smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1sc(NC(=O)/C=C\c2cnn(C)c2C)c(C#N)c1C	ZINC000096609393	728481203	/nfs/dbraw/zinc/48/12/03/728481203.db2.gz	FMGGRXWYQKPZBL-SREVYHEPSA-N	0	0	358.423	2.799	10	30		FFEERN
CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl	ZINC000247323130	729596284	/nfs/dbraw/zinc/59/62/84/729596284.db2.gz	XAKIDELCSPXKGT-JHJVBQTASA-N	0	0	366.820	2.834	10	30		FFEERN
C[C@@H]1CN(C(=O)NC2CCC(C(F)(F)F)CC2)C[C@]2(CCOC2)O1	ZINC000329942792	729799415	/nfs/dbraw/zinc/79/94/15/729799415.db2.gz	VVIHTJZZTICJRU-LPXQKFACSA-N	0	0	350.381	2.901	10	30		FFEERN
C#CCOc1ccccc1NC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1	ZINC000588513628	966388903	/nfs/dbraw/zinc/38/89/03/966388903.db2.gz	YYPNMFJORGAXHT-RAXLEYEMSA-N	0	0	370.430	2.722	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@H]1CCOc2ccccc21	ZINC000329157875	967527914	/nfs/dbraw/zinc/52/79/14/967527914.db2.gz	WOSLVJVQEUBDGC-IRXDYDNUSA-N	0	0	370.453	2.848	10	30		FFEERN
O=C(N[C@@H]1CCCN(c2ccccc2)C1)N1CCn2c(nnc2C2CC2)C1	ZINC000329319590	967641098	/nfs/dbraw/zinc/64/10/98/967641098.db2.gz	GDCJBYSLMBKDNY-MRXNPFEDSA-N	0	0	366.469	2.554	10	30		FFEERN
CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)nn1	ZINC000329431441	967702657	/nfs/dbraw/zinc/70/26/57/967702657.db2.gz	HQMOGXWBJMVFAM-SVKDINBCSA-N	0	0	374.485	2.774	10	30		FFEERN
COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2C)c1	ZINC000102119219	1005021940	/nfs/dbraw/zinc/02/19/40/1005021940.db2.gz	YNYMAWGUCGZHSC-MRXNPFEDSA-N	0	0	353.334	2.873	10	30		FFEERN
C=CCc1cc(OC)ccc1OC(=O)/C=C/c1cncc(C(=O)NC)c1	ZINC000110176768	1005910913	/nfs/dbraw/zinc/91/09/13/1005910913.db2.gz	ALKLUUJPKKZHJP-RMKNXTFCSA-N	0	0	352.390	2.797	10	30		FFEERN
Cc1cccc(NC(=O)[C@@H]2CC(=O)N=C(NN=Cc3ccccc3)S2)c1	ZINC000006217087	204241520	/nfs/dbraw/zinc/24/15/20/204241520.db2.gz	IGRZOGZKQMGXHP-DORSJAEJSA-N	0	0	366.446	2.945	10	30		FFEERN
COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1OC	ZINC000062159745	249611655	/nfs/dbraw/zinc/61/16/55/249611655.db2.gz	YHLSFQMGSKFLBC-CQSZACIVSA-N	0	0	365.389	2.567	10	30		FFEERN
N#Cc1ccc2ncc(CN3CCCC[C@H]3c3nnc4n3CCCC4)n2c1	ZINC000092811986	250002562	/nfs/dbraw/zinc/00/25/62/250002562.db2.gz	KZMSUQFNAOMRAH-KRWDZBQOSA-N	0	0	361.453	2.861	10	30		FFEERN
CCc1noc([C@H](C)N2CCN(Cc3cn4ccccc4c3C#N)CC2)n1	ZINC000106138248	250244900	/nfs/dbraw/zinc/24/49/00/250244900.db2.gz	OWXKBPTZBJINNB-HNNXBMFYSA-N	0	0	364.453	2.635	10	30		FFEERN
N#Cc1cnc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cn1	ZINC000106465322	250270996	/nfs/dbraw/zinc/27/09/96/250270996.db2.gz	FZYOJZSTMMRJFB-CYBMUJFWSA-N	0	0	350.357	2.921	10	30		FFEERN
N#Cc1ccc(C(=O)NCC(=O)N2CC=C(c3cccs3)CC2)cc1	ZINC000117989727	250368169	/nfs/dbraw/zinc/36/81/69/250368169.db2.gz	FCQJMEQWOKFOFX-UHFFFAOYSA-N	0	0	351.431	2.665	10	30		FFEERN
CCO[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2)C12CCCC2	ZINC000119084322	250430796	/nfs/dbraw/zinc/43/07/96/250430796.db2.gz	BXNKUPHRLDSOIR-IRXDYDNUSA-N	0	0	355.438	2.693	10	30		FFEERN
CN1C(=O)C[C@@H](C(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1	ZINC000130387482	250902362	/nfs/dbraw/zinc/90/23/62/250902362.db2.gz	ULZXDCORVGNDJZ-MJGOQNOKSA-N	0	0	351.381	2.533	10	30		FFEERN
Cc1cc(N2CC[C@H](N3CCOCC3)C2)n2c3ccccc3nc2c1C#N	ZINC000301471486	258051251	/nfs/dbraw/zinc/05/12/51/258051251.db2.gz	TWTOITXNMSFPOB-INIZCTEOSA-N	0	0	361.449	2.579	10	30		FFEERN
Cc1cc(C)c2ncc(C#N)c(N3C[C@H](N4CCOCC4)[C@@H](C)C3)c2c1	ZINC000301535099	258054160	/nfs/dbraw/zinc/05/41/60/258054160.db2.gz	AGMDYODLVQOPDE-LPHOPBHVSA-N	0	0	350.466	2.880	10	30		FFEERN
N#Cc1cc(I)c([N+](=O)[O-])cc1Br	ZINC000575691803	518248866	/nfs/dbraw/zinc/24/88/66/518248866.db2.gz	HWXOBUBATQEWLW-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
N#Cc1ccc(I)c(Br)c1[N+](=O)[O-]	ZINC000575691414	518249825	/nfs/dbraw/zinc/24/98/25/518249825.db2.gz	DBIJHWVEEKKBHP-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
COc1ccccc1C(=O)N[C@H](C(=O)NCC#Cc1ccccc1)C(C)C	ZINC000055316325	506724948	/nfs/dbraw/zinc/72/49/48/506724948.db2.gz	PWGZXUFZSIHLGQ-FQEVSTJZSA-N	0	0	364.445	2.618	10	30		FFEERN
CC1CCC(C#N)(NS(=O)(=O)c2cncc(Br)c2)CC1	ZINC000044243164	506822173	/nfs/dbraw/zinc/82/21/73/506822173.db2.gz	HSTBQFKRYRQREA-UHFFFAOYSA-N	0	0	358.261	2.595	10	30		FFEERN
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCN(C)c2ccccc21	ZINC000056046473	506917726	/nfs/dbraw/zinc/91/77/26/506917726.db2.gz	OICYQNMDBWMIPJ-INIZCTEOSA-N	0	0	365.433	2.686	10	30		FFEERN
CCN(C[C@H](C)C#N)C(=O)C1CCC(C(=O)N(CC)C[C@H](C)C#N)CC1	ZINC000056410149	507007808	/nfs/dbraw/zinc/00/78/08/507007808.db2.gz	MRMICUSYSGMKQR-MRLCAUJQSA-N	0	0	360.502	2.809	10	30		FFEERN
NC(=O)[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2F)C[C@H]1C(F)(F)F	ZINC000375416754	512315109	/nfs/dbraw/zinc/31/51/09/512315109.db2.gz	SKUYGLSNGWJNIX-RKDXNWHRSA-N	0	0	372.240	2.580	10	30		FFEERN
O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccc(F)cc1	ZINC000015919961	507066437	/nfs/dbraw/zinc/06/64/37/507066437.db2.gz	IYGWMZZZSHQTRL-INIZCTEOSA-N	0	0	359.328	2.535	10	30		FFEERN
N#Cc1ccc(CNC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1	ZINC000046046867	507067899	/nfs/dbraw/zinc/06/78/99/507067899.db2.gz	LHVUPGBLPYQPOQ-KRWDZBQOSA-N	0	0	360.421	2.690	10	30		FFEERN
C[C@@H](O)C/N=C1/N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S1	ZINC000020550534	507225061	/nfs/dbraw/zinc/22/50/61/507225061.db2.gz	WHPRMEQOEQKFGM-QTVDBSQPSA-N	0	0	372.416	2.667	10	30		FFEERN
C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1	ZINC000029780207	507790115	/nfs/dbraw/zinc/79/01/15/507790115.db2.gz	MGHOPQQBPDIERH-KGLIPLIRSA-N	0	0	372.446	2.606	10	30		FFEERN
C[C@H](NC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1C#N)c1ccccc1	ZINC000072614723	507831005	/nfs/dbraw/zinc/83/10/05/507831005.db2.gz	RANBITIAEOPPIS-RYUDHWBXSA-N	0	0	351.435	2.765	10	30		FFEERN
COC(=O)[C@@H]1CCCCN1CC(=O)c1cn(CCC#N)c2ccccc12	ZINC000078779769	507906518	/nfs/dbraw/zinc/90/65/18/507906518.db2.gz	JGAOHVXQVWYSSS-SFHVURJKSA-N	0	0	353.422	2.765	10	30		FFEERN
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1cscn1	ZINC000108612593	507908717	/nfs/dbraw/zinc/90/87/17/507908717.db2.gz	HJZURXOTQVLVCX-NSHDSACASA-N	0	0	360.464	2.650	10	30		FFEERN
Cn1ncnc1NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1	ZINC000091185389	507963570	/nfs/dbraw/zinc/96/35/70/507963570.db2.gz	QUXAZNPTZWCOQF-CQSZACIVSA-N	0	0	351.414	2.630	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCC(N(C)c2cccnn2)CC1	ZINC000109641712	507974320	/nfs/dbraw/zinc/97/43/20/507974320.db2.gz	CLLVNRYMWUBGPI-UHFFFAOYSA-N	0	0	352.438	2.782	10	30		FFEERN
CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1C[C@H]1C	ZINC000075515303	508113136	/nfs/dbraw/zinc/11/31/36/508113136.db2.gz	SEXTXRGNRSYUSC-SKDRFNHKSA-N	0	0	353.216	2.623	10	30		FFEERN
COC(=O)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccccc1	ZINC000075696252	508129582	/nfs/dbraw/zinc/12/95/82/508129582.db2.gz	NMFVXIZENNQDAL-PBHICJAKSA-N	0	0	352.390	2.746	10	30		FFEERN
COC(=O)[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1	ZINC000083047863	508234746	/nfs/dbraw/zinc/23/47/46/508234746.db2.gz	YWKCOVGBAOYJMN-ORAYPTAESA-N	0	0	352.390	2.894	10	30		FFEERN
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2[C@H](C)COC[C@H]2C)c1C#N	ZINC000077366589	508306280	/nfs/dbraw/zinc/30/62/80/508306280.db2.gz	JEDOZPXVLWMOQY-ZIAGYGMSSA-N	0	0	370.453	2.666	10	30		FFEERN
COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)CCCCC#N)c1	ZINC000104108387	508328544	/nfs/dbraw/zinc/32/85/44/508328544.db2.gz	BDPPIFLMTBBHMB-MRXNPFEDSA-N	0	0	352.456	2.864	10	30		FFEERN
COc1cc2c(Cl)c(C#N)cnc2cc1OCCCN1CCOCC1	ZINC000089157277	508390088	/nfs/dbraw/zinc/39/00/88/508390088.db2.gz	PKRCOKRBEJMDCG-UHFFFAOYSA-N	0	0	361.829	2.870	10	30		FFEERN
CCOc1cc(C)nc(N2CCN(Cc3cc(C#N)ccc3F)CC2)n1	ZINC000106153768	508396457	/nfs/dbraw/zinc/39/64/57/508396457.db2.gz	GCUZLHIMLLAPAT-UHFFFAOYSA-N	0	0	355.417	2.517	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)N(CCC)C[C@H]3CCCCO3)cc2C1=O	ZINC000106695464	508403697	/nfs/dbraw/zinc/40/36/97/508403697.db2.gz	AEJGQFSCVBVENM-MRXNPFEDSA-N	0	0	370.449	2.890	10	30		FFEERN
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCc2ncnn2C1	ZINC000122291227	508513351	/nfs/dbraw/zinc/51/33/51/508513351.db2.gz	GRPWLNQGIPLHOG-LBPRGKRZSA-N	0	0	366.343	2.607	10	30		FFEERN
C=C(C)COc1cc(CN2CCO[C@H](Cn3cccn3)C2)ccc1OC	ZINC000122331791	508518918	/nfs/dbraw/zinc/51/89/18/508518918.db2.gz	BFUMZTRNEVLSGG-SFHVURJKSA-N	0	0	357.454	2.748	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2CCC(c3ccnn3CCO)CC2)c1	ZINC000152838072	508523253	/nfs/dbraw/zinc/52/32/53/508523253.db2.gz	NQULIUOONNNDSR-UHFFFAOYSA-N	0	0	370.453	2.852	10	30		FFEERN
C=CCOc1ccc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1OC	ZINC000122599780	508559984	/nfs/dbraw/zinc/55/99/84/508559984.db2.gz	NYJSCPOFPVIOSU-LJQANCHMSA-N	0	0	371.481	2.974	10	30		FFEERN
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCn2nc(COC)nc21	ZINC000153235148	508561944	/nfs/dbraw/zinc/56/19/44/508561944.db2.gz	NDTROPRECBGRHM-QGZVFWFLSA-N	0	0	369.469	2.700	10	30		FFEERN
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1nnc2n1CCCC2	ZINC000153470573	508586612	/nfs/dbraw/zinc/58/66/12/508586612.db2.gz	HLGNXABRSZMTJU-CQSZACIVSA-N	0	0	355.417	2.660	10	30		FFEERN
CCc1nccn1[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2C)C1	ZINC000128477721	508598523	/nfs/dbraw/zinc/59/85/23/508598523.db2.gz	FQIMCRFYYVNNOS-INIZCTEOSA-N	0	0	358.467	2.651	10	30		FFEERN
CN1C(=O)C[C@H](C(=O)NCc2cc(C#N)ccc2F)[C@@H]1c1ccc(F)cc1	ZINC000136182430	508677365	/nfs/dbraw/zinc/67/73/65/508677365.db2.gz	CQGBUTOGAPTNNB-LPHOPBHVSA-N	0	0	369.371	2.672	10	30		FFEERN
COCCCNC(=O)Nc1snc(-c2ccc([N+](=O)[O-])cc2)c1C#N	ZINC000145698968	508846369	/nfs/dbraw/zinc/84/63/69/508846369.db2.gz	WFWWKAUKRCZJJW-UHFFFAOYSA-N	0	0	361.383	2.748	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N1CCC(Nc2cccnn2)CC1	ZINC000154971284	508895130	/nfs/dbraw/zinc/89/51/30/508895130.db2.gz	FXKOLKQFDUXJOX-UHFFFAOYSA-N	0	0	367.453	2.828	10	30		FFEERN
N#Cc1ccccc1NC(=O)CCCC(=O)N1CCO[C@H]2CCCC[C@@H]21	ZINC000151098106	508955597	/nfs/dbraw/zinc/95/55/97/508955597.db2.gz	QMBIYKKQEHRLJB-ROUUACIJSA-N	0	0	355.438	2.837	10	30		FFEERN
C=C(C)COCCNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000132653345	509057720	/nfs/dbraw/zinc/05/77/20/509057720.db2.gz	FSGRGJSEADTILS-ONUXSRJRSA-N	0	0	374.525	2.903	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](c2nncn2CC)C1	ZINC000132854176	509083654	/nfs/dbraw/zinc/08/36/54/509083654.db2.gz	ALCIRCCFPWNUHC-OAHLLOKOSA-N	0	0	370.453	2.891	10	30		FFEERN
N#CCCCOc1cccnc1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O	ZINC000188706086	509224169	/nfs/dbraw/zinc/22/41/69/509224169.db2.gz	XGJPDNXDGWSETB-WBVHZDCISA-N	0	0	352.394	2.544	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCCOc1ccc(C#N)cc1	ZINC000175979246	509253613	/nfs/dbraw/zinc/25/36/13/509253613.db2.gz	LJVUEGDQHDWQTE-GOSISDBHSA-N	0	0	367.453	2.834	10	30		FFEERN
CN(C(=O)c1cccc(SCC#N)c1)[C@H]1CCCN(c2cccnn2)C1	ZINC000175986238	509256418	/nfs/dbraw/zinc/25/64/18/509256418.db2.gz	RJUIWSMEMJMUTK-INIZCTEOSA-N	0	0	367.478	2.833	10	30		FFEERN
Cc1ccc([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)o1	ZINC000182576360	509312559	/nfs/dbraw/zinc/31/25/59/509312559.db2.gz	ZGZACWGYZZUJTK-CVEARBPZSA-N	0	0	372.494	2.709	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(C#N)cs3)C[C@@H]12	ZINC000248610373	509389581	/nfs/dbraw/zinc/38/95/81/509389581.db2.gz	QCWHBEWFUVBURS-MGPQQGTHSA-N	0	0	361.467	2.995	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000189082877	509403239	/nfs/dbraw/zinc/40/32/39/509403239.db2.gz	XWDGMQUQUYVGSR-QGZVFWFLSA-N	0	0	365.437	2.519	10	30		FFEERN
N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[C@H]3C3CCCCC3)C2=O)cc1	ZINC000248691778	509436394	/nfs/dbraw/zinc/43/63/94/509436394.db2.gz	ALFQQPSLMRRRSK-UFYCRDLUSA-N	0	0	365.477	2.992	10	30		FFEERN
C=CCCO[C@H](C)C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1	ZINC000176526118	509563518	/nfs/dbraw/zinc/56/35/18/509563518.db2.gz	AXVOFALXVSAYIZ-CVEARBPZSA-N	0	0	352.500	2.561	10	30		FFEERN
Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3)C2)n1	ZINC000173384149	509565125	/nfs/dbraw/zinc/56/51/25/509565125.db2.gz	RRBDSXUEPLBXOA-AWEZNQCLSA-N	0	0	354.435	2.668	10	30		FFEERN
CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)Cc1ccc(C#N)cc1	ZINC000176541083	509571528	/nfs/dbraw/zinc/57/15/28/509571528.db2.gz	NKINCYLTCNOSIY-GOSISDBHSA-N	0	0	369.490	2.694	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1nnc2n1CCCC2	ZINC000173626556	509682239	/nfs/dbraw/zinc/68/22/39/509682239.db2.gz	KDUUKDZXIQAGHX-CABCVRRESA-N	0	0	373.526	2.930	10	30		FFEERN
C[C@H]1CCC[C@@](C#N)(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)C1	ZINC000173793937	509781136	/nfs/dbraw/zinc/78/11/36/509781136.db2.gz	IHRLQVOZDKEYNV-MGPUTAFESA-N	0	0	354.454	2.522	10	30		FFEERN
Cc1nc(C[C@H]2CCCN(CC(=O)Nc3sc(C)c(C)c3C#N)C2)no1	ZINC000177093443	509867980	/nfs/dbraw/zinc/86/79/80/509867980.db2.gz	GHLFVEKTDZQTPI-CQSZACIVSA-N	0	0	373.482	2.821	10	30		FFEERN
C=CCO[C@@H]1[C@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1OCC=C	ZINC000255972000	509941812	/nfs/dbraw/zinc/94/18/12/509941812.db2.gz	FMKYMGOFTWEBLP-XVMXLUHGSA-N	0	0	362.422	2.614	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3sccc3C#N)C[C@H]12	ZINC000183981072	510069727	/nfs/dbraw/zinc/06/97/27/510069727.db2.gz	NJKFZXCELQXPBU-HZSPNIEDSA-N	0	0	361.467	2.995	10	30		FFEERN
C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCn3ncnc32)cc1OC	ZINC000177562226	510135330	/nfs/dbraw/zinc/13/53/30/510135330.db2.gz	SSSUIMUXLAUGIQ-LOWQCSRCSA-N	0	0	354.410	2.516	10	30		FFEERN
Cc1ccc(OC2CCN(C(=O)c3ccccc3OCC#N)CC2)nc1	ZINC000181201336	510299894	/nfs/dbraw/zinc/29/98/94/510299894.db2.gz	ZXVDRHZWLPKBPL-UHFFFAOYSA-N	0	0	351.406	2.976	10	30		FFEERN
N#Cc1ccc(SCC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1	ZINC000187670865	510379537	/nfs/dbraw/zinc/37/95/37/510379537.db2.gz	VBIGTFVGPHGQHT-RDJZCZTQSA-N	0	0	358.488	2.946	10	30		FFEERN
N#Cc1ccccc1-c1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1	ZINC000187755127	510420143	/nfs/dbraw/zinc/42/01/43/510420143.db2.gz	WMTOXHAWBKLHJS-UHFFFAOYSA-N	0	0	374.444	2.645	10	30		FFEERN
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CCCn2ncnc21	ZINC000187874853	510480711	/nfs/dbraw/zinc/48/07/11/510480711.db2.gz	MYMZVKGYYSWTNC-INIZCTEOSA-N	0	0	367.453	2.720	10	30		FFEERN
C#CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CCCC1	ZINC000246532850	510542104	/nfs/dbraw/zinc/54/21/04/510542104.db2.gz	UXGFXAUNDJORHS-FXAWDEMLSA-N	0	0	354.498	2.879	10	30		FFEERN
COc1ccc([C@@H](C)NS(=O)(=O)c2cc(C#N)ccc2C)cc1OC	ZINC000172179532	510586599	/nfs/dbraw/zinc/58/65/99/510586599.db2.gz	DBNBOHAJADWRKD-CYBMUJFWSA-N	0	0	360.435	2.923	10	30		FFEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CC=C(c2ccc(O)cc2)CC1	ZINC000178501691	510634576	/nfs/dbraw/zinc/63/45/76/510634576.db2.gz	CEVCYCZEJVVHLJ-UHFFFAOYSA-N	0	0	358.394	2.881	10	30		FFEERN
COc1ccc([C@@H](C)NS(=O)(=O)c2cccc(C)c2C#N)cc1OC	ZINC000178515029	510640741	/nfs/dbraw/zinc/64/07/41/510640741.db2.gz	FVJBAUVYQTXQLD-CYBMUJFWSA-N	0	0	360.435	2.923	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000178551205	510658099	/nfs/dbraw/zinc/65/80/99/510658099.db2.gz	XCFXAMVXUOJWRQ-MRXNPFEDSA-N	0	0	355.419	2.907	10	30		FFEERN
C=CCSCCNC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1	ZINC000178614613	510687028	/nfs/dbraw/zinc/68/70/28/510687028.db2.gz	QZWINEYFCLECNZ-OAHLLOKOSA-N	0	0	369.556	2.648	10	30		FFEERN
N#CCCn1cc(C(=O)CN2CCS[C@H]3COCC[C@H]32)c2ccccc21	ZINC000246956546	510767513	/nfs/dbraw/zinc/76/75/13/510767513.db2.gz	OBSFZCFVDPJRNN-QUCCMNQESA-N	0	0	369.490	2.944	10	30		FFEERN
C[C@H]1CN([C@H](CNC(=O)Cc2ccc(C#N)cc2)c2cccs2)CCO1	ZINC000247029881	510807577	/nfs/dbraw/zinc/80/75/77/510807577.db2.gz	SJXKDUUUOOWXNX-MAUKXSAKSA-N	0	0	369.490	2.740	10	30		FFEERN
C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)C1	ZINC000247543924	510864962	/nfs/dbraw/zinc/86/49/62/510864962.db2.gz	RHOUMCHHXNTPJO-OLPIVMHESA-N	0	0	356.470	2.897	10	30		FFEERN
CO[C@H]1C[C@H](C(=O)NCC(C)(C)C2=CCCCC2)N(S(C)(=O)=O)C1	ZINC000329915649	510877509	/nfs/dbraw/zinc/87/75/09/510877509.db2.gz	YLAVNPSRCOWAIC-LSDHHAIUSA-N	0	0	358.504	2.518	10	30		FFEERN
CC(C)n1ncc2c1C[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)CC2	ZINC000329945587	510884361	/nfs/dbraw/zinc/88/43/61/510884361.db2.gz	JDWCYNNLPSYJLP-SOLBZPMBSA-N	0	0	357.458	2.789	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1ccnc(N2CCCC2)c1	ZINC000330044780	510904925	/nfs/dbraw/zinc/90/49/25/510904925.db2.gz	FWMGBWDLEBLWGA-CRAIPNDOSA-N	0	0	355.442	2.650	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1CCC2(C[C@@H]2N(C)Cc2nccs2)CC1	ZINC000330239909	510944317	/nfs/dbraw/zinc/94/43/17/510944317.db2.gz	FAUDWFJJUDBTRG-KFWWJZLASA-N	0	0	364.515	2.521	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1	ZINC000330251532	510948286	/nfs/dbraw/zinc/94/82/86/510948286.db2.gz	HSLSWQIKVXDFJA-YUELXQCFSA-N	0	0	364.446	2.582	10	30		FFEERN
C[C@]1(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CCCNC1=O	ZINC000330296989	510959002	/nfs/dbraw/zinc/95/90/02/510959002.db2.gz	GPURIBJVLKAMLJ-JXFKEZNVSA-N	0	0	357.454	2.933	10	30		FFEERN
CC(=O)N(Cc1cncnc1)[C@H]1CCCN(C(=O)NCC2CCCC2)CC1	ZINC000328623195	511895825	/nfs/dbraw/zinc/89/58/25/511895825.db2.gz	BSAQCFKNCPFCSC-IBGZPJMESA-N	0	0	373.501	2.784	10	30		FFEERN
CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)N[C@H]2C=CCCC2)CC1	ZINC000328625397	511898568	/nfs/dbraw/zinc/89/85/68/511898568.db2.gz	DDKLQHKNRFJTIP-DOTOQJQBSA-N	0	0	369.531	2.678	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@H](C)[C@H](n3ccnc3)C1)CCC2	ZINC000328692342	511915839	/nfs/dbraw/zinc/91/58/39/511915839.db2.gz	FHACNFAEOOXJCL-BHYGNILZSA-N	0	0	356.474	2.763	10	30		FFEERN
CC(C)C(=O)N1CCC(NC(=O)N2CCC(c3nccs3)CC2)CC1	ZINC000328718895	511921209	/nfs/dbraw/zinc/92/12/09/511921209.db2.gz	FZZPFKRITQVNEJ-UHFFFAOYSA-N	0	0	364.515	2.884	10	30		FFEERN
Cc1noc(C2CCC(NC(=O)N[C@@H]3CCC(=O)NC34CCC4)CC2)n1	ZINC000328728869	511921697	/nfs/dbraw/zinc/92/16/97/511921697.db2.gz	FCSSAHIAKOECIK-JXQTWKCFSA-N	0	0	361.446	2.949	10	30		FFEERN
CC[C@H](C)n1ncc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1C1CC1	ZINC000328978110	511959247	/nfs/dbraw/zinc/95/92/47/511959247.db2.gz	QSKXHIHZZTUMRF-RRQGHBQHSA-N	0	0	361.490	2.682	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)[C@@H]1CCCN1C(=O)c1cccs1	ZINC000329096970	511981864	/nfs/dbraw/zinc/98/18/64/511981864.db2.gz	BYWJRRGLKGDLNZ-GLJUWKHASA-N	0	0	364.467	2.647	10	30		FFEERN
C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCCCO1	ZINC000329098523	511983201	/nfs/dbraw/zinc/98/32/01/511983201.db2.gz	YVDHANQLSVKPST-OUENDJJVSA-N	0	0	354.397	2.944	10	30		FFEERN
Cc1sc(Br)c(C(=O)N[C@H]2COC[C@H]2n2ccnn2)c1C	ZINC000329134926	511990030	/nfs/dbraw/zinc/99/00/30/511990030.db2.gz	QHBMRYFNUMCGAY-VHSXEESVSA-N	0	0	371.260	2.664	10	30		FFEERN
Cc1noc([C@H](NC(=O)NCC2C[C@H](C)O[C@@H](C)C2)C2CCOCC2)n1	ZINC000329157106	511994347	/nfs/dbraw/zinc/99/43/47/511994347.db2.gz	CGAVDYKXLMPSQX-MQIPJXDCSA-N	0	0	366.462	2.553	10	30		FFEERN
CCC[C@H](NC(=O)[C@@H](C)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1	ZINC000329184341	512001206	/nfs/dbraw/zinc/00/12/06/512001206.db2.gz	PDRKLAXUSOTHQF-LAVFITLUSA-N	0	0	364.511	2.992	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1c1nccs1	ZINC000329203982	512004023	/nfs/dbraw/zinc/00/40/23/512004023.db2.gz	WNPMKLYLHKNOQG-NWANDNLSSA-N	0	0	361.471	2.580	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CCC([C@H]2CCCO2)CC1	ZINC000329248511	512014203	/nfs/dbraw/zinc/01/42/03/512014203.db2.gz	WQZFDKNXSZPTPF-BBWFWOEESA-N	0	0	362.474	2.538	10	30		FFEERN
CC(C)c1nnc2n1C[C@@H]([NH+]=C([O-])N1CCC(c3nccs3)CC1)CC2	ZINC000329341440	512030142	/nfs/dbraw/zinc/03/01/42/512030142.db2.gz	OZEPPJDPKXKDCR-AWEZNQCLSA-N	0	0	374.514	2.966	10	30		FFEERN
CC[C@]1(C)CCCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1	ZINC000329350341	512031653	/nfs/dbraw/zinc/03/16/53/512031653.db2.gz	SYXVPMYPEYMCMH-XFQXTVEOSA-N	0	0	373.501	2.651	10	30		FFEERN
C[C@@H]1OCC[C@]12CN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)C[C@@H](C)O2	ZINC000329357234	512032901	/nfs/dbraw/zinc/03/29/01/512032901.db2.gz	HGHZHVUVDQJKMS-PLYMZZPJSA-N	0	0	367.490	2.702	10	30		FFEERN
CC[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn(CCOC)nc32)CCS1	ZINC000329521582	512063615	/nfs/dbraw/zinc/06/36/15/512063615.db2.gz	OYSREELVJNBKTP-HUUCEWRRSA-N	0	0	352.504	2.648	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C[C@H]21	ZINC000329582923	512072600	/nfs/dbraw/zinc/07/26/00/512072600.db2.gz	QKZNCXCRYBKLEG-CHWSQXEVSA-N	0	0	364.515	2.707	10	30		FFEERN
Cn1cc(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)c([C@@H]2CCOC2)n1	ZINC000329845708	512103392	/nfs/dbraw/zinc/10/33/92/512103392.db2.gz	LXZQPHPBEFTVCB-ZIAGYGMSSA-N	0	0	371.485	2.738	10	30		FFEERN
CO[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)N(S(C)(=O)=O)C1	ZINC000329849593	512103766	/nfs/dbraw/zinc/10/37/66/512103766.db2.gz	NVFWSDRNDKBWFT-LVQVYYBASA-N	0	0	374.547	2.987	10	30		FFEERN
C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@H]1O	ZINC000408088054	512997352	/nfs/dbraw/zinc/99/73/52/512997352.db2.gz	DECNBZITKBHCAM-AGERRDQYSA-N	0	0	357.454	2.661	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCn4cccc4[C@@H]3C)C2)n1	ZINC000408285525	513037940	/nfs/dbraw/zinc/03/79/40/513037940.db2.gz	GGVSXKZEYMLYHM-FUHWJXTLSA-N	0	0	363.465	2.883	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCn4cccc4[C@H]3C)C2)n1	ZINC000408285521	513038275	/nfs/dbraw/zinc/03/82/75/513038275.db2.gz	GGVSXKZEYMLYHM-AEFFLSMTSA-N	0	0	363.465	2.883	10	30		FFEERN
COC(=O)c1c(I)ccc(C#N)c1OC(F)(F)F	ZINC000575392813	518210215	/nfs/dbraw/zinc/21/02/15/518210215.db2.gz	ZAOZIKRHKAOGEV-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
CC(N=Nc1ccccc1)[C@]1(C)N(O)C(C)(C)C(C2=S=CC=C2)=[N+]1[O-]	ZINC000575418149	518215785	/nfs/dbraw/zinc/21/57/85/518215785.db2.gz	BXGLBTXBBGELKR-UZNZLNSGSA-N	0	0	359.475	2.794	10	30		FFEERN
N#CCc1c(I)cc(OC(F)F)cc1[N+](=O)[O-]	ZINC000575665474	518245124	/nfs/dbraw/zinc/24/51/24/518245124.db2.gz	DLBUHNNGNLKQLJ-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
N#CCc1c(OC(F)F)ccc(I)c1[N+](=O)[O-]	ZINC000575667168	518245652	/nfs/dbraw/zinc/24/56/52/518245652.db2.gz	MNASCYGWDLUVAP-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
COc1cc(C=NN2C(=S)N=NC2COc2ccccc2)ccc1O	ZINC000001475905	522010383	/nfs/dbraw/zinc/01/03/83/522010383.db2.gz	FKSYNCHVNVMPMV-ZDLGFXPLSA-N	0	0	356.407	2.742	10	30		FFEERN
O=C(Cc1sc(NN=Cc2cccs2)nc1O)Nc1ccccc1	ZINC000006864346	527186497	/nfs/dbraw/zinc/18/64/97/527186497.db2.gz	PAQSSWRSBNXPOH-OMJMQIJPSA-N	0	0	358.448	2.698	10	30		FFEERN
[O-]C(NC[C@H]1CCc2nc(C(F)(F)F)cn2C1)=[NH+]Cc1cscn1	ZINC000328639295	527586166	/nfs/dbraw/zinc/58/61/66/527586166.db2.gz	WWLMOZBLOJZOPP-SECBINFHSA-N	0	0	359.377	2.625	10	30		FFEERN
C=C(Br)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1	ZINC000155138272	728821352	/nfs/dbraw/zinc/82/13/52/728821352.db2.gz	CLQGUMIYQDSBHQ-UHFFFAOYSA-N	0	0	361.287	2.899	10	30		FFEERN
C#Cc1cccc(N(C)C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)c1	ZINC000103029571	728493806	/nfs/dbraw/zinc/49/38/06/728493806.db2.gz	BEGAGNVBKUUJOY-SFHVURJKSA-N	0	0	352.459	2.926	10	30		FFEERN
C=CCn1c(-c2ccco2)nn(CN2CCC[C@@H](C(=O)OC)C2)c1=S	ZINC000151631056	728746172	/nfs/dbraw/zinc/74/61/72/728746172.db2.gz	VCNUITUGOSXINW-CYBMUJFWSA-N	0	0	362.455	2.703	10	30		FFEERN
C=CCOC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1	ZINC000194186316	729502447	/nfs/dbraw/zinc/50/24/47/729502447.db2.gz	BDZKIYWDDOMTON-HNNXBMFYSA-N	0	0	363.460	2.593	10	30		FFEERN
CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc2nc[nH]c(=O)c2c1	ZINC000328824043	729795320	/nfs/dbraw/zinc/79/53/20/729795320.db2.gz	GWLYIOOTKNEPFP-HZMBPMFUSA-N	0	0	360.439	2.871	10	30		FFEERN
C[C@@H]1OCC[C@]12CN(C(=O)NC1CCC(C(F)(F)F)CC1)CCO2	ZINC000329937515	729799513	/nfs/dbraw/zinc/79/95/13/729799513.db2.gz	LPDLSNOCCGSTEN-CLTVBZQCSA-N	0	0	350.381	2.901	10	30		FFEERN
Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)cc1N1CCCS1(=O)=O	ZINC000330240406	729800562	/nfs/dbraw/zinc/80/05/62/729800562.db2.gz	IRVRDHFQBIUXLX-GDBMZVCRSA-N	0	0	363.483	2.955	10	30		FFEERN
CCC1CCC(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1	ZINC000329228038	967567213	/nfs/dbraw/zinc/56/72/13/967567213.db2.gz	ILQKVXOGXQGPGR-ABHNRTSZSA-N	0	0	365.518	2.625	10	30		FFEERN
CCc1nc2n(n1)C[C@@H](NC(=O)c1cn(C)nc1C1CCCCC1)CC2	ZINC000329317352	967643003	/nfs/dbraw/zinc/64/30/03/967643003.db2.gz	SNAUORMJFIRHJN-AWEZNQCLSA-N	0	0	356.474	2.941	10	30		FFEERN
CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)nn1	ZINC000329431442	967702780	/nfs/dbraw/zinc/70/27/80/967702780.db2.gz	HQMOGXWBJMVFAM-WYYIDSOPSA-N	0	0	374.485	2.774	10	30		FFEERN
Cn1cnc2c(c1=O)CCN(C([O-])=[NH+]C1CC(c3cccc(Cl)c3)C1)C2	ZINC000330047149	970245347	/nfs/dbraw/zinc/24/53/47/970245347.db2.gz	HMXPGEMXWMAGME-UHFFFAOYSA-N	0	0	372.856	2.652	10	30		FFEERN
C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)c1	ZINC000106637639	976264418	/nfs/dbraw/zinc/26/44/18/976264418.db2.gz	GMSZTASGUMVDOO-WOJBJXKFSA-N	0	0	362.429	2.559	10	30		FFEERN
C#CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)cc1	ZINC000108187772	977867893	/nfs/dbraw/zinc/86/78/93/977867893.db2.gz	SYYQLTMCTKQCHI-SFHVURJKSA-N	0	0	368.458	2.932	10	30		FFEERN
C#CCOc1cccc(NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)c1	ZINC000108289890	978414660	/nfs/dbraw/zinc/41/46/60/978414660.db2.gz	BWDSHRAYUHPUTM-MRXNPFEDSA-N	0	0	370.355	2.968	10	30		FFEERN
CCCC(C#N)(CCC)NC(=O)C1CCN(c2nccc(OC)n2)CC1	ZINC000121501137	979625081	/nfs/dbraw/zinc/62/50/81/979625081.db2.gz	PHTHBGAYFLFELA-UHFFFAOYSA-N	0	0	359.474	2.680	10	30		FFEERN
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000102120281	1005031027	/nfs/dbraw/zinc/03/10/27/1005031027.db2.gz	VFALILBRAHYCRJ-CQSZACIVSA-N	0	0	353.334	2.873	10	30		FFEERN
C=CC[C@H]([NH3+])[C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000071613379	203797983	/nfs/dbraw/zinc/79/79/83/203797983.db2.gz	QTXGYCSWOPTKNC-OALUTQOASA-N	0	0	351.402	2.946	10	30		FFEERN
CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000005163569	204195204	/nfs/dbraw/zinc/19/52/04/204195204.db2.gz	WIBPYWUHVBQUOF-GZTJUZNOSA-N	0	0	363.395	2.614	10	30		FFEERN
CC(=O)Nc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1	ZINC000039963117	205048239	/nfs/dbraw/zinc/04/82/39/205048239.db2.gz	RDLIPUOOAXIPEV-UHFFFAOYSA-N	0	0	364.430	2.971	10	30		FFEERN
Cc1ccc(Cl)cc1Nc1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-]	ZINC000040592563	205074216	/nfs/dbraw/zinc/07/42/16/205074216.db2.gz	JFGHQKKNYGXURY-UHFFFAOYSA-N	0	0	357.761	2.944	10	30		FFEERN
Cc1nnc([C@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)c2ccccc2)[nH]1	ZINC000103281246	250142729	/nfs/dbraw/zinc/14/27/29/250142729.db2.gz	KLNPCSGCVDGSFU-FZKQIMNGSA-N	0	0	361.405	2.658	10	30		FFEERN
C[C@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCS1	ZINC000131834389	251022948	/nfs/dbraw/zinc/02/29/48/251022948.db2.gz	OLVBOSCZFQPVQQ-JEYLPNPQSA-N	0	0	360.483	2.790	10	30		FFEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CCOc2ccccc21	ZINC000192500857	251279351	/nfs/dbraw/zinc/27/93/51/251279351.db2.gz	SVLMLCIWIJMEAP-HNNXBMFYSA-N	0	0	366.421	2.693	10	30		FFEERN
CC(=O)c1ccc(C#N)c(N2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1	ZINC000302127775	258089975	/nfs/dbraw/zinc/08/99/75/258089975.db2.gz	XBMISQNVUXXISE-HUUCEWRRSA-N	0	0	369.465	2.613	10	30		FFEERN
Cc1cc(NCc2ccc(S(=O)(=O)NC3CC3)cc2)c(C#N)c(C)n1	ZINC000301807113	258068937	/nfs/dbraw/zinc/06/89/37/258068937.db2.gz	YCUDWAXBFXCALR-UHFFFAOYSA-N	0	0	356.451	2.623	10	30		FFEERN
N#Cc1ccccc1N1CCCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1	ZINC000333123977	258251182	/nfs/dbraw/zinc/25/11/82/258251182.db2.gz	GZHOOKKUXNKMJY-JTDSTZFVSA-N	0	0	359.495	2.589	10	30		FFEERN
COc1ccc(N/N=C(\Sc2nnnn2-c2ccccc2)C(C)=O)cc1	ZINC000006820414	263347504	/nfs/dbraw/zinc/34/75/04/263347504.db2.gz	AEWLYCXVEGVVAP-MNDPQUGUSA-N	0	0	368.422	2.778	10	30		FFEERN
COC(=O)c1cc(C#N)c(I)c(OC(F)(F)F)c1	ZINC000575392524	518209287	/nfs/dbraw/zinc/20/92/87/518209287.db2.gz	NWAMUTFDMITJQE-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
COC(=O)c1cc(C#N)cc(OC(F)(F)F)c1I	ZINC000575392082	518209491	/nfs/dbraw/zinc/20/94/91/518209491.db2.gz	BBOFJARCDZBCIA-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
N#Cc1cc(Br)c([N+](=O)[O-])cc1I	ZINC000575691792	518249599	/nfs/dbraw/zinc/24/95/99/518249599.db2.gz	HTCQRESPMFAHNP-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
CC(=NNC(N)=S)c1c[nH]c(=S)n(-c2cccc(Cl)c2)c1=O	ZINC000005294979	506434145	/nfs/dbraw/zinc/43/41/45/506434145.db2.gz	GYRIDQJMURBCRI-REZTVBANSA-N	0	0	353.860	2.518	10	30		FFEERN
C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccc2c(c1)OCCO2	ZINC000042143182	506602609	/nfs/dbraw/zinc/60/26/09/506602609.db2.gz	QBWYGMNAQCODQV-ZIAGYGMSSA-N	0	0	352.390	2.974	10	30		FFEERN
C=CCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1	ZINC000008272908	506639283	/nfs/dbraw/zinc/63/92/83/506639283.db2.gz	RAZDJPXMTZZYMV-UHFFFAOYSA-N	0	0	355.438	2.706	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)NCC[C@H]2C(=O)Nc3ccccc32)cc1	ZINC000024393985	507411070	/nfs/dbraw/zinc/41/10/70/507411070.db2.gz	LDYPIVGUFPIFIO-RUJXFNLJSA-N	0	0	361.401	2.844	10	30		FFEERN
CCOc1ccc(N(CCC#N)C(=O)Cn2c3ccccc3[nH]c2=O)cc1	ZINC000108809166	507919525	/nfs/dbraw/zinc/91/95/25/507919525.db2.gz	QAINNDCWQSOXCM-UHFFFAOYSA-N	0	0	364.405	2.675	10	30		FFEERN
N#Cc1ccccc1OCC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000091757649	508009417	/nfs/dbraw/zinc/00/94/17/508009417.db2.gz	VFLXBLBNHPMKEK-RHSMWYFYSA-N	0	0	358.344	2.550	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCC[C@H](NC(=O)CCC)C2)cc1OC	ZINC000110162454	508011235	/nfs/dbraw/zinc/01/12/35/508011235.db2.gz	BYWXSVJFKLEEEE-INIZCTEOSA-N	0	0	360.454	2.781	10	30		FFEERN
N#Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)nc1	ZINC000093243103	508130061	/nfs/dbraw/zinc/13/00/61/508130061.db2.gz	XKTUQBXGOUQYLO-GOEBONIOSA-N	0	0	361.323	2.920	10	30		FFEERN
C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000081578335	508192996	/nfs/dbraw/zinc/19/29/96/508192996.db2.gz	NYRXEYGYVVGXOX-LLVKDONJSA-N	0	0	351.834	2.812	10	30		FFEERN
COc1cc(OC)cc([C@@H]2CCN(C(=O)Nc3ccn(CCC#N)n3)C2)c1	ZINC000083570733	508248706	/nfs/dbraw/zinc/24/87/06/508248706.db2.gz	FSJBRIGNOKBKJK-CQSZACIVSA-N	0	0	369.425	2.835	10	30		FFEERN
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cn1	ZINC000103928819	508324490	/nfs/dbraw/zinc/32/44/90/508324490.db2.gz	BRHZQRFBKDXOSO-MRXNPFEDSA-N	0	0	356.813	3.000	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(c3ncc(C#N)cc3Cl)CC2)cn1	ZINC000114709583	508339596	/nfs/dbraw/zinc/33/95/96/508339596.db2.gz	UFXQGNISPPYFKO-UHFFFAOYSA-N	0	0	358.877	2.880	10	30		FFEERN
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2nc(CC)nn2C1	ZINC000114978445	508364137	/nfs/dbraw/zinc/36/41/37/508364137.db2.gz	RZHLSLLHIUEASE-KRWDZBQOSA-N	0	0	366.469	2.649	10	30		FFEERN
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000105721982	508382488	/nfs/dbraw/zinc/38/24/88/508382488.db2.gz	DKOHZJXXIVATDA-AWEZNQCLSA-N	0	0	374.460	2.780	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000106211416	508397914	/nfs/dbraw/zinc/39/79/14/508397914.db2.gz	MDBXIKLRIFKUMR-KRWDZBQOSA-N	0	0	357.502	2.859	10	30		FFEERN
CC(C)c1nc2c(n1C)CCN(C(=O)Cc1cccc(OCC#N)c1)C2	ZINC000127524654	508462224	/nfs/dbraw/zinc/46/22/24/508462224.db2.gz	WSLQINWEHYQMRV-UHFFFAOYSA-N	0	0	352.438	2.573	10	30		FFEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccco2)c1	ZINC000116210600	508486573	/nfs/dbraw/zinc/48/65/73/508486573.db2.gz	BLSQJSXWHFKPCM-MRXNPFEDSA-N	0	0	360.435	2.721	10	30		FFEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1	ZINC000157061635	508516971	/nfs/dbraw/zinc/51/69/71/508516971.db2.gz	DMOCEBLHKKOEHZ-XLIONFOSSA-N	0	0	371.481	2.869	10	30		FFEERN
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000134650072	508555439	/nfs/dbraw/zinc/55/54/39/508555439.db2.gz	FAQFAUPPFOHALF-KRWDZBQOSA-N	0	0	365.437	2.981	10	30		FFEERN
CC[C@@H](C#N)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)c1ccccc1	ZINC000123499060	508695717	/nfs/dbraw/zinc/69/57/17/508695717.db2.gz	UKHAIMYLIAHHFO-WMZOPIPTSA-N	0	0	351.406	2.585	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)ccc1F	ZINC000123887875	508753069	/nfs/dbraw/zinc/75/30/69/508753069.db2.gz	QKBKUICUEQAHHW-VQIMIIECSA-N	0	0	374.437	2.974	10	30		FFEERN
N#Cc1cccc(CS(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1	ZINC000123882354	508753270	/nfs/dbraw/zinc/75/32/70/508753270.db2.gz	AWWHQWXXKWGJNC-VQTJNVASSA-N	0	0	370.474	2.976	10	30		FFEERN
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(Cn2cccn2)CC1	ZINC000154449639	508786858	/nfs/dbraw/zinc/78/68/58/508786858.db2.gz	SBYLFAISVOSUOV-UHFFFAOYSA-N	0	0	352.438	2.851	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000159634278	508869591	/nfs/dbraw/zinc/86/95/91/508869591.db2.gz	PJRHQBOMONERHV-INIZCTEOSA-N	0	0	369.469	2.781	10	30		FFEERN
CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCCN(c2cccnn2)C1	ZINC000150860812	508909949	/nfs/dbraw/zinc/90/99/49/508909949.db2.gz	OEAOKUYPSILRSO-HNNXBMFYSA-N	0	0	354.389	2.620	10	30		FFEERN
Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3C#N)c2)n[nH]1	ZINC000131534690	508946434	/nfs/dbraw/zinc/94/64/34/508946434.db2.gz	IFWAONDRHUXKKW-UHFFFAOYSA-N	0	0	357.370	2.592	10	30		FFEERN
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1	ZINC000132235664	509006924	/nfs/dbraw/zinc/00/69/24/509006924.db2.gz	SKQKFYNZRCWXKY-OLZOCXBDSA-N	0	0	356.455	2.666	10	30		FFEERN
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)C#N	ZINC000125890141	509041126	/nfs/dbraw/zinc/04/11/26/509041126.db2.gz	HPGWEAJNWWECBJ-RNCFNFMXSA-N	0	0	374.293	2.873	10	30		FFEERN
Cc1noc([C@H]2COCCN2Cc2ccc(C#N)cc2Br)n1	ZINC000160892731	509044350	/nfs/dbraw/zinc/04/43/50/509044350.db2.gz	SUTWMZOHSGCRSW-CQSZACIVSA-N	0	0	363.215	2.586	10	30		FFEERN
N#Cc1cccc(CNC(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1	ZINC000121503037	509176994	/nfs/dbraw/zinc/17/69/94/509176994.db2.gz	XKYSWGPSXUANPA-MAUKXSAKSA-N	0	0	357.360	2.854	10	30		FFEERN
C=C(C)[C@@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccc(F)c(F)c1	ZINC000185454047	509184372	/nfs/dbraw/zinc/18/43/72/509184372.db2.gz	JNRJTQYSEOSLNP-MAUKXSAKSA-N	0	0	365.424	2.698	10	30		FFEERN
CCn1cc(C2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cn1	ZINC000195500345	509194070	/nfs/dbraw/zinc/19/40/70/509194070.db2.gz	KJTVTSBFPPAKSB-OAHLLOKOSA-N	0	0	351.454	2.981	10	30		FFEERN
N#CCCCOc1cccnc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000188782546	509260653	/nfs/dbraw/zinc/26/06/53/509260653.db2.gz	DEWGZKCOMHSSHH-BEFAXECRSA-N	0	0	358.442	2.923	10	30		FFEERN
C=CCOCCCC(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000248636534	509406679	/nfs/dbraw/zinc/40/66/79/509406679.db2.gz	YDZAELUDRFEWBJ-XHSDSOJGSA-N	0	0	352.475	2.731	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)C12CCOCC2	ZINC000185952856	509445840	/nfs/dbraw/zinc/44/58/40/509445840.db2.gz	OBKKPSXFGISZSF-ZWKOTPCHSA-N	0	0	357.454	2.674	10	30		FFEERN
C=C[C@H](CC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1	ZINC000179627578	509542740	/nfs/dbraw/zinc/54/27/40/509542740.db2.gz	JFROJSLFUSSXCS-SJLPKXTDSA-N	0	0	366.465	2.700	10	30		FFEERN
Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3)C2)n1	ZINC000173384137	509565240	/nfs/dbraw/zinc/56/52/40/509565240.db2.gz	RRBDSXUEPLBXOA-CQSZACIVSA-N	0	0	354.435	2.668	10	30		FFEERN
C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)c1cccc(Br)c1	ZINC000165866012	509586453	/nfs/dbraw/zinc/58/64/53/509586453.db2.gz	DUPDQUVOWUZKDJ-JTQLQIEISA-N	0	0	366.240	2.755	10	30		FFEERN
C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)c1cccc(Br)c1	ZINC000165866142	509586567	/nfs/dbraw/zinc/58/65/67/509586567.db2.gz	DUPDQUVOWUZKDJ-SNVBAGLBSA-N	0	0	366.240	2.755	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1	ZINC000173653548	509700949	/nfs/dbraw/zinc/70/09/49/509700949.db2.gz	SOXPOTRIGHJMMN-OAHLLOKOSA-N	0	0	373.416	2.868	10	30		FFEERN
Cc1ccc([C@@H]2CCCCN2C(=O)CNC(=O)c2ccc(C#N)cc2)o1	ZINC000173750186	509754309	/nfs/dbraw/zinc/75/43/09/509754309.db2.gz	FJRAIUNCWVEWMM-KRWDZBQOSA-N	0	0	351.406	2.943	10	30		FFEERN
N#CCOc1cccc(CC(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1	ZINC000180141286	509774464	/nfs/dbraw/zinc/77/44/64/509774464.db2.gz	UUHHJPXMIVAZGB-BEFAXECRSA-N	0	0	372.371	2.744	10	30		FFEERN
C[C@H](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N1CCCCC1=O	ZINC000193166926	509804539	/nfs/dbraw/zinc/80/45/39/509804539.db2.gz	XQUOKSMXYSGTLJ-MRXNPFEDSA-N	0	0	369.465	2.719	10	30		FFEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@@H](c2nc(C)cs2)C1	ZINC000177033421	509829526	/nfs/dbraw/zinc/82/95/26/509829526.db2.gz	XNJDBUCSQWOFDI-CVEARBPZSA-N	0	0	357.435	2.611	10	30		FFEERN
CCn1cc(C2CCN([C@@H](C(=O)OC)c3cccc(C#N)c3)CC2)cn1	ZINC000177033750	509829870	/nfs/dbraw/zinc/82/98/70/509829870.db2.gz	AOHQEKBUUBTABA-LJQANCHMSA-N	0	0	352.438	2.868	10	30		FFEERN
Cc1nn(C)c(C)c1CN1CCN(CC#Cc2ccc(Cl)cc2)CC1	ZINC000177135007	509893606	/nfs/dbraw/zinc/89/36/06/509893606.db2.gz	GBUDDPNDIFDAHS-UHFFFAOYSA-N	0	0	356.901	2.860	10	30		FFEERN
COCc1nc2n(n1)CCC[C@@H]2Nc1nc(C(F)(F)F)ccc1C#N	ZINC000268404226	509908265	/nfs/dbraw/zinc/90/82/65/509908265.db2.gz	RCDHVUYXZFWHTR-JTQLQIEISA-N	0	0	352.320	2.657	10	30		FFEERN
COc1ccc(S(=O)(=O)NN=Cc2c(O)ccc3ccccc32)cc1	ZINC000254710890	509908542	/nfs/dbraw/zinc/90/85/42/509908542.db2.gz	KDAQLDLDENTJJQ-UHFFFAOYSA-N	0	0	356.403	2.866	10	30		FFEERN
CCN=c1ccc(C#N)cn1C(=O)CCn1c2ccc(Cl)cc2oc1=O	ZINC000254759169	509910356	/nfs/dbraw/zinc/91/03/56/509910356.db2.gz	LUYLIFJTTNKVAZ-UHFFFAOYSA-N	0	0	370.796	2.572	10	30		FFEERN
Cc1nccn1C[C@@H]1CCCN1C(=O)CSCc1ccc(C#N)cc1	ZINC000177194653	509930645	/nfs/dbraw/zinc/93/06/45/509930645.db2.gz	FIEJNHHQGSSZBO-SFHVURJKSA-N	0	0	354.479	2.988	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000190155455	509974222	/nfs/dbraw/zinc/97/42/22/509974222.db2.gz	FGHFSZSHFUELQR-ZWKOTPCHSA-N	0	0	355.442	2.690	10	30		FFEERN
C=CCc1cc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc(OC)c1O	ZINC000190156373	509974365	/nfs/dbraw/zinc/97/43/65/509974365.db2.gz	HNSRKRKERYYENA-HZPDHXFCSA-N	0	0	359.426	2.783	10	30		FFEERN
CC[C@@H](CC#N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1	ZINC000183918815	510038192	/nfs/dbraw/zinc/03/81/92/510038192.db2.gz	ITQTYQMUZJKUSJ-JKSUJKDBSA-N	0	0	355.463	2.898	10	30		FFEERN
N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCCn3ncnc32)c1	ZINC000177530137	510117483	/nfs/dbraw/zinc/11/74/83/510117483.db2.gz	AKAYKFFQUSIEEZ-GOSISDBHSA-N	0	0	373.416	2.994	10	30		FFEERN
Cc1nc(C[C@H]2CCCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1	ZINC000171408571	510141907	/nfs/dbraw/zinc/14/19/07/510141907.db2.gz	VOMPDALAZKKERM-XJKSGUPXSA-N	0	0	353.426	2.531	10	30		FFEERN
Cc1ccc(OC2CCN(C(=O)COc3ccccc3C#N)CC2)nc1	ZINC000180849805	510143646	/nfs/dbraw/zinc/14/36/46/510143646.db2.gz	MQZNWQLGHZPXBD-UHFFFAOYSA-N	0	0	351.406	2.711	10	30		FFEERN
N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCCn3ncnc32)c1	ZINC000177593871	510152089	/nfs/dbraw/zinc/15/20/89/510152089.db2.gz	VYYVKGXRJBPVRI-MRXNPFEDSA-N	0	0	363.377	2.587	10	30		FFEERN
C=C(C)[C@@H](NC(=O)NC[C@H](C)N1CCOCC1)c1ccc(F)c(F)c1	ZINC000187333415	510201589	/nfs/dbraw/zinc/20/15/89/510201589.db2.gz	AEPKJFYGUNWRMR-SUMWQHHRSA-N	0	0	353.413	2.602	10	30		FFEERN
C#CCSCCNC(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1	ZINC000194260185	510282895	/nfs/dbraw/zinc/28/28/95/510282895.db2.gz	XUCZTBANFYEDDW-ZDUSSCGKSA-N	0	0	367.540	2.890	10	30		FFEERN
C[C@H]1CN([C@H](CNC(=O)c2cc(C#N)cs2)c2cccs2)CCO1	ZINC000246100758	510292943	/nfs/dbraw/zinc/29/29/43/510292943.db2.gz	IKLYIZDUNCEZKM-GXTWGEPZSA-N	0	0	361.492	2.873	10	30		FFEERN
Cc1cnn(C[C@@H]2CN(c3c(C#N)cnc4c(F)cc(F)cc43)CCO2)c1	ZINC000171819691	510390089	/nfs/dbraw/zinc/39/00/89/510390089.db2.gz	QFKUWLDDQFVKFN-HNNXBMFYSA-N	0	0	369.375	2.795	10	30		FFEERN
CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1cccc([N+](=O)[O-])c1	ZINC000178055688	510404342	/nfs/dbraw/zinc/40/43/42/510404342.db2.gz	KEXGQPKBTNQLCU-INIZCTEOSA-N	0	0	370.340	2.812	10	30		FFEERN
C[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1(Cl)Cl	ZINC000246320781	510424344	/nfs/dbraw/zinc/42/43/44/510424344.db2.gz	FIVZCUHCMICAOR-GOEBONIOSA-N	0	0	352.265	2.807	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1nnc2n1CCCC2	ZINC000178163137	510465635	/nfs/dbraw/zinc/46/56/35/510465635.db2.gz	MSJVWGFRJPDOQX-LBPRGKRZSA-N	0	0	354.414	2.767	10	30		FFEERN
Cc1ccc(C#N)cc1S(=O)(=O)N1Cc2ccccc2N(C)C[C@H]1C	ZINC000246534319	510541823	/nfs/dbraw/zinc/54/18/23/510541823.db2.gz	PPSXPILHMMEDDA-OAHLLOKOSA-N	0	0	355.463	2.896	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCN(C)c2ccccc21	ZINC000195223104	510724322	/nfs/dbraw/zinc/72/43/22/510724322.db2.gz	FMZKGYHGQFKJFP-INIZCTEOSA-N	0	0	362.433	2.545	10	30		FFEERN
COc1ccnc(N2CCC(C(=O)Nc3cc(C#N)ccc3C)CC2)n1	ZINC000195232062	510727652	/nfs/dbraw/zinc/72/76/52/510727652.db2.gz	BNSPEEADRBDTFI-UHFFFAOYSA-N	0	0	351.410	2.520	10	30		FFEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)CC2	ZINC000195279573	510755748	/nfs/dbraw/zinc/75/57/48/510755748.db2.gz	KJWZSNMLNHQNSO-INIZCTEOSA-N	0	0	369.494	2.638	10	30		FFEERN
COC(=O)[C@@H]1CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000172533294	510776628	/nfs/dbraw/zinc/77/66/28/510776628.db2.gz	KCQBNBZXCGFPSK-CQSZACIVSA-N	0	0	368.355	2.652	10	30		FFEERN
CCn1cc(C2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)cn1	ZINC000172580427	510803841	/nfs/dbraw/zinc/80/38/41/510803841.db2.gz	WJYIMEHBJOGLCY-UHFFFAOYSA-N	0	0	367.453	2.895	10	30		FFEERN
C[C@H](NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)[C@@H]1CCCO1	ZINC000175851670	510824027	/nfs/dbraw/zinc/82/40/27/510824027.db2.gz	APVSGUFKEQLFEG-JXFKEZNVSA-N	0	0	362.429	2.709	10	30		FFEERN
Cc1ccc(N(CCC#N)C(=O)CN2CCS[C@@H]3COCC[C@H]32)cc1C	ZINC000247292814	510855778	/nfs/dbraw/zinc/85/57/78/510855778.db2.gz	UFZSBWVJOJIJJD-RTBURBONSA-N	0	0	373.522	2.756	10	30		FFEERN
O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2CCC[C@H](n3cccn3)C2)C1	ZINC000329909016	510874524	/nfs/dbraw/zinc/87/45/24/510874524.db2.gz	UROBUDVTWPCBQZ-AEFFLSMTSA-N	0	0	373.501	2.615	10	30		FFEERN
CC(C)C[C@@H]1COCCN1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1	ZINC000329959898	510887176	/nfs/dbraw/zinc/88/71/76/510887176.db2.gz	NPHKHKKLQQFUCI-NSHGMRRFSA-N	0	0	373.497	2.867	10	30		FFEERN
C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)N1CCc2ccccc21	ZINC000330089100	510914076	/nfs/dbraw/zinc/91/40/76/510914076.db2.gz	VJYVDGNMPJHWDS-ZSZQSSIHSA-N	0	0	354.454	2.905	10	30		FFEERN
O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)N1CC[C@@H](CCO)C1	ZINC000330239650	510944255	/nfs/dbraw/zinc/94/42/55/510944255.db2.gz	BEFJVWRHTATVLH-ILZDJORESA-N	0	0	364.461	2.518	10	30		FFEERN
O=C(CS)Nc1ccc(I)cc1Br	ZINC000300893089	511687604	/nfs/dbraw/zinc/68/76/04/511687604.db2.gz	GCIQQTYSMDWHFL-UHFFFAOYSA-N	0	0	372.025	2.922	10	30		FFEERN
CS[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1	ZINC000328605101	511891169	/nfs/dbraw/zinc/89/11/69/511891169.db2.gz	JESAWFNTXQORKB-LVQVYYBASA-N	0	0	353.532	2.955	10	30		FFEERN
N#Cc1nccnc1N1CCC[C@@H](c2nn(-c3ccccc3)cc2C(N)=O)C1	ZINC000328607301	511892303	/nfs/dbraw/zinc/89/23/03/511892303.db2.gz	VIFUAKWKADARCY-CQSZACIVSA-N	0	0	373.420	2.801	10	30		FFEERN
CCn1c([C@H]2OCC[C@H]2C)nn(CCCOc2ccc(C#N)cc2)c1=O	ZINC000328633831	511901271	/nfs/dbraw/zinc/90/12/71/511901271.db2.gz	MIFCTDIPWDKMPD-PBHICJAKSA-N	0	0	356.426	2.503	10	30		FFEERN
C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCn2ccnc2C1	ZINC000328646326	511906262	/nfs/dbraw/zinc/90/62/62/511906262.db2.gz	GXNLECJNVMLHLX-AWEZNQCLSA-N	0	0	353.426	2.502	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@H](c3nccs3)C1)CCC2	ZINC000328660964	511910607	/nfs/dbraw/zinc/91/06/07/511910607.db2.gz	WHYSYFIRWAYEPY-KBPBESRZSA-N	0	0	361.471	2.513	10	30		FFEERN
Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@@H]1CCC(=O)NC12CCC2	ZINC000328688311	511914758	/nfs/dbraw/zinc/91/47/58/511914758.db2.gz	HOKLXUXQCHLBSK-CYBMUJFWSA-N	0	0	356.430	2.569	10	30		FFEERN
O=C(N[C@@H]1CCCC[C@H]1n1cccn1)[C@H]1CC12CCS(=O)(=O)CC2	ZINC000328891675	511945563	/nfs/dbraw/zinc/94/55/63/511945563.db2.gz	SMNZZBQPUWJOEH-RBSFLKMASA-N	0	0	351.472	2.538	10	30		FFEERN
O=C(N[C@@H]1CCCN(c2ccccc2F)C1)N1CCc2cncnc2C1	ZINC000328905128	511947891	/nfs/dbraw/zinc/94/78/91/511947891.db2.gz	ANPSJLPHBJBUDF-OAHLLOKOSA-N	0	0	355.417	2.557	10	30		FFEERN
CC[C@@H]1CCCC[C@H]1NC(=O)N1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1	ZINC000329068948	511976155	/nfs/dbraw/zinc/97/61/55/511976155.db2.gz	XXCNQWNEIOVLBU-TWMKSMIVSA-N	0	0	351.491	2.581	10	30		FFEERN
O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329236715	512010682	/nfs/dbraw/zinc/01/06/82/512010682.db2.gz	JRMAOJNFVSOQGL-IAOVAPTHSA-N	0	0	360.433	2.617	10	30		FFEERN
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000329246717	512012627	/nfs/dbraw/zinc/01/26/27/512012627.db2.gz	VVEPUDINWSQUBD-ZQNQSHIBSA-N	0	0	364.408	2.883	10	30		FFEERN
C[C@H]1CCCN(Cc2csc(NC(=O)N3CCc4cncnc4C3)n2)C1	ZINC000329285794	512019812	/nfs/dbraw/zinc/01/98/12/512019812.db2.gz	OMIBQZDVEZWYPF-ZDUSSCGKSA-N	0	0	372.498	2.769	10	30		FFEERN
COc1cccc([C@@H]2[C@H](C(=O)N[C@@H]3CCCNC3=O)CC(=O)N2C2CC2)c1	ZINC000329310714	512025189	/nfs/dbraw/zinc/02/51/89/512025189.db2.gz	ZLPOGGSSJCLMHO-JFIYKMOQSA-N	0	0	371.437	2.823	10	30		FFEERN
Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)CCO2)no1	ZINC000329352757	512032188	/nfs/dbraw/zinc/03/21/88/512032188.db2.gz	USCLGLZKXFKXCF-UTUOFQBUSA-N	0	0	362.352	2.786	10	30		FFEERN
CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000329410979	512042313	/nfs/dbraw/zinc/04/23/13/512042313.db2.gz	DUDTUQCAEGWYBY-LSDHHAIUSA-N	0	0	361.490	2.710	10	30		FFEERN
CC(C)c1nnc2n1CCN(C([O-])=[NH+]C[C@@H]1CCOc3ccccc31)C2	ZINC000329424723	512044715	/nfs/dbraw/zinc/04/47/15/512044715.db2.gz	GLVOLVGCUYZMET-AWEZNQCLSA-N	0	0	355.442	2.697	10	30		FFEERN
Cc1cc([C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCc3nc(C(C)C)nn3C2)on1	ZINC000329424044	512045334	/nfs/dbraw/zinc/04/53/34/512045334.db2.gz	IJYPHBOVISLDOZ-KGLIPLIRSA-N	0	0	358.446	2.764	10	30		FFEERN
Cc1ccc(CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c(O[C@@H]2CCOC2)c1	ZINC000329561577	512070576	/nfs/dbraw/zinc/07/05/76/512070576.db2.gz	MWFXJUNBZSJPRR-BRWVUGGUSA-N	0	0	373.453	2.627	10	30		FFEERN
Cc1nc([C@@H]2CCCN(C(=O)NC[C@H](C)N3CCOCC3)C2)sc1C	ZINC000329729858	512091292	/nfs/dbraw/zinc/09/12/92/512091292.db2.gz	HRXRSKKAININCR-XJKSGUPXSA-N	0	0	366.531	2.574	10	30		FFEERN
O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CCC[C@H]1c1nc2ccccc2[nH]1	ZINC000329736377	512092010	/nfs/dbraw/zinc/09/20/10/512092010.db2.gz	LJNPWFJRZTXXRK-PXAZEXFGSA-N	0	0	350.426	2.894	10	30		FFEERN
Cc1nc([C@@H]2CCCN(C(=O)N[C@@H](C)CN3CCCC3=O)C2)sc1C	ZINC000329734636	512092333	/nfs/dbraw/zinc/09/23/33/512092333.db2.gz	KLNTWYGZNLIUTJ-SWLSCSKDSA-N	0	0	364.515	2.864	10	30		FFEERN
CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCCS2(=O)=O)C12CCCC2	ZINC000329758678	512093779	/nfs/dbraw/zinc/09/37/79/512093779.db2.gz	NYCLMCJDRJYRET-HRCADAONSA-N	0	0	372.531	2.537	10	30		FFEERN
CCOC(=O)c1cc(OC(F)F)cc(C#N)c1I	ZINC000575386561	518208640	/nfs/dbraw/zinc/20/86/40/518208640.db2.gz	YYIIUHUSBIAMCZ-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
COC(=O)c1cc(I)c(OC(F)F)cc1C#N	ZINC000575386068	518208677	/nfs/dbraw/zinc/20/86/77/518208677.db2.gz	JEUYFENWWHRZSR-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)Cc1c(C#N)cc(I)cc1C(F)F	ZINC000575389485	518208893	/nfs/dbraw/zinc/20/88/93/518208893.db2.gz	PZDAHJKPWYNYIZ-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
N#CCc1ccc(OC(F)F)c([N+](=O)[O-])c1I	ZINC000575666244	518245113	/nfs/dbraw/zinc/24/51/13/518245113.db2.gz	GXTGILUOGGITIG-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
CC(=O)Nc1ccc(NC(=O)[C@@H](C)O/N=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000003255575	519724111	/nfs/dbraw/zinc/72/41/11/519724111.db2.gz	MEGJRJNQSLOVCB-ZGXHQARYSA-N	0	0	370.365	2.931	10	30		FFEERN
Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cc1S(=O)(=O)NC1CC1	ZINC000330276137	568081975	/nfs/dbraw/zinc/08/19/75/568081975.db2.gz	MLPFSXOFAKNYNY-XJKSGUPXSA-N	0	0	363.483	2.856	10	30		FFEERN
C#CCOc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1	ZINC000108186062	728520482	/nfs/dbraw/zinc/52/04/82/728520482.db2.gz	MXGPEQPKZKYLAO-UHFFFAOYSA-N	0	0	357.431	2.673	10	30		FFEERN
Cc1ccc([C@H](CNC(=O)C#Cc2ccccc2)N2CCOCC2)s1	ZINC000177970502	729150826	/nfs/dbraw/zinc/15/08/26/729150826.db2.gz	NFPQYNLAYQEMBQ-SFHVURJKSA-N	0	0	354.475	2.598	10	30		FFEERN
Cc1ccc([C@H]2CN([C@H]3CCN(c4sccc4C#N)C3=O)CCO2)o1	ZINC000246076256	729579748	/nfs/dbraw/zinc/57/97/48/729579748.db2.gz	BVWQPTDZLBFOPT-GOEBONIOSA-N	0	0	357.435	2.700	10	30		FFEERN
CCc1nc(CN2CCN(C(=O)N[C@H](C)C[C@@H]3CCCO3)CC2)cs1	ZINC000328779372	729795040	/nfs/dbraw/zinc/79/50/40/729795040.db2.gz	UBMJADRRZRNREW-ZBFHGGJFSA-N	0	0	366.531	2.695	10	30		FFEERN
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1scnc1C1CC1	ZINC000328916278	729795723	/nfs/dbraw/zinc/79/57/23/729795723.db2.gz	KDRGZCBSFLDFIZ-QMMMGPOBSA-N	0	0	370.456	2.580	10	30		FFEERN
CO[C@H]1C[C@H](C(=O)NC2CCC3(CCCCC3)CC2)N(S(C)(=O)=O)C1	ZINC000329885186	729799227	/nfs/dbraw/zinc/79/92/27/729799227.db2.gz	UGDDYWDTAOIEQZ-JKSUJKDBSA-N	0	0	372.531	2.885	10	30		FFEERN
Cc1cc(C)cc([C@@H]2CCN(C(=O)CCNC(=O)C3N=CC=CC3=O)C2)c1	ZINC000588432163	964514203	/nfs/dbraw/zinc/51/42/03/964514203.db2.gz	ZZTDMEUOBXYNJR-FVGNFYTDSA-N	0	0	367.449	2.536	10	30		FFEERN
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1Cc2ccccc2S1	ZINC000328956347	965127912	/nfs/dbraw/zinc/12/79/12/965127912.db2.gz	ZHFFXWPAQPOZCR-SFHVURJKSA-N	0	0	373.522	2.604	10	30		FFEERN
N#Cc1ccccc1/C=C\C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O	ZINC000588584083	967740866	/nfs/dbraw/zinc/74/08/66/967740866.db2.gz	SJCMBYFARXYAPV-KWEPMOPPSA-N	0	0	363.392	2.628	10	30		FFEERN
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CC[C@H](c3cccc(F)c3)C1)CC2	ZINC000329670368	967928725	/nfs/dbraw/zinc/92/87/25/967928725.db2.gz	SUGBMQBLIDWVTI-HOCLYGCPSA-N	0	0	357.433	2.692	10	30		FFEERN
CC(C)n1ncc2cc(C=CC(=O)OCc3ccc(C#N)cc3)c(=O)[nH]c21	ZINC000107412500	1005438892	/nfs/dbraw/zinc/43/88/92/1005438892.db2.gz	CSTRSTFVUYXZLY-BQYQJAHWSA-N	0	0	362.389	2.934	10	30		FFEERN
CNC(=O)c1cncc(/C=C/C(=O)Nc2cc(C#N)ccc2OC(F)F)c1	ZINC000110282388	1005922972	/nfs/dbraw/zinc/92/29/72/1005922972.db2.gz	QIJPXLOVGQJJJT-HWKANZROSA-N	0	0	372.331	2.566	10	30		FFEERN
CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C42CC2)cc1OC	ZINC000001090046	203981910	/nfs/dbraw/zinc/98/19/10/203981910.db2.gz	MJKLNCOKKURFGN-WTQKRVEWSA-N	0	0	366.417	2.625	10	30		FFEERN
COc1cccc(/C=N/NC(=S)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2C=CC[C@H]32)c1O	ZINC000004322531	204132080	/nfs/dbraw/zinc/13/20/80/204132080.db2.gz	QYKCAWDUGQXKDS-SGXMHLDUSA-N	0	0	357.479	2.800	10	30		FFEERN
Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(NN=Cc3ccccc3)S2)cc1	ZINC000006213033	204240996	/nfs/dbraw/zinc/24/09/96/204240996.db2.gz	VVYCPTUUXQNTAZ-DDLUMYACSA-N	0	0	366.446	2.945	10	30		FFEERN
Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(NN=Cc3ccccc3)S2)cc1	ZINC000006212991	204241048	/nfs/dbraw/zinc/24/10/48/204241048.db2.gz	VVYCPTUUXQNTAZ-DORSJAEJSA-N	0	0	366.446	2.945	10	30		FFEERN
C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([NH2+]Cc1cccc3[nH]ccc31)C2	ZINC000067886487	205029201	/nfs/dbraw/zinc/02/92/01/205029201.db2.gz	YUYJTNQYDFGMLU-AWEZNQCLSA-N	0	0	350.422	2.896	10	30		FFEERN
CC(=O)c1ccc(C#N)cc1NCCNS(=O)(=O)c1cc(C)ccc1C	ZINC000302083169	258087356	/nfs/dbraw/zinc/08/73/56/258087356.db2.gz	DAJCHUKXKDEEFM-UHFFFAOYSA-N	0	0	371.462	2.768	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)NCCCOc3ccccc3)cc2C1=O	ZINC000011085814	506764564	/nfs/dbraw/zinc/76/45/64/506764564.db2.gz	HIYUYCFQBDKWDP-UHFFFAOYSA-N	0	0	364.401	2.668	10	30		FFEERN
C=CC[C@@H]([NH3+])[C@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000071613384	507706203	/nfs/dbraw/zinc/70/62/03/507706203.db2.gz	QTXGYCSWOPTKNC-RTBURBONSA-N	0	0	351.402	2.946	10	30		FFEERN
N#CCOc1cccc(CC(=O)NC2(c3noc(C4CC4)n3)CCCC2)c1	ZINC000089822163	507870720	/nfs/dbraw/zinc/87/07/20/507870720.db2.gz	MOYVWSJLHGNGFG-UHFFFAOYSA-N	0	0	366.421	2.978	10	30		FFEERN
Cc1c(C(=O)N[C@H](C#N)C2CC2)cnn1-c1cccc(Br)c1	ZINC000108834020	507921335	/nfs/dbraw/zinc/92/13/35/507921335.db2.gz	OATIYNOTTKNOIS-OAHLLOKOSA-N	0	0	359.227	2.975	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1	ZINC000109677362	507979959	/nfs/dbraw/zinc/97/99/59/507979959.db2.gz	CSTOARHTLFSMLT-DOTOQJQBSA-N	0	0	352.438	2.948	10	30		FFEERN
N#Cc1ccccc1OCC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000091757653	508009688	/nfs/dbraw/zinc/00/96/88/508009688.db2.gz	VFLXBLBNHPMKEK-PBHICJAKSA-N	0	0	358.344	2.550	10	30		FFEERN
CSCC[C@H](NC(=O)c1cc(C#N)cn1C)c1nc2ccccc2[nH]1	ZINC000081752103	508208674	/nfs/dbraw/zinc/20/86/74/508208674.db2.gz	LLVJKLWTKOENKR-HNNXBMFYSA-N	0	0	353.451	2.997	10	30		FFEERN
CSCC[C@@H](NC(=O)c1cc(C#N)cn1C)c1nc2ccccc2[nH]1	ZINC000081752108	508208786	/nfs/dbraw/zinc/20/87/86/508208786.db2.gz	LLVJKLWTKOENKR-OAHLLOKOSA-N	0	0	353.451	2.997	10	30		FFEERN
C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(CCC#N)Cc1ccccn1	ZINC000112900712	508230370	/nfs/dbraw/zinc/23/03/70/508230370.db2.gz	PQDDASCGMRUJDR-OAHLLOKOSA-N	0	0	351.410	2.534	10	30		FFEERN
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCc2ccc(C#N)cc2)CC1	ZINC000101784928	508256890	/nfs/dbraw/zinc/25/68/90/508256890.db2.gz	QJNNKRGCPYOZLR-HNNXBMFYSA-N	0	0	356.470	2.641	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(C(=O)c3sccc3C#N)CC2)cn1	ZINC000113860723	508283636	/nfs/dbraw/zinc/28/36/36/508283636.db2.gz	KEKYZHCXFCPVND-UHFFFAOYSA-N	0	0	357.483	2.529	10	30		FFEERN
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@H]1CCCC[C@H]1O	ZINC000077759523	508367549	/nfs/dbraw/zinc/36/75/49/508367549.db2.gz	UJOMHKRDEORGQF-GDBMZVCRSA-N	0	0	354.372	2.907	10	30		FFEERN
C=CCOc1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c1	ZINC000115211623	508376081	/nfs/dbraw/zinc/37/60/81/508376081.db2.gz	IDRWKKGXLFQCIN-HKUYNNGSSA-N	0	0	368.437	2.533	10	30		FFEERN
N#CCSc1ccccc1NC(=O)CN1CCC(Cn2cccn2)CC1	ZINC000106184226	508397405	/nfs/dbraw/zinc/39/74/05/508397405.db2.gz	FDYRTSRPRKATIZ-UHFFFAOYSA-N	0	0	369.494	2.849	10	30		FFEERN
C=CCCO[C@H](C)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1	ZINC000106391530	508400077	/nfs/dbraw/zinc/40/00/77/508400077.db2.gz	AUAQNLJLMVVXQJ-QGZVFWFLSA-N	0	0	369.465	2.967	10	30		FFEERN
CCCN(C[C@@H]1CCCCO1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000106810966	508404774	/nfs/dbraw/zinc/40/47/74/508404774.db2.gz	ZWMGKRLMPZTZBR-HNNXBMFYSA-N	0	0	363.845	2.958	10	30		FFEERN
C=CCn1c(C)nnc1S(=O)(=O)[C@H](C)c1ncc(-c2ccccc2)o1	ZINC000156872773	508490645	/nfs/dbraw/zinc/49/06/45/508490645.db2.gz	ZAMQLQYPEAQVSR-GFCCVEGCSA-N	0	0	358.423	2.962	10	30		FFEERN
COc1ccccc1N1CC[C@@H](NC(=O)/C=C/c2cccc(C#N)c2)C1=O	ZINC000157317044	508551016	/nfs/dbraw/zinc/55/10/16/508551016.db2.gz	NQVZCFZCHHZSIV-OAGJVSPASA-N	0	0	361.401	2.502	10	30		FFEERN
CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2C#N)C12CCCC2	ZINC000119078593	508720364	/nfs/dbraw/zinc/72/03/64/508720364.db2.gz	LOILAYMZOLDYGE-IAGOWNOFSA-N	0	0	373.428	2.832	10	30		FFEERN
CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)C12CCCC2	ZINC000119105229	508726600	/nfs/dbraw/zinc/72/66/00/508726600.db2.gz	NAESTBUKYUKITM-SJORKVTESA-N	0	0	355.438	2.693	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1	ZINC000123842440	508745758	/nfs/dbraw/zinc/74/57/58/508745758.db2.gz	SSVAUEPLZUHIOJ-IEBWSBKVSA-N	0	0	356.447	2.835	10	30		FFEERN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000151141884	508965158	/nfs/dbraw/zinc/96/51/58/508965158.db2.gz	HMRDBFJIEPZYKO-CVEARBPZSA-N	0	0	368.441	2.604	10	30		FFEERN
COc1cc(/C=C/C(=O)N2CC[C@@H]3OCCC[C@H]3C2)ccc1OCC#N	ZINC000120355339	508979294	/nfs/dbraw/zinc/97/92/94/508979294.db2.gz	FSKRGWZWKVJOAD-DGDBIBOCSA-N	0	0	356.422	2.638	10	30		FFEERN
C[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	ZINC000125904185	509043031	/nfs/dbraw/zinc/04/30/31/509043031.db2.gz	SUZURNRVEYERBI-LLVKDONJSA-N	0	0	363.826	2.783	10	30		FFEERN
CCN(CCC#N)C(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161133274	509075617	/nfs/dbraw/zinc/07/56/17/509075617.db2.gz	JHFYZWPDVWWQQJ-HZPDHXFCSA-N	0	0	369.387	2.575	10	30		FFEERN
N#Cc1ccsc1NC(=O)CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000121182790	509146376	/nfs/dbraw/zinc/14/63/76/509146376.db2.gz	UKMYOHBVKNNXTN-SWLSCSKDSA-N	0	0	363.389	2.644	10	30		FFEERN
C=CCN(C)C(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000161734575	509148899	/nfs/dbraw/zinc/14/88/99/509148899.db2.gz	DAGYSFHWDSIMRP-AWEZNQCLSA-N	0	0	353.806	2.647	10	30		FFEERN
Cc1noc([C@@H](C)N2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)n1	ZINC000121314143	509165647	/nfs/dbraw/zinc/16/56/47/509165647.db2.gz	CRJKYSACZJPHLO-MRXNPFEDSA-N	0	0	368.485	2.607	10	30		FFEERN
C=CCNC(=O)CNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl	ZINC000185569288	509242462	/nfs/dbraw/zinc/24/24/62/509242462.db2.gz	GTASYVDWPZOMFO-CZUORRHYSA-N	0	0	371.264	2.880	10	30		FFEERN
Cn1nccc1C1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1	ZINC000188780102	509258985	/nfs/dbraw/zinc/25/89/85/509258985.db2.gz	KVUAATBENLWYLR-UHFFFAOYSA-N	0	0	368.441	2.909	10	30		FFEERN
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H](n3cncn3)C2)c1	ZINC000176071860	509311354	/nfs/dbraw/zinc/31/13/54/509311354.db2.gz	VYHJMPSLRRSPJX-GFCCVEGCSA-N	0	0	362.340	2.620	10	30		FFEERN
C=CC[C@H](CO)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1	ZINC000248489559	509341635	/nfs/dbraw/zinc/34/16/35/509341635.db2.gz	HNKCJYCDIOHCCW-MKXGPGLRSA-N	0	0	356.466	2.513	10	30		FFEERN
C=C(C)[C@@H](NC(=O)N1CCN(C[C@@H](O)CC)CC1)c1ccc(F)c(F)c1	ZINC000185848084	509383580	/nfs/dbraw/zinc/38/35/80/509383580.db2.gz	PTFPFRQUSKWMAQ-MAUKXSAKSA-N	0	0	367.440	2.680	10	30		FFEERN
N#Cc1ccc(-c2nnc(CN3CCO[C@@H](c4nccs4)C3)o2)cc1	ZINC000173721891	509738276	/nfs/dbraw/zinc/73/82/76/509738276.db2.gz	GMVNMFBEXMTBEI-CQSZACIVSA-N	0	0	353.407	2.638	10	30		FFEERN
CCO[C@@H]1C[C@@H](Nc2cc(C#N)ccc2OCCOC)C12CCOCC2	ZINC000186502281	509743620	/nfs/dbraw/zinc/74/36/20/509743620.db2.gz	RZCFUHVPOLKKFW-RTBURBONSA-N	0	0	360.454	2.970	10	30		FFEERN
C[C@@H]1CCC[C@@](C#N)(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)C1	ZINC000173793921	509780729	/nfs/dbraw/zinc/78/07/29/509780729.db2.gz	IHRLQVOZDKEYNV-FOIQADDNSA-N	0	0	354.454	2.522	10	30		FFEERN
N#CCOc1ccc(CC(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1	ZINC000180165844	509789907	/nfs/dbraw/zinc/78/99/07/509789907.db2.gz	QHEQDEJJGZXMCY-KXBFYZLASA-N	0	0	372.371	2.744	10	30		FFEERN
N#Cc1ccc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)c(F)c1	ZINC000170943302	509861862	/nfs/dbraw/zinc/86/18/62/509861862.db2.gz	ZHGIGJSSESFCFP-UHFFFAOYSA-N	0	0	355.417	2.666	10	30		FFEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]1Cn1ccnc1C	ZINC000177182021	509923016	/nfs/dbraw/zinc/92/30/16/509923016.db2.gz	TXGMYVXGAXKHHI-GOSISDBHSA-N	0	0	368.485	2.542	10	30		FFEERN
CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cccc(F)c1C#N	ZINC000190084818	509930605	/nfs/dbraw/zinc/93/06/05/509930605.db2.gz	QQPIGQXUMNMMJL-KRWDZBQOSA-N	0	0	373.453	2.904	10	30		FFEERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000190111972	509945062	/nfs/dbraw/zinc/94/50/62/509945062.db2.gz	VISCEQHMIRGPAX-OCCSQVGLSA-N	0	0	361.789	2.897	10	30		FFEERN
CCn1cc([C@H]2CN(C(=O)Nc3ccccc3O[C@@H](C)C#N)CCO2)cn1	ZINC000190170832	509985059	/nfs/dbraw/zinc/98/50/59/509985059.db2.gz	ASFYMOHMWDPXPB-KBXCAEBGSA-N	0	0	369.425	2.799	10	30		FFEERN
C=CCCS(=O)(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000245704275	510096241	/nfs/dbraw/zinc/09/62/41/510096241.db2.gz	NWCWKJVFXJNBOW-XJKSGUPXSA-N	0	0	360.882	2.967	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)c1	ZINC000171351637	510098777	/nfs/dbraw/zinc/09/87/77/510098777.db2.gz	ZZVVPAFRUJXQTR-QGZVFWFLSA-N	0	0	352.390	2.830	10	30		FFEERN
CC(C)c1nc([C@@H]2CCCN2C(=O)NCCOc2ccc(C#N)cc2)no1	ZINC000177565602	510136424	/nfs/dbraw/zinc/13/64/24/510136424.db2.gz	JFIJMPOPUKVVKI-INIZCTEOSA-N	0	0	369.425	2.990	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1C(F)(F)F	ZINC000177629870	510168717	/nfs/dbraw/zinc/16/87/17/510168717.db2.gz	NNFIFFUCFGYARD-GJZGRUSLSA-N	0	0	374.384	2.909	10	30		FFEERN
Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000245944977	510222102	/nfs/dbraw/zinc/22/21/02/510222102.db2.gz	NLKMKHXWCQIRFA-DDUYZKFLSA-N	0	0	371.529	2.975	10	30		FFEERN
COc1cc(/C=C/C(=O)N[C@@H]2COc3ccccc3C2)ccc1OCC#N	ZINC000194454991	510373504	/nfs/dbraw/zinc/37/35/04/510373504.db2.gz	FDTVKZJXRCWIRG-LKUPDRCFSA-N	0	0	364.401	2.731	10	30		FFEERN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](c2cc(OC)cc(OC)c2)C1	ZINC000246288972	510407277	/nfs/dbraw/zinc/40/72/77/510407277.db2.gz	AWTMXUKTBVGDCL-HZPDHXFCSA-N	0	0	359.470	2.501	10	30		FFEERN
Cc1ccc(N2CCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)nn1	ZINC000181526655	510455426	/nfs/dbraw/zinc/45/54/26/510455426.db2.gz	HPODHWYRKQCELZ-UHFFFAOYSA-N	0	0	361.449	2.693	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000188083600	510585019	/nfs/dbraw/zinc/58/50/19/510585019.db2.gz	VHEWGIHQYYGOOI-KRWDZBQOSA-N	0	0	367.453	2.851	10	30		FFEERN
CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(CCC#N)c1cccc(C)c1C	ZINC000175339507	510597208	/nfs/dbraw/zinc/59/72/08/510597208.db2.gz	HPHBYXDHVIBJPB-LJQANCHMSA-N	0	0	356.514	2.966	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1	ZINC000178832917	510794452	/nfs/dbraw/zinc/79/44/52/510794452.db2.gz	PDWOZOBDPPHYPR-MNOVXSKESA-N	0	0	357.307	2.873	10	30		FFEERN
CCc1csc([C@H]2CCCN(CC(=O)N(CCC#N)CCC#N)C2)n1	ZINC000195384123	510806929	/nfs/dbraw/zinc/80/69/29/510806929.db2.gz	NMYMWYJTJVCOHL-HNNXBMFYSA-N	0	0	359.499	2.541	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N1CCO[C@H](c2cnn(CC)c2)C1	ZINC000191780398	510827249	/nfs/dbraw/zinc/82/72/49/510827249.db2.gz	WNNVYJDSILKSLX-IBGZPJMESA-N	0	0	371.437	2.690	10	30		FFEERN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(Cc2ccccn2)CC1	ZINC000172675353	510842725	/nfs/dbraw/zinc/84/27/25/510842725.db2.gz	HDSTWZYUYFPPFB-UHFFFAOYSA-N	0	0	355.463	2.905	10	30		FFEERN
Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](C)C2	ZINC000182313166	510848636	/nfs/dbraw/zinc/84/86/36/510848636.db2.gz	CRDAHJOFFXSTTF-SGTLLEGYSA-N	0	0	351.381	2.994	10	30		FFEERN
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000247868196	510871801	/nfs/dbraw/zinc/87/18/01/510871801.db2.gz	XCZJEVUJBXMYNY-UONOGXRCSA-N	0	0	372.860	2.542	10	30		FFEERN
C[C@@H]1C(=O)NCCCN1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2	ZINC000329921599	510876866	/nfs/dbraw/zinc/87/68/66/510876866.db2.gz	SQTAQELKILWKEF-LLVKDONJSA-N	0	0	367.833	2.966	10	30		FFEERN
COc1ccc(NC(=O)N2C[C@H]3CCC[C@H]32)cc1-n1nnnc1C1CC1	ZINC000329943444	510882888	/nfs/dbraw/zinc/88/28/88/510882888.db2.gz	WDFJEJZKDVBDBZ-TZMCWYRMSA-N	0	0	354.414	2.578	10	30		FFEERN
O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)N1CC[C@@H](CCO)C1	ZINC000330239651	510944399	/nfs/dbraw/zinc/94/43/99/510944399.db2.gz	BEFJVWRHTATVLH-XKGZKEIXSA-N	0	0	364.461	2.518	10	30		FFEERN
Cc1c(I)cccc1NC(=O)C#CBr	ZINC000306189706	511764557	/nfs/dbraw/zinc/76/45/57/511764557.db2.gz	JRUJEDQHBTWPTD-UHFFFAOYSA-N	0	0	363.980	2.894	10	30		FFEERN
Cc1nc(C)c(NC(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)s1	ZINC000328628149	511899519	/nfs/dbraw/zinc/89/95/19/511899519.db2.gz	NKDVVZWESNPCBA-NSHDSACASA-N	0	0	351.432	2.885	10	30		FFEERN
Cc1nc(CN(C)[C@@H]2CCCN(c3cc(C)nc(C)c3C#N)CC2)no1	ZINC000328633416	511901363	/nfs/dbraw/zinc/90/13/63/511901363.db2.gz	LYQLTXHPSFDHBY-MRXNPFEDSA-N	0	0	354.458	2.752	10	30		FFEERN
CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(c2cccc(F)c2C#N)CC1	ZINC000328655012	511909506	/nfs/dbraw/zinc/90/95/06/511909506.db2.gz	XYEAOQMFMCGXBR-OAHLLOKOSA-N	0	0	365.474	2.870	10	30		FFEERN
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1	ZINC000328696696	511916318	/nfs/dbraw/zinc/91/63/18/511916318.db2.gz	KYRWIVFNXYOWMO-ZIAGYGMSSA-N	0	0	372.473	2.817	10	30		FFEERN
C[C@H](C(=O)N[C@@H]1CCC(=O)NC12CCC2)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000328756588	511926977	/nfs/dbraw/zinc/92/69/77/511926977.db2.gz	UIRAUIAPGVAOCF-YIYPIFLZSA-N	0	0	361.442	2.548	10	30		FFEERN
Cc1ncc(-c2ccccc2)cc1NC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1	ZINC000328853594	511940689	/nfs/dbraw/zinc/94/06/89/511940689.db2.gz	WDMNOHNHMOILNM-OALUTQOASA-N	0	0	352.438	2.617	10	30		FFEERN
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1	ZINC000328929168	511952604	/nfs/dbraw/zinc/95/26/04/511952604.db2.gz	ABYVWUUKWKQWEP-SZXPJGKVSA-N	0	0	365.499	2.899	10	30		FFEERN
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCCc1nnc2n1CCC2	ZINC000328950396	511955609	/nfs/dbraw/zinc/95/56/09/511955609.db2.gz	LGKJANKPZPLFRA-RDTXWAMCSA-N	0	0	372.473	2.669	10	30		FFEERN
CN1CCO[C@H]2CCN(C(=O)Nc3ccnc(Oc4ccccc4)c3)C[C@@H]21	ZINC000328995725	511964474	/nfs/dbraw/zinc/96/44/74/511964474.db2.gz	FKMXGHYXPNVHBV-ROUUACIJSA-N	0	0	368.437	2.824	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC2CCC(C(C)C)CC2)C1	ZINC000329257683	512015307	/nfs/dbraw/zinc/01/53/07/512015307.db2.gz	CBZDABOTFJTYAX-FOIPXRHGSA-N	0	0	365.518	2.827	10	30		FFEERN
CC(C)C[C@@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C	ZINC000329362398	512034848	/nfs/dbraw/zinc/03/48/48/512034848.db2.gz	YYSXPQZLMMGGHR-HDMKZQKVSA-N	0	0	361.490	2.507	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCC2	ZINC000329487692	512055256	/nfs/dbraw/zinc/05/52/56/512055256.db2.gz	GTTQJSSREPWTGQ-NVXWUHKLSA-N	0	0	374.485	2.655	10	30		FFEERN
CC1CCC(N(C)C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1	ZINC000329511137	512060524	/nfs/dbraw/zinc/06/05/24/512060524.db2.gz	MWNZQBUUYGJQNF-GFTQOHIISA-N	0	0	373.501	2.649	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000329547904	512067569	/nfs/dbraw/zinc/06/75/69/512067569.db2.gz	OSYSPMJDBFGMDF-BFYDXBDKSA-N	0	0	359.474	2.623	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1	ZINC000329600972	512075342	/nfs/dbraw/zinc/07/53/42/512075342.db2.gz	KJBLRUWEMQXWQQ-VGWMRTNUSA-N	0	0	362.474	2.536	10	30		FFEERN
C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H](C)O1	ZINC000408077034	512994871	/nfs/dbraw/zinc/99/48/71/512994871.db2.gz	RBGPLIKNPZQSLP-FSDCSDTHSA-N	0	0	359.445	2.986	10	30		FFEERN
C[C@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@H]1O	ZINC000408088057	512996806	/nfs/dbraw/zinc/99/68/06/512996806.db2.gz	DECNBZITKBHCAM-IWCVFHTOSA-N	0	0	357.454	2.661	10	30		FFEERN
CC(=O)N[C@H]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1	ZINC000408330616	513045205	/nfs/dbraw/zinc/04/52/05/513045205.db2.gz	SPKDHICSYOPGKM-HNNXBMFYSA-N	0	0	351.454	2.589	10	30		FFEERN
COC(=O)c1ccc(C#N)c(I)c1C(F)(F)F	ZINC000575393075	518210049	/nfs/dbraw/zinc/21/00/49/518210049.db2.gz	YFLPXOCXINEMLT-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
N#CCc1c(I)c(OC(F)F)ccc1[N+](=O)[O-]	ZINC000575667420	518245879	/nfs/dbraw/zinc/24/58/79/518245879.db2.gz	ONRBZECYJMUZDS-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
N#Cc1cc([N+](=O)[O-])cc(I)c1Br	ZINC000575691381	518248180	/nfs/dbraw/zinc/24/81/80/518248180.db2.gz	CFLFNZWVNHENBY-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
CC(C)Oc1ccc(S(=O)(=O)[C@@H](C#N)c2nccnc2Cl)cc1	ZINC000584628271	518416930	/nfs/dbraw/zinc/41/69/30/518416930.db2.gz	IDVDTCYFJNYPMI-ZDUSSCGKSA-N	0	0	351.815	2.956	10	30		FFEERN
N#C[C@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1	ZINC000098210832	526513687	/nfs/dbraw/zinc/51/36/87/526513687.db2.gz	SNYLJLLCAXQRJF-FGTMMUONSA-N	0	0	351.358	2.750	10	30		FFEERN
C#Cc1cccc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1	ZINC000103061072	728494031	/nfs/dbraw/zinc/49/40/31/728494031.db2.gz	VBBFSNSQAKVTHV-UHFFFAOYSA-N	0	0	360.391	2.800	10	30		FFEERN
C=CCn1c(SCc2nnc(C3CC3)n2C)nnc1-c1cccnc1	ZINC000130585845	728719835	/nfs/dbraw/zinc/71/98/35/728719835.db2.gz	WUJRDOUBUNGHJM-UHFFFAOYSA-N	0	0	353.455	2.824	10	30		FFEERN
C=CCn1c(-c2cccnc2)nn(CN2CCC([C@@H](C)O)CC2)c1=S	ZINC000173355033	729045035	/nfs/dbraw/zinc/04/50/35/729045035.db2.gz	XZTXJXVBWNSZJF-CQSZACIVSA-N	0	0	359.499	2.712	10	30		FFEERN
C=CC[C@]1(C(=O)N[C@@H]2CCCC[C@@H]2O)CCCN1C(=O)OC(C)(C)C	ZINC000189570072	729400450	/nfs/dbraw/zinc/40/04/50/729400450.db2.gz	NTTSMBGARODJKG-ZRGWGRIASA-N	0	0	352.475	2.752	10	30		FFEERN
C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)[C@H]1CCCCO1	ZINC000328971224	729795986	/nfs/dbraw/zinc/79/59/86/729795986.db2.gz	BMNFWXSLBDGXHD-OUENDJJVSA-N	0	0	354.397	2.944	10	30		FFEERN
C[C@@H]1Sc2ccc(C(=O)NCCN3C(=O)CCCC3=O)cc2NC1=O	ZINC000329556034	729798060	/nfs/dbraw/zinc/79/80/60/729798060.db2.gz	BPHMXKZIEQAHJC-JTQLQIEISA-N	0	0	361.423	2.613	10	30		FFEERN
Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CC[C@H](C)C1	ZINC000329919182	729799378	/nfs/dbraw/zinc/79/93/78/729799378.db2.gz	DCMTXCJDJNWVMU-KSYCFECVSA-N	0	0	352.454	2.896	10	30		FFEERN
Cc1nc(CN(C)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cs1	ZINC000885821604	733714505	/nfs/dbraw/zinc/71/45/05/733714505.db2.gz	IXNWTKIKMYJGQS-CQSZACIVSA-N	0	0	358.442	2.947	10	30		FFEERN
C=CCNC(=O)[C@H](C)OC(=O)/C=C/c1cc2c(cc1OCC)C[C@@H](C)O2	ZINC000007829629	1013234271	/nfs/dbraw/zinc/23/42/71/1013234271.db2.gz	PKKHBOCINQGKON-NCRJZKAISA-N	0	0	359.422	2.656	10	30		FFEERN
Cc1cccc(NC(=O)N2CCc3cncnc3C2)c1C(=O)N1CCCC1	ZINC000329268939	967599419	/nfs/dbraw/zinc/59/94/19/967599419.db2.gz	GUKTXQOVGORUDZ-UHFFFAOYSA-N	0	0	365.437	2.625	10	30		FFEERN
CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](c3ccccc3C)C1)CC2	ZINC000329332276	967647349	/nfs/dbraw/zinc/64/73/49/967647349.db2.gz	ZUKNQWRGQSPYBJ-HZPDHXFCSA-N	0	0	353.470	2.867	10	30		FFEERN
CN1CCN(C(=O)CCNC(=O)c2cccc(OC3CCCCC3)c2)CC1	ZINC000329661819	967925125	/nfs/dbraw/zinc/92/51/25/967925125.db2.gz	IVCIZEXKBDQNLI-UHFFFAOYSA-N	0	0	373.497	2.867	10	30		FFEERN
CN(C([O-])=[NH+][C@@H]1CCc2ccccc2C1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000329697396	967951384	/nfs/dbraw/zinc/95/13/84/967951384.db2.gz	YHTFLSGHACCPMU-RTBURBONSA-N	0	0	365.481	2.849	10	30		FFEERN
Cn1nccc1N1CCC[C@@H](NC(=O)N2CCCc3ccccc3C2)C1	ZINC000329991659	969629832	/nfs/dbraw/zinc/62/98/32/969629832.db2.gz	JYYFRPSGFOCRET-GOSISDBHSA-N	0	0	353.470	2.751	10	30		FFEERN
C#CCOc1ccccc1OC(=O)C1CCN(C(=O)c2ccoc2)CC1	ZINC000107190966	976607003	/nfs/dbraw/zinc/60/70/03/976607003.db2.gz	ACUZDSRSRQUHEI-UHFFFAOYSA-N	0	0	353.374	2.749	10	30		FFEERN
Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)CC2)o1	ZINC000333476833	978338883	/nfs/dbraw/zinc/33/88/83/978338883.db2.gz	GROCGJIDGNODSC-JJDSTIRJSA-N	0	0	368.481	2.966	10	30		FFEERN
C#CCN(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCS(=O)(=O)C1	ZINC000104310151	1004529256	/nfs/dbraw/zinc/52/92/56/1004529256.db2.gz	FNMNAJLVHXUSAK-SFHVURJKSA-N	0	0	365.454	2.520	10	30		FFEERN
COc1ccccc1Nc1ncnc(N(CCC#N)CCC#N)c1[N+](=O)[O-]	ZINC000040618111	205074895	/nfs/dbraw/zinc/07/48/95/205074895.db2.gz	XUNFZRSRMKPFMJ-UHFFFAOYSA-N	0	0	367.369	2.771	10	30		FFEERN
C[C@@H]1CC(N=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC(C)(C)C1	ZINC000005019505	206239729	/nfs/dbraw/zinc/23/97/29/206239729.db2.gz	DTBSEVMQCAVQJL-SIPGVVJPSA-N	0	0	354.432	2.856	10	30		FFEERN
CO[C@H](C)c1nc(C)c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)s1	ZINC000130840584	250939713	/nfs/dbraw/zinc/93/97/13/250939713.db2.gz	XZYCVJANXPKBOU-GFCCVEGCSA-N	0	0	357.435	2.934	10	30		FFEERN
N#Cc1ccc(OC2CN(C(=O)N[C@@H]3CCCC[C@H]3n3cccn3)C2)cc1	ZINC000153288970	251122372	/nfs/dbraw/zinc/12/23/72/251122372.db2.gz	JHZQFPJXAWKBMB-RTBURBONSA-N	0	0	365.437	2.711	10	30		FFEERN
CNS(=O)(=O)c1ccc(CNc2cc(C#N)nc3ccccc32)cc1	ZINC000301375519	258046077	/nfs/dbraw/zinc/04/60/77/258046077.db2.gz	XHEQMXXABCOYBG-UHFFFAOYSA-N	0	0	352.419	2.627	10	30		FFEERN
CCOc1ccc(S(=O)(=O)N/N=C/c2cccc(OCC)c2O)cc1	ZINC000002654262	263326589	/nfs/dbraw/zinc/32/65/89/263326589.db2.gz	MRTDAHNHYRCCJY-LDADJPATSA-N	0	0	364.423	2.502	10	30		FFEERN
N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)cc1	ZINC000054552029	506576431	/nfs/dbraw/zinc/57/64/31/506576431.db2.gz	KKNQOEZAEQREMF-KRWDZBQOSA-N	0	0	365.437	2.619	10	30		FFEERN
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCSCC3)C2)c(F)c1	ZINC000069151586	507421204	/nfs/dbraw/zinc/42/12/04/507421204.db2.gz	UKWLGDGXIIPABD-OAHLLOKOSA-N	0	0	362.474	2.815	10	30		FFEERN
N#CCOc1cccc(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)c1	ZINC000089852109	507874679	/nfs/dbraw/zinc/87/46/79/507874679.db2.gz	LYYNRLXYMHYNLX-WMZOPIPTSA-N	0	0	354.406	2.839	10	30		FFEERN
C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCCN(c2ncccn2)C1	ZINC000109355531	507957122	/nfs/dbraw/zinc/95/71/22/507957122.db2.gz	LXJDQIWDYNFEKJ-IBGZPJMESA-N	0	0	365.481	2.886	10	30		FFEERN
CCc1nccn1[C@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1	ZINC000109677365	507979790	/nfs/dbraw/zinc/97/97/90/507979790.db2.gz	CSTOARHTLFSMLT-RDJZCZTQSA-N	0	0	352.438	2.948	10	30		FFEERN
N#CCOc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)cc1	ZINC000074873757	508066174	/nfs/dbraw/zinc/06/61/74/508066174.db2.gz	MXORCEGOXWYFMQ-QZTJIDSGSA-N	0	0	353.426	2.769	10	30		FFEERN
C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCc2cc(C#N)ccc2F)CC1=O	ZINC000080775681	508102782	/nfs/dbraw/zinc/10/27/82/508102782.db2.gz	DXGQFVSIZAYJNB-KDOFPFPSSA-N	0	0	365.408	2.923	10	30		FFEERN
C[C@@H]1CC(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000093909774	508160171	/nfs/dbraw/zinc/16/01/71/508160171.db2.gz	YPZMBVSVAHRJBJ-IAGOWNOFSA-N	0	0	355.482	2.796	10	30		FFEERN
C[C@H](O)C#Cc1cc2c(nccc2Cl)n1S(=O)(=O)c1ccccc1	ZINC000095937861	508198752	/nfs/dbraw/zinc/19/87/52/508198752.db2.gz	CNFAEFOVZRSAMO-LBPRGKRZSA-N	0	0	360.822	2.659	10	30		FFEERN
COC(=O)[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1	ZINC000083029512	508233874	/nfs/dbraw/zinc/23/38/74/508233874.db2.gz	YWKCOVGBAOYJMN-YJYMSZOUSA-N	0	0	352.390	2.894	10	30		FFEERN
C=CCN(CC(F)(F)F)C(=O)CNC(=O)c1cc(-c2ccccc2)on1	ZINC000102342886	508272813	/nfs/dbraw/zinc/27/28/13/508272813.db2.gz	HPUBVKXDNXFSMX-UHFFFAOYSA-N	0	0	367.327	2.648	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cn1	ZINC000113964727	508288160	/nfs/dbraw/zinc/28/81/60/508288160.db2.gz	WRQNLTIFCDUCQD-UHFFFAOYSA-N	0	0	366.469	2.859	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(C(=O)Nc3cccc(C#N)c3)CC2)cn1	ZINC000113964711	508288323	/nfs/dbraw/zinc/28/83/23/508288323.db2.gz	RNZRMVAUHMPCPB-UHFFFAOYSA-N	0	0	366.469	2.859	10	30		FFEERN
CCC(CC)CN(CCC#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000104751385	508344480	/nfs/dbraw/zinc/34/44/80/508344480.db2.gz	RFQBCEZBZBITLV-UHFFFAOYSA-N	0	0	369.443	2.944	10	30		FFEERN
C=CCOc1cccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c1	ZINC000115211620	508375618	/nfs/dbraw/zinc/37/56/18/508375618.db2.gz	IDRWKKGXLFQCIN-MJGOQNOKSA-N	0	0	368.437	2.533	10	30		FFEERN
C=CCOc1ccccc1C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000122338493	508519285	/nfs/dbraw/zinc/51/92/85/508519285.db2.gz	CJHUWMHQTDOJDJ-MRXNPFEDSA-N	0	0	352.438	2.782	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)c1	ZINC000119455307	508799452	/nfs/dbraw/zinc/79/94/52/508799452.db2.gz	ZJPZVXSYLWVUAP-UHFFFAOYSA-N	0	0	368.437	2.709	10	30		FFEERN
Cn1ccnc1C[C@@H]1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1	ZINC000120305466	508968577	/nfs/dbraw/zinc/96/85/77/508968577.db2.gz	PBZWZWUNZQVKME-YOCVDRLZSA-N	0	0	364.449	2.817	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCC(CC)CC2)cc1	ZINC000132022033	508990258	/nfs/dbraw/zinc/99/02/58/508990258.db2.gz	OKDPLBDIRNRBOE-UHFFFAOYSA-N	0	0	357.454	2.626	10	30		FFEERN
N#CCC[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1ccccc1	ZINC000151369225	509006504	/nfs/dbraw/zinc/00/65/04/509006504.db2.gz	OTGZNGRDFYAEHC-SFHVURJKSA-N	0	0	364.453	2.790	10	30		FFEERN
C=C(C)[C@@H](NC(=O)N1CCC[C@H](NC(C)=O)C1)c1ccc(F)c(F)c1	ZINC000185482892	509198667	/nfs/dbraw/zinc/19/86/67/509198667.db2.gz	MZKSUGPRGRZTPO-WMLDXEAASA-N	0	0	351.397	2.892	10	30		FFEERN
N#Cc1cccc(NC(=O)CN2CCCC[C@@H]2c2nnc3n2CCCC3)c1	ZINC000195511170	509204319	/nfs/dbraw/zinc/20/43/19/509204319.db2.gz	FGQTYGJKRXKKSW-QGZVFWFLSA-N	0	0	364.453	2.652	10	30		FFEERN
C=CCNC(=O)CNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl	ZINC000185569344	509242236	/nfs/dbraw/zinc/24/22/36/509242236.db2.gz	GTASYVDWPZOMFO-BBRMVZONSA-N	0	0	371.264	2.880	10	30		FFEERN
CC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1cccc([N+](=O)[O-])c1	ZINC000176011687	509271941	/nfs/dbraw/zinc/27/19/41/509271941.db2.gz	QHTFTHOHEMYYBF-OAHLLOKOSA-N	0	0	370.340	2.812	10	30		FFEERN
Cc1ccc([C@@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)o1	ZINC000182576401	509311673	/nfs/dbraw/zinc/31/16/73/509311673.db2.gz	ZGZACWGYZZUJTK-HZPDHXFCSA-N	0	0	372.494	2.709	10	30		FFEERN
CC[C@@H](C#N)NC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl	ZINC000179242092	509335475	/nfs/dbraw/zinc/33/54/75/509335475.db2.gz	AJWRBZCWHJHEQF-FZMZJTMJSA-N	0	0	353.875	2.610	10	30		FFEERN
N#Cc1ccc(CN2CC[C@@H](NC(=O)/C=C/c3ccc(F)cc3)C2=O)cc1	ZINC000192130603	509360443	/nfs/dbraw/zinc/36/04/43/509360443.db2.gz	VIUYTBPFRUYIHG-QPGLYAHGSA-N	0	0	363.392	2.628	10	30		FFEERN
CC1(C)C[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1	ZINC000163450394	509378302	/nfs/dbraw/zinc/37/83/02/509378302.db2.gz	RWVJJKLRAULAIL-HZPDHXFCSA-N	0	0	374.460	2.923	10	30		FFEERN
C=CCCO[C@H](C)C(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000248594731	509382081	/nfs/dbraw/zinc/38/20/81/509382081.db2.gz	MBKUMTATPNHHTO-FXUDXRNXSA-N	0	0	352.475	2.729	10	30		FFEERN
CN1C(=O)C[C@H](C(=O)NCc2ccc(C#N)cc2F)[C@@H]1c1ccc(F)cc1	ZINC000179338486	509384727	/nfs/dbraw/zinc/38/47/27/509384727.db2.gz	CDBVBXTXCPMPKO-LPHOPBHVSA-N	0	0	369.371	2.672	10	30		FFEERN
CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C12CCOCC2	ZINC000185952895	509446106	/nfs/dbraw/zinc/44/61/06/509446106.db2.gz	OBKKPSXFGISZSF-QZTJIDSGSA-N	0	0	357.454	2.674	10	30		FFEERN
C=CC[C@@H](C(=O)N1CCCN(Cc2noc(C)n2)CC1)c1ccccc1	ZINC000189406910	509559783	/nfs/dbraw/zinc/55/97/83/509559783.db2.gz	PHEWVGGCEIDCAR-GOSISDBHSA-N	0	0	354.454	2.772	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(C#N)c2C)cs1	ZINC000189440729	509577209	/nfs/dbraw/zinc/57/72/09/509577209.db2.gz	HPAAFKXPXLFWEX-INIZCTEOSA-N	0	0	354.435	2.934	10	30		FFEERN
C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)c1	ZINC000176600410	509604191	/nfs/dbraw/zinc/60/41/91/509604191.db2.gz	QPSQUXJHWUWWRD-INIZCTEOSA-N	0	0	374.400	2.570	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)NCC[C@H]2C(=O)Nc3ccccc32)c1	ZINC000173457402	509612833	/nfs/dbraw/zinc/61/28/33/509612833.db2.gz	GVQDZUXCTPPEGW-OAHLLOKOSA-N	0	0	352.369	2.623	10	30		FFEERN
CCOC(=O)[C@H](NS(=O)(=O)CCCCC#N)c1ccc(Cl)cc1	ZINC000192990735	509728177	/nfs/dbraw/zinc/72/81/77/509728177.db2.gz	RASGXPDZMCNNEB-CQSZACIVSA-N	0	0	358.847	2.557	10	30		FFEERN
CN(C(=O)CNC1(c2noc(C3CC3)n2)CCCC1)C1(C#N)CCCCC1	ZINC000173706546	509730124	/nfs/dbraw/zinc/73/01/24/509730124.db2.gz	RPHDYRLRRAQBBW-UHFFFAOYSA-N	0	0	371.485	2.991	10	30		FFEERN
CC(C)(C#N)c1ccc(NC(=O)NCc2cccnc2-n2cncn2)cc1	ZINC000193179145	509808538	/nfs/dbraw/zinc/80/85/38/509808538.db2.gz	YGKWJEIHZYUXRX-UHFFFAOYSA-N	0	0	361.409	2.785	10	30		FFEERN
CC(C)C(=O)N1CCC(=NO[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1	ZINC000177063210	509849585	/nfs/dbraw/zinc/84/95/85/509849585.db2.gz	JFSOKQRUBHABID-HOTGVXAUSA-N	0	0	359.470	2.903	10	30		FFEERN
N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CNC(=O)C3)cc2Cl)c1	ZINC000171071546	509923282	/nfs/dbraw/zinc/92/32/82/509923282.db2.gz	IQZJLXDKICSOPA-AWEZNQCLSA-N	0	0	369.808	2.865	10	30		FFEERN
C[C@@H]1CN([C@@H](CNC(=O)c2cccc(F)c2C#N)c2cccs2)CCO1	ZINC000190085682	509929666	/nfs/dbraw/zinc/92/96/66/509929666.db2.gz	XAAHVUBFYPKNFE-DYVFJYSZSA-N	0	0	373.453	2.951	10	30		FFEERN
C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@]1(C#N)CCc2ccccc2C1	ZINC000186895291	509934690	/nfs/dbraw/zinc/93/46/90/509934690.db2.gz	WUUNIYXORBEFIV-QVKFZJNVSA-N	0	0	362.433	2.764	10	30		FFEERN
C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@]1(C#N)CCc2ccccc2C1	ZINC000186895325	509934951	/nfs/dbraw/zinc/93/49/51/509934951.db2.gz	WUUNIYXORBEFIV-VFNWGFHPSA-N	0	0	362.433	2.764	10	30		FFEERN
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]1c1cnn(C)c1	ZINC000245461090	509949923	/nfs/dbraw/zinc/94/99/23/509949923.db2.gz	WDVFUOJYRBETNT-LPHOPBHVSA-N	0	0	351.454	2.892	10	30		FFEERN
C=CCOc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3CC)n2CC)cc1Cl	ZINC000171122780	509956067	/nfs/dbraw/zinc/95/60/67/509956067.db2.gz	HGDGTZKZPSMNGB-UHFFFAOYSA-N	0	0	374.828	2.811	10	30		FFEERN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CSC[C@H](O)CO)c1C#N	ZINC000177417835	510047158	/nfs/dbraw/zinc/04/71/58/510047158.db2.gz	OFAUSMOLOLKHMY-OAHLLOKOSA-N	0	0	365.499	2.507	10	30		FFEERN
N#C[C@@]1(NC(=O)c2cccc(CN3CCCC3=O)c2)CCc2ccccc2C1	ZINC000183959232	510058461	/nfs/dbraw/zinc/05/84/61/510058461.db2.gz	LMKNDDNJIXEKAX-HSZRJFAPSA-N	0	0	373.456	2.990	10	30		FFEERN
CC(=O)NC1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C1	ZINC000190451389	510139417	/nfs/dbraw/zinc/13/94/17/510139417.db2.gz	OEPMYMGMGGWQKU-UHFFFAOYSA-N	0	0	351.431	2.670	10	30		FFEERN
CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193995002	510166874	/nfs/dbraw/zinc/16/68/74/510166874.db2.gz	YSAWFAAGXZIFSG-KBPBESRZSA-N	0	0	372.429	2.800	10	30		FFEERN
CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCCN(c2cccnn2)C1	ZINC000180922893	510185199	/nfs/dbraw/zinc/18/51/99/510185199.db2.gz	KDDDDEOMDMWCEN-SFHVURJKSA-N	0	0	361.449	2.773	10	30		FFEERN
N#Cc1ccc(N2CC[C@H](N3CCC[C@H](c4nccs4)C3)C2=O)cc1	ZINC000171637476	510266270	/nfs/dbraw/zinc/26/62/70/510266270.db2.gz	QVWWTOJULDETMW-RDJZCZTQSA-N	0	0	352.463	3.000	10	30		FFEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](c2nccs2)C1	ZINC000171644591	510272712	/nfs/dbraw/zinc/27/27/12/510272712.db2.gz	LSORCGLWTVBWPZ-CQSZACIVSA-N	0	0	370.478	2.659	10	30		FFEERN
N#CCCn1cc(C(=O)CN2CCC[C@H](n3cncn3)C2)c2ccccc21	ZINC000171702816	510316863	/nfs/dbraw/zinc/31/68/63/510316863.db2.gz	CMTRXIYTHWSODT-INIZCTEOSA-N	0	0	362.437	2.666	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3C#N)C2)n1	ZINC000177917420	510324543	/nfs/dbraw/zinc/32/45/43/510324543.db2.gz	JFHYDDLABPRGGG-CQSZACIVSA-N	0	0	356.405	2.850	10	30		FFEERN
CN1C(=O)CC[C@@H](C(=O)NCc2ccc(C#N)cc2F)[C@H]1c1ccccc1	ZINC000171997124	510490232	/nfs/dbraw/zinc/49/02/32/510490232.db2.gz	DVSGUSQACVDCFZ-YLJYHZDGSA-N	0	0	365.408	2.923	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)cc1C(F)(F)F	ZINC000246461893	510502378	/nfs/dbraw/zinc/50/23/78/510502378.db2.gz	NNFIFFUCFGYARD-CABCVRRESA-N	0	0	374.384	2.909	10	30		FFEERN
Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2C#N)cs1	ZINC000188010653	510547038	/nfs/dbraw/zinc/54/70/38/510547038.db2.gz	IHRAHBZAHHFWKS-AWEZNQCLSA-N	0	0	351.428	2.988	10	30		FFEERN
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21	ZINC000247201246	510851326	/nfs/dbraw/zinc/85/13/26/510851326.db2.gz	WETMUKHITUVQPA-KGLIPLIRSA-N	0	0	374.384	2.909	10	30		FFEERN
C[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)N1CCc2ccccc21	ZINC000330089099	510913122	/nfs/dbraw/zinc/91/31/22/510913122.db2.gz	VJYVDGNMPJHWDS-IDHHARJASA-N	0	0	354.454	2.905	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CSc2ccccc21	ZINC000330170608	510930017	/nfs/dbraw/zinc/93/00/17/510930017.db2.gz	BUSRVEHKCJUXML-VNHYZAJKSA-N	0	0	354.497	2.693	10	30		FFEERN
CCc1cc(=O)n2nc(N3CCC[C@H]3[C@H](C#N)c3ccccc3)sc2n1	ZINC000301449807	511697016	/nfs/dbraw/zinc/69/70/16/511697016.db2.gz	PMQHNCUUODQOLG-CVEARBPZSA-N	0	0	365.462	2.990	10	30		FFEERN
C=C(Br)CNC(=O)c1sccc1I	ZINC000307199144	511765531	/nfs/dbraw/zinc/76/55/31/511765531.db2.gz	WWHZQLQZSBCOCM-UHFFFAOYSA-N	0	0	372.025	2.991	10	30		FFEERN
N#Cc1c(F)ccc(I)c1I	ZINC000307074193	511765943	/nfs/dbraw/zinc/76/59/43/511765943.db2.gz	AUCQZYANIYVPOZ-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
N#Cc1cc(Br)cnc1-n1cc(I)cn1	ZINC000307185879	511766261	/nfs/dbraw/zinc/76/62/61/511766261.db2.gz	KGAOOOMAKWCMST-UHFFFAOYSA-N	0	0	374.967	2.506	10	30		FFEERN
CC(C)[C@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CCS1	ZINC000328602667	511890509	/nfs/dbraw/zinc/89/05/09/511890509.db2.gz	HDAQXGDLXVBZEH-OWCLPIDISA-N	0	0	353.532	2.765	10	30		FFEERN
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000328617952	511895401	/nfs/dbraw/zinc/89/54/01/511895401.db2.gz	UQOMGMHQVRKWQI-OWSLCNJRSA-N	0	0	365.518	2.732	10	30		FFEERN
COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C[C@H]2CCCCC(=O)N2)C1	ZINC000328672346	511913870	/nfs/dbraw/zinc/91/38/70/511913870.db2.gz	OCQBBYAINUTKBY-RRFJBIMHSA-N	0	0	353.463	2.506	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1)CCC2	ZINC000328717276	511919621	/nfs/dbraw/zinc/91/96/21/511919621.db2.gz	PGXJNYCAARSSNH-KBPBESRZSA-N	0	0	373.423	2.551	10	30		FFEERN
CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC(=O)NC12CCC2	ZINC000328748128	511925297	/nfs/dbraw/zinc/92/52/97/511925297.db2.gz	PLXGXQCTXADFCV-NEPJUHHUSA-N	0	0	353.488	2.932	10	30		FFEERN
O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000328762921	511928471	/nfs/dbraw/zinc/92/84/71/511928471.db2.gz	ZPSMOAXSIRKFHW-LSDHHAIUSA-N	0	0	362.474	2.912	10	30		FFEERN
Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N[C@@H]1CCO[C@@H]1C	ZINC000328958098	511957600	/nfs/dbraw/zinc/95/76/00/511957600.db2.gz	OJMPPMIWLVZOPS-UKRRQHHQSA-N	0	0	363.483	2.687	10	30		FFEERN
CCC[C@H](NC(=O)[C@H](C)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1	ZINC000329184342	512001447	/nfs/dbraw/zinc/00/14/47/512001447.db2.gz	PDRKLAXUSOTHQF-LEUOFYLZSA-N	0	0	364.511	2.992	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N[C@@H]1CCO[C@@H]1C1CC1	ZINC000329214118	512006259	/nfs/dbraw/zinc/00/62/59/512006259.db2.gz	KPVQGYGQMCLPHT-QBPKDAKJSA-N	0	0	352.381	2.866	10	30		FFEERN
CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2CCCOc3cc(F)ccc32)O1	ZINC000329230886	512010122	/nfs/dbraw/zinc/01/01/22/512010122.db2.gz	KGNFRDDXZQTHBC-QLFBSQMISA-N	0	0	350.390	2.632	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CCSCC[C@@H]2C)on1	ZINC000329258599	512015261	/nfs/dbraw/zinc/01/52/61/512015261.db2.gz	YLHWHCGREHSBGC-KKUMJFAQSA-N	0	0	370.494	2.637	10	30		FFEERN
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000329296126	512021875	/nfs/dbraw/zinc/02/18/75/512021875.db2.gz	SSNJPGOURAKGMR-LVQVYYBASA-N	0	0	352.475	2.564	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21	ZINC000329387554	512037604	/nfs/dbraw/zinc/03/76/04/512037604.db2.gz	QZKHXHPSYDISDD-USYVTKNRSA-N	0	0	356.466	2.972	10	30		FFEERN
Cc1ccc(C)c([C@@H]2CCCN2C(=O)N[C@H]2COC[C@H]2n2ccnn2)c1	ZINC000329476276	512054832	/nfs/dbraw/zinc/05/48/32/512054832.db2.gz	NXPHHHBDCYYFIE-OKZBNKHCSA-N	0	0	355.442	2.586	10	30		FFEERN
CC1(C)CCc2ccccc2[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1	ZINC000329519748	512062490	/nfs/dbraw/zinc/06/24/90/512062490.db2.gz	ZVJIOVWOSRDMOJ-FGTMMUONSA-N	0	0	369.469	2.825	10	30		FFEERN
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	ZINC000329571089	512072017	/nfs/dbraw/zinc/07/20/17/512072017.db2.gz	QNDOJTLCILFHDY-VYTXNUKWSA-N	0	0	353.488	2.931	10	30		FFEERN
CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329579365	512072240	/nfs/dbraw/zinc/07/22/40/512072240.db2.gz	KSKTXCONPUITFT-DLBZAZTESA-N	0	0	373.501	2.892	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2COc3ccccc3O2)C1	ZINC000329638794	512080145	/nfs/dbraw/zinc/08/01/45/512080145.db2.gz	YWXMUPMOTVONLK-HZPDHXFCSA-N	0	0	370.453	2.836	10	30		FFEERN
CC(C)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)C1	ZINC000329727474	512091159	/nfs/dbraw/zinc/09/11/59/512091159.db2.gz	OUKVYKDALRZODW-KONPQCLYSA-N	0	0	367.490	2.704	10	30		FFEERN
N#Cc1nc(N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)ccc1C(F)(F)F	ZINC000407953406	512974212	/nfs/dbraw/zinc/97/42/12/512974212.db2.gz	BDQCIGQWNDURRF-XHDPSFHLSA-N	0	0	364.371	2.952	10	30		FFEERN
N#CC1(CS(=O)(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)CCCCC1	ZINC000408025683	512986613	/nfs/dbraw/zinc/98/66/13/512986613.db2.gz	AYCPBBSNTSZHSA-IAGOWNOFSA-N	0	0	366.458	2.737	10	30		FFEERN
CCOC(=O)c1c(OC(F)F)ccc(I)c1C#N	ZINC000575385844	518207793	/nfs/dbraw/zinc/20/77/93/518207793.db2.gz	AIQZPDXQNKVPBL-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
CCOC(=O)c1c(I)c(C#N)ccc1OC(F)F	ZINC000575385892	518208233	/nfs/dbraw/zinc/20/82/33/518208233.db2.gz	DMPTVLMQNPCCAI-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
CCOC(=O)c1ccc(C#N)c(I)c1OC(F)F	ZINC000575386373	518208566	/nfs/dbraw/zinc/20/85/66/518208566.db2.gz	RYKHMQAHRWMYTG-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
N#Cc1ccc([N+](=O)[O-])c(I)c1Br	ZINC000575693211	518250995	/nfs/dbraw/zinc/25/09/95/518250995.db2.gz	YAWSNRUXXPOOIP-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
CC(C)[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000048096016	728043113	/nfs/dbraw/zinc/04/31/13/728043113.db2.gz	YYGKJAUBFTYIAY-GJEKEPIOSA-N	0	0	366.487	2.665	10	30		FFEERN
CCOCCOCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000105757930	728508451	/nfs/dbraw/zinc/50/84/51/728508451.db2.gz	FEAVWTFSATVISH-LLVKDONJSA-N	0	0	359.209	2.694	10	30		FFEERN
C=C(Br)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1	ZINC000171801069	729013582	/nfs/dbraw/zinc/01/35/82/729013582.db2.gz	KSTVJALZEGEPGF-ZFWWWQNUSA-N	0	0	351.244	2.621	10	30		FFEERN
CCCCCCCS(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000195268308	729534204	/nfs/dbraw/zinc/53/42/04/729534204.db2.gz	QLDXARQVLFWWNJ-MRXNPFEDSA-N	0	0	354.520	2.677	10	30		FFEERN
N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000255418032	729639611	/nfs/dbraw/zinc/63/96/11/729639611.db2.gz	XNTJBYPIMIIEEA-DOOKAGJSSA-N	0	0	352.415	2.606	10	30		FFEERN
O=C(N[C@H]1CCC(=O)NC12CCC2)N1CCN(Cc2cccs2)CC1	ZINC000328735777	729794913	/nfs/dbraw/zinc/79/49/13/729794913.db2.gz	JFGVNEPBVAFINY-HNNXBMFYSA-N	0	0	362.499	2.821	10	30		FFEERN
C[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1	ZINC000329000493	729795964	/nfs/dbraw/zinc/79/59/64/729795964.db2.gz	VRNLYSAOMXFYHQ-RNCFNFMXSA-N	0	0	362.821	2.506	10	30		FFEERN
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CSc2ccccc21	ZINC000329660397	729798559	/nfs/dbraw/zinc/79/85/59/729798559.db2.gz	ONDHIXBQVZLELA-ZIAGYGMSSA-N	0	0	354.497	2.994	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2ccc(Cl)cc2C#N)C1	ZINC000702764213	734356543	/nfs/dbraw/zinc/35/65/43/734356543.db2.gz	AMSRGIVWONRIJL-SWLSCSKDSA-N	0	0	351.834	2.851	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2cc(Cl)ccc2C#N)C1	ZINC000702769871	734357003	/nfs/dbraw/zinc/35/70/03/734357003.db2.gz	PCHBXFZXOXCOPF-DOMZBBRYSA-N	0	0	351.834	2.851	10	30		FFEERN
Cc1cc(C(=O)NCCCN2CCCC2=O)c(C)n1-c1ccc(C#N)cc1	ZINC000102913974	1004223995	/nfs/dbraw/zinc/22/39/95/1004223995.db2.gz	BAOMJKICNBOYNG-UHFFFAOYSA-N	0	0	364.449	2.708	10	30		FFEERN
CNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(OCCCC#N)c2)c1	ZINC000110231823	1005916025	/nfs/dbraw/zinc/91/60/25/1005916025.db2.gz	YEPIDTMMGSONII-BQYQJAHWSA-N	0	0	364.405	2.776	10	30		FFEERN
O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c1	ZINC000004863723	204170275	/nfs/dbraw/zinc/17/02/75/204170275.db2.gz	SHUOUUKAYFOXQR-GIJQJNRQSA-N	0	0	373.312	2.926	10	30		FFEERN
O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C/c2ccc(OC(F)F)cc2)c1	ZINC000004863607	204170696	/nfs/dbraw/zinc/17/06/96/204170696.db2.gz	DEVKDUGLUIUHTH-RQZCQDPDSA-N	0	0	371.321	2.509	10	30		FFEERN
N#Cc1c2c(sc1NC(=O)Cc1sc(N)nc1O)CCCCCC2	ZINC000005830204	204226931	/nfs/dbraw/zinc/22/69/31/204226931.db2.gz	UHGFFXIIDPVSJY-GFCCVEGCSA-N	0	0	362.480	2.564	10	30		FFEERN
Cc1c(C(N)=O)oc2c1C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2	ZINC000040814882	205081131	/nfs/dbraw/zinc/08/11/31/205081131.db2.gz	CKSNWMNLPFWVFZ-YBFXNURJSA-N	0	0	373.325	2.656	10	30		FFEERN
CN(c1ccccc1)c1ncnc(N(CCC#N)CCC#N)c1[N+](=O)[O-]	ZINC000040618081	205074054	/nfs/dbraw/zinc/07/40/54/205074054.db2.gz	OLQUMUNCSCVQFZ-UHFFFAOYSA-N	0	0	351.370	2.786	10	30		FFEERN
N#Cc1cn2c(nc3ccccc32)nc1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000048524434	205164765	/nfs/dbraw/zinc/16/47/65/205164765.db2.gz	CFVCJGUPKHGFAG-UHFFFAOYSA-N	0	0	358.317	2.915	10	30		FFEERN
N#Cc1ccc(C(=O)N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)cc1	ZINC000107195620	206017540	/nfs/dbraw/zinc/01/75/40/206017540.db2.gz	TVAWJCCOCQISLH-IBGZPJMESA-N	0	0	359.429	2.694	10	30		FFEERN
CCCC(=O)N[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000101565430	250079297	/nfs/dbraw/zinc/07/92/97/250079297.db2.gz	WGVAZUISLNGXJW-HNNXBMFYSA-N	0	0	362.861	2.531	10	30		FFEERN
CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000103317851	250146431	/nfs/dbraw/zinc/14/64/31/250146431.db2.gz	GUHXBDYBIYJCLF-ROUUACIJSA-N	0	0	355.486	3.000	10	30		FFEERN
CCc1nccn1[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000106214880	250256509	/nfs/dbraw/zinc/25/65/09/250256509.db2.gz	OHUKFJJORVISQE-RDJZCZTQSA-N	0	0	351.454	2.981	10	30		FFEERN
N#Cc1cc(N2CCC[C@@H](Cn3cncn3)C2)nc2ccc([N+](=O)[O-])cc12	ZINC000301396885	258047491	/nfs/dbraw/zinc/04/74/91/258047491.db2.gz	NGOJNSLUNZZIDE-CYBMUJFWSA-N	0	0	363.381	2.523	10	30		FFEERN
CCc1cc(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)n2ncnc2n1	ZINC000301208236	258033796	/nfs/dbraw/zinc/03/37/96/258033796.db2.gz	RWGQFQLHNGNMEO-HNNXBMFYSA-N	0	0	365.416	2.778	10	30		FFEERN
COC(=O)c1ccc(C#N)c(I)c1OC(F)(F)F	ZINC000575392095	518209238	/nfs/dbraw/zinc/20/92/38/518209238.db2.gz	CHGDAMVEGSOQIX-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
N#Cc1c(I)cc(Br)cc1[N+](=O)[O-]	ZINC000575691849	518248940	/nfs/dbraw/zinc/24/89/40/518248940.db2.gz	JOJDALKLJMNDBN-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000042143180	506602928	/nfs/dbraw/zinc/60/29/28/506602928.db2.gz	QBWYGMNAQCODQV-UONOGXRCSA-N	0	0	352.390	2.974	10	30		FFEERN
CC(C)[C@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000043068047	506693192	/nfs/dbraw/zinc/69/31/92/506693192.db2.gz	CMVJEEBNDJDPLJ-AWEZNQCLSA-N	0	0	354.458	2.602	10	30		FFEERN
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)N1CCOCC1	ZINC000066955215	506710616	/nfs/dbraw/zinc/71/06/16/506710616.db2.gz	PILRAFBMRFMPHL-LSDHHAIUSA-N	0	0	362.499	2.923	10	30		FFEERN
Cc1csc(N2CCCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)n1	ZINC000055759374	506845742	/nfs/dbraw/zinc/84/57/42/506845742.db2.gz	YJCARMPQFGZWHC-OAHLLOKOSA-N	0	0	370.478	2.829	10	30		FFEERN
N#Cc1cccc(NC(=O)CNC(=O)c2ccccc2Br)c1	ZINC000015738837	507057513	/nfs/dbraw/zinc/05/75/13/507057513.db2.gz	VAKAEGJXYONPPZ-UHFFFAOYSA-N	0	0	358.195	2.689	10	30		FFEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1	ZINC000017964253	507131686	/nfs/dbraw/zinc/13/16/86/507131686.db2.gz	MBSSGLRHYHMEBT-HNNXBMFYSA-N	0	0	358.463	2.950	10	30		FFEERN
Cc1sc(N)nc1-c1cc(-c2cnn(C)c2C2CC2)c(C#N)c(N)n1	ZINC000071752548	507710105	/nfs/dbraw/zinc/71/01/05/507710105.db2.gz	ZCAUGSCLIUWIEJ-UHFFFAOYSA-N	0	0	351.439	2.828	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)Cc1cccc(C#N)c1	ZINC000108400603	507893025	/nfs/dbraw/zinc/89/30/25/507893025.db2.gz	UBLWGPKPQIUXAV-QGZVFWFLSA-N	0	0	358.467	2.576	10	30		FFEERN
C=CCn1c(-c2sc(NC(=O)[C@@H](C)COC)nc2C)n[nH]c1=S	ZINC000108889901	507923625	/nfs/dbraw/zinc/92/36/25/507923625.db2.gz	OJEVMNAGWUWKKU-QMMMGPOBSA-N	0	0	353.473	2.780	10	30		FFEERN
O=C(Nc1n[nH]c(-c2ccco2)n1)[C@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000073973172	507972905	/nfs/dbraw/zinc/97/29/05/507972905.db2.gz	JMZNLLMUVRZBCV-AWEZNQCLSA-N	0	0	365.393	2.744	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCO[C@@H](c3nccs3)C2)cc1OC	ZINC000110876777	508052749	/nfs/dbraw/zinc/05/27/49/508052749.db2.gz	LFSIROIKUCFXSD-MRXNPFEDSA-N	0	0	360.435	2.930	10	30		FFEERN
CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)c1cc(C#N)ccn1	ZINC000095086703	508172700	/nfs/dbraw/zinc/17/27/00/508172700.db2.gz	CIVHREYEJJQQRP-AWEZNQCLSA-N	0	0	365.455	2.517	10	30		FFEERN
C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000081568481	508190916	/nfs/dbraw/zinc/19/09/16/508190916.db2.gz	RKILDOGPTCQKBE-LLVKDONJSA-N	0	0	351.834	2.812	10	30		FFEERN
CN(C[C@H](O)COCc1ccccc1)C(=O)CSc1ccc(C#N)cc1	ZINC000081967336	508222870	/nfs/dbraw/zinc/22/28/70/508222870.db2.gz	HVXIZNXTVPJTON-SFHVURJKSA-N	0	0	370.474	2.686	10	30		FFEERN
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)o1	ZINC000076586907	508227714	/nfs/dbraw/zinc/22/77/14/508227714.db2.gz	CDWUUUGGSGFMHG-SNVBAGLBSA-N	0	0	363.320	2.877	10	30		FFEERN
CCc1cc(C#N)ccc1Nc1c(N[C@@H]2CCC[C@]23CCCO3)c(=O)c1=O	ZINC000100159242	508238803	/nfs/dbraw/zinc/23/88/03/508238803.db2.gz	CLOFODXPVDVGGV-IERDGZPVSA-N	0	0	365.433	2.974	10	30		FFEERN
N#Cc1cccc(OCCSCC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1	ZINC000101585155	508249591	/nfs/dbraw/zinc/24/95/91/508249591.db2.gz	XARUMILBEGUEQX-ROUUACIJSA-N	0	0	360.479	2.840	10	30		FFEERN
COc1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2C)cc1OC	ZINC000077386038	508309024	/nfs/dbraw/zinc/30/90/24/508309024.db2.gz	KVVMHUYECQAFCR-ZDUSSCGKSA-N	0	0	360.435	2.923	10	30		FFEERN
C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000077498745	508323797	/nfs/dbraw/zinc/32/37/97/508323797.db2.gz	JQPYGUUKMJBXRE-LLVKDONJSA-N	0	0	361.398	2.984	10	30		FFEERN
CN(C)c1ccc(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1	ZINC000114564668	508326740	/nfs/dbraw/zinc/32/67/40/508326740.db2.gz	ROLNYQTVRHCCMK-HXUWFJFHSA-N	0	0	363.465	2.994	10	30		FFEERN
CCCC(=O)NCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	ZINC000104394315	508334028	/nfs/dbraw/zinc/33/40/28/508334028.db2.gz	IMJBAFOKYWAAOJ-IBGZPJMESA-N	0	0	365.433	2.863	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)N[C@H]2CCc3nc(CC)nn3C2)c1	ZINC000114906059	508357315	/nfs/dbraw/zinc/35/73/15/508357315.db2.gz	CMYMMCXXKSCXSL-HNNXBMFYSA-N	0	0	355.442	2.932	10	30		FFEERN
Cc1nc(C[C@H]2CCCN(C(=O)NCc3ccc(C#N)cc3F)C2)no1	ZINC000105721690	508382133	/nfs/dbraw/zinc/38/21/33/508382133.db2.gz	HETLVVSTKGCQGN-CQSZACIVSA-N	0	0	357.389	2.553	10	30		FFEERN
C=CCOc1ccc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cc1	ZINC000122248271	508505981	/nfs/dbraw/zinc/50/59/81/508505981.db2.gz	QXUCMZYESKNJME-QGZVFWFLSA-N	0	0	352.438	2.782	10	30		FFEERN
Cc1csc([C@H]2CN(CCC(=O)Nc3sccc3C#N)CCO2)n1	ZINC000157072552	508518894	/nfs/dbraw/zinc/51/88/94/508518894.db2.gz	PETAWMUHTADULO-CYBMUJFWSA-N	0	0	362.480	2.787	10	30		FFEERN
C=CCOc1ccc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)cc1OC	ZINC000122599535	508560058	/nfs/dbraw/zinc/56/00/58/508560058.db2.gz	NYJSCPOFPVIOSU-IBGZPJMESA-N	0	0	371.481	2.974	10	30		FFEERN
CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1C#N	ZINC000157771219	508610120	/nfs/dbraw/zinc/61/01/20/508610120.db2.gz	ROBPEUQPVLRUMY-MRXNPFEDSA-N	0	0	354.414	2.806	10	30		FFEERN
Cn1nccc1C1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000157803723	508613955	/nfs/dbraw/zinc/61/39/55/508613955.db2.gz	PBOYCKFBSFHLHQ-UHFFFAOYSA-N	0	0	364.858	2.513	10	30		FFEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000123863128	508749787	/nfs/dbraw/zinc/74/97/87/508749787.db2.gz	ZVOZEJTVDMQJSP-ROUUACIJSA-N	0	0	374.437	2.974	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1	ZINC000130718227	508836249	/nfs/dbraw/zinc/83/62/49/508836249.db2.gz	GEAQEVYCMBXSIC-BJMVGYQFSA-N	0	0	359.385	2.764	10	30		FFEERN
Cc1cc(OCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(C#N)c(C)n1	ZINC000119846679	508875615	/nfs/dbraw/zinc/87/56/15/508875615.db2.gz	UBRHUVGKQOXJRZ-LJQANCHMSA-N	0	0	369.396	2.688	10	30		FFEERN
C=CCOc1ccc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1OC	ZINC000150713705	508879089	/nfs/dbraw/zinc/87/90/89/508879089.db2.gz	JNPDFMBNKXWFFM-OAHLLOKOSA-N	0	0	370.453	2.720	10	30		FFEERN
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCc3cc(F)ccc32)ccc1F	ZINC000155388338	508990073	/nfs/dbraw/zinc/99/00/73/508990073.db2.gz	QHOHHGYXAPCGKV-QGZVFWFLSA-N	0	0	355.344	2.969	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1	ZINC000121571148	509178703	/nfs/dbraw/zinc/17/87/03/509178703.db2.gz	OAOGDRFZMVIDTK-CRAIPNDOSA-N	0	0	357.360	2.583	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1	ZINC000191801448	509187360	/nfs/dbraw/zinc/18/73/60/509187360.db2.gz	BMIDXDLNYQAWAU-UHFFFAOYSA-N	0	0	374.441	2.709	10	30		FFEERN
CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)cs2)c2ccc(F)cc2C1	ZINC000185514565	509214800	/nfs/dbraw/zinc/21/48/00/509214800.db2.gz	UTIKYAQRLPXCJF-INIZCTEOSA-N	0	0	357.410	2.982	10	30		FFEERN
N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@H](N2CCOCC2)C1	ZINC000172757480	509217776	/nfs/dbraw/zinc/21/77/76/509217776.db2.gz	UIFOITFAYCKWLI-SFHVURJKSA-N	0	0	361.445	2.772	10	30		FFEERN
N#CCCN(C(=O)CN1CCC[C@H](n2cncn2)C1)c1cccc(Cl)c1	ZINC000162516947	509242017	/nfs/dbraw/zinc/24/20/17/509242017.db2.gz	SJVXFLKRRSQSLG-KRWDZBQOSA-N	0	0	372.860	2.515	10	30		FFEERN
Cc1ccc([C@@H]2CN(C(=O)NCc3ccc(OCC#N)cc3)CCO2)o1	ZINC000179216802	509324243	/nfs/dbraw/zinc/32/42/43/509324243.db2.gz	DKDIPMKJPMXZDE-SFHVURJKSA-N	0	0	355.394	2.774	10	30		FFEERN
N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C3CCCCC3)C2=O)cc1	ZINC000192124637	509357465	/nfs/dbraw/zinc/35/74/65/509357465.db2.gz	ALFQQPSLMRRRSK-AQNXPRMDSA-N	0	0	365.477	2.992	10	30		FFEERN
C=CCc1cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc(OC)c1OC	ZINC000179351814	509394383	/nfs/dbraw/zinc/39/43/83/509394383.db2.gz	UUUVUEINLXAQMK-OAHLLOKOSA-N	0	0	356.426	2.918	10	30		FFEERN
N#CCCN(C[C@H](O)COc1cccc(Br)c1)CC1CC1	ZINC000176258393	509408162	/nfs/dbraw/zinc/40/81/62/509408162.db2.gz	AECGPLVZXVETPW-HNNXBMFYSA-N	0	0	353.260	2.814	10	30		FFEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000176519091	509558133	/nfs/dbraw/zinc/55/81/33/509558133.db2.gz	LSGDGKAYPODFPY-QGZVFWFLSA-N	0	0	364.453	2.921	10	30		FFEERN
CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1ccc(C#N)cc1	ZINC000176524462	509561259	/nfs/dbraw/zinc/56/12/59/509561259.db2.gz	GAKHTPWHYINRGO-QGZVFWFLSA-N	0	0	355.463	2.765	10	30		FFEERN
Cc1nn(C)cc1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000189652782	509682677	/nfs/dbraw/zinc/68/26/77/509682677.db2.gz	ZSXUFTQFPQHTHS-UHFFFAOYSA-N	0	0	354.414	2.507	10	30		FFEERN
C=CCOCCCC(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000183261346	509684800	/nfs/dbraw/zinc/68/48/00/509684800.db2.gz	YDZAELUDRFEWBJ-JYJNAYRXSA-N	0	0	352.475	2.731	10	30		FFEERN
Cn1cc([C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccc(C#N)o2)cn1	ZINC000183265237	509688672	/nfs/dbraw/zinc/68/86/72/509688672.db2.gz	GHZOMELHSWPVRP-QGZVFWFLSA-N	0	0	371.441	2.679	10	30		FFEERN
C[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1nnc2n1CCCC2	ZINC000180049026	509726136	/nfs/dbraw/zinc/72/61/36/509726136.db2.gz	PTDGLCWUFZPUQF-QWHCGFSZSA-N	0	0	354.414	2.788	10	30		FFEERN
Cc1csc([C@@H]2CN([C@H](C)C(=O)Nc3cccc(C#N)c3)CCO2)n1	ZINC000249894540	509778819	/nfs/dbraw/zinc/77/88/19/509778819.db2.gz	RIQOWSCKTNIKGI-CJNGLKHVSA-N	0	0	356.451	2.724	10	30		FFEERN
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1nn(C(C)C)cc1C#N	ZINC000176994014	509806621	/nfs/dbraw/zinc/80/66/21/509806621.db2.gz	NTCMDGIIKVWDMH-GOSISDBHSA-N	0	0	365.437	2.810	10	30		FFEERN
CCC(C)(C)N(CCC#N)C(=O)C1CCN(c2nccc(OC)n2)CC1	ZINC000189927123	509833168	/nfs/dbraw/zinc/83/31/68/509833168.db2.gz	MLMWVEXYDHRWJS-UHFFFAOYSA-N	0	0	359.474	2.632	10	30		FFEERN
COC[C@H](C)OC[C@@H](C)OC[C@@H](C)OS(=O)(=O)c1ccc(C)cc1	ZINC000242473366	509846907	/nfs/dbraw/zinc/84/69/07/509846907.db2.gz	FHXUXRSOESBUSF-ARFHVFGLSA-N	0	0	360.472	2.545	10	30		FFEERN
CCCC(=O)N[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000245201724	509881796	/nfs/dbraw/zinc/88/17/96/509881796.db2.gz	TXYBBJTTZUGLOJ-MSOLQXFVSA-N	0	0	370.497	2.702	10	30		FFEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCCC[C@@H]1c1cn[nH]c1	ZINC000193411203	509904204	/nfs/dbraw/zinc/90/42/04/509904204.db2.gz	WVCZXQZGZOTQHD-OAHLLOKOSA-N	0	0	368.441	2.530	10	30		FFEERN
COc1cc(C=NNS(=O)(=O)c2ccc3ccccc3c2)ccc1O	ZINC000254439967	509906223	/nfs/dbraw/zinc/90/62/23/509906223.db2.gz	AFHBGIZGQXTVFE-UHFFFAOYSA-N	0	0	356.403	2.866	10	30		FFEERN
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21	ZINC000186841915	509910580	/nfs/dbraw/zinc/91/05/80/509910580.db2.gz	UUWCOMHZBSOALO-QUCCMNQESA-N	0	0	362.445	2.964	10	30		FFEERN
CO[C@H]1C[C@@H](c2nc(C)no2)N(c2nc(C(F)(F)F)ccc2C#N)C1	ZINC000190086885	509931833	/nfs/dbraw/zinc/93/18/33/509931833.db2.gz	UHDCRFRRNKXJML-QWRGUYRKSA-N	0	0	353.304	2.630	10	30		FFEERN
CCOc1ccc(-n2nc(C#N)c(N(CCO)Cc3ccccc3)n2)cc1	ZINC000256047895	509942695	/nfs/dbraw/zinc/94/26/95/509942695.db2.gz	PFMIUZPGUMLYEU-UHFFFAOYSA-N	0	0	363.421	2.537	10	30		FFEERN
N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	ZINC000171108575	509949102	/nfs/dbraw/zinc/94/91/02/509949102.db2.gz	LXXVZRQCDMVGFO-ZIAGYGMSSA-N	0	0	353.344	2.525	10	30		FFEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)n1	ZINC000187069403	510037019	/nfs/dbraw/zinc/03/70/19/510037019.db2.gz	ZYRSXQMCTPCQOD-SFHVURJKSA-N	0	0	363.465	2.737	10	30		FFEERN
CCO[C@H]1C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C12CCOCC2	ZINC000187097069	510054813	/nfs/dbraw/zinc/05/48/13/510054813.db2.gz	SWARITJLBTXJBU-ROUUACIJSA-N	0	0	354.450	2.946	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1	ZINC000177567604	510137106	/nfs/dbraw/zinc/13/71/06/510137106.db2.gz	GRUQUXWAFXJPLJ-FQEVSTJZSA-N	0	0	370.412	2.992	10	30		FFEERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193995039	510166861	/nfs/dbraw/zinc/16/68/61/510166861.db2.gz	YSAWFAAGXZIFSG-ZIAGYGMSSA-N	0	0	372.429	2.800	10	30		FFEERN
Cc1cccc2[nH]c(CCC(=O)Nc3cnn(-c4ncccc4C#N)c3)nc21	ZINC000184284536	510240920	/nfs/dbraw/zinc/24/09/20/510240920.db2.gz	MMNBMHVNGCSCIY-UHFFFAOYSA-N	0	0	371.404	2.895	10	30		FFEERN
Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)c1cccc(CC#N)c1	ZINC000184337202	510269821	/nfs/dbraw/zinc/26/98/21/510269821.db2.gz	PPFOYHMQURRIEO-GOSISDBHSA-N	0	0	351.381	2.514	10	30		FFEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](c2nccs2)C1	ZINC000171644587	510272396	/nfs/dbraw/zinc/27/23/96/510272396.db2.gz	LSORCGLWTVBWPZ-AWEZNQCLSA-N	0	0	370.478	2.659	10	30		FFEERN
CCc1noc([C@H](C)N2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)n1	ZINC000177913293	510322337	/nfs/dbraw/zinc/32/23/37/510322337.db2.gz	AVSHJZRVXKEARE-LBPRGKRZSA-N	0	0	372.404	2.553	10	30		FFEERN
N#Cc1ccc(C2(C(=O)N[C@@H]3CCS(=O)(=O)c4ccccc43)CC2)cc1	ZINC000187578411	510337846	/nfs/dbraw/zinc/33/78/46/510337846.db2.gz	WWSATPSYASNTOL-QGZVFWFLSA-N	0	0	366.442	2.625	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCCC[C@@H](N3CCN(C)CC3)C2)c1C	ZINC000174889200	510368528	/nfs/dbraw/zinc/36/85/28/510368528.db2.gz	ZJEFPYVSTUGRDS-HXUWFJFHSA-N	0	0	372.557	2.576	10	30		FFEERN
C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccc2c(c1)OCCO2	ZINC000171826124	510394510	/nfs/dbraw/zinc/39/45/10/510394510.db2.gz	RPOUVESADLJGHK-AWEZNQCLSA-N	0	0	352.390	2.780	10	30		FFEERN
Cc1cc(N2CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)n[nH]1	ZINC000187809355	510448054	/nfs/dbraw/zinc/44/80/54/510448054.db2.gz	QTHXDTMAGBWXTF-UHFFFAOYSA-N	0	0	368.441	2.731	10	30		FFEERN
C#CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1	ZINC000246532859	510542560	/nfs/dbraw/zinc/54/25/60/510542560.db2.gz	UXGFXAUNDJORHS-YLJYHZDGSA-N	0	0	354.498	2.879	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N1CCCN(c2ccccn2)CC1	ZINC000188090191	510588288	/nfs/dbraw/zinc/58/82/88/510588288.db2.gz	ZNCVRCHMLQTDIP-UHFFFAOYSA-N	0	0	350.422	2.838	10	30		FFEERN
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](Oc2cccnc2)C1	ZINC000246669311	510608848	/nfs/dbraw/zinc/60/88/48/510608848.db2.gz	LZXGXZJAKUNFBN-YLJYHZDGSA-N	0	0	364.449	2.870	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]1c1noc(C(C)C)n1	ZINC000188138684	510613256	/nfs/dbraw/zinc/61/32/56/510613256.db2.gz	BQGCHCGWYIACJY-HNNXBMFYSA-N	0	0	367.409	2.675	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H](c2nccs2)C1	ZINC000178515844	510639527	/nfs/dbraw/zinc/63/95/27/510639527.db2.gz	IVJRFYHBZMOVJI-AWEZNQCLSA-N	0	0	354.435	2.668	10	30		FFEERN
COc1ccc([C@H](C)NS(=O)(=O)c2cccc(C)c2C#N)cc1OC	ZINC000178515010	510640261	/nfs/dbraw/zinc/64/02/61/510640261.db2.gz	FVJBAUVYQTXQLD-ZDUSSCGKSA-N	0	0	360.435	2.923	10	30		FFEERN
N#Cc1ccc(CNC(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1	ZINC000172350574	510685139	/nfs/dbraw/zinc/68/51/39/510685139.db2.gz	WFTSRXOEHAQQKC-UHFFFAOYSA-N	0	0	361.405	2.731	10	30		FFEERN
C=CCSCCNC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1	ZINC000178614479	510686673	/nfs/dbraw/zinc/68/66/73/510686673.db2.gz	NXXFNBVGHWTQAW-CABCVRRESA-N	0	0	369.556	2.728	10	30		FFEERN
CO[C@H](C)c1nc(C)c(C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)s1	ZINC000329933745	510881535	/nfs/dbraw/zinc/88/15/35/510881535.db2.gz	BQZUQLOSSDHODE-CHWSQXEVSA-N	0	0	363.487	2.866	10	30		FFEERN
CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)C1	ZINC000329940693	510883166	/nfs/dbraw/zinc/88/31/66/510883166.db2.gz	BUMPDSMGPWXWTB-OAHLLOKOSA-N	0	0	364.471	2.747	10	30		FFEERN
C[C@@H]1CCN(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)CCS1	ZINC000329960730	510887452	/nfs/dbraw/zinc/88/74/52/510887452.db2.gz	OCCNEBFGAAXXBH-HFTRVMKXSA-N	0	0	361.511	2.947	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCO[C@@H]3c3cccnc3)C2)nn1	ZINC000330105227	510916742	/nfs/dbraw/zinc/91/67/42/510916742.db2.gz	JJWKTJWJCBQDSM-JENIJYKNSA-N	0	0	367.453	2.883	10	30		FFEERN
O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)[C@H]1CCC(F)(F)C1	ZINC000330108754	510917882	/nfs/dbraw/zinc/91/78/82/510917882.db2.gz	OBCOEYYIVGCIKD-STQMWFEESA-N	0	0	364.400	2.733	10	30		FFEERN
C[C@H]1CC(CNC(=O)N2CCN(c3ccccc3C#N)CC2)C[C@H](C)O1	ZINC000282324029	510931541	/nfs/dbraw/zinc/93/15/41/510931541.db2.gz	TYKRSAYXFUEFKG-HOTGVXAUSA-N	0	0	356.470	2.593	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cs1	ZINC000330278042	510954544	/nfs/dbraw/zinc/95/45/44/510954544.db2.gz	PBVJQIBDTNZOKY-UKPHBRMFSA-N	0	0	351.472	2.841	10	30		FFEERN
C[C@]1(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)CCCNC1=O	ZINC000330294203	510959732	/nfs/dbraw/zinc/95/97/32/510959732.db2.gz	FBXMIZQAWVSONI-YWZLYKJASA-N	0	0	357.454	2.986	10	30		FFEERN
N#Cc1cc(I)c(I)cc1F	ZINC000307421913	511765977	/nfs/dbraw/zinc/76/59/77/511765977.db2.gz	MNBRDVCXCNRASW-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
CC(C)n1cc([C@@]2(O)CCCN(Cc3ccc(Cl)cc3C#N)C2)nn1	ZINC000284749512	511851962	/nfs/dbraw/zinc/85/19/62/511851962.db2.gz	XKYXZBKMYVVISM-GOSISDBHSA-N	0	0	359.861	2.868	10	30		FFEERN
Cc1cnc([C@H](C)CNC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)s1	ZINC000328602800	511891155	/nfs/dbraw/zinc/89/11/55/511891155.db2.gz	HEUDSGSDNCWVCG-YUELXQCFSA-N	0	0	364.515	2.850	10	30		FFEERN
C[C@](C#N)(NC(=O)CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)C1CC1	ZINC000328707869	511918425	/nfs/dbraw/zinc/91/84/25/511918425.db2.gz	ZQLRQLIFOHYUHV-KPOBHBOGSA-N	0	0	363.421	2.630	10	30		FFEERN
C[C@H](C(=O)NC[C@@H]1CCCO1)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000328706246	511918727	/nfs/dbraw/zinc/91/87/27/511918727.db2.gz	YZKDFUMWWQKVNP-XGKMFUNXSA-N	0	0	368.437	2.505	10	30		FFEERN
C[C@@H]1CN(Cc2ccccc2NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)C[C@@H](C)O1	ZINC000328850801	511941503	/nfs/dbraw/zinc/94/15/03/511941503.db2.gz	UTKSNKAQCDKRNF-PBGAUENZSA-N	0	0	373.497	2.998	10	30		FFEERN
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CCO[C@@H]2c2nccn2CC)C12CCC2	ZINC000328991589	511962781	/nfs/dbraw/zinc/96/27/81/511962781.db2.gz	FPLCRPMOZRSDLW-JJXSEGSLSA-N	0	0	362.474	2.584	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)Nc3ccnc(Oc4ccccc4)c3)C[C@@H]21	ZINC000328995726	511964152	/nfs/dbraw/zinc/96/41/52/511964152.db2.gz	FKMXGHYXPNVHBV-ZWKOTPCHSA-N	0	0	368.437	2.824	10	30		FFEERN
O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1COc2ccccc2O1	ZINC000329116409	511985703	/nfs/dbraw/zinc/98/57/03/511985703.db2.gz	NIMWNWLJWRSHBC-KCXAZCMYSA-N	0	0	371.393	2.964	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CC[C@H](C)[C@@H](C)C2)on1	ZINC000329234485	512010284	/nfs/dbraw/zinc/01/02/84/512010284.db2.gz	HUYUSYFEIUJNCR-SDADXPQNSA-N	0	0	352.454	2.787	10	30		FFEERN
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCn2ccnc2C1	ZINC000329267674	512017534	/nfs/dbraw/zinc/01/75/34/512017534.db2.gz	DKDJYCZZJXOCBQ-UHFFFAOYSA-N	0	0	356.470	2.788	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCC2	ZINC000329487691	512055990	/nfs/dbraw/zinc/05/59/90/512055990.db2.gz	GTTQJSSREPWTGQ-DOTOQJQBSA-N	0	0	374.485	2.655	10	30		FFEERN
CC(=O)N1C[C@H](CCC(=O)N[C@@H](C)CN2CCOCC2)c2ccccc21	ZINC000329621413	512078244	/nfs/dbraw/zinc/07/82/44/512078244.db2.gz	MXYZTGKQSWJICD-RDJZCZTQSA-N	0	0	359.470	2.594	10	30		FFEERN
CC(=O)N1C[C@H](CCC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c2ccccc21	ZINC000329643776	512081629	/nfs/dbraw/zinc/08/16/29/512081629.db2.gz	YYUHQRCUTDIYHT-LSDHHAIUSA-N	0	0	355.438	2.637	10	30		FFEERN
O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000329736378	512091980	/nfs/dbraw/zinc/09/19/80/512091980.db2.gz	LJNPWFJRZTXXRK-SJKOYZFVSA-N	0	0	350.426	2.894	10	30		FFEERN
CC(=O)N1C[C@H](CCC(=O)NC[C@H](C)N2CCOCC2)c2ccccc21	ZINC000329850283	512104037	/nfs/dbraw/zinc/10/40/37/512104037.db2.gz	ZQJCEPXPBWWTBN-RDJZCZTQSA-N	0	0	359.470	2.594	10	30		FFEERN
Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cnn1C	ZINC000329890942	512105628	/nfs/dbraw/zinc/10/56/28/512105628.db2.gz	HBQJOGZMDGVWFY-YQYZPQCESA-N	0	0	365.499	2.817	10	30		FFEERN
N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F	ZINC000408002291	512982682	/nfs/dbraw/zinc/98/26/82/512982682.db2.gz	FFQMHMLXPJNWGK-HQJQHLMTSA-N	0	0	365.199	2.698	10	30		FFEERN
CCOC(=O)c1cc(OC(F)F)cc(I)c1C#N	ZINC000575386554	518208847	/nfs/dbraw/zinc/20/88/47/518208847.db2.gz	YKEBAAJOMFPJPM-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
N#Cc1ccc(Oc2ccc3nc(C(=O)N[C@@H]4CCOC4=O)ccc3c2)cc1	ZINC000584629807	518416708	/nfs/dbraw/zinc/41/67/08/518416708.db2.gz	OIHLAZOYTBWLPU-LJQANCHMSA-N	0	0	373.368	2.944	10	30		FFEERN
CC1(C)CN(C(=O)c2cnccc2C#N)C[C@@H](COc2ccccc2)O1	ZINC000571813840	519288717	/nfs/dbraw/zinc/28/87/17/519288717.db2.gz	UDVWHXHVUGVHEH-KRWDZBQOSA-N	0	0	351.406	2.652	10	30		FFEERN
C[C@@H]1C(c2cccs2)=[N+]([O-])[C@](C)(C(=O)c2ccc(Cl)cc2)N1O	ZINC000575330090	519592403	/nfs/dbraw/zinc/59/24/03/519592403.db2.gz	JGFIEPUHZULZGF-OHYUPERPSA-N	0	0	351.835	2.690	10	30		FFEERN
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)C(=O)N1CCCC1	ZINC000155452146	728828938	/nfs/dbraw/zinc/82/89/38/728828938.db2.gz	PWYQUUXJJGPBPW-SOUVJXGZSA-N	0	0	361.239	2.884	10	30		FFEERN
C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(F)c(Cl)c1	ZINC000118779270	728584576	/nfs/dbraw/zinc/58/45/76/728584576.db2.gz	SAXCXVRYQSXGDL-ONJZUOQNSA-N	0	0	365.792	2.573	10	30		FFEERN
C=CCn1c(SCc2nnc(C3CC3)n2C)nc2ccccc2c1=O	ZINC000130484249	728718517	/nfs/dbraw/zinc/71/85/17/728718517.db2.gz	JHNCUHHEIBLNNF-UHFFFAOYSA-N	0	0	353.451	2.881	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1	ZINC000177626644	729141043	/nfs/dbraw/zinc/14/10/43/729141043.db2.gz	STBIOYYLRBPBST-NWDGAFQWSA-N	0	0	363.380	2.984	10	30		FFEERN
COC(=O)C1CCC(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)CC1	ZINC000181010535	729230985	/nfs/dbraw/zinc/23/09/85/729230985.db2.gz	TVGHOJKXQBHGGO-KOHJWAIASA-N	0	0	362.813	2.967	10	30		FFEERN
C[C@@H]1[C@@H](NC(=O)N2CCC(C#N)CC2)CCCN1C(=O)OC(C)(C)C	ZINC000188312833	729386879	/nfs/dbraw/zinc/38/68/79/729386879.db2.gz	GCBLOMCIONBPIZ-HIFRSBDPSA-N	0	0	350.463	2.720	10	30		FFEERN
O=C(NC1CCC(C(F)(F)F)CC1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000329235407	729796762	/nfs/dbraw/zinc/79/67/62/729796762.db2.gz	NKWVGFSZSYDEBN-PCGVCOGMSA-N	0	0	364.408	2.883	10	30		FFEERN
CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1	ZINC000329196341	729796819	/nfs/dbraw/zinc/79/68/19/729796819.db2.gz	VVFRMWSWZCOTMA-INIZCTEOSA-N	0	0	350.484	2.553	10	30		FFEERN
Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H]1CCCS(=O)(=O)C1)C(C)C	ZINC000329700460	729798729	/nfs/dbraw/zinc/79/87/29/729798729.db2.gz	GSXHWWADVKLGBX-ZBFHGGJFSA-N	0	0	366.483	2.858	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2cc(Cl)ccc2C#N)C1	ZINC000702769875	734357093	/nfs/dbraw/zinc/35/70/93/734357093.db2.gz	PCHBXFZXOXCOPF-SWLSCSKDSA-N	0	0	351.834	2.851	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(F)c(C)c3)cc2C1=O	ZINC000011004662	1013345422	/nfs/dbraw/zinc/34/54/22/1013345422.db2.gz	ANGGAMULNKLDIE-UHFFFAOYSA-N	0	0	352.365	2.846	10	30		FFEERN
CCOc1cc(/C=C\C(=O)NCCOc2ccc(C#N)cc2)ccc1O	ZINC000588413794	963872200	/nfs/dbraw/zinc/87/22/00/963872200.db2.gz	FWGFOTXKIZGLKS-POHAHGRESA-N	0	0	352.390	2.871	10	30		FFEERN
O=C(CN1CCO[C@@H]2CCCC[C@@H]21)NCc1cnn(-c2ccccc2)c1	ZINC000329157511	967527446	/nfs/dbraw/zinc/52/74/46/967527446.db2.gz	WHZVPEHDHMXUDJ-RBUKOAKNSA-N	0	0	354.454	2.972	10	30		FFEERN
Cn1cc(N2CCC[C@@H](NC(=O)C3C4CC5CC(C4)CC3C5)C2=O)cn1	ZINC000329705093	967956967	/nfs/dbraw/zinc/95/69/67/967956967.db2.gz	JDIKBJGADACWBH-IWZRMPOGSA-N	0	0	356.470	2.944	10	30		FFEERN
CC(C)n1nnnc1-c1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1F	ZINC000329732406	967983495	/nfs/dbraw/zinc/98/34/95/967983495.db2.gz	IUNXXMMJAMXMON-IAQYHMDHSA-N	0	0	357.393	2.887	10	30		FFEERN
CCC1CCC(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)CC1	ZINC000329922629	969106760	/nfs/dbraw/zinc/10/67/60/969106760.db2.gz	GMJWTJAGNDUSFB-GRAKBVBRSA-N	0	0	367.469	2.763	10	30		FFEERN
[O-]C(=[NH+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCO[C@H](Cn2cccn2)C1	ZINC000330141910	970500495	/nfs/dbraw/zinc/50/04/95/970500495.db2.gz	XZCQQMUFAZTEDS-KKUMJFAQSA-N	0	0	374.407	2.867	10	30		FFEERN
CCc1nc(C2(NCC(=O)N(C)C3(C#N)CCCCC3)CCCC2)no1	ZINC000173689729	996166907	/nfs/dbraw/zinc/16/69/07/996166907.db2.gz	ZNZSXTBCYREACM-UHFFFAOYSA-N	0	0	359.474	2.676	10	30		FFEERN
C#CCNC(=O)c1ccccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000102638118	1003943735	/nfs/dbraw/zinc/94/37/35/1003943735.db2.gz	PTLHUUIRNOSLNS-UHFFFAOYSA-N	0	0	362.345	2.691	10	30		FFEERN
C#CCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CC=C)C3=O)cc1	ZINC000108186329	1005613148	/nfs/dbraw/zinc/61/31/48/1005613148.db2.gz	ZDCHNCDFXKDKFN-UHFFFAOYSA-N	0	0	360.369	2.733	10	30		FFEERN
C#CCOc1ccc(NC(=O)NC2CCN(c3ccccn3)CC2)cc1	ZINC000108523218	1005679595	/nfs/dbraw/zinc/67/95/95/1005679595.db2.gz	HDMWADGTXOKFBE-UHFFFAOYSA-N	0	0	350.422	2.884	10	30		FFEERN
CCc1cccc2c(CC(=O)[C@@H](C#N)C(=O)NCCCOC(C)C)c[nH]c21	ZINC000109413085	1005826490	/nfs/dbraw/zinc/82/64/90/1005826490.db2.gz	BMFWDTJPOMKDAM-GOSISDBHSA-N	0	0	369.465	2.913	10	30		FFEERN
CNC(=O)c1cncc(/C=C/C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1	ZINC000110202409	1005914741	/nfs/dbraw/zinc/91/47/41/1005914741.db2.gz	DVPGHTCTXQCCKN-CMDGGOBGSA-N	0	0	362.433	2.763	10	30		FFEERN
O=c1c(C#Cc2cncnc2)c(C2CC2)ccn1N1CCc2ccccc21	ZINC000089209909	203924735	/nfs/dbraw/zinc/92/47/35/203924735.db2.gz	URJSSNQLARSAOU-UHFFFAOYSA-N	0	0	354.413	2.741	10	30		FFEERN
Cc1ccc(S(=O)(=O)N/N=C(/Cl)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000003077751	204077242	/nfs/dbraw/zinc/07/72/42/204077242.db2.gz	YYLROGJJMFYHFE-JQIJEIRASA-N	0	0	353.787	2.782	10	30		FFEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(F)c(F)c1	ZINC000009689988	204378806	/nfs/dbraw/zinc/37/88/06/204378806.db2.gz	QEDOSGIYZYMTAC-LLVKDONJSA-N	0	0	359.376	2.952	10	30		FFEERN
Cc1ccc(Nc2ncnc(N(CC#N)CC#N)c2[N+](=O)[O-])cc1Cl	ZINC000040590867	205073992	/nfs/dbraw/zinc/07/39/92/205073992.db2.gz	UDGNTSFGWPUZBO-UHFFFAOYSA-N	0	0	357.761	2.944	10	30		FFEERN
N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000042039945	249385822	/nfs/dbraw/zinc/38/58/22/249385822.db2.gz	XNTJBYPIMIIEEA-OAGJVSPASA-N	0	0	352.415	2.606	10	30		FFEERN
CNc1cc(N2CCC[C@@H]2CNc2cc(C(C)=O)ccc2C#N)ncn1	ZINC000272581987	252072158	/nfs/dbraw/zinc/07/21/58/252072158.db2.gz	VFJWRRLEHIWHJZ-MRXNPFEDSA-N	0	0	350.426	2.673	10	30		FFEERN
N#Cc1cccnc1N1CCCN(c2c(F)c(F)nc(F)c2F)CC1	ZINC000301585413	258056947	/nfs/dbraw/zinc/05/69/47/258056947.db2.gz	AZYFVLLZBJWGEM-UHFFFAOYSA-N	0	0	351.307	2.621	10	30		FFEERN
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H]1C[C@H]1c1ccccc1	ZINC000328891713	258123548	/nfs/dbraw/zinc/12/35/48/258123548.db2.gz	SOHQJPCEOBYRHA-NJAFHUGGSA-N	0	0	361.449	2.579	10	30		FFEERN
N#Cc1ccc(CN2CCCN(S(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1	ZINC000333227284	258257030	/nfs/dbraw/zinc/25/70/30/258257030.db2.gz	XPLMIGONCMYUCP-HSALFYBXSA-N	0	0	373.522	2.584	10	30		FFEERN
COC(=O)Cc1cc(I)cc(C(F)(F)F)c1C#N	ZINC000575392700	518209453	/nfs/dbraw/zinc/20/94/53/518209453.db2.gz	OUIYTJKRXCIZPZ-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
CCCCCCCCCCS(=O)(=O)N[C@@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000014115742	506968464	/nfs/dbraw/zinc/96/84/64/506968464.db2.gz	PBVMZBODCAFBMJ-INIZCTEOSA-O	0	0	365.560	2.596	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2n2cccn2)ccc1Cl	ZINC000072720919	507847236	/nfs/dbraw/zinc/84/72/36/507847236.db2.gz	OZHYIINJPIRLIG-HOTGVXAUSA-N	0	0	364.858	2.870	10	30		FFEERN
Cc1cccc(CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)n1	ZINC000108610829	507908344	/nfs/dbraw/zinc/90/83/44/507908344.db2.gz	CVLPATRUNNEHTC-CYBMUJFWSA-N	0	0	368.462	2.897	10	30		FFEERN
N#C[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C1CC1	ZINC000108827657	507920668	/nfs/dbraw/zinc/92/06/68/507920668.db2.gz	RXVGMMLPXDBSIP-HZMBPMFUSA-N	0	0	352.221	2.765	10	30		FFEERN
N#C[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C1CC1	ZINC000108832880	507921541	/nfs/dbraw/zinc/92/15/41/507921541.db2.gz	YQWXSXVSCLJJJX-GOSISDBHSA-N	0	0	354.431	2.692	10	30		FFEERN
N#C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)C1CC1	ZINC000108843154	507921880	/nfs/dbraw/zinc/92/18/80/507921880.db2.gz	KBEZWJAELVSVLT-MRXNPFEDSA-N	0	0	367.478	2.714	10	30		FFEERN
N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1	ZINC000109082038	507937268	/nfs/dbraw/zinc/93/72/68/507937268.db2.gz	JXZZNNIZVJVIAN-HOTGVXAUSA-N	0	0	368.387	2.684	10	30		FFEERN
N#CCOc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2n2cccn2)cc1	ZINC000074873752	508065916	/nfs/dbraw/zinc/06/59/16/508065916.db2.gz	MXORCEGOXWYFMQ-ZWKOTPCHSA-N	0	0	353.426	2.769	10	30		FFEERN
N#CCCCOc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1	ZINC000080374210	508068634	/nfs/dbraw/zinc/06/86/34/508068634.db2.gz	JTPLRTOMTIKNOC-SFHVURJKSA-N	0	0	366.421	2.587	10	30		FFEERN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCCN(C(=O)c2cccs2)CC1	ZINC000112352071	508177245	/nfs/dbraw/zinc/17/72/45/508177245.db2.gz	MOTMYNMGSQFIGA-INIZCTEOSA-N	0	0	363.527	2.709	10	30		FFEERN
CN(C)c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000100039896	508238051	/nfs/dbraw/zinc/23/80/51/508238051.db2.gz	WXSPIDYEHRWQQW-HMMYKYKNSA-N	0	0	373.478	2.524	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN(C)[C@H]2CCCN(c3cccnn3)C2)c1C	ZINC000106077621	508391517	/nfs/dbraw/zinc/39/15/17/508391517.db2.gz	VGPOLJIRTMNMRV-SFHVURJKSA-N	0	0	367.497	2.864	10	30		FFEERN
CC(C)c1nc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(F)c(C#N)c2)no1	ZINC000127316844	508431209	/nfs/dbraw/zinc/43/12/09/508431209.db2.gz	QOGOQBNPPPBRIY-CQSZACIVSA-N	0	0	371.372	2.506	10	30		FFEERN
CCCC(=O)N[C@H]1CCCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1	ZINC000157061478	508517588	/nfs/dbraw/zinc/51/75/88/508517588.db2.gz	DMOCEBLHKKOEHZ-FXAWDEMLSA-N	0	0	371.481	2.869	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1	ZINC000134368540	508525342	/nfs/dbraw/zinc/52/53/42/508525342.db2.gz	ABCJNFIPNUAOII-YJBOKZPZSA-N	0	0	355.438	2.571	10	30		FFEERN
COc1ccc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)cc1C#N	ZINC000127996074	508533022	/nfs/dbraw/zinc/53/30/22/508533022.db2.gz	MPQBBPLUYVMBCW-UHFFFAOYSA-N	0	0	367.453	2.535	10	30		FFEERN
C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCn2nc(COC)nc21	ZINC000122517934	508547560	/nfs/dbraw/zinc/54/75/60/508547560.db2.gz	XAPVPXIGAVEWMU-MRXNPFEDSA-N	0	0	373.432	2.796	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1	ZINC000135452435	508607115	/nfs/dbraw/zinc/60/71/15/508607115.db2.gz	WEKLOUXLPHTLQV-ZGBFETHSSA-N	0	0	364.401	2.908	10	30		FFEERN
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccn(CCC#N)n1	ZINC000117715680	508614093	/nfs/dbraw/zinc/61/40/93/508614093.db2.gz	VEDWPBJUGPRFGZ-YOEHRIQHSA-N	0	0	353.426	2.580	10	30		FFEERN
C=CCNc1ncc(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)s1	ZINC000129024714	508672490	/nfs/dbraw/zinc/67/24/90/508672490.db2.gz	KAXIOMINCSZCQA-AWEZNQCLSA-N	0	0	360.487	2.502	10	30		FFEERN
C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc2ccccc2c1	ZINC000123488831	508694203	/nfs/dbraw/zinc/69/42/03/508694203.db2.gz	DSNOUVXCXUFQOX-CQSZACIVSA-N	0	0	361.405	2.766	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H](Oc2cccnc2)C1	ZINC000119222340	508751548	/nfs/dbraw/zinc/75/15/48/508751548.db2.gz	QDXCIUMJTGYTJR-INIZCTEOSA-N	0	0	355.369	2.918	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)ccc1F	ZINC000123887644	508753213	/nfs/dbraw/zinc/75/32/13/508753213.db2.gz	QKBKUICUEQAHHW-LPHOPBHVSA-N	0	0	374.437	2.974	10	30		FFEERN
Cc1cc(S(=O)(=O)NCCNc2ccc(C#N)cc2F)c(C)s1	ZINC000154391765	508774832	/nfs/dbraw/zinc/77/48/32/508774832.db2.gz	PJCTYNJBRNKPHD-UHFFFAOYSA-N	0	0	353.444	2.766	10	30		FFEERN
C#CCOc1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1	ZINC000158967881	508775023	/nfs/dbraw/zinc/77/50/23/508775023.db2.gz	VMFMVODRJCLVKR-UHFFFAOYSA-N	0	0	368.477	2.953	10	30		FFEERN
CCc1nc(C2(NS(=O)(=O)c3cccc(C)c3C#N)CCCC2)no1	ZINC000124652030	508863801	/nfs/dbraw/zinc/86/38/01/508863801.db2.gz	VWWHSGWRHHZWDB-UHFFFAOYSA-N	0	0	360.439	2.560	10	30		FFEERN
C[C@@H]1CC[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)c2ccccc21	ZINC000159617281	508866038	/nfs/dbraw/zinc/86/60/38/508866038.db2.gz	SDNOOCYDJWGOHA-WSPIIWQJSA-N	0	0	353.422	2.658	10	30		FFEERN
C[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1	ZINC000125909857	509043702	/nfs/dbraw/zinc/04/37/02/509043702.db2.gz	APQJWJLTCQZAJJ-LLVKDONJSA-N	0	0	363.826	2.783	10	30		FFEERN
C#Cc1cccc(NC(=O)N2CCC(Nc3nccc(OC)n3)CC2)c1	ZINC000191850021	509211826	/nfs/dbraw/zinc/21/18/26/509211826.db2.gz	LTDSXHYRWYGFIW-UHFFFAOYSA-N	0	0	351.410	2.575	10	30		FFEERN
Cn1cc([C@@H]2CCN(C(=O)Nc3ncccc3OCCCC#N)C2)cn1	ZINC000188721059	509230367	/nfs/dbraw/zinc/23/03/67/509230367.db2.gz	HPECDKVDZYEAHQ-CQSZACIVSA-N	0	0	354.414	2.519	10	30		FFEERN
CN1C(=O)C[C@@H](C(=O)NCc2ccc(C#N)cc2F)[C@H]1c1ccc(F)cc1	ZINC000179338456	509384783	/nfs/dbraw/zinc/38/47/83/509384783.db2.gz	CDBVBXTXCPMPKO-VQIMIIECSA-N	0	0	369.371	2.672	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1C	ZINC000189097704	509409987	/nfs/dbraw/zinc/40/99/87/509409987.db2.gz	GPUYRYDXPMJGJN-KRWDZBQOSA-N	0	0	365.437	2.519	10	30		FFEERN
Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)n1	ZINC000173385420	509566607	/nfs/dbraw/zinc/56/66/07/509566607.db2.gz	FZRDBYAWAHYCDC-LBPRGKRZSA-N	0	0	372.425	2.807	10	30		FFEERN
N#Cc1ccccc1Oc1ccccc1C(=O)N1CC(NC(=O)C2CC2)C1	ZINC000189421680	509567765	/nfs/dbraw/zinc/56/77/65/509567765.db2.gz	QFEQNVRCRYDFFZ-UHFFFAOYSA-N	0	0	361.401	2.701	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(F)cc2C#N)cs1	ZINC000189447849	509580845	/nfs/dbraw/zinc/58/08/45/509580845.db2.gz	UPLZXALZJGHRDE-HNNXBMFYSA-N	0	0	358.398	2.765	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1nnc2n1CCCC2	ZINC000173626570	509681807	/nfs/dbraw/zinc/68/18/07/509681807.db2.gz	KDUUKDZXIQAGHX-LSDHHAIUSA-N	0	0	373.526	2.930	10	30		FFEERN
N#C[C@@H]1CN(c2c(F)c(F)nc(F)c2F)CCN1Cc1ccccc1	ZINC000268143639	509777971	/nfs/dbraw/zinc/77/79/71/509777971.db2.gz	VTDHNAVVBUVTPT-GFCCVEGCSA-N	0	0	350.319	2.852	10	30		FFEERN
Cc1sc(NC(=O)CN2CCC(Cc3nccn3C)CC2)c(C#N)c1C	ZINC000177137609	509894112	/nfs/dbraw/zinc/89/41/12/509894112.db2.gz	BCPKQWDFACJBTJ-UHFFFAOYSA-N	0	0	371.510	2.863	10	30		FFEERN
COc1cc(/C=C/C(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1F	ZINC000183647437	509904954	/nfs/dbraw/zinc/90/49/54/509904954.db2.gz	UOGZQVRXPWKBHY-FNORWQNLSA-N	0	0	363.352	2.939	10	30		FFEERN
CC(=NNS(=O)(=O)c1ccccc1)c1cccc(NC(=O)C2CC2)c1	ZINC000254410211	509906020	/nfs/dbraw/zinc/90/60/20/509906020.db2.gz	GGXKKDMPLWSQDL-UHFFFAOYSA-N	0	0	357.435	2.738	10	30		FFEERN
COC(=O)c1ccc(/C=C/C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1	ZINC000183673165	509920825	/nfs/dbraw/zinc/92/08/25/509920825.db2.gz	YXYIBXJKYQUVPR-RMKNXTFCSA-N	0	0	373.372	2.577	10	30		FFEERN
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCN(c2ccccn2)CC1	ZINC000183802201	509982115	/nfs/dbraw/zinc/98/21/15/509982115.db2.gz	FWCKQKHGOBGDAG-UHFFFAOYSA-N	0	0	355.467	2.556	10	30		FFEERN
N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCCn4ncnc43)c2)c1	ZINC000177558674	510133732	/nfs/dbraw/zinc/13/37/32/510133732.db2.gz	GKKCDLLXDDTODW-IBGZPJMESA-N	0	0	373.416	2.994	10	30		FFEERN
N#CCOc1ccccc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000194075304	510203137	/nfs/dbraw/zinc/20/31/37/510203137.db2.gz	XXYPIKYKUPXVMM-UHFFFAOYSA-N	0	0	369.465	2.844	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000177827905	510274949	/nfs/dbraw/zinc/27/49/49/510274949.db2.gz	DOEXNOYNDMIXRI-VQIMIIECSA-N	0	0	359.470	2.826	10	30		FFEERN
Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H](CNc3ccccn3)C2)c(C#N)c1C	ZINC000246098023	510291174	/nfs/dbraw/zinc/29/11/74/510291174.db2.gz	HPVWWDGOOZNDOS-ZBFHGGJFSA-N	0	0	367.453	2.924	10	30		FFEERN
N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1	ZINC000177989396	510361706	/nfs/dbraw/zinc/36/17/06/510361706.db2.gz	WXGVAZGZJPURSE-CJNGLKHVSA-N	0	0	354.859	2.527	10	30		FFEERN
C[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@H]1N1CCOCC1	ZINC000246637054	510595514	/nfs/dbraw/zinc/59/55/14/510595514.db2.gz	ZDYXTMNCADMTSK-YVEFUNNKSA-N	0	0	358.392	2.542	10	30		FFEERN
CC(C)CC(=O)N1CCC(CSc2nc(N)c(C#N)cc2C#N)CC1	ZINC000184979774	510615259	/nfs/dbraw/zinc/61/52/59/510615259.db2.gz	KSCAFKXLGQVWLD-UHFFFAOYSA-N	0	0	357.483	2.784	10	30		FFEERN
C=CCSCCNC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1	ZINC000178614492	510687659	/nfs/dbraw/zinc/68/76/59/510687659.db2.gz	NXXFNBVGHWTQAW-GJZGRUSLSA-N	0	0	369.556	2.728	10	30		FFEERN
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)c2cccs2)cc1	ZINC000172504718	510759694	/nfs/dbraw/zinc/75/96/94/510759694.db2.gz	BCFQLLOJMDRHKU-GFCCVEGCSA-N	0	0	372.450	2.872	10	30		FFEERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCNC(=O)C2CCCCC2)C1	ZINC000330196271	510935345	/nfs/dbraw/zinc/93/53/45/510935345.db2.gz	PZZJNJVAVJYTCF-CABCVRRESA-N	0	0	364.446	2.593	10	30		FFEERN
C[C@@H](C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)N1CCc2ccccc2C1	ZINC000330339587	510969741	/nfs/dbraw/zinc/96/97/41/510969741.db2.gz	WVGMXSAAHFBLAE-RIFZZMRRSA-N	0	0	368.481	2.901	10	30		FFEERN
O=C(NC[C@@H]1CCCn2ccnc21)N1CCC[C@@H](c2noc(C3CC3)n2)C1	ZINC000328617707	511895190	/nfs/dbraw/zinc/89/51/90/511895190.db2.gz	UJGBKNRYKIPBTN-LSDHHAIUSA-N	0	0	370.457	2.815	10	30		FFEERN
CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccc(C#N)cn3)CC2)cn1	ZINC000328630516	511899410	/nfs/dbraw/zinc/89/94/10/511899410.db2.gz	JKQDXPHFMNDWMQ-INIZCTEOSA-N	0	0	364.453	2.521	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](C)Cc1c(C)nn(C)c1C)CCC2	ZINC000328657846	511910517	/nfs/dbraw/zinc/91/05/17/511910517.db2.gz	PWLYKUHFKOXLFN-WBMJQRKESA-N	0	0	358.490	2.554	10	30		FFEERN
C[C@@H]1OCC[C@@H]1NC(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1	ZINC000328730400	511922223	/nfs/dbraw/zinc/92/22/23/511922223.db2.gz	HXUXYUJTMJXRIG-AVGNSLFASA-N	0	0	353.488	2.905	10	30		FFEERN
C[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)c1nnc2n1CCCC2	ZINC000328968295	511958371	/nfs/dbraw/zinc/95/83/71/511958371.db2.gz	NTCAENWKSZQUIT-XJKCOSOUSA-N	0	0	358.446	2.533	10	30		FFEERN
O=C(CN1CCO[C@H](c2nccs2)C1)Nc1nc2c(s1)CCC2	ZINC000328995481	511964696	/nfs/dbraw/zinc/96/46/96/511964696.db2.gz	JQQDEJGRLDJQFQ-NSHDSACASA-N	0	0	350.469	2.750	10	30		FFEERN
Cc1n[nH]cc1-c1nnc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)s1	ZINC000329034224	511971144	/nfs/dbraw/zinc/97/11/44/511971144.db2.gz	MHSVNOZNTHUAKK-ZWNOBZJWSA-N	0	0	373.442	2.726	10	30		FFEERN
O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1COc2ccccc2O1	ZINC000329116410	511986110	/nfs/dbraw/zinc/98/61/10/511986110.db2.gz	NIMWNWLJWRSHBC-UHOFOFEASA-N	0	0	371.393	2.964	10	30		FFEERN
CC1CCC(C)(NC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1	ZINC000329149663	511993620	/nfs/dbraw/zinc/99/36/20/511993620.db2.gz	ZAKLDFCDOAFNLO-CKGXTFEBSA-N	0	0	373.501	2.697	10	30		FFEERN
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCO[C@@]2(CCCOC2)C1	ZINC000329218537	512007724	/nfs/dbraw/zinc/00/77/24/512007724.db2.gz	RUAQIZMZONEYEP-GUTXKFCHSA-N	0	0	350.381	2.903	10	30		FFEERN
CC(C)c1nc2c(n1C)CCN(C(=O)NC[C@@H]1COc3ccccc3O1)C2	ZINC000329469877	512053381	/nfs/dbraw/zinc/05/33/81/512053381.db2.gz	YKJXFDMCXGMWNJ-CQSZACIVSA-N	0	0	370.453	2.656	10	30		FFEERN
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000329586875	512074631	/nfs/dbraw/zinc/07/46/31/512074631.db2.gz	RRSFYNFUWBWNSR-OUCADQQQSA-N	0	0	356.875	2.556	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCCN3c3nccs3)C2)nn1	ZINC000329628468	512079400	/nfs/dbraw/zinc/07/94/00/512079400.db2.gz	VVTYRUXAGSRIHN-LSDHHAIUSA-N	0	0	372.498	2.836	10	30		FFEERN
Cc1csc([C@H](NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)C2CC2)n1	ZINC000329673956	512085629	/nfs/dbraw/zinc/08/56/29/512085629.db2.gz	TUMYWAYIDWZEQO-FVQBIDKESA-N	0	0	364.515	2.612	10	30		FFEERN
CCc1nc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)no1	ZINC000329728503	512090801	/nfs/dbraw/zinc/09/08/01/512090801.db2.gz	HFATZTLPWJTYRD-ZNMIVQPWSA-N	0	0	370.457	2.759	10	30		FFEERN
O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCC[C@H]1c1nc2ccccc2[nH]1	ZINC000329871286	512104999	/nfs/dbraw/zinc/10/49/99/512104999.db2.gz	CIBXSFOHRFZMPU-DYVFJYSZSA-N	0	0	350.426	2.894	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC4(C3)CCOCC4)C2)n1	ZINC000408284488	513037913	/nfs/dbraw/zinc/03/79/13/513037913.db2.gz	ZYJNKTUXLJLGAS-SFHVURJKSA-N	0	0	368.481	2.507	10	30		FFEERN
Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000408340288	513047237	/nfs/dbraw/zinc/04/72/37/513047237.db2.gz	VESBDELQBONTGH-JOYOIKCWSA-N	0	0	361.236	2.867	10	30		FFEERN
COC(=O)Cc1cc(I)c(C(F)F)c(C#N)c1	ZINC000575389238	518208605	/nfs/dbraw/zinc/20/86/05/518208605.db2.gz	HTMCJWXCIZXMQR-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)Cc1c(I)cc(C#N)cc1C(F)(F)F	ZINC000575392717	518210222	/nfs/dbraw/zinc/21/02/22/518210222.db2.gz	QVEQBNJQNDOUSB-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
COC(=O)Cc1cc(I)c(C(F)(F)F)cc1C#N	ZINC000575393049	518210348	/nfs/dbraw/zinc/21/03/48/518210348.db2.gz	XFOLYTAIJGKOFJ-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
C=C(C)[C@@H]1CCC(C)=C(N=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1	ZINC000007852952	727799241	/nfs/dbraw/zinc/79/92/41/727799241.db2.gz	LOUFIRFOUNKWLC-GFCCVEGCSA-N	0	0	364.427	2.943	10	30		FFEERN
C#CCN(C(=O)c1oc2c(c1C)c(C)ccc2C)[C@H]1CCS(=O)(=O)C1	ZINC000104311654	728501589	/nfs/dbraw/zinc/50/15/89/728501589.db2.gz	OTSQHKNAPMIEGY-HNNXBMFYSA-N	0	0	359.447	2.621	10	30		FFEERN
CCc1nn(C)c(Cl)c1CN1CCN(Cc2ccc(C#N)s2)CC1	ZINC000121697904	728636405	/nfs/dbraw/zinc/63/64/05/728636405.db2.gz	ZNDLDZSTBWSYOS-UHFFFAOYSA-N	0	0	363.918	2.887	10	30		FFEERN
C=C(Br)CNC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000123822552	728662977	/nfs/dbraw/zinc/66/29/77/728662977.db2.gz	TYHKLZSZYMBREJ-MFKMUULPSA-N	0	0	361.186	2.691	10	30		FFEERN
C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(F)c(Cl)c1	ZINC000172326045	729023442	/nfs/dbraw/zinc/02/34/42/729023442.db2.gz	SAXCXVRYQSXGDL-ILIMUTSYSA-N	0	0	365.792	2.573	10	30		FFEERN
CCCCCCCS(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1	ZINC000195240794	729533459	/nfs/dbraw/zinc/53/34/59/729533459.db2.gz	UJFLUUKGKWRNIB-QGZVFWFLSA-N	0	0	357.520	2.501	10	30		FFEERN
CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000328866466	729795479	/nfs/dbraw/zinc/79/54/79/729795479.db2.gz	GQTRKAKDJXOHMW-CHWSQXEVSA-N	0	0	364.515	2.763	10	30		FFEERN
Cc1nnc2n1C[C@@H](CNC([O-])=[NH+]C1CCC(C(F)(F)F)CC1)CC2	ZINC000329620593	729798222	/nfs/dbraw/zinc/79/82/22/729798222.db2.gz	FLJIJGKDBANUML-PNESKVBLSA-N	0	0	359.396	2.774	10	30		FFEERN
Cc1noc([C@H]2OCC[C@H]2CNc2cc(C(F)(F)F)cnc2C#N)n1	ZINC000888078660	734010707	/nfs/dbraw/zinc/01/07/07/734010707.db2.gz	IZHABVKJXSOMSZ-ZANVPECISA-N	0	0	353.304	2.853	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)OCc3cc(C#N)ccc3F)cc2C1=O	ZINC000010890319	1013339796	/nfs/dbraw/zinc/33/97/96/1013339796.db2.gz	BWTMJDFSYFLPFR-UHFFFAOYSA-N	0	0	364.332	2.836	10	30		FFEERN
Cc1ccc2c(c1C)OC[C@@H]2[NH+]=C([O-])N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000329465663	967729111	/nfs/dbraw/zinc/72/91/11/967729111.db2.gz	VEQWANGMFXNRNK-ZBFHGGJFSA-N	0	0	369.469	2.970	10	30		FFEERN
Cc1ccc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)cc1S(N)(=O)=O	ZINC000329590514	967828069	/nfs/dbraw/zinc/82/80/69/967828069.db2.gz	TVEXNIKTKXVCFS-DNVCBOLYSA-N	0	0	372.446	2.971	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCc4ccccc43)C2)nn1	ZINC000329619653	967874990	/nfs/dbraw/zinc/87/49/90/967874990.db2.gz	UAJMSRIVXBRXFO-MSOLQXFVSA-N	0	0	365.481	2.987	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)c3cc(C(C)(C)C)nn3C)C2)nn1	ZINC000329641660	967904979	/nfs/dbraw/zinc/90/49/79/967904979.db2.gz	ZUWXDRNVYRFPBO-AWEZNQCLSA-N	0	0	356.474	2.790	10	30		FFEERN
Cc1nc([C@H]2CCCN(C(=O)NCc3nnc4n3CCCC4)C2)sc1C	ZINC000329676780	967935098	/nfs/dbraw/zinc/93/50/98/967935098.db2.gz	UXWKIFVSGNQPCL-AWEZNQCLSA-N	0	0	374.514	2.981	10	30		FFEERN
C#CCOc1cccc(COC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1	ZINC000107021279	976546059	/nfs/dbraw/zinc/54/60/59/976546059.db2.gz	NWXZJOALPQXQDF-UHFFFAOYSA-N	0	0	367.401	2.887	10	30		FFEERN
C#CCOc1cccc(COC(=O)c2ccc(-n3cnnn3)cc2Cl)c1	ZINC000107022141	1005369163	/nfs/dbraw/zinc/36/91/63/1005369163.db2.gz	NHFDSESEESIQKD-UHFFFAOYSA-N	0	0	368.780	2.685	10	30		FFEERN
Cc1ccc2c(cccc2Nc2ncnc(N(CC#N)CC#N)c2[N+](=O)[O-])n1	ZINC000040618053	205074035	/nfs/dbraw/zinc/07/40/35/205074035.db2.gz	IVPGPYLZNUQOBZ-UHFFFAOYSA-N	0	0	374.364	2.839	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2CCC(Nc3cccnn3)CC2)cc1Cl	ZINC000106082838	250233545	/nfs/dbraw/zinc/23/35/45/250233545.db2.gz	MSQUXWAEBUTGNE-UHFFFAOYSA-N	0	0	370.844	2.517	10	30		FFEERN
Cc1cnn([C@H]2CCCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1	ZINC000106225361	250258782	/nfs/dbraw/zinc/25/87/82/250258782.db2.gz	OMEKNOSZHNKILH-INIZCTEOSA-N	0	0	357.845	2.992	10	30		FFEERN
N#Cc1ccc(Cl)cc1NCCN1CCN(C(=O)C2CCCC2)CC1	ZINC000301267544	258038608	/nfs/dbraw/zinc/03/86/08/258038608.db2.gz	INTDJLWEOKZXGV-UHFFFAOYSA-N	0	0	360.889	2.958	10	30		FFEERN
Cc1nnc([C@H]2CCCCN2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[nH]1	ZINC000328674805	258117678	/nfs/dbraw/zinc/11/76/78/258117678.db2.gz	KDCJBOBGHXCXDQ-MSOLQXFVSA-N	0	0	364.453	2.707	10	30		FFEERN
N#Cc1ccc(N2CC[C@H](C(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)c(F)c1	ZINC000329324121	258135279	/nfs/dbraw/zinc/13/52/79/258135279.db2.gz	SGJOJGFLXFKCBK-SNRMKQJTSA-N	0	0	357.429	2.694	10	30		FFEERN
N#Cc1ccc(OC2CCN(S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1	ZINC000333218420	258256647	/nfs/dbraw/zinc/25/66/47/258256647.db2.gz	VZFQTWAQCFNPLM-GJYPPUQNSA-N	0	0	360.479	2.920	10	30		FFEERN
COC(=O)c1cc(I)cc(C#N)c1OC(F)F	ZINC000575386311	518208540	/nfs/dbraw/zinc/20/85/40/518208540.db2.gz	NMQKTOZFMIOFPR-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)Cc1ccc(I)c(C(F)(F)F)c1C#N	ZINC000575392272	518209564	/nfs/dbraw/zinc/20/95/64/518209564.db2.gz	GGVAGAIVRFYFFS-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
COC(=O)Cc1c(I)ccc(C(F)(F)F)c1C#N	ZINC000575392660	518209587	/nfs/dbraw/zinc/20/95/87/518209587.db2.gz	LEJXCFRVANSJIG-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
N#CC1=NN(c2ccc(Cl)cc2)[C@H]2CN(c3ccccc3)CCN2C1=O	ZINC000033436150	506356962	/nfs/dbraw/zinc/35/69/62/506356962.db2.gz	GBNDJDCQDBPGGP-SFHVURJKSA-N	0	0	365.824	2.714	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)Nc3cc(OC)ccc3OC)cc2C1=O	ZINC000007971501	506607123	/nfs/dbraw/zinc/60/71/23/506607123.db2.gz	UNWLZULZJWIPOO-UHFFFAOYSA-N	0	0	366.373	2.738	10	30		FFEERN
COc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1OC	ZINC000012367965	506856352	/nfs/dbraw/zinc/85/63/52/506856352.db2.gz	HDJCSRADKSNHGQ-UHFFFAOYSA-N	0	0	354.815	2.670	10	30		FFEERN
CCN(C[C@@H](C)C#N)C(=O)C1CCC(C(=O)N(CC)C[C@H](C)C#N)CC1	ZINC000056410148	507007556	/nfs/dbraw/zinc/00/75/56/507007556.db2.gz	MRMICUSYSGMKQR-OQSMONGASA-N	0	0	360.502	2.809	10	30		FFEERN
CCN(CC)c1ccc(/C=N/c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(O)c1	ZINC000017701470	507126992	/nfs/dbraw/zinc/12/69/92/507126992.db2.gz	XKAXTSRMTXCIFR-RGVLZGJSSA-N	0	0	352.394	2.519	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)ccc1Cl	ZINC000072720923	507847258	/nfs/dbraw/zinc/84/72/58/507847258.db2.gz	OZHYIINJPIRLIG-CVEARBPZSA-N	0	0	364.858	2.870	10	30		FFEERN
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C2CC2)CC1	ZINC000108361249	507889397	/nfs/dbraw/zinc/88/93/97/507889397.db2.gz	XQSYSRHEYBGCSJ-OAHLLOKOSA-N	0	0	358.511	2.799	10	30		FFEERN
N#Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c1	ZINC000108400295	507893352	/nfs/dbraw/zinc/89/33/52/507893352.db2.gz	FVGLNYGBKXNLPP-KRWDZBQOSA-N	0	0	370.430	2.954	10	30		FFEERN
N#C[C@@H](NC(=O)c1ccc(Cl)c(I)c1)C1CC1	ZINC000108832959	507921093	/nfs/dbraw/zinc/92/10/93/507921093.db2.gz	CSCXOWGKAPPRPR-LLVKDONJSA-N	0	0	360.582	2.977	10	30		FFEERN
N#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C1CC1	ZINC000108832145	507921123	/nfs/dbraw/zinc/92/11/23/507921123.db2.gz	RBQHOZRGLRFJLA-KRWDZBQOSA-N	0	0	373.409	2.658	10	30		FFEERN
Cc1sc2ncnc(N3CCC(C(=O)N[C@H](C#N)C4CC4)CC3)c2c1C	ZINC000108831431	507921163	/nfs/dbraw/zinc/92/11/63/507921163.db2.gz	DWRBOEHNKLCLNA-OAHLLOKOSA-N	0	0	369.494	2.943	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)NCCCNc3ccccc3)cc2C1=O	ZINC000109623322	507972582	/nfs/dbraw/zinc/97/25/82/507972582.db2.gz	ITUYEQLSHIOALS-UHFFFAOYSA-N	0	0	363.417	2.701	10	30		FFEERN
CCCn1cc(CN2CCCN(C(=O)c3cccc(C#N)c3)CC2)cn1	ZINC000109664661	507978076	/nfs/dbraw/zinc/97/80/76/507978076.db2.gz	LKXSRQCRMGBKQA-UHFFFAOYSA-N	0	0	351.454	2.513	10	30		FFEERN
COC(=O)C[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1ccccc1	ZINC000075696249	508129471	/nfs/dbraw/zinc/12/94/71/508129471.db2.gz	NMFVXIZENNQDAL-YOEHRIQHSA-N	0	0	352.390	2.746	10	30		FFEERN
C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	ZINC000076281303	508180330	/nfs/dbraw/zinc/18/03/30/508180330.db2.gz	PKMVTMDTWJIIBJ-XHDPSFHLSA-N	0	0	353.353	2.953	10	30		FFEERN
CN(C[C@@H](O)COCc1ccccc1)C(=O)CSc1ccc(C#N)cc1	ZINC000081967337	508222826	/nfs/dbraw/zinc/22/28/26/508222826.db2.gz	HVXIZNXTVPJTON-GOSISDBHSA-N	0	0	370.474	2.686	10	30		FFEERN
C=CCOc1ccc(C(=O)N[C@@H]2CCCn3nc(CC)nc32)cc1OC	ZINC000088199969	508356865	/nfs/dbraw/zinc/35/68/65/508356865.db2.gz	UTKLYZXXBMUCOQ-CQSZACIVSA-N	0	0	356.426	2.679	10	30		FFEERN
C=CCc1cc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc(OC)c1OC	ZINC000116121005	508474750	/nfs/dbraw/zinc/47/47/50/508474750.db2.gz	ZRSOFMPUDFXNBX-HNNXBMFYSA-N	0	0	355.438	2.796	10	30		FFEERN
Cc1csc([C@@H]2CN(CCC(=O)Nc3sccc3C#N)CCO2)n1	ZINC000157072398	508519145	/nfs/dbraw/zinc/51/91/45/508519145.db2.gz	PETAWMUHTADULO-ZDUSSCGKSA-N	0	0	362.480	2.787	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N2CCOC3(C2)CCCCCC3)cc1	ZINC000157865223	508623766	/nfs/dbraw/zinc/62/37/66/508623766.db2.gz	RGFZEZNRCRCYFM-UHFFFAOYSA-N	0	0	355.438	2.643	10	30		FFEERN
C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1Br	ZINC000123191421	508649942	/nfs/dbraw/zinc/64/99/42/508649942.db2.gz	GEFHHJOYLSCCQC-ZBEGNZNMSA-N	0	0	350.260	2.908	10	30		FFEERN
CN1C(=O)C[C@@H](C(=O)NCc2cc(C#N)ccc2F)[C@@H]1c1ccc(F)cc1	ZINC000136182354	508677376	/nfs/dbraw/zinc/67/73/76/508677376.db2.gz	CQGBUTOGAPTNNB-APWZRJJASA-N	0	0	369.371	2.672	10	30		FFEERN
C=CCNc1ncc(C(=O)NC2CCN(c3ccc(C)cn3)CC2)s1	ZINC000129207020	508697955	/nfs/dbraw/zinc/69/79/55/508697955.db2.gz	HLXZPYXVMYVJDJ-UHFFFAOYSA-N	0	0	357.483	2.843	10	30		FFEERN
CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C12CCCC2	ZINC000119101140	508725817	/nfs/dbraw/zinc/72/58/17/508725817.db2.gz	CZQIIPVFJJFFNJ-SJORKVTESA-N	0	0	373.428	2.832	10	30		FFEERN
Cn1nccc1C1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000124315298	508814283	/nfs/dbraw/zinc/81/42/83/508814283.db2.gz	DIEDKCHDLHFRGE-UHFFFAOYSA-N	0	0	354.479	2.931	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N1CCC(c2cc[nH]n2)CC1	ZINC000125226387	508951522	/nfs/dbraw/zinc/95/15/22/508951522.db2.gz	ISCGZCPPMRGYAV-UHFFFAOYSA-N	0	0	368.437	2.855	10	30		FFEERN
Cc1noc([C@H]2COCCN2CC#Cc2ccc(OC(F)(F)F)cc2)n1	ZINC000160885117	509043655	/nfs/dbraw/zinc/04/36/55/509043655.db2.gz	ULCVWQACOGHXTP-OAHLLOKOSA-N	0	0	367.327	2.702	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc1	ZINC000185621637	509268640	/nfs/dbraw/zinc/26/86/40/509268640.db2.gz	NSNCPJJPMBZHKE-CQSZACIVSA-N	0	0	369.371	2.985	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N2CCC(OCC3CCCC3)CC2)cc1	ZINC000176049078	509294968	/nfs/dbraw/zinc/29/49/68/509294968.db2.gz	YMZPOZNUHXSYMO-UHFFFAOYSA-N	0	0	369.465	2.889	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@H](c2cnn(CC)c2)C1	ZINC000192276917	509439962	/nfs/dbraw/zinc/43/99/62/509439962.db2.gz	ZBTXQCFHXORTHY-SFHVURJKSA-N	0	0	372.400	2.660	10	30		FFEERN
Cc1c([C@@H](C)NS(=O)(=O)CC2(C#N)CC2)cnn1-c1ccc(F)cc1	ZINC000164494211	509508389	/nfs/dbraw/zinc/50/83/89/509508389.db2.gz	RPMWBSCIZCRCGS-GFCCVEGCSA-N	0	0	362.430	2.604	10	30		FFEERN
CCn1cnnc1[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1	ZINC000164798466	509536004	/nfs/dbraw/zinc/53/60/04/509536004.db2.gz	HCSLMPMFDLWPIK-INIZCTEOSA-N	0	0	367.453	2.733	10	30		FFEERN
Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C)c3C#N)C2)n1	ZINC000173384900	509566663	/nfs/dbraw/zinc/56/66/63/509566663.db2.gz	YHOFHBSDZKGNQK-CQSZACIVSA-N	0	0	368.462	2.976	10	30		FFEERN
Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)n1	ZINC000173384613	509566670	/nfs/dbraw/zinc/56/66/70/509566670.db2.gz	NVBPFKQDEFBBFF-AWEZNQCLSA-N	0	0	354.435	2.668	10	30		FFEERN
C[C@@H](COCc1ccccc1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000176638687	509622176	/nfs/dbraw/zinc/62/21/76/509622176.db2.gz	FOIXXYKJTYFWTA-ZDUSSCGKSA-N	0	0	371.824	2.872	10	30		FFEERN
COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C	ZINC000249158669	509627350	/nfs/dbraw/zinc/62/73/50/509627350.db2.gz	ZJAUKBNXAZMQIT-BXUZGUMPSA-N	0	0	351.244	2.952	10	30		FFEERN
Cc1ccc([C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CCO2)o1	ZINC000167786207	509641048	/nfs/dbraw/zinc/64/10/48/509641048.db2.gz	MWJBHPZILZQVMC-OAHLLOKOSA-N	0	0	366.826	2.875	10	30		FFEERN
N#Cc1ccccc1Cn1cccc1CN1Cc2ccccc2C[C@H]1C(N)=O	ZINC000189576281	509644737	/nfs/dbraw/zinc/64/47/37/509644737.db2.gz	AJXJGPLWQKUELO-QFIPXVFZSA-N	0	0	370.456	2.820	10	30		FFEERN
C[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@@H]1N1CCOCC1	ZINC000176705675	509651340	/nfs/dbraw/zinc/65/13/40/509651340.db2.gz	ZDYXTMNCADMTSK-PXAZEXFGSA-N	0	0	358.392	2.542	10	30		FFEERN
CC(C)c1ccc([C@H](C)NC(=O)CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000173653677	509700669	/nfs/dbraw/zinc/70/06/69/509700669.db2.gz	RGNUOMZXXSYXPX-SXZOAGKDSA-N	0	0	355.438	2.904	10	30		FFEERN
C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CCN(c2ncccn2)CC1	ZINC000180042892	509722845	/nfs/dbraw/zinc/72/28/45/509722845.db2.gz	PHLMMHGGCSACRC-AWEZNQCLSA-N	0	0	366.425	2.558	10	30		FFEERN
CC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000249684721	509734196	/nfs/dbraw/zinc/73/41/96/509734196.db2.gz	LJYNYRIGWMNLOT-PKOBYXMFSA-N	0	0	370.497	2.539	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N2CCCN(c3ccccn3)CC2)cc1	ZINC000186491239	509735873	/nfs/dbraw/zinc/73/58/73/509735873.db2.gz	BVKBIFRLLLEGSQ-JXMROGBWSA-N	0	0	362.433	2.736	10	30		FFEERN
C=C(C)COc1cc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)ccc1OC	ZINC000180119285	509762579	/nfs/dbraw/zinc/76/25/79/509762579.db2.gz	UBUFTUHZPKLUNY-SFHVURJKSA-N	0	0	358.442	2.650	10	30		FFEERN
C=CCN(CC=C)C(=O)[C@H](C)N1CCN(c2nc3ccccc3o2)CC1	ZINC000170942126	509860471	/nfs/dbraw/zinc/86/04/71/509860471.db2.gz	XLJUBLJWMOZCOT-INIZCTEOSA-N	0	0	354.454	2.539	10	30		FFEERN
C=CCN(CC=C)C(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12	ZINC000193318596	509864519	/nfs/dbraw/zinc/86/45/19/509864519.db2.gz	PLMXGLUQCJIBFR-KRWDZBQOSA-N	0	0	355.463	2.884	10	30		FFEERN
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COC(C)=O	ZINC000254702748	509908576	/nfs/dbraw/zinc/90/85/76/509908576.db2.gz	AFFPFQQZZHPLBH-UHFFFAOYSA-N	0	0	370.381	2.892	10	30		FFEERN
COCCOc1ccc(S(=O)(=O)NC2(C#N)CCCCCC2)cc1	ZINC000183669541	509916558	/nfs/dbraw/zinc/91/65/58/509916558.db2.gz	NPQUIISDUHGYHG-UHFFFAOYSA-N	0	0	352.456	2.607	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1	ZINC000190125570	509951479	/nfs/dbraw/zinc/95/14/79/509951479.db2.gz	XMAYUCINRARYSM-HZPDHXFCSA-N	0	0	358.398	2.937	10	30		FFEERN
COc1cnccc1[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000187008752	510003194	/nfs/dbraw/zinc/00/31/94/510003194.db2.gz	KZMIQERVCDCQBN-KSSFIOAISA-N	0	0	350.422	2.808	10	30		FFEERN
CCO[C@H]1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)C12CCOCC2	ZINC000187141160	510082570	/nfs/dbraw/zinc/08/25/70/510082570.db2.gz	UEWQJLWPDCPCNX-SJORKVTESA-N	0	0	360.479	2.741	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCCN(c2ccccn2)CC1	ZINC000184117935	510143253	/nfs/dbraw/zinc/14/32/53/510143253.db2.gz	OVQLVZLTLFUSFY-UHFFFAOYSA-N	0	0	368.412	2.977	10	30		FFEERN
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](n3cncn3)C2)cc1	ZINC000171526800	510209212	/nfs/dbraw/zinc/20/92/12/510209212.db2.gz	MOZSQHYPFZDPBI-HKUYNNGSSA-N	0	0	366.469	2.559	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cn1	ZINC000184648360	510439080	/nfs/dbraw/zinc/43/90/80/510439080.db2.gz	BPYGUQRCKLVQMB-MRXNPFEDSA-N	0	0	362.397	2.621	10	30		FFEERN
COc1ccnc(NC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)n1	ZINC000188010246	510547682	/nfs/dbraw/zinc/54/76/82/510547682.db2.gz	FRWQAMUJNWUEML-UHFFFAOYSA-N	0	0	370.388	2.604	10	30		FFEERN
Cc1cccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1C#N	ZINC000178497619	510631945	/nfs/dbraw/zinc/63/19/45/510631945.db2.gz	ZVFUBXUBWVPFPM-CYBMUJFWSA-N	0	0	358.419	2.677	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1	ZINC000188287616	510691144	/nfs/dbraw/zinc/69/11/44/510691144.db2.gz	SXSLEKZNZBBCLT-JTDSTZFVSA-N	0	0	366.527	2.855	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)cc1	ZINC000182022608	510715295	/nfs/dbraw/zinc/71/52/95/510715295.db2.gz	UANDGVYBUPNARW-GOSISDBHSA-N	0	0	367.380	2.510	10	30		FFEERN
N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1	ZINC000172487637	510751258	/nfs/dbraw/zinc/75/12/58/510751258.db2.gz	HTFCXNHBZYFTEL-HOCLYGCPSA-N	0	0	359.332	2.939	10	30		FFEERN
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCNC(=O)C2N=CC=CC2=O)cc1	ZINC000172606478	510818451	/nfs/dbraw/zinc/81/84/51/510818451.db2.gz	ZWEVUNMAOSCIOL-NMQZXRHPSA-N	0	0	367.449	2.556	10	30		FFEERN
N#Cc1cc(NC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)ccc1F	ZINC000172679156	510843415	/nfs/dbraw/zinc/84/34/15/510843415.db2.gz	VNVCOAYBKLSUMY-HNNXBMFYSA-N	0	0	359.382	2.738	10	30		FFEERN
O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCn2ncnc2C1	ZINC000329960410	510887051	/nfs/dbraw/zinc/88/70/51/510887051.db2.gz	NWIAICMOKBYVKK-OAHLLOKOSA-N	0	0	353.426	2.844	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)C1	ZINC000330124442	510920234	/nfs/dbraw/zinc/92/02/34/510920234.db2.gz	BEAXCWQNOJGXOK-WPUCRFQZSA-N	0	0	356.426	2.987	10	30		FFEERN
C[C@@H]1CC(CNC(=O)N2CCN(c3ccccc3C#N)CC2)C[C@@H](C)O1	ZINC000282324032	510931224	/nfs/dbraw/zinc/93/12/24/510931224.db2.gz	TYKRSAYXFUEFKG-HZPDHXFCSA-N	0	0	356.470	2.593	10	30		FFEERN
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000330197174	510934816	/nfs/dbraw/zinc/93/48/16/510934816.db2.gz	RLCCZSXKCJNSSB-JFIYKMOQSA-N	0	0	358.486	2.692	10	30		FFEERN
COc1ccc2c(c1)C[C@@H](C(=O)N[C@H]1CCCO[C@@H]1c1nccn1C)CO2	ZINC000330339497	510969591	/nfs/dbraw/zinc/96/95/91/510969591.db2.gz	WRZDOROIRJMKBP-HFTRVMKXSA-N	0	0	371.437	2.857	10	30		FFEERN
O=C(CS)Nc1ccc(Br)c(I)c1	ZINC000300891926	511688370	/nfs/dbraw/zinc/68/83/70/511688370.db2.gz	FLZDWUVOADBSNN-UHFFFAOYSA-N	0	0	372.025	2.922	10	30		FFEERN
CN1CCO[C@H]2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21	ZINC000284482775	511740134	/nfs/dbraw/zinc/74/01/34/511740134.db2.gz	BBZYASFKGUFWEQ-GJZGRUSLSA-N	0	0	368.359	2.514	10	30		FFEERN
N#Cc1c(F)cc(I)cc1I	ZINC000306816724	511763565	/nfs/dbraw/zinc/76/35/65/511763565.db2.gz	CFPYYAMIUMTFMI-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
Cc1cnc([C@@H](C)CNC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)s1	ZINC000328602799	511890949	/nfs/dbraw/zinc/89/09/49/511890949.db2.gz	HEUDSGSDNCWVCG-CFVMTHIKSA-N	0	0	364.515	2.850	10	30		FFEERN
Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000328639582	511904417	/nfs/dbraw/zinc/90/44/17/511904417.db2.gz	DTGZGSUWAARFSU-SWLSCSKDSA-N	0	0	359.451	2.715	10	30		FFEERN
Cc1csc([C@@H]2CN(C(=O)NCC3C[C@H](C)O[C@@H](C)C3)CCO2)n1	ZINC000328667566	511912214	/nfs/dbraw/zinc/91/22/14/511912214.db2.gz	DGBDFGRDYPENLA-YDHLFZDLSA-N	0	0	353.488	2.942	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H]3CCC(=O)NC34CCC4)C2)n1	ZINC000328681079	511913545	/nfs/dbraw/zinc/91/35/45/511913545.db2.gz	CIOIHXZEJQJART-HZPDHXFCSA-N	0	0	374.489	2.563	10	30		FFEERN
O=C(NC1CCN(CC(F)(F)F)CC1)N[C@@H]1CCC(=O)NC12CCC2	ZINC000328744480	511924350	/nfs/dbraw/zinc/92/43/50/511924350.db2.gz	NZZZVCMJWYQWSD-GFCCVEGCSA-N	0	0	362.396	2.558	10	30		FFEERN
CO[C@@H](C)c1nsc(N2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)n1	ZINC000328816901	511936716	/nfs/dbraw/zinc/93/67/16/511936716.db2.gz	PWOSZFQXEZWVSL-GXSJLCMTSA-N	0	0	350.448	2.961	10	30		FFEERN
C[C@@H]1Cc2ccccc2N1CCNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1	ZINC000328881037	511945525	/nfs/dbraw/zinc/94/55/25/511945525.db2.gz	MAXOIQYWJIPXQU-VVFCZOMOSA-N	0	0	356.470	2.839	10	30		FFEERN
Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1	ZINC000328891784	511945977	/nfs/dbraw/zinc/94/59/77/511945977.db2.gz	SQSRDGSTOCVVGF-MHGNSNQHSA-N	0	0	371.485	2.942	10	30		FFEERN
C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@H]2OCCN(C)[C@@H]2C1	ZINC000328929101	511952700	/nfs/dbraw/zinc/95/27/00/511952700.db2.gz	YIKJOXYWXZQERJ-BPLDGKMQSA-N	0	0	360.483	2.678	10	30		FFEERN
CCN1CCO[C@@H](CNC(=O)C2CCN(C(C)=O)CC2)[C@@H]1c1ccccc1	ZINC000328988261	511961585	/nfs/dbraw/zinc/96/15/85/511961585.db2.gz	CICHFTWEEIMIKQ-PMACEKPBSA-N	0	0	373.497	2.663	10	30		FFEERN
CO[C@H]1C[C@@H](CO)N(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1	ZINC000328996214	511964177	/nfs/dbraw/zinc/96/41/77/511964177.db2.gz	GPOTZJIECNGGRN-YQQAZPJKSA-N	0	0	360.454	2.819	10	30		FFEERN
Cc1coc(-c2cccc(NC(=O)N3CC[C@@H]4OCCN(C)[C@@H]4C3)c2)n1	ZINC000329003796	511965434	/nfs/dbraw/zinc/96/54/34/511965434.db2.gz	YDRMPUSYSSRSEA-SJORKVTESA-N	0	0	356.426	2.600	10	30		FFEERN
C[C@@H]1CCC[C@@H](C)C1NC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000329050382	511973625	/nfs/dbraw/zinc/97/36/25/511973625.db2.gz	KQWJWACUKOHTGD-DZDCQFRTSA-N	0	0	373.501	2.553	10	30		FFEERN
Cc1cnn(CC2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)c1	ZINC000329102949	511983507	/nfs/dbraw/zinc/98/35/07/511983507.db2.gz	BWIYIAKPEFSPCP-UHFFFAOYSA-N	0	0	370.453	2.963	10	30		FFEERN
C[C@@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccc2ccccc2c1	ZINC000329196454	512003053	/nfs/dbraw/zinc/00/30/53/512003053.db2.gz	UUXDSWBMRRLXEK-MDASCCDHSA-N	0	0	372.490	2.976	10	30		FFEERN
C[C@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1cccc2ccccc21	ZINC000329192816	512003076	/nfs/dbraw/zinc/00/30/76/512003076.db2.gz	SFTMQYGOSHYNNE-URLQWDBASA-N	0	0	372.490	2.976	10	30		FFEERN
CC[C@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccc(Cl)cc1	ZINC000329199868	512003604	/nfs/dbraw/zinc/00/36/04/512003604.db2.gz	VZHZAOHKZDLMQR-CWRNSKLLSA-N	0	0	370.902	2.867	10	30		FFEERN
C[C@@H]1CCCN(Cc2csc(NC(=O)N3CCc4cncnc4C3)n2)C1	ZINC000329285793	512020171	/nfs/dbraw/zinc/02/01/71/512020171.db2.gz	OMIBQZDVEZWYPF-CYBMUJFWSA-N	0	0	372.498	2.769	10	30		FFEERN
CC(C)[C@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000329354720	512032180	/nfs/dbraw/zinc/03/21/80/512032180.db2.gz	VMJUIQVZUUOFJZ-GPMSIDNRSA-N	0	0	373.501	2.649	10	30		FFEERN
CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCC(F)(F)[C@H](C)C1	ZINC000329544253	512067302	/nfs/dbraw/zinc/06/73/02/512067302.db2.gz	FWLAFGGKEIKABE-VNHYZAJKSA-N	0	0	356.417	2.872	10	30		FFEERN
C[C@@H]1CC(CNC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C[C@@H](C)O1	ZINC000329558613	512069845	/nfs/dbraw/zinc/06/98/45/512069845.db2.gz	FKLYVOKKCLKIEG-IIAWOOMASA-N	0	0	351.491	2.627	10	30		FFEERN
C[C@@H](NC(=O)N1CCc2cncnc2C1)c1nc(C2CCCCC2)no1	ZINC000329815101	512100528	/nfs/dbraw/zinc/10/05/28/512100528.db2.gz	UZORAJSOEHQHJY-GFCCVEGCSA-N	0	0	356.430	2.941	10	30		FFEERN
N#Cc1nc(N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)ccc1C(F)(F)F	ZINC000407953405	512974299	/nfs/dbraw/zinc/97/42/99/512974299.db2.gz	BDQCIGQWNDURRF-NHYWBVRUSA-N	0	0	364.371	2.952	10	30		FFEERN
C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1	ZINC000408033503	512987326	/nfs/dbraw/zinc/98/73/26/512987326.db2.gz	MUKRQGJXVJIKCF-XPKDYRNWSA-N	0	0	355.360	2.728	10	30		FFEERN
N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1Br	ZINC000408191759	513018174	/nfs/dbraw/zinc/01/81/74/513018174.db2.gz	HWOBEJUXNXMNHX-UWVGGRQHSA-N	0	0	373.247	2.880	10	30		FFEERN
N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)c2c(c1)OCCO2	ZINC000408328828	513045573	/nfs/dbraw/zinc/04/55/73/513045573.db2.gz	HDORDBGNEITFMJ-CABZTGNLSA-N	0	0	351.200	2.642	10	30		FFEERN
Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000408340290	513047549	/nfs/dbraw/zinc/04/75/49/513047549.db2.gz	VESBDELQBONTGH-SKDRFNHKSA-N	0	0	361.236	2.867	10	30		FFEERN
COC(=O)Cc1cc(C#N)c(C(F)F)cc1I	ZINC000575389686	518208938	/nfs/dbraw/zinc/20/89/38/518208938.db2.gz	ZVUZCOFNOUGOQB-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)c1ccc(OC(F)F)c(I)c1C#N	ZINC000575386313	518208946	/nfs/dbraw/zinc/20/89/46/518208946.db2.gz	NQIIJOUNHYLXFE-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
N#CCc1cc(I)c([N+](=O)[O-])c(OC(F)F)c1	ZINC000575667883	518244994	/nfs/dbraw/zinc/24/49/94/518244994.db2.gz	SNFQONMUWQCHFA-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
C#CCOC[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1F	ZINC000036103174	518313430	/nfs/dbraw/zinc/31/34/30/518313430.db2.gz	GSYWZCPRNAHCJU-GOSISDBHSA-N	0	0	371.408	2.567	10	30		FFEERN
CC(C)c1noc([C@@]23CCC[C@@H]2CN(CC(=O)NC2CCOCC2)C3)n1	ZINC000328606968	519909275	/nfs/dbraw/zinc/90/92/75/519909275.db2.gz	UHYITWKLJHOEAG-AUUYWEPGSA-N	0	0	362.474	2.682	10	30		FFEERN
C#CCN(C(=O)c1ccc(OCCCCC)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000104306636	728501525	/nfs/dbraw/zinc/50/15/25/728501525.db2.gz	GFWPVNVQBZQVPN-QGZVFWFLSA-N	0	0	363.479	2.518	10	30		FFEERN
C#CCCCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000126425130	728702033	/nfs/dbraw/zinc/70/20/33/728702033.db2.gz	BWOXCHAZWAJZRK-HNNXBMFYSA-N	0	0	366.801	2.959	10	30		FFEERN
C#CCCCNC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1	ZINC000174275101	729067586	/nfs/dbraw/zinc/06/75/86/729067586.db2.gz	RBICPMGOGPOGLN-CQSZACIVSA-N	0	0	367.243	2.766	10	30		FFEERN
COCCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000246093763	729580322	/nfs/dbraw/zinc/58/03/22/729580322.db2.gz	IBJLVAIYBCVUAF-SDDRHHMPSA-N	0	0	355.221	2.568	10	30		FFEERN
N#C[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O	ZINC000333553151	729809065	/nfs/dbraw/zinc/80/90/65/729809065.db2.gz	FXVKSBPYZGGVBD-CQDKDKBSSA-N	0	0	353.344	2.972	10	30		FFEERN
Cc1cnc([C@H](C)NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)o1	ZINC000328932661	965065124	/nfs/dbraw/zinc/06/51/24/965065124.db2.gz	BPMFAKCEXPOKRW-DXCKQFNASA-N	0	0	371.441	2.876	10	30		FFEERN
C[C@H](NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)C12CC3CC(CC(C3)C1)C2	ZINC000329000848	965437101	/nfs/dbraw/zinc/43/71/01/965437101.db2.gz	XKSZDMUSCVWARW-QNKUTRHNSA-N	0	0	360.502	2.808	10	30		FFEERN
Cc1nnc2n1C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)CC2	ZINC000329650061	967912621	/nfs/dbraw/zinc/91/26/21/967912621.db2.gz	KIKWJNIMBGLIQZ-BBWFWOEESA-N	0	0	373.501	2.534	10	30		FFEERN
CNC(=O)c1cccc(OCc2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)c1	ZINC000329703316	967956233	/nfs/dbraw/zinc/95/62/33/967956233.db2.gz	IGHWAWWOAISDKV-ZBFHGGJFSA-N	0	0	372.425	2.509	10	30		FFEERN
C#CCOc1cccc(COC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)c1	ZINC000107021095	976545608	/nfs/dbraw/zinc/54/56/08/976545608.db2.gz	AZPCSUBPJHBJMC-LJQANCHMSA-N	0	0	366.417	2.591	10	30		FFEERN
CC(C)(C)c1cc(NC(=O)N[C@H]2CCC[C@@H]2C#N)n(-c2ncccn2)n1	ZINC000332946549	977690307	/nfs/dbraw/zinc/69/03/07/977690307.db2.gz	QWTOADFFZSOYCN-OLZOCXBDSA-N	0	0	353.430	2.774	10	30		FFEERN
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ncon2)cc1	ZINC000107409291	1005438377	/nfs/dbraw/zinc/43/83/77/1005438377.db2.gz	KGLJQYKYCMSXOF-AWEZNQCLSA-N	0	0	362.345	2.706	10	30		FFEERN
CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1cncc(C(=O)NC)c1	ZINC000110202571	1005914646	/nfs/dbraw/zinc/91/46/46/1005914646.db2.gz	KURURFDKBZPEOD-CMDGGOBGSA-N	0	0	362.433	2.765	10	30		FFEERN
COc1c(Br)cc(Br)cc1/C=N\n1cnnc1	ZINC000005526538	204213008	/nfs/dbraw/zinc/21/30/08/204213008.db2.gz	IGFCELPPIXEQOO-TVPGTPATSA-N	0	0	360.009	2.694	10	30		FFEERN
COc1ccc(/C=N/n2cncn2)cc1COc1ccc([N+](=O)[O-])cc1	ZINC000006182182	204239649	/nfs/dbraw/zinc/23/96/49/204239649.db2.gz	KKRDSHHJWATNFM-DJKKODMXSA-N	0	0	353.338	2.656	10	30		FFEERN
COCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(N(C)C)cc1	ZINC000040358403	205067181	/nfs/dbraw/zinc/06/71/81/205067181.db2.gz	LHTRVHFHLHJXPP-GOSISDBHSA-N	0	0	360.454	2.710	10	30		FFEERN
O=c1[nH][nH]c2c1[C@H](c1ncc[nH]1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018196397	220228031	/nfs/dbraw/zinc/22/80/31/220228031.db2.gz	WKRMTAQDNWDZHG-ISVAXAHUSA-N	0	0	353.407	2.858	10	30		FFEERN
C=CCNC(=O)N1CC[C@H]2CC(=O)N(Cc3ccc(OC)cc3)CC[C@H]2C1	ZINC000015673099	206315728	/nfs/dbraw/zinc/31/57/28/206315728.db2.gz	TUASAQHDHYKEJV-ROUUACIJSA-N	0	0	371.481	2.651	10	30		FFEERN
N#Cc1ccc2ncc(CN3CCCC[C@@H]3c3nnc4n3CCCC4)n2c1	ZINC000092811985	250002442	/nfs/dbraw/zinc/00/24/42/250002442.db2.gz	KZMSUQFNAOMRAH-QGZVFWFLSA-N	0	0	361.453	2.861	10	30		FFEERN
Cn1c2c(nc1[C@H]1CCCN1S(=O)(=O)c1cccc(C#N)c1)CCCC2	ZINC000278697052	256338879	/nfs/dbraw/zinc/33/88/79/256338879.db2.gz	MPTUSRFJVKQTOY-GOSISDBHSA-N	0	0	370.478	2.696	10	30		FFEERN
N#Cc1cc(F)c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(F)c1	ZINC000301671612	258062250	/nfs/dbraw/zinc/06/22/50/258062250.db2.gz	ZEAGVJOBZUKSCJ-RTBURBONSA-N	0	0	355.388	2.926	10	30		FFEERN
Cc1cc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C#N)c(C)n1	ZINC000301789231	258067662	/nfs/dbraw/zinc/06/76/62/258067662.db2.gz	PYWDUCVXWHLJPG-UHFFFAOYSA-N	0	0	370.478	2.967	10	30		FFEERN
Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000408340285	513046997	/nfs/dbraw/zinc/04/69/97/513046997.db2.gz	VESBDELQBONTGH-BXKDBHETSA-N	0	0	361.236	2.867	10	30		FFEERN
COC(=O)Cc1c(I)c(C#N)ccc1C(F)F	ZINC000575389270	518208528	/nfs/dbraw/zinc/20/85/28/518208528.db2.gz	IZPAKKBNAVLHDF-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
C=CCNC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc(OC)c1	ZINC000034921142	506374817	/nfs/dbraw/zinc/37/48/17/506374817.db2.gz	AWISQEVJAKQTDJ-GFBDMGBSSA-N	0	0	372.465	2.745	10	30		FFEERN
C=CCN1C(=O)[C@H](C(C)C)NC12CCN(C(=O)c1ccc(C)cc1)CC2	ZINC000036020126	506394623	/nfs/dbraw/zinc/39/46/23/506394623.db2.gz	INZNYUWENLDOSD-SFHVURJKSA-N	0	0	355.482	2.570	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N1CCO[C@@H]2CCCC[C@H]21	ZINC000046490944	507144776	/nfs/dbraw/zinc/14/47/76/507144776.db2.gz	WZAKRTUBGTXHBP-IAGOWNOFSA-N	0	0	358.438	2.896	10	30		FFEERN
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3ncon3)cc2)CC1	ZINC000107209777	507838175	/nfs/dbraw/zinc/83/81/75/507838175.db2.gz	PYQMHFIRSKUBBV-IBGZPJMESA-N	0	0	373.416	2.759	10	30		FFEERN
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@H](C#N)C2CC2)cc1	ZINC000108838429	507921237	/nfs/dbraw/zinc/92/12/37/507921237.db2.gz	MRUCFJKBZOOECG-GOSISDBHSA-N	0	0	369.446	2.544	10	30		FFEERN
Cc1cccc(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)n1	ZINC000108891292	507923594	/nfs/dbraw/zinc/92/35/94/507923594.db2.gz	SIQRPONACRDUCO-UHFFFAOYSA-N	0	0	350.422	2.733	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1	ZINC000110423413	508027220	/nfs/dbraw/zinc/02/72/20/508027220.db2.gz	LWESDUJFYIEWND-QGZVFWFLSA-N	0	0	374.506	2.959	10	30		FFEERN
N#Cc1cc(N2CCC[C@@H]2C(=O)N2CCSCC2)nc2ccccc12	ZINC000075048930	508079356	/nfs/dbraw/zinc/07/93/56/508079356.db2.gz	OEIPANOIQFBJPL-QGZVFWFLSA-N	0	0	352.463	2.651	10	30		FFEERN
CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1C[C@@H]1C	ZINC000075515298	508112533	/nfs/dbraw/zinc/11/25/33/508112533.db2.gz	SEXTXRGNRSYUSC-JOYOIKCWSA-N	0	0	353.216	2.623	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCC[C@@H](c3nncn3CC)C2)c1C	ZINC000103477045	508314206	/nfs/dbraw/zinc/31/42/06/508314206.db2.gz	OERADVCSQRFEKS-QGZVFWFLSA-N	0	0	355.486	2.965	10	30		FFEERN
Cc1nc([C@H](NC(=O)c2ccccc2OCC#N)c2ccccc2F)no1	ZINC000114650212	508334320	/nfs/dbraw/zinc/33/43/20/508334320.db2.gz	KXUNTYPMSNCERJ-QGZVFWFLSA-N	0	0	366.352	2.939	10	30		FFEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCCCOc1cccc(C#N)c1	ZINC000088198292	508356311	/nfs/dbraw/zinc/35/63/11/508356311.db2.gz	KJGWAVSKAXFSEK-KRWDZBQOSA-N	0	0	367.453	2.913	10	30		FFEERN
C=CCc1cc(C(=O)N[C@H]2CCCn3nc(CC)nc32)cc(OC)c1OC	ZINC000088197430	508356409	/nfs/dbraw/zinc/35/64/09/508356409.db2.gz	KRRLAKGWXPTQQK-HNNXBMFYSA-N	0	0	370.453	2.851	10	30		FFEERN
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000156461208	508424364	/nfs/dbraw/zinc/42/43/64/508424364.db2.gz	UFFDNDVGLQBSOM-KBPBESRZSA-N	0	0	361.446	2.819	10	30		FFEERN
Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCC(C#N)CC1)CC2	ZINC000128183852	508559552	/nfs/dbraw/zinc/55/95/52/508559552.db2.gz	JMZVZTTXINALMQ-LBPRGKRZSA-N	0	0	352.360	2.671	10	30		FFEERN
C[C@H](C#N)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br	ZINC000135590178	508628188	/nfs/dbraw/zinc/62/81/88/508628188.db2.gz	JNPJFUPOSYTKIR-ZCFIWIBFSA-N	0	0	373.150	2.538	10	30		FFEERN
C=CCNc1ncc(C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)s1	ZINC000129024485	508672290	/nfs/dbraw/zinc/67/22/90/508672290.db2.gz	KAXIOMINCSZCQA-CQSZACIVSA-N	0	0	360.487	2.502	10	30		FFEERN
N#CCc1ccc(NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cc1	ZINC000118796939	508673621	/nfs/dbraw/zinc/67/36/21/508673621.db2.gz	OCXVFKLKIXBUQF-FQEVSTJZSA-N	0	0	364.449	2.636	10	30		FFEERN
COc1cc(/C=C/C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)ccc1OCC#N	ZINC000123460655	508690078	/nfs/dbraw/zinc/69/00/78/508690078.db2.gz	BYYJKEWVCXQQDJ-BMTPJICMSA-N	0	0	356.422	2.685	10	30		FFEERN
CC1([C@@H](C#N)NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)COC1	ZINC000146615746	508852782	/nfs/dbraw/zinc/85/27/82/508852782.db2.gz	HOIIQDRAQAKEDP-CQSZACIVSA-N	0	0	369.343	2.559	10	30		FFEERN
C=CCc1cc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc(OC)c1O	ZINC000119783311	508861556	/nfs/dbraw/zinc/86/15/56/508861556.db2.gz	TZQZWGKCEAENBG-SFHVURJKSA-N	0	0	352.434	2.542	10	30		FFEERN
Cc1nn(C)c(C)c1CN1CCN(CC#Cc2cccc(Cl)c2)CC1	ZINC000159951368	508915738	/nfs/dbraw/zinc/91/57/38/508915738.db2.gz	PVCCODZXIGCLOG-UHFFFAOYSA-N	0	0	356.901	2.860	10	30		FFEERN
CN(C(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000133087541	509114734	/nfs/dbraw/zinc/11/47/34/509114734.db2.gz	UVAFGLBAOCUQCY-QGZVFWFLSA-N	0	0	350.426	2.675	10	30		FFEERN
Cn1cc([C@H]2CCCN2C(=O)Nc2ncccc2OCCCC#N)cn1	ZINC000188666926	509202167	/nfs/dbraw/zinc/20/21/67/509202167.db2.gz	VILPEFLWMQXRAY-OAHLLOKOSA-N	0	0	354.414	2.867	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1	ZINC000192379137	509491742	/nfs/dbraw/zinc/49/17/42/509491742.db2.gz	UPAHJEHZGUNXMQ-JKSUJKDBSA-N	0	0	372.425	2.614	10	30		FFEERN
C[C@H]1CN([C@H](CNC(=O)c2cccc(F)c2C#N)c2cccs2)CCO1	ZINC000249596712	509722017	/nfs/dbraw/zinc/72/20/17/509722017.db2.gz	XAAHVUBFYPKNFE-SUMWQHHRSA-N	0	0	373.453	2.951	10	30		FFEERN
CCn1cnnc1C1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000173703064	509730160	/nfs/dbraw/zinc/73/01/60/509730160.db2.gz	OYEAVXUOFTWZTP-UHFFFAOYSA-N	0	0	363.425	2.599	10	30		FFEERN
CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)Cc1ccc(C#N)cc1	ZINC000173919549	509855386	/nfs/dbraw/zinc/85/53/86/509855386.db2.gz	XTBFVMVBESABRM-IAGOWNOFSA-N	0	0	357.454	2.910	10	30		FFEERN
C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1cccc(-n2ccnc2)c1	ZINC000173966278	509878272	/nfs/dbraw/zinc/87/82/72/509878272.db2.gz	SKRFQNADAOMLAN-HNNXBMFYSA-N	0	0	366.446	2.925	10	30		FFEERN
CCCNC(=O)c1c(N=Cc2ccc(OC(F)F)c(OC)c2)cnn1C	ZINC000254348663	509905740	/nfs/dbraw/zinc/90/57/40/509905740.db2.gz	WJCAHBAKDKQYRN-UHFFFAOYSA-N	0	0	366.368	2.921	10	30		FFEERN
COc1ccc(C=Nc2cnn(C)c2C(=O)NCc2ccco2)cc1OC	ZINC000254868057	509912299	/nfs/dbraw/zinc/91/22/99/509912299.db2.gz	QLFLGIAVVGBIQI-UHFFFAOYSA-N	0	0	368.393	2.711	10	30		FFEERN
CCCn1cc(CN2CCCN(C(=O)c3cc(C#N)cs3)CC2)cn1	ZINC000177496565	510096209	/nfs/dbraw/zinc/09/62/09/510096209.db2.gz	QEDZJTMFUROSDL-UHFFFAOYSA-N	0	0	357.483	2.574	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)C2)c1	ZINC000177673110	510194609	/nfs/dbraw/zinc/19/46/09/510194609.db2.gz	UOOPMFSXKBPSBA-OAHLLOKOSA-N	0	0	371.828	2.519	10	30		FFEERN
C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[C@@H](O)c1ccc(C#N)cc1)C2=O	ZINC000245970420	510233287	/nfs/dbraw/zinc/23/32/87/510233287.db2.gz	FJFLGCYORZBZTR-OWDMVUQNSA-N	0	0	355.438	2.728	10	30		FFEERN
Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000184337365	510271370	/nfs/dbraw/zinc/27/13/70/510271370.db2.gz	NATYIFDTUQNUFD-QGZVFWFLSA-N	0	0	373.334	2.597	10	30		FFEERN
N#CCCN(C(=O)CN1CC[C@H](CNc2ccccn2)C1)c1ccccc1	ZINC000171648172	510277033	/nfs/dbraw/zinc/27/70/33/510277033.db2.gz	UMEDWVSJOKWHSC-GOSISDBHSA-N	0	0	363.465	2.762	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)CC2	ZINC000184350653	510279651	/nfs/dbraw/zinc/27/96/51/510279651.db2.gz	TWHFKIBMSZZTME-ZIAGYGMSSA-N	0	0	368.441	2.829	10	30		FFEERN
N#Cc1ccc(Cn2cnc(NC(=O)c3cc4c(s3)CCOC4)n2)cc1	ZINC000177994973	510365292	/nfs/dbraw/zinc/36/52/92/510365292.db2.gz	FGTHOQMPRBIIJV-UHFFFAOYSA-N	0	0	365.418	2.585	10	30		FFEERN
C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)c1cccc(Cl)c1	ZINC000181343897	510365696	/nfs/dbraw/zinc/36/56/96/510365696.db2.gz	MDWWGKRIWGKEQO-NSHDSACASA-N	0	0	373.844	2.979	10	30		FFEERN
N#Cc1ccccc1CSCCNc1cc(N2CCC[C@H]2CO)ncn1	ZINC000171811872	510385137	/nfs/dbraw/zinc/38/51/37/510385137.db2.gz	WSXFZKNJNZBCTO-KRWDZBQOSA-N	0	0	369.494	2.655	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000181574618	510480367	/nfs/dbraw/zinc/48/03/67/510480367.db2.gz	JEJNVNLELWCEFA-INIZCTEOSA-N	0	0	369.469	2.781	10	30		FFEERN
CN1C(=O)CC[C@H](C(=O)NCc2ccc(C#N)cc2F)[C@@H]1c1ccccc1	ZINC000171997129	510491754	/nfs/dbraw/zinc/49/17/54/510491754.db2.gz	DVSGUSQACVDCFZ-PXNSSMCTSA-N	0	0	365.408	2.923	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1	ZINC000188066675	510574455	/nfs/dbraw/zinc/57/44/55/510574455.db2.gz	BMJSOYSOTNLBDX-HNNXBMFYSA-N	0	0	354.410	2.877	10	30		FFEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@H](c2nc(C)cs2)C1	ZINC000246602439	510578282	/nfs/dbraw/zinc/57/82/82/510578282.db2.gz	XNJDBUCSQWOFDI-JKSUJKDBSA-N	0	0	357.435	2.611	10	30		FFEERN
N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@@H](Cn2cncn2)C1	ZINC000172171395	510581079	/nfs/dbraw/zinc/58/10/79/510581079.db2.gz	BFLCUWBPQVUGDN-GFCCVEGCSA-N	0	0	354.364	2.893	10	30		FFEERN
Cc1cc(C#N)ccc1S(=O)(=O)N1Cc2ccccc2N(C)C[C@H]1C	ZINC000246627959	510592396	/nfs/dbraw/zinc/59/23/96/510592396.db2.gz	YMRDECMKTZAQBX-OAHLLOKOSA-N	0	0	355.463	2.896	10	30		FFEERN
N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1	ZINC000185012702	510635187	/nfs/dbraw/zinc/63/51/87/510635187.db2.gz	RRJZFUWXZUIKNK-GJZGRUSLSA-N	0	0	364.858	2.870	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1	ZINC000188287642	510691130	/nfs/dbraw/zinc/69/11/30/510691130.db2.gz	SXSLEKZNZBBCLT-TXPKVOOTSA-N	0	0	366.527	2.855	10	30		FFEERN
CNC(=O)[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(C)C	ZINC000178691052	510723718	/nfs/dbraw/zinc/72/37/18/510723718.db2.gz	XQTPJWYHFYSIEP-GOSISDBHSA-N	0	0	351.406	2.851	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCO[C@H](c3cnn(CC)c3)C2)cc1OC	ZINC000191770773	510822048	/nfs/dbraw/zinc/82/20/48/510822048.db2.gz	RWIRCVJDIKBQHT-IBGZPJMESA-N	0	0	371.437	2.690	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N1CCO[C@@H](c2cnn(CC)c2)C1	ZINC000191780414	510827953	/nfs/dbraw/zinc/82/79/53/510827953.db2.gz	WNNVYJDSILKSLX-LJQANCHMSA-N	0	0	371.437	2.690	10	30		FFEERN
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000185424953	510841330	/nfs/dbraw/zinc/84/13/30/510841330.db2.gz	TXYZJBFDZHYLJL-VXGBXAGGSA-N	0	0	362.373	2.966	10	30		FFEERN
CS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C1	ZINC000330013755	510899762	/nfs/dbraw/zinc/89/97/62/510899762.db2.gz	AGEQJVCFULYHAU-NHIYQJMISA-N	0	0	365.503	2.758	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)OCCCO2	ZINC000330088543	510913242	/nfs/dbraw/zinc/91/32/42/510913242.db2.gz	UVUWDHQHPDJTQS-RDTXWAMCSA-N	0	0	357.410	2.816	10	30		FFEERN
N#C[C@@H]1CN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)C[C@H]1c1ccccc1	ZINC000330214100	510938691	/nfs/dbraw/zinc/93/86/91/510938691.db2.gz	LKPJNPUITQPXJH-QYZOEREBSA-N	0	0	369.465	2.868	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1	ZINC000330251528	510948315	/nfs/dbraw/zinc/94/83/15/510948315.db2.gz	HSLSWQIKVXDFJA-BPLDGKMQSA-N	0	0	364.446	2.582	10	30		FFEERN
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCc2cncnc2C1	ZINC000330356862	510973380	/nfs/dbraw/zinc/97/33/80/510973380.db2.gz	SDESGSZFJPLOCK-OAHLLOKOSA-N	0	0	357.845	2.681	10	30		FFEERN
O=C(CS)Nc1cc(Br)ccc1I	ZINC000300918819	511688374	/nfs/dbraw/zinc/68/83/74/511688374.db2.gz	WIZVFZWYHLKQLP-UHFFFAOYSA-N	0	0	372.025	2.922	10	30		FFEERN
CCn1cc(NC(=O)C2CCN(c3cc(C(C)=O)ccc3C#N)CC2)cn1	ZINC000302091465	511705476	/nfs/dbraw/zinc/70/54/76/511705476.db2.gz	HAKHZQWEWNGLBI-UHFFFAOYSA-N	0	0	365.437	2.832	10	30		FFEERN
N#Cc1cc(I)c(F)cc1I	ZINC000306931532	511766115	/nfs/dbraw/zinc/76/61/15/511766115.db2.gz	CTOJJRRWVQBDFW-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H]4[C@@H](C3)NC(=O)N4C)c2c1	ZINC000284598709	511787790	/nfs/dbraw/zinc/78/77/90/511787790.db2.gz	PQEZSXFXDPLLBB-CABCVRRESA-N	0	0	355.829	2.671	10	30		FFEERN
CC(C)CCO[C@H]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1	ZINC000328623809	511896718	/nfs/dbraw/zinc/89/67/18/511896718.db2.gz	ZBBURXKIRWQWIP-SQNIBIBYSA-N	0	0	365.518	2.829	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n3ccnc3)C1)CCC2	ZINC000328692343	511916260	/nfs/dbraw/zinc/91/62/60/511916260.db2.gz	FHACNFAEOOXJCL-XIRDDKMYSA-N	0	0	356.474	2.763	10	30		FFEERN
C[C@H](NC(=O)N[C@@H]1CCC(=O)NC12CCC2)c1cn(-c2ccccc2)nn1	ZINC000328731504	511922496	/nfs/dbraw/zinc/92/24/96/511922496.db2.gz	GPTCDYXHZANISI-XJKSGUPXSA-N	0	0	368.441	2.874	10	30		FFEERN
C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1	ZINC000328742364	511924022	/nfs/dbraw/zinc/92/40/22/511924022.db2.gz	NXIHTEUZWSLGEI-KGLIPLIRSA-N	0	0	366.531	2.822	10	30		FFEERN
C[C@H](CC1CC1)NC(=O)N1CCOC[C@H]1c1ncnn1-c1ccccc1	ZINC000328874040	511944146	/nfs/dbraw/zinc/94/41/46/511944146.db2.gz	JIBSLSMUTMWQJC-PBHICJAKSA-N	0	0	355.442	2.743	10	30		FFEERN
Cc1coc(-c2cccc(NC(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)c2)n1	ZINC000329003795	511965640	/nfs/dbraw/zinc/96/56/40/511965640.db2.gz	YDRMPUSYSSRSEA-IRXDYDNUSA-N	0	0	356.426	2.600	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)N(C)C1	ZINC000329009932	511967159	/nfs/dbraw/zinc/96/71/59/511967159.db2.gz	DGWVLOVVMJGTNX-MWNCTCPHSA-N	0	0	356.825	2.985	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC2CCC(C)(C)CC2)C1	ZINC000329041923	511972263	/nfs/dbraw/zinc/97/22/63/511972263.db2.gz	IKFHIAMMFKCEOO-HOTGVXAUSA-N	0	0	351.491	2.581	10	30		FFEERN
Cc1cnc(-c2cccc(NC(=O)N3CC[C@H]4OCCN(C)[C@@H]4C3)c2)o1	ZINC000329055803	511974087	/nfs/dbraw/zinc/97/40/87/511974087.db2.gz	XTCGSICAJNRNEX-IAGOWNOFSA-N	0	0	356.426	2.600	10	30		FFEERN
CC(C)(C)C(=O)NC1CCC(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1	ZINC000329053285	511974477	/nfs/dbraw/zinc/97/44/77/511974477.db2.gz	RVXIMADNTWWMNZ-PFSRBDOWSA-N	0	0	363.462	2.736	10	30		FFEERN
Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1cc(Br)c[nH]c1=O	ZINC000329072327	511977704	/nfs/dbraw/zinc/97/77/04/511977704.db2.gz	ZKRNZTAMLWYYCG-MWLCHTKSSA-N	0	0	367.203	2.649	10	30		FFEERN
COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329134786	511990308	/nfs/dbraw/zinc/99/03/08/511990308.db2.gz	ZUEWHICNOIQCIO-MOXGXCLJSA-N	0	0	360.454	2.914	10	30		FFEERN
CC(C)n1ncc2c1C[C@@H](NC([O-])=[NH+][C@H]1CCO[C@@H]1c1cccnc1)CC2	ZINC000329157122	511995032	/nfs/dbraw/zinc/99/50/32/511995032.db2.gz	CHBINAQYZSTSNO-JENIJYKNSA-N	0	0	369.469	2.750	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)no1	ZINC000329327004	512027544	/nfs/dbraw/zinc/02/75/44/512027544.db2.gz	UHYOHRYLXJKXCU-FZMZJTMJSA-N	0	0	358.398	2.961	10	30		FFEERN
CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCC(F)(F)[C@@H](C)C1	ZINC000329544251	512067703	/nfs/dbraw/zinc/06/77/03/512067703.db2.gz	FWLAFGGKEIKABE-KCQAQPDRSA-N	0	0	356.417	2.872	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCCCN3C(=O)C(C)C)C2)nn1	ZINC000329572224	512070978	/nfs/dbraw/zinc/07/09/78/512070978.db2.gz	JBKFUEDJSQSGNG-IRXDYDNUSA-N	0	0	373.501	2.747	10	30		FFEERN
C[C@H](CC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)NC(=O)C1CCCCC1	ZINC000329596265	512074229	/nfs/dbraw/zinc/07/42/29/512074229.db2.gz	VRYVQBMFABYXGP-JFIYKMOQSA-N	0	0	365.518	2.623	10	30		FFEERN
N#Cc1c(C#N)c(N2CCC[C@]3(CNC(=O)C3)C2)nc2c1CCCCCC2	ZINC000408330568	513045773	/nfs/dbraw/zinc/04/57/73/513045773.db2.gz	NJVMPRKSUSZMSX-NRFANRHFSA-N	0	0	363.465	2.590	10	30		FFEERN
N#CCc1cc(OC(F)F)cc(I)c1[N+](=O)[O-]	ZINC000575666897	518245461	/nfs/dbraw/zinc/24/54/61/518245461.db2.gz	KPRAXNUZVYLPAA-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
N#Cc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1	ZINC000275785737	526592546	/nfs/dbraw/zinc/59/25/46/526592546.db2.gz	YYAVMRHXNOEPCP-GOSISDBHSA-N	0	0	362.433	2.847	10	30		FFEERN
C[C@@H](NC(=O)NCC#Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1	ZINC000045611360	728005086	/nfs/dbraw/zinc/00/50/86/728005086.db2.gz	RAKWPGUPTKKCTK-OAHLLOKOSA-N	0	0	356.447	2.502	10	30		FFEERN
C#CCN(C(=O)c1sc2cccc(F)c2c1C)[C@H]1CCS(=O)(=O)C1	ZINC000104308599	728501496	/nfs/dbraw/zinc/50/14/96/728501496.db2.gz	WJEHDAARLRNFPB-LBPRGKRZSA-N	0	0	365.451	2.611	10	30		FFEERN
C#CCOc1ccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000108290758	728520975	/nfs/dbraw/zinc/52/09/75/728520975.db2.gz	JOAFLHPINILHHG-UHFFFAOYSA-N	0	0	363.822	2.764	10	30		FFEERN
COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000246101548	729580528	/nfs/dbraw/zinc/58/05/28/729580528.db2.gz	JTDHOQQPYHDUEB-RWMBFGLXSA-N	0	0	369.248	2.958	10	30		FFEERN
CS(=O)(=O)[C@H]1CCCCN(C(=O)NC2C3CC4CC(C3)CC2C4)C1	ZINC000328622706	729794533	/nfs/dbraw/zinc/79/45/33/729794533.db2.gz	YIPDKAZNBFWGCF-IKXAHOJESA-N	0	0	354.516	2.624	10	30		FFEERN
Cc1ncsc1CNC(=O)N1CCN(c2nc3ccccc3o2)CC1	ZINC000329460519	729797601	/nfs/dbraw/zinc/79/76/01/729797601.db2.gz	RYCWRIOXURAJPD-UHFFFAOYSA-N	0	0	357.439	2.829	10	30		FFEERN
CN(C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)C1CCC(F)(F)CC1	ZINC000329515080	729797874	/nfs/dbraw/zinc/79/78/74/729797874.db2.gz	OKCWAQVLHOJTMK-SWLSCSKDSA-N	0	0	356.417	2.921	10	30		FFEERN
Cc1nc([C@H](C)NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cs1	ZINC000329689768	729798567	/nfs/dbraw/zinc/79/85/67/729798567.db2.gz	VUDIPLLXEUHIEK-GXTWGEPZSA-N	0	0	360.487	2.817	10	30		FFEERN
Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CC[C@@H](C)C1	ZINC000329919177	729799467	/nfs/dbraw/zinc/79/94/67/729799467.db2.gz	DCMTXCJDJNWVMU-CAPXZKIUSA-N	0	0	352.454	2.896	10	30		FFEERN
C[C@H](NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@H]1CCCO1	ZINC000329908431	729799494	/nfs/dbraw/zinc/79/94/94/729799494.db2.gz	LSCOYHWGBLLUMY-RZLSGREXSA-N	0	0	355.479	2.732	10	30		FFEERN
C[C@@H]1CN(Cc2csc(NC(=O)N[C@@H]3CCC[C@H]3C#N)n2)C[C@@H](C)O1	ZINC000332877467	729805001	/nfs/dbraw/zinc/80/50/01/729805001.db2.gz	AIZRTHUYDDYBEF-GUIRCDHDSA-N	0	0	363.487	2.566	10	30		FFEERN
C=CCc1ccc(OCC(=O)OCC(=O)NC2CCCCC2)c(OC)c1	ZINC000009532912	1013309414	/nfs/dbraw/zinc/30/94/14/1013309414.db2.gz	GDCJGLCAUAWMDM-UHFFFAOYSA-N	0	0	361.438	2.795	10	30		FFEERN
Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cc1S(N)(=O)=O	ZINC000329590515	967826574	/nfs/dbraw/zinc/82/65/74/967826574.db2.gz	TVEXNIKTKXVCFS-HNAYVOBHSA-N	0	0	372.446	2.971	10	30		FFEERN
O=C(NC1CC1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000329771474	968012450	/nfs/dbraw/zinc/01/24/50/968012450.db2.gz	GVKMAAPVTFXUDG-LEUOFYLZSA-N	0	0	358.438	2.725	10	30		FFEERN
C=CCNc1nc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cs1	ZINC000005040342	985552064	/nfs/dbraw/zinc/55/20/64/985552064.db2.gz	KTMKVLIZXCSNQF-UHFFFAOYSA-N	0	0	370.434	2.534	10	30		FFEERN
N#CC1(C(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)CCC1	ZINC000134859063	987281265	/nfs/dbraw/zinc/28/12/65/987281265.db2.gz	YBISINGYPQBUHO-UHFFFAOYSA-N	0	0	350.422	2.680	10	30		FFEERN
COC(=O)C1C(C)=Nc2c(C#N)c(OC)nc(N)c2[C@H]1c1ccc(F)cc1	ZINC000096336742	209151856	/nfs/dbraw/zinc/15/18/56/209151856.db2.gz	ACSCOHDYWDYPQM-AWEZNQCLSA-N	0	0	368.368	2.688	10	30		FFEERN
C=C(C)C(=O)NCCc1nc2ccccc2n1CC(=O)N1CCCCCC1	ZINC000040203807	206659331	/nfs/dbraw/zinc/65/93/31/206659331.db2.gz	JVEJBWFORMNFJD-UHFFFAOYSA-N	0	0	368.481	2.674	10	30		FFEERN
CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000103478459	250157536	/nfs/dbraw/zinc/15/75/36/250157536.db2.gz	NJYRUMCIGVSAOJ-CQSZACIVSA-N	0	0	372.860	2.641	10	30		FFEERN
COc1cc(/C=N/NC(=S)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2C=CC[C@H]32)ccc1O	ZINC000004322411	207013765	/nfs/dbraw/zinc/01/37/65/207013765.db2.gz	NTMXTSMAUQTNMD-SGXMHLDUSA-N	0	0	357.479	2.800	10	30		FFEERN
Cc1c(C(=O)Nc2ccc(C)cc2C)oc2c1C(=NNC(=N)N)CCC2	ZINC000040824758	208270302	/nfs/dbraw/zinc/27/03/02/208270302.db2.gz	OJHXEGOVONFVMY-OEAKJJBVSA-N	0	0	353.426	2.981	10	30		FFEERN
COC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCO	ZINC000047163586	208372733	/nfs/dbraw/zinc/37/27/33/208372733.db2.gz	DHARDVXEBZYNBS-UHFFFAOYSA-N	0	0	366.421	2.568	10	30		FFEERN
Cc1noc([C@@H]2CN(c3cccc(Br)c3C#N)CCN2C)n1	ZINC000291217502	257392140	/nfs/dbraw/zinc/39/21/40/257392140.db2.gz	VQVUYOWIAZRBDP-AWEZNQCLSA-N	0	0	362.231	2.505	10	30		FFEERN
Cc1noc(C)c1CC(=O)N1CCN(c2ccc(Cl)cc2C#N)CC1	ZINC000301179375	258031837	/nfs/dbraw/zinc/03/18/37/258031837.db2.gz	HDTOWVYEMDHUFV-UHFFFAOYSA-N	0	0	358.829	2.708	10	30		FFEERN
N#Cc1cc(NC[C@@H](CO)Cc2ccccn2)nc2ccc([N+](=O)[O-])cc12	ZINC000301571680	258056349	/nfs/dbraw/zinc/05/63/49/258056349.db2.gz	RGRJFLUMVJYEMZ-ZDUSSCGKSA-N	0	0	363.377	2.673	10	30		FFEERN
COC(=O)c1ccc(I)c(C#N)c1C(F)(F)F	ZINC000575392591	518209469	/nfs/dbraw/zinc/20/94/69/518209469.db2.gz	IOSJACBYALABGM-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)Nc2ccccc2)cc1	ZINC000065653854	506341320	/nfs/dbraw/zinc/34/13/20/506341320.db2.gz	ICBWXDTXVXCZKD-CQSZACIVSA-N	0	0	366.421	2.751	10	30		FFEERN
COc1ccc(C=Nn2c(=S)[n-]nc2-n2nc(C)cc2C)c(OC)c1	ZINC000005960796	506463297	/nfs/dbraw/zinc/46/32/97/506463297.db2.gz	RYSBGXMUBRBQFD-RQZCQDPDSA-N	0	0	358.427	2.643	10	30		FFEERN
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000066343046	506488560	/nfs/dbraw/zinc/48/85/60/506488560.db2.gz	AXPZOVNXYRCTLK-HWDMNLHRSA-N	0	0	368.433	2.935	10	30		FFEERN
N#Cc1ccc(NC(=O)CNC(=O)c2cccc(Br)c2)cc1	ZINC000015564912	507048106	/nfs/dbraw/zinc/04/81/06/507048106.db2.gz	RLIQFOZPHBHZIB-UHFFFAOYSA-N	0	0	358.195	2.689	10	30		FFEERN
C=CCn1nnnc1SCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1	ZINC000108754586	507916514	/nfs/dbraw/zinc/91/65/14/507916514.db2.gz	AVLROGRAORWKPD-CQSZACIVSA-N	0	0	357.483	2.779	10	30		FFEERN
CCOc1c(Br)cc(C(=O)N[C@@H](C#N)C2CC2)cc1OC	ZINC000108830298	507920966	/nfs/dbraw/zinc/92/09/66/507920966.db2.gz	ICTDISBEPKOZGC-LBPRGKRZSA-N	0	0	353.216	2.888	10	30		FFEERN
N#C[C@@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)C1CC1	ZINC000108833864	507921321	/nfs/dbraw/zinc/92/13/21/507921321.db2.gz	AWBQEVDRWUHJNG-GOSISDBHSA-N	0	0	359.385	2.515	10	30		FFEERN
COc1ccc(-c2nc(CC(=O)N[C@H](C#N)C3CC3)cs2)cc1OC	ZINC000108842659	507921395	/nfs/dbraw/zinc/92/13/95/507921395.db2.gz	MHDSXIJRVUTUBG-CQSZACIVSA-N	0	0	357.435	2.788	10	30		FFEERN
Cn1ncnc1NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1	ZINC000091185388	507963540	/nfs/dbraw/zinc/96/35/40/507963540.db2.gz	QUXAZNPTZWCOQF-AWEZNQCLSA-N	0	0	351.414	2.630	10	30		FFEERN
CCn1cc(CN2CCCN(C(=O)Nc3ccc(C#N)cc3)CC2)cn1	ZINC000112713083	508213899	/nfs/dbraw/zinc/21/38/99/508213899.db2.gz	HRKWYQGJQPLOTH-UHFFFAOYSA-N	0	0	352.442	2.514	10	30		FFEERN
N#CCSc1ccccc1NC(=O)CN1CC[C@@H](Oc2cccnc2)C1	ZINC000152470768	508452337	/nfs/dbraw/zinc/45/23/37/508452337.db2.gz	UKGIDRRYNLABCB-MRXNPFEDSA-N	0	0	368.462	2.789	10	30		FFEERN
CN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CCCN(c2cccnn2)C1	ZINC000122103787	508481023	/nfs/dbraw/zinc/48/10/23/508481023.db2.gz	VRGFUWJSONCAEL-INIZCTEOSA-N	0	0	367.478	2.568	10	30		FFEERN
Cc1cccc(N2CCC(NC(=O)Cc3ccc(OCC#N)cc3)CC2)n1	ZINC000116667289	508544022	/nfs/dbraw/zinc/54/40/22/508544022.db2.gz	HHRKVRHSNQLGFN-UHFFFAOYSA-N	0	0	364.449	2.620	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2C#N)C1	ZINC000157731293	508603635	/nfs/dbraw/zinc/60/36/35/508603635.db2.gz	GABJQOIIFPTWBW-OAHLLOKOSA-N	0	0	358.467	2.651	10	30		FFEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(Cn2cccn2)CC1	ZINC000157811755	508615683	/nfs/dbraw/zinc/61/56/83/508615683.db2.gz	RSCJXPNHERPURV-UHFFFAOYSA-N	0	0	364.858	2.509	10	30		FFEERN
Cc1cnn(CCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1	ZINC000118057022	508629822	/nfs/dbraw/zinc/62/98/22/508629822.db2.gz	IBJZCBNTVVPPRC-UHFFFAOYSA-N	0	0	350.344	2.561	10	30		FFEERN
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H](CO)c1ccccc1	ZINC000158438668	508704654	/nfs/dbraw/zinc/70/46/54/508704654.db2.gz	LESCYIVLKWINKZ-CQSZACIVSA-N	0	0	370.352	2.589	10	30		FFEERN
Cc1ccc([C@@H]2CN([C@@H]3CCN(c4sccc4C#N)C3=O)CCO2)o1	ZINC000158915883	508768424	/nfs/dbraw/zinc/76/84/24/508768424.db2.gz	BVWQPTDZLBFOPT-ZBFHGGJFSA-N	0	0	357.435	2.700	10	30		FFEERN
CC(C)(C)C(O)=C1C(=O)C(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1cc[nH]n1	ZINC000148745783	508865689	/nfs/dbraw/zinc/86/56/89/508865689.db2.gz	YVXMIYRPEXQEKD-HNNXBMFYSA-N	0	0	365.393	2.801	10	30		FFEERN
COCC[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C	ZINC000159923209	508911768	/nfs/dbraw/zinc/91/17/68/508911768.db2.gz	SZXRHGIJVJSVIZ-OAHLLOKOSA-N	0	0	356.388	2.589	10	30		FFEERN
CC[C@H](C#N)NS(=O)(=O)c1cc(Cl)cc(Br)c1OC	ZINC000160874840	509042098	/nfs/dbraw/zinc/04/20/98/509042098.db2.gz	UAJDPSYOPMSFPL-MRVPVSSYSA-N	0	0	367.652	2.692	10	30		FFEERN
C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(-c3ncon3)c2)c1	ZINC000121077579	509122943	/nfs/dbraw/zinc/12/29/43/509122943.db2.gz	FLBHRMOLZODFLB-UHFFFAOYSA-N	0	0	364.361	2.879	10	30		FFEERN
Cc1ccc(-n2nc(CCCNC(=O)N[C@H](C)C(C)C)c(C#N)c2N)cc1	ZINC000175874682	509191066	/nfs/dbraw/zinc/19/10/66/509191066.db2.gz	ZPVHCBRIGCAVCA-OAHLLOKOSA-N	0	0	368.485	2.911	10	30		FFEERN
Cc1oc(NC(=O)[C@H](C)N2CCC(c3ccnn3C)CC2)c(C#N)c1C	ZINC000195502008	509195307	/nfs/dbraw/zinc/19/53/07/509195307.db2.gz	KARKQOHVTQQGEZ-ZDUSSCGKSA-N	0	0	355.442	2.708	10	30		FFEERN
Cn1nccc1C1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000195503801	509197824	/nfs/dbraw/zinc/19/78/24/509197824.db2.gz	ASQUVINQRPUPGU-UHFFFAOYSA-N	0	0	351.454	2.546	10	30		FFEERN
N#Cc1ccc(CNC(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1	ZINC000178956924	509203476	/nfs/dbraw/zinc/20/34/76/509203476.db2.gz	XEJFCLAUPIGDLQ-CRAIPNDOSA-N	0	0	357.360	2.854	10	30		FFEERN
CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)cs2)c2ccc(F)cc2C1	ZINC000185514586	509214811	/nfs/dbraw/zinc/21/48/11/509214811.db2.gz	UTIKYAQRLPXCJF-MRXNPFEDSA-N	0	0	357.410	2.982	10	30		FFEERN
Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(C#N)cc1	ZINC000185590328	509254269	/nfs/dbraw/zinc/25/42/69/509254269.db2.gz	DDAHWANQLJZVOL-QGZVFWFLSA-N	0	0	352.369	2.711	10	30		FFEERN
C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1	ZINC000248591929	509379963	/nfs/dbraw/zinc/37/99/63/509379963.db2.gz	HGFWKQWEKRZCAQ-KVSKMBFKSA-N	0	0	362.470	2.548	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@@H]12	ZINC000248629030	509400336	/nfs/dbraw/zinc/40/03/36/509400336.db2.gz	VYHOQGIMAKPKMR-BRWVUGGUSA-N	0	0	355.438	2.934	10	30		FFEERN
CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cccc(CC#N)c1	ZINC000176537252	509570143	/nfs/dbraw/zinc/57/01/43/509570143.db2.gz	NACQPMLVANIAAR-GOSISDBHSA-N	0	0	369.490	2.960	10	30		FFEERN
Cc1ccc([C@@H](CNC(=O)c2sccc2C#N)N2CCOCC2)s1	ZINC000176567682	509586413	/nfs/dbraw/zinc/58/64/13/509586413.db2.gz	BJFWSHCNDMEZPW-CQSZACIVSA-N	0	0	361.492	2.793	10	30		FFEERN
C[C@@H](N[C@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000173630104	509685426	/nfs/dbraw/zinc/68/54/26/509685426.db2.gz	RGBVERHKBVANRJ-VXGBXAGGSA-N	0	0	372.860	2.817	10	30		FFEERN
N#Cc1cccc(NC(=O)C(=O)N2CC3(CCOCC3)c3ccccc32)c1	ZINC000192929076	509702650	/nfs/dbraw/zinc/70/26/50/509702650.db2.gz	NEDHLFKXYHFYKM-UHFFFAOYSA-N	0	0	361.401	2.592	10	30		FFEERN
C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249537952	509706026	/nfs/dbraw/zinc/70/60/26/509706026.db2.gz	DAPQACPWOKVEFR-SKDZVZGDSA-N	0	0	355.463	2.655	10	30		FFEERN
N#CCOc1ccc(CNC(=O)N2CCC(Nc3nccs3)CC2)cc1	ZINC000186881492	509927610	/nfs/dbraw/zinc/92/76/10/509927610.db2.gz	IGQDBWRGTBNQRE-UHFFFAOYSA-N	0	0	371.466	2.832	10	30		FFEERN
Cc1nn(C)c(C)c1CN1CCN(Cc2ccc(Cl)cc2C#N)CC1	ZINC000186977890	509984514	/nfs/dbraw/zinc/98/45/14/509984514.db2.gz	QLABWVLCIUWTFP-UHFFFAOYSA-N	0	0	357.889	2.880	10	30		FFEERN
CCO[C@H]1C[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C12CCOCC2	ZINC000187094548	510053103	/nfs/dbraw/zinc/05/31/03/510053103.db2.gz	SNGDNGORVGSZBN-MSOLQXFVSA-N	0	0	372.465	2.806	10	30		FFEERN
CCO[C@H]1C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C12CCOCC2	ZINC000187097101	510054414	/nfs/dbraw/zinc/05/44/14/510054414.db2.gz	SWARITJLBTXJBU-MSOLQXFVSA-N	0	0	354.450	2.946	10	30		FFEERN
Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000180746898	510087379	/nfs/dbraw/zinc/08/73/79/510087379.db2.gz	GCWFTKRDLNAWEY-WMZOPIPTSA-N	0	0	364.449	2.561	10	30		FFEERN
C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000177591074	510148524	/nfs/dbraw/zinc/14/85/24/510148524.db2.gz	KHEWIFKKSPUWTA-JTQLQIEISA-N	0	0	358.847	2.562	10	30		FFEERN
CN1CC[C@H](CNS(=O)(=O)Cc2cccc(C#N)c2)c2ccccc21	ZINC000193996989	510167496	/nfs/dbraw/zinc/16/74/96/510167496.db2.gz	WOUVYJVMYGOYTK-QGZVFWFLSA-N	0	0	355.463	2.601	10	30		FFEERN
CC[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cccs1	ZINC000246339804	510434894	/nfs/dbraw/zinc/43/48/94/510434894.db2.gz	GWCGZEDBLDDREB-KGLIPLIRSA-N	0	0	370.482	2.781	10	30		FFEERN
COc1cc(OC)cc([C@@H]2CCN(CC(=O)N[C@](C)(C#N)C(C)C)C2)c1	ZINC000246452916	510496067	/nfs/dbraw/zinc/49/60/67/510496067.db2.gz	MWLRGESPRSQMHK-FOIQADDNSA-N	0	0	359.470	2.548	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N1CCC[C@H](Cc2noc(C)n2)C1	ZINC000188066695	510574305	/nfs/dbraw/zinc/57/43/05/510574305.db2.gz	BMJSOYSOTNLBDX-OAHLLOKOSA-N	0	0	354.410	2.877	10	30		FFEERN
Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000184966716	510607786	/nfs/dbraw/zinc/60/77/86/510607786.db2.gz	ZPWZMQZJOJUIQF-CQSZACIVSA-N	0	0	364.858	2.570	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1	ZINC000188286685	510690326	/nfs/dbraw/zinc/69/03/26/510690326.db2.gz	SPYKXNHWHVHBSG-VQIMIIECSA-N	0	0	366.527	2.775	10	30		FFEERN
CCn1cc(C2CCN(S(=O)(=O)c3ccc(C#N)cc3C)CC2)cn1	ZINC000172676746	510842483	/nfs/dbraw/zinc/84/24/83/510842483.db2.gz	BCPFZCSRGOHGNA-UHFFFAOYSA-N	0	0	358.467	2.651	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](n2cncn2)C1	ZINC000247585190	510866574	/nfs/dbraw/zinc/86/65/74/510866574.db2.gz	IYQMAGDECANYCM-JKSUJKDBSA-N	0	0	359.499	2.580	10	30		FFEERN
Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCc3ccccc32)no1	ZINC000329920301	510876785	/nfs/dbraw/zinc/87/67/85/510876785.db2.gz	DVDLUMDKCGBBJJ-YQQAZPJKSA-N	0	0	358.417	2.977	10	30		FFEERN
O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)N[C@H]1CCc2ccccc21	ZINC000329919109	510876979	/nfs/dbraw/zinc/87/69/79/510876979.db2.gz	RLYZRVMTBJFUJW-ZOBUZTSGSA-N	0	0	355.417	2.585	10	30		FFEERN
C[C@@H]1CC(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[C@@H](C)O1	ZINC000282207046	510886422	/nfs/dbraw/zinc/88/64/22/510886422.db2.gz	LTZUBUNSJDBQFF-HUUCEWRRSA-N	0	0	374.460	2.733	10	30		FFEERN
CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCN(C(C)=O)C2)C12CCCC2	ZINC000330026330	510902215	/nfs/dbraw/zinc/90/22/15/510902215.db2.gz	LJEQFBZMMUNXHM-FGTMMUONSA-N	0	0	365.518	2.829	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cccnc1)CC2	ZINC000330106724	510918346	/nfs/dbraw/zinc/91/83/46/510918346.db2.gz	LEYWRGRBIAODPW-HLLBOEOZSA-N	0	0	355.442	2.846	10	30		FFEERN
CCOc1cc2c(cc1NC(=O)N1CCC[C@H](c3nnc[nH]3)C1)O[C@@H](C)C2	ZINC000330144716	510924420	/nfs/dbraw/zinc/92/44/20/510924420.db2.gz	RVQVXDORJPJANA-STQMWFEESA-N	0	0	371.441	2.952	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCc2cc(C)c(O)c(C)c2)C1	ZINC000330178190	510931391	/nfs/dbraw/zinc/93/13/91/510931391.db2.gz	LKWHMKBXGZCLPP-JKSUJKDBSA-N	0	0	374.441	2.619	10	30		FFEERN
CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCc3cc[nH]c(=O)c3C1)C2	ZINC000330241998	510945514	/nfs/dbraw/zinc/94/55/14/510945514.db2.gz	FYBLEIBEBZXDJP-AWEZNQCLSA-N	0	0	369.469	2.568	10	30		FFEERN
Cn1nccc1[C@@H]1[C@@H](C(=O)N[C@@H]2CCc3c2cccc3F)CC(=O)N1C	ZINC000330253293	510948560	/nfs/dbraw/zinc/94/85/60/510948560.db2.gz	OTCYYAASYGJCQV-JOQOYGCGSA-N	0	0	356.401	2.723	10	30		FFEERN
Cc1c([C@@H]2[C@H](C(=O)N[C@H]3CCc4ccccc43)CC(=O)N2C)cnn1C	ZINC000330299297	510960111	/nfs/dbraw/zinc/96/01/11/510960111.db2.gz	MFKMZKVJIMHINS-AYBZRNKSSA-N	0	0	352.438	2.892	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)N(C(N)=O)CC2	ZINC000330312866	510962415	/nfs/dbraw/zinc/96/24/15/510962415.db2.gz	OMTVNIVHOMGCBP-CZUORRHYSA-N	0	0	355.398	2.641	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)C12CCOCC2	ZINC000328758555	511927183	/nfs/dbraw/zinc/92/71/83/511927183.db2.gz	VZZVYLNEROOKQX-SOUVJXGZSA-N	0	0	365.474	2.506	10	30		FFEERN
Cn1ccnc1N1CCC(NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)CC1	ZINC000328772380	511929912	/nfs/dbraw/zinc/92/99/12/511929912.db2.gz	RLHGUZCEKAVPBF-DLBZAZTESA-N	0	0	355.442	2.518	10	30		FFEERN
O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)N[C@@H]1CCO[C@@H]1C1CC1	ZINC000328818244	511936721	/nfs/dbraw/zinc/93/67/21/511936721.db2.gz	HPCHXSAVHQJVQA-AYOQOUSVSA-N	0	0	358.438	2.980	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)NCc3csc(-c4ccccc4)n3)C[C@H]21	ZINC000328891716	511945939	/nfs/dbraw/zinc/94/59/39/511945939.db2.gz	SOLBDWWEUVWKLS-IAGOWNOFSA-N	0	0	372.494	2.629	10	30		FFEERN
CNC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C)C[C@@H]1c1cnn(C)c1	ZINC000328969006	511958759	/nfs/dbraw/zinc/95/87/59/511958759.db2.gz	NZTQTNUPMCZHHD-MKXGPGLRSA-N	0	0	366.465	2.661	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CCc3ccccc32)CC(=O)N1C1CC1	ZINC000329000611	511963979	/nfs/dbraw/zinc/96/39/79/511963979.db2.gz	HMHVARPODRZNMW-MBOZVWFJSA-N	0	0	364.449	2.911	10	30		FFEERN
Cc1cnc(-c2cccc(NC(=O)N3CC[C@@H]4OCCN(C)[C@@H]4C3)c2)o1	ZINC000329055805	511974028	/nfs/dbraw/zinc/97/40/28/511974028.db2.gz	XTCGSICAJNRNEX-SJORKVTESA-N	0	0	356.426	2.600	10	30		FFEERN
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCC1C[C@H](C)O[C@@H](C)C1	ZINC000329212462	512006448	/nfs/dbraw/zinc/00/64/48/512006448.db2.gz	ZXSMIRVKMACIEM-VGAPYMQISA-N	0	0	354.491	2.620	10	30		FFEERN
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)N1CCc2cncnc2C1	ZINC000329227202	512008640	/nfs/dbraw/zinc/00/86/40/512008640.db2.gz	HZAJFENBCGXOTJ-HNNXBMFYSA-N	0	0	357.845	2.681	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2C[C@@H]3CCC[C@@H]3C2)on1	ZINC000329248062	512014042	/nfs/dbraw/zinc/01/40/42/512014042.db2.gz	SFTNZXWSKZVUGB-FZKCQIBNSA-N	0	0	350.438	2.541	10	30		FFEERN
CC(C)n1ncc2c1C[C@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)CC2	ZINC000329289575	512022013	/nfs/dbraw/zinc/02/20/13/512022013.db2.gz	QCXHGPVWTUAYFT-UKRRQHHQSA-N	0	0	374.407	2.541	10	30		FFEERN
CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1	ZINC000329305964	512023617	/nfs/dbraw/zinc/02/36/17/512023617.db2.gz	XTMXEKHPHHXKRZ-WCXIOVBPSA-N	0	0	352.475	2.564	10	30		FFEERN
CN(C)[C@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1c(F)cccc1F	ZINC000329330284	512027574	/nfs/dbraw/zinc/02/75/74/512027574.db2.gz	YXSAYTQLLMOLEO-KCPJHIHWSA-N	0	0	366.412	2.532	10	30		FFEERN
CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)C1	ZINC000329616756	512077890	/nfs/dbraw/zinc/07/78/90/512077890.db2.gz	SMIKKHCXUBMZHQ-MHORFTMASA-N	0	0	371.485	2.582	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCc4ccccc43)C2)nn1	ZINC000329685324	512086640	/nfs/dbraw/zinc/08/66/40/512086640.db2.gz	UQTKBJQNGNMQMD-WMZOPIPTSA-N	0	0	351.454	2.945	10	30		FFEERN
C[C@H](NC(=O)N1CCc2cncnc2C1)c1nc(C2CCCCC2)no1	ZINC000329815103	512100626	/nfs/dbraw/zinc/10/06/26/512100626.db2.gz	UZORAJSOEHQHJY-LBPRGKRZSA-N	0	0	356.430	2.941	10	30		FFEERN
Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cnn1C	ZINC000329890941	512105836	/nfs/dbraw/zinc/10/58/36/512105836.db2.gz	HBQJOGZMDGVWFY-OAOQPFQOSA-N	0	0	365.499	2.817	10	30		FFEERN
CC[C@@]1(C)CN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CCO1	ZINC000373661593	512446622	/nfs/dbraw/zinc/44/66/22/512446622.db2.gz	YPEYLOXACWCHOP-PXNSSMCTSA-N	0	0	356.470	2.506	10	30		FFEERN
C[C@H]1CSCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000408204811	513019581	/nfs/dbraw/zinc/01/95/81/513019581.db2.gz	WJXDTQKORDORRB-DZGCQCFKSA-N	0	0	362.474	2.813	10	30		FFEERN
CCOC(=O)c1cc(C#N)cc(I)c1OC(F)F	ZINC000575386559	518208602	/nfs/dbraw/zinc/20/86/02/518208602.db2.gz	YTDHWOYSZIKCMH-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
COC(=O)Cc1ccc(C#N)c(I)c1C(F)(F)F	ZINC000575392978	518210274	/nfs/dbraw/zinc/21/02/74/518210274.db2.gz	SVCCNQKZQFNZIE-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
COC(=O)c1cc(C(F)(F)F)cc(C#N)c1I	ZINC000575393064	518210286	/nfs/dbraw/zinc/21/02/86/518210286.db2.gz	XXDYJEDXZIBGIX-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
N#Cc1cc(Br)c([N+](=O)[O-])c(I)c1	ZINC000575691348	518248482	/nfs/dbraw/zinc/24/84/82/518248482.db2.gz	BTCRBIVKRHUBDF-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
N#CCc1cc(OC(F)F)c([N+](=O)[O-])cc1I	ZINC000575667912	518245432	/nfs/dbraw/zinc/24/54/32/518245432.db2.gz	STAGCASGMMICQJ-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
CS(=O)(=O)ONC(=O)O[C@H](c1ccccc1)C(Cl)(Cl)Cl	ZINC000584610306	518414176	/nfs/dbraw/zinc/41/41/76/518414176.db2.gz	AQNDDXSSMDJOIJ-MRVPVSSYSA-N	0	0	362.618	2.715	10	30		FFEERN
C=CCN(CC(=O)Nc1ncc(C)s1)C(=O)COCc1ccccc1	ZINC000035746344	518758680	/nfs/dbraw/zinc/75/86/80/518758680.db2.gz	HONUVRMQBMEESP-UHFFFAOYSA-N	0	0	359.451	2.621	10	30		FFEERN
C=CCNC(=O)c1cccc(CN2CCN(c3cccc(OC)c3)CC2)c1	ZINC000034684825	518938548	/nfs/dbraw/zinc/93/85/48/518938548.db2.gz	LSVICLYXUIIWKK-UHFFFAOYSA-N	0	0	365.477	2.933	10	30		FFEERN
O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CC[C@H]2CCC[C@H]21	ZINC000330265902	568009634	/nfs/dbraw/zinc/00/96/34/568009634.db2.gz	ZWVQBOOJGYIERJ-IAQYHMDHSA-N	0	0	367.446	2.686	10	30		FFEERN
C=C(Br)CN1CCN(Cc2c(Cl)n(C)nc2CC)CC1	ZINC000155162412	728821568	/nfs/dbraw/zinc/82/15/68/728821568.db2.gz	VHCKFWOPYLOXQO-UHFFFAOYSA-N	0	0	361.715	2.662	10	30		FFEERN
C=CCOc1ccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1	ZINC000030620745	727905380	/nfs/dbraw/zinc/90/53/80/727905380.db2.gz	ZHIWPDWWHJACGM-KRWDZBQOSA-N	0	0	357.431	2.900	10	30		FFEERN
CCCS(=O)(=O)N1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	ZINC000080451386	728328220	/nfs/dbraw/zinc/32/82/20/728328220.db2.gz	AHZITPNBEGIUGS-OCCSQVGLSA-N	0	0	369.512	2.647	10	30		FFEERN
C#CCN(C(=O)c1ccc(OCCCCC)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000104306639	728501622	/nfs/dbraw/zinc/50/16/22/728501622.db2.gz	GFWPVNVQBZQVPN-KRWDZBQOSA-N	0	0	363.479	2.518	10	30		FFEERN
CCOCCOCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000105763033	728508636	/nfs/dbraw/zinc/50/86/36/728508636.db2.gz	NCUUXJTUBFJWIO-HNNXBMFYSA-N	0	0	355.419	2.911	10	30		FFEERN
CCCC(=O)NCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000105763001	728508750	/nfs/dbraw/zinc/50/87/50/728508750.db2.gz	IEPBMRFDTXLYJG-CQSZACIVSA-N	0	0	352.419	2.774	10	30		FFEERN
C#CCOCCC(=O)O[C@@H](C)c1ccc(I)cc1	ZINC000166130634	728975326	/nfs/dbraw/zinc/97/53/26/728975326.db2.gz	WPCBMSHBJGMDFM-NSHDSACASA-N	0	0	358.175	2.935	10	30		FFEERN
C=CCn1c(C)nn(CN2CCO[C@@H](c3nc(C)cs3)C2)c1=S	ZINC000195295379	729534682	/nfs/dbraw/zinc/53/46/82/729534682.db2.gz	JNZSIPQGEICHNR-CYBMUJFWSA-N	0	0	351.501	2.704	10	30		FFEERN
CC(C)[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000255032161	729629848	/nfs/dbraw/zinc/62/98/48/729629848.db2.gz	VBVOJSRAGXFUEN-SFKFPXOQSA-N	0	0	366.487	2.665	10	30		FFEERN
O=C(NC1CCC(C(F)(F)F)CC1)N1CCO[C@@]2(CCCOC2)C1	ZINC000329178938	729796619	/nfs/dbraw/zinc/79/66/19/729796619.db2.gz	CVSHBZOHFSTMEP-PIMMBPRGSA-N	0	0	350.381	2.903	10	30		FFEERN
C[C@H](NC(=O)NC[C@H]1CCCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2	ZINC000329176240	729796654	/nfs/dbraw/zinc/79/66/54/729796654.db2.gz	BUPJMCFYLUISNU-PBQPPQDWSA-N	0	0	368.543	2.920	10	30		FFEERN
O=C(NC1CC(c2cccc(Cl)c2)C1)N[C@H]1CCCS(=O)(=O)C1	ZINC000329827085	729799110	/nfs/dbraw/zinc/79/91/10/729799110.db2.gz	IQRHUGBGHPWUDW-BLZCZZARSA-N	0	0	356.875	2.667	10	30		FFEERN
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@H](C)c1csc(C)n1)CC2	ZINC000330163306	729800137	/nfs/dbraw/zinc/80/01/37/729800137.db2.gz	VCWYKARFZPLTMV-BYCMXARLSA-N	0	0	353.488	2.678	10	30		FFEERN
Cc1nc(C)n(C2CN(C(=O)[C@H](NC(=O)c3cccc(C)c3)C(C)C)C2)n1	ZINC000328797138	963888210	/nfs/dbraw/zinc/88/82/10/963888210.db2.gz	VMVWQYJTVIHNFV-GOSISDBHSA-N	0	0	369.469	2.616	10	30		FFEERN
C[C@@H]1Oc2ccc([NH+]=C([O-])N3CCn4c(nnc4C4CC4)C3)cc2NC1=O	ZINC000329398711	967676138	/nfs/dbraw/zinc/67/61/38/967676138.db2.gz	YEXMDDROVVUJMI-JTQLQIEISA-N	0	0	368.397	2.586	10	30		FFEERN
N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1	ZINC000329658699	967922208	/nfs/dbraw/zinc/92/22/08/967922208.db2.gz	NLCRBIFTQXMZGO-MAUKXSAKSA-N	0	0	374.448	2.835	10	30		FFEERN
O=C(NCc1ccc(N2CCCCCC2)nc1)N1CCn2ccnc2C1	ZINC000329805335	968072600	/nfs/dbraw/zinc/07/26/00/968072600.db2.gz	ANRGGRDLVNDBJB-UHFFFAOYSA-N	0	0	354.458	2.588	10	30		FFEERN
COc1ccc(OC)c(C=NOCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1	ZINC000588600383	968073179	/nfs/dbraw/zinc/07/31/79/968073179.db2.gz	RXXXIDPHYRQTKB-CYBMUJFWSA-N	0	0	374.359	2.855	10	30		FFEERN
CCC1CCC(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1	ZINC000329937625	969130586	/nfs/dbraw/zinc/13/05/86/969130586.db2.gz	LQFCTXLQNOAVFS-XGHPGWEVSA-N	0	0	365.497	2.805	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cccc(CN2CCOCC2)c1	ZINC000330087592	970351716	/nfs/dbraw/zinc/35/17/16/970351716.db2.gz	TYWPTHZMEDGTJW-IEBWSBKVSA-N	0	0	370.453	2.618	10	30		FFEERN
N#C[C@@H]1CCC[C@@H]1NCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1	ZINC000333260096	978087335	/nfs/dbraw/zinc/08/73/35/978087335.db2.gz	CIVWJJOMYGYLKW-RDJZCZTQSA-N	0	0	369.465	2.625	10	30		FFEERN
C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]21O[C@@H]1CO	ZINC000261493297	210006657	/nfs/dbraw/zinc/00/66/57/210006657.db2.gz	OVQVCDLENXCQBC-JGOGXVGASA-N	0	0	350.499	2.635	10	30		FFEERN
O=CC1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1	ZINC000104427760	209261056	/nfs/dbraw/zinc/26/10/56/209261056.db2.gz	XEAWBKXJRAAYCQ-UHFFFAOYSA-N	0	0	366.664	2.702	10	30		FFEERN
CC(C)N(C)Cc1ncn2c1CN(C(=O)c1cccc(C#N)c1)CCC2	ZINC000096259221	209145394	/nfs/dbraw/zinc/14/53/94/209145394.db2.gz	LVUUWWPIIJLLIY-UHFFFAOYSA-N	0	0	351.454	2.641	10	30		FFEERN
Cc1oc(NC(=O)[C@H](C)N2CCC(Cn3cccn3)CC2)c(C#N)c1C	ZINC000106183730	250251842	/nfs/dbraw/zinc/25/18/42/250251842.db2.gz	OEFQOLOWYFEMPX-AWEZNQCLSA-N	0	0	355.442	2.704	10	30		FFEERN
COc1ccc(-n2c3nnc(SCC#N)n3c3ccccc3c2=O)cc1	ZINC000004269290	207009711	/nfs/dbraw/zinc/00/97/11/207009711.db2.gz	HULSKLSKDBPPPY-UHFFFAOYSA-N	0	0	363.402	2.658	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000252352956	251308471	/nfs/dbraw/zinc/30/84/71/251308471.db2.gz	OHUKFJJORVISQE-NVXWUHKLSA-N	0	0	351.454	2.981	10	30		FFEERN
Cc1sc(C2=C(N)N(C[C@@H]3CCCO3)CC2=O)nc1-c1ccccc1	ZINC000034770116	208109943	/nfs/dbraw/zinc/10/99/43/208109943.db2.gz	VIKKVRKDZSVZLZ-AWEZNQCLSA-N	0	0	355.463	2.810	10	30		FFEERN
C[C@@H]1CN([C@@H](CNc2nccnc2C#N)c2c(F)cccc2F)C[C@H](C)O1	ZINC000301269946	258039103	/nfs/dbraw/zinc/03/91/03/258039103.db2.gz	HIWRPRNIIXNRJU-AHIWAGSCSA-N	0	0	373.407	2.889	10	30		FFEERN
CC(=O)c1ccc(C#N)c(NCCNS(=O)(=O)c2cc(C)ccc2C)c1	ZINC000302115442	258088666	/nfs/dbraw/zinc/08/86/66/258088666.db2.gz	RGDSLUYUZTZBBZ-UHFFFAOYSA-N	0	0	371.462	2.768	10	30		FFEERN
CN(C)c1ncccc1O[C@H]1CCN(c2nc3c(cc2C#N)CCCC3)C1	ZINC000328719883	258118919	/nfs/dbraw/zinc/11/89/19/258118919.db2.gz	VUNKDUPGXVBSGF-KRWDZBQOSA-N	0	0	363.465	2.951	10	30		FFEERN
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H]1C[C@H]1c1ccccc1	ZINC000328891714	258123336	/nfs/dbraw/zinc/12/33/36/258123336.db2.gz	SOHQJPCEOBYRHA-SZMVWBNQSA-N	0	0	361.449	2.579	10	30		FFEERN
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000045279090	506942974	/nfs/dbraw/zinc/94/29/74/506942974.db2.gz	XJSLJKGZDRVFLJ-QGZVFWFLSA-N	0	0	369.446	2.618	10	30		FFEERN
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C)N1CCOCC1	ZINC000046264720	507107506	/nfs/dbraw/zinc/10/75/06/507107506.db2.gz	WUKDKMFTKLPYDL-ZDUSSCGKSA-N	0	0	357.907	2.820	10	30		FFEERN
C=CCC[C@H](CN1CCN(C(C)=O)CC1)Oc1cnc2ccccc2n1	ZINC000072425480	507788483	/nfs/dbraw/zinc/78/84/83/507788483.db2.gz	WBWAOTLJGPJXIT-QGZVFWFLSA-N	0	0	354.454	2.508	10	30		FFEERN
CCc1nc(CNC(=O)N(CCOC)Cc2ccc(C#N)cc2)cs1	ZINC000107753637	507865800	/nfs/dbraw/zinc/86/58/00/507865800.db2.gz	JMNUBWFYZLHDFL-UHFFFAOYSA-N	0	0	358.467	2.935	10	30		FFEERN
N#Cc1c(Cl)nsc1N1CCC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000078518593	507879229	/nfs/dbraw/zinc/87/92/29/507879229.db2.gz	AUUYOQVMWDVWIB-SSDOTTSWSA-N	0	0	352.769	2.563	10	30		FFEERN
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1C(=O)N(C)C	ZINC000108357442	507889190	/nfs/dbraw/zinc/88/91/90/507889190.db2.gz	XOXVBODOKSSOHG-GOEBONIOSA-N	0	0	374.510	2.572	10	30		FFEERN
N#CCSc1cccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)c1	ZINC000079524980	507971020	/nfs/dbraw/zinc/97/10/20/507971020.db2.gz	ICGFHQKORZONNY-QGZVFWFLSA-N	0	0	359.495	2.629	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)[C@H](NC(=O)c1ccccn1)C(C)C	ZINC000110426408	508027917	/nfs/dbraw/zinc/02/79/17/508027917.db2.gz	MJUOTPLIYNANQW-LJQANCHMSA-N	0	0	367.449	2.717	10	30		FFEERN
COc1cccc(C(=O)NC2CCN(C(=O)c3cccc(C#N)c3)CC2)c1	ZINC000075632326	508123762	/nfs/dbraw/zinc/12/37/62/508123762.db2.gz	RQWSSIYTOYLYGD-UHFFFAOYSA-N	0	0	363.417	2.601	10	30		FFEERN
C[C@H](CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)N1CCOCC1	ZINC000076097449	508158478	/nfs/dbraw/zinc/15/84/78/508158478.db2.gz	IXACKHUDAHQECK-GOSISDBHSA-N	0	0	363.461	2.929	10	30		FFEERN
CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCCn3ccnc32)ccc1OC	ZINC000081729192	508207034	/nfs/dbraw/zinc/20/70/34/508207034.db2.gz	HGAXOQGQDRGGPY-HZPDHXFCSA-N	0	0	368.437	2.766	10	30		FFEERN
CCCC(=O)N[C@@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1	ZINC000101564927	508247440	/nfs/dbraw/zinc/24/74/40/508247440.db2.gz	HRQLHODCOFEAJB-OAHLLOKOSA-N	0	0	374.510	2.621	10	30		FFEERN
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N(CCC#N)Cc2cccnc2)C1	ZINC000076964041	508268381	/nfs/dbraw/zinc/26/83/81/508268381.db2.gz	IOGDSPHMZCNLAM-INIZCTEOSA-N	0	0	358.442	2.581	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCC[C@H](c3nncn3CC)C2)c1C	ZINC000103477046	508313889	/nfs/dbraw/zinc/31/38/89/508313889.db2.gz	OERADVCSQRFEKS-KRWDZBQOSA-N	0	0	355.486	2.965	10	30		FFEERN
CC(C)c1ccc([C@H](C)NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000086432441	508326561	/nfs/dbraw/zinc/32/65/61/508326561.db2.gz	DTIONNJDGKZKMZ-AWEZNQCLSA-N	0	0	353.426	2.736	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCCn2nc(CC)nc21	ZINC000088390901	508368738	/nfs/dbraw/zinc/36/87/38/508368738.db2.gz	VRYROSFFXJGIIF-ZDUSSCGKSA-N	0	0	357.389	2.648	10	30		FFEERN
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCCn2nc(COC)nc21	ZINC000122519518	508547963	/nfs/dbraw/zinc/54/79/63/508547963.db2.gz	WLGZLKNZLNUDKP-INIZCTEOSA-N	0	0	355.442	2.657	10	30		FFEERN
Cc1ccc(N2CCC(NC(=O)c3ccccc3OCC#N)CC2)nc1	ZINC000157856817	508623156	/nfs/dbraw/zinc/62/31/56/508623156.db2.gz	ITUPKISUKJZRAM-UHFFFAOYSA-N	0	0	350.422	2.691	10	30		FFEERN
C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1Br	ZINC000123191830	508650273	/nfs/dbraw/zinc/65/02/73/508650273.db2.gz	GEFHHJOYLSCCQC-MEDUHNTESA-N	0	0	350.260	2.908	10	30		FFEERN
COCc1nc2n(n1)CCC[C@@H]2NCc1cccc(OCCCC#N)c1	ZINC000153977172	508690610	/nfs/dbraw/zinc/69/06/10/508690610.db2.gz	HKINNOLJCIOTGX-KRWDZBQOSA-N	0	0	355.442	2.732	10	30		FFEERN
Cn1nccc1C1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000154376822	508771138	/nfs/dbraw/zinc/77/11/38/508771138.db2.gz	OXPKLRRJJOYOPC-UHFFFAOYSA-N	0	0	352.438	2.855	10	30		FFEERN
COc1ccc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3)C2)cc1	ZINC000159446951	508843223	/nfs/dbraw/zinc/84/32/23/508843223.db2.gz	IFLKHUFMMUFJLW-QGZVFWFLSA-N	0	0	363.417	2.716	10	30		FFEERN
N#Cc1ccccc1S(=O)(=O)NC1(c2noc(C3CC3)n2)CCCC1	ZINC000124639439	508863357	/nfs/dbraw/zinc/86/33/57/508863357.db2.gz	JYMMLHMXVMQDCV-UHFFFAOYSA-N	0	0	358.423	2.566	10	30		FFEERN
CC(C)c1nc(C2(NS(=O)(=O)c3ccccc3C#N)CCCC2)no1	ZINC000124653564	508864722	/nfs/dbraw/zinc/86/47/22/508864722.db2.gz	PLGKDIMFLOTPGY-UHFFFAOYSA-N	0	0	360.439	2.812	10	30		FFEERN
C=CCc1cc(C[NH+]2CCC(Nc3cccnn3)CC2)cc(OC)c1O	ZINC000120292468	508965504	/nfs/dbraw/zinc/96/55/04/508965504.db2.gz	QLAUMESIHBVJNG-UHFFFAOYSA-N	0	0	354.454	2.996	10	30		FFEERN
C=C(C)COCCNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000132653520	509057269	/nfs/dbraw/zinc/05/72/69/509057269.db2.gz	FSGRGJSEADTILS-RQJZOYDLSA-N	0	0	374.525	2.903	10	30		FFEERN
N#Cc1cccc(NC(=O)CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1	ZINC000120981896	509101783	/nfs/dbraw/zinc/10/17/83/509101783.db2.gz	XTKYFZDRAKXPEJ-CRAIPNDOSA-N	0	0	357.360	2.583	10	30		FFEERN
N#C[C@H](NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	ZINC000161914527	509163988	/nfs/dbraw/zinc/16/39/88/509163988.db2.gz	WWRXIFVNLDFVCE-DGSGAQMOSA-N	0	0	355.482	2.612	10	30		FFEERN
CC(=O)N1CC[C@H](NC(=O)c2cccc(C#N)c2)c2ccc(F)cc2C1	ZINC000185498844	509207070	/nfs/dbraw/zinc/20/70/70/509207070.db2.gz	OGBLZSRHJIWHHB-IBGZPJMESA-N	0	0	351.381	2.921	10	30		FFEERN
CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCCN1C(=O)c1cccnc1	ZINC000172753766	509214834	/nfs/dbraw/zinc/21/48/34/509214834.db2.gz	MDTUAEVFULCFLQ-LJQANCHMSA-N	0	0	362.433	2.607	10	30		FFEERN
N#CCC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1	ZINC000185570816	509244038	/nfs/dbraw/zinc/24/40/38/509244038.db2.gz	HUVQEJPRKFGRQV-UHFFFAOYSA-N	0	0	352.135	2.533	10	30		FFEERN
Cn1ccnc1CC1CCN(C(=O)CSc2ccc(C#N)cc2)CC1	ZINC000162597291	509261377	/nfs/dbraw/zinc/26/13/77/509261377.db2.gz	KJLUUUDBEOIGPV-UHFFFAOYSA-N	0	0	354.479	2.865	10	30		FFEERN
C#Cc1cccc(NC(=O)C(=O)N2CCC(OCC3CCCC3)CC2)c1	ZINC000176046322	509294051	/nfs/dbraw/zinc/29/40/51/509294051.db2.gz	LVROUQHFWPJSNY-UHFFFAOYSA-N	0	0	354.450	2.804	10	30		FFEERN
COc1ccccc1O[C@@H]1O[C@@H]1COC[C@H]1O[C@H]1Oc1ccccc1OC	ZINC000221251234	509306240	/nfs/dbraw/zinc/30/62/40/509306240.db2.gz	CKOJVJMMOLAYOR-UAFMIMERSA-N	0	0	374.389	2.628	10	30		FFEERN
CN1C(=O)CC[C@@H](C(=O)Nc2ccc(C#N)c(C#N)c2)[C@H]1c1ccccc1	ZINC000173097555	509390588	/nfs/dbraw/zinc/39/05/88/509390588.db2.gz	WABYIVGRANJMTN-UYAOXDASSA-N	0	0	358.401	2.978	10	30		FFEERN
C=CCc1cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cc(OC)c1OC	ZINC000179351824	509394155	/nfs/dbraw/zinc/39/41/55/509394155.db2.gz	UUUVUEINLXAQMK-HNNXBMFYSA-N	0	0	356.426	2.918	10	30		FFEERN
C=CCOCCCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000248636533	509405654	/nfs/dbraw/zinc/40/56/54/509405654.db2.gz	YDZAELUDRFEWBJ-ARFHVFGLSA-N	0	0	352.475	2.731	10	30		FFEERN
C[C@H](Cn1cc(Br)cn1)Nc1cnn(-c2ncccc2C#N)c1	ZINC000186009675	509478172	/nfs/dbraw/zinc/47/81/72/509478172.db2.gz	SYNSEOOXNUZPKQ-LLVKDONJSA-N	0	0	372.230	2.599	10	30		FFEERN
CCn1cnnc1C1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000164359026	509493754	/nfs/dbraw/zinc/49/37/54/509493754.db2.gz	DRXXNVRHOWOACI-UHFFFAOYSA-N	0	0	367.453	2.733	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)NCCCCC#N)C[C@H]12	ZINC000183316348	509712158	/nfs/dbraw/zinc/71/21/58/509712158.db2.gz	NFTVLJSRPAGCPZ-QLFBSQMISA-N	0	0	350.463	2.625	10	30		FFEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ncccc1OCCCC#N	ZINC000186445105	509712970	/nfs/dbraw/zinc/71/29/70/509712970.db2.gz	ICUWHBXMQLBYMU-ZDUSSCGKSA-N	0	0	369.429	2.575	10	30		FFEERN
Cc1csc([C@H]2CN([C@H](C)C(=O)Nc3cccc(C#N)c3)CCO2)n1	ZINC000249894545	509778771	/nfs/dbraw/zinc/77/87/71/509778771.db2.gz	RIQOWSCKTNIKGI-CZUORRHYSA-N	0	0	356.451	2.724	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](c2nncn2CC)C1	ZINC000180690781	510057527	/nfs/dbraw/zinc/05/75/27/510057527.db2.gz	CPABUVQWPXGXRA-CQSZACIVSA-N	0	0	371.416	2.861	10	30		FFEERN
Cc1nc(C[C@H]2CCCN([C@@H](C)C(=O)Nc3ccccc3C#N)C2)no1	ZINC000171405619	510137135	/nfs/dbraw/zinc/13/71/35/510137135.db2.gz	HYACRJBLIRYGLG-DZGCQCFKSA-N	0	0	353.426	2.531	10	30		FFEERN
C[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1nccs1	ZINC000171563126	510227795	/nfs/dbraw/zinc/22/77/95/510227795.db2.gz	BLSHHHBBPYTODB-CQSZACIVSA-N	0	0	355.467	2.998	10	30		FFEERN
N#Cc1ccc(Cl)cc1NC(=O)CN1CCO[C@@H](c2nccs2)C1	ZINC000171667827	510296147	/nfs/dbraw/zinc/29/61/47/510296147.db2.gz	TXHAUMAYOATCFN-CQSZACIVSA-N	0	0	362.842	2.680	10	30		FFEERN
CCCCN1CCOC[C@@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000184475519	510343539	/nfs/dbraw/zinc/34/35/39/510343539.db2.gz	VVNROCWUFLSAFM-QGZVFWFLSA-N	0	0	368.399	2.674	10	30		FFEERN
CN(c1cccnn1)C1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000181513232	510448717	/nfs/dbraw/zinc/44/87/17/510448717.db2.gz	MUAACFSKGHZKQB-UHFFFAOYSA-N	0	0	361.449	2.773	10	30		FFEERN
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21	ZINC000187874824	510481070	/nfs/dbraw/zinc/48/10/70/510481070.db2.gz	MYMZVKGYYSWTNC-MRXNPFEDSA-N	0	0	367.453	2.720	10	30		FFEERN
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(Nc2nccs2)CC1	ZINC000188087962	510586827	/nfs/dbraw/zinc/58/68/27/510586827.db2.gz	JFZZJGNCMAHPDD-UHFFFAOYSA-N	0	0	362.480	2.588	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1c1ccco1	ZINC000172198454	510595422	/nfs/dbraw/zinc/59/54/22/510595422.db2.gz	HJCRNKNKCWJKMS-HNNXBMFYSA-N	0	0	353.378	2.852	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCC(Nc2nccc(OC)n2)CC1	ZINC000191375331	510629201	/nfs/dbraw/zinc/62/92/01/510629201.db2.gz	HWQROYVWNSPOSO-UHFFFAOYSA-N	0	0	368.437	2.767	10	30		FFEERN
N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c1	ZINC000185012737	510635394	/nfs/dbraw/zinc/63/53/94/510635394.db2.gz	RRJZFUWXZUIKNK-CABCVRRESA-N	0	0	364.858	2.870	10	30		FFEERN
C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1	ZINC000188286753	510690524	/nfs/dbraw/zinc/69/05/24/510690524.db2.gz	SPYKXNHWHVHBSG-LPHOPBHVSA-N	0	0	366.527	2.775	10	30		FFEERN
CCn1cc([C@@H]2CN(C(=O)CSCc3ccc(C#N)cc3)CCO2)cn1	ZINC000191716912	510799819	/nfs/dbraw/zinc/79/98/19/510799819.db2.gz	SZRYABVTBPUFSE-SFHVURJKSA-N	0	0	370.478	2.608	10	30		FFEERN
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000172671570	510841021	/nfs/dbraw/zinc/84/10/21/510841021.db2.gz	ILXXUCMDWHJOAG-ZDUSSCGKSA-N	0	0	358.419	2.677	10	30		FFEERN
COc1cc(/C=C/C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)ccc1OCC#N	ZINC000247314328	510856584	/nfs/dbraw/zinc/85/65/84/510856584.db2.gz	WGWKZNSPUKUZRC-LKAMVHJGSA-N	0	0	356.422	2.540	10	30		FFEERN
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1C[C@H]1C1CCCCC1	ZINC000247485063	510862639	/nfs/dbraw/zinc/86/26/39/510862639.db2.gz	WLEGUIJCCJZXMX-HYVNUMGLSA-N	0	0	353.470	2.602	10	30		FFEERN
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000247580732	510866398	/nfs/dbraw/zinc/86/63/98/510866398.db2.gz	YKEZKXIAPIJEDH-TZMCWYRMSA-N	0	0	357.845	2.762	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCO[C@@]3(CCOC3)C2)cc1	ZINC000329912064	510875490	/nfs/dbraw/zinc/87/54/90/510875490.db2.gz	WSVLEPLQPJVZKA-BJLQDIEVSA-N	0	0	360.454	2.620	10	30		FFEERN
COc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)cc1-n1nnnc1C1CC1	ZINC000329943442	510882907	/nfs/dbraw/zinc/88/29/07/510882907.db2.gz	WDFJEJZKDVBDBZ-JSGCOSHPSA-N	0	0	354.414	2.578	10	30		FFEERN
CC(C)NC(=O)NC1(C(=O)N2CC[C@@H](Oc3ccccn3)C2)CCCCC1	ZINC000329957375	510887702	/nfs/dbraw/zinc/88/77/02/510887702.db2.gz	QDVXMRAXLDHSFT-MRXNPFEDSA-N	0	0	374.485	2.676	10	30		FFEERN
CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCN(C(C)=O)C2)C12CCCC2	ZINC000330026331	510902737	/nfs/dbraw/zinc/90/27/37/510902737.db2.gz	LJEQFBZMMUNXHM-OKZBNKHCSA-N	0	0	365.518	2.829	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cn1	ZINC000330338565	510968482	/nfs/dbraw/zinc/96/84/82/510968482.db2.gz	VOBGKCBRNBDZSJ-HPFXQQBRSA-N	0	0	365.499	2.992	10	30		FFEERN
CCc1cc(=O)n2nc(N3CCC[C@H]3[C@@H](C#N)c3ccccc3)sc2n1	ZINC000301449808	511697047	/nfs/dbraw/zinc/69/70/47/511697047.db2.gz	PMQHNCUUODQOLG-HOTGVXAUSA-N	0	0	365.462	2.990	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@@H](c3cccc(O)c3)C1)CCC2	ZINC000328645886	511906014	/nfs/dbraw/zinc/90/60/14/511906014.db2.gz	GQMHXOYAIBOCCA-FUHWJXTLSA-N	0	0	370.453	2.762	10	30		FFEERN
C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCn2ccnc2C1	ZINC000328646327	511906659	/nfs/dbraw/zinc/90/66/59/511906659.db2.gz	GXNLECJNVMLHLX-CQSZACIVSA-N	0	0	353.426	2.502	10	30		FFEERN
C[C@]1(CNC(=O)N[C@@H]2CCN(C(=O)Cc3ccccc3)C2)CCCS1	ZINC000328845799	511940516	/nfs/dbraw/zinc/94/05/16/511940516.db2.gz	AHNACPFRPCLKCJ-VQIMIIECSA-N	0	0	361.511	2.619	10	30		FFEERN
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@@]1(O)CCSC1	ZINC000328920420	511950325	/nfs/dbraw/zinc/95/03/25/511950325.db2.gz	BARZGJBNVIKQDN-UNEWFSDZSA-N	0	0	353.488	2.756	10	30		FFEERN
C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCS[C@@H](C)C1	ZINC000329004377	511966101	/nfs/dbraw/zinc/96/61/01/511966101.db2.gz	MCOAKWPPEYLKFP-RYUDHWBXSA-N	0	0	365.455	2.786	10	30		FFEERN
CCC[C@@H]1C[C@@H](C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CCO1	ZINC000329025144	511969553	/nfs/dbraw/zinc/96/95/53/511969553.db2.gz	NPQIUFDCOCLOSR-GKDNMFGBSA-N	0	0	374.485	2.776	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)C1	ZINC000329052317	511974486	/nfs/dbraw/zinc/97/44/86/511974486.db2.gz	LFCSFBDUWSDZDA-FJIDUMEYSA-N	0	0	363.502	2.581	10	30		FFEERN
C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000329061489	511975438	/nfs/dbraw/zinc/97/54/38/511975438.db2.gz	NQEZNUPJPMCRPP-UNFPFYSMSA-N	0	0	374.485	2.776	10	30		FFEERN
CNC(=O)[C@H]1CN(C(=O)NC2CCC(F)(F)CC2)C[C@@H]1c1cnn(C)c1	ZINC000329079746	511979404	/nfs/dbraw/zinc/97/94/04/511979404.db2.gz	RBYIVWHISWVQRA-KGLIPLIRSA-N	0	0	369.416	2.514	10	30		FFEERN
CC(C)c1nnc2n1CCN(C(=O)Nc1cc(Br)ccn1)C2	ZINC000329144155	511992426	/nfs/dbraw/zinc/99/24/26/511992426.db2.gz	WCIJSLYCOBVTES-UHFFFAOYSA-N	0	0	365.235	2.620	10	30		FFEERN
Cc1noc([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4nc(C(C)(C)C)cn4C3)C2)n1	ZINC000329146919	511993419	/nfs/dbraw/zinc/99/34/19/511993419.db2.gz	XLANXSBCDSSBPV-KGLIPLIRSA-N	0	0	372.473	2.590	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CCS[C@H](C)[C@@H]2C)on1	ZINC000329247406	512012806	/nfs/dbraw/zinc/01/28/06/512012806.db2.gz	RUAUNCGIZPZORH-XGUBFFRZSA-N	0	0	370.494	2.635	10	30		FFEERN
Cn1cc2c(n1)CCC[C@@H]2C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1	ZINC000329261581	512016622	/nfs/dbraw/zinc/01/66/22/512016622.db2.gz	FVPHZAKTAHDDLJ-WWGRRREGSA-N	0	0	371.441	2.977	10	30		FFEERN
CC(C)[C@@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000329354721	512031380	/nfs/dbraw/zinc/03/13/80/512031380.db2.gz	VMJUIQVZUUOFJZ-JTDSTZFVSA-N	0	0	373.501	2.649	10	30		FFEERN
CCC1CCC(N(C)C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1	ZINC000329352008	512031703	/nfs/dbraw/zinc/03/17/03/512031703.db2.gz	UIWSVOSYDTUOEM-PPPKJHQXSA-N	0	0	361.490	2.507	10	30		FFEERN
CCn1cc(C2CCN(C(=O)NC[C@H]3COc4ccccc4O3)CC2)cn1	ZINC000329459424	512051684	/nfs/dbraw/zinc/05/16/84/512051684.db2.gz	RLXLYXYBDSLPLV-KRWDZBQOSA-N	0	0	370.453	2.836	10	30		FFEERN
C[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC(C)(C)C1	ZINC000329490499	512057161	/nfs/dbraw/zinc/05/71/61/512057161.db2.gz	SMIPUDQMAXNVGA-DDUZABMNSA-N	0	0	373.501	2.507	10	30		FFEERN
COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCO1)CCN2C(=O)[C@@H]1CCCO1	ZINC000329503408	512059463	/nfs/dbraw/zinc/05/94/63/512059463.db2.gz	IDSGBBCIRKJPEX-SZMVWBNQSA-N	0	0	374.437	2.788	10	30		FFEERN
C[C@@H]1CC(CNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C[C@@H](C)O1	ZINC000329637972	512079940	/nfs/dbraw/zinc/07/99/40/512079940.db2.gz	AKLQEEISLZHYED-HUUCEWRRSA-N	0	0	372.531	2.537	10	30		FFEERN
C[C@H]1c2cccn2CCN1C([O-])=[NH+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1	ZINC000329718024	512089896	/nfs/dbraw/zinc/08/98/96/512089896.db2.gz	YDPGEZCQOOQFOC-BJJXKVORSA-N	0	0	371.441	2.959	10	30		FFEERN
Cc1nc([C@@H]2CCCN(C(=O)N[C@H]3CCN(C(C)C)C3=O)C2)sc1C	ZINC000329741952	512092903	/nfs/dbraw/zinc/09/29/03/512092903.db2.gz	PAQHKAMZYLJHRR-CABCVRRESA-N	0	0	364.515	2.863	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)NCC2C[C@H](C)O[C@@H](C)C2)C12CCOCC2	ZINC000329814888	512100734	/nfs/dbraw/zinc/10/07/34/512100734.db2.gz	DWAPTJUUBQZVNV-NXNVCVFFSA-N	0	0	354.491	2.668	10	30		FFEERN
Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cnn1C	ZINC000329899084	512106103	/nfs/dbraw/zinc/10/61/03/512106103.db2.gz	MRWXFWGALQTMEJ-ALKREAHSSA-N	0	0	368.437	2.568	10	30		FFEERN
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)CC1(C#N)CCCCC1	ZINC000408228934	513027079	/nfs/dbraw/zinc/02/70/79/513027079.db2.gz	KXCODSOIHIDKMF-PMPSAXMXSA-N	0	0	368.499	2.596	10	30		FFEERN
COC[C@@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC(C)(C)O1	ZINC000417144771	514191602	/nfs/dbraw/zinc/19/16/02/514191602.db2.gz	WEQRZOZEPYZVBB-HNNXBMFYSA-N	0	0	360.458	2.590	10	30		FFEERN
COC(=O)Cc1ccc(C(F)(F)F)c(I)c1C#N	ZINC000575392993	518210342	/nfs/dbraw/zinc/21/03/42/518210342.db2.gz	UEWWVKMFSFKAGG-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
N#Cc1ccc(Oc2ccc3nc(C(=O)N[C@H]4CCOC4=O)ccc3c2)cc1	ZINC000584629801	518416800	/nfs/dbraw/zinc/41/68/00/518416800.db2.gz	OIHLAZOYTBWLPU-IBGZPJMESA-N	0	0	373.368	2.944	10	30		FFEERN
Cc1[nH]c(=O)ccc1C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000328626370	527007039	/nfs/dbraw/zinc/00/70/39/527007039.db2.gz	LQJCODXNHYBQBP-JTQLQIEISA-N	0	0	354.332	2.878	10	30		FFEERN
C#CCN(C(=O)c1sc2ccc(F)cc2c1C)[C@@H]1CCS(=O)(=O)C1	ZINC000104311406	728501636	/nfs/dbraw/zinc/50/16/36/728501636.db2.gz	SKFNOYYWAVQHDR-CYBMUJFWSA-N	0	0	365.451	2.611	10	30		FFEERN
COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	ZINC000125097731	728678425	/nfs/dbraw/zinc/67/84/25/728678425.db2.gz	XSYUZXSUNZOOTL-PWSUYJOCSA-N	0	0	373.236	2.622	10	30		FFEERN
CC[C@H](C#N)NS(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000126441628	728702427	/nfs/dbraw/zinc/70/24/27/728702427.db2.gz	MGWCCECEWOOCFE-SSDOTTSWSA-N	0	0	355.616	2.822	10	30		FFEERN
C#CCSCCNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C	ZINC000130473094	728718324	/nfs/dbraw/zinc/71/83/24/728718324.db2.gz	DMXVCFHLHSJXGD-OAHLLOKOSA-N	0	0	352.887	2.577	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)CSCC(=O)N1CCCCC1)CCC2	ZINC000328694861	729794761	/nfs/dbraw/zinc/79/47/61/729794761.db2.gz	CYTRPABLMWTBRL-HNNXBMFYSA-N	0	0	364.515	2.771	10	30		FFEERN
C[C@H](NC(=O)N1CCCS(=O)(=O)CC1)C12CC3CC(CC(C3)C1)C2	ZINC000329152218	729796633	/nfs/dbraw/zinc/79/66/33/729796633.db2.gz	ANQJLIIIAZBNRM-IILDEKEXSA-N	0	0	354.516	2.626	10	30		FFEERN
O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CCn2ccnc2C1	ZINC000329864944	729799303	/nfs/dbraw/zinc/79/93/03/729799303.db2.gz	ZZECDDOXCZTJOD-UHFFFAOYSA-N	0	0	362.817	2.628	10	30		FFEERN
Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)CC2	ZINC000332904090	729805117	/nfs/dbraw/zinc/80/51/17/729805117.db2.gz	ABSSGFBUJNTYNO-WZRBSPASSA-N	0	0	352.360	2.717	10	30		FFEERN
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)[C@H]1Cc2ccccc2S1	ZINC000328956346	965128349	/nfs/dbraw/zinc/12/83/49/965128349.db2.gz	ZHFFXWPAQPOZCR-GOSISDBHSA-N	0	0	373.522	2.604	10	30		FFEERN
C[C@H]1Oc2ccc([NH+]=C([O-])N3CCn4c(nnc4C4CC4)C3)cc2NC1=O	ZINC000329398712	967675922	/nfs/dbraw/zinc/67/59/22/967675922.db2.gz	YEXMDDROVVUJMI-SNVBAGLBSA-N	0	0	368.397	2.586	10	30		FFEERN
Cc1nc2ccc(NC(=O)N3CCN(Cc4ccccc4)C[C@@H]3C)cn2n1	ZINC000329463051	967731509	/nfs/dbraw/zinc/73/15/09/967731509.db2.gz	TZAVNNQUIOFPDV-HNNXBMFYSA-N	0	0	364.453	2.790	10	30		FFEERN
COC1CCC(N(C)C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)CC1	ZINC000329617815	967877270	/nfs/dbraw/zinc/87/72/70/967877270.db2.gz	STFWEDPRPIHMLZ-GTPINHCMSA-N	0	0	361.490	2.557	10	30		FFEERN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000102244998	1003645013	/nfs/dbraw/zinc/64/50/13/1003645013.db2.gz	HFLBQKKAQLHSLX-UHFFFAOYSA-N	0	0	373.369	2.649	10	30		FFEERN
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1COc2ccccc2O1	ZINC000109355529	1005816847	/nfs/dbraw/zinc/81/68/47/1005816847.db2.gz	WSLOTQJAYSHPDM-KRWDZBQOSA-N	0	0	354.381	2.811	10	30		FFEERN
C#CCNC(=O)[C@H](C)Nc1cc(Br)ccc1Br	ZINC000042578319	206660684	/nfs/dbraw/zinc/66/06/84/206660684.db2.gz	XZGLWMZMMQHUAF-QMMMGPOBSA-N	0	0	360.049	2.761	10	30		FFEERN
COc1ccccc1[C@H](C)CC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000103065705	250132998	/nfs/dbraw/zinc/13/29/98/250132998.db2.gz	KIGVHVPQBRIOFV-MRXNPFEDSA-N	0	0	364.449	2.804	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1C#N	ZINC000106208145	250256181	/nfs/dbraw/zinc/25/61/81/250256181.db2.gz	VREDHPFAAPWODW-MRXNPFEDSA-N	0	0	355.442	2.894	10	30		FFEERN
Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(N)=S)CCC2	ZINC000040824453	208270973	/nfs/dbraw/zinc/27/09/73/208270973.db2.gz	QKYLAIRBGVBQAY-CIAFOILYSA-N	0	0	360.414	2.853	10	30		FFEERN
N#Cc1ccccc1N1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CC1	ZINC000277135921	256164009	/nfs/dbraw/zinc/16/40/09/256164009.db2.gz	DBUAENGCWZEDMB-CVDCTZTESA-N	0	0	373.456	2.947	10	30		FFEERN
N#Cc1nc(N2CCN(Cc3ccc(Cl)s3)CC2)ccc1[N+](=O)[O-]	ZINC000302711959	258108605	/nfs/dbraw/zinc/10/86/05/258108605.db2.gz	IHFXYTFBBMZQCO-UHFFFAOYSA-N	0	0	363.830	2.899	10	30		FFEERN
N#Cc1ccc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)c([N+](=O)[O-])c1	ZINC000301564340	258056344	/nfs/dbraw/zinc/05/63/44/258056344.db2.gz	LLEXTBWAYNKYLU-QGZVFWFLSA-N	0	0	364.405	2.970	10	30		FFEERN
CCc1nnc(N2CCN(C(=O)c3ccccc3F)CC2)c(C#N)c1CC	ZINC000301610456	258058656	/nfs/dbraw/zinc/05/86/56/258058656.db2.gz	CLHLXYNQMCSPCO-UHFFFAOYSA-N	0	0	367.428	2.575	10	30		FFEERN
COC(=O)c1cc(I)c(C#N)c(C(F)(F)F)c1	ZINC000575392314	518209544	/nfs/dbraw/zinc/20/95/44/518209544.db2.gz	IAFUJZWWOLNVIQ-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O	ZINC000005355881	506437021	/nfs/dbraw/zinc/43/70/21/506437021.db2.gz	KUGNSEAHJVSMAJ-IRXDYDNUSA-N	0	0	351.450	2.663	10	30	in-vitro	FFEERN
C[C@H](Sc1nnnn1Cc1ccccc1)C(=O)Nc1ccccc1C#N	ZINC000008547976	506659029	/nfs/dbraw/zinc/65/90/29/506659029.db2.gz	KOCLKSFXFOTYPR-ZDUSSCGKSA-N	0	0	364.434	2.712	10	30		FFEERN
N#Cc1cccnc1N1CCCN(C(=O)NCCc2ccccc2F)CC1	ZINC000056557173	507043091	/nfs/dbraw/zinc/04/30/91/507043091.db2.gz	LVEZFCWERCOTAD-UHFFFAOYSA-N	0	0	367.428	2.557	10	30		FFEERN
C=CCOc1cccc(NC(=O)NC2CCN(c3ncccn3)CC2)c1	ZINC000056609335	507056887	/nfs/dbraw/zinc/05/68/87/507056887.db2.gz	RXXNNHIOGHUKRU-UHFFFAOYSA-N	0	0	353.426	2.832	10	30		FFEERN
C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2	ZINC000018891621	507151343	/nfs/dbraw/zinc/15/13/43/507151343.db2.gz	QQHCIMZTQFUWDK-ZIAGYGMSSA-N	0	0	352.390	2.974	10	30		FFEERN
Cc1c(C(=O)N[C@@H](C#N)C2CC2)sc2nc3n(c(=O)c12)CCCCC3	ZINC000108842854	507921119	/nfs/dbraw/zinc/92/11/19/507921119.db2.gz	XUOWLABJPHPTBR-LBPRGKRZSA-N	0	0	356.451	2.525	10	30		FFEERN
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1	ZINC000108832049	507921181	/nfs/dbraw/zinc/92/11/81/507921181.db2.gz	KRFNJBVPFRYARE-CLCXKQKWSA-N	0	0	369.465	2.887	10	30		FFEERN
Cc1nnc(SCC(=O)N[C@H](C#N)C2CC2)n1-c1cc(C)ccc1C	ZINC000108843461	507921760	/nfs/dbraw/zinc/92/17/60/507921760.db2.gz	GFEBFLFJVLWOPM-OAHLLOKOSA-N	0	0	355.467	2.703	10	30		FFEERN
CN(C[C@@H]1CCCOC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000109363106	507957659	/nfs/dbraw/zinc/95/76/59/507957659.db2.gz	IDPDYYQLPIGXQE-DLBZAZTESA-N	0	0	374.460	2.734	10	30		FFEERN
C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1cccc(-n2ccnc2)c1	ZINC000076661837	508238424	/nfs/dbraw/zinc/23/84/24/508238424.db2.gz	BOOJQHJDINBJPN-AWEZNQCLSA-N	0	0	359.389	2.560	10	30		FFEERN
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCS1	ZINC000083537884	508247257	/nfs/dbraw/zinc/24/72/57/508247257.db2.gz	IDNQKXMNDPALAY-VIFPVBQESA-N	0	0	350.387	2.703	10	30		FFEERN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCn2nc(C)nc21	ZINC000083750022	508256923	/nfs/dbraw/zinc/25/69/23/508256923.db2.gz	CQMKUUSOVDFFLB-MRXNPFEDSA-N	0	0	370.413	2.727	10	30		FFEERN
CN(CC#N)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F	ZINC000101866712	508258970	/nfs/dbraw/zinc/25/89/70/508258970.db2.gz	SEMGUHCRHCDZQE-DQYPLSBCSA-N	0	0	361.392	2.720	10	30		FFEERN
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2nc(CC)nn2C1	ZINC000114978444	508364229	/nfs/dbraw/zinc/36/42/29/508364229.db2.gz	RZHLSLLHIUEASE-QGZVFWFLSA-N	0	0	366.469	2.649	10	30		FFEERN
CS(=O)(=O)OCc1ccc2c(c1)CN(C(=O)OCc1ccccc1)C2	ZINC000115500523	508397463	/nfs/dbraw/zinc/39/74/63/508397463.db2.gz	UAGTZHGSHZBUCL-UHFFFAOYSA-N	0	0	361.419	2.815	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)cc1	ZINC000152556226	508468947	/nfs/dbraw/zinc/46/89/47/508468947.db2.gz	ODZBMVQAFZBYIL-UHFFFAOYSA-N	0	0	353.426	2.737	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)C2)n1	ZINC000116781912	508560558	/nfs/dbraw/zinc/56/05/58/508560558.db2.gz	OZNAZGIKQOMAHN-QGZVFWFLSA-N	0	0	369.494	2.798	10	30		FFEERN
N#Cc1ccc(OC2CN(C(=O)N[C@H]3CCCC[C@H]3n3cccn3)C2)cc1	ZINC000153288807	508567994	/nfs/dbraw/zinc/56/79/94/508567994.db2.gz	JHZQFPJXAWKBMB-RBUKOAKNSA-N	0	0	365.437	2.711	10	30		FFEERN
C[C@H](c1ccc(C#N)cc1)N1CCN(C[C@H](O)COc2ccccc2)CC1	ZINC000118398530	508649252	/nfs/dbraw/zinc/64/92/52/508649252.db2.gz	QBWHXVDATTVLIV-NQIIRXRSSA-N	0	0	365.477	2.677	10	30		FFEERN
N#CCOc1ccc(CC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)cc1	ZINC000154107762	508717830	/nfs/dbraw/zinc/71/78/30/508717830.db2.gz	DSPKSKAYFRLBRQ-FUHWJXTLSA-N	0	0	354.406	2.839	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)ccc1F	ZINC000123888099	508754112	/nfs/dbraw/zinc/75/41/12/508754112.db2.gz	QKBKUICUEQAHHW-APWZRJJASA-N	0	0	374.437	2.974	10	30		FFEERN
C[C@@H]1CC[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)c2ccccc21	ZINC000159617016	508865964	/nfs/dbraw/zinc/86/59/64/508865964.db2.gz	SDNOOCYDJWGOHA-ZVBNFSSVSA-N	0	0	353.422	2.658	10	30		FFEERN
Cc1cnn(C[C@H]2CN(C(=O)N[C@@H](CCC#N)c3ccccc3)CCO2)c1	ZINC000151438168	509016758	/nfs/dbraw/zinc/01/67/58/509016758.db2.gz	UXWBLNFOGKZUCA-MOPGFXCFSA-N	0	0	367.453	2.647	10	30		FFEERN
Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H](CCC#N)c3ccccc3)CCO2)c1	ZINC000151438107	509017020	/nfs/dbraw/zinc/01/70/20/509017020.db2.gz	UXWBLNFOGKZUCA-OALUTQOASA-N	0	0	367.453	2.647	10	30		FFEERN
COc1cc(C#N)ccc1OCC(=O)NC1CCN(c2cccs2)CC1	ZINC000120558612	509020950	/nfs/dbraw/zinc/02/09/50/509020950.db2.gz	AZGZFQKLKZNXDI-UHFFFAOYSA-N	0	0	371.462	2.792	10	30		FFEERN
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)C#N)cc2)ccc1F	ZINC000125740704	509023762	/nfs/dbraw/zinc/02/37/62/509023762.db2.gz	BFGBRUXABUNJMQ-GFCCVEGCSA-N	0	0	361.398	2.577	10	30		FFEERN
Cc1cccc(N2CCC(NC(=O)c3c(F)cc(C#N)cc3F)CC2)n1	ZINC000151969405	509120851	/nfs/dbraw/zinc/12/08/51/509120851.db2.gz	VDOJGEJADLTLLQ-UHFFFAOYSA-N	0	0	356.376	2.939	10	30		FFEERN
CCc1noc([C@H](C)N2CCN(CCCOc3cccc(C#N)c3)CC2)n1	ZINC000156188424	509141452	/nfs/dbraw/zinc/14/14/52/509141452.db2.gz	YUDDFAFUNIFVFR-INIZCTEOSA-N	0	0	369.469	2.651	10	30		FFEERN
O=C(C#Cc1ccc2c(c1)OCO2)NC1CCN(c2cccs2)CC1	ZINC000126905790	509145483	/nfs/dbraw/zinc/14/54/83/509145483.db2.gz	JDXADUBAZUVDEI-UHFFFAOYSA-N	0	0	354.431	2.614	10	30		FFEERN
Cc1csc([C@@H]2CCCN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)n1	ZINC000121650491	509180047	/nfs/dbraw/zinc/18/00/47/509180047.db2.gz	ACGKHZNMZHTAHP-OAHLLOKOSA-N	0	0	354.431	2.938	10	30		FFEERN
CCn1cc(C2CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)cn1	ZINC000195500239	509193792	/nfs/dbraw/zinc/19/37/92/509193792.db2.gz	MUNFDTYIDAZYCE-INIZCTEOSA-N	0	0	357.502	2.814	10	30		FFEERN
CCn1cc(C2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cn1	ZINC000195500342	509193902	/nfs/dbraw/zinc/19/39/02/509193902.db2.gz	KJTVTSBFPPAKSB-HNNXBMFYSA-N	0	0	351.454	2.981	10	30		FFEERN
Cn1cc(C#N)cc1C(=O)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1	ZINC000191934523	509251843	/nfs/dbraw/zinc/25/18/43/509251843.db2.gz	XVRLYHXSNNMZCU-INIZCTEOSA-N	0	0	372.469	2.901	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N2CC[C@H](c3c(F)cccc3F)C2)cc1	ZINC000185621655	509269776	/nfs/dbraw/zinc/26/97/76/509269776.db2.gz	NSNCPJJPMBZHKE-AWEZNQCLSA-N	0	0	369.371	2.985	10	30		FFEERN
C=CC1CCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1	ZINC000176086533	509316753	/nfs/dbraw/zinc/31/67/53/509316753.db2.gz	KDDNZCMGGYDLOT-GFCCVEGCSA-N	0	0	354.447	2.898	10	30		FFEERN
C[C@H](CCNC(=O)c1c(F)cc(C#N)cc1F)NC(=O)OC(C)(C)C	ZINC000176157101	509352883	/nfs/dbraw/zinc/35/28/83/509352883.db2.gz	XAEOSOYDVOZJAM-SNVBAGLBSA-N	0	0	353.369	2.870	10	30		FFEERN
COc1ccc(CN2CCN(c3cc(C)[nH]n3)CC2)cc1OCCCC#N	ZINC000189017262	509370611	/nfs/dbraw/zinc/37/06/11/509370611.db2.gz	FECRCYCEOFQJON-UHFFFAOYSA-N	0	0	369.469	2.732	10	30		FFEERN
Cc1cc2ncc([C@H](C)Nc3cnn(-c4ncccc4C#N)c3)c(C)n2n1	ZINC000185998207	509471018	/nfs/dbraw/zinc/47/10/18/509471018.db2.gz	WKNDZHDASXZIBP-ZDUSSCGKSA-N	0	0	358.409	2.972	10	30		FFEERN
C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)COCc2ccccc2)c1	ZINC000173531129	509643756	/nfs/dbraw/zinc/64/37/56/509643756.db2.gz	JSLIZCYJYDFGBB-MRXNPFEDSA-N	0	0	368.433	2.911	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@@H]21	ZINC000183250700	509680573	/nfs/dbraw/zinc/68/05/73/509680573.db2.gz	VYHOQGIMAKPKMR-YESZJQIVSA-N	0	0	355.438	2.934	10	30		FFEERN
C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1Br	ZINC000170655420	509701062	/nfs/dbraw/zinc/70/10/62/509701062.db2.gz	VTHCCSKGYLBLRL-JTQLQIEISA-N	0	0	366.240	2.755	10	30		FFEERN
N#Cc1ccc(SCC(=O)N2CCCN(c3ccccn3)CC2)cc1	ZINC000186435216	509707070	/nfs/dbraw/zinc/70/70/70/509707070.db2.gz	VDVJJNOORNVHOV-UHFFFAOYSA-N	0	0	352.463	2.784	10	30		FFEERN
Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000180040202	509721096	/nfs/dbraw/zinc/72/10/96/509721096.db2.gz	WHBQWTNMJLPXJE-AWEZNQCLSA-N	0	0	364.858	2.570	10	30		FFEERN
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1nnc2n1CCCC2	ZINC000180049013	509725885	/nfs/dbraw/zinc/72/58/85/509725885.db2.gz	PTDGLCWUFZPUQF-OLZOCXBDSA-N	0	0	354.414	2.788	10	30		FFEERN
CCO[C@H]1C[C@@H](Nc2cnn(-c3ncccc3C#N)c2)C12CCOCC2	ZINC000186506383	509744579	/nfs/dbraw/zinc/74/45/79/509744579.db2.gz	RIUNHRQMFCRSRF-SJORKVTESA-N	0	0	353.426	2.525	10	30		FFEERN
CCOC(=O)c1ccc(-c2ccc(C=Nc3cnn(C)c3C(N)=O)o2)cc1	ZINC000254884177	509912403	/nfs/dbraw/zinc/91/24/03/509912403.db2.gz	NGQWRIRNQNNKLG-UHFFFAOYSA-N	0	0	366.377	2.706	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC(=O)/C=C/c2ccc3c(c2)OCCO3)cn1	ZINC000183665240	509914645	/nfs/dbraw/zinc/91/46/45/509914645.db2.gz	JMTWFVBHWBBOEA-GQCTYLIASA-N	0	0	373.372	2.562	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](CCC#N)c2ccccc2)C1	ZINC000190139459	509961851	/nfs/dbraw/zinc/96/18/51/509961851.db2.gz	YMXBEZXJIIVDER-YESZJQIVSA-N	0	0	369.425	2.895	10	30		FFEERN
C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000177586065	510146953	/nfs/dbraw/zinc/14/69/53/510146953.db2.gz	LVVPVQGACIFFFY-SNVBAGLBSA-N	0	0	358.847	2.562	10	30		FFEERN
COC(=O)[C@@H]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)C1	ZINC000171471085	510179912	/nfs/dbraw/zinc/17/99/12/510179912.db2.gz	LLKLWWVKIDOIDN-OAHLLOKOSA-N	0	0	368.389	2.755	10	30		FFEERN
CN(C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000246024057	510254124	/nfs/dbraw/zinc/25/41/24/510254124.db2.gz	MUDIVONRTBGWHM-OALUTQOASA-N	0	0	369.852	2.982	10	30		FFEERN
Cc1cccc(NC(=O)C(=O)NC[C@H]2CCN(C)c3ccccc32)c1C#N	ZINC000174764176	510298168	/nfs/dbraw/zinc/29/81/68/510298168.db2.gz	QGEKFLLHZWPANK-OAHLLOKOSA-N	0	0	362.433	2.545	10	30		FFEERN
Cc1nc(CN2CCCN(C(=O)Cc3ccc(C#N)cc3)CC2)cs1	ZINC000171815659	510387241	/nfs/dbraw/zinc/38/72/41/510387241.db2.gz	IQQOHCJCUYFXIB-UHFFFAOYSA-N	0	0	354.479	2.600	10	30		FFEERN
COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC1(C#N)CCCCCC1	ZINC000191098266	510502778	/nfs/dbraw/zinc/50/27/78/510502778.db2.gz	HSMVYXKHCXNAJZ-UHFFFAOYSA-N	0	0	354.428	2.578	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000178543439	510654304	/nfs/dbraw/zinc/65/43/04/510654304.db2.gz	FCZRQFAKRZQOID-MRXNPFEDSA-N	0	0	350.426	2.789	10	30		FFEERN
Cc1noc([C@H]2COCCN2CC#Cc2ccc(C(F)(F)F)cc2)n1	ZINC000185081519	510673785	/nfs/dbraw/zinc/67/37/85/510673785.db2.gz	VNQDMEWYIRZXFD-OAHLLOKOSA-N	0	0	351.328	2.822	10	30		FFEERN
C=CC[C@@H](C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1	ZINC000188339448	510718697	/nfs/dbraw/zinc/71/86/97/510718697.db2.gz	XRFHXTZATRIKKG-MSOLQXFVSA-N	0	0	366.465	2.700	10	30		FFEERN
CCc1nnc(C2CCN(C(=O)C=Cc3ccc(OCC#N)cc3)CC2)[nH]1	ZINC000191567441	510726456	/nfs/dbraw/zinc/72/64/56/510726456.db2.gz	YFJWCSWYZFXWIT-VMPITWQZSA-N	0	0	365.437	2.689	10	30		FFEERN
N#Cc1ccccc1-c1ccccc1C(=O)N1CC(NC(=O)C2CCC2)C1	ZINC000188538019	510815133	/nfs/dbraw/zinc/81/51/33/510815133.db2.gz	JNVDULOUWRBIKE-UHFFFAOYSA-N	0	0	359.429	2.966	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000172678950	510843468	/nfs/dbraw/zinc/84/34/68/510843468.db2.gz	SIONXPPSDWEQLS-HNNXBMFYSA-N	0	0	355.419	2.907	10	30		FFEERN
Cc1ccc(N(CCC#N)C(=O)CN2CCS[C@H]3COCC[C@H]32)cc1C	ZINC000247292809	510855854	/nfs/dbraw/zinc/85/58/54/510855854.db2.gz	UFZSBWVJOJIJJD-MOPGFXCFSA-N	0	0	373.522	2.756	10	30		FFEERN
O=C(NCc1cccc(N2CCOCC2)n1)NC1C2CC3CC(C2)CC1C3	ZINC000330074000	510911667	/nfs/dbraw/zinc/91/16/67/510911667.db2.gz	KYADCARGTWACRF-UHFFFAOYSA-N	0	0	370.497	2.747	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2nccs2)C1	ZINC000330204793	510936322	/nfs/dbraw/zinc/93/63/22/510936322.db2.gz	BXHZZGOFHZCVAV-BFHYXJOUSA-N	0	0	371.528	2.592	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000330272114	510953990	/nfs/dbraw/zinc/95/39/90/510953990.db2.gz	XCJNUZRNHJWLRH-QZKOUSHUSA-N	0	0	358.360	2.905	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc3c(c2)NC(=O)CC3)C1	ZINC000330349978	510971921	/nfs/dbraw/zinc/97/19/21/510971921.db2.gz	KNUIRCXRUVKSMD-DZGCQCFKSA-N	0	0	371.397	2.920	10	30		FFEERN
C#CCNC(=O)c1ccc(N[C@@H](C)c2cnn(Cc3ccccc3)c2)nc1	ZINC000301811675	511701382	/nfs/dbraw/zinc/70/13/82/511701382.db2.gz	BREYCBGQSNOJJK-INIZCTEOSA-N	0	0	359.433	2.863	10	30		FFEERN
Cc1csc([C@@H](C)CNC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)n1	ZINC000328598624	511889858	/nfs/dbraw/zinc/88/98/58/511889858.db2.gz	BHFZBSOZRDBMLH-CFVMTHIKSA-N	0	0	364.515	2.850	10	30		FFEERN
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C12CCC2	ZINC000328601132	511889966	/nfs/dbraw/zinc/88/99/66/511889966.db2.gz	DZFAGZDIGJPEDX-YYIAUSFCSA-N	0	0	363.502	2.629	10	30		FFEERN
CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)NCc1ccco1	ZINC000328649309	511907366	/nfs/dbraw/zinc/90/73/66/511907366.db2.gz	UXVYBTIRRICFET-STQMWFEESA-N	0	0	352.435	2.695	10	30		FFEERN
Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@H]1CCC(=O)NC12CCC2	ZINC000328688312	511915520	/nfs/dbraw/zinc/91/55/20/511915520.db2.gz	HOKLXUXQCHLBSK-ZDUSSCGKSA-N	0	0	356.430	2.569	10	30		FFEERN
CN1C(=O)C[C@@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)[C@@H]1c1ccccc1	ZINC000328845306	511939751	/nfs/dbraw/zinc/93/97/51/511939751.db2.gz	AEQZLJHKHNRVLA-DMUMMCEESA-N	0	0	371.481	2.763	10	30		FFEERN
O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@H]1CC12CCS(=O)(=O)CC2	ZINC000328891674	511945585	/nfs/dbraw/zinc/94/55/85/511945585.db2.gz	SMNZZBQPUWJOEH-KFWWJZLASA-N	0	0	351.472	2.538	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)NCc3csc(-c4ccccc4)n3)C[C@@H]21	ZINC000328891715	511946207	/nfs/dbraw/zinc/94/62/07/511946207.db2.gz	SOLBDWWEUVWKLS-DLBZAZTESA-N	0	0	372.494	2.629	10	30		FFEERN
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC(=O)N([C@H]2C[C@H]2C)C1	ZINC000328990117	511962315	/nfs/dbraw/zinc/96/23/15/511962315.db2.gz	VCDOFMHMWGBKGM-IHRRBPCASA-N	0	0	374.485	2.898	10	30		FFEERN
C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C(=O)N1c1ccccc1	ZINC000328996284	511965151	/nfs/dbraw/zinc/96/51/51/511965151.db2.gz	FNCUXEUDMGHNQG-MWQQHZPXSA-N	0	0	368.437	2.648	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)[C@]12CCCO2	ZINC000329014311	511966755	/nfs/dbraw/zinc/96/67/55/511966755.db2.gz	FTFTWBJOBJTQFG-PVEBQJOJSA-N	0	0	363.458	2.571	10	30		FFEERN
Cc1nc([C@H]2CCCN2C(=O)Nc2cc(Br)ccn2)no1	ZINC000329029899	511971169	/nfs/dbraw/zinc/97/11/69/511971169.db2.gz	KYKRVAIIFPNQIO-SNVBAGLBSA-N	0	0	352.192	2.918	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)NCc3cccc(-c4ccccn4)c3)C[C@@H]21	ZINC000329079733	511978955	/nfs/dbraw/zinc/97/89/55/511978955.db2.gz	RBMKIGCJTNDGPN-VQTJNVASSA-N	0	0	366.465	2.568	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCOC2(CCCC2)C1	ZINC000329100783	511983457	/nfs/dbraw/zinc/98/34/57/511983457.db2.gz	ZMLXYJATRCCHBR-PMPSAXMXSA-N	0	0	362.474	2.728	10	30		FFEERN
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@@H](c2nccs2)C1	ZINC000329110431	511983935	/nfs/dbraw/zinc/98/39/35/511983935.db2.gz	JJQZXGQKISHMQV-CKEIUWERSA-N	0	0	351.472	2.575	10	30		FFEERN
O=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CCO[C@@H]1c1cccnc1	ZINC000329113199	511985894	/nfs/dbraw/zinc/98/58/94/511985894.db2.gz	HICILMXQKFOJLE-UCLAIMLFSA-N	0	0	353.422	2.982	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N2CCC[C@@H]2C2CCCCC2)CC(=O)N1C	ZINC000329417858	512042358	/nfs/dbraw/zinc/04/23/58/512042358.db2.gz	DNLNUAKQCZSUOE-GPMSIDNRSA-N	0	0	373.501	2.651	10	30		FFEERN
CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329632708	512079658	/nfs/dbraw/zinc/07/96/58/512079658.db2.gz	WXEUQXWBIWOKFI-HZPDHXFCSA-N	0	0	359.474	2.501	10	30		FFEERN
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)N1CCc2cncnc2C1	ZINC000329645184	512081739	/nfs/dbraw/zinc/08/17/39/512081739.db2.gz	JHWKTMOCLHHINF-MRXNPFEDSA-N	0	0	355.417	2.557	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C([O-])=[NH+]CCc3csc(C)n3)C2)n1	ZINC000329665503	512083421	/nfs/dbraw/zinc/08/34/21/512083421.db2.gz	QUTIIHSECPBYDG-OAHLLOKOSA-N	0	0	362.503	2.529	10	30		FFEERN
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCN2c2cccnn2)C1	ZINC000329767453	512094911	/nfs/dbraw/zinc/09/49/11/512094911.db2.gz	ZOEQPYAICDYPSX-YESZJQIVSA-N	0	0	373.501	2.687	10	30		FFEERN
Cc1nc(CN2CCN(C(=O)NCC3C[C@H](C)O[C@@H](C)C3)CC2)cs1	ZINC000329804601	512099225	/nfs/dbraw/zinc/09/92/25/512099225.db2.gz	MFQSIFLYIOOWAK-KBPBESRZSA-N	0	0	366.531	2.687	10	30		FFEERN
O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1	ZINC000329852874	512104260	/nfs/dbraw/zinc/10/42/60/512104260.db2.gz	VCWPUVKGWLBEPG-USXIJHARSA-N	0	0	370.453	2.521	10	30		FFEERN
CC(=O)N1CC[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c2ccccc21	ZINC000329871357	512104883	/nfs/dbraw/zinc/10/48/83/512104883.db2.gz	AQKBBTSISYFATE-JENIJYKNSA-N	0	0	368.437	2.952	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F	ZINC000408002293	512982876	/nfs/dbraw/zinc/98/28/76/512982876.db2.gz	FFQMHMLXPJNWGK-WRWORJQWSA-N	0	0	365.199	2.698	10	30		FFEERN
CN1C(=O)N[C@@H]2CN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC[C@@H]21	ZINC000408035411	512987542	/nfs/dbraw/zinc/98/75/42/512987542.db2.gz	XVYFUQYALOWGJH-OLZOCXBDSA-N	0	0	359.792	2.501	10	30		FFEERN
C[C@H]1CC[S@](=O)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000408042582	512989091	/nfs/dbraw/zinc/98/90/91/512989091.db2.gz	SNYAWAHAMWBXKN-JUZXBQNTSA-N	0	0	359.373	2.952	10	30		FFEERN
Cc1c(F)cc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C#N)cc1[N+](=O)[O-]	ZINC000408404261	513060427	/nfs/dbraw/zinc/06/04/27/513060427.db2.gz	XNCNEXMFGTYFJY-CQSZACIVSA-N	0	0	355.391	2.745	10	30		FFEERN
N#CCc1cc(I)cc(OC(F)F)c1[N+](=O)[O-]	ZINC000575666543	518245842	/nfs/dbraw/zinc/24/58/42/518245842.db2.gz	JQCQGMROONMNEJ-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
N#Cc1cc([N+](=O)[O-])cc(Br)c1I	ZINC000575691043	518248465	/nfs/dbraw/zinc/24/84/65/518248465.db2.gz	AEYYCWMVCOQTPN-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
COC(=O)/C(=N/Nc1ccc(C)cc1)Sc1nnnn1-c1ccccc1	ZINC000038193667	522738942	/nfs/dbraw/zinc/73/89/42/522738942.db2.gz	KGUREHBWHYYMPZ-CYVLTUHYSA-N	0	0	368.422	2.661	10	30		FFEERN
C=CCCOCCNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C	ZINC000155097600	728820636	/nfs/dbraw/zinc/82/06/36/728820636.db2.gz	VLWNXOSVYAOXKV-MRXNPFEDSA-N	0	0	352.862	2.803	10	30		FFEERN
CC(C)[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000047804562	728038057	/nfs/dbraw/zinc/03/80/57/728038057.db2.gz	VBVOJSRAGXFUEN-MMOSJZJFSA-N	0	0	366.487	2.665	10	30		FFEERN
N#Cc1cccnc1N1CCN(C(=O)CSc2ccc(F)cc2)CC1	ZINC000105283715	728504640	/nfs/dbraw/zinc/50/46/40/728504640.db2.gz	XPZXLHIOUHSYDT-UHFFFAOYSA-N	0	0	356.426	2.533	10	30		FFEERN
C#CCSCCNC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000127983159	728707807	/nfs/dbraw/zinc/70/78/07/728707807.db2.gz	BZZITIHXUMYKGO-LSDHHAIUSA-N	0	0	372.412	2.889	10	30		FFEERN
C#CCCCCNC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000163053270	728952396	/nfs/dbraw/zinc/95/23/96/728952396.db2.gz	XVRBWFCVPLTSRW-SNVBAGLBSA-N	0	0	367.232	2.898	10	30		FFEERN
CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc2nc[nH]c(=O)c2c1	ZINC000328824049	729795386	/nfs/dbraw/zinc/79/53/86/729795386.db2.gz	GWLYIOOTKNEPFP-QMTHXVAHSA-N	0	0	360.439	2.871	10	30		FFEERN
CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1	ZINC000329014562	729796193	/nfs/dbraw/zinc/79/61/93/729796193.db2.gz	FVDUBGSLBCOILO-KKOKHZNYSA-N	0	0	361.368	2.602	10	30		FFEERN
C[C@H](NC(=O)N1CCN(c2ccc(Cl)cn2)CC1)[C@@H]1CCCCO1	ZINC000329479237	729797633	/nfs/dbraw/zinc/79/76/33/729797633.db2.gz	OYOXMKAEJYJKCQ-ZFWWWQNUSA-N	0	0	352.866	2.729	10	30		FFEERN
C[C@H]1Sc2ccc(C(=O)NCCN3C(=O)CCCC3=O)cc2NC1=O	ZINC000329556036	729798001	/nfs/dbraw/zinc/79/80/01/729798001.db2.gz	BPHMXKZIEQAHJC-SNVBAGLBSA-N	0	0	361.423	2.613	10	30		FFEERN
O=C(NC1CC(c2cccc(Cl)c2)C1)N1CCO[C@]2(CCOC2)C1	ZINC000329898310	729799315	/nfs/dbraw/zinc/79/93/15/729799315.db2.gz	MBRXHQXLGGVEOE-JFUPDXTOSA-N	0	0	350.846	2.991	10	30		FFEERN
C=CC[C@]1(C(=O)N[C@@H](CO)C/C=C\C)CCCN1C(=O)OC(C)(C)C	ZINC000588581831	845982348	/nfs/dbraw/zinc/98/23/48/845982348.db2.gz	WELBIOQLRJBTTE-YBLPMKFPSA-N	0	0	352.475	2.776	10	30		FFEERN
C[C@H](C[C@H]1CCCO1)NC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000328780319	963824321	/nfs/dbraw/zinc/82/43/21/963824321.db2.gz	UJOKPVBNMSIPAI-SJLPKXTDSA-N	0	0	374.485	2.764	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCCOC3CCCCC3)C2)n1	ZINC000329666209	967926799	/nfs/dbraw/zinc/92/67/99/967926799.db2.gz	RDOUHSKLNXSQAD-QGZVFWFLSA-N	0	0	363.506	2.870	10	30		FFEERN
Cn1nccc1N1CCC[C@H](NC(=O)N2CCCc3ccccc3C2)C1	ZINC000329991660	969634507	/nfs/dbraw/zinc/63/45/07/969634507.db2.gz	JYYFRPSGFOCRET-SFHVURJKSA-N	0	0	353.470	2.751	10	30		FFEERN
CC(C)(C)c1cc(NC(=O)N[C@@H]2CCC[C@H]2C#N)n(-c2ncccn2)n1	ZINC000330029972	970079481	/nfs/dbraw/zinc/07/94/81/970079481.db2.gz	QWTOADFFZSOYCN-QWHCGFSZSA-N	0	0	353.430	2.978	10	30		FFEERN
C#CCOc1ccccc1[C@@H](C)OC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000107059479	976547965	/nfs/dbraw/zinc/54/79/65/976547965.db2.gz	BPNDFJZMEQODBF-CHWSQXEVSA-N	0	0	369.339	2.714	10	30		FFEERN
C#CCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)c1	ZINC000108184544	977862109	/nfs/dbraw/zinc/86/21/09/977862109.db2.gz	RIBCNPSGRJXBPW-SFHVURJKSA-N	0	0	368.458	2.932	10	30		FFEERN
C#CCOc1ccc(NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)cc1	ZINC000108290837	978440850	/nfs/dbraw/zinc/44/08/50/978440850.db2.gz	PLPKYQKQIBPWAU-INIZCTEOSA-N	0	0	370.355	2.968	10	30		FFEERN
Cc1cc(C(=O)N(C)CC(=O)NC(C)(C)C)c(C)n1-c1ccc(C#N)cc1	ZINC000102914090	1004223768	/nfs/dbraw/zinc/22/37/68/1004223768.db2.gz	IZGSDMIGRVBGKE-UHFFFAOYSA-N	0	0	366.465	2.953	10	30		FFEERN
CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(Br)s1	ZINC000004909282	206742657	/nfs/dbraw/zinc/74/26/57/206742657.db2.gz	FRHGNNMJNPKMCF-UHFFFAOYSA-N	0	0	369.306	2.886	10	30		FFEERN
N#Cc1ccc(OCCNC(=O)N2CCC[C@@H](c3nccs3)C2)cc1	ZINC000173508824	251196804	/nfs/dbraw/zinc/19/68/04/251196804.db2.gz	FWZZXFYQRDELPX-OAHLLOKOSA-N	0	0	356.451	2.983	10	30		FFEERN
COC(=O)c1sc(NC(=O)c2ccc(C(=O)OC)cc2)c(C#N)c1C	ZINC000009472687	207272717	/nfs/dbraw/zinc/27/27/17/207272717.db2.gz	VRPVTXBATCMRLL-UHFFFAOYSA-N	0	0	358.375	2.754	10	30		FFEERN
COc1ccccc1Oc1ncnc(N(CCC#N)CCC#N)c1[N+](=O)[O-]	ZINC000040618220	208258958	/nfs/dbraw/zinc/25/89/58/208258958.db2.gz	RNWPXHRMRFSFQJ-UHFFFAOYSA-N	0	0	368.353	2.819	10	30		FFEERN
Cc1noc([C@@H]2CN(c3ccc(Br)cc3C#N)CCN2C)n1	ZINC000284447083	256930193	/nfs/dbraw/zinc/93/01/93/256930193.db2.gz	GBVWDOVRTIHQFQ-AWEZNQCLSA-N	0	0	362.231	2.505	10	30		FFEERN
N#Cc1ccc(CN2CCCN(S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1	ZINC000333227282	258257078	/nfs/dbraw/zinc/25/70/78/258257078.db2.gz	XPLMIGONCMYUCP-AABGKKOBSA-N	0	0	373.522	2.584	10	30		FFEERN
N#Cc1ccc(Br)c(I)c1[N+](=O)[O-]	ZINC000575691459	518249297	/nfs/dbraw/zinc/24/92/97/518249297.db2.gz	FDFCNMFOPQVOCN-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
CC(C)CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1	ZINC000015599240	507050824	/nfs/dbraw/zinc/05/08/24/507050824.db2.gz	KAYDHQKIFNZTSE-UHFFFAOYSA-N	0	0	357.435	2.745	10	30		FFEERN
O=[N+]([O-])c1ccccc1C=NN1C(=S)N=NC1COc1ccccc1	ZINC000015988014	507068707	/nfs/dbraw/zinc/06/87/07/507068707.db2.gz	OMPGJOQTZBOCKG-YVLHZVERSA-N	0	0	355.379	2.936	10	30		FFEERN
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)ccc1Cl	ZINC000048765792	507562215	/nfs/dbraw/zinc/56/22/15/507562215.db2.gz	OUFKGKDQMHHKSY-HNNXBMFYSA-N	0	0	355.781	2.790	10	30		FFEERN
CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	ZINC000108818934	507920473	/nfs/dbraw/zinc/92/04/73/507920473.db2.gz	JTJSLUPUHXGRQD-NWDGAFQWSA-N	0	0	358.250	2.596	10	30		FFEERN
N#C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1	ZINC000108834467	507921505	/nfs/dbraw/zinc/92/15/05/507921505.db2.gz	WTEYHGSOWRRDTC-SMDDNHRTSA-N	0	0	352.221	2.765	10	30		FFEERN
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1	ZINC000109355530	507957102	/nfs/dbraw/zinc/95/71/02/507957102.db2.gz	LXJDQIWDYNFEKJ-LJQANCHMSA-N	0	0	365.481	2.886	10	30		FFEERN
CSc1ccc(N2C[C@H](C(=O)Nc3ccc(C#N)cn3)CC2=O)cc1	ZINC000110285063	508018938	/nfs/dbraw/zinc/01/89/38/508018938.db2.gz	RROKFYGXWHATFO-CYBMUJFWSA-N	0	0	352.419	2.667	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)Cc1ccc(S(=O)(=O)CC)cc1	ZINC000110424280	508027056	/nfs/dbraw/zinc/02/70/56/508027056.db2.gz	UNLDSHGXSUONDC-UHFFFAOYSA-N	0	0	373.474	2.904	10	30		FFEERN
Cn1cc(C#N)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000081791180	508211484	/nfs/dbraw/zinc/21/14/84/508211484.db2.gz	BASQOJVFCANWFU-GOOCMWNKSA-N	0	0	358.442	2.557	10	30		FFEERN
COc1cccc2c1OC[C@@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)C2	ZINC000077311229	508298718	/nfs/dbraw/zinc/29/87/18/508298718.db2.gz	MQTJQEXNFNQWDG-JEJOPICUSA-N	0	0	364.401	2.731	10	30		FFEERN
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2O)cc1	ZINC000103290447	508304797	/nfs/dbraw/zinc/30/47/97/508304797.db2.gz	NXGYBBKWBKCXCK-MSOLQXFVSA-N	0	0	357.454	2.926	10	30		FFEERN
CN(CC#N)C(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl	ZINC000104347182	508332825	/nfs/dbraw/zinc/33/28/25/508332825.db2.gz	YCCCNTDNCJEREB-GOSISDBHSA-N	0	0	367.836	2.889	10	30		FFEERN
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000156461454	508424019	/nfs/dbraw/zinc/42/40/19/508424019.db2.gz	UFFDNDVGLQBSOM-KGLIPLIRSA-N	0	0	361.446	2.819	10	30		FFEERN
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](c2cnn(C)c2)C1	ZINC000116321235	508499273	/nfs/dbraw/zinc/49/92/73/508499273.db2.gz	VPXHWBBQMPLOED-OLZOCXBDSA-N	0	0	369.494	2.658	10	30		FFEERN
Cc1cc(C#N)ccc1C(=O)N1CCCN(C(=O)c2cccs2)CC1	ZINC000122576329	508557077	/nfs/dbraw/zinc/55/70/77/508557077.db2.gz	OJTPRWPSNSZLAS-UHFFFAOYSA-N	0	0	353.447	2.917	10	30		FFEERN
C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCCn2nc(COC)nc21	ZINC000153235028	508561954	/nfs/dbraw/zinc/56/19/54/508561954.db2.gz	NDTROPRECBGRHM-KRWDZBQOSA-N	0	0	369.469	2.700	10	30		FFEERN
CCn1cc(C2CCN(S(=O)(=O)c3cccc(C)c3C#N)CC2)cn1	ZINC000157801212	508613881	/nfs/dbraw/zinc/61/38/81/508613881.db2.gz	ONLVMYKEKPSMSK-UHFFFAOYSA-N	0	0	358.467	2.651	10	30		FFEERN
Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c1C#N	ZINC000122977653	508617406	/nfs/dbraw/zinc/61/74/06/508617406.db2.gz	VCKFHRJTRVGWCD-CQSZACIVSA-N	0	0	360.439	2.899	10	30		FFEERN
CN1C(=O)C[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1ccc(F)cc1	ZINC000128711998	508633264	/nfs/dbraw/zinc/63/32/64/508633264.db2.gz	BILJKJQIEKJOAW-CRAIPNDOSA-N	0	0	355.344	2.995	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@]3(C)CCCS3)C2)n1	ZINC000153953171	508684842	/nfs/dbraw/zinc/68/48/42/508684842.db2.gz	MIWLJWHYHMPZAS-LPHOPBHVSA-N	0	0	358.511	2.880	10	30		FFEERN
CCn1cc(C2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)cn1	ZINC000123891592	508753814	/nfs/dbraw/zinc/75/38/14/508753814.db2.gz	RUPPVYMVQZZDKF-OAHLLOKOSA-N	0	0	352.438	2.948	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)Nc2ccccc2)cc1	ZINC000154432489	508783581	/nfs/dbraw/zinc/78/35/81/508783581.db2.gz	ICBWXDTXVXCZKD-AWEZNQCLSA-N	0	0	366.421	2.751	10	30		FFEERN
CN(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@@H]1CCCc2c1cnn2C	ZINC000154460479	508789212	/nfs/dbraw/zinc/78/92/12/508789212.db2.gz	HOQVKNSQBYEUFE-VEGGFIAOSA-N	0	0	350.422	2.872	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)c1	ZINC000130658180	508828543	/nfs/dbraw/zinc/82/85/43/508828543.db2.gz	NURGFBMROQGRCJ-QGZVFWFLSA-N	0	0	372.444	2.678	10	30		FFEERN
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccccc1Br	ZINC000124672059	508867445	/nfs/dbraw/zinc/86/74/45/508867445.db2.gz	XLIDTDUTRZMIIE-QWRGUYRKSA-N	0	0	354.248	2.500	10	30		FFEERN
COc1ccc(C#N)cc1CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000159952455	508916614	/nfs/dbraw/zinc/91/66/14/508916614.db2.gz	LSPIGWUYAFGYSG-UHFFFAOYSA-N	0	0	367.497	2.836	10	30		FFEERN
CN1CCO[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1	ZINC000150973902	508933975	/nfs/dbraw/zinc/93/39/75/508933975.db2.gz	NUNLDOXXAWVMJV-LJQANCHMSA-N	0	0	366.421	2.803	10	30		FFEERN
C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000132235369	509006705	/nfs/dbraw/zinc/00/67/05/509006705.db2.gz	SKQKFYNZRCWXKY-CHWSQXEVSA-N	0	0	356.455	2.666	10	30		FFEERN
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000132235534	509007097	/nfs/dbraw/zinc/00/70/97/509007097.db2.gz	SKQKFYNZRCWXKY-QWHCGFSZSA-N	0	0	356.455	2.666	10	30		FFEERN
C[C@H](C#N)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000125876919	509040177	/nfs/dbraw/zinc/04/01/77/509040177.db2.gz	MXGLJWQFRMETLD-SNVBAGLBSA-N	0	0	370.331	2.858	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1	ZINC000132569324	509046401	/nfs/dbraw/zinc/04/64/01/509046401.db2.gz	ODLIEXXNOGVUSS-KRZKXXONSA-N	0	0	352.394	2.616	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1C#N	ZINC000132588815	509050007	/nfs/dbraw/zinc/05/00/07/509050007.db2.gz	HWTLLLUWORMLLB-HNNXBMFYSA-N	0	0	362.430	2.574	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1	ZINC000132813227	509078067	/nfs/dbraw/zinc/07/80/67/509078067.db2.gz	DVLHKBQZEPDMLE-GOSISDBHSA-N	0	0	355.369	2.686	10	30		FFEERN
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCNC(=O)C2N=CC=CC2=O)cc1	ZINC000151852418	509096670	/nfs/dbraw/zinc/09/66/70/509096670.db2.gz	ZWEVUNMAOSCIOL-OOADYSHXSA-N	0	0	367.449	2.556	10	30		FFEERN
C[C@@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1nc2ccccc2[nH]1	ZINC000133240198	509136423	/nfs/dbraw/zinc/13/64/23/509136423.db2.gz	HHTJQNZVGPHGSV-CYBMUJFWSA-N	0	0	361.405	2.968	10	30		FFEERN
CN(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1	ZINC000156245603	509149480	/nfs/dbraw/zinc/14/94/80/509149480.db2.gz	AXKCTHCWXZFEQH-INIZCTEOSA-N	0	0	363.870	2.793	10	30		FFEERN
CN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000175986227	509256930	/nfs/dbraw/zinc/25/69/30/509256930.db2.gz	RJUIWSMEMJMUTK-MRXNPFEDSA-N	0	0	367.478	2.833	10	30		FFEERN
N#Cc1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)ccc1F	ZINC000172968405	509328009	/nfs/dbraw/zinc/32/80/09/509328009.db2.gz	HVTGKPXNCKEOBZ-KRWDZBQOSA-N	0	0	352.369	2.726	10	30		FFEERN
C=CCn1c(S[C@@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)n[nH]c1=O	ZINC000163759808	509420031	/nfs/dbraw/zinc/42/00/31/509420031.db2.gz	LYLVTLHGMXHYKU-DZGCQCFKSA-N	0	0	360.483	2.752	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1	ZINC000164130717	509465204	/nfs/dbraw/zinc/46/52/04/509465204.db2.gz	WSPANXGASCHCHN-OXQOHEQNSA-N	0	0	357.454	2.761	10	30		FFEERN
N#Cc1c(F)cccc1C(=O)N1CCCN(C(=O)c2cccs2)CC1	ZINC000189468459	509589203	/nfs/dbraw/zinc/58/92/03/509589203.db2.gz	CQZLXLUXIXPIRU-UHFFFAOYSA-N	0	0	357.410	2.747	10	30		FFEERN
CCn1cnnc1[C@@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000173608227	509673175	/nfs/dbraw/zinc/67/31/75/509673175.db2.gz	GAPDATUMTOSGIX-MRXNPFEDSA-N	0	0	363.425	2.599	10	30		FFEERN
C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@]1(C#N)CCc2ccccc2C1	ZINC000186895270	509935300	/nfs/dbraw/zinc/93/53/00/509935300.db2.gz	WUUNIYXORBEFIV-YCRPNKLZSA-N	0	0	362.433	2.764	10	30		FFEERN
CCn1cc([C@H]2CN(C(=O)Nc3ccccc3O[C@H](C)C#N)CCO2)cn1	ZINC000190170870	509984874	/nfs/dbraw/zinc/98/48/74/509984874.db2.gz	ASFYMOHMWDPXPB-RDTXWAMCSA-N	0	0	369.425	2.799	10	30		FFEERN
CCN(CC)C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C	ZINC000193763053	510054530	/nfs/dbraw/zinc/05/45/30/510054530.db2.gz	RZEXKZMOYTXBMC-UHFFFAOYSA-N	0	0	352.394	2.861	10	30		FFEERN
COCc1csc(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1	ZINC000174389540	510090494	/nfs/dbraw/zinc/09/04/94/510090494.db2.gz	JJKWDMQTCAGXIC-INIZCTEOSA-N	0	0	371.466	2.531	10	30		FFEERN
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(Nc2nccs2)CC1	ZINC000190384399	510100121	/nfs/dbraw/zinc/10/01/21/510100121.db2.gz	CKJONXPBLLYYLW-ZDUSSCGKSA-N	0	0	356.451	2.885	10	30		FFEERN
C=CCCOCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000245717689	510106113	/nfs/dbraw/zinc/10/61/13/510106113.db2.gz	VJKSHZAPFXLHQE-IAGOWNOFSA-N	0	0	353.413	2.602	10	30		FFEERN
Cc1nc(C[C@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3C#N)C2)no1	ZINC000171405664	510138245	/nfs/dbraw/zinc/13/82/45/510138245.db2.gz	ZBWXFNBXHSVHQQ-CYBMUJFWSA-N	0	0	373.844	2.796	10	30		FFEERN
C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000177591089	510148370	/nfs/dbraw/zinc/14/83/70/510148370.db2.gz	KHEWIFKKSPUWTA-SNVBAGLBSA-N	0	0	358.847	2.562	10	30		FFEERN
CCOC(=O)[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccc(Cl)cc1	ZINC000194759154	510514282	/nfs/dbraw/zinc/51/42/82/510514282.db2.gz	MZDHAOCPIWHNRT-MRXNPFEDSA-N	0	0	358.781	2.951	10	30		FFEERN
Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@H](C)C#N	ZINC000175278818	510566536	/nfs/dbraw/zinc/56/65/36/510566536.db2.gz	WQGOWAOVTXJYAC-SNVBAGLBSA-N	0	0	361.243	2.953	10	30		FFEERN
Cc1cccc(S(=O)(=O)N2CCC(Nc3nccs3)CC2)c1C#N	ZINC000188084310	510584650	/nfs/dbraw/zinc/58/46/50/510584650.db2.gz	BKDZXZIBKPWREK-UHFFFAOYSA-N	0	0	362.480	2.588	10	30		FFEERN
CC(=O)NC1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	ZINC000191499271	510688315	/nfs/dbraw/zinc/68/83/15/510688315.db2.gz	USAMXDUPMOFBJG-UHFFFAOYSA-N	0	0	365.458	2.811	10	30		FFEERN
C[C@H]1CN([C@H](CNC(=O)c2ccc(C#N)cc2)c2cccs2)CCO1	ZINC000246818408	510690547	/nfs/dbraw/zinc/69/05/47/510690547.db2.gz	KMIXXXSHKRHMBG-WMLDXEAASA-N	0	0	355.463	2.812	10	30		FFEERN
CNC(=O)[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)C(C)C	ZINC000178691433	510723061	/nfs/dbraw/zinc/72/30/61/510723061.db2.gz	FZDBCCLJZJNQHQ-LJQANCHMSA-N	0	0	365.433	2.638	10	30		FFEERN
C=CCOc1ccc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cc1OC	ZINC000195291953	510766197	/nfs/dbraw/zinc/76/61/97/510766197.db2.gz	QYRPVJPIYIQFHR-HNNXBMFYSA-N	0	0	370.453	2.720	10	30		FFEERN
Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](Oc3cccnc3)C2)c(C#N)c1C	ZINC000247017817	510803102	/nfs/dbraw/zinc/80/31/02/510803102.db2.gz	ZIKFGLIKLUARLE-XJKSGUPXSA-N	0	0	354.410	2.643	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc1Cl	ZINC000247204507	510851907	/nfs/dbraw/zinc/85/19/07/510851907.db2.gz	WMPVCBWPVPGIRK-XJKSGUPXSA-N	0	0	354.859	2.527	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000247779094	510870319	/nfs/dbraw/zinc/87/03/19/510870319.db2.gz	RLEKSXGVSYBLQP-CRAIPNDOSA-N	0	0	351.454	2.981	10	30		FFEERN
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCN(C)[C@@H](c2nccn2C)C1	ZINC000329955549	510885350	/nfs/dbraw/zinc/88/53/50/510885350.db2.gz	KTDTURZKSBUVMY-ZTFGCOKTSA-N	0	0	353.470	2.556	10	30		FFEERN
Cc1cc(=O)[nH]cc1NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O	ZINC000329963946	510888177	/nfs/dbraw/zinc/88/81/77/510888177.db2.gz	SURYCPDKCBRHAR-ZDUSSCGKSA-N	0	0	369.377	2.508	10	30		FFEERN
O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1CCOc2ccccc21	ZINC000329966073	510888902	/nfs/dbraw/zinc/88/89/02/510888902.db2.gz	VLSAFHWZPOZHPY-OFQRWUPVSA-N	0	0	356.401	2.916	10	30		FFEERN
Cn1nccc1N1CCC[C@H](NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1	ZINC000329975760	510891218	/nfs/dbraw/zinc/89/12/18/510891218.db2.gz	ZZACRIWBUYOSNK-KBPBESRZSA-N	0	0	373.423	2.620	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCCN1CCc2sccc2C1	ZINC000330066290	510910279	/nfs/dbraw/zinc/91/02/79/510910279.db2.gz	DQGRXHVAXNSVSI-RHSMWYFYSA-N	0	0	360.483	2.574	10	30		FFEERN
C[C@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C	ZINC000330075140	510911661	/nfs/dbraw/zinc/91/16/61/510911661.db2.gz	LQPDDQZLRROOOE-ZSZQSSIHSA-N	0	0	354.454	2.905	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)C[C@]2(CCCOC2)O1	ZINC000330129265	510921460	/nfs/dbraw/zinc/92/14/60/510921460.db2.gz	OEOIMTCCOOWAAO-VXNCWWDNSA-N	0	0	362.474	2.551	10	30		FFEERN
CCn1ccnc(N2CCC(NC(=O)[C@@H]3CCc4ccccc43)CC2)c1=O	ZINC000330127823	510922147	/nfs/dbraw/zinc/92/21/47/510922147.db2.gz	JCUYAQGACZHYRC-GOSISDBHSA-N	0	0	366.465	2.919	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCNC(=O)C2CCCCC2)C1	ZINC000330158364	510927731	/nfs/dbraw/zinc/92/77/31/510927731.db2.gz	PZZJNJVAVJYTCF-LSDHHAIUSA-N	0	0	364.446	2.593	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCC2(CCCCC2)O1	ZINC000330226603	510941828	/nfs/dbraw/zinc/94/18/28/510941828.db2.gz	UOKYNVFFYQGCGW-ARFHVFGLSA-N	0	0	372.531	2.728	10	30		FFEERN
O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)N1CCO[C@H](CO)C1	ZINC000330240126	510944035	/nfs/dbraw/zinc/94/40/35/510944035.db2.gz	BJQZNHBWAZICPN-ICSRJNTNSA-N	0	0	352.434	2.948	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1	ZINC000330269817	510951988	/nfs/dbraw/zinc/95/19/88/510951988.db2.gz	SKJFAHIXMIUPSX-GMTAPVOTSA-N	0	0	362.352	2.793	10	30		FFEERN
CO[C@H]1CCc2c(C#N)c(NC(=O)c3nn(C)c4c3CCCC4)sc2C1	ZINC000333875665	511379480	/nfs/dbraw/zinc/37/94/80/511379480.db2.gz	QIAYWXUVBHGQCT-NSHDSACASA-N	0	0	370.478	2.988	10	30		FFEERN
C=C(Cc1cc(Br)nnc1Br)C(=O)OCC	ZINC000309178003	511768763	/nfs/dbraw/zinc/76/87/63/511768763.db2.gz	AFTWDMSSDJAGFJ-UHFFFAOYSA-N	0	0	350.010	2.663	10	30		FFEERN
CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)NCc1ccoc1	ZINC000328627896	511900111	/nfs/dbraw/zinc/90/01/11/511900111.db2.gz	GSSJOCRXBOCKHE-KBPBESRZSA-N	0	0	352.435	2.695	10	30		FFEERN
Cc1nc(CN(C)[C@H]2CCCN(C(=O)Nc3cncc(C)c3)CC2)no1	ZINC000328648428	511907456	/nfs/dbraw/zinc/90/74/56/511907456.db2.gz	UNHDMNNRZRXUSI-INIZCTEOSA-N	0	0	358.446	2.613	10	30		FFEERN
CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ccc(C#N)cn1)CC2	ZINC000328655423	511909946	/nfs/dbraw/zinc/90/99/46/511909946.db2.gz	YKEQRINKFLJHDN-INIZCTEOSA-N	0	0	367.478	2.536	10	30		FFEERN
Cc1csc([C@@H]2CN(C(=O)NC[C@@H]3CCO[C@@H]3C(C)C)CCO2)n1	ZINC000328663845	511912591	/nfs/dbraw/zinc/91/25/91/511912591.db2.gz	BFZCXFQOVAKVPT-SOUVJXGZSA-N	0	0	353.488	2.800	10	30		FFEERN
O=C(N[C@@H]1CCC(=O)NC12CCC2)N[C@H]1CCOC2(CCSCC2)C1	ZINC000328702634	511917976	/nfs/dbraw/zinc/91/79/76/511917976.db2.gz	NXFNMUDQWYMSFW-UONOGXRCSA-N	0	0	367.515	2.976	10	30		FFEERN
O=C(NCc1ccc(N2CCOCC2)nc1)NC1C2CC3CC(C2)CC1C3	ZINC000328882547	511944413	/nfs/dbraw/zinc/94/44/13/511944413.db2.gz	XFUWZTQWNCNLSU-UHFFFAOYSA-N	0	0	370.497	2.747	10	30		FFEERN
CN(Cc1ccc([S@](C)=O)cc1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1	ZINC000328900228	511947874	/nfs/dbraw/zinc/94/78/74/511947874.db2.gz	YAMIWRSEGGKKGQ-FZXICVGQSA-N	0	0	363.483	2.667	10	30		FFEERN
C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H]2OCCN(C)[C@@H]2C1	ZINC000328929104	511951890	/nfs/dbraw/zinc/95/18/90/511951890.db2.gz	YIKJOXYWXZQERJ-YUELXQCFSA-N	0	0	360.483	2.678	10	30		FFEERN
C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCn2ccnc2C1	ZINC000328979793	511961320	/nfs/dbraw/zinc/96/13/20/511961320.db2.gz	DAXLPZHVOPMHQA-IVKJLDKCSA-N	0	0	371.485	2.927	10	30		FFEERN
Cc1nc(CC(C)C)c(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)s1	ZINC000328989333	511962031	/nfs/dbraw/zinc/96/20/31/511962031.db2.gz	CRHGSNFUVPZQPH-HUUCEWRRSA-N	0	0	352.504	2.600	10	30		FFEERN
Cc1cnn(CC2CCN([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)c1	ZINC000329104482	511984928	/nfs/dbraw/zinc/98/49/28/511984928.db2.gz	CNZVCTXDBCZMSD-INIZCTEOSA-N	0	0	358.490	2.931	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)Nc3nc4c(s3)CCCCCC4)C[C@@H]21	ZINC000329133263	511989660	/nfs/dbraw/zinc/98/96/60/511989660.db2.gz	PMNZAWDLUJGDDO-LSDHHAIUSA-N	0	0	364.515	2.753	10	30		FFEERN
Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H]2COC[C@H]2n2ccnn2)cc1	ZINC000329252110	512014134	/nfs/dbraw/zinc/01/41/34/512014134.db2.gz	BTQHJTXSGYDIRF-OKZBNKHCSA-N	0	0	355.442	2.668	10	30		FFEERN
COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCO[C@@H](c2noc(C)n2)C1	ZINC000329309126	512023799	/nfs/dbraw/zinc/02/37/99/512023799.db2.gz	FKLNUGJDSRCPOG-DLBZAZTESA-N	0	0	372.425	2.752	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@@H](C(C)(C)C)C2)CC(=O)N1C1CC1	ZINC000329406320	512040500	/nfs/dbraw/zinc/04/05/00/512040500.db2.gz	AWLTZYJUBZOPFY-DDUZABMNSA-N	0	0	373.501	2.507	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCS[C@H](C)[C@H]1C)CCC2	ZINC000329449862	512049372	/nfs/dbraw/zinc/04/93/72/512049372.db2.gz	DMJIDKVMDOSCNP-UMVBOHGHSA-N	0	0	352.504	2.647	10	30		FFEERN
CCn1cc(C2CCN(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)cn1	ZINC000329459425	512052148	/nfs/dbraw/zinc/05/21/48/512052148.db2.gz	RLXLYXYBDSLPLV-QGZVFWFLSA-N	0	0	370.453	2.836	10	30		FFEERN
CCc1cccc2c1OCC[C@@H]2NC(=O)N1CCn2c(nnc2C2CC2)C1	ZINC000329485941	512056086	/nfs/dbraw/zinc/05/60/86/512056086.db2.gz	SVPZZZXORWEBMM-INIZCTEOSA-N	0	0	367.453	2.971	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCCC[C@H]1c1ncc[nH]1)CCC2	ZINC000329587444	512073990	/nfs/dbraw/zinc/07/39/90/512073990.db2.gz	SACAKLFWXGYJCD-CVEARBPZSA-N	0	0	372.473	2.771	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2c3c(nn2C)CCCC3)cn1	ZINC000329637321	512080461	/nfs/dbraw/zinc/08/04/61/512080461.db2.gz	VNPYJKXJDXWVJV-MAUKXSAKSA-N	0	0	357.458	2.750	10	30		FFEERN
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21	ZINC000407973297	512977907	/nfs/dbraw/zinc/97/79/07/512977907.db2.gz	JGPHWZCKSXQREB-ZBFHGGJFSA-N	0	0	363.483	2.891	10	30		FFEERN
CN1C(=O)N[C@@H]2CN(c3c(Br)cc(Cl)cc3C#N)CC[C@@H]21	ZINC000408034415	512987193	/nfs/dbraw/zinc/98/71/93/512987193.db2.gz	SWDWBWHOEQBLEA-NEPJUHHUSA-N	0	0	369.650	2.576	10	30		FFEERN
CO[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[C@@H]1C	ZINC000408258652	513033161	/nfs/dbraw/zinc/03/31/61/513033161.db2.gz	ZIKOBUQBWVNXQT-ZSZQSSIHSA-N	0	0	374.460	2.733	10	30		FFEERN
CC(C)(C)c1nsc(N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)n1	ZINC000408363168	513052264	/nfs/dbraw/zinc/05/22/64/513052264.db2.gz	UXIKRRUORUECNM-BBATYDOGSA-N	0	0	353.451	2.685	10	30		FFEERN
N#Cc1c(Br)cc(I)cc1[N+](=O)[O-]	ZINC000575693194	518250624	/nfs/dbraw/zinc/25/06/24/518250624.db2.gz	XOLYKDHKWJHPHS-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
CCOC(=O)c1cc(C#N)c(OC(F)F)cc1I	ZINC000575386075	518208748	/nfs/dbraw/zinc/20/87/48/518208748.db2.gz	JLMWFSJZRQJXOV-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
COC(=O)c1c(I)c(C#N)ccc1OC(F)F	ZINC000575386567	518208738	/nfs/dbraw/zinc/20/87/38/518208738.db2.gz	ZGBNRALEECBURJ-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
CC(C)c1noc([C@H](NC(=O)c2cccc(C#N)c2)C2CCOCC2)n1	ZINC000275311770	519911795	/nfs/dbraw/zinc/91/17/95/519911795.db2.gz	NSWRPJCIEFWDTO-MRXNPFEDSA-N	0	0	354.410	2.962	10	30		FFEERN
CCOc1ccc(S(=O)(=O)N/N=C(\C)Cc2ccc(OC)cc2)cc1	ZINC000004863912	521191392	/nfs/dbraw/zinc/19/13/92/521191392.db2.gz	FLBUEFCBDKWYKN-XMHGGMMESA-N	0	0	362.451	2.991	10	30		FFEERN
C[C@H]1CC[C@H](NC(=O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)CC1	ZINC000328619787	524377920	/nfs/dbraw/zinc/37/79/20/524377920.db2.gz	GFFWQYFPDGSLQT-JFIYKMOQSA-N	0	0	373.501	2.943	10	30		FFEERN
O=C(CSc1nc(N=NCc2ccc(O)cc2O)n[nH]1)c1ccccc1	ZINC000006337822	527085294	/nfs/dbraw/zinc/08/52/94/527085294.db2.gz	LQWNSONOGRDTOD-GIJQJNRQSA-N	0	0	369.406	2.637	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000046490937	536879178	/nfs/dbraw/zinc/87/91/78/536879178.db2.gz	WZAKRTUBGTXHBP-DLBZAZTESA-N	0	0	358.438	2.896	10	30		FFEERN
C[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)O1	ZINC000121330582	728624530	/nfs/dbraw/zinc/62/45/30/728624530.db2.gz	VNEFMOWFORZDEB-JLLWLGSASA-N	0	0	357.435	2.607	10	30		FFEERN
COCCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	ZINC000125097338	728678450	/nfs/dbraw/zinc/67/84/50/728678450.db2.gz	XSYUZXSUNZOOTL-ZYHUDNBSSA-N	0	0	373.236	2.622	10	30		FFEERN
C=CCn1c(-c2ccncc2)nn(CN2CCC([C@@H](C)O)CC2)c1=S	ZINC000173354482	729044970	/nfs/dbraw/zinc/04/49/70/729044970.db2.gz	UTTYDTLSZOFMRK-CQSZACIVSA-N	0	0	359.499	2.712	10	30		FFEERN
COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl	ZINC000246624917	729588641	/nfs/dbraw/zinc/58/86/41/729588641.db2.gz	NJQHHMZUVKQICF-YNEHKIRRSA-N	0	0	369.248	2.958	10	30		FFEERN
C[C@@H]1CN([C@H](CNC(=O)C#Cc2ccccc2)c2cccs2)CCO1	ZINC000246800994	729590680	/nfs/dbraw/zinc/59/06/80/729590680.db2.gz	JUKLVHQJOKVTHM-SJLPKXTDSA-N	0	0	354.475	2.678	10	30		FFEERN
CC(C)c1nc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cs1	ZINC000328937296	729795715	/nfs/dbraw/zinc/79/57/15/729795715.db2.gz	RDHIGERIODXOOL-UHFFFAOYSA-N	0	0	364.515	2.515	10	30		FFEERN
CCC1CCC(NC(=O)N2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)CC1	ZINC000329122452	729796455	/nfs/dbraw/zinc/79/64/55/729796455.db2.gz	KWSAYQZZOKUPSJ-GQGLESIBSA-N	0	0	351.491	2.581	10	30		FFEERN
Cc1nn(C)cc1[C@H]1OCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N	ZINC000886040563	733742517	/nfs/dbraw/zinc/74/25/17/733742517.db2.gz	SCNHGFWQBPVGGV-GXTWGEPZSA-N	0	0	351.332	2.956	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@@H](CNc2cccc(Cl)c2C#N)[C@H](O)C1	ZINC000705692499	734361100	/nfs/dbraw/zinc/36/11/00/734361100.db2.gz	VRVHOFPTGZZAIR-IAQYHMDHSA-N	0	0	351.834	2.851	10	30		FFEERN
Cc1cccnc1/C=C\C(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000588452595	965203146	/nfs/dbraw/zinc/20/31/46/965203146.db2.gz	XJMOKIOWLRJTJP-ALCCZGGFSA-N	0	0	350.397	2.763	10	30		FFEERN
C[C@H](NC(=O)N1CCN(c2nc3ccccc3o2)CC1)[C@@H]1CCCCO1	ZINC000329225092	967562515	/nfs/dbraw/zinc/56/25/15/967562515.db2.gz	FYSYJYLKISGBRH-HOCLYGCPSA-N	0	0	358.442	2.821	10	30		FFEERN
C[C@@H]1CN(c2ccccc2NC(=O)N2CCc3cncnc3C2)C[C@@H](C)O1	ZINC000329265688	967599186	/nfs/dbraw/zinc/59/91/86/967599186.db2.gz	FJGJHTQOYXIUIE-HUUCEWRRSA-N	0	0	367.453	2.694	10	30		FFEERN
Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCCN(c2cccnn2)CC1	ZINC000329439767	967711031	/nfs/dbraw/zinc/71/10/31/967711031.db2.gz	AZGGZTWYEZIOBW-KRWDZBQOSA-N	0	0	367.453	2.653	10	30		FFEERN
Cc1ccc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)cc1S(N)(=O)=O	ZINC000329590513	967827334	/nfs/dbraw/zinc/82/73/34/967827334.db2.gz	TVEXNIKTKXVCFS-BEFAXECRSA-N	0	0	372.446	2.971	10	30		FFEERN
Cc1nnc2n1C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1)CC2	ZINC000329650062	967912737	/nfs/dbraw/zinc/91/27/37/967912737.db2.gz	KIKWJNIMBGLIQZ-GVDBMIGSSA-N	0	0	373.501	2.534	10	30		FFEERN
CNC(=O)c1cccc(OCc2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)c1	ZINC000329703315	967955293	/nfs/dbraw/zinc/95/52/93/967955293.db2.gz	IGHWAWWOAISDKV-HOCLYGCPSA-N	0	0	372.425	2.509	10	30		FFEERN
CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2ccc(C#N)cn2)C1	ZINC000108220891	1005620587	/nfs/dbraw/zinc/62/05/87/1005620587.db2.gz	CICBMGHFOWCUDP-AWEZNQCLSA-N	0	0	358.442	2.720	10	30		FFEERN
Cc1nnc([C@@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)c2ccccc2)[nH]1	ZINC000103281249	250142689	/nfs/dbraw/zinc/14/26/89/250142689.db2.gz	KLNPCSGCVDGSFU-ACJLOTCBSA-N	0	0	361.405	2.658	10	30		FFEERN
NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(F)cc2)S1	ZINC000006223195	207134918	/nfs/dbraw/zinc/13/49/18/207134918.db2.gz	WQVHHBOAKINKDP-XAIYEJPOSA-N	0	0	357.410	2.833	10	30		FFEERN
Cc1nnc([C@H]2CN(C(=O)c3ccccc3-c3ccccc3C#N)CCO2)[nH]1	ZINC000173516540	251197165	/nfs/dbraw/zinc/19/71/65/251197165.db2.gz	KSFKUAYIUBOYJW-LJQANCHMSA-N	0	0	373.416	2.866	10	30		FFEERN
NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O	ZINC000033514049	208094623	/nfs/dbraw/zinc/09/46/23/208094623.db2.gz	NPLOLFRDGRYIIF-CHHVJCJISA-N	0	0	374.190	2.929	10	30		FFEERN
N#CCN(CC#N)c1ncnc(Nc2cccc3cccnc32)c1[N+](=O)[O-]	ZINC000040617911	208258899	/nfs/dbraw/zinc/25/88/99/208258899.db2.gz	GIHCYJBRABBUDG-UHFFFAOYSA-N	0	0	360.337	2.530	10	30		FFEERN
Cc1cc(NC(=O)C2CCN(c3snc(Cl)c3C#N)CC2)no1	ZINC000301231725	258035650	/nfs/dbraw/zinc/03/56/50/258035650.db2.gz	JRHWOTDHMBIZEM-UHFFFAOYSA-N	0	0	351.819	2.820	10	30		FFEERN
C[C@@H]1CN([C@H](CNc2nccnc2C#N)c2c(F)cccc2F)C[C@@H](C)O1	ZINC000301269948	258039084	/nfs/dbraw/zinc/03/90/84/258039084.db2.gz	HIWRPRNIIXNRJU-PBFPGSCMSA-N	0	0	373.407	2.889	10	30		FFEERN
CC(C)OC(=O)c1cccnc1N1CCCN(c2ncccc2C#N)CC1	ZINC000302214703	258095905	/nfs/dbraw/zinc/09/59/05/258095905.db2.gz	IPCJTMKJKQSLIH-UHFFFAOYSA-N	0	0	365.437	2.630	10	30		FFEERN
Cc1ccc(C)c(S(=O)(=O)NCCNc2cc(C)nc(C)c2C#N)c1	ZINC000301754913	258066237	/nfs/dbraw/zinc/06/62/37/258066237.db2.gz	CUUBLHIGBZZFAO-UHFFFAOYSA-N	0	0	358.467	2.577	10	30		FFEERN
COc1cc(C(=O)N2CCN(c3cc(C)nc(C)c3C#N)CC2)ccc1C	ZINC000301758399	258066582	/nfs/dbraw/zinc/06/65/82/258066582.db2.gz	FCTDNHUULDUJOD-UHFFFAOYSA-N	0	0	364.449	2.850	10	30		FFEERN
COC(=O)[C@@H](O)C1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1	ZINC000301768265	258066601	/nfs/dbraw/zinc/06/66/01/258066601.db2.gz	IRPBARACYWAUQL-KRWDZBQOSA-N	0	0	359.813	2.510	10	30		FFEERN
N#Cc1cccc([C@@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)CCO2)c1	ZINC000330167952	258157456	/nfs/dbraw/zinc/15/74/56/258157456.db2.gz	WDODAKALSAGBNF-SLFFLAALSA-N	0	0	363.417	2.631	10	30		FFEERN
N#Cc1ccc(N2CC[C@H](C(=O)N3CCO[C@H]4CCCC[C@H]43)C2)c(F)c1	ZINC000329324108	258135335	/nfs/dbraw/zinc/13/53/35/258135335.db2.gz	SGJOJGFLXFKCBK-IPELMVKDSA-N	0	0	357.429	2.694	10	30		FFEERN
N#Cc1cccc(OC2CCN(S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)CC2)c1	ZINC000333109961	258250583	/nfs/dbraw/zinc/25/05/83/258250583.db2.gz	DUDBEYSYHCOBLA-ALKREAHSSA-N	0	0	360.479	2.920	10	30		FFEERN
COC(=O)c1c(C#N)c(I)ccc1C(F)(F)F	ZINC000575392673	518209338	/nfs/dbraw/zinc/20/93/38/518209338.db2.gz	LXDIMMDAMBHEIR-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
COC(=O)Cc1c(I)ccc(C#N)c1C(F)(F)F	ZINC000575392098	518209391	/nfs/dbraw/zinc/20/93/91/518209391.db2.gz	BGDUSUZMWKDYMM-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
COC(=O)c1cc(I)cc(C(F)(F)F)c1C#N	ZINC000575392256	518209411	/nfs/dbraw/zinc/20/94/11/518209411.db2.gz	FZMFZWZHAZSLRT-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1	ZINC000067414205	506869620	/nfs/dbraw/zinc/86/96/20/506869620.db2.gz	MWBKUHZLEISUEV-MRXNPFEDSA-N	0	0	369.808	2.985	10	30		FFEERN
COc1cc(Oc2nc[nH]c(=O)c2C=CC(C)=O)c(C(C)=O)cc1OC	ZINC000072177721	507770253	/nfs/dbraw/zinc/77/02/53/507770253.db2.gz	MDESGINMMFGHJL-AATRIKPKSA-N	0	0	358.350	2.797	10	30		FFEERN
Cc1cccc(CNC(=O)C(=O)Nc2ccccc2SCCC#N)n1	ZINC000108610833	507908309	/nfs/dbraw/zinc/90/83/09/507908309.db2.gz	PIONQKHRUXYFMZ-UHFFFAOYSA-N	0	0	354.435	2.651	10	30		FFEERN
N#C[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1	ZINC000108834462	507921104	/nfs/dbraw/zinc/92/11/04/507921104.db2.gz	WTEYHGSOWRRDTC-RISCZKNCSA-N	0	0	352.221	2.765	10	30		FFEERN
N#CCOc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)cc1	ZINC000074873758	508066108	/nfs/dbraw/zinc/06/61/08/508066108.db2.gz	MXORCEGOXWYFMQ-MSOLQXFVSA-N	0	0	353.426	2.769	10	30		FFEERN
COc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc(C#N)c2)cc1OC	ZINC000075791101	508134014	/nfs/dbraw/zinc/13/40/14/508134014.db2.gz	RBVUXUFYRWMLAA-CYBMUJFWSA-N	0	0	360.435	2.756	10	30		FFEERN
COc1cc(Cl)cc([C@@H](C#Cc2cncnc2)N2CCOCC2)c1OC	ZINC000096179610	508209537	/nfs/dbraw/zinc/20/95/37/508209537.db2.gz	GFDZIQUIMKJFTM-QGZVFWFLSA-N	0	0	373.840	2.572	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)ccc1F	ZINC000103160665	508299595	/nfs/dbraw/zinc/29/95/95/508299595.db2.gz	UZIINVXBDGPKHX-MRXNPFEDSA-N	0	0	374.393	2.952	10	30		FFEERN
Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c1C#N	ZINC000127262667	508423044	/nfs/dbraw/zinc/42/30/44/508423044.db2.gz	YHCPYBYPLSHAHT-OAHLLOKOSA-N	0	0	367.409	2.675	10	30		FFEERN
N#CCSc1ccccc1NC(=O)CN1CC[C@H](Oc2cccnc2)C1	ZINC000152470665	508452751	/nfs/dbraw/zinc/45/27/51/508452751.db2.gz	UKGIDRRYNLABCB-INIZCTEOSA-N	0	0	368.462	2.789	10	30		FFEERN
Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H](c3cnn(C)c3)C2)cc1C	ZINC000116317757	508498193	/nfs/dbraw/zinc/49/81/93/508498193.db2.gz	KONKGMDEMCONLV-SFHVURJKSA-N	0	0	365.481	2.773	10	30		FFEERN
CCOc1cc(C#N)cc(Br)c1OC[C@@H](O)COC(C)C	ZINC000153409005	508579732	/nfs/dbraw/zinc/57/97/32/508579732.db2.gz	JXPKTDNSQYQMAT-LBPRGKRZSA-N	0	0	358.232	2.884	10	30		FFEERN
CCOCCN1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C	ZINC000117448817	508599209	/nfs/dbraw/zinc/59/92/09/508599209.db2.gz	OBHXETCJAPIXKD-INIZCTEOSA-N	0	0	374.485	2.920	10	30		FFEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000157807333	508614736	/nfs/dbraw/zinc/61/47/36/508614736.db2.gz	WGTVGDXWJUWXQV-OAHLLOKOSA-N	0	0	354.414	2.902	10	30		FFEERN
C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc2ccccc2c1	ZINC000123488621	508694277	/nfs/dbraw/zinc/69/42/77/508694277.db2.gz	DSNOUVXCXUFQOX-AWEZNQCLSA-N	0	0	361.405	2.766	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2)cc1C(F)(F)F	ZINC000158463173	508707432	/nfs/dbraw/zinc/70/74/32/508707432.db2.gz	LBTVTHMLGQQSLK-OAHLLOKOSA-N	0	0	370.352	2.589	10	30		FFEERN
N#Cc1cccc(CS(=O)(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1	ZINC000123882551	508753365	/nfs/dbraw/zinc/75/33/65/508753365.db2.gz	AWWHQWXXKWGJNC-PMACEKPBSA-N	0	0	370.474	2.976	10	30		FFEERN
Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC000154571880	508811962	/nfs/dbraw/zinc/81/19/62/508811962.db2.gz	APRFNNASZCTCNJ-XJKSGUPXSA-N	0	0	355.442	2.765	10	30		FFEERN
CC(C)(C)C(O)=C1C(=O)C(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1cc[nH]n1	ZINC000148745568	508865285	/nfs/dbraw/zinc/86/52/85/508865285.db2.gz	YVXMIYRPEXQEKD-OAHLLOKOSA-N	0	0	365.393	2.801	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1	ZINC000131547824	508947966	/nfs/dbraw/zinc/94/79/66/508947966.db2.gz	SWVJONXMAIDANN-UHFFFAOYSA-N	0	0	362.389	2.605	10	30		FFEERN
N#Cc1ccccc1NC(=O)CCCC(=O)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000151098163	508955833	/nfs/dbraw/zinc/95/58/33/508955833.db2.gz	QMBIYKKQEHRLJB-ZWKOTPCHSA-N	0	0	355.438	2.837	10	30		FFEERN
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCO[C@@H](c3ccco3)C2)cc1	ZINC000151593864	509049723	/nfs/dbraw/zinc/04/97/23/509049723.db2.gz	VUBFYDAUMDEJIG-QGZVFWFLSA-N	0	0	367.405	2.619	10	30		FFEERN
C=CCOc1ccc(CN2CCN([C@H](C)c3nc(C)no3)CC2)cc1OC	ZINC000121300659	509164476	/nfs/dbraw/zinc/16/44/76/509164476.db2.gz	AGAYKLQJCUDSDG-OAHLLOKOSA-N	0	0	372.469	2.830	10	30		FFEERN
C#CCCCCC(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000192158274	509378554	/nfs/dbraw/zinc/37/85/54/509378554.db2.gz	KPZNLBDBHGNYGN-KRWDZBQOSA-N	0	0	350.503	2.835	10	30		FFEERN
N#CCSc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1	ZINC000164300537	509486875	/nfs/dbraw/zinc/48/68/75/509486875.db2.gz	RWTYXJDQGYVDMM-YJBOKZPZSA-N	0	0	369.490	2.918	10	30		FFEERN
C[C@@H](C(=O)N(C)c1cc(Cl)ccc1C#N)N1C(=O)c2ccccc2C1=O	ZINC000176433964	509507502	/nfs/dbraw/zinc/50/75/02/509507502.db2.gz	CVINXSKROPSDQO-NSHDSACASA-N	0	0	367.792	2.859	10	30		FFEERN
C[C@@H](C(=O)OC(C)(C)C)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192611464	509566196	/nfs/dbraw/zinc/56/61/96/509566196.db2.gz	VPHVYHSJNYUOOV-WMLDXEAASA-N	0	0	357.454	2.716	10	30		FFEERN
C=CCCCCCN(C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O	ZINC000173562821	509652729	/nfs/dbraw/zinc/65/27/29/509652729.db2.gz	MHBHRCNRAOVEEU-INIZCTEOSA-N	0	0	361.490	2.612	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@H]12	ZINC000183250732	509679715	/nfs/dbraw/zinc/67/97/15/509679715.db2.gz	VYHOQGIMAKPKMR-IXDOHACOSA-N	0	0	355.438	2.934	10	30		FFEERN
CCO[C@H]1C[C@H](Nc2cnn(-c3ncccc3C#N)c2)C12CCOCC2	ZINC000186506346	509744593	/nfs/dbraw/zinc/74/45/93/509744593.db2.gz	RIUNHRQMFCRSRF-IRXDYDNUSA-N	0	0	353.426	2.525	10	30		FFEERN
CC(=NNS(=O)(=O)c1ccc2ccccc2c1)c1cc(O)ccc1O	ZINC000254505238	509907556	/nfs/dbraw/zinc/90/75/56/509907556.db2.gz	ZMBCRDIFSBKGKR-UHFFFAOYSA-N	0	0	356.403	2.954	10	30		FFEERN
O=c1c(C=NNS(=O)(=O)c2ccccc2)coc2ccc(Cl)cc12	ZINC000254515247	509907603	/nfs/dbraw/zinc/90/76/03/509907603.db2.gz	YEBBASQLMSFHSN-UHFFFAOYSA-N	0	0	362.794	2.759	10	30		FFEERN
N#Cc1nn(-c2ccccc2Cl)nc1N(CCO)Cc1ccccc1	ZINC000256045998	509942964	/nfs/dbraw/zinc/94/29/64/509942964.db2.gz	CDQXHLFXQHPTAT-UHFFFAOYSA-N	0	0	353.813	2.791	10	30		FFEERN
N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	ZINC000171108568	509949391	/nfs/dbraw/zinc/94/93/91/509949391.db2.gz	LXXVZRQCDMVGFO-UONOGXRCSA-N	0	0	353.344	2.525	10	30		FFEERN
COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000245466178	509952622	/nfs/dbraw/zinc/95/26/22/509952622.db2.gz	YWPXUGAOBCXTAQ-ZACQAIPSSA-N	0	0	366.421	2.914	10	30		FFEERN
CS(=O)(=O)N1CCc2c1cccc2NC(=O)/C=C/c1cccc(C#N)c1	ZINC000183864559	510012564	/nfs/dbraw/zinc/01/25/64/510012564.db2.gz	QIULASBXZXOEQV-CMDGGOBGSA-N	0	0	367.430	2.532	10	30		FFEERN
N#Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)ccn1	ZINC000193671105	510014582	/nfs/dbraw/zinc/01/45/82/510014582.db2.gz	BGNLCAIRTBEKKV-CVEARBPZSA-N	0	0	361.323	2.920	10	30		FFEERN
N#CCOc1ccc(CC(=O)N2CCC(Nc3nccs3)CC2)cc1	ZINC000190381295	510097620	/nfs/dbraw/zinc/09/76/20/510097620.db2.gz	USHZHVXNXMFIEW-UHFFFAOYSA-N	0	0	356.451	2.691	10	30		FFEERN
C=CCCOCCNC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21	ZINC000184036009	510099415	/nfs/dbraw/zinc/09/94/15/510099415.db2.gz	KREGVZLMFOIAHC-SFHVURJKSA-N	0	0	363.433	2.511	10	30		FFEERN
C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCCn3ncnc32)cc1OC	ZINC000177562241	510135581	/nfs/dbraw/zinc/13/55/81/510135581.db2.gz	SSSUIMUXLAUGIQ-HEWZJLJBSA-N	0	0	354.410	2.516	10	30		FFEERN
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCO[C@@H](c2nccs2)C1	ZINC000246118191	510303171	/nfs/dbraw/zinc/30/31/71/510303171.db2.gz	KPGFEELKFKFXSW-DOTOQJQBSA-N	0	0	370.478	2.852	10	30		FFEERN
COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1cnn(C)c1	ZINC000184606704	510413651	/nfs/dbraw/zinc/41/36/51/510413651.db2.gz	LHJPISFVTNTAIN-KRWDZBQOSA-N	0	0	369.425	2.686	10	30		FFEERN
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)NCc1ccc(C#N)cc1	ZINC000175153680	510507663	/nfs/dbraw/zinc/50/76/63/510507663.db2.gz	TZUNMWYSSIUWLM-INIZCTEOSA-N	0	0	358.442	2.757	10	30		FFEERN
Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)cs1	ZINC000188025542	510556040	/nfs/dbraw/zinc/55/60/40/510556040.db2.gz	ZVODMDQYJWFXBK-HNNXBMFYSA-N	0	0	351.428	2.988	10	30		FFEERN
COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C#N)cc1OC	ZINC000178515060	510640732	/nfs/dbraw/zinc/64/07/32/510640732.db2.gz	HHRIENWQJNSSTG-LLVKDONJSA-N	0	0	364.398	2.754	10	30		FFEERN
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccs2)cc1	ZINC000172504716	510759306	/nfs/dbraw/zinc/75/93/06/510759306.db2.gz	BCFQLLOJMDRHKU-LBPRGKRZSA-N	0	0	372.450	2.872	10	30		FFEERN
C=CCc1cc(CN2CCO[C@H](c3cnn(CC)c3)C2)cc(OC)c1O	ZINC000191706492	510795133	/nfs/dbraw/zinc/79/51/33/510795133.db2.gz	JJQGFZPBTXYSNP-IBGZPJMESA-N	0	0	357.454	2.919	10	30		FFEERN
Cc1csc([C@H]2CN([C@@H](C)C(=O)Nc3ccccc3C#N)CCO2)n1	ZINC000195388630	510808084	/nfs/dbraw/zinc/80/80/84/510808084.db2.gz	KFRKTVKCIQNUOE-XJKSGUPXSA-N	0	0	356.451	2.724	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000185361824	510822500	/nfs/dbraw/zinc/82/25/00/510822500.db2.gz	XJQNRZAGGBPSMH-AWEZNQCLSA-N	0	0	370.453	2.720	10	30		FFEERN
CCC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC000329973500	510891366	/nfs/dbraw/zinc/89/13/66/510891366.db2.gz	YRCJZVLDDNPKFJ-HDMKZQKVSA-N	0	0	362.474	2.586	10	30		FFEERN
O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1CCO[C@@H]1c1cccnc1	ZINC000330062576	510908527	/nfs/dbraw/zinc/90/85/27/510908527.db2.gz	PIGXNCAZEDGDEE-IXDOHACOSA-N	0	0	353.426	2.575	10	30		FFEERN
C[C@]1(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)CCCNC1=O	ZINC000330294199	510959550	/nfs/dbraw/zinc/95/95/50/510959550.db2.gz	FBXMIZQAWVSONI-QRWLVFNGSA-N	0	0	357.454	2.986	10	30		FFEERN
CC(C)C(=O)N[C@H]1CCCN(c2ccc(C(=O)NC3CCCC3)nn2)C1	ZINC000330356989	510973532	/nfs/dbraw/zinc/97/35/32/510973532.db2.gz	SIJHGWXYZAMKOW-HNNXBMFYSA-N	0	0	359.474	2.730	10	30		FFEERN
N#Cc1cc(I)cc(F)c1I	ZINC000306639476	511764579	/nfs/dbraw/zinc/76/45/79/511764579.db2.gz	HTZGLKRKIUDWLH-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCO[C@]3(CCSC3)C1)CCC2	ZINC000328638501	511902449	/nfs/dbraw/zinc/90/24/49/511902449.db2.gz	BPCZBZKOAIADLJ-HDMKZQKVSA-N	0	0	364.515	2.627	10	30		FFEERN
CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C([O-])=[NH+]C[C@H]1CCCCO1	ZINC000328636906	511903198	/nfs/dbraw/zinc/90/31/98/511903198.db2.gz	VUELODNFOUYZAR-QWHCGFSZSA-N	0	0	374.407	2.879	10	30		FFEERN
O=C(N[C@H]1CCC(=O)NC12CCC2)NC1(c2ccc3c(c2)OCO3)CC1	ZINC000328724514	511921039	/nfs/dbraw/zinc/92/10/39/511921039.db2.gz	YOTGJUATEARSIE-HNNXBMFYSA-N	0	0	357.410	2.950	10	30		FFEERN
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)C(=O)N1c1ccccc1	ZINC000328736276	511923372	/nfs/dbraw/zinc/92/33/72/511923372.db2.gz	JOCPLXWNHBYXSI-VNQPRFMTSA-N	0	0	370.453	2.726	10	30		FFEERN
Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000328942202	511953915	/nfs/dbraw/zinc/95/39/15/511953915.db2.gz	LGBPQEKRWRBUIQ-CKEIUWERSA-N	0	0	371.485	2.963	10	30		FFEERN
O=C(Nc1csc2ccccc12)N1CCC[C@@](O)(C(=O)N2CCCC2)C1	ZINC000328948287	511954271	/nfs/dbraw/zinc/95/42/71/511954271.db2.gz	GZBOSZVKRHNYKH-IBGZPJMESA-N	0	0	373.478	2.896	10	30		FFEERN
C[C@H](NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)c1nnc2n1CCCC2	ZINC000328968294	511958801	/nfs/dbraw/zinc/95/88/01/511958801.db2.gz	NTCAENWKSZQUIT-WOSRLPQWSA-N	0	0	358.446	2.533	10	30		FFEERN
O=C(CN1CCO[C@@H](c2nccs2)C1)Nc1nc2c(s1)CCC2	ZINC000328995480	511963854	/nfs/dbraw/zinc/96/38/54/511963854.db2.gz	JQQDEJGRLDJQFQ-LLVKDONJSA-N	0	0	350.469	2.750	10	30		FFEERN
O=C(CN1CCn2ccnc2C1)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000329030253	511971017	/nfs/dbraw/zinc/97/10/17/511971017.db2.gz	WWIOSYVADYMBLJ-UHFFFAOYSA-N	0	0	357.458	2.538	10	30		FFEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)CNC(=O)C3CCCCC3)C2)n1	ZINC000329340644	512030313	/nfs/dbraw/zinc/03/03/13/512030313.db2.gz	RRPMOHYPSVJGRD-INIZCTEOSA-N	0	0	361.490	2.670	10	30		FFEERN
O=C(N[C@@H]1CCCOc2ccc(F)cc21)N1CCO[C@@H](Cn2cccn2)C1	ZINC000329421303	512043119	/nfs/dbraw/zinc/04/31/19/512043119.db2.gz	FKSAAACDPDUBMN-NVXWUHKLSA-N	0	0	374.416	2.551	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCCCN3C(=O)C(C)C)C2)nn1	ZINC000329572223	512072232	/nfs/dbraw/zinc/07/22/32/512072232.db2.gz	JBKFUEDJSQSGNG-DLBZAZTESA-N	0	0	373.501	2.747	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C[C@@H]21	ZINC000329582928	512073002	/nfs/dbraw/zinc/07/30/02/512073002.db2.gz	QKZNCXCRYBKLEG-QWHCGFSZSA-N	0	0	364.515	2.707	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N[C@H]2CCCCC23CCCC3)CC(=O)N1C	ZINC000329604212	512075017	/nfs/dbraw/zinc/07/50/17/512075017.db2.gz	GSUXZAGMOIKCKX-UWWQBHOKSA-N	0	0	373.501	2.699	10	30		FFEERN
Cc1cc(N2CCC[C@H](NC(=O)N3Cc4ccccc4[C@H]3C)C2=O)n(C)n1	ZINC000329612676	512077851	/nfs/dbraw/zinc/07/78/51/512077851.db2.gz	CNLWEPJXDTVIJN-PBHICJAKSA-N	0	0	367.453	2.715	10	30		FFEERN
O=C(N[C@@H]1c2ccccc2CC12CCOCC2)N1CCc2cncnc2C1	ZINC000329629653	512079409	/nfs/dbraw/zinc/07/94/09/512079409.db2.gz	VDEKTRXWPBLSBC-LJQANCHMSA-N	0	0	364.449	2.843	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)C(F)(F)F	ZINC000329782256	512097009	/nfs/dbraw/zinc/09/70/09/512097009.db2.gz	UCLFROGQRIWRFB-UNJBNNCHSA-N	0	0	361.364	2.648	10	30		FFEERN
CC(C)(O)[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000408212457	513021803	/nfs/dbraw/zinc/02/18/03/513021803.db2.gz	WRUMJQCWEHBMNS-MAUKXSAKSA-N	0	0	374.460	2.611	10	30		FFEERN
N#Cc1cccc(-c2cc(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)on2)c1	ZINC000408269261	513035971	/nfs/dbraw/zinc/03/59/71/513035971.db2.gz	CAQOZRNEUACPBN-UZLBHIALSA-N	0	0	351.406	2.980	10	30		FFEERN
COC(=O)c1cc(C#N)cc(I)c1OC(F)F	ZINC000575386101	518208666	/nfs/dbraw/zinc/20/86/66/518208666.db2.gz	LGQGIKLNLOCJJR-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
N#CCc1c([N+](=O)[O-])ccc(I)c1OC(F)F	ZINC000575667790	518245618	/nfs/dbraw/zinc/24/56/18/518245618.db2.gz	QEQKBDUGGDTAJV-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
CC(C)c1noc([C@@H](NC(=O)c2cccc(C#N)c2)C2CCOCC2)n1	ZINC000275311768	519909840	/nfs/dbraw/zinc/90/98/40/519909840.db2.gz	NSWRPJCIEFWDTO-INIZCTEOSA-N	0	0	354.410	2.962	10	30		FFEERN
C=CCO[C@@H]1[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@H](OC)[C@H]1OCC=C	ZINC000616587460	520069447	/nfs/dbraw/zinc/06/94/47/520069447.db2.gz	FMKYMGOFTWEBLP-XGXHKTLJSA-N	0	0	362.422	2.614	10	30		FFEERN
CC(C)[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000048096015	728043065	/nfs/dbraw/zinc/04/30/65/728043065.db2.gz	YYGKJAUBFTYIAY-MMOSJZJFSA-N	0	0	366.487	2.665	10	30		FFEERN
N#CCOc1cc(F)ccc1NC(=O)N1CCO[C@@H](c2nccs2)C1	ZINC000135325732	728737603	/nfs/dbraw/zinc/73/76/03/728737603.db2.gz	OSQAKUJHVJRENX-CQSZACIVSA-N	0	0	362.386	2.790	10	30		FFEERN
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCC(C#N)CC1	ZINC000173804964	729054380	/nfs/dbraw/zinc/05/43/80/729054380.db2.gz	ASRYLEPZTKVUMW-LSDHHAIUSA-N	0	0	350.463	2.625	10	30		FFEERN
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)OCC1(CC#N)CC1	ZINC000174742017	729078232	/nfs/dbraw/zinc/07/82/32/729078232.db2.gz	XSUYLFKSIPNLGV-OAHLLOKOSA-N	0	0	350.365	2.956	10	30		FFEERN
C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCCN1S(=O)(=O)CCC	ZINC000194223069	729503984	/nfs/dbraw/zinc/50/39/84/729503984.db2.gz	HMASFEPEZINZPD-QGZVFWFLSA-N	0	0	368.474	2.545	10	30		FFEERN
C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccs1	ZINC000194560609	729513342	/nfs/dbraw/zinc/51/33/42/729513342.db2.gz	NDKCQRQQPZTOER-GFCCVEGCSA-N	0	0	364.448	2.858	10	30		FFEERN
C=CCn1c(C(=O)N2CCN(C)CC2)cc2oc(Br)cc21	ZINC000223725581	729547157	/nfs/dbraw/zinc/54/71/57/729547157.db2.gz	LLTLASDNZWUJKW-UHFFFAOYSA-N	0	0	352.232	2.570	10	30		FFEERN
CN1CCO[C@H](CNC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C1	ZINC000329556802	729797989	/nfs/dbraw/zinc/79/79/89/729797989.db2.gz	QJZOAEFCFLVIEG-YGRLFVJLSA-N	0	0	358.269	2.815	10	30		FFEERN
O=C(NC1CCC(C(F)(F)F)CC1)N1CC(=O)N(CC(F)(F)F)C1	ZINC000330188466	729800139	/nfs/dbraw/zinc/80/01/39/729800139.db2.gz	UNHDQUTWLHYINO-UHFFFAOYSA-N	0	0	361.286	2.686	10	30		FFEERN
Cc1nc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Cl)cc1C#N	ZINC000702794648	734357654	/nfs/dbraw/zinc/35/76/54/734357654.db2.gz	HGFGQXOMIYEZGS-OCCSQVGLSA-N	0	0	366.849	2.555	10	30		FFEERN
CNS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2C)cc1	ZINC000588450104	845963615	/nfs/dbraw/zinc/96/36/15/845963615.db2.gz	UCRKEFJEWVKPKN-POHAHGRESA-N	0	0	360.391	2.707	10	30		FFEERN
C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000328780316	963823959	/nfs/dbraw/zinc/82/39/59/963823959.db2.gz	UJOKPVBNMSIPAI-AEFFLSMTSA-N	0	0	374.485	2.764	10	30		FFEERN
CC(C)C(=O)N[C@H]1CCCN(C(=O)Cc2nnc(-c3ccccc3)n2C)C1	ZINC000328909019	965043240	/nfs/dbraw/zinc/04/32/40/965043240.db2.gz	MMPCQHYADBKANX-INIZCTEOSA-N	0	0	369.469	2.628	10	30		FFEERN
C=CCCO[C@H](C)C(=O)OCc1cn(-c2ccc(C(F)(F)F)cn2)nn1	ZINC000102143763	966976168	/nfs/dbraw/zinc/97/61/68/966976168.db2.gz	HSPDKFMDDCUQCE-LLVKDONJSA-N	0	0	370.331	2.706	10	30		FFEERN
O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCc2cncnc2C1	ZINC000329239100	967574948	/nfs/dbraw/zinc/57/49/48/967574948.db2.gz	LRNJVPNKIAYSJI-UHFFFAOYSA-N	0	0	368.481	2.924	10	30		FFEERN
CC1(C)NC(=O)N(c2cccc(NC(=O)N[C@@H]3CCC[C@@H]3C#N)c2)C1=O	ZINC000329634253	967899401	/nfs/dbraw/zinc/89/94/01/967899401.db2.gz	SZOGHBNAHZTFSP-BXUZGUMPSA-N	0	0	355.398	2.553	10	30		FFEERN
CC1(C)C(=O)NC(=O)N1CC(=O)Nc1cccc(C(=O)N2CCCC2)c1	ZINC000329723885	967971347	/nfs/dbraw/zinc/97/13/47/967971347.db2.gz	CXRSALADSZVSPW-UHFFFAOYSA-N	0	0	358.398	2.681	10	30		FFEERN
CC(C)n1nnnc1-c1ccc(NC(=O)N[C@H]2CCC[C@H]2C#N)cc1F	ZINC000329732407	967982282	/nfs/dbraw/zinc/98/22/82/967982282.db2.gz	IUNXXMMJAMXMON-NHYWBVRUSA-N	0	0	357.393	2.887	10	30		FFEERN
N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1	ZINC000329965143	969454393	/nfs/dbraw/zinc/45/43/93/969454393.db2.gz	UXFLFPMKVLTOJE-XUWVNRHRSA-N	0	0	351.410	2.501	10	30		FFEERN
C#Cc1cccc(N(CC)C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c1	ZINC000103101903	1000028990	/nfs/dbraw/zinc/02/89/90/1000028990.db2.gz	GNWGYKNUCYYPKN-AWEZNQCLSA-N	0	0	374.437	2.527	10	30		FFEERN
C#CCN(Cc1cccc(OCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000108865787	1005747450	/nfs/dbraw/zinc/74/74/50/1005747450.db2.gz	JYWKWEDAZSYSKM-HXUWFJFHSA-N	0	0	369.486	2.888	10	30		FFEERN
C#CCN(Cc1ccc(F)cc1)C(=O)CN1C(=O)CSc2ccccc21	ZINC000109329571	1005815293	/nfs/dbraw/zinc/81/52/93/1005815293.db2.gz	WIGSRCGFAUWKTF-UHFFFAOYSA-N	0	0	368.433	2.926	10	30		FFEERN
NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1	ZINC000100421616	209213159	/nfs/dbraw/zinc/21/31/59/209213159.db2.gz	DWYNFRNZHHUBIS-VFOOBRQFSA-N	0	0	371.437	2.875	10	30		FFEERN
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(Cc2nccn2C)CC1	ZINC000106166337	250246059	/nfs/dbraw/zinc/24/60/59/250246059.db2.gz	MUOMSHZUFPGBRN-HNNXBMFYSA-N	0	0	351.454	2.573	10	30		FFEERN
CC[C@@H](O)CN1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1	ZINC000106395149	250267504	/nfs/dbraw/zinc/26/75/04/250267504.db2.gz	FNEYDPDBLXIVLG-GOSISDBHSA-N	0	0	363.461	2.754	10	30		FFEERN
CC1(C)CC2=C(C(=O)C1)[C@](O)(C(F)(F)F)C(=O)N2Cc1ccccc1	ZINC000002471678	206917932	/nfs/dbraw/zinc/91/79/32/206917932.db2.gz	UHMFIHJNVPDKQO-QGZVFWFLSA-N	0	0	353.340	2.965	10	30		FFEERN
NS(=O)(=O)c1ccc(NN=Cc2ccccc2Br)cc1	ZINC000005754059	207115026	/nfs/dbraw/zinc/11/50/26/207115026.db2.gz	DHVASYAXQYJYCL-CXUHLZMHSA-N	0	0	354.229	2.543	10	30		FFEERN
Cc1nnc([C@@H]2CN(C(=O)c3ccccc3-c3ccccc3C#N)CCO2)[nH]1	ZINC000173516523	251196862	/nfs/dbraw/zinc/19/68/62/251196862.db2.gz	KSFKUAYIUBOYJW-IBGZPJMESA-N	0	0	373.416	2.866	10	30		FFEERN
CC(=O)c1ccc(C#N)cc1N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000302112805	258088518	/nfs/dbraw/zinc/08/85/18/258088518.db2.gz	QDGBULZGHRMNTC-HUUCEWRRSA-N	0	0	369.465	2.613	10	30		FFEERN
CC(=O)Nc1cccc(-n2c(C)nnc2Sc2cccc(C#N)n2)c1	ZINC000301812874	258068861	/nfs/dbraw/zinc/06/88/61/258068861.db2.gz	CBMUXGSRRWLOKX-UHFFFAOYSA-N	0	0	350.407	2.952	10	30		FFEERN
N#Cc1ccc(CN2CC[C@H](Nc3ncnc4c3CCCCC4)C2=O)cc1	ZINC000330187298	258158071	/nfs/dbraw/zinc/15/80/71/258158071.db2.gz	SWICDXZUBPGAJI-IBGZPJMESA-N	0	0	361.449	2.830	10	30		FFEERN
C=CCOc1ccc(/C=C2/SC(=S)N(N3CCOCC3)C2=O)cc1	ZINC000002241086	506274434	/nfs/dbraw/zinc/27/44/34/506274434.db2.gz	NNNBOIKCPUTZTJ-NTCAYCPXSA-N	0	0	362.476	2.700	10	30		FFEERN
CC(C)[C@@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000043069068	506693613	/nfs/dbraw/zinc/69/36/13/506693613.db2.gz	CLDAYOICDFMQHY-CYBMUJFWSA-N	0	0	372.448	2.742	10	30		FFEERN
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(C)C)cc1	ZINC000067320766	506826796	/nfs/dbraw/zinc/82/67/96/506826796.db2.gz	RKKPCOAPRCPMPP-OAHLLOKOSA-N	0	0	357.454	2.600	10	30		FFEERN
N#Cc1cccnc1N1CCCN(C(=O)NCCc2cccc(F)c2)CC1	ZINC000056575927	507048060	/nfs/dbraw/zinc/04/80/60/507048060.db2.gz	TZRMSORZNXXFFX-UHFFFAOYSA-N	0	0	367.428	2.557	10	30		FFEERN
CC[C@H](C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1	ZINC000015599208	507050698	/nfs/dbraw/zinc/05/06/98/507050698.db2.gz	KGIURHRTBIKLRX-ZDUSSCGKSA-N	0	0	357.435	2.887	10	30		FFEERN
C=CCOc1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1	ZINC000057368472	507246969	/nfs/dbraw/zinc/24/69/69/507246969.db2.gz	WRDPGKLOXWLYSW-ZDUSSCGKSA-N	0	0	350.374	2.875	10	30		FFEERN
C=C(C)CN(CC)C(=O)[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C	ZINC000024458003	507413307	/nfs/dbraw/zinc/41/33/07/507413307.db2.gz	KTOMHTYKIXDOPF-GOSISDBHSA-N	0	0	362.470	2.883	10	30		FFEERN
C=CCC[C@@H](CN1CCN(C(C)=O)CC1)Oc1cnc2ccccc2n1	ZINC000072425481	507788492	/nfs/dbraw/zinc/78/84/92/507788492.db2.gz	WBWAOTLJGPJXIT-KRWDZBQOSA-N	0	0	354.454	2.508	10	30		FFEERN
C=CCC[C@@H](CN(C)CC(=O)N(C)C)Oc1cc(C(F)(F)F)ccn1	ZINC000072433023	507790265	/nfs/dbraw/zinc/79/02/65/507790265.db2.gz	NDNIDJUXGZWWDW-AWEZNQCLSA-N	0	0	359.392	2.834	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2C)cc1	ZINC000052647443	507816798	/nfs/dbraw/zinc/81/67/98/507816798.db2.gz	SILMCXRMKGSFMP-OAHLLOKOSA-N	0	0	365.433	2.727	10	30		FFEERN
N#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1	ZINC000108836053	507921371	/nfs/dbraw/zinc/92/13/71/507921371.db2.gz	KJNSNHLCBNVGNM-QGZVFWFLSA-N	0	0	373.409	2.658	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1	ZINC000090501964	507923744	/nfs/dbraw/zinc/92/37/44/507923744.db2.gz	VCEXYUYHTFKJOC-YVNCXZRQSA-N	0	0	359.429	2.879	10	30		FFEERN
CCCCCCCC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1	ZINC000109000259	507930915	/nfs/dbraw/zinc/93/09/15/507930915.db2.gz	ROHBQVYFDMKBMB-UHFFFAOYSA-N	0	0	351.535	2.750	10	30		FFEERN
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1	ZINC000109502824	507966315	/nfs/dbraw/zinc/96/63/15/507966315.db2.gz	HYLIOTPKBUEGPB-ZDUSSCGKSA-N	0	0	360.373	2.715	10	30		FFEERN
N#Cc1c(NC(=O)Cc2ccc(OC(F)(F)F)cc2)nc2n1CCS2	ZINC000109726903	507983585	/nfs/dbraw/zinc/98/35/85/507983585.db2.gz	YCOWXVFYCWQRKX-UHFFFAOYSA-N	0	0	368.340	2.940	10	30		FFEERN
CCc1nn(Cc2ncc(-c3ccc(OC)cc3)o2)c(=O)c(C#N)c1CC	ZINC000110147111	508010708	/nfs/dbraw/zinc/01/07/08/508010708.db2.gz	VCFFDRWADQTWKF-UHFFFAOYSA-N	0	0	364.405	2.952	10	30		FFEERN
CCc1nccn1[C@H]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)C1	ZINC000110728208	508044670	/nfs/dbraw/zinc/04/46/70/508044670.db2.gz	BAIMFSKOLHSDGS-KRWDZBQOSA-N	0	0	352.438	2.754	10	30		FFEERN
C[C@H](c1ccccc1)N1C[C@H](C(=O)NCc2cc(C#N)ccc2F)CC1=O	ZINC000080775675	508102770	/nfs/dbraw/zinc/10/27/70/508102770.db2.gz	DXGQFVSIZAYJNB-RDTXWAMCSA-N	0	0	365.408	2.923	10	30		FFEERN
Cc1ccc2[nH]c(CO[C@H]3CN(c4ccc(C#N)cn4)C[C@H]3F)nc2c1	ZINC000096112366	508206928	/nfs/dbraw/zinc/20/69/28/508206928.db2.gz	NVTRMAMBWJAXLX-PBHICJAKSA-N	0	0	351.385	2.882	10	30		FFEERN
COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)c(F)c2)cc1	ZINC000096271026	508213148	/nfs/dbraw/zinc/21/31/48/508213148.db2.gz	QBCRLDPMQHPGIM-QGZVFWFLSA-N	0	0	353.393	2.831	10	30	in-vitro	FFEERN
N#C[C@@H]1CN(C(=O)N[C@@H]2COc3ccccc32)CCN1Cc1ccccc1	ZINC000114592809	508328845	/nfs/dbraw/zinc/32/88/45/508328845.db2.gz	UMCNWJSGKLOTTR-IEBWSBKVSA-N	0	0	362.433	2.540	10	30		FFEERN
CN(CC#N)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl	ZINC000104347178	508332836	/nfs/dbraw/zinc/33/28/36/508332836.db2.gz	YCCCNTDNCJEREB-SFHVURJKSA-N	0	0	367.836	2.889	10	30		FFEERN
Cc1cnn(C[C@@H]2CN(Cc3cccc(OCCCC#N)c3)CCO2)c1	ZINC000122398167	508528722	/nfs/dbraw/zinc/52/87/22/508528722.db2.gz	KPQWHCRAPLIHNA-FQEVSTJZSA-N	0	0	354.454	2.775	10	30		FFEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2)n1	ZINC000116777380	508559960	/nfs/dbraw/zinc/55/99/60/508559960.db2.gz	TZQFGQGUCKSDQZ-IBGZPJMESA-N	0	0	351.454	2.638	10	30		FFEERN
N#Cc1ccc(OC2CN(C(=O)N[C@H]3CCCC[C@@H]3n3cccn3)C2)cc1	ZINC000153288871	508568596	/nfs/dbraw/zinc/56/85/96/508568596.db2.gz	JHZQFPJXAWKBMB-OALUTQOASA-N	0	0	365.437	2.711	10	30		FFEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](c2nccs2)C1	ZINC000157585877	508584177	/nfs/dbraw/zinc/58/41/77/508584177.db2.gz	WJOJBJHTVUUPSD-LLVKDONJSA-N	0	0	351.428	2.722	10	30		FFEERN
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cccnc1	ZINC000141532929	508816237	/nfs/dbraw/zinc/81/62/37/508816237.db2.gz	FQJBNNUXCQXZSV-NSHDSACASA-N	0	0	374.383	2.977	10	30		FFEERN
N#Cc1cc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)ccc1F	ZINC000120073961	508922637	/nfs/dbraw/zinc/92/26/37/508922637.db2.gz	UHMPSPMZGNUOPU-UHFFFAOYSA-N	0	0	355.417	2.666	10	30		FFEERN
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000132282893	509009909	/nfs/dbraw/zinc/00/99/09/509009909.db2.gz	KXWLTCKLCMQSOY-QWHCGFSZSA-N	0	0	356.455	2.809	10	30		FFEERN
N#Cc1cccc(CNC(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1	ZINC000121503347	509177102	/nfs/dbraw/zinc/17/71/02/509177102.db2.gz	XKYSWGPSXUANPA-YJBOKZPZSA-N	0	0	357.360	2.854	10	30		FFEERN
Cn1cc([C@@H]2CCCN2C(=O)Nc2ncccc2OCCCC#N)cn1	ZINC000188666905	509201722	/nfs/dbraw/zinc/20/17/22/509201722.db2.gz	VILPEFLWMQXRAY-HNNXBMFYSA-N	0	0	354.414	2.867	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2CCCC[C@H]2c2nnc3n2CCCC3)cc1	ZINC000195511134	509203676	/nfs/dbraw/zinc/20/36/76/509203676.db2.gz	HQZFNKKSNZUTLE-KRWDZBQOSA-N	0	0	364.453	2.652	10	30		FFEERN
Cn1cc([C@H]2CCN(C(=O)Nc3ncccc3OCCCC#N)C2)cn1	ZINC000188721084	509230584	/nfs/dbraw/zinc/23/05/84/509230584.db2.gz	HPECDKVDZYEAHQ-AWEZNQCLSA-N	0	0	354.414	2.519	10	30		FFEERN
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCn1cc(C)cn1	ZINC000191969760	509269394	/nfs/dbraw/zinc/26/93/94/509269394.db2.gz	KKMGBFMMBFBODT-UHFFFAOYSA-N	0	0	354.454	2.798	10	30		FFEERN
C=CC1CCN(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1	ZINC000176086514	509316649	/nfs/dbraw/zinc/31/66/49/509316649.db2.gz	KDDNZCMGGYDLOT-LBPRGKRZSA-N	0	0	354.447	2.898	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3sccc3C#N)C[C@H]21	ZINC000248599325	509383178	/nfs/dbraw/zinc/38/31/78/509383178.db2.gz	NJKFZXCELQXPBU-BFHYXJOUSA-N	0	0	361.467	2.995	10	30		FFEERN
C=CCOCCCC(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1	ZINC000173094151	509388387	/nfs/dbraw/zinc/38/83/87/509388387.db2.gz	FSXIYUXVKOVWQE-UHFFFAOYSA-N	0	0	369.465	2.969	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCCCCC#N)CC1	ZINC000192377611	509490791	/nfs/dbraw/zinc/49/07/91/509490791.db2.gz	UKTHOXUOOHBVFQ-MRXNPFEDSA-N	0	0	366.506	2.518	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2nncn2CC)C1	ZINC000183037797	509559681	/nfs/dbraw/zinc/55/96/81/509559681.db2.gz	IVCCKEPJSLKVTB-OAHLLOKOSA-N	0	0	368.441	2.980	10	30		FFEERN
C=C(C)CN(C)C(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1	ZINC000183059053	509570926	/nfs/dbraw/zinc/57/09/26/509570926.db2.gz	JMZSIWDNFCCXQA-QGZVFWFLSA-N	0	0	352.500	2.723	10	30		FFEERN
C=CCOCCCC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1	ZINC000176591779	509601544	/nfs/dbraw/zinc/60/15/44/509601544.db2.gz	BLVOFCKIEVUACC-HOTGVXAUSA-N	0	0	352.500	2.609	10	30		FFEERN
N#Cc1ccccc1Cn1cccc1CN1Cc2ccccc2C[C@@H]1C(N)=O	ZINC000189576262	509645010	/nfs/dbraw/zinc/64/50/10/509645010.db2.gz	AJXJGPLWQKUELO-JOCHJYFZSA-N	0	0	370.456	2.820	10	30		FFEERN
COc1cc(/C=C/C(=O)N2CCO[C@H](c3ccco3)C2)ccc1OCC#N	ZINC000176736525	509665707	/nfs/dbraw/zinc/66/57/07/509665707.db2.gz	PTBWRICEHVBXPO-XZXOBPBMSA-N	0	0	368.389	2.804	10	30		FFEERN
C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)C(=O)N(CCC#N)c1ccccc1	ZINC000173630192	509684742	/nfs/dbraw/zinc/68/47/42/509684742.db2.gz	WDRKIHQAFZSTOK-JKSUJKDBSA-N	0	0	366.469	2.600	10	30		FFEERN
N#Cc1ccc(OC[C@@H](O)CNC2(c3noc(C4CC4)n3)CCCC2)cc1	ZINC000173709166	509731598	/nfs/dbraw/zinc/73/15/98/509731598.db2.gz	XEIWOGRPXDUIBS-INIZCTEOSA-N	0	0	368.437	2.617	10	30		FFEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H]1c1c(C)nn(C)c1C	ZINC000177058258	509845856	/nfs/dbraw/zinc/84/58/56/509845856.db2.gz	LBLXTOBPORMWNC-MJGOQNOKSA-N	0	0	352.438	2.960	10	30		FFEERN
Cc1cc(CN(C[C@@H]2CN(C)CCO2)C(=O)c2sccc2C#N)c(C)[nH]1	ZINC000252527883	509848883	/nfs/dbraw/zinc/84/88/83/509848883.db2.gz	DPGNUTLTEUNCMC-KRWDZBQOSA-N	0	0	372.494	2.538	10	30		FFEERN
CCOc1ccc(S(=O)(=O)NN=Cc2cc(Cl)ccc2O)cc1	ZINC000254758515	509910148	/nfs/dbraw/zinc/91/01/48/509910148.db2.gz	JFLPSRZEDIXNNR-UHFFFAOYSA-N	0	0	354.815	2.757	10	30		FFEERN
CCOc1cc(C=Nn2c(C)nnc2-n2nc(C)cc2C)ccc1OC	ZINC000254853763	509910619	/nfs/dbraw/zinc/91/06/19/509910619.db2.gz	JLHRBCABFBGURN-UHFFFAOYSA-N	0	0	354.414	2.679	10	30		FFEERN
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	ZINC000171108579	509949249	/nfs/dbraw/zinc/94/92/49/509949249.db2.gz	LXXVZRQCDMVGFO-KGLIPLIRSA-N	0	0	353.344	2.525	10	30		FFEERN
Cc1c(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cccc1N1CCNC1=O	ZINC000183950395	510052326	/nfs/dbraw/zinc/05/23/26/510052326.db2.gz	PDTBTMPPMUYAMI-JOCHJYFZSA-N	0	0	374.444	2.706	10	30		FFEERN
COCc1csc(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1	ZINC000174389517	510090564	/nfs/dbraw/zinc/09/05/64/510090564.db2.gz	JJKWDMQTCAGXIC-MRXNPFEDSA-N	0	0	371.466	2.531	10	30		FFEERN
C=CCCOCCNC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21	ZINC000184036022	510099421	/nfs/dbraw/zinc/09/94/21/510099421.db2.gz	KREGVZLMFOIAHC-GOSISDBHSA-N	0	0	363.433	2.511	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1	ZINC000174413294	510103390	/nfs/dbraw/zinc/10/33/90/510103390.db2.gz	DOGAQVSMJKTZHC-INIZCTEOSA-N	0	0	355.394	2.817	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1	ZINC000171397794	510132224	/nfs/dbraw/zinc/13/22/24/510132224.db2.gz	LOZLSRONFFRUAO-GOSISDBHSA-N	0	0	368.437	2.677	10	30		FFEERN
N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CCCn3ncnc32)c1	ZINC000177579013	510143670	/nfs/dbraw/zinc/14/36/70/510143670.db2.gz	ALPKVLWSKQWETJ-IBGZPJMESA-N	0	0	373.416	2.994	10	30		FFEERN
C[C@@H](NC(N)=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	ZINC000171438416	510158862	/nfs/dbraw/zinc/15/88/62/510158862.db2.gz	KACQYQICYYSWTM-ABAIWWIYSA-N	0	0	356.813	2.991	10	30		FFEERN
CN(C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000246024063	510254758	/nfs/dbraw/zinc/25/47/58/510254758.db2.gz	MUDIVONRTBGWHM-RBUKOAKNSA-N	0	0	369.852	2.982	10	30		FFEERN
Cc1oc(NC(=O)CN2CC[C@@H](CNc3ccccn3)C2)c(C#N)c1C	ZINC000171643777	510272896	/nfs/dbraw/zinc/27/28/96/510272896.db2.gz	QVOHPUQWLQQYDG-HNNXBMFYSA-N	0	0	353.426	2.536	10	30		FFEERN
N#Cc1ccccc1Cn1cccc1CN1CCO[C@H]([C@@H]2CCCO2)C1	ZINC000187459706	510278507	/nfs/dbraw/zinc/27/85/07/510278507.db2.gz	JBSVEGDPXPIRST-SFTDATJTSA-N	0	0	351.450	2.788	10	30		FFEERN
N#CCSc1ccccc1NC(=O)CN1CCO[C@@H](c2nccs2)C1	ZINC000171666927	510296297	/nfs/dbraw/zinc/29/62/97/510296297.db2.gz	OOIKDWFWEZTUBF-CQSZACIVSA-N	0	0	374.491	2.771	10	30		FFEERN
N#Cc1cc(F)ccc1NC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000177929643	510331547	/nfs/dbraw/zinc/33/15/47/510331547.db2.gz	POOLHHLJXVOKGZ-IBGZPJMESA-N	0	0	368.412	2.580	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCO[C@H]2c2ccccc2)cn1	ZINC000184585817	510401833	/nfs/dbraw/zinc/40/18/33/510401833.db2.gz	GHXQPBABRDKSSX-ROUUACIJSA-N	0	0	374.404	2.791	10	30		FFEERN
CC[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1	ZINC000178053717	510402012	/nfs/dbraw/zinc/40/20/12/510402012.db2.gz	UUHRHROHPLHWJK-INIZCTEOSA-N	0	0	352.350	2.672	10	30		FFEERN
CC[C@H](NC(=O)C(=O)Nc1cccc(C)c1C#N)c1cccc([N+](=O)[O-])c1	ZINC000178059650	510407940	/nfs/dbraw/zinc/40/79/40/510407940.db2.gz	IUTBCPSOTOWPCX-INIZCTEOSA-N	0	0	366.377	2.981	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000188054155	510569347	/nfs/dbraw/zinc/56/93/47/510569347.db2.gz	XRSUSWOGDOQKEE-HNNXBMFYSA-N	0	0	370.430	2.739	10	30		FFEERN
N#CCCN(C(=O)CN1CC[N@@H+]2CCCC[C@H]2C1)c1cccc(Cl)c1	ZINC000246662952	510605833	/nfs/dbraw/zinc/60/58/33/510605833.db2.gz	XZFDMTYLCTVOHN-SFHVURJKSA-N	0	0	360.889	2.757	10	30		FFEERN
CCN(CCC#N)C(=O)CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1	ZINC000195401671	510814046	/nfs/dbraw/zinc/81/40/46/510814046.db2.gz	JMPWHMGDADVBKL-CQSZACIVSA-N	0	0	364.515	2.576	10	30		FFEERN
CCn1cc([C@H]2CN(C(=O)c3ccc(C4(C#N)CC4)cc3)CCO2)cn1	ZINC000191753586	510815649	/nfs/dbraw/zinc/81/56/49/510815649.db2.gz	NRBFVOODCPOJGQ-GOSISDBHSA-N	0	0	350.422	2.672	10	30		FFEERN
Cn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@H]2Cc3ccccc3N(C)C2)cn1	ZINC000329923079	510878380	/nfs/dbraw/zinc/87/83/80/510878380.db2.gz	UGIMYJCVTJLBKG-DKSSEZFCSA-N	0	0	354.454	2.763	10	30		FFEERN
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCN(C)[C@H](c2nccn2C)C1	ZINC000329955548	510886208	/nfs/dbraw/zinc/88/62/08/510886208.db2.gz	KTDTURZKSBUVMY-FHLIZLRMSA-N	0	0	353.470	2.556	10	30		FFEERN
CC(C)C[C@H]1COCCN1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1	ZINC000329959896	510887696	/nfs/dbraw/zinc/88/76/96/510887696.db2.gz	NPHKHKKLQQFUCI-BJLQDIEVSA-N	0	0	373.497	2.867	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H]2COc3c2ccc(C)c3C)C1	ZINC000330182798	510932308	/nfs/dbraw/zinc/93/23/08/510932308.db2.gz	PGLVWPPZXOPSCF-CWRNSKLLSA-N	0	0	372.425	2.804	10	30		FFEERN
N#C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCO3)C[C@H]1c1ccccc1	ZINC000330213097	510938919	/nfs/dbraw/zinc/93/89/19/510938919.db2.gz	KRLZMBUILLUBHB-MJGOQNOKSA-N	0	0	368.458	2.939	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccccc2)C1	ZINC000330224359	510941257	/nfs/dbraw/zinc/94/12/57/510941257.db2.gz	STPRTFFICIHPAT-KVSKMBFKSA-N	0	0	354.454	2.981	10	30		FFEERN
CC(=O)N1CCC[C@@H]1C(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1	ZINC000330278810	510956009	/nfs/dbraw/zinc/95/60/09/510956009.db2.gz	QCQWJBMCAGMDKK-CABCVRRESA-N	0	0	364.446	2.628	10	30		FFEERN
Cc1ccc(N2CCC[C@@H](NC(=O)c3snnc3C(C)(C)C)C2)nn1	ZINC000330294967	510959180	/nfs/dbraw/zinc/95/91/80/510959180.db2.gz	FLQAXBZXBDXVKV-GFCCVEGCSA-N	0	0	360.487	2.908	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)NCC2(SC)CCOCC2)cn1	ZINC000330331465	510965958	/nfs/dbraw/zinc/96/59/58/510965958.db2.gz	OBCGGAZBAJYAHM-LSDHHAIUSA-N	0	0	353.488	2.849	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](C)NC(=O)C2CCCCC2)C1	ZINC000330350315	510971834	/nfs/dbraw/zinc/97/18/34/510971834.db2.gz	KXWIIFNCEAYIOY-TUKIKUTGSA-N	0	0	364.446	2.592	10	30		FFEERN
N#Cc1ccc(I)c(F)c1I	ZINC000306763990	511763959	/nfs/dbraw/zinc/76/39/59/511763959.db2.gz	GWGPCYMLVLXGMB-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
CC(C)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1	ZINC000328623808	511896780	/nfs/dbraw/zinc/89/67/80/511896780.db2.gz	ZBBURXKIRWQWIP-FGTMMUONSA-N	0	0	365.518	2.829	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCO[C@@]3(CCSC3)C1)CCC2	ZINC000328638500	511903387	/nfs/dbraw/zinc/90/33/87/511903387.db2.gz	BPCZBZKOAIADLJ-DAYGRLMNSA-N	0	0	364.515	2.627	10	30		FFEERN
CN(C)c1ccc(N[C@H]2CCCN(C(=O)NC3CCOCC3)CC2)cn1	ZINC000328655226	511909275	/nfs/dbraw/zinc/90/92/75/511909275.db2.gz	YETQEGKYWDIBME-HNNXBMFYSA-N	0	0	361.490	2.507	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H]3CCC(=O)NC34CCC4)C2)no1	ZINC000328689382	511914886	/nfs/dbraw/zinc/91/48/86/511914886.db2.gz	IAGBODWHSIFPPM-UONOGXRCSA-N	0	0	361.446	2.588	10	30		FFEERN
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1	ZINC000328696694	511916488	/nfs/dbraw/zinc/91/64/88/511916488.db2.gz	KYRWIVFNXYOWMO-UONOGXRCSA-N	0	0	372.473	2.817	10	30		FFEERN
O=C(N[C@@H]1CCOC2(CCSCC2)C1)N[C@@H]1CCC(=O)NC12CCC2	ZINC000328702635	511917883	/nfs/dbraw/zinc/91/78/83/511917883.db2.gz	NXFNMUDQWYMSFW-ZIAGYGMSSA-N	0	0	367.515	2.976	10	30		FFEERN
O=C(CN1CCC[C@H]2C(=O)NC[C@H]21)NC[C@H]1CCN(c2ccccc2)C1	ZINC000328787085	511930547	/nfs/dbraw/zinc/93/05/47/511930547.db2.gz	LAAINFBXSZYWRY-KBAYOESNSA-N	0	0	356.470	2.520	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)[C@H](C)Sc1nnnn1C1CC1)CCC2	ZINC000328783977	511930774	/nfs/dbraw/zinc/93/07/74/511930774.db2.gz	JZTGJBJRWDMBIF-RYUDHWBXSA-N	0	0	361.475	2.528	10	30		FFEERN
C[C@H](c1cccnc1)N1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)CC1	ZINC000328876400	511943313	/nfs/dbraw/zinc/94/33/13/511943313.db2.gz	KDTMPIXCNZTENG-BJZITVGISA-N	0	0	371.485	2.572	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCS(=O)(=O)c3ccccc31)CCC2	ZINC000328904129	511947851	/nfs/dbraw/zinc/94/78/51/511947851.db2.gz	IWAHSEKDLUSYRF-HOCLYGCPSA-N	0	0	373.478	2.987	10	30		FFEERN
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NC1CCN(c2ccccn2)CC1	ZINC000328975462	511959873	/nfs/dbraw/zinc/95/98/73/511959873.db2.gz	WDAZPLPUWPEICH-VQIMIIECSA-N	0	0	369.469	2.908	10	30		FFEERN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@H]1COC[C@H]1n1ccnn1	ZINC000329203580	512003383	/nfs/dbraw/zinc/00/33/83/512003383.db2.gz	WJPINJZERLWYTR-NQNKBUKLSA-N	0	0	350.463	2.652	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCCC[C@H]1c1ccnn1C)CCC2	ZINC000329311085	512025179	/nfs/dbraw/zinc/02/51/79/512025179.db2.gz	CMJCZPGTDJVTMA-RDJZCZTQSA-N	0	0	356.474	2.944	10	30		FFEERN
CC[C@H](C)[C@@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C	ZINC000329333688	512028609	/nfs/dbraw/zinc/02/86/09/512028609.db2.gz	KJPLEGTVVLKBLD-JTOWHCCKSA-N	0	0	361.490	2.507	10	30		FFEERN
CCS(=O)(=O)N1CCC[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)C1	ZINC000329480688	512054481	/nfs/dbraw/zinc/05/44/81/512054481.db2.gz	DBHSJMCGWSYYEO-JGUIRARASA-N	0	0	354.516	2.829	10	30		FFEERN
CC[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1	ZINC000329497438	512058292	/nfs/dbraw/zinc/05/82/92/512058292.db2.gz	JJIBIZQFOTUXSQ-ZSZQSSIHSA-N	0	0	373.501	2.651	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)CCC2	ZINC000329498120	512058519	/nfs/dbraw/zinc/05/85/19/512058519.db2.gz	GRCACNDWKSAWPH-IAGOWNOFSA-N	0	0	372.473	2.771	10	30		FFEERN
C[C@@H]1CN(c2ccccc2NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C[C@@H](C)O1	ZINC000329513366	512060401	/nfs/dbraw/zinc/06/04/01/512060401.db2.gz	LKMGJBMOELCXGY-RUEZSYAVSA-N	0	0	360.454	2.940	10	30		FFEERN
CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2CN2CCOCC2)C1	ZINC000329517561	512062415	/nfs/dbraw/zinc/06/24/15/512062415.db2.gz	NEYYPBUJQNRTCV-GOSISDBHSA-N	0	0	373.497	2.736	10	30		FFEERN
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329621435	512078752	/nfs/dbraw/zinc/07/87/52/512078752.db2.gz	FPBPNZXMYRNDCH-NUEKZKHPSA-N	0	0	362.861	2.883	10	30		FFEERN
C[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(-n2cccn2)cc1	ZINC000329627964	512079637	/nfs/dbraw/zinc/07/96/37/512079637.db2.gz	HDCSQHSMHAVOMR-KBRIMQKVSA-N	0	0	353.426	2.898	10	30		FFEERN
CC(C)(O)[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000408212456	513022197	/nfs/dbraw/zinc/02/21/97/513022197.db2.gz	WRUMJQCWEHBMNS-CRAIPNDOSA-N	0	0	374.460	2.611	10	30		FFEERN
CC1(C)[C@@H]2CN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)C[C@@H]21	ZINC000408253245	513031223	/nfs/dbraw/zinc/03/12/23/513031223.db2.gz	XLVCIXMXDAWWTP-HRCADAONSA-N	0	0	356.445	2.964	10	30		FFEERN
C#CCOC[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1F	ZINC000036103176	518304114	/nfs/dbraw/zinc/30/41/14/518304114.db2.gz	GSYWZCPRNAHCJU-SFHVURJKSA-N	0	0	371.408	2.567	10	30		FFEERN
Cc1c([C@@H]2[C@H](C(=O)N[C@@H]3CCc4ccccc4C3)CC(=O)N2C)cnn1C	ZINC000330287378	568121807	/nfs/dbraw/zinc/12/18/07/568121807.db2.gz	CJJUABPNHHGRCY-HLIPFELVSA-N	0	0	366.465	2.762	10	30		FFEERN
C#Cc1cccc(N(CC)C(=O)c2ccc(-n3cnnn3)cc2Cl)c1	ZINC000103792353	728499165	/nfs/dbraw/zinc/49/91/65/728499165.db2.gz	UHSJDYIHXMXIEL-UHFFFAOYSA-N	0	0	351.797	2.964	10	30		FFEERN
C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccs1	ZINC000178134625	729154523	/nfs/dbraw/zinc/15/45/23/729154523.db2.gz	HUKTZDSEVRYJCA-NWDGAFQWSA-N	0	0	364.448	2.591	10	30		FFEERN
Cc1ccc([C@@H]2CN([C@H]3CCN(c4sccc4C#N)C3=O)CCO2)o1	ZINC000246076264	729579785	/nfs/dbraw/zinc/57/97/85/729579785.db2.gz	BVWQPTDZLBFOPT-HOCLYGCPSA-N	0	0	357.435	2.700	10	30		FFEERN
Cc1cn2c(n1)[C@@H](CNC(=O)c1cnc(-c3cnn(C)c3)s1)CCC2	ZINC000328695982	729794729	/nfs/dbraw/zinc/79/47/29/729794729.db2.gz	DEJFJWNWRZBHMJ-GFCCVEGCSA-N	0	0	356.455	2.931	10	30		FFEERN
C[C@@H]1CCCN(Cc2csc(NC(=O)N[C@@H]3CCCNC3=O)n2)C1	ZINC000328737194	729794959	/nfs/dbraw/zinc/79/49/59/729794959.db2.gz	LPCPRQXKYAGCOC-DGCLKSJQSA-N	0	0	351.476	2.820	10	30		FFEERN
Cc1cccc(NC(=O)CSCC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1	ZINC000328819664	729795393	/nfs/dbraw/zinc/79/53/93/729795393.db2.gz	OMKHRXFQJWRFLP-HUUCEWRRSA-N	0	0	361.467	2.894	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N3CCc4sccc4C3)C2)nn1	ZINC000329659626	729798496	/nfs/dbraw/zinc/79/84/96/729798496.db2.gz	HWGSOWIGVKNQQT-HNNXBMFYSA-N	0	0	357.483	2.788	10	30		FFEERN
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1	ZINC000329722977	729798761	/nfs/dbraw/zinc/79/87/61/729798761.db2.gz	COZMQBVBLQFUJQ-GFJIZPEISA-N	0	0	358.504	2.937	10	30		FFEERN
Cc1noc([C@H]2CN(c3cc(C(F)(F)F)cnc3C#N)C[C@@H](C)O2)n1	ZINC000886082012	733746599	/nfs/dbraw/zinc/74/65/99/733746599.db2.gz	TVGQQRXMPVWLOW-AMIZOPFISA-N	0	0	353.304	2.630	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC(=O)/C=C\c2ccnc(Cl)c2)cn1	ZINC000588462864	845964841	/nfs/dbraw/zinc/96/48/41/845964841.db2.gz	QTEQVXDXCWTZFA-ARJAWSKDSA-N	0	0	350.769	2.839	10	30		FFEERN
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1ccc2ncsc2c1	ZINC000328914164	965051113	/nfs/dbraw/zinc/05/11/13/965051113.db2.gz	ISBLMQPIUAEJSE-UHFFFAOYSA-N	0	0	372.494	2.545	10	30		FFEERN
C[C@@H]1OCC[C@@H]1NC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1	ZINC000328934253	965068220	/nfs/dbraw/zinc/06/82/20/965068220.db2.gz	IYBUJVNGVOSVAS-BBRMVZONSA-N	0	0	355.442	2.743	10	30		FFEERN
C#CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)cc1	ZINC000108453073	965150632	/nfs/dbraw/zinc/15/06/32/965150632.db2.gz	OEQZDMMTPAQLDI-SFHVURJKSA-N	0	0	364.401	2.648	10	30		FFEERN
CCc1nc2n(n1)C[C@H](NC(=O)c1cn(C)nc1C1CCCCC1)CC2	ZINC000329317354	967642986	/nfs/dbraw/zinc/64/29/86/967642986.db2.gz	SNAUORMJFIRHJN-CQSZACIVSA-N	0	0	356.474	2.941	10	30		FFEERN
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CC[C@@H](c3cccc(F)c3)C1)CC2	ZINC000329670180	967928228	/nfs/dbraw/zinc/92/82/28/967928228.db2.gz	SUGBMQBLIDWVTI-GOEBONIOSA-N	0	0	357.433	2.692	10	30		FFEERN
Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@H]1CCN(c2ccccc2)C1	ZINC000330027418	970074189	/nfs/dbraw/zinc/07/41/89/970074189.db2.gz	NBFSIOKAFHFPNC-INIZCTEOSA-N	0	0	364.453	2.806	10	30		FFEERN
N#Cc1ccc(F)c(CN2CCCN(Cc3noc(C4CC4)n3)CC2)c1	ZINC000106150759	250243254	/nfs/dbraw/zinc/24/32/54/250243254.db2.gz	FIMNKPFNTJNJKQ-UHFFFAOYSA-N	0	0	355.417	2.666	10	30		FFEERN
CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=N)N)CCC2	ZINC000040824796	208270107	/nfs/dbraw/zinc/27/01/07/208270107.db2.gz	RIYFSROSPLUXJD-OEAKJJBVSA-N	0	0	353.426	2.926	10	30		FFEERN
Cc1c(C(=O)NCc2ccc(C)cc2)oc2c1/C(=N/NC(N)=S)CCC2	ZINC000040824448	208270500	/nfs/dbraw/zinc/27/05/00/208270500.db2.gz	UQCTVUCCPQBTJQ-HYARGMPZSA-N	0	0	370.478	2.700	10	30		FFEERN
N#Cc1cc(NC[C@H]2CCC[C@]23NC(=O)NC3=O)nc2ccc(Cl)cc12	ZINC000301960029	258077669	/nfs/dbraw/zinc/07/76/69/258077669.db2.gz	PTTYYRWCCOHNSS-ZMZPIMSZSA-N	0	0	369.812	2.550	10	30		FFEERN
CC(=O)c1ccc(C#N)c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1	ZINC000302006947	258081333	/nfs/dbraw/zinc/08/13/33/258081333.db2.gz	AKOZDEZFOUGULI-FGZHOGPDSA-N	0	0	361.445	2.850	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H]4COCC[C@H]43)C2)n1	ZINC000328779718	258120590	/nfs/dbraw/zinc/12/05/90/258120590.db2.gz	FAHUTQIRZDKRJW-IPMKNSEASA-N	0	0	368.481	2.506	10	30		FFEERN
CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NOC(=O)c1ccccc1	ZINC000003638630	263330725	/nfs/dbraw/zinc/33/07/25/263330725.db2.gz	FUSCRTKCQYGJDN-KRWDZBQOSA-N	0	0	354.406	2.719	10	30		FFEERN
C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000177588856	510148285	/nfs/dbraw/zinc/14/82/85/510148285.db2.gz	IHOQSEGKQCAGNR-SNVBAGLBSA-N	0	0	358.847	2.562	10	30		FFEERN
COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCN(C)c2ccccc21	ZINC000056046472	506917779	/nfs/dbraw/zinc/91/77/79/506917779.db2.gz	OICYQNMDBWMIPJ-MRXNPFEDSA-N	0	0	365.433	2.686	10	30		FFEERN
CS(=O)(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1	ZINC000015580388	507049422	/nfs/dbraw/zinc/04/94/22/507049422.db2.gz	PJGDFJAJWYALSE-UHFFFAOYSA-N	0	0	363.826	2.616	10	30		FFEERN
CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000025841801	507538388	/nfs/dbraw/zinc/53/83/88/507538388.db2.gz	PDFNGVBHEDMYJP-INIZCTEOSA-N	0	0	363.483	2.630	10	30		FFEERN
C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)Cc1cccc(C#N)c1	ZINC000108399962	507892226	/nfs/dbraw/zinc/89/22/26/507892226.db2.gz	GYOHTLKYXUJVTM-BEFAXECRSA-N	0	0	356.447	2.850	10	30		FFEERN
N#C[C@H]1CN(C(=O)Nc2ccc3c(c2)COC3)CCN1Cc1ccccc1	ZINC000092150108	508046593	/nfs/dbraw/zinc/04/65/93/508046593.db2.gz	OLRPYBDXNYMVDV-FQEVSTJZSA-N	0	0	362.433	2.959	10	30		FFEERN
C[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1(Cl)Cl	ZINC000074682460	508047369	/nfs/dbraw/zinc/04/73/69/508047369.db2.gz	FIVZCUHCMICAOR-ZBFHGGJFSA-N	0	0	352.265	2.807	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1	ZINC000110904770	508055802	/nfs/dbraw/zinc/05/58/02/508055802.db2.gz	ZPWFYHVVCNFBMM-QGZVFWFLSA-N	0	0	355.438	2.606	10	30		FFEERN
CCc1noc([C@@H](C)N2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)n1	ZINC000112127644	508153491	/nfs/dbraw/zinc/15/34/91/508153491.db2.gz	OCVCNFMNJPDRSW-GFCCVEGCSA-N	0	0	372.404	2.553	10	30		FFEERN
C[C@@H]1CC(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H](C)O1	ZINC000094127020	508170284	/nfs/dbraw/zinc/17/02/84/508170284.db2.gz	RBGPLIKNPZQSLP-CKEIUWERSA-N	0	0	359.445	2.986	10	30		FFEERN
COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccc(C#N)c(C)n3)C2)c1	ZINC000081643202	508200464	/nfs/dbraw/zinc/20/04/64/508200464.db2.gz	CIUQMEJGQNNDGQ-OAHLLOKOSA-N	0	0	351.406	2.909	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](NC(=O)CCC)C2)cc1	ZINC000101748025	508255893	/nfs/dbraw/zinc/25/58/93/508255893.db2.gz	FXWSUKJDDDVHNJ-KRWDZBQOSA-N	0	0	372.469	2.515	10	30		FFEERN
C#Cc1cccc(NC(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1	ZINC000114000562	508290080	/nfs/dbraw/zinc/29/00/80/508290080.db2.gz	FLQJDUOQXARASR-UHFFFAOYSA-N	0	0	365.481	2.969	10	30		FFEERN
COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1F	ZINC000102962443	508290407	/nfs/dbraw/zinc/29/04/07/508290407.db2.gz	IERUMDLFOYUFGH-JTQLQIEISA-N	0	0	359.332	2.661	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(CCOc3cccc(C#N)c3)CC2)cn1	ZINC000106144441	508396572	/nfs/dbraw/zinc/39/65/72/508396572.db2.gz	KYDZCWNSZPMZGP-UHFFFAOYSA-N	0	0	367.497	2.706	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1	ZINC000106172940	508396974	/nfs/dbraw/zinc/39/69/74/508396974.db2.gz	ASPWQJUAYMPYTG-IRXDYDNUSA-N	0	0	373.526	2.655	10	30		FFEERN
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000116112078	508473318	/nfs/dbraw/zinc/47/33/18/508473318.db2.gz	LEJBJRKDRCIINM-VQIMIIECSA-N	0	0	352.438	2.711	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1Cl	ZINC000122732867	508579598	/nfs/dbraw/zinc/57/95/98/508579598.db2.gz	WMPVCBWPVPGIRK-CJNGLKHVSA-N	0	0	354.859	2.527	10	30		FFEERN
Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000123119361	508639196	/nfs/dbraw/zinc/63/91/96/508639196.db2.gz	BWQVXIVLSDPPIB-ZDUSSCGKSA-N	0	0	364.858	2.570	10	30		FFEERN
CC1(C)C[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)c2ccccc2O1	ZINC000158978045	508776146	/nfs/dbraw/zinc/77/61/46/508776146.db2.gz	ZSONKBCLMUIOMV-KRWDZBQOSA-N	0	0	363.417	2.707	10	30		FFEERN
Cc1sc(NC(=O)CN2CC[C@@H](Oc3cccnc3)C2)c(C#N)c1C	ZINC000154697778	508835777	/nfs/dbraw/zinc/83/57/77/508835777.db2.gz	MXRNEPZZDYNUTK-OAHLLOKOSA-N	0	0	356.451	2.723	10	30		FFEERN
FC(F)(F)Oc1ccc(C#CCN2CCO[C@H](Cn3cccn3)C2)cc1	ZINC000159987108	508920436	/nfs/dbraw/zinc/92/04/36/508920436.db2.gz	RXPUJHJOFOIGOM-KRWDZBQOSA-N	0	0	365.355	2.534	10	30		FFEERN
CCn1cc(C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)cn1	ZINC000160458218	508989867	/nfs/dbraw/zinc/98/98/67/508989867.db2.gz	AGILAOHTJWKIAL-UHFFFAOYSA-N	0	0	351.454	2.983	10	30		FFEERN
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)C#N)c1	ZINC000125728542	509022460	/nfs/dbraw/zinc/02/24/60/509022460.db2.gz	OWRIXTYNJZKWTH-CQSZACIVSA-N	0	0	357.435	2.544	10	30		FFEERN
Cc1csc([C@H]2COCCN2C(=O)/C=C/c2ccc(OCC#N)cc2)n1	ZINC000188664734	509199431	/nfs/dbraw/zinc/19/94/31/509199431.db2.gz	RLHKXPKTCKHQHS-BBOMDTFKSA-N	0	0	369.446	2.967	10	30		FFEERN
COC(=O)N[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)C(C)C	ZINC000162401011	509216261	/nfs/dbraw/zinc/21/62/61/509216261.db2.gz	MNASJJUSMYOYCO-CHWSQXEVSA-N	0	0	368.231	2.511	10	30		FFEERN
C#Cc1cccc(N(CC)C(=O)C2CCN(C(=O)c3ccccn3)CC2)c1	ZINC000172973398	509330921	/nfs/dbraw/zinc/33/09/21/509330921.db2.gz	HMQSUHMWQOSQEL-UHFFFAOYSA-N	0	0	361.445	2.968	10	30		FFEERN
COc1cc(OC)c(CNc2cnn(-c3ncccc3C#N)c2)c(OC)c1	ZINC000185848547	509385507	/nfs/dbraw/zinc/38/55/07/509385507.db2.gz	RSONKLOSPCOMSX-UHFFFAOYSA-N	0	0	365.393	2.777	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000176234346	509394623	/nfs/dbraw/zinc/39/46/23/509394623.db2.gz	ZQDVPVRGZYYRQX-SFHVURJKSA-N	0	0	372.494	2.519	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(c2nc(C(F)(F)F)ccc2C#N)C1	ZINC000189139826	509431735	/nfs/dbraw/zinc/43/17/35/509431735.db2.gz	UHDCRFRRNKXJML-WDEREUQCSA-N	0	0	353.304	2.630	10	30		FFEERN
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCNC(=O)[C@H]1C	ZINC000189231207	509474733	/nfs/dbraw/zinc/47/47/33/509474733.db2.gz	HTPBJRMKHRLTBY-LLVKDONJSA-N	0	0	356.344	2.621	10	30		FFEERN
C=CCCO[C@@H](C)C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1	ZINC000176526100	509562870	/nfs/dbraw/zinc/56/28/70/509562870.db2.gz	AXVOFALXVSAYIZ-HOTGVXAUSA-N	0	0	352.500	2.561	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1	ZINC000189414421	509563015	/nfs/dbraw/zinc/56/30/15/509563015.db2.gz	XMAYUCINRARYSM-JKSUJKDBSA-N	0	0	358.398	2.937	10	30		FFEERN
Cc1ccnc2c1NC(=O)CN2C(=O)CCCCOc1cccc(C#N)c1	ZINC000179691541	509575417	/nfs/dbraw/zinc/57/54/17/509575417.db2.gz	JYVLVGUSEBUUIR-UHFFFAOYSA-N	0	0	364.405	2.796	10	30		FFEERN
N#CC1(c2ccc(C(=O)N[C@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1	ZINC000179783573	509618849	/nfs/dbraw/zinc/61/88/49/509618849.db2.gz	XSWQHVMWDALQRV-KRWDZBQOSA-N	0	0	366.442	2.890	10	30		FFEERN
N#Cc1cccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)c1	ZINC000168319530	509646247	/nfs/dbraw/zinc/64/62/47/509646247.db2.gz	NJZGMMPFEZMQOH-HNNXBMFYSA-N	0	0	361.323	2.787	10	30		FFEERN
CCn1cc([C@H]2CN(c3nc(C(F)(F)F)ccc3C#N)CCO2)cn1	ZINC000189610334	509662059	/nfs/dbraw/zinc/66/20/59/509662059.db2.gz	GQXCGTIVFAJJDT-CYBMUJFWSA-N	0	0	351.332	2.766	10	30		FFEERN
C=CCOCCCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000183261333	509685011	/nfs/dbraw/zinc/68/50/11/509685011.db2.gz	YDZAELUDRFEWBJ-HRCADAONSA-N	0	0	352.475	2.731	10	30		FFEERN
C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc2n1CCCC2	ZINC000173630084	509685801	/nfs/dbraw/zinc/68/58/01/509685801.db2.gz	RGBVERHKBVANRJ-NEPJUHHUSA-N	0	0	372.860	2.817	10	30		FFEERN
N#Cc1ccsc1NC(=O)CNC1(c2noc(C3CC3)n2)CCCC1	ZINC000173714590	509735160	/nfs/dbraw/zinc/73/51/60/509735160.db2.gz	SXBLSPUEUIVYFK-UHFFFAOYSA-N	0	0	357.439	2.878	10	30		FFEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCOc2ccccc21	ZINC000193085294	509773267	/nfs/dbraw/zinc/77/32/67/509773267.db2.gz	RTCVYTGTGIRCPG-SFHVURJKSA-N	0	0	352.438	2.986	10	30		FFEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@H](CNc2ccccn2)C1	ZINC000177034430	509829798	/nfs/dbraw/zinc/82/97/98/509829798.db2.gz	VHEAHTLGCZGIQV-VQIMIIECSA-N	0	0	350.422	2.601	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN([C@H](C(=O)OC)c2cccc(C#N)c2)C1	ZINC000177058479	509846057	/nfs/dbraw/zinc/84/60/57/509846057.db2.gz	AFFYUUACCUYSIL-MJGOQNOKSA-N	0	0	352.438	2.868	10	30		FFEERN
CC(=NNS(=O)(=O)c1ccc2ccccc2c1)c1c(O)cccc1O	ZINC000254750435	509908994	/nfs/dbraw/zinc/90/89/94/509908994.db2.gz	PSMICOPCBDBMAC-UHFFFAOYSA-N	0	0	356.403	2.954	10	30		FFEERN
C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000245729201	510111329	/nfs/dbraw/zinc/11/13/29/510111329.db2.gz	FAIZDBVYXLJNFR-QITLCBANSA-N	0	0	372.371	2.938	10	30		FFEERN
CC(=O)NC1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1	ZINC000190527733	510186084	/nfs/dbraw/zinc/18/60/84/510186084.db2.gz	OIMBCHSDBSSYQL-UHFFFAOYSA-N	0	0	369.808	2.964	10	30		FFEERN
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1	ZINC000177796037	510257432	/nfs/dbraw/zinc/25/74/32/510257432.db2.gz	GIURMDKQUSAWEU-QAPCUYQASA-N	0	0	372.469	2.530	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCOc3ccccc32)cn1	ZINC000184614282	510419165	/nfs/dbraw/zinc/41/91/65/510419165.db2.gz	WBQQIRONBFUJDP-MRXNPFEDSA-N	0	0	360.377	2.784	10	30		FFEERN
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCOc4ccccc43)CC2)o1	ZINC000187910250	510496628	/nfs/dbraw/zinc/49/66/28/510496628.db2.gz	LKJXSFDILBYKHZ-MRXNPFEDSA-N	0	0	366.421	2.711	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1Cc2ccccc2[C@@H]1O	ZINC000178311470	510540013	/nfs/dbraw/zinc/54/00/13/510540013.db2.gz	GTFSLUDMKLNNAW-UWJYYQICSA-N	0	0	366.417	2.500	10	30		FFEERN
C=CCc1cc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc(OC)c1OC	ZINC000178332501	510550944	/nfs/dbraw/zinc/55/09/44/510550944.db2.gz	CVEUVXQTCDOOOC-PKOBYXMFSA-N	0	0	353.418	2.820	10	30		FFEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](c2nc(C)cs2)C1	ZINC000246602416	510577947	/nfs/dbraw/zinc/57/79/47/510577947.db2.gz	XNJDBUCSQWOFDI-HZPDHXFCSA-N	0	0	357.435	2.611	10	30		FFEERN
N#Cc1ccsc1N1CC[C@H](N2CC[C@@H](CNc3ccccn3)C2)C1=O	ZINC000246616752	510586234	/nfs/dbraw/zinc/58/62/34/510586234.db2.gz	YOSCGDKKWJESJF-HOCLYGCPSA-N	0	0	367.478	2.554	10	30		FFEERN
CCOCCN1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1C	ZINC000172272042	510640882	/nfs/dbraw/zinc/64/08/82/510640882.db2.gz	BSFJZVBTJYAJBX-OAHLLOKOSA-N	0	0	361.490	2.689	10	30		FFEERN
CN1CCO[C@H](CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C1	ZINC000175478758	510659577	/nfs/dbraw/zinc/65/95/77/510659577.db2.gz	SVPMQXJCUHGFOO-QGZVFWFLSA-N	0	0	367.474	2.770	10	30		FFEERN
C=CC[C@H](C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1	ZINC000188339405	510718155	/nfs/dbraw/zinc/71/81/55/510718155.db2.gz	XRFHXTZATRIKKG-ROUUACIJSA-N	0	0	366.465	2.700	10	30		FFEERN
Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H](C)C2	ZINC000182313570	510848905	/nfs/dbraw/zinc/84/89/05/510848905.db2.gz	XAGJFIMCOHFQMK-KPZWWZAWSA-N	0	0	351.381	2.994	10	30		FFEERN
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H](n3cncn3)C2)cc1	ZINC000247734361	510869238	/nfs/dbraw/zinc/86/92/38/510869238.db2.gz	MOZSQHYPFZDPBI-IEBWSBKVSA-N	0	0	366.469	2.559	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000247813236	510871106	/nfs/dbraw/zinc/87/11/06/510871106.db2.gz	VNJXLVZWOWLIGD-MOPGFXCFSA-N	0	0	363.465	2.851	10	30		FFEERN
O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)N[C@@H]1CCCc2ccccc21	ZINC000329903624	510874618	/nfs/dbraw/zinc/87/46/18/510874618.db2.gz	IKVDBPVCBQEWOR-XYJFISCASA-N	0	0	369.444	2.975	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)C12CCOCC2	ZINC000329913594	510875689	/nfs/dbraw/zinc/87/56/89/510875689.db2.gz	BXCNMTKWRNUQHV-LJISPDSOSA-N	0	0	353.463	2.558	10	30		FFEERN
COc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]32)cc1-n1nnnc1C1CC1	ZINC000329943441	510883132	/nfs/dbraw/zinc/88/31/32/510883132.db2.gz	WDFJEJZKDVBDBZ-GXTWGEPZSA-N	0	0	354.414	2.578	10	30		FFEERN
Cc1c([C@@H]2[C@H](C(=O)N[C@@H]3CCc4ccccc43)CC(=O)N2C)cnn1C	ZINC000330299298	510960589	/nfs/dbraw/zinc/96/05/89/510960589.db2.gz	MFKMZKVJIMHINS-SUMDDJOVSA-N	0	0	352.438	2.892	10	30		FFEERN
C[C@@H]1C[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C(=O)N1c1ccccc1	ZINC000330336477	510968427	/nfs/dbraw/zinc/96/84/27/510968427.db2.gz	SNQTXIRLKMOGHJ-BVPBIZIASA-N	0	0	368.437	2.648	10	30		FFEERN
N#Cc1cc(F)c(I)c(I)c1	ZINC000306641219	511763620	/nfs/dbraw/zinc/76/36/20/511763620.db2.gz	LQZLUBILOAEIAD-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
COC(=O)c1ccc(C#N)c(Br)c1I	ZINC000306733057	511764050	/nfs/dbraw/zinc/76/40/50/511764050.db2.gz	HWDWJQPNPDMFRH-UHFFFAOYSA-N	0	0	365.952	2.712	10	30		FFEERN
O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1cncc(N2CCOCC2)c1	ZINC000328660009	511910836	/nfs/dbraw/zinc/91/08/36/511910836.db2.gz	UOWBFDSOIKUCJL-RBUKOAKNSA-N	0	0	368.437	2.538	10	30		FFEERN
CC[C@@H]1CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CCN1CC(F)F	ZINC000328715004	511919446	/nfs/dbraw/zinc/91/94/46/511919446.db2.gz	CRKZVHUAKNYYRT-OLZOCXBDSA-N	0	0	358.433	2.603	10	30		FFEERN
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)N[C@@H]1CCO[C@@H]1C1CC1	ZINC000328806120	511933361	/nfs/dbraw/zinc/93/33/61/511933361.db2.gz	CKQLJSJWLWNYDY-FSPWUOQZSA-N	0	0	355.442	2.742	10	30		FFEERN
O=C(Nc1csc2ccccc12)N1CCC[C@](O)(C(=O)N2CCCC2)C1	ZINC000328948289	511954657	/nfs/dbraw/zinc/95/46/57/511954657.db2.gz	GZBOSZVKRHNYKH-LJQANCHMSA-N	0	0	373.478	2.896	10	30		FFEERN
CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCO[C@@H]1c1cccnc1	ZINC000328972959	511959707	/nfs/dbraw/zinc/95/97/07/511959707.db2.gz	BZBHPGNBYQAXLO-ARFHVFGLSA-N	0	0	370.457	2.665	10	30		FFEERN
COc1ccc2c(c1)OC[C@H]([NH+]=C([O-])NC[C@H]1CCCn3cc(C)nc31)C2	ZINC000329032902	511971123	/nfs/dbraw/zinc/97/11/23/511971123.db2.gz	XQDUHVAQSUNDOD-HZPDHXFCSA-N	0	0	370.453	2.585	10	30		FFEERN
[O-]C(N[C@H]1CCO[C@@H]1c1cccnc1)=[NH+][C@@H]1CCCC[C@H]1n1cccn1	ZINC000329076506	511977942	/nfs/dbraw/zinc/97/79/42/511977942.db2.gz	CGMBFPBDMVRPEQ-XMTFNYHQSA-N	0	0	355.442	2.796	10	30		FFEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	ZINC000329276351	512018554	/nfs/dbraw/zinc/01/85/54/512018554.db2.gz	LCVMTKFDVABVRD-LALPHHSUSA-N	0	0	362.478	2.713	10	30		FFEERN
C[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccccc1-n1cccn1	ZINC000329306227	512024291	/nfs/dbraw/zinc/02/42/91/512024291.db2.gz	BCEKLJNEEXMPIM-FRFSOERESA-N	0	0	353.426	2.898	10	30		FFEERN
NC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)O1	ZINC000329354779	512031690	/nfs/dbraw/zinc/03/16/90/512031690.db2.gz	VOXVMXJJOFQGQE-IMIFBBOLSA-N	0	0	355.435	2.700	10	30		FFEERN
O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329374608	512035684	/nfs/dbraw/zinc/03/56/84/512035684.db2.gz	NMPZKIJDAOPFNQ-RKVPGOIHSA-N	0	0	371.437	2.874	10	30		FFEERN
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329467832	512053428	/nfs/dbraw/zinc/05/34/28/512053428.db2.gz	WWNRIRLADHUSEA-BPLDGKMQSA-N	0	0	359.426	2.701	10	30		FFEERN
CN(C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C)C1CCCCCC1	ZINC000329529240	512064872	/nfs/dbraw/zinc/06/48/72/512064872.db2.gz	VAZIPYZFDLSAFR-VQIMIIECSA-N	0	0	373.501	2.793	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)C2)nn1	ZINC000329561539	512069924	/nfs/dbraw/zinc/06/99/24/512069924.db2.gz	GEUPITZOAMQEPC-ZRGWGRIASA-N	0	0	368.437	2.939	10	30		FFEERN
NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)c1	ZINC000329722605	512089915	/nfs/dbraw/zinc/08/99/15/512089915.db2.gz	BBWAAHGJISTRMH-XOYOTBSWSA-N	0	0	373.453	2.826	10	30		FFEERN
CC(C)c1csc([C@@H]2CCCN(C(=O)NC[C@@H]3COCCO3)C2)n1	ZINC000329738401	512092533	/nfs/dbraw/zinc/09/25/33/512092533.db2.gz	MTXZPNCBCPMSLA-ZIAGYGMSSA-N	0	0	353.488	2.775	10	30		FFEERN
CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCCS2(=O)=O)C12CCCC2	ZINC000329758679	512093757	/nfs/dbraw/zinc/09/37/57/512093757.db2.gz	NYCLMCJDRJYRET-OWCLPIDISA-N	0	0	372.531	2.537	10	30		FFEERN
O=C(N[C@H]1CCC(=O)NC12CCC2)N1CC[C@](CO)(c2ccccc2)C1	ZINC000329814615	512100443	/nfs/dbraw/zinc/10/04/43/512100443.db2.gz	NPDCDILVTVBQSE-LPHOPBHVSA-N	0	0	357.454	2.578	10	30		FFEERN
Cc1nc(CN2CCN(C(=O)NCC3C[C@H](C)O[C@@H](C)C3)CC2)oc1C	ZINC000329815032	512100678	/nfs/dbraw/zinc/10/06/78/512100678.db2.gz	UXDFYAZHVFTSPW-KBPBESRZSA-N	0	0	364.490	2.527	10	30		FFEERN
Cc1c(C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)nnn1CC1CCCC1	ZINC000329881697	512105224	/nfs/dbraw/zinc/10/52/24/512105224.db2.gz	OWJAXHHPOKBRKH-MRXNPFEDSA-N	0	0	361.490	2.994	10	30		FFEERN
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21	ZINC000407951543	512974303	/nfs/dbraw/zinc/97/43/03/512974303.db2.gz	CBZVOXTUCZDDIS-GDBMZVCRSA-N	0	0	363.483	2.749	10	30		FFEERN
C[C@H]1CSCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000408204816	513020233	/nfs/dbraw/zinc/02/02/33/513020233.db2.gz	WJXDTQKORDORRB-ZFWWWQNUSA-N	0	0	362.474	2.813	10	30		FFEERN
C[C@@H]1N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCC12CCOCC2	ZINC000408212827	513021835	/nfs/dbraw/zinc/02/18/35/513021835.db2.gz	ZVLQUKIDQMIORD-LBPRGKRZSA-N	0	0	354.859	2.791	10	30		FFEERN
CC(C)(C)c1nsc(N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)n1	ZINC000408363169	513052689	/nfs/dbraw/zinc/05/26/89/513052689.db2.gz	UXIKRRUORUECNM-VOJFVSQTSA-N	0	0	353.451	2.685	10	30		FFEERN
CCOC(=O)c1cc(C#N)c(I)c(OC(F)F)c1	ZINC000575386488	518208653	/nfs/dbraw/zinc/20/86/53/518208653.db2.gz	UHQDSLXJRKDWTF-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
COC(=O)c1c(OC(F)F)ccc(I)c1C#N	ZINC000575386086	518208976	/nfs/dbraw/zinc/20/89/76/518208976.db2.gz	KFADLSIQULWMIY-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1I	ZINC000575393001	518210124	/nfs/dbraw/zinc/21/01/24/518210124.db2.gz	URQLMWKRTCVHHF-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
CC(N=Nc1ccccc1)[C@@]1(C)N(O)C(C)(C)C(C2=S=CC=C2)=[N+]1[O-]	ZINC000575418150	518216112	/nfs/dbraw/zinc/21/61/12/518216112.db2.gz	BXGLBTXBBGELKR-ZJYZBMPFSA-N	0	0	359.475	2.794	10	30		FFEERN
C=CCN(Cc1ccc(CN(C)S(C)(=O)=O)o1)Cc1ccc(F)cc1	ZINC000055386839	518778974	/nfs/dbraw/zinc/77/89/74/518778974.db2.gz	QILGAVCHCCECEW-UHFFFAOYSA-N	0	0	366.458	2.998	10	30		FFEERN
Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)cc1S(=O)(=O)NC1CC1	ZINC000330276136	568081853	/nfs/dbraw/zinc/08/18/53/568081853.db2.gz	MLPFSXOFAKNYNY-CZUORRHYSA-N	0	0	363.483	2.856	10	30		FFEERN
C=CCN(C(=O)/C=C\c1cnn(C)c1)c1nc(C)c(C(=O)OCC)s1	ZINC000096569392	728481095	/nfs/dbraw/zinc/48/10/95/728481095.db2.gz	BBJGYPADQDYEDS-FPLPWBNLSA-N	0	0	360.439	2.594	10	30		FFEERN
C#CC[C@@H](OC(=O)Cc1ccc(S(=O)(=O)CC)cc1)c1ccccn1	ZINC000105549833	728506438	/nfs/dbraw/zinc/50/64/38/728506438.db2.gz	SZXWETVEWYTGRN-GOSISDBHSA-N	0	0	357.431	2.726	10	30		FFEERN
C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(S(C)(=O)=O)cc1	ZINC000152128043	728748296	/nfs/dbraw/zinc/74/82/96/728748296.db2.gz	YDMAJYRGNGLWTP-SNVBAGLBSA-N	0	0	364.373	2.731	10	30		FFEERN
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)c1cccs1	ZINC000178134550	729154467	/nfs/dbraw/zinc/15/44/67/729154467.db2.gz	VMZXLBAKZPVLSP-RYUDHWBXSA-N	0	0	364.448	2.591	10	30		FFEERN
N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000193614527	729484655	/nfs/dbraw/zinc/48/46/55/729484655.db2.gz	HHQAWNIEKFOOPX-OAHLLOKOSA-N	0	0	359.382	2.738	10	30		FFEERN
CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc2nc[nH]c(=O)c2c1	ZINC000328824053	729795362	/nfs/dbraw/zinc/79/53/62/729795362.db2.gz	GWLYIOOTKNEPFP-YGRLFVJLSA-N	0	0	360.439	2.871	10	30		FFEERN
C[C@H](NC(=O)N1CCOC[C@H]1c1ncnn1C)c1ccc(Cl)s1	ZINC000328895403	729795706	/nfs/dbraw/zinc/79/57/06/729795706.db2.gz	VFJNPOMXRAMXIN-UWVGGRQHSA-N	0	0	355.851	2.579	10	30		FFEERN
Cc1cccc(C(=O)N[C@H](C(=O)N[C@@H]2CCCS(=O)(=O)C2)C(C)C)c1	ZINC000329319000	729797174	/nfs/dbraw/zinc/79/71/74/729797174.db2.gz	SYCRXWCOODYMIE-CVEARBPZSA-N	0	0	366.483	2.858	10	30		FFEERN
CC(=O)N[C@@H]1CCCN(S(=O)(=O)CCC2Cc3ccccc3C2)C1	ZINC000330236840	729800568	/nfs/dbraw/zinc/80/05/68/729800568.db2.gz	HKBJZOHDOJDBST-GOSISDBHSA-N	0	0	350.484	2.562	10	30		FFEERN
Cc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1N1CCNC1=O	ZINC000330210641	971137339	/nfs/dbraw/zinc/13/73/39/971137339.db2.gz	IMINAKQPVAAKNG-YWZLYKJASA-N	0	0	372.469	2.902	10	30		FFEERN
C#CCN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1	ZINC000108785605	971631831	/nfs/dbraw/zinc/63/18/31/971631831.db2.gz	KHLZVZDZUJBYAN-VAMGGRTRSA-N	0	0	367.470	2.592	10	30		FFEERN
C=CCNC(=O)[C@H](C)OC(=O)/C=C/c1cc2c(cc1OCC)C[C@H](C)O2	ZINC000007829639	1013234245	/nfs/dbraw/zinc/23/42/45/1013234245.db2.gz	PKKHBOCINQGKON-SWICKSTGSA-N	0	0	359.422	2.656	10	30		FFEERN
C[C@@H]1CN(Cc2ccccc2NC(=O)N[C@@H]2CCCNC2=O)C[C@H](C)O1	ZINC000328700530	962210160	/nfs/dbraw/zinc/21/01/60/962210160.db2.gz	WGNWXACIWRGTLL-JKIFEVAISA-N	0	0	360.458	2.550	10	30		FFEERN
CSc1cc2c(cc1NC(=O)N1CC[C@H](c3cnn(C)c3)C1)OCCO2	ZINC000329331359	967648985	/nfs/dbraw/zinc/64/89/85/967648985.db2.gz	MIGZQMBZCDYBQY-LBPRGKRZSA-N	0	0	374.466	2.948	10	30		FFEERN
Cc1noc(CN2CCN(C(=O)N[C@@H](c3ncccc3C)C(C)C)CC2)n1	ZINC000329646971	967909359	/nfs/dbraw/zinc/90/93/59/967909359.db2.gz	BDSULFDCGILEJE-QGZVFWFLSA-N	0	0	372.473	2.510	10	30		FFEERN
O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)N[C@@H]1CCCNC1=O	ZINC000330092334	970367664	/nfs/dbraw/zinc/36/76/64/970367664.db2.gz	YMOBGDWMYHGAGS-OAHLLOKOSA-N	0	0	356.426	2.821	10	30		FFEERN
N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCCN(Cc2nccs2)C3)n1	ZINC000096073868	209108888	/nfs/dbraw/zinc/10/88/88/209108888.db2.gz	XYZNDHJLOVVPHE-QAPCUYQASA-N	0	0	355.467	2.645	10	30		FFEERN
N#Cc1ccc(OC2CCC(NC(=O)c3ncncc3Cl)CC2)nc1	ZINC000092035138	249966235	/nfs/dbraw/zinc/96/62/35/249966235.db2.gz	ZZOJAXICRGOTDW-UHFFFAOYSA-N	0	0	357.801	2.517	10	30		FFEERN
C=CCN(c1ccccc1)S(=O)(=O)c1cc(Br)cnc1N	ZINC000020467537	206747703	/nfs/dbraw/zinc/74/77/03/206747703.db2.gz	YWJACCOTBBJFNM-UHFFFAOYSA-N	0	0	368.256	2.808	10	30		FFEERN
CN(C)c1ccc(/C=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000005797761	207117650	/nfs/dbraw/zinc/11/76/50/207117650.db2.gz	WXSPIDYEHRWQQW-HKWRFOASSA-N	0	0	373.478	2.524	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)COCc1ccccc1	ZINC000173531953	251200661	/nfs/dbraw/zinc/20/06/61/251200661.db2.gz	AQVWCVKPERYSSS-HNNXBMFYSA-N	0	0	351.406	2.527	10	30		FFEERN
N#CCN(CC#N)c1ncnc(Nc2cccc3ncccc32)c1[N+](=O)[O-]	ZINC000040618002	208258715	/nfs/dbraw/zinc/25/87/15/208258715.db2.gz	JMBLZJNFQZBCDK-UHFFFAOYSA-N	0	0	360.337	2.530	10	30		FFEERN
C[N@@H+]1CCO[C@H]2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@H]21	ZINC000328991364	258126450	/nfs/dbraw/zinc/12/64/50/258126450.db2.gz	SKSDRRBJSDEHPT-SJORKVTESA-N	0	0	374.391	2.617	10	30		FFEERN
COC(=O)c1ccc(C(F)(F)F)c(I)c1C#N	ZINC000575392228	518209335	/nfs/dbraw/zinc/20/93/35/518209335.db2.gz	FJGNEMBWUUDYGJ-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
C=CCC(O)(CC=C)c1nc2c([nH]1)C(=O)NC[C@H](c1cccc(OC)c1)C2	ZINC000065395176	506293081	/nfs/dbraw/zinc/29/30/81/506293081.db2.gz	BQARAOZIWZCESZ-OAHLLOKOSA-N	0	0	367.449	2.828	10	30		FFEERN
C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(C)C)cc1	ZINC000067320785	506826957	/nfs/dbraw/zinc/82/69/57/506826957.db2.gz	RKKPCOAPRCPMPP-HNNXBMFYSA-N	0	0	357.454	2.600	10	30		FFEERN
Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)C#N)c2)cc1	ZINC000068925737	507363596	/nfs/dbraw/zinc/36/35/96/507363596.db2.gz	ISSSJDRMRHAKPO-CQSZACIVSA-N	0	0	357.435	2.746	10	30		FFEERN
C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCCN(c2ncccc2C#N)CC1	ZINC000064634213	507805721	/nfs/dbraw/zinc/80/57/21/507805721.db2.gz	ROGZPLZADFPBGR-ZIFCJYIRSA-N	0	0	369.513	2.549	10	30		FFEERN
C=CCn1c(SCc2nnnn2C(C)C)nnc1-c1ccccc1OC	ZINC000107078292	507834641	/nfs/dbraw/zinc/83/46/41/507834641.db2.gz	AXBWZOMQWVXLQS-UHFFFAOYSA-N	0	0	371.470	2.999	10	30		FFEERN
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@H](C#N)C2CC2)cc1	ZINC000108831510	507921136	/nfs/dbraw/zinc/92/11/36/507921136.db2.gz	YVFFQEKVZRCZOY-LJQANCHMSA-N	0	0	358.401	2.726	10	30		FFEERN
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1	ZINC000108831508	507921284	/nfs/dbraw/zinc/92/12/84/507921284.db2.gz	YVFFQEKVZRCZOY-IBGZPJMESA-N	0	0	358.401	2.726	10	30		FFEERN
Cc1c(C(=O)N[C@@H](C#N)C2CC2)cnn1-c1ccc(Br)cc1	ZINC000108839905	507921404	/nfs/dbraw/zinc/92/14/04/507921404.db2.gz	SCUDWQPJLSYOJR-HNNXBMFYSA-N	0	0	359.227	2.975	10	30		FFEERN
Cc1c(C(=O)N[C@H](C#N)C2CC2)cnn1-c1ccc(Br)cc1	ZINC000108839909	507921433	/nfs/dbraw/zinc/92/14/33/507921433.db2.gz	SCUDWQPJLSYOJR-OAHLLOKOSA-N	0	0	359.227	2.975	10	30		FFEERN
COc1ccc(-c2noc(CCc3c(C)nn(CCC#N)c3C)n2)cn1	ZINC000109589585	507970304	/nfs/dbraw/zinc/97/03/04/507970304.db2.gz	TWXFEABSFWRDCI-UHFFFAOYSA-N	0	0	352.398	2.652	10	30		FFEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)CSCc1ccc(C#N)cc1	ZINC000088197091	508356347	/nfs/dbraw/zinc/35/63/47/508356347.db2.gz	KZFKBSVJNQSHJM-OAHLLOKOSA-N	0	0	355.467	2.597	10	30		FFEERN
C=CCc1cc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)cc(OC)c1O	ZINC000122565766	508555401	/nfs/dbraw/zinc/55/54/01/508555401.db2.gz	CSYOXWGCRXSTDD-IBGZPJMESA-N	0	0	371.481	2.844	10	30		FFEERN
N#CCOc1ccc(CC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cc1	ZINC000154108091	508717952	/nfs/dbraw/zinc/71/79/52/508717952.db2.gz	DSPKSKAYFRLBRQ-AEFFLSMTSA-N	0	0	354.406	2.839	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000159634110	508869507	/nfs/dbraw/zinc/86/95/07/508869507.db2.gz	PJRHQBOMONERHV-MRXNPFEDSA-N	0	0	369.469	2.781	10	30		FFEERN
Fc1ccc(C#CCN2CCCN(Cc3noc(C4CC4)n3)CC2)cc1	ZINC000159955621	508916699	/nfs/dbraw/zinc/91/66/99/508916699.db2.gz	VDUGOQVRWPKMFU-UHFFFAOYSA-N	0	0	354.429	2.646	10	30		FFEERN
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1	ZINC000125775670	509028636	/nfs/dbraw/zinc/02/86/36/509028636.db2.gz	DDPHBDDZRUGHFJ-GHMZBOCLSA-N	0	0	359.348	2.636	10	30		FFEERN
COc1cc(C#N)ccc1CN1CCCN(C(=O)c2cccs2)CC1	ZINC000120949963	509095075	/nfs/dbraw/zinc/09/50/75/509095075.db2.gz	OFGNACCMAWNFSD-UHFFFAOYSA-N	0	0	355.463	2.976	10	30		FFEERN
Cc1nc(CN2CCCN(C(=O)c3ccc(C#N)cc3C)CC2)cs1	ZINC000121096084	509127022	/nfs/dbraw/zinc/12/70/22/509127022.db2.gz	PNUUHNPSOVNUMU-UHFFFAOYSA-N	0	0	354.479	2.980	10	30		FFEERN
CN(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1	ZINC000156245475	509149314	/nfs/dbraw/zinc/14/93/14/509149314.db2.gz	ZQLGVNLHAYVMAO-MRXNPFEDSA-N	0	0	363.870	2.793	10	30		FFEERN
CCCC(C#N)(CCC)NC(=O)C1CCN(C(=O)c2ccccn2)CC1	ZINC000121578236	509178925	/nfs/dbraw/zinc/17/89/25/509178925.db2.gz	LOMSHYUNCMDSHX-UHFFFAOYSA-N	0	0	356.470	2.913	10	30		FFEERN
CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCCN1C(=O)c1cccnc1	ZINC000172752784	509213252	/nfs/dbraw/zinc/21/32/52/509213252.db2.gz	XODURUBFXUXOAO-IBGZPJMESA-N	0	0	362.433	2.607	10	30		FFEERN
C[C@H](NC(=O)Nc1ncccc1OCCCC#N)c1nnc2n1CCCC2	ZINC000188721992	509229785	/nfs/dbraw/zinc/22/97/85/509229785.db2.gz	ZGQJQGUPMJDZAD-ZDUSSCGKSA-N	0	0	369.429	2.575	10	30		FFEERN
CC[C@@H](C#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000179239714	509335270	/nfs/dbraw/zinc/33/52/70/509335270.db2.gz	GSEAHNYUACLGRT-OALUTQOASA-N	0	0	365.433	2.942	10	30		FFEERN
CN1C(=O)CC[C@@H](C(=O)Nc2ccc(C#N)c(C#N)c2)[C@@H]1c1ccccc1	ZINC000173097560	509391302	/nfs/dbraw/zinc/39/13/02/509391302.db2.gz	WABYIVGRANJMTN-QUCCMNQESA-N	0	0	358.401	2.978	10	30		FFEERN
N#CCCN(C[C@@H](O)COc1cccc(Br)c1)CC1CC1	ZINC000176258377	509407861	/nfs/dbraw/zinc/40/78/61/509407861.db2.gz	AECGPLVZXVETPW-OAHLLOKOSA-N	0	0	353.260	2.814	10	30		FFEERN
N#Cc1ccc(OC[C@H](O)CN2CC3(CCOCC3)c3ccccc32)cc1	ZINC000192277470	509439320	/nfs/dbraw/zinc/43/93/20/509439320.db2.gz	NOSOUJIRKWNQBG-GOSISDBHSA-N	0	0	364.445	2.866	10	30		FFEERN
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1C[C@H](OCC)C12CCOCC2	ZINC000185988460	509466717	/nfs/dbraw/zinc/46/67/17/509466717.db2.gz	WBZISSVXZRQUPU-OALUTQOASA-N	0	0	374.456	2.945	10	30		FFEERN
C[C@H](CC(=O)N1CCCCCC1)Nc1cnn(-c2ncccc2C#N)c1	ZINC000186017834	509482069	/nfs/dbraw/zinc/48/20/69/509482069.db2.gz	QTUUNYIJWKQGNQ-OAHLLOKOSA-N	0	0	352.442	2.732	10	30		FFEERN
C=CCCO[C@H](C)C(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1	ZINC000176587098	509597624	/nfs/dbraw/zinc/59/76/24/509597624.db2.gz	FDFMFXAVFOLOCZ-XHSDSOJGSA-N	0	0	352.500	2.607	10	30		FFEERN
CC(C)c1ccc([C@@H](C)NC(=O)CCNC(=O)C2N=CC=CC2=O)cc1	ZINC000173653662	509699908	/nfs/dbraw/zinc/69/99/08/509699908.db2.gz	RGNUOMZXXSYXPX-BVGIJJTOSA-N	0	0	355.438	2.904	10	30		FFEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ncccc1OCCCC#N	ZINC000186445121	509713120	/nfs/dbraw/zinc/71/31/20/509713120.db2.gz	ICUWHBXMQLBYMU-CYBMUJFWSA-N	0	0	369.429	2.575	10	30		FFEERN
N#CC1(NC(=O)CNC2(c3noc(C4CC4)n3)CCCC2)CCCCC1	ZINC000173711873	509733439	/nfs/dbraw/zinc/73/34/39/509733439.db2.gz	AZUBOSLWMTYFTB-UHFFFAOYSA-N	0	0	357.458	2.649	10	30		FFEERN
N#Cc1ccc(-c2nnc(CN3CCO[C@H](c4nccs4)C3)o2)cc1	ZINC000173721868	509738100	/nfs/dbraw/zinc/73/81/00/509738100.db2.gz	GMVNMFBEXMTBEI-AWEZNQCLSA-N	0	0	353.407	2.638	10	30		FFEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCOc2ccccc21	ZINC000193085281	509774158	/nfs/dbraw/zinc/77/41/58/509774158.db2.gz	RTCVYTGTGIRCPG-GOSISDBHSA-N	0	0	352.438	2.986	10	30		FFEERN
COC[C@H](C)OC[C@H](C)OC[C@H](C)OS(=O)(=O)c1ccc(C)cc1	ZINC000242473370	509846851	/nfs/dbraw/zinc/84/68/51/509846851.db2.gz	FHXUXRSOESBUSF-JYJNAYRXSA-N	0	0	360.472	2.545	10	30		FFEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCc2c(nc(C(C)C)n2C)C1	ZINC000177060265	509848326	/nfs/dbraw/zinc/84/83/26/509848326.db2.gz	VINUTIPRTCRUBW-SFHVURJKSA-N	0	0	352.438	2.688	10	30		FFEERN
C[C@H](C#N)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F	ZINC000245394139	509897363	/nfs/dbraw/zinc/89/73/63/509897363.db2.gz	XHSIVJNZAOUBNZ-SKNMWMDOSA-N	0	0	361.392	2.766	10	30		FFEERN
C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCCN(c2ncccc2C#N)CC1	ZINC000255561119	509929549	/nfs/dbraw/zinc/92/95/49/509929549.db2.gz	ROGZPLZADFPBGR-AOIWGVFYSA-N	0	0	369.513	2.549	10	30		FFEERN
N#Cc1nn(-c2ccccc2C(F)(F)F)nc1N1CCCC[C@@H]1CCO	ZINC000256046193	509942917	/nfs/dbraw/zinc/94/29/17/509942917.db2.gz	DKGOJBMEFBCVCT-GFCCVEGCSA-N	0	0	365.359	2.899	10	30		FFEERN
Cc1oc(NC(=O)[C@H](C)N2CCCN(c3ccccn3)CC2)c(C#N)c1C	ZINC000183825563	509994372	/nfs/dbraw/zinc/99/43/72/509994372.db2.gz	ZCVJYMDXEMNQQA-HNNXBMFYSA-N	0	0	367.453	2.702	10	30		FFEERN
N#Cc1ccccc1CSCCNC(=O)N1CCC[C@@H]1Cn1ccnc1	ZINC000177363535	510014064	/nfs/dbraw/zinc/01/40/64/510014064.db2.gz	BGSDEWCFEPOFEZ-GOSISDBHSA-N	0	0	369.494	2.862	10	30		FFEERN
CCc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)n1	ZINC000177517701	510111171	/nfs/dbraw/zinc/11/11/71/510111171.db2.gz	VSAIJMSHBSGPSS-CQSZACIVSA-N	0	0	368.462	2.922	10	30		FFEERN
CC(=O)N1CC[C@H](NC(=O)c2sccc2C#N)c2ccc(F)cc2C1	ZINC000184163925	510167976	/nfs/dbraw/zinc/16/79/76/510167976.db2.gz	URLSKGYRUVKYOI-INIZCTEOSA-N	0	0	357.410	2.982	10	30		FFEERN
Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000245944980	510222016	/nfs/dbraw/zinc/22/20/16/510222016.db2.gz	NLKMKHXWCQIRFA-XBPCWFMRSA-N	0	0	371.529	2.975	10	30		FFEERN
N#Cc1cccc(OCCCCC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1	ZINC000181396847	510390845	/nfs/dbraw/zinc/39/08/45/510390845.db2.gz	LXQXQBTZAZSLGB-KRWDZBQOSA-N	0	0	353.426	2.979	10	30		FFEERN
Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000184966692	510607344	/nfs/dbraw/zinc/60/73/44/510607344.db2.gz	ZPWZMQZJOJUIQF-AWEZNQCLSA-N	0	0	364.858	2.570	10	30		FFEERN
CN(C(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccco1)C1(C#N)CCCCC1	ZINC000246693612	510621719	/nfs/dbraw/zinc/62/17/19/510621719.db2.gz	RLXZOWIHMNWEQF-IAGOWNOFSA-N	0	0	359.470	2.852	10	30		FFEERN
Cc1ccc2oc(N3CCN(C(=O)c4ccc(C#N)c(O)c4)CC3)nc2c1	ZINC000188394545	510744912	/nfs/dbraw/zinc/74/49/12/510744912.db2.gz	PZAIHQKSPJYLSW-UHFFFAOYSA-N	0	0	362.389	2.676	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000246930907	510753142	/nfs/dbraw/zinc/75/31/42/510753142.db2.gz	ASPWQJUAYMPYTG-IAGOWNOFSA-N	0	0	373.526	2.655	10	30		FFEERN
COc1ccnc(N2CCC(C(=O)O[C@H](C)c3ccc(C#N)cc3)CC2)n1	ZINC000175799817	510796991	/nfs/dbraw/zinc/79/69/91/510796991.db2.gz	CYRMKYARSSAURF-CQSZACIVSA-N	0	0	366.421	2.878	10	30		FFEERN
C[C@@H]1CN(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)C[C@H](C2CC2)O1	ZINC000329947010	510884591	/nfs/dbraw/zinc/88/45/91/510884591.db2.gz	GSHXJPPIJRYJDK-GBYFWLHCSA-N	0	0	371.481	2.619	10	30		FFEERN
C[C@H]1CSCCN(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)C1	ZINC000329954036	510885332	/nfs/dbraw/zinc/88/53/32/510885332.db2.gz	JTLCGBIKOREZNN-HFTRVMKXSA-N	0	0	361.511	2.805	10	30		FFEERN
CC(C)n1ncc2c1C[C@H](NC(=O)N1CC[C@]3(O)CCCC[C@H]3C1)CC2	ZINC000330053228	510907690	/nfs/dbraw/zinc/90/76/90/510907690.db2.gz	QDSNIOVZEZRKTB-SQGPQFPESA-N	0	0	360.502	2.862	10	30		FFEERN
O=C(N[C@H]1CCCN(c2cccnc2)C1=O)[C@H]1CCO[C@@H]1c1cccnc1	ZINC000330100006	510915396	/nfs/dbraw/zinc/91/53/96/510915396.db2.gz	HQSBIPXXTXGJAJ-OKZBNKHCSA-N	0	0	366.421	2.706	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC1CCN(CC(F)(F)F)CC1	ZINC000330133188	510922261	/nfs/dbraw/zinc/92/22/61/510922261.db2.gz	GIVBFUJBXIJSSB-UKRRQHHQSA-N	0	0	374.407	2.729	10	30		FFEERN
Cc1cc([C@@H]2CCCN(C(=O)NC3CCN(c4ccccn4)CC3)C2)[nH]n1	ZINC000328662503	511911600	/nfs/dbraw/zinc/91/16/00/511911600.db2.gz	APRGPYFADJVWNN-MRXNPFEDSA-N	0	0	368.485	2.876	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H]3CCC(=O)NC34CCC4)C2)n1	ZINC000328681078	511913816	/nfs/dbraw/zinc/91/38/16/511913816.db2.gz	CIOIHXZEJQJART-CVEARBPZSA-N	0	0	374.489	2.563	10	30		FFEERN
COc1cc2c(cc1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)O[C@@H](C)C2	ZINC000328846428	511940094	/nfs/dbraw/zinc/94/00/94/511940094.db2.gz	ALLDYKZCVNVMLE-SVBQJQNYSA-N	0	0	373.453	2.920	10	30		FFEERN
O=C(N[C@H]1CCCN(c2ccccc2F)C1)N1CCc2cncnc2C1	ZINC000328905126	511947394	/nfs/dbraw/zinc/94/73/94/511947394.db2.gz	ANPSJLPHBJBUDF-HNNXBMFYSA-N	0	0	355.417	2.557	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)C[C@H]21	ZINC000328995948	511964018	/nfs/dbraw/zinc/96/40/18/511964018.db2.gz	WKJHDVMPFXEFGX-HZPDHXFCSA-N	0	0	356.426	2.656	10	30		FFEERN
Cc1noc([C@H]2CCN(C(=O)Nc3cc(Br)ccn3)C2)n1	ZINC000329069509	511976463	/nfs/dbraw/zinc/97/64/63/511976463.db2.gz	YDNFCJCFEKKTKI-VIFPVBQESA-N	0	0	352.192	2.571	10	30		FFEERN
CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)[C@@H]1c1ccccc1	ZINC000329073334	511977475	/nfs/dbraw/zinc/97/74/75/511977475.db2.gz	OUHXSWIXHROVPE-UXPWSPDFSA-N	0	0	368.481	2.933	10	30		FFEERN
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CCCN1C(=O)c1cccs1	ZINC000329096971	511981991	/nfs/dbraw/zinc/98/19/91/511981991.db2.gz	BYWJRRGLKGDLNZ-QWQRMKEZSA-N	0	0	364.467	2.647	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H]1CCOC2(CCCC2)C1	ZINC000329100782	511983144	/nfs/dbraw/zinc/98/31/44/511983144.db2.gz	ZMLXYJATRCCHBR-JYJNAYRXSA-N	0	0	362.474	2.728	10	30		FFEERN
COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000329207487	512005478	/nfs/dbraw/zinc/00/54/78/512005478.db2.gz	FFTFSVIUZVNVNB-OWLYRPNTSA-N	0	0	362.470	2.840	10	30		FFEERN
CC(C)c1nc2c(n1C)CCN(C(=O)NC[C@H]1COc3ccccc3O1)C2	ZINC000329469876	512053354	/nfs/dbraw/zinc/05/33/54/512053354.db2.gz	YKJXFDMCXGMWNJ-AWEZNQCLSA-N	0	0	370.453	2.656	10	30		FFEERN
CS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C1	ZINC000329685316	512086669	/nfs/dbraw/zinc/08/66/69/512086669.db2.gz	UQFRZTCKVYFVRL-ARFHVFGLSA-N	0	0	363.531	2.932	10	30		FFEERN
O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N1CCc2cncnc2C1	ZINC000329700714	512088321	/nfs/dbraw/zinc/08/83/21/512088321.db2.gz	ZYPHZQBYEFFSPQ-AEFFLSMTSA-N	0	0	356.401	2.808	10	30		FFEERN
CC[C@]1(C)CN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CCO1	ZINC000373661588	512446409	/nfs/dbraw/zinc/44/64/09/512446409.db2.gz	YPEYLOXACWCHOP-FXAWDEMLSA-N	0	0	356.470	2.506	10	30		FFEERN
Cc1nnc([C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH]1	ZINC000407975703	512977618	/nfs/dbraw/zinc/97/76/18/512977618.db2.gz	HWKRVUGZXQKDKR-AWEZNQCLSA-N	0	0	365.846	2.554	10	30		FFEERN
COC(=O)Cc1cc(C#N)cc(I)c1C(F)F	ZINC000575389480	518208753	/nfs/dbraw/zinc/20/87/53/518208753.db2.gz	PUWUYXAQFVWOJT-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
CCOC(=O)c1cc(I)c(C#N)cc1OC(F)F	ZINC000575386065	518208770	/nfs/dbraw/zinc/20/87/70/518208770.db2.gz	JABZMDPKCFNINS-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
N#CCc1cc(I)c(OC(F)F)cc1[N+](=O)[O-]	ZINC000575667444	518245343	/nfs/dbraw/zinc/24/53/43/518245343.db2.gz	OOSCIPBFGGZRFP-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
N#Cc1c(I)c(Br)ccc1[N+](=O)[O-]	ZINC000575691174	518247800	/nfs/dbraw/zinc/24/78/00/518247800.db2.gz	BCZYNSHZFPBTJB-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
Cc1cc(C#N)nc(N[C@@H]2CCO[C@H]2c2cncc(Br)c2)n1	ZINC000583739766	519410281	/nfs/dbraw/zinc/41/02/81/519410281.db2.gz	WHSLTQASHIGRKX-KGLIPLIRSA-N	0	0	360.215	2.756	10	30		FFEERN
C#Cc1cccc(N(C)C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)c1	ZINC000103030319	728493655	/nfs/dbraw/zinc/49/36/55/728493655.db2.gz	IQGGIBFTBLLROI-UHFFFAOYSA-N	0	0	368.336	2.633	10	30		FFEERN
C#CCOc1ccccc1OC(=O)Cc1ccc(S(=O)(=O)CC)cc1	ZINC000107190804	728515249	/nfs/dbraw/zinc/51/52/49/728515249.db2.gz	VITRPPAXYSFBNK-UHFFFAOYSA-N	0	0	358.415	2.640	10	30		FFEERN
C=C[C@@H](CC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1	ZINC000123125075	728655381	/nfs/dbraw/zinc/65/53/81/728655381.db2.gz	PJBLQMBIELJMDC-CABCVRRESA-N	0	0	358.463	2.871	10	30		FFEERN
COc1cc(C=NN=C2NC(=O)CS2)ccc1OCc1ccccc1	ZINC000252462524	729624394	/nfs/dbraw/zinc/62/43/94/729624394.db2.gz	TVSWOCKDVQOPDU-UHFFFAOYSA-N	0	0	355.419	2.827	10	30		FFEERN
O=C(NC[C@H]1CCCCS1)N[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000329502245	729797574	/nfs/dbraw/zinc/79/75/74/729797574.db2.gz	GKUHXBVBBHNOFU-OCCSQVGLSA-N	0	0	354.497	2.694	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCC3CCSCC3)C2)n1	ZINC000329627937	729798243	/nfs/dbraw/zinc/79/82/43/729798243.db2.gz	HCSWYOOHVXCEBB-MRXNPFEDSA-N	0	0	351.520	2.664	10	30		FFEERN
COc1ccccc1C(=O)N[C@H](C(=O)N1CCOCC2(CC2)C1)C(C)C	ZINC000329314186	967639957	/nfs/dbraw/zinc/63/99/57/967639957.db2.gz	DKBFREZKJKTMGO-KRWDZBQOSA-N	0	0	360.454	2.663	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCC(c3nccs3)CC1)CC2	ZINC000329470825	967736699	/nfs/dbraw/zinc/73/66/99/967736699.db2.gz	YOFVECFFXPJLNV-AWEZNQCLSA-N	0	0	374.514	2.966	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329594281	967832073	/nfs/dbraw/zinc/83/20/73/967832073.db2.gz	OPJBXRKDZAXHNC-BBRMVZONSA-N	0	0	356.474	2.864	10	30		FFEERN
C#CCOc1cccc(COC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)c1	ZINC000107021091	976544286	/nfs/dbraw/zinc/54/42/86/976544286.db2.gz	AZPCSUBPJHBJMC-IBGZPJMESA-N	0	0	366.417	2.591	10	30		FFEERN
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1	ZINC000102121144	1005030994	/nfs/dbraw/zinc/03/09/94/1005030994.db2.gz	HZKPCACHIAECPF-INIZCTEOSA-N	0	0	353.334	2.873	10	30		FFEERN
N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCC(=O)C2CC2)CC1	ZINC000109370070	1005820175	/nfs/dbraw/zinc/82/01/75/1005820175.db2.gz	HBAQDYJQGZHZBV-UHFFFAOYSA-N	0	0	369.377	2.545	10	30		FFEERN
CCc1cccc2c(CC(=O)[C@H](C#N)C(=O)NCCCOC(C)C)c[nH]c21	ZINC000109413087	1005826544	/nfs/dbraw/zinc/82/65/44/1005826544.db2.gz	BMFWDTJPOMKDAM-SFHVURJKSA-N	0	0	369.465	2.913	10	30		FFEERN
O=S(=O)(c1ccccc1)n1c(C#CCCO)cc2c1nccc2Cl	ZINC000095937859	210087772	/nfs/dbraw/zinc/08/77/72/210087772.db2.gz	IHLVGYHKCOYSKP-UHFFFAOYSA-N	0	0	360.822	2.661	10	30		FFEERN
O=[N+]([O-])c1cccc(C=NN2C(=S)N=NC2COc2ccccc2)c1	ZINC000015988008	211152382	/nfs/dbraw/zinc/15/23/82/211152382.db2.gz	ATFCBSDGKGRTCO-YVLHZVERSA-N	0	0	355.379	2.936	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000106368903	250265508	/nfs/dbraw/zinc/26/55/08/250265508.db2.gz	HVYASQWXGQRKHE-MRXNPFEDSA-N	0	0	362.430	2.574	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3C#N)C2)c1	ZINC000106222654	250258646	/nfs/dbraw/zinc/25/86/46/250258646.db2.gz	LWIOSJAQCJZAJL-MRXNPFEDSA-N	0	0	357.845	2.992	10	30		FFEERN
N#Cc1ccc(OC2CN(C(=O)N[C@@H]3CCCC[C@@H]3n3cccn3)C2)cc1	ZINC000153289070	251122347	/nfs/dbraw/zinc/12/23/47/251122347.db2.gz	JHZQFPJXAWKBMB-MOPGFXCFSA-N	0	0	365.437	2.711	10	30		FFEERN
N#Cc1ccc(CN2c3ccccc3C[C@H]2C(N)=O)c(Br)c1	ZINC000181162480	251250268	/nfs/dbraw/zinc/25/02/68/251250268.db2.gz	BNCAMTZWGUKDPY-INIZCTEOSA-N	0	0	356.223	2.737	10	30		FFEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000192500841	251279930	/nfs/dbraw/zinc/27/99/30/251279930.db2.gz	SVLMLCIWIJMEAP-OAHLLOKOSA-N	0	0	366.421	2.693	10	30		FFEERN
CCc1nn(C)c(Cl)c1CN1CCN(c2ccc(C)c(C#N)n2)CC1	ZINC000302624586	258106837	/nfs/dbraw/zinc/10/68/37/258106837.db2.gz	HQLFWBQIWIHNPD-UHFFFAOYSA-N	0	0	358.877	2.533	10	30		FFEERN
Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@H](N2CCOCC2)[C@@H](C)C1	ZINC000301577732	258056646	/nfs/dbraw/zinc/05/66/46/258056646.db2.gz	OHUQIPKUKARXNN-KSSFIOAISA-N	0	0	354.429	2.711	10	30		FFEERN
CN1C(=O)C(=CC2=CC(=NNc3ccccc3)C=CC2=O)SC1=S	ZINC000100537615	222246722	/nfs/dbraw/zinc/24/67/22/222246722.db2.gz	ISJVERODGBEARC-KZERWYRBSA-N	0	0	355.444	2.894	10	30		FFEERN
COC(=O)c1c(I)cc(C#N)cc1C(F)(F)F	ZINC000575392283	518209256	/nfs/dbraw/zinc/20/92/56/518209256.db2.gz	GXRQCQWSVNOQOR-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
COC(=O)c1c(I)ccc(C(F)(F)F)c1C#N	ZINC000575392694	518209346	/nfs/dbraw/zinc/20/93/46/518209346.db2.gz	NYMKXCPRJLZWRG-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
COC(=O)c1cc(OC(F)F)cc(I)c1C#N	ZINC000575386548	518208756	/nfs/dbraw/zinc/20/87/56/518208756.db2.gz	YBEDEIOVVMHKLY-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
CN(C)/C=C(/C(=O)C(Cl)(Cl)Cl)c1nnnn1-c1ccccc1	ZINC000033701872	506361480	/nfs/dbraw/zinc/36/14/80/506361480.db2.gz	IVBYHWGGWHZRTM-NTMALXAHSA-N	0	0	360.632	2.504	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2C1=O	ZINC000006905572	506515739	/nfs/dbraw/zinc/51/57/39/506515739.db2.gz	KOEBKZPSZPSPSI-UHFFFAOYSA-N	0	0	363.373	2.679	10	30		FFEERN
COc1ccccc1C(=O)N[C@@H](C(=O)NCc1cccc(C#N)c1)C(C)C	ZINC000045406113	506960915	/nfs/dbraw/zinc/96/09/15/506960915.db2.gz	NNOIFZLGBFEVPO-LJQANCHMSA-N	0	0	365.433	2.638	10	30		FFEERN
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCSCC3)C2)c(F)c1	ZINC000069151585	507421358	/nfs/dbraw/zinc/42/13/58/507421358.db2.gz	UKWLGDGXIIPABD-HNNXBMFYSA-N	0	0	362.474	2.815	10	30		FFEERN
N#Cc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)nc1	ZINC000107553028	507857351	/nfs/dbraw/zinc/85/73/51/507857351.db2.gz	YIVKQTUXPJBHND-UHFFFAOYSA-N	0	0	358.804	2.704	10	30		FFEERN
Cc1cccc(N2CCC(NC(=O)Cc3cccc(OCC#N)c3)CC2)n1	ZINC000089770750	507864165	/nfs/dbraw/zinc/86/41/65/507864165.db2.gz	AMDOQDALBSMWNT-UHFFFAOYSA-N	0	0	364.449	2.620	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1	ZINC000089837449	507873536	/nfs/dbraw/zinc/87/35/36/507873536.db2.gz	RPCOCTTXTXVQPW-XTXLJPNXSA-N	0	0	359.429	2.736	10	30		FFEERN
N#C[C@H](NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)C1CC1	ZINC000108827773	507920813	/nfs/dbraw/zinc/92/08/13/507920813.db2.gz	ACZWVTRNEQZKJE-PKOBYXMFSA-N	0	0	361.401	2.661	10	30		FFEERN
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1	ZINC000109502826	507966218	/nfs/dbraw/zinc/96/62/18/507966218.db2.gz	HYLIOTPKBUEGPB-CYBMUJFWSA-N	0	0	360.373	2.715	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O	ZINC000110425292	508027090	/nfs/dbraw/zinc/02/70/90/508027090.db2.gz	YOWZDYVSFIPIOX-CQSZACIVSA-N	0	0	364.401	2.552	10	30		FFEERN
C=CCNC(=O)NC(=O)CN1C[C@@H](c2ccccc2Cl)OCC1(C)C	ZINC000111308518	508089156	/nfs/dbraw/zinc/08/91/56/508089156.db2.gz	WPZFJTNIQSSUFU-HNNXBMFYSA-N	0	0	365.861	2.504	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCN([C@H](C)c3nc(CC)no3)CC2)cc1	ZINC000112035383	508145500	/nfs/dbraw/zinc/14/55/00/508145500.db2.gz	KMNLUNXNEFPKJR-OAHLLOKOSA-N	0	0	370.453	2.716	10	30		FFEERN
N#CCOc1ccccc1C(=O)N1CCCN(C(=O)c2cccs2)CC1	ZINC000112307434	508172964	/nfs/dbraw/zinc/17/29/64/508172964.db2.gz	WADVCEMSUHVCTH-UHFFFAOYSA-N	0	0	369.446	2.639	10	30		FFEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C	ZINC000081451586	508176549	/nfs/dbraw/zinc/17/65/49/508176549.db2.gz	OQLNSNCAQLDZOU-OAHLLOKOSA-N	0	0	362.474	2.535	10	30		FFEERN
COc1ccc(-c2nc(NC(=O)CN3CCCCCCC3=O)n[nH]2)cc1	ZINC000076399159	508201634	/nfs/dbraw/zinc/20/16/34/508201634.db2.gz	JVNCWOYNIQHSOV-UHFFFAOYSA-N	0	0	357.414	2.861	10	30		FFEERN
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H]1C[C@H]1C	ZINC000076602942	508229940	/nfs/dbraw/zinc/22/99/40/508229940.db2.gz	OWQHUPIHLOMNBP-KUHUBIRLSA-N	0	0	363.417	2.909	10	30		FFEERN
CN(CC(=O)NC(C)(C)C)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000102802752	508285348	/nfs/dbraw/zinc/28/53/48/508285348.db2.gz	HMPUPCKLXCGSNX-UHFFFAOYSA-N	0	0	354.357	2.538	10	30		FFEERN
N#CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl	ZINC000104351687	508332559	/nfs/dbraw/zinc/33/25/59/508332559.db2.gz	QSRWUJUBNABSEM-QGZVFWFLSA-N	0	0	353.809	2.547	10	30		FFEERN
C=C(C)CN(CC)C(=O)CN1CCN(c2nc3cc(C)ccc3o2)CC1	ZINC000106095407	508393021	/nfs/dbraw/zinc/39/30/21/508393021.db2.gz	VQDUXBGGOZRJHY-UHFFFAOYSA-N	0	0	356.470	2.683	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(CCOc3ccccc3C#N)CC2)cn1	ZINC000106144309	508396493	/nfs/dbraw/zinc/39/64/93/508396493.db2.gz	IIQOQFFQBKEUCB-UHFFFAOYSA-N	0	0	367.497	2.706	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1c1noc(C(C)C)n1	ZINC000127294409	508427891	/nfs/dbraw/zinc/42/78/91/508427891.db2.gz	HORRVHFGBQJUNB-OAHLLOKOSA-N	0	0	367.409	2.675	10	30		FFEERN
C=CC[C@H](C)NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1	ZINC000116863259	508568694	/nfs/dbraw/zinc/56/86/94/508568694.db2.gz	YLPZGYGIYKEFRN-DOTOQJQBSA-N	0	0	352.500	2.769	10	30		FFEERN
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1nnc2n1CCCC2	ZINC000153470474	508586008	/nfs/dbraw/zinc/58/60/08/508586008.db2.gz	HLGNXABRSZMTJU-AWEZNQCLSA-N	0	0	355.417	2.660	10	30		FFEERN
CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1C#N	ZINC000157625102	508589215	/nfs/dbraw/zinc/58/92/15/508589215.db2.gz	ZEGJPMQQLQPEKC-QAPCUYQASA-N	0	0	372.469	2.530	10	30		FFEERN
COc1cc(C#N)ccc1OCCN1CCO[C@@H](c2nc(C)cs2)C1	ZINC000157724132	508602533	/nfs/dbraw/zinc/60/25/33/508602533.db2.gz	FIMUPLWRDBWLQL-QGZVFWFLSA-N	0	0	359.451	2.784	10	30		FFEERN
COc1cc(C#N)ccc1OCCN1CCO[C@H](c2nc(C)cs2)C1	ZINC000157723982	508602746	/nfs/dbraw/zinc/60/27/46/508602746.db2.gz	FIMUPLWRDBWLQL-KRWDZBQOSA-N	0	0	359.451	2.784	10	30		FFEERN
CCOc1cc(C)nc(N2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)n1	ZINC000118398266	508648994	/nfs/dbraw/zinc/64/89/94/508648994.db2.gz	RLKYDJNGGPPATH-INIZCTEOSA-N	0	0	351.454	2.939	10	30		FFEERN
CCOc1cc(C)nc(N2CCN([C@H](C)c3ccc(C#N)cc3)CC2)n1	ZINC000118398267	508649527	/nfs/dbraw/zinc/64/95/27/508649527.db2.gz	RLKYDJNGGPPATH-MRXNPFEDSA-N	0	0	351.454	2.939	10	30		FFEERN
CC(C)Oc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1C#N	ZINC000153881331	508668673	/nfs/dbraw/zinc/66/86/73/508668673.db2.gz	OLSGRJLYJSHLCP-KRWDZBQOSA-N	0	0	366.421	2.564	10	30		FFEERN
CC(C)Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000123456593	508690217	/nfs/dbraw/zinc/69/02/17/508690217.db2.gz	GXNNYVCGIJPGFR-HNNXBMFYSA-N	0	0	367.453	2.811	10	30		FFEERN
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2nccs2)C1	ZINC000123578701	508708663	/nfs/dbraw/zinc/70/86/63/508708663.db2.gz	HDNROSUKBSXGJP-OAHLLOKOSA-N	0	0	357.435	2.772	10	30		FFEERN
N#CCOc1ccc(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cc1	ZINC000154107876	508717787	/nfs/dbraw/zinc/71/77/87/508717787.db2.gz	DSPKSKAYFRLBRQ-WMZOPIPTSA-N	0	0	354.406	2.839	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H](Oc2cccnc2)C1	ZINC000129415326	508723875	/nfs/dbraw/zinc/72/38/75/508723875.db2.gz	NQQYTWKAKPWQQB-KRWDZBQOSA-N	0	0	354.406	2.949	10	30		FFEERN
N#CCC[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1ccccc1	ZINC000151369163	509007012	/nfs/dbraw/zinc/00/70/12/509007012.db2.gz	OTGZNGRDFYAEHC-GOSISDBHSA-N	0	0	364.453	2.790	10	30		FFEERN
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)C#N)cc2)c1	ZINC000125821577	509033684	/nfs/dbraw/zinc/03/36/84/509033684.db2.gz	PNKPLTYLICLJCU-CQSZACIVSA-N	0	0	357.435	2.746	10	30		FFEERN
Cc1noc([C@@H]2COCCN2CC#Cc2ccc(OC(F)(F)F)cc2)n1	ZINC000160884979	509043378	/nfs/dbraw/zinc/04/33/78/509043378.db2.gz	ULCVWQACOGHXTP-HNNXBMFYSA-N	0	0	367.327	2.702	10	30		FFEERN
C#CCCOc1ccc(CN2CCN([C@H](C)c3nc(C)no3)CC2)cc1	ZINC000121304873	509164886	/nfs/dbraw/zinc/16/48/86/509164886.db2.gz	ULBHNGBTJRICFN-MRXNPFEDSA-N	0	0	354.454	2.659	10	30		FFEERN
C=C(C)[C@@H](NC(=O)N1CCC[C@@H](NC(C)=O)C1)c1ccc(F)c(F)c1	ZINC000185482920	509198798	/nfs/dbraw/zinc/19/87/98/509198798.db2.gz	MZKSUGPRGRZTPO-RHSMWYFYSA-N	0	0	351.397	2.892	10	30		FFEERN
CC1(C)OC(=O)C([C@@H]2C(=O)C=C[C@H]2Nc2ccc(F)cc2F)C(=O)O1	ZINC000198711442	509230645	/nfs/dbraw/zinc/23/06/45/509230645.db2.gz	LFSYXPOCJHOWRG-YPMHNXCESA-N	0	0	351.305	2.580	10	30		FFEERN
CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)cc2)c2ccc(F)cc2C1	ZINC000185562156	509237534	/nfs/dbraw/zinc/23/75/34/509237534.db2.gz	MVRAWPGEXRGEBF-IBGZPJMESA-N	0	0	351.381	2.921	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1	ZINC000248518635	509349756	/nfs/dbraw/zinc/34/97/56/509349756.db2.gz	ATTFPNLUXFNPSO-BBRMVZONSA-N	0	0	354.859	2.527	10	30		FFEERN
CC[C@H]1C(c2ccccc2)=[N+]([O-])[C@@](C)(C(=O)c2ccc(OC)cc2)N1O	ZINC000225404136	509370295	/nfs/dbraw/zinc/37/02/95/509370295.db2.gz	LVZDZMGPKWQUIU-PXNSSMCTSA-N	0	0	355.414	2.969	10	30		FFEERN
C[C@H]1CN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CCS1	ZINC000163929033	509441594	/nfs/dbraw/zinc/44/15/94/509441594.db2.gz	QRDABUJGXVVACR-NSHDSACASA-N	0	0	372.475	2.584	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC2CCN(CC(F)(F)F)CC2)cn1	ZINC000186021170	509483314	/nfs/dbraw/zinc/48/33/14/509483314.db2.gz	UOYVRRCSCWJPGB-UHFFFAOYSA-N	0	0	350.348	2.578	10	30		FFEERN
CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cccc(CC#N)c1	ZINC000176537239	509570652	/nfs/dbraw/zinc/57/06/52/509570652.db2.gz	NACQPMLVANIAAR-SFHVURJKSA-N	0	0	369.490	2.960	10	30		FFEERN
C=CCOCCCC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1	ZINC000176560246	509583553	/nfs/dbraw/zinc/58/35/53/509583553.db2.gz	GILXGFNEZWFDDL-INIZCTEOSA-N	0	0	352.500	2.529	10	30		FFEERN
Cc1ccc([C@H](CNC(=O)Cc2ccc(C#N)cc2)N2CCOCC2)s1	ZINC000176571027	509589449	/nfs/dbraw/zinc/58/94/49/509589449.db2.gz	SHKSOWQNAVAMGD-SFHVURJKSA-N	0	0	369.490	2.660	10	30		FFEERN
CN1C(=O)C[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000249134963	509617273	/nfs/dbraw/zinc/61/72/73/509617273.db2.gz	YOQAHGXDRQTWFB-NLWGTHIKSA-N	0	0	369.852	2.807	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@@H]21	ZINC000183230725	509668735	/nfs/dbraw/zinc/66/87/35/509668735.db2.gz	ODYZMQWVGQVWHA-YESZJQIVSA-N	0	0	355.438	2.934	10	30		FFEERN
Cn1cc(CN2CCO[C@@H](c3nccs3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180056370	509729582	/nfs/dbraw/zinc/72/95/82/509729582.db2.gz	UUPXRUWDVYDZPT-QGZVFWFLSA-N	0	0	365.462	2.989	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000173797388	509783926	/nfs/dbraw/zinc/78/39/26/509783926.db2.gz	PVWQLVKZCHWMOX-CQSZACIVSA-N	0	0	371.416	2.689	10	30		FFEERN
Cc1ccc([C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CCO2)o1	ZINC000180209876	509814625	/nfs/dbraw/zinc/81/46/25/509814625.db2.gz	ARIVPXOHJSYFRC-OAHLLOKOSA-N	0	0	366.826	2.875	10	30		FFEERN
COC[C@H](C)OC[C@@H](C)OC[C@H](C)OS(=O)(=O)c1ccc(C)cc1	ZINC000242473373	509846195	/nfs/dbraw/zinc/84/61/95/509846195.db2.gz	FHXUXRSOESBUSF-XHSDSOJGSA-N	0	0	360.472	2.545	10	30		FFEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H]1c1c(C)nn(C)c1C	ZINC000177058242	509846350	/nfs/dbraw/zinc/84/63/50/509846350.db2.gz	LBLXTOBPORMWNC-HKUYNNGSSA-N	0	0	352.438	2.960	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3sccc3C#N)C[C@@H]21	ZINC000183981041	510069810	/nfs/dbraw/zinc/06/98/10/510069810.db2.gz	NJKFZXCELQXPBU-MELADBBJSA-N	0	0	361.467	2.995	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](c2nccs2)C1	ZINC000177508193	510104352	/nfs/dbraw/zinc/10/43/52/510104352.db2.gz	HWOKNQJGJMBMSO-CQSZACIVSA-N	0	0	354.435	2.668	10	30		FFEERN
N#C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1	ZINC000265549706	510110221	/nfs/dbraw/zinc/11/02/21/510110221.db2.gz	YKTANPUCRLDUJG-HNNXBMFYSA-N	0	0	357.801	2.858	10	30		FFEERN
CCCCN1CCOC[C@@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000184219729	510200774	/nfs/dbraw/zinc/20/07/74/510200774.db2.gz	DKLRLXBQUFFNND-QGZVFWFLSA-N	0	0	368.399	2.674	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2CC[C@@H](CNc3ccccn3)C2)cc1Cl	ZINC000171646696	510274594	/nfs/dbraw/zinc/27/45/94/510274594.db2.gz	RIMVPYKGQWDZBW-AWEZNQCLSA-N	0	0	369.856	2.979	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000181195335	510296368	/nfs/dbraw/zinc/29/63/68/510296368.db2.gz	ZEUPRTNXPBCNSC-OAHLLOKOSA-N	0	0	369.425	2.598	10	30		FFEERN
CN(C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCCN(c2cccnn2)C1	ZINC000177905382	510317692	/nfs/dbraw/zinc/31/76/92/510317692.db2.gz	RPJQAOZNMQHUGA-HNNXBMFYSA-N	0	0	354.389	2.620	10	30		FFEERN
CC(C)c1nc2c(n1C)CCN(C(=O)NCc1ccc(OCC#N)cc1)C2	ZINC000171870519	510421225	/nfs/dbraw/zinc/42/12/25/510421225.db2.gz	XUSJPBLSOLVLHY-UHFFFAOYSA-N	0	0	367.453	2.714	10	30		FFEERN
Cn1nccc1C1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000184805300	510522614	/nfs/dbraw/zinc/52/26/14/510522614.db2.gz	XREMAFDWUJBZKI-UHFFFAOYSA-N	0	0	364.858	2.513	10	30		FFEERN
C=CCNc1ncc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)s1	ZINC000178549148	510657628	/nfs/dbraw/zinc/65/76/28/510657628.db2.gz	LNHXXGWYTUMISI-UHFFFAOYSA-N	0	0	369.450	2.845	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cn1	ZINC000188434080	510765713	/nfs/dbraw/zinc/76/57/13/510765713.db2.gz	YBSBMEGHOGRBLC-GFCCVEGCSA-N	0	0	363.389	2.800	10	30		FFEERN
CC[C@@H]1CCC[C@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C	ZINC000329986883	510893741	/nfs/dbraw/zinc/89/37/41/510893741.db2.gz	SGQSMDJPKUVSSL-MXSMSXNCSA-N	0	0	365.497	2.757	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC([O-])=[NH+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)C2)nn1	ZINC000330046029	510906410	/nfs/dbraw/zinc/90/64/10/510906410.db2.gz	INFBPXWNNTZGHQ-MFHCWRBVSA-N	0	0	363.465	2.596	10	30		FFEERN
CC(C)n1ncc2c1C[C@H](NC(=O)N1CC[C@]3(O)CCCC[C@@H]3C1)CC2	ZINC000330053227	510907715	/nfs/dbraw/zinc/90/77/15/510907715.db2.gz	QDSNIOVZEZRKTB-MBOZVWFJSA-N	0	0	360.502	2.862	10	30		FFEERN
Cn1cc(N2CCC[C@H](NC(=O)[C@H]3CCO[C@@H]3c3cccnc3)C2)cn1	ZINC000330117815	510919458	/nfs/dbraw/zinc/91/94/58/510919458.db2.gz	XMPWRHPFTREDNP-RYQLBKOJSA-N	0	0	355.442	2.518	10	30		FFEERN
CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CC(NC(=O)C3CCC3)C1)C2	ZINC000330187321	510932320	/nfs/dbraw/zinc/93/23/20/510932320.db2.gz	SXJGCLQKGAHUCC-AWEZNQCLSA-N	0	0	373.501	2.850	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1	ZINC000330199634	510935980	/nfs/dbraw/zinc/93/59/80/510935980.db2.gz	VRKPKXWBRIXCTP-OSAQELSMSA-N	0	0	368.275	2.709	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](C2CCCCC2)C1	ZINC000330272242	510953803	/nfs/dbraw/zinc/95/38/03/510953803.db2.gz	XIFAAJGJISZIHE-IXDOHACOSA-N	0	0	372.531	2.537	10	30		FFEERN
C#CCNC(=O)c1ccc(N[C@H](C)c2cnn(Cc3ccccc3)c2)nc1	ZINC000301811676	511702517	/nfs/dbraw/zinc/70/25/17/511702517.db2.gz	BREYCBGQSNOJJK-MRXNPFEDSA-N	0	0	359.433	2.863	10	30		FFEERN
COC(=O)c1c(Br)ccc(C#N)c1I	ZINC000307142312	511765724	/nfs/dbraw/zinc/76/57/24/511765724.db2.gz	DXKVQPBAYXUDDC-UHFFFAOYSA-N	0	0	365.952	2.712	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21	ZINC000284482784	511740558	/nfs/dbraw/zinc/74/05/58/511740558.db2.gz	BBZYASFKGUFWEQ-LSDHHAIUSA-N	0	0	368.359	2.514	10	30		FFEERN
NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1ccc(OCC3CC3)nc1)CC2	ZINC000328603519	511890252	/nfs/dbraw/zinc/89/02/52/511890252.db2.gz	GHQAWFWFCXWYGS-ZDUSSCGKSA-N	0	0	369.425	2.517	10	30		FFEERN
Cc1noc([C@H](NCc2ccc(O[C@@H](C)C#N)cc2)C2CCOCC2)n1	ZINC000328619484	511894619	/nfs/dbraw/zinc/89/46/19/511894619.db2.gz	FVWWDSVMOFYINJ-SCLBCKFNSA-N	0	0	356.426	2.926	10	30		FFEERN
O=C(CN1CCn2ccnc2C1)Nc1cc2c(cc1Cl)OCCCO2	ZINC000328658544	511910318	/nfs/dbraw/zinc/91/03/18/511910318.db2.gz	RFNKCUUYNDTKTA-UHFFFAOYSA-N	0	0	362.817	2.802	10	30		FFEERN
C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@H](n2cccn2)C1	ZINC000328696678	511915992	/nfs/dbraw/zinc/91/59/92/511915992.db2.gz	KYIHFRHVCVUXBT-ZBFHGGJFSA-N	0	0	356.426	2.968	10	30		FFEERN
CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCCn2cc(C)nc21	ZINC000328787099	511930745	/nfs/dbraw/zinc/93/07/45/511930745.db2.gz	LATLUCLHHVUOGN-UONOGXRCSA-N	0	0	350.488	2.727	10	30		FFEERN
Cc1ccc(CNC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c(O[C@H]2CCOC2)c1	ZINC000328813404	511935080	/nfs/dbraw/zinc/93/50/80/511935080.db2.gz	BTVILCFSOVLUGH-YQVWRLOYSA-N	0	0	360.454	2.734	10	30		FFEERN
CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1nccn1C)CC2	ZINC000328987804	511962118	/nfs/dbraw/zinc/96/21/18/511962118.db2.gz	CDYGSLMPQPDAST-BFYDXBDKSA-N	0	0	357.458	2.789	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@H](O)C2CCCCC2)CCC(=O)N1C1CC1	ZINC000328994855	511963839	/nfs/dbraw/zinc/96/38/39/511963839.db2.gz	JKHGWBLJTANODP-ATZDWAIDSA-N	0	0	374.485	2.512	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)Nc3ccnc(Oc4ccccc4)c3)C[C@H]21	ZINC000328995724	511964234	/nfs/dbraw/zinc/96/42/34/511964234.db2.gz	FKMXGHYXPNVHBV-QZTJIDSGSA-N	0	0	368.437	2.824	10	30		FFEERN
O=C(N[C@@H]1CCCNC1=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1	ZINC000329124011	511988566	/nfs/dbraw/zinc/98/85/66/511988566.db2.gz	XKKZJGDWHXTSFZ-CHWSQXEVSA-N	0	0	367.858	2.931	10	30		FFEERN
C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCc2cncnc2C1	ZINC000329165200	511997703	/nfs/dbraw/zinc/99/77/03/511997703.db2.gz	HFBWXDOTTRQGHR-CQSZACIVSA-N	0	0	365.437	2.638	10	30		FFEERN
CCn1ccnc1[C@H](NC(=O)N1CCS[C@H](C)C1)C1CCOCC1	ZINC000329246713	512012935	/nfs/dbraw/zinc/01/29/35/512012935.db2.gz	VVDMGWOOJXVHHC-UKRRQHHQSA-N	0	0	352.504	2.722	10	30		FFEERN
CC(=O)NC1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)CC1	ZINC000329275408	512018986	/nfs/dbraw/zinc/01/89/86/512018986.db2.gz	JWKDSRZEJHSBJW-OFLPRAFFSA-N	0	0	374.489	2.545	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N2CCCC3(CCCCC3)C2)CC(=O)N1C	ZINC000329321008	512026225	/nfs/dbraw/zinc/02/62/25/512026225.db2.gz	JARVFAXPKDRQGJ-CRAIPNDOSA-N	0	0	373.501	2.652	10	30		FFEERN
O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC2(CCCC2)c2c1cccc2F	ZINC000329397060	512039873	/nfs/dbraw/zinc/03/98/73/512039873.db2.gz	WGLMVNYVUIRUMK-GOEBONIOSA-N	0	0	371.416	2.603	10	30		FFEERN
Cc1cc([C@@H]2CCCN2C([O-])=[NH+][C@H]2CCc3nc(C(C)C)nn3C2)on1	ZINC000329424043	512044695	/nfs/dbraw/zinc/04/46/95/512044695.db2.gz	IJYPHBOVISLDOZ-KBPBESRZSA-N	0	0	358.446	2.764	10	30		FFEERN
O=C(N[C@H]1CCCOc2ccccc21)N1CCn2c(nnc2C2CC2)C1	ZINC000329438384	512047276	/nfs/dbraw/zinc/04/72/76/512047276.db2.gz	KGBSVQMYCJKKCO-HNNXBMFYSA-N	0	0	353.426	2.799	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3COc4ccccc4O3)C2)nn1	ZINC000329613881	512077573	/nfs/dbraw/zinc/07/75/73/512077573.db2.gz	RXACLADHEHXOSG-YOEHRIQHSA-N	0	0	354.410	2.550	10	30		FFEERN
C[C@@H]1CC(CNC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1	ZINC000329794553	512098214	/nfs/dbraw/zinc/09/82/14/512098214.db2.gz	CDKDINUZVODBMY-ZQOJQMTGSA-N	0	0	367.534	2.678	10	30		FFEERN
C[C@@H]1CC(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H](C)O1	ZINC000408077033	512994825	/nfs/dbraw/zinc/99/48/25/512994825.db2.gz	RBGPLIKNPZQSLP-CPUCHLNUSA-N	0	0	359.445	2.986	10	30		FFEERN
N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F	ZINC000408337551	513046428	/nfs/dbraw/zinc/04/64/28/513046428.db2.gz	CEVDWKWQXWTKKE-CPCISQLKSA-N	0	0	365.199	2.698	10	30		FFEERN
COC(=O)c1c(C#N)cc(I)cc1OC(F)F	ZINC000575385850	518207784	/nfs/dbraw/zinc/20/77/84/518207784.db2.gz	ASCOZDGPXFVALZ-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)c1cc(OC(F)F)c(C#N)cc1I	ZINC000575385840	518207806	/nfs/dbraw/zinc/20/78/06/518207806.db2.gz	ACGPHRZDPPCTLR-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
CCOC(=O)c1c(I)cc(C#N)cc1OC(F)F	ZINC000575386351	518208624	/nfs/dbraw/zinc/20/86/24/518208624.db2.gz	QMSDGROAINPJNW-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
CC(C)(C)OC(=O)NCC(=O)N1CCC(C=O)(Cc2ccccc2)CC1	ZINC000098096471	518824405	/nfs/dbraw/zinc/82/44/05/518824405.db2.gz	QELVVISIBIVODQ-UHFFFAOYSA-N	0	0	360.454	2.562	10	30		FFEERN
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CC[C@@H](C)O2)nc1C	ZINC000153511730	728781666	/nfs/dbraw/zinc/78/16/66/728781666.db2.gz	BBMXKOKCTOWFSJ-PSASIEDQSA-N	0	0	365.484	2.691	10	30		FFEERN
C#CC[C@H](OC(=O)Cc1ccc(S(=O)(=O)CC)cc1)c1ccccn1	ZINC000105549831	728506485	/nfs/dbraw/zinc/50/64/85/728506485.db2.gz	SZXWETVEWYTGRN-SFHVURJKSA-N	0	0	357.431	2.726	10	30		FFEERN
COC(=O)[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	ZINC000245404072	729569452	/nfs/dbraw/zinc/56/94/52/729569452.db2.gz	NWTLQHXLHQMRJX-MGPQQGTHSA-N	0	0	356.403	2.804	10	30		FFEERN
C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CCS1(=O)=O	ZINC000330251313	729800601	/nfs/dbraw/zinc/80/06/01/729800601.db2.gz	NKYUYPXMLIJEET-AGIUHOORSA-N	0	0	370.437	2.778	10	30		FFEERN
Cc1c(Cl)cnc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1C#N	ZINC000886048075	733742948	/nfs/dbraw/zinc/74/29/48/733742948.db2.gz	IPGKKRGWEUFXGT-GUYCJALGSA-N	0	0	355.829	2.942	10	30		FFEERN
CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2ncc(C#N)cc2Cl)cn1	ZINC000888095036	734010935	/nfs/dbraw/zinc/01/09/35/734010935.db2.gz	LIUBWGDYCKNFKC-LSDHHAIUSA-N	0	0	359.817	2.553	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNc2cccc(Cl)c2C#N)C1	ZINC000705692500	734361022	/nfs/dbraw/zinc/36/10/22/734361022.db2.gz	VRVHOFPTGZZAIR-NHYWBVRUSA-N	0	0	351.834	2.851	10	30		FFEERN
Cc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1N1CCNC1=O	ZINC000330210639	971133792	/nfs/dbraw/zinc/13/37/92/971133792.db2.gz	IMINAKQPVAAKNG-MGPUTAFESA-N	0	0	372.469	2.902	10	30		FFEERN
CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](c3ccccc3C)C1)CC2	ZINC000329332277	967647791	/nfs/dbraw/zinc/64/77/91/967647791.db2.gz	ZUKNQWRGQSPYBJ-JKSUJKDBSA-N	0	0	353.470	2.867	10	30		FFEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCOC3CCCCC3)C2)n1	ZINC000329666208	967926941	/nfs/dbraw/zinc/92/69/41/967926941.db2.gz	RDOUHSKLNXSQAD-KRWDZBQOSA-N	0	0	363.506	2.870	10	30		FFEERN
CC(C)n1nnnc1-c1ccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1F	ZINC000329732405	967982328	/nfs/dbraw/zinc/98/23/28/967982328.db2.gz	IUNXXMMJAMXMON-ABAIWWIYSA-N	0	0	357.393	2.887	10	30		FFEERN
CC(C)(C)c1cc(NC(=O)N[C@H]2CCC[C@H]2C#N)n(-c2ncccn2)n1	ZINC000332946554	977690474	/nfs/dbraw/zinc/69/04/74/977690474.db2.gz	QWTOADFFZSOYCN-STQMWFEESA-N	0	0	353.430	2.774	10	30		FFEERN
N#Cc1cnc2ccccc2c1OCCOC(=O)CCOCC(F)(F)F	ZINC000102145729	1005037456	/nfs/dbraw/zinc/03/74/56/1005037456.db2.gz	CCFSVESGEXCNIB-UHFFFAOYSA-N	0	0	368.311	2.997	10	30		FFEERN
C=CCNS(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3o2)cc1	ZINC000011981970	1008206816	/nfs/dbraw/zinc/20/68/16/1008206816.db2.gz	PJZDRIFLRYKYJS-UHFFFAOYSA-N	0	0	372.402	2.649	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2C1=O	ZINC000005569397	1012739554	/nfs/dbraw/zinc/73/95/54/1012739554.db2.gz	OSWBORUVXHSUFF-UHFFFAOYSA-N	0	0	366.329	2.734	10	30		FFEERN
C=CC[C@@H]([NH3+])[C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000071613381	210063597	/nfs/dbraw/zinc/06/35/97/210063597.db2.gz	QTXGYCSWOPTKNC-MOPGFXCFSA-N	0	0	351.402	2.946	10	30		FFEERN
CCc1nccn1[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000106217276	250259356	/nfs/dbraw/zinc/25/93/56/250259356.db2.gz	RLEKSXGVSYBLQP-YJBOKZPZSA-N	0	0	351.454	2.981	10	30		FFEERN
Cc1cc(OCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(C#N)c(C)n1	ZINC000119846525	250517404	/nfs/dbraw/zinc/51/74/04/250517404.db2.gz	UBRHUVGKQOXJRZ-IBGZPJMESA-N	0	0	369.396	2.688	10	30		FFEERN
CCc1noc(CC)c1CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000153471642	251142057	/nfs/dbraw/zinc/14/20/57/251142057.db2.gz	UCWCPHDKVDBXGA-UHFFFAOYSA-N	0	0	354.410	2.644	10	30		FFEERN
N#Cc1cc(F)c(N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(F)c1	ZINC000301671611	258062369	/nfs/dbraw/zinc/06/23/69/258062369.db2.gz	ZEAGVJOBZUKSCJ-RBUKOAKNSA-N	0	0	355.388	2.926	10	30		FFEERN
Cc1cc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c(C#N)c(C)n1	ZINC000301756533	258066407	/nfs/dbraw/zinc/06/64/07/258066407.db2.gz	DTZGJIMOQHOEET-UHFFFAOYSA-N	0	0	356.376	2.811	10	30		FFEERN
N#Cc1cccc([C@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)CCO2)c1	ZINC000330167953	258157584	/nfs/dbraw/zinc/15/75/84/258157584.db2.gz	WDODAKALSAGBNF-XUVXKRRUSA-N	0	0	363.417	2.631	10	30		FFEERN
NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1	ZINC000100421623	222242945	/nfs/dbraw/zinc/24/29/45/222242945.db2.gz	DWYNFRNZHHUBIS-BWORXHKJSA-N	0	0	371.437	2.875	10	30		FFEERN
C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000010764481	506753320	/nfs/dbraw/zinc/75/33/20/506753320.db2.gz	XSBWFAPKHRDMLC-CQSZACIVSA-N	0	0	356.447	2.772	10	30		FFEERN
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000045278986	506943662	/nfs/dbraw/zinc/94/36/62/506943662.db2.gz	WLVJDJGVDWHTSG-KRWDZBQOSA-N	0	0	369.446	2.618	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1	ZINC000068205195	507149483	/nfs/dbraw/zinc/14/94/83/507149483.db2.gz	ABWMRCLVCRFWPI-BLRBJFNZSA-N	0	0	361.401	2.524	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCS1	ZINC000069151577	507421132	/nfs/dbraw/zinc/42/11/32/507421132.db2.gz	VUBMQEWEHBRXOH-UKRRQHHQSA-N	0	0	362.474	2.813	10	30		FFEERN
CCc1nc(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cs1	ZINC000107754574	507866219	/nfs/dbraw/zinc/86/62/19/507866219.db2.gz	DCVDUOQXWNFIJR-UHFFFAOYSA-N	0	0	373.457	2.748	10	30		FFEERN
CCCNC(=O)CCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	ZINC000110637192	508039173	/nfs/dbraw/zinc/03/91/73/508039173.db2.gz	HPBYEMVSQBIKCD-UHFFFAOYSA-N	0	0	356.451	2.850	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Cc1ccc(OCC#N)cc1	ZINC000110728106	508043924	/nfs/dbraw/zinc/04/39/24/508043924.db2.gz	RRJDSIRPBJCYTN-SFHVURJKSA-N	0	0	352.438	2.846	10	30		FFEERN
N#CCCCOc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1	ZINC000080374211	508068722	/nfs/dbraw/zinc/06/87/22/508068722.db2.gz	JTPLRTOMTIKNOC-GOSISDBHSA-N	0	0	366.421	2.587	10	30		FFEERN
Cc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1)CCC2	ZINC000111931645	508141758	/nfs/dbraw/zinc/14/17/58/508141758.db2.gz	AKRHIMIRQYTDJX-INIZCTEOSA-N	0	0	368.462	2.992	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1	ZINC000076698719	508243070	/nfs/dbraw/zinc/24/30/70/508243070.db2.gz	DMSAXEFIQOJKBB-RTBURBONSA-N	0	0	363.417	2.611	10	30		FFEERN
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCn2nc(C)nc21	ZINC000083741025	508256439	/nfs/dbraw/zinc/25/64/39/508256439.db2.gz	FVGPKOHPDHSZQU-KRWDZBQOSA-N	0	0	350.426	2.691	10	30		FFEERN
N#C[C@H]1CN(C(=O)N[C@@H]2COc3ccccc32)CCN1Cc1ccccc1	ZINC000114592807	508329057	/nfs/dbraw/zinc/32/90/57/508329057.db2.gz	UMCNWJSGKLOTTR-PKOBYXMFSA-N	0	0	362.433	2.540	10	30		FFEERN
C[C@H](C#N)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl	ZINC000104332680	508332154	/nfs/dbraw/zinc/33/21/54/508332154.db2.gz	YCVPRLOGPUXDTM-ACJLOTCBSA-N	0	0	367.836	2.935	10	30		FFEERN
COc1ccccc1CCN(C)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000104457647	508335509	/nfs/dbraw/zinc/33/55/09/508335509.db2.gz	SNNVBNBAJDAVSU-UHFFFAOYSA-N	0	0	367.449	2.506	10	30		FFEERN
N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)c1	ZINC000088767210	508382706	/nfs/dbraw/zinc/38/27/06/508382706.db2.gz	IQBASRCRFGSEIA-CQSZACIVSA-N	0	0	355.781	2.790	10	30		FFEERN
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000116112075	508473122	/nfs/dbraw/zinc/47/31/22/508473122.db2.gz	LEJBJRKDRCIINM-QFBILLFUSA-N	0	0	352.438	2.711	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)c1	ZINC000157471085	508570902	/nfs/dbraw/zinc/57/09/02/508570902.db2.gz	IPWMZQWOTLSWFJ-OAHLLOKOSA-N	0	0	364.858	2.742	10	30		FFEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2cc[nH]n2)CC1	ZINC000157806287	508615033	/nfs/dbraw/zinc/61/50/33/508615033.db2.gz	BMLQXXFTZYQTMX-UHFFFAOYSA-N	0	0	350.831	2.503	10	30		FFEERN
CN1C(=O)C[C@@H](C(=O)NCc2cc(C#N)ccc2F)[C@H]1c1ccc(F)cc1	ZINC000136182314	508677367	/nfs/dbraw/zinc/67/73/67/508677367.db2.gz	CQGBUTOGAPTNNB-VQIMIIECSA-N	0	0	369.371	2.672	10	30		FFEERN
Cn1cc(CN2CCCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cn1	ZINC000136726439	508712492	/nfs/dbraw/zinc/71/24/92/508712492.db2.gz	UIYIOKUBJOKXQF-UHFFFAOYSA-N	0	0	372.860	2.685	10	30		FFEERN
Cc1ccc([C@@H]2CN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CCO2)o1	ZINC000158661354	508735877	/nfs/dbraw/zinc/73/58/77/508735877.db2.gz	QYOYNTLWRILJTL-MJGOQNOKSA-N	0	0	351.406	2.639	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H](Oc2cccnc2)C1	ZINC000119222438	508751272	/nfs/dbraw/zinc/75/12/72/508751272.db2.gz	QDXCIUMJTGYTJR-MRXNPFEDSA-N	0	0	355.369	2.918	10	30		FFEERN
CC[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1CCOC	ZINC000159928715	508912637	/nfs/dbraw/zinc/91/26/37/508912637.db2.gz	NQWCSUHVNCVCNV-QGZVFWFLSA-N	0	0	370.415	2.979	10	30		FFEERN
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N(CCC#N)Cc2ccccn2)C1	ZINC000151639742	509057985	/nfs/dbraw/zinc/05/79/85/509057985.db2.gz	RBDHRRHQWBEYRF-HNNXBMFYSA-N	0	0	358.442	2.581	10	30		FFEERN
CCn1cc(C2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)cn1	ZINC000195500314	509193689	/nfs/dbraw/zinc/19/36/89/509193689.db2.gz	GCASJFZGZMFFDZ-OAHLLOKOSA-N	0	0	351.454	2.981	10	30		FFEERN
Cc1ccc([C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)o1	ZINC000162939327	509321918	/nfs/dbraw/zinc/32/19/18/509321918.db2.gz	PZZMCWSXGJGTTN-MRXNPFEDSA-N	0	0	373.796	2.652	10	30		FFEERN
Cc1nc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)ccc1C#N	ZINC000248568133	509368242	/nfs/dbraw/zinc/36/82/42/509368242.db2.gz	FLGCEESDJOFJRA-JYJNAYRXSA-N	0	0	370.453	2.637	10	30		FFEERN
C=CCn1c(S[C@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)n[nH]c1=O	ZINC000163759704	509420899	/nfs/dbraw/zinc/42/08/99/509420899.db2.gz	LYLVTLHGMXHYKU-ZFWWWQNUSA-N	0	0	360.483	2.752	10	30		FFEERN
CCCn1cc(CN2CCCN(C(=O)c3cccc(F)c3C#N)CC2)cn1	ZINC000189138950	509432326	/nfs/dbraw/zinc/43/23/26/509432326.db2.gz	UHDYRDVSKUSCDN-UHFFFAOYSA-N	0	0	369.444	2.652	10	30		FFEERN
Cc1oc(NC(=O)CN2CCC(Oc3ccc(C)cn3)CC2)c(C#N)c1C	ZINC000182840756	509455251	/nfs/dbraw/zinc/45/52/51/509455251.db2.gz	NLGCDFBPGJAPET-UHFFFAOYSA-N	0	0	368.437	2.953	10	30		FFEERN
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2	ZINC000185988440	509466448	/nfs/dbraw/zinc/46/64/48/509466448.db2.gz	WBZISSVXZRQUPU-RBUKOAKNSA-N	0	0	374.456	2.945	10	30		FFEERN
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H]1c1cnn(C)c1	ZINC000173312481	509524157	/nfs/dbraw/zinc/52/41/57/509524157.db2.gz	LDWHTUNHTRQHTH-CAZWYBIWSA-N	0	0	357.502	2.876	10	30		FFEERN
CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cccc(C#N)c1	ZINC000176520440	509559697	/nfs/dbraw/zinc/55/96/97/509559697.db2.gz	LGSCWAMWNKHFCE-KRWDZBQOSA-N	0	0	355.463	2.765	10	30		FFEERN
Cc1ccc(N2CCC(NC(=O)NCc3cc(C#N)ccc3F)CC2)nc1	ZINC000173375406	509561889	/nfs/dbraw/zinc/56/18/89/509561889.db2.gz	BMGLKKMYLDPXMU-UHFFFAOYSA-N	0	0	367.428	2.869	10	30		FFEERN
COC(=O)[C@@H]1CCN(Cc2cc(C#N)ccc2Br)C[C@H]1C	ZINC000249018824	509573514	/nfs/dbraw/zinc/57/35/14/509573514.db2.gz	KMFHJZUOCPMCGA-BXUZGUMPSA-N	0	0	351.244	2.952	10	30		FFEERN
Cc1ccc([C@H]2CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CCO2)o1	ZINC000167749933	509641144	/nfs/dbraw/zinc/64/11/44/509641144.db2.gz	ANOUOUNUXKJEEW-OAHLLOKOSA-N	0	0	368.361	2.500	10	30		FFEERN
COC(=O)[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1	ZINC000176712962	509653906	/nfs/dbraw/zinc/65/39/06/509653906.db2.gz	CGVVIMYBXYOXCD-ACJLOTCBSA-N	0	0	372.446	2.527	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N2CC3(CCOCC3)c3ccccc32)cc1	ZINC000192929000	509703272	/nfs/dbraw/zinc/70/32/72/509703272.db2.gz	YGUPZQWRAFBPHA-UHFFFAOYSA-N	0	0	361.401	2.592	10	30		FFEERN
CCO[C@H]1C[C@H](Nc2cc(C#N)ccc2OCCOC)C12CCOCC2	ZINC000186502263	509743367	/nfs/dbraw/zinc/74/33/67/509743367.db2.gz	RZCFUHVPOLKKFW-OALUTQOASA-N	0	0	360.454	2.970	10	30		FFEERN
Cc1nc([C@@H]2CCCN2CCS(=O)(=O)c2cccc(C#N)c2)cs1	ZINC000189804187	509761883	/nfs/dbraw/zinc/76/18/83/509761883.db2.gz	JBDIPKRXBJLPDD-KRWDZBQOSA-N	0	0	361.492	2.934	10	30		FFEERN
N#C[C@H]1CN(c2c(F)c(F)nc(F)c2F)CCN1Cc1ccccc1	ZINC000268143643	509778112	/nfs/dbraw/zinc/77/81/12/509778112.db2.gz	VTDHNAVVBUVTPT-LBPRGKRZSA-N	0	0	350.319	2.852	10	30		FFEERN
Cc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CCO2)o1	ZINC000180209858	509815089	/nfs/dbraw/zinc/81/50/89/509815089.db2.gz	ARIVPXOHJSYFRC-HNNXBMFYSA-N	0	0	366.826	2.875	10	30		FFEERN
C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@]1(C#N)CCc2ccccc2C1	ZINC000186895308	509934574	/nfs/dbraw/zinc/93/45/74/509934574.db2.gz	WUUNIYXORBEFIV-BTYIYWSLSA-N	0	0	362.433	2.764	10	30		FFEERN
N#Cc1ccc(N2CCC[C@H](N3CC[C@H](Oc4cccnc4)C3)C2=O)cc1	ZINC000245528614	509985023	/nfs/dbraw/zinc/98/50/23/509985023.db2.gz	QTVRSTQRVYIYRE-PMACEKPBSA-N	0	0	362.433	2.602	10	30		FFEERN
CCO[C@H]1C[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C12CCOCC2	ZINC000187053467	510030057	/nfs/dbraw/zinc/03/00/57/510030057.db2.gz	ZRJJSVHSVMIHHX-CABCVRRESA-N	0	0	350.365	2.540	10	30		FFEERN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CSC[C@@H](O)CO)c1C#N	ZINC000177417852	510047083	/nfs/dbraw/zinc/04/70/83/510047083.db2.gz	OFAUSMOLOLKHMY-HNNXBMFYSA-N	0	0	365.499	2.507	10	30		FFEERN
C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)N1C(=O)NC2(CCCC2)C1=O	ZINC000171430751	510154412	/nfs/dbraw/zinc/15/44/12/510154412.db2.gz	RBBJRXCNWFFZNY-ZDUSSCGKSA-N	0	0	368.437	2.679	10	30		FFEERN
C[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)N1C(=O)NC2(CCCC2)C1=O	ZINC000171430756	510154551	/nfs/dbraw/zinc/15/45/51/510154551.db2.gz	RBBJRXCNWFFZNY-CYBMUJFWSA-N	0	0	368.437	2.679	10	30		FFEERN
C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000187367680	510224092	/nfs/dbraw/zinc/22/40/92/510224092.db2.gz	YWQJUMGCPYEJAS-CQSZACIVSA-N	0	0	368.458	2.871	10	30		FFEERN
Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000184337389	510272048	/nfs/dbraw/zinc/27/20/48/510272048.db2.gz	NATYIFDTUQNUFD-KRWDZBQOSA-N	0	0	373.334	2.597	10	30		FFEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2ccccc2O[C@H](C)C#N)C1	ZINC000184355911	510281839	/nfs/dbraw/zinc/28/18/39/510281839.db2.gz	DOGVQPLPGQEWSK-HUUCEWRRSA-N	0	0	358.442	2.890	10	30		FFEERN
Cc1csc([C@H]2CN(C(=O)NCc3cc(C#N)ccc3F)CCO2)n1	ZINC000194269269	510287184	/nfs/dbraw/zinc/28/71/84/510287184.db2.gz	DVZXXXOSGUSNEP-OAHLLOKOSA-N	0	0	360.414	2.745	10	30		FFEERN
N#Cc1cccc(OCCCCC(=O)N2CCC[C@H](n3cncn3)C2)c1	ZINC000171810476	510383406	/nfs/dbraw/zinc/38/34/06/510383406.db2.gz	VJDYNSQQOXVZAE-KRWDZBQOSA-N	0	0	353.426	2.563	10	30		FFEERN
CC(C)CCO[C@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184642812	510435221	/nfs/dbraw/zinc/43/52/21/510435221.db2.gz	POZGHICIMVOLNR-KRWDZBQOSA-N	0	0	368.441	2.808	10	30		FFEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H](CNc2ccccn2)C1	ZINC000246568202	510561219	/nfs/dbraw/zinc/56/12/19/510561219.db2.gz	VHEAHTLGCZGIQV-LPHOPBHVSA-N	0	0	350.422	2.601	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000188096455	510591793	/nfs/dbraw/zinc/59/17/93/510591793.db2.gz	BPTHNNSMIKNONP-INIZCTEOSA-N	0	0	365.437	2.621	10	30		FFEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCSCc1ccccc1C#N	ZINC000175633794	510704112	/nfs/dbraw/zinc/70/41/12/510704112.db2.gz	HFTKKEZKCSDYRN-MRXNPFEDSA-N	0	0	370.482	2.526	10	30		FFEERN
N#CCOc1ccccc1C(=O)N1CCN(c2nc3ccccc3o2)CC1	ZINC000172391051	510705130	/nfs/dbraw/zinc/70/51/30/510705130.db2.gz	URMQFTCAIIKYTM-UHFFFAOYSA-N	0	0	362.389	2.693	10	30		FFEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000247163717	510847537	/nfs/dbraw/zinc/84/75/37/510847537.db2.gz	UHCREAGHRABELT-BBRMVZONSA-N	0	0	354.859	2.527	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O	ZINC000330064103	510909659	/nfs/dbraw/zinc/90/96/59/510909659.db2.gz	CBELAQVAQXSGFW-SOLBZPMBSA-N	0	0	368.437	2.650	10	30		FFEERN
CC[C@H]1CN(CC(=O)Nc2nc3c(s2)CCCC3)C[C@]2(CCOC2)O1	ZINC000330070456	510910324	/nfs/dbraw/zinc/91/03/24/510910324.db2.gz	IDQMYNRRQHVFCL-UGSOOPFHSA-N	0	0	365.499	2.880	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2COc3c2ccc(C)c3C)C1	ZINC000330182799	510932136	/nfs/dbraw/zinc/93/21/36/510932136.db2.gz	PGLVWPPZXOPSCF-NUEKZKHPSA-N	0	0	372.425	2.804	10	30		FFEERN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000333464144	511252661	/nfs/dbraw/zinc/25/26/61/511252661.db2.gz	QGPOBJYOHHYLNY-MUGJNUQGSA-N	0	0	372.513	2.697	10	30		FFEERN
COC(=O)c1c(Br)c(I)ccc1C#N	ZINC000307336781	511765926	/nfs/dbraw/zinc/76/59/26/511765926.db2.gz	OGIMQULODSANLB-UHFFFAOYSA-N	0	0	365.952	2.712	10	30		FFEERN
Cn1cc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)ccc1=O	ZINC000328603909	511890681	/nfs/dbraw/zinc/89/06/81/511890681.db2.gz	HJMKHYSYVRRWGN-PKOBYXMFSA-N	0	0	364.405	2.937	10	30		FFEERN
CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccc(C#N)cn1)CC2	ZINC000328655424	511909305	/nfs/dbraw/zinc/90/93/05/511909305.db2.gz	YKEQRINKFLJHDN-MRXNPFEDSA-N	0	0	367.478	2.536	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000328839769	511938688	/nfs/dbraw/zinc/93/86/88/511938688.db2.gz	ONBQZMNVVAQACQ-KZNAEPCWSA-N	0	0	352.475	2.518	10	30		FFEERN
C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@H]2OCCN(C)[C@H]2C1	ZINC000328929103	511952533	/nfs/dbraw/zinc/95/25/33/511952533.db2.gz	YIKJOXYWXZQERJ-VHDGCEQUSA-N	0	0	360.483	2.678	10	30		FFEERN
CCC1(CNC(=O)N2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)CCCC1	ZINC000328970811	511959086	/nfs/dbraw/zinc/95/90/86/511959086.db2.gz	BIKHCZJLRYZYQD-HOTGVXAUSA-N	0	0	351.491	2.583	10	30		FFEERN
C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCn2ccnc2C1	ZINC000328979796	511960885	/nfs/dbraw/zinc/96/08/85/511960885.db2.gz	DAXLPZHVOPMHQA-XXWNAHEMSA-N	0	0	371.485	2.927	10	30		FFEERN
CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1	ZINC000328988074	511962461	/nfs/dbraw/zinc/96/24/61/511962461.db2.gz	USLCNYDDUIYSDP-ATNYBXOESA-N	0	0	365.499	2.992	10	30		FFEERN
O=C(CN1CCCN(c2cccnn2)CC1)NC12CC3CC(CC(C3)C1)C2	ZINC000329162608	511995999	/nfs/dbraw/zinc/99/59/99/511995999.db2.gz	ZRTGVXXTOCZIPU-UHFFFAOYSA-N	0	0	369.513	2.914	10	30		FFEERN
O=C(CN1CCO[C@H](Cn2cccn2)C1)NC12CC3CC(CC(C3)C1)C2	ZINC000329179578	511999494	/nfs/dbraw/zinc/99/94/94/511999494.db2.gz	NVLJDQRUISHIEI-AZRLCKCBSA-N	0	0	358.486	2.509	10	30		FFEERN
O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329236716	512010720	/nfs/dbraw/zinc/01/07/20/512010720.db2.gz	JRMAOJNFVSOQGL-KBRIMQKVSA-N	0	0	360.433	2.617	10	30		FFEERN
Cc1ccc([C@H]2CCCCN2C(=O)N[C@H]2COC[C@H]2n2ccnn2)cc1	ZINC000329252111	512014031	/nfs/dbraw/zinc/01/40/31/512014031.db2.gz	BTQHJTXSGYDIRF-RCCFBDPRSA-N	0	0	355.442	2.668	10	30		FFEERN
Cn1cc([C@@H]2CCN(C(=O)N[C@@H]3CCc4nc(C(C)(C)C)cn4C3)C2)cn1	ZINC000329340187	512030939	/nfs/dbraw/zinc/03/09/39/512030939.db2.gz	RLYFXUUUBSNPAI-GDBMZVCRSA-N	0	0	370.501	2.632	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCS[C@H](C)[C@@H]1C)CCC2	ZINC000329449861	512049447	/nfs/dbraw/zinc/04/94/47/512049447.db2.gz	DMJIDKVMDOSCNP-GZBFAFLISA-N	0	0	352.504	2.647	10	30		FFEERN
C[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000329478472	512054511	/nfs/dbraw/zinc/05/45/11/512054511.db2.gz	CHQVVXLOKPWRTR-JNNRSPCRSA-N	0	0	373.501	2.649	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCS[C@@H](C(C)C)C1)CCC2	ZINC000329538793	512066427	/nfs/dbraw/zinc/06/64/27/512066427.db2.gz	VQOCFHLCPJYYBF-HZPDHXFCSA-N	0	0	366.531	2.894	10	30		FFEERN
CC(=O)N1C[C@H](CCC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)c2ccccc21	ZINC000329633167	512079264	/nfs/dbraw/zinc/07/92/64/512079264.db2.gz	SFWFQWWTNMJDQO-NUJGCVRESA-N	0	0	373.497	2.983	10	30		FFEERN
O=C(NC1CCC(c2nc([C@H]3CN4CCN3CC4)no2)CC1)C1CCCC1	ZINC000329723284	512090228	/nfs/dbraw/zinc/09/02/28/512090228.db2.gz	NQFRQZXUFOWAGB-OFLPRAFFSA-N	0	0	373.501	2.915	10	30		FFEERN
O=C(CNC(=O)c1ccsc1)N1CCC[C@H](c2noc(C3CC3)n2)C1	ZINC000329745208	512092968	/nfs/dbraw/zinc/09/29/68/512092968.db2.gz	RBJQYXZSRXXQJJ-LBPRGKRZSA-N	0	0	360.439	2.719	10	30		FFEERN
C[C@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1nc(-c2ccccc2)no1	ZINC000329749964	512093004	/nfs/dbraw/zinc/09/30/04/512093004.db2.gz	HUHOUUIXEDVJSO-BPLDGKMQSA-N	0	0	369.425	2.805	10	30		FFEERN
CC(=O)N(C[C@@H]1CCCN1C(=O)NCC1C[C@H](C)O[C@@H](C)C1)C1CC1	ZINC000329793354	512098419	/nfs/dbraw/zinc/09/84/19/512098419.db2.gz	AZMMSOBSDLCYLQ-DEYYWGMASA-N	0	0	351.491	2.579	10	30		FFEERN
C[C@H]1N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCC12CCOCC2	ZINC000408212826	513021953	/nfs/dbraw/zinc/02/19/53/513021953.db2.gz	ZVLQUKIDQMIORD-GFCCVEGCSA-N	0	0	354.859	2.791	10	30		FFEERN
N#Cc1cccc(-c2cc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)on2)c1	ZINC000408269259	513036170	/nfs/dbraw/zinc/03/61/70/513036170.db2.gz	CAQOZRNEUACPBN-OXJNMPFZSA-N	0	0	351.406	2.980	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCn4cccc4[C@H]3C)C2)n1	ZINC000408285527	513039206	/nfs/dbraw/zinc/03/92/06/513039206.db2.gz	GGVSXKZEYMLYHM-SJLPKXTDSA-N	0	0	363.465	2.883	10	30		FFEERN
CCOC(=O)c1c(C#N)cc(I)cc1OC(F)F	ZINC000575385883	518208248	/nfs/dbraw/zinc/20/82/48/518208248.db2.gz	CYFQBCIMSPVEOL-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
COC(=O)Cc1cc(I)cc(C#N)c1C(F)F	ZINC000575389506	518208725	/nfs/dbraw/zinc/20/87/25/518208725.db2.gz	RJKYRRBIBMOWLX-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
O=C(Nc1ccsc1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1	ZINC000328630225	527504195	/nfs/dbraw/zinc/50/41/95/527504195.db2.gz	PQDTXUDGCAPXLQ-HNNXBMFYSA-N	0	0	359.455	2.757	10	30		FFEERN
C=C(Br)CNC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000123822015	728663011	/nfs/dbraw/zinc/66/30/11/728663011.db2.gz	TYHKLZSZYMBREJ-ZWNOBZJWSA-N	0	0	361.186	2.691	10	30		FFEERN
Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N[C@H](C)C#N)cc2)c1	ZINC000125819367	728688296	/nfs/dbraw/zinc/68/82/96/728688296.db2.gz	XTLFZBSPMJGGIY-CQSZACIVSA-N	0	0	358.419	2.713	10	30		FFEERN
C=CCn1c(SCc2nnc(C3CC3)n2C)nc2sccc2c1=O	ZINC000130500097	728718619	/nfs/dbraw/zinc/71/86/19/728718619.db2.gz	FDZVWXZFDKNAGP-UHFFFAOYSA-N	0	0	359.480	2.942	10	30		FFEERN
C=C(Br)CNC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000182488371	729279639	/nfs/dbraw/zinc/27/96/39/729279639.db2.gz	HFEVBLUNSUHTMC-GFCCVEGCSA-N	0	0	368.279	2.760	10	30		FFEERN
C[C@H]1[C@@H](NC(=O)N2CCC(C#N)CC2)CCCN1C(=O)OC(C)(C)C	ZINC000188312863	729386864	/nfs/dbraw/zinc/38/68/64/729386864.db2.gz	GCBLOMCIONBPIZ-ZFWWWQNUSA-N	0	0	350.463	2.720	10	30		FFEERN
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCCCC#N	ZINC000194280477	729506015	/nfs/dbraw/zinc/50/60/15/729506015.db2.gz	DQSYPTYEZXIMFU-AWEZNQCLSA-N	0	0	367.789	2.850	10	30		FFEERN
CC(=O)N[C@@H]1CCCN(C(=O)C2(c3cncc(Br)c3)CC2)C1	ZINC000328646449	729794578	/nfs/dbraw/zinc/79/45/78/729794578.db2.gz	HFPBVYFNLGKMNJ-CQSZACIVSA-N	0	0	366.259	2.843	10	30		FFEERN
Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N[C@@H]1CCO[C@H]1C	ZINC000328958097	729796004	/nfs/dbraw/zinc/79/60/04/729796004.db2.gz	OJMPPMIWLVZOPS-DZGCQCFKSA-N	0	0	363.483	2.687	10	30		FFEERN
CN(C[C@@H]1CCCCO1)C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000329224249	729796816	/nfs/dbraw/zinc/79/68/16/729796816.db2.gz	ZJQNECDORGQSPF-KBPBESRZSA-N	0	0	365.861	2.860	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2cccc(Cl)c2C#N)C1	ZINC000705692501	734361091	/nfs/dbraw/zinc/36/10/91/734361091.db2.gz	VRVHOFPTGZZAIR-XHDPSFHLSA-N	0	0	351.834	2.851	10	30		FFEERN
Cc1nnnn1-c1cccc(NC(=O)N2CCC(c3nccs3)CC2)c1	ZINC000328769180	963649792	/nfs/dbraw/zinc/64/97/92/963649792.db2.gz	QNEOWCZNZDOBDR-UHFFFAOYSA-N	0	0	369.454	2.852	10	30		FFEERN
Cc1nc(C)n(C2CN(C(=O)[C@@H](NC(=O)c3cccc(C)c3)C(C)C)C2)n1	ZINC000328797139	963901212	/nfs/dbraw/zinc/90/12/12/963901212.db2.gz	VMVWQYJTVIHNFV-SFHVURJKSA-N	0	0	369.469	2.616	10	30		FFEERN
CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccn1	ZINC000588447175	965051801	/nfs/dbraw/zinc/05/18/01/965051801.db2.gz	MFSILNIHEBIXOV-KUGGDMIFSA-N	0	0	350.334	2.741	10	30		FFEERN
CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N[C@H]1c3ccccc3C[C@H]1O)C2	ZINC000329283686	967615931	/nfs/dbraw/zinc/61/59/31/967615931.db2.gz	OCBQUIBRMITKQR-OGWOLHLISA-N	0	0	368.481	2.657	10	30		FFEERN
N#C[C@H]1CCC[C@H]1NCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1	ZINC000333260094	978087811	/nfs/dbraw/zinc/08/78/11/978087811.db2.gz	CIVWJJOMYGYLKW-NVXWUHKLSA-N	0	0	369.465	2.625	10	30		FFEERN
C#CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000104306601	1004528974	/nfs/dbraw/zinc/52/89/74/1004528974.db2.gz	XSEAONDGGGZCKE-HXUWFJFHSA-N	0	0	367.470	2.545	10	30		FFEERN
N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)c3ccccc3)cc12	ZINC000035570201	210244585	/nfs/dbraw/zinc/24/45/85/210244585.db2.gz	RFKKRFPXGHPURP-UHFFFAOYSA-N	0	0	360.826	2.626	10	30		FFEERN
C=C(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)c1c(OC)ccc2ccc(=O)oc21	ZINC000001649884	210149381	/nfs/dbraw/zinc/14/93/81/210149381.db2.gz	UXEHZTFFWWQEAU-IEBWSBKVSA-N	0	0	360.362	2.914	10	30	biogenic	FFEERN
N#Cc1cc(F)ccc1CN1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000106149737	250244415	/nfs/dbraw/zinc/24/44/15/250244415.db2.gz	INPYDVXEHQMGON-UHFFFAOYSA-N	0	0	355.417	2.666	10	30		FFEERN
COc1ccc([C@H]2C[C@H](C)N(C(=O)C(=O)Nc3cccc(C#N)c3)C2)cc1	ZINC000119114894	250434553	/nfs/dbraw/zinc/43/45/53/250434553.db2.gz	FBQVXNBXOWYITG-YOEHRIQHSA-N	0	0	363.417	2.910	10	30		FFEERN
CC(C)C[C@H](NC(=O)[C@@H](NCCC#N)C(C)C)C(=O)Nc1ccccc1	ZINC000071788320	221376202	/nfs/dbraw/zinc/37/62/02/221376202.db2.gz	BSPUMGRSOHBPMB-ROUUACIJSA-N	0	0	358.486	2.684	10	30		FFEERN
CC(C)(C)C1CCC(O)(CNc2ccc(S(N)(=O)=O)cc2C#N)CC1	ZINC000301402731	258047496	/nfs/dbraw/zinc/04/74/96/258047496.db2.gz	RLSYNMRUPDFDPN-UHFFFAOYSA-N	0	0	365.499	2.585	10	30		FFEERN
C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1cc2cc(Cl)ccc2o1	ZINC000301289183	258040147	/nfs/dbraw/zinc/04/01/47/258040147.db2.gz	SKKXAONCKSOSRC-SECBINFHSA-N	0	0	358.785	2.528	10	30		FFEERN
CCc1nnc(NCC(=O)N2CCc3sccc3C2)c(C#N)c1CC	ZINC000301633969	258059915	/nfs/dbraw/zinc/05/99/15/258059915.db2.gz	VKHCWINZGUDURJ-UHFFFAOYSA-N	0	0	355.467	2.531	10	30		FFEERN
N#Cc1ccc(Sc2nc3ccccc3c(=O)n2Cc2ccco2)nn1	ZINC000301867585	258071522	/nfs/dbraw/zinc/07/15/22/258071522.db2.gz	BZQGKFOWSZVWHI-UHFFFAOYSA-N	0	0	361.386	2.851	10	30		FFEERN
N#Cc1cc2c(nc1N[C@@H]1CC(=O)N(c3c(F)cccc3F)C1)CCC2	ZINC000329096995	258129165	/nfs/dbraw/zinc/12/91/65/258129165.db2.gz	CAIIATSUTAZDDO-CYBMUJFWSA-N	0	0	354.360	2.938	10	30		FFEERN
N#Cc1nccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)n1	ZINC000095937803	221974313	/nfs/dbraw/zinc/97/43/13/221974313.db2.gz	DHPDDLLICUVLBG-UHFFFAOYSA-N	0	0	361.386	2.602	10	30		FFEERN
COc1cc(OC)c(OC)cc1/C=N\NC(=S)NC1CCCCC1	ZINC000034864827	263397895	/nfs/dbraw/zinc/39/78/95/263397895.db2.gz	XFWXQEPLNABVIH-WQRHYEAKSA-N	0	0	351.472	2.843	10	30		FFEERN
N#Cc1cc(Br)cc(I)c1[N+](=O)[O-]	ZINC000575691433	518249741	/nfs/dbraw/zinc/24/97/41/518249741.db2.gz	DNBPEGMQQLMNRV-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CC(=O)Nc2ccccc21	ZINC000005241804	506431014	/nfs/dbraw/zinc/43/10/14/506431014.db2.gz	QTLQTWHWOUGYEK-UHFFFAOYSA-N	0	0	367.361	2.687	10	30		FFEERN
N#CCCN(CCC#N)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	ZINC000011096197	506764805	/nfs/dbraw/zinc/76/48/05/506764805.db2.gz	XITGHDZRJXQLBK-UHFFFAOYSA-N	0	0	372.856	2.848	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)cc1Cl	ZINC000048764434	507561814	/nfs/dbraw/zinc/56/18/14/507561814.db2.gz	UUYZHKDVDKWYHC-HNNXBMFYSA-N	0	0	355.781	2.790	10	30		FFEERN
C=CCN(C(=O)Cn1ncc2ccccc21)c1nc(C(=O)OCC)cs1	ZINC000107130012	507835752	/nfs/dbraw/zinc/83/57/52/507835752.db2.gz	WKXXQIUJNPCZOV-UHFFFAOYSA-N	0	0	370.434	2.889	10	30		FFEERN
N#C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C1CC1	ZINC000108831300	507921389	/nfs/dbraw/zinc/92/13/89/507921389.db2.gz	XDYFITAYLMTXTM-KRWDZBQOSA-N	0	0	351.406	2.647	10	30		FFEERN
Cc1cc(N2CCO[C@@H](Cn3cccn3)C2)n2c3ccccc3nc2c1C#N	ZINC000108949741	507928284	/nfs/dbraw/zinc/92/82/84/507928284.db2.gz	QSJXGVGNBZDJND-MRXNPFEDSA-N	0	0	372.432	2.770	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1	ZINC000109677356	507979839	/nfs/dbraw/zinc/97/98/39/507979839.db2.gz	CSTOARHTLFSMLT-NVXWUHKLSA-N	0	0	352.438	2.948	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2CCN([C@@H](C)c3nc(C)no3)CC2)c1	ZINC000111736614	508117798	/nfs/dbraw/zinc/11/77/98/508117798.db2.gz	DKXREOGGHRXHOT-AWEZNQCLSA-N	0	0	371.441	2.854	10	30		FFEERN
CCc1noc([C@H](C)N2CCN(C(=O)Nc3cc(C#N)ccc3C)CC2)n1	ZINC000112126403	508153576	/nfs/dbraw/zinc/15/35/76/508153576.db2.gz	QEDLZBWCPZUPLE-AWEZNQCLSA-N	0	0	368.441	2.723	10	30		FFEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000083562073	508248330	/nfs/dbraw/zinc/24/83/30/508248330.db2.gz	QDRIQJPWAANBLT-NSHDSACASA-N	0	0	362.340	2.716	10	30		FFEERN
CN(CC(=O)NC(C)(C)C)C(=O)c1occc1COc1cccc(C#N)c1	ZINC000102221496	508269739	/nfs/dbraw/zinc/26/97/39/508269739.db2.gz	CSLUCYGSRHCFIP-UHFFFAOYSA-N	0	0	369.421	2.717	10	30		FFEERN
CC(=O)N[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000077170034	508283426	/nfs/dbraw/zinc/28/34/26/508283426.db2.gz	LJYNYRIGWMNLOT-HKUYNNGSSA-N	0	0	370.497	2.539	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCCn2nc(CC)nc21	ZINC000133620919	508424790	/nfs/dbraw/zinc/42/47/90/508424790.db2.gz	PLXMTDNVWJOHOM-OAHLLOKOSA-N	0	0	356.426	2.679	10	30		FFEERN
N#CCCN(C(=O)CN1CCC(n2cncn2)CC1)c1cccc(Cl)c1	ZINC000157769182	508608934	/nfs/dbraw/zinc/60/89/34/508608934.db2.gz	OJWZTMBUPZWHJY-UHFFFAOYSA-N	0	0	372.860	2.515	10	30		FFEERN
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccn(CCC#N)n1	ZINC000117715677	508614050	/nfs/dbraw/zinc/61/40/50/508614050.db2.gz	VEDWPBJUGPRFGZ-PBHICJAKSA-N	0	0	353.426	2.580	10	30		FFEERN
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccn(CCC#N)n1	ZINC000117714531	508614077	/nfs/dbraw/zinc/61/40/77/508614077.db2.gz	XUBDFAAEFGWDQW-MRXNPFEDSA-N	0	0	373.844	2.843	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)CC2	ZINC000154788584	508856081	/nfs/dbraw/zinc/85/60/81/508856081.db2.gz	LPOKZMQSTGLYIT-OAHLLOKOSA-N	0	0	367.453	2.562	10	30		FFEERN
C=CCn1c(SCc2nnc(C3CC3)n2C)nnc1-c1ccccn1	ZINC000159647035	508871343	/nfs/dbraw/zinc/87/13/43/508871343.db2.gz	FDPFDXVBLSBFOR-UHFFFAOYSA-N	0	0	353.455	2.824	10	30		FFEERN
CCOc1cc(C)nc(N2CCN(Cc3ccc(F)c(C#N)c3)CC2)n1	ZINC000120075066	508922133	/nfs/dbraw/zinc/92/21/33/508922133.db2.gz	KVQJMYPUSUETGW-UHFFFAOYSA-N	0	0	355.417	2.517	10	30		FFEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](Oc1ccccc1C#N)C(C)C	ZINC000151271903	508990246	/nfs/dbraw/zinc/99/02/46/508990246.db2.gz	BFBYTYACEVYWMM-MAUKXSAKSA-N	0	0	367.453	2.767	10	30		FFEERN
N#Cc1cccc(NC(=O)C(=O)N2CCC(Nc3ccccc3F)CC2)c1	ZINC000160633311	509012534	/nfs/dbraw/zinc/01/25/34/509012534.db2.gz	QEDXOGDKEDKBAW-UHFFFAOYSA-N	0	0	366.396	2.739	10	30		FFEERN
CC[C@H](C#N)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1	ZINC000160803011	509034944	/nfs/dbraw/zinc/03/49/44/509034944.db2.gz	AXOWVCPILFBVQN-CQSZACIVSA-N	0	0	361.398	2.658	10	30		FFEERN
O=C(Nc1ccccc1C#Cc1ccccc1)N[C@@H]1CCc2ncnn2C1	ZINC000132654420	509057663	/nfs/dbraw/zinc/05/76/63/509057663.db2.gz	BCLMDDOYYADAEG-GOSISDBHSA-N	0	0	357.417	2.814	10	30		FFEERN
C[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccccc1Br	ZINC000126662834	509109683	/nfs/dbraw/zinc/10/96/83/509109683.db2.gz	JYYBFNWGRKVDGS-ZDUSSCGKSA-N	0	0	363.259	2.756	10	30		FFEERN
CCn1cc(C2CCN(CC(=O)Nc3oc(C)c(C)c3C#N)CC2)cn1	ZINC000195499317	509193223	/nfs/dbraw/zinc/19/32/23/509193223.db2.gz	JXCQKYDAZKVPRU-UHFFFAOYSA-N	0	0	355.442	2.803	10	30		FFEERN
C=CCNC(=O)CNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl	ZINC000185569324	509242522	/nfs/dbraw/zinc/24/25/22/509242522.db2.gz	GTASYVDWPZOMFO-CJNGLKHVSA-N	0	0	371.264	2.880	10	30		FFEERN
CCn1cc(C2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)cn1	ZINC000175984272	509257719	/nfs/dbraw/zinc/25/77/19/509257719.db2.gz	TZCNWVLMJFZIJI-UHFFFAOYSA-N	0	0	367.453	2.743	10	30		FFEERN
N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(Cn4cccn4)CC3)C2=O)cc1	ZINC000182757544	509412865	/nfs/dbraw/zinc/41/28/65/509412865.db2.gz	WULVXYNLNVGAFQ-FQEVSTJZSA-N	0	0	363.465	2.662	10	30		FFEERN
CCO[C@@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C12CCOCC2	ZINC000189167573	509447094	/nfs/dbraw/zinc/44/70/94/509447094.db2.gz	PRCOEQZGRIBOAH-QZTJIDSGSA-N	0	0	354.450	2.680	10	30		FFEERN
N#Cc1ccc2ncc(CN3CCN(c4nc5ccccc5o4)CC3)n2c1	ZINC000179501374	509481995	/nfs/dbraw/zinc/48/19/95/509481995.db2.gz	XLOKDRLJGBCBAE-UHFFFAOYSA-N	0	0	358.405	2.669	10	30		FFEERN
Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3cc(C#N)ccc3C)C2)n1	ZINC000173384214	509565306	/nfs/dbraw/zinc/56/53/06/509565306.db2.gz	JDTNXUJIPRALDO-OAHLLOKOSA-N	0	0	368.462	2.976	10	30		FFEERN
C[C@@H](N[C@H](C)c1nnc2n1CCCC2)C(=O)N(CCC#N)c1ccccc1	ZINC000173630205	509684513	/nfs/dbraw/zinc/68/45/13/509684513.db2.gz	WDRKIHQAFZSTOK-HZPDHXFCSA-N	0	0	366.469	2.600	10	30		FFEERN
Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)c1C#N	ZINC000173655153	509701791	/nfs/dbraw/zinc/70/17/91/509701791.db2.gz	NIBNTVUQUCYPGU-HNNXBMFYSA-N	0	0	373.416	2.868	10	30		FFEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000180013406	509710662	/nfs/dbraw/zinc/71/06/62/509710662.db2.gz	MSFOYTWQEMUDTB-OCCSQVGLSA-N	0	0	354.414	2.788	10	30		FFEERN
N#Cc1c(F)cccc1C(=O)N1CCN(c2nc3ccccc3o2)CC1	ZINC000189728428	509724464	/nfs/dbraw/zinc/72/44/64/509724464.db2.gz	XQOIGBMRYGXFBI-UHFFFAOYSA-N	0	0	350.353	2.801	10	30		FFEERN
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1	ZINC000173766182	509765044	/nfs/dbraw/zinc/76/50/44/509765044.db2.gz	HKCWIGTURSXUOZ-VQTJNVASSA-N	0	0	362.429	2.721	10	30		FFEERN
N#Cc1ccc(-c2nnc(CN3CC[C@@H](CNc4ccccn4)C3)o2)cc1	ZINC000173778949	509770919	/nfs/dbraw/zinc/77/09/19/509770919.db2.gz	MZJRXEHQXMPWLX-INIZCTEOSA-N	0	0	360.421	2.937	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1	ZINC000177261841	509967736	/nfs/dbraw/zinc/96/77/36/509967736.db2.gz	FECWNJNBAWRRQC-FQEVSTJZSA-N	0	0	370.412	2.992	10	30		FFEERN
Cc1sc(NC(=O)CN2CCCN(c3ccccn3)CC2)c(C#N)c1C	ZINC000183774717	509968582	/nfs/dbraw/zinc/96/85/82/509968582.db2.gz	RHGLRGFHHNUNEY-UHFFFAOYSA-N	0	0	369.494	2.782	10	30		FFEERN
N#Cc1ccc(SCC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1	ZINC000171274915	510049102	/nfs/dbraw/zinc/04/91/02/510049102.db2.gz	ATSGEVIJVBRWPE-MRXNPFEDSA-N	0	0	372.471	2.685	10	30		FFEERN
N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCCn3ncnc32)c1	ZINC000177593886	510151217	/nfs/dbraw/zinc/15/12/17/510151217.db2.gz	VYYVKGXRJBPVRI-INIZCTEOSA-N	0	0	363.377	2.587	10	30		FFEERN
Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](CNc3ccccn3)C2)c(C#N)c1C	ZINC000246098019	510291869	/nfs/dbraw/zinc/29/18/69/510291869.db2.gz	HPVWWDGOOZNDOS-HOCLYGCPSA-N	0	0	367.453	2.924	10	30		FFEERN
C=CCSc1ccccc1NC(=O)CN1CCC[C@H](n2cncn2)C1	ZINC000171703522	510317739	/nfs/dbraw/zinc/31/77/39/510317739.db2.gz	BNLAEXVATXAHKN-HNNXBMFYSA-N	0	0	357.483	2.832	10	30		FFEERN
Cc1cnn(C[C@H]2CN(c3c(C#N)cnc4c(F)cc(F)cc43)CCO2)c1	ZINC000171819693	510390306	/nfs/dbraw/zinc/39/03/06/510390306.db2.gz	QFKUWLDDQFVKFN-OAHLLOKOSA-N	0	0	369.375	2.795	10	30		FFEERN
CC[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cccs1	ZINC000246339813	510435986	/nfs/dbraw/zinc/43/59/86/510435986.db2.gz	GWCGZEDBLDDREB-ZIAGYGMSSA-N	0	0	370.482	2.781	10	30		FFEERN
COC(=O)N[C@@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C(C)C	ZINC000175018088	510439613	/nfs/dbraw/zinc/43/96/13/510439613.db2.gz	QRQXRQFNCKIFEQ-CQSZACIVSA-N	0	0	356.344	2.554	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N1CCC(Cc2nccn2C)CC1	ZINC000188041696	510564399	/nfs/dbraw/zinc/56/43/99/510564399.db2.gz	KHYQQBXLILWPJD-UHFFFAOYSA-N	0	0	352.438	2.919	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1	ZINC000195051021	510646793	/nfs/dbraw/zinc/64/67/93/510646793.db2.gz	YXOSYIWZUZVPCH-YRYLYKBFSA-N	0	0	361.401	2.524	10	30		FFEERN
C=C[C@H](CC(=O)N1CCC(c2ccnn2CCO)CC1)c1ccccc1	ZINC000181923434	510663861	/nfs/dbraw/zinc/66/38/61/510663861.db2.gz	RBZBFWSLQSANBV-QGZVFWFLSA-N	0	0	353.466	2.941	10	30		FFEERN
Cc1ccc([C@@H]2CN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CCO2)o1	ZINC000246872243	510720338	/nfs/dbraw/zinc/72/03/38/510720338.db2.gz	QYOYNTLWRILJTL-HKUYNNGSSA-N	0	0	351.406	2.639	10	30		FFEERN
Cc1nccn1C[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000178746915	510751280	/nfs/dbraw/zinc/75/12/80/510751280.db2.gz	OMXUTWFRKTYXSP-INIZCTEOSA-N	0	0	357.845	2.820	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000246930884	510752616	/nfs/dbraw/zinc/75/26/16/510752616.db2.gz	ASPWQJUAYMPYTG-DLBZAZTESA-N	0	0	373.526	2.655	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)cc1OC	ZINC000191770791	510822185	/nfs/dbraw/zinc/82/21/85/510822185.db2.gz	RWIRCVJDIKBQHT-LJQANCHMSA-N	0	0	371.437	2.690	10	30		FFEERN
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](n3cncn3)C2)cc1	ZINC000247734363	510869126	/nfs/dbraw/zinc/86/91/26/510869126.db2.gz	MOZSQHYPFZDPBI-PKOBYXMFSA-N	0	0	366.469	2.559	10	30		FFEERN
C[C@@H]1CSCCN(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)C1	ZINC000329954037	510885905	/nfs/dbraw/zinc/88/59/05/510885905.db2.gz	JTLCGBIKOREZNN-ZVZYQTTQSA-N	0	0	361.511	2.805	10	30		FFEERN
Cc1cccc(NC(=O)[C@H](C)N2CC(S(=O)(=O)NC3CCCC3)C2)c1	ZINC000330081297	510912451	/nfs/dbraw/zinc/91/24/51/510912451.db2.gz	PMBORVYSXUNZJD-AWEZNQCLSA-N	0	0	365.499	2.518	10	30		FFEERN
C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C(=O)N1c1ccccc1	ZINC000330165162	510928316	/nfs/dbraw/zinc/92/83/16/510928316.db2.gz	WRCRSMRVBWWXKE-GFOCRRMGSA-N	0	0	368.437	2.648	10	30		FFEERN
C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C(=O)N1c1ccccc1	ZINC000330165163	510928574	/nfs/dbraw/zinc/92/85/74/510928574.db2.gz	WRCRSMRVBWWXKE-NYCLONFESA-N	0	0	368.437	2.648	10	30		FFEERN
CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)CC2	ZINC000330174954	510929806	/nfs/dbraw/zinc/92/98/06/510929806.db2.gz	ZJEJEBOJMGPIQM-IIDMSEBBSA-N	0	0	357.458	2.789	10	30		FFEERN
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)N1CCc2cncnc2C1	ZINC000330356861	510973203	/nfs/dbraw/zinc/97/32/03/510973203.db2.gz	SDESGSZFJPLOCK-HNNXBMFYSA-N	0	0	357.845	2.681	10	30		FFEERN
N#CCC(=O)Nc1cc(I)ccc1Br	ZINC000300966456	511687568	/nfs/dbraw/zinc/68/75/68/511687568.db2.gz	ORIVRCLWWVNMME-UHFFFAOYSA-N	0	0	364.968	2.906	10	30		FFEERN
CCc1noc([C@@H](C)N2CCN(c3cc(C#N)ccc3C(C)=O)CC2)n1	ZINC000302090984	511705512	/nfs/dbraw/zinc/70/55/12/511705512.db2.gz	GWGUAOWLTIIEMX-CYBMUJFWSA-N	0	0	353.426	2.589	10	30		FFEERN
COC(=O)c1ccc(Br)c(C#N)c1I	ZINC000307534124	511767767	/nfs/dbraw/zinc/76/77/67/511767767.db2.gz	OVMUZDFZSFEWHC-UHFFFAOYSA-N	0	0	365.952	2.712	10	30		FFEERN
C[C@@H](CN(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1nccs1	ZINC000328605330	511890471	/nfs/dbraw/zinc/89/04/71/511890471.db2.gz	JKZGMAZRZYEOEQ-ZNMIVQPWSA-N	0	0	364.515	2.884	10	30		FFEERN
CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(C(=O)N[C@@H]2C=CCCC2)CC1	ZINC000328634318	511900813	/nfs/dbraw/zinc/90/08/13/511900813.db2.gz	MOMIXDJNINSIIS-RTBURBONSA-N	0	0	371.485	2.702	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C)CCC2	ZINC000328657845	511910383	/nfs/dbraw/zinc/91/03/83/511910383.db2.gz	PWLYKUHFKOXLFN-LRDDRELGSA-N	0	0	358.490	2.554	10	30		FFEERN
O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC[C@H](Oc2ccccn2)C1	ZINC000328724244	511920786	/nfs/dbraw/zinc/92/07/86/511920786.db2.gz	AVFVCVNFJNHICH-ONIAQPFYSA-N	0	0	357.454	2.796	10	30		FFEERN
CN1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@@H](c2ccccc2)C1	ZINC000328724136	511921235	/nfs/dbraw/zinc/92/12/35/511921235.db2.gz	YJJMFXNJLKJSCC-IAGOWNOFSA-N	0	0	356.470	2.931	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC([O-])=[NH+][C@@H]1CCCC[C@@H]1n1cccn1	ZINC000329118117	511986184	/nfs/dbraw/zinc/98/61/84/511986184.db2.gz	JIGCXLWOEXECHL-QZWWFDLISA-N	0	0	372.473	2.617	10	30		FFEERN
Cc1nc(C[C@H]2CCCN(C(=O)NCCOC3CCCCC3)C2)no1	ZINC000329171912	511998607	/nfs/dbraw/zinc/99/86/07/511998607.db2.gz	KGYOCGONPLHMAG-OAHLLOKOSA-N	0	0	350.463	2.896	10	30		FFEERN
C[C@@]1(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CCCc2ccccc21	ZINC000329331087	512028765	/nfs/dbraw/zinc/02/87/65/512028765.db2.gz	MFFQKQXFCONHDV-WAOWUJCRSA-N	0	0	372.465	2.601	10	30		FFEERN
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1	ZINC000329427671	512044798	/nfs/dbraw/zinc/04/47/98/512044798.db2.gz	GUBLGVXFIVBYKD-MUKKUYKPSA-N	0	0	367.490	2.704	10	30		FFEERN
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@@](O)(C(F)(F)F)CC1	ZINC000329489096	512057227	/nfs/dbraw/zinc/05/72/27/512057227.db2.gz	HIZXZCKENUICJB-ABAIWWIYSA-N	0	0	363.380	2.721	10	30		FFEERN
COC[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(Cl)cc1	ZINC000329539488	512066358	/nfs/dbraw/zinc/06/63/58/512066358.db2.gz	WAPHJBAHMZQOBO-QLFBSQMISA-N	0	0	351.834	2.992	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)NC[C@@]1(C)CCCS1)CCC2	ZINC000329726365	512091143	/nfs/dbraw/zinc/09/11/43/512091143.db2.gz	CCSHZESRSGQWTQ-RHSMWYFYSA-N	0	0	352.504	2.696	10	30		FFEERN
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329848478	512103834	/nfs/dbraw/zinc/10/38/34/512103834.db2.gz	RLJLFORLBOQWJE-NUJGCVRESA-N	0	0	357.454	2.788	10	30		FFEERN
CC(C)C(=O)N[C@H]1CCCN(C(=O)Cc2cccc(N3CCCC3=O)c2)C1	ZINC000329900722	512106105	/nfs/dbraw/zinc/10/61/05/512106105.db2.gz	OAHAVWDVCURZEP-KRWDZBQOSA-N	0	0	371.481	2.959	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)ccc1C(F)(F)F	ZINC000407953778	512974546	/nfs/dbraw/zinc/97/45/46/512974546.db2.gz	MLVXFZPPLRAVLS-HUUCEWRRSA-N	0	0	374.384	2.909	10	30		FFEERN
Cc1cccc(C)c1NC(=O)C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N	ZINC000408269068	513036125	/nfs/dbraw/zinc/03/61/25/513036125.db2.gz	QBUMBTAYALKUBK-JXFKEZNVSA-N	0	0	355.438	2.696	10	30		FFEERN
CO[C@@]1(C)CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000408288753	513039124	/nfs/dbraw/zinc/03/91/24/513039124.db2.gz	ZXBKXRPIESLEQV-JXFKEZNVSA-N	0	0	374.460	2.877	10	30		FFEERN
N#Cc1ccsc1C(=O)N1CCC[C@H](Cc2nnc3ccccn32)C1	ZINC000370695627	513057981	/nfs/dbraw/zinc/05/79/81/513057981.db2.gz	BWJRHEKDHFVOFW-CYBMUJFWSA-N	0	0	351.435	2.757	10	30		FFEERN
Cc1c(F)cc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1[N+](=O)[O-]	ZINC000408404259	513060739	/nfs/dbraw/zinc/06/07/39/513060739.db2.gz	XNCNEXMFGTYFJY-AWEZNQCLSA-N	0	0	355.391	2.745	10	30		FFEERN
COC(=O)Cc1cc(I)c(C#N)c(C(F)F)c1	ZINC000575389294	518208800	/nfs/dbraw/zinc/20/88/00/518208800.db2.gz	KEDSCTQTNXVIMT-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)c1cc(C(F)(F)F)cc(I)c1C#N	ZINC000575393106	518210239	/nfs/dbraw/zinc/21/02/39/518210239.db2.gz	ZCBRPAZRXOOAER-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
O=C(NO)c1cc2cc(NC(=O)c3cccc(/C=N/NO)c3)ccc2s1	ZINC000584654149	518418419	/nfs/dbraw/zinc/41/84/19/518418419.db2.gz	NOPIHVVCBQBFTE-GIJQJNRQSA-N	0	0	370.390	2.585	10	30		FFEERN
CC[C@@H](C)NC(=O)C1(C#N)CCN(C(=O)Cc2ccc(Cl)cc2)CC1	ZINC000584646172	518418590	/nfs/dbraw/zinc/41/85/90/518418590.db2.gz	PSXFLDVFTBOEBW-CQSZACIVSA-N	0	0	361.873	2.930	10	30		FFEERN
COC(=O)[C@@H]1C[C@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000157738105	728876260	/nfs/dbraw/zinc/87/62/60/728876260.db2.gz	YAFWINUQJQQVEQ-RFZPGFLSSA-N	0	0	358.181	2.510	10	30		FFEERN
C#Cc1cccc(N(C)C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)c1	ZINC000103029575	728493735	/nfs/dbraw/zinc/49/37/35/728493735.db2.gz	BEGAGNVBKUUJOY-GOSISDBHSA-N	0	0	352.459	2.926	10	30		FFEERN
C#CC[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1Cl)c1ccccn1	ZINC000105549992	728506399	/nfs/dbraw/zinc/50/63/99/728506399.db2.gz	VFBLTKMBUODKKH-MRXNPFEDSA-N	0	0	353.769	2.632	10	30		FFEERN
CCCC(=O)NCC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000105758180	728508442	/nfs/dbraw/zinc/50/84/42/728508442.db2.gz	ZMDUVBQEFSWINE-LBPRGKRZSA-N	0	0	356.209	2.557	10	30		FFEERN
C#Cc1cccc(NC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)c1	ZINC000109583523	728528228	/nfs/dbraw/zinc/52/82/28/728528228.db2.gz	VIFBSFVGNSVKJA-UHFFFAOYSA-N	0	0	354.309	2.609	10	30		FFEERN
C=CCn1c(SCc2nnc(C3CC3)n2C)nnc1-c1ccncc1	ZINC000130497935	728718671	/nfs/dbraw/zinc/71/86/71/728718671.db2.gz	ZXFKVZYCUFMUDY-UHFFFAOYSA-N	0	0	353.455	2.824	10	30		FFEERN
CC(C)(CCC#N)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1	ZINC000195064336	729528189	/nfs/dbraw/zinc/52/81/89/729528189.db2.gz	JVEVNZJHCDAMSC-INIZCTEOSA-N	0	0	364.467	2.713	10	30		FFEERN
CC(=O)N[C@H]1CCCN(C(=O)C2(c3cncc(Br)c3)CC2)C1	ZINC000328646448	729794581	/nfs/dbraw/zinc/79/45/81/729794581.db2.gz	HFPBVYFNLGKMNJ-AWEZNQCLSA-N	0	0	366.259	2.843	10	30		FFEERN
CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000328866468	729795536	/nfs/dbraw/zinc/79/55/36/729795536.db2.gz	GQTRKAKDJXOHMW-QWHCGFSZSA-N	0	0	364.515	2.763	10	30		FFEERN
CC(C)COc1ccc([C@H](C)NC(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1	ZINC000329808241	729799117	/nfs/dbraw/zinc/79/91/17/729799117.db2.gz	BRNPHLFISFMHJJ-GOEBONIOSA-N	0	0	368.499	2.863	10	30		FFEERN
CC1(C)CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C[C@H](C(F)(F)F)O1	ZINC000330206831	729800418	/nfs/dbraw/zinc/80/04/18/729800418.db2.gz	FNTKDWJFKSRDIQ-GHMZBOCLSA-N	0	0	363.380	2.984	10	30		FFEERN
N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O	ZINC000588584082	967741722	/nfs/dbraw/zinc/74/17/22/967741722.db2.gz	SJCMBYFARXYAPV-JNLAIUADSA-N	0	0	363.392	2.628	10	30		FFEERN
CN(C)C(=O)Nc1cccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1	ZINC000329684315	967940172	/nfs/dbraw/zinc/94/01/72/967940172.db2.gz	UEXXZLBLMBOGJZ-HNAYVOBHSA-N	0	0	371.441	2.770	10	30		FFEERN
C#CCOc1ccccc1[C@H](C)OC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000107059480	976546988	/nfs/dbraw/zinc/54/69/88/976546988.db2.gz	BPNDFJZMEQODBF-STQMWFEESA-N	0	0	369.339	2.714	10	30		FFEERN
C#CCN(C(=O)c1cccc(Oc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1	ZINC000104306581	1004529660	/nfs/dbraw/zinc/52/96/60/1004529660.db2.gz	KXCQFWKJHIITGN-KRWDZBQOSA-N	0	0	369.442	2.741	10	30		FFEERN
Cc1ccc2c(CC(=O)N3CCN(c4ncccc4C#N)CC3)c[nH]c2c1	ZINC000101853279	1004936586	/nfs/dbraw/zinc/93/65/86/1004936586.db2.gz	QWBXHHBPNLHCQE-UHFFFAOYSA-N	0	0	359.433	2.634	10	30		FFEERN
C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(OCC)cc2)cc1	ZINC000108605669	1005691551	/nfs/dbraw/zinc/69/15/51/1005691551.db2.gz	FXGVELKCVUILOF-OAHLLOKOSA-N	0	0	366.417	2.913	10	30		FFEERN
C=C(C)C(=O)NCCc1nc2ccccc2n1CC(=O)N(CCC)CCC	ZINC000040203798	210044975	/nfs/dbraw/zinc/04/49/75/210044975.db2.gz	FOIHXQSLSWJEEY-UHFFFAOYSA-N	0	0	370.497	2.920	10	30		FFEERN
N#C[C@@H](NCC(F)(F)F)c1cc(Br)c2c(c1)OCCO2	ZINC000037971206	211326769	/nfs/dbraw/zinc/32/67/69/211326769.db2.gz	MRCUJHZWZPRWLB-SECBINFHSA-N	0	0	351.122	2.937	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)n1	ZINC000117006044	250329730	/nfs/dbraw/zinc/32/97/30/250329730.db2.gz	CLSUBNFAXKUXQO-CQSZACIVSA-N	0	0	356.405	2.850	10	30		FFEERN
COc1cc(F)c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1OC	ZINC000130293573	250895292	/nfs/dbraw/zinc/89/52/92/250895292.db2.gz	KRWKIXDERLZNPJ-UHFFFAOYSA-N	0	0	356.353	2.618	10	30		FFEERN
CC(=O)c1ccc(C#N)c(NCc2ccc(S(=O)(=O)NC3CC3)cc2)c1	ZINC000302116492	258089036	/nfs/dbraw/zinc/08/90/36/258089036.db2.gz	RRMASDJGKNKHGR-UHFFFAOYSA-N	0	0	369.446	2.814	10	30		FFEERN
CCOc1ccccc1C(=O)N1CCN(c2cc(C)nc(C)c2C#N)CC1	ZINC000301752447	258066274	/nfs/dbraw/zinc/06/62/74/258066274.db2.gz	BLURGRUKEZXYNY-UHFFFAOYSA-N	0	0	364.449	2.931	10	30		FFEERN
CC(C)[C@@H]1N(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@]12CCCO2	ZINC000329335809	258135751	/nfs/dbraw/zinc/13/57/51/258135751.db2.gz	OTPCEQXRNLNZER-NBHGPNQESA-N	0	0	371.456	2.940	10	30		FFEERN
N#CC1(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)CCC1	ZINC000109903435	132375095	/nfs/dbraw/zinc/37/50/95/132375095.db2.gz	JQYTWSBIZMJQLX-LBPRGKRZSA-N	0	0	352.360	2.879	10	30		FFEERN
N#Cc1cc([N+](=O)[O-])c(I)cc1Br	ZINC000575692800	518249554	/nfs/dbraw/zinc/24/95/54/518249554.db2.gz	QGNPWZIMPDOLTL-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
CC1(C)CC2=C(C(=O)C1)[C@@](O)(C(F)(F)F)C(=O)N2Cc1ccccc1	ZINC000002471676	506281241	/nfs/dbraw/zinc/28/12/41/506281241.db2.gz	UHMFIHJNVPDKQO-KRWDZBQOSA-N	0	0	353.340	2.965	10	30		FFEERN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(C)=CC(=O)C=C1OC	ZINC000003132634	506311394	/nfs/dbraw/zinc/31/13/94/506311394.db2.gz	ISLYVROQSJYFAZ-QGZVFWFLSA-N	0	0	350.754	2.730	10	30	biogenic	FFEERN
N#CC1=NN(c2ccc(Cl)cc2)[C@@H]2CN(c3ccccc3)CCN2C1=O	ZINC000033436151	506357135	/nfs/dbraw/zinc/35/71/35/506357135.db2.gz	GBNDJDCQDBPGGP-GOSISDBHSA-N	0	0	365.824	2.714	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)NCCOc3cccc(C)c3)cc2C1=O	ZINC000008093953	506621735	/nfs/dbraw/zinc/62/17/35/506621735.db2.gz	AJLGGLNBQDOYDG-UHFFFAOYSA-N	0	0	364.401	2.586	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2C1=O	ZINC000008136977	506625454	/nfs/dbraw/zinc/62/54/54/506625454.db2.gz	HLCNTMRMSQWARK-UHFFFAOYSA-N	0	0	365.345	2.938	10	30		FFEERN
Cc1cccc(CNC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)n1	ZINC000108610828	507908271	/nfs/dbraw/zinc/90/82/71/507908271.db2.gz	CVLPATRUNNEHTC-ZDUSSCGKSA-N	0	0	368.462	2.897	10	30		FFEERN
N#C[C@H](NC(=O)c1ccc(I)cc1Cl)C1CC1	ZINC000108836451	507921344	/nfs/dbraw/zinc/92/13/44/507921344.db2.gz	MREBGRYJQUHFBT-NSHDSACASA-N	0	0	360.582	2.977	10	30		FFEERN
N#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C1CC1	ZINC000108832147	507921546	/nfs/dbraw/zinc/92/15/46/507921546.db2.gz	RBQHOZRGLRFJLA-QGZVFWFLSA-N	0	0	373.409	2.658	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(C(=O)CCc3c(C)nn(CCC#N)c3C)C2)c1	ZINC000109684351	507980893	/nfs/dbraw/zinc/98/08/93/507980893.db2.gz	GYAFOCUCJCTKGS-GOSISDBHSA-N	0	0	368.485	2.715	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)NC1CCN(c2ncccn2)CC1	ZINC000111514310	508105971	/nfs/dbraw/zinc/10/59/71/508105971.db2.gz	FMZDSBBNHSAYBI-UHFFFAOYSA-N	0	0	367.453	2.510	10	30		FFEERN
CC(C)(C)OC(=O)N1CCCC[C@@H]1CS(=O)(=O)c1cc(C#N)ccn1	ZINC000095086702	508172995	/nfs/dbraw/zinc/17/29/95/508172995.db2.gz	CIVHREYEJJQQRP-CQSZACIVSA-N	0	0	365.455	2.517	10	30		FFEERN
COc1cc(OC)cc([C@H]2CCN(CC(=O)N[C@](C)(C#N)C(C)C)C2)c1	ZINC000083402765	508243898	/nfs/dbraw/zinc/24/38/98/508243898.db2.gz	MWLRGESPRSQMHK-MGPUTAFESA-N	0	0	359.470	2.548	10	30		FFEERN
CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(CCC#N)CCN2CCOCC2)cc1	ZINC000076984691	508271195	/nfs/dbraw/zinc/27/11/95/508271195.db2.gz	VTCCTFFDIFPKOU-NHCUHLMSSA-N	0	0	369.509	2.988	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(C(=O)C3(C#N)CCCCC3)CC2)cn1	ZINC000113860770	508283833	/nfs/dbraw/zinc/28/38/33/508283833.db2.gz	QYNLPIKEHQGDLA-UHFFFAOYSA-N	0	0	357.502	2.756	10	30		FFEERN
CCc1csc([C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)nc3)C2)n1	ZINC000113944653	508287244	/nfs/dbraw/zinc/28/72/44/508287244.db2.gz	XZMPBKQRAMPPSM-GFCCVEGCSA-N	0	0	362.480	2.540	10	30		FFEERN
C#Cc1cccc(N(CC)C(=O)C2CCN(c3nccc(OC)n3)CC2)c1	ZINC000103027677	508293342	/nfs/dbraw/zinc/29/33/42/508293342.db2.gz	YRFSYFQZXGXACH-UHFFFAOYSA-N	0	0	364.449	2.736	10	30		FFEERN
COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	ZINC000104394490	508333972	/nfs/dbraw/zinc/33/39/72/508333972.db2.gz	BSFUBWCOIHFWQK-OTWHNJEPSA-N	0	0	364.401	2.756	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCN(CCOCC)[C@@H](CC)C2)c1C	ZINC000106118402	508395371	/nfs/dbraw/zinc/39/53/71/508395371.db2.gz	LNSKGXXHEIJFBO-IBGZPJMESA-N	0	0	361.530	2.906	10	30		FFEERN
O=C(C#Cc1ccc2c(c1)OCO2)NC1(c2noc(C3CC3)n2)CCCC1	ZINC000121970415	508459773	/nfs/dbraw/zinc/45/97/73/508459773.db2.gz	PIAMULHJHBDVLD-UHFFFAOYSA-N	0	0	365.389	2.613	10	30		FFEERN
CCn1c(C(=O)c2cc(C)cc(C#N)c2)c(C(C)C)c(=O)n(CC)c1=O	ZINC000116312886	508498405	/nfs/dbraw/zinc/49/84/05/508498405.db2.gz	QDPJSRQVGWFARY-UHFFFAOYSA-N	0	0	353.422	2.584	10	30		FFEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000122773118	508584909	/nfs/dbraw/zinc/58/49/09/508584909.db2.gz	FVZNECPTINIECI-WBMJQRKESA-N	0	0	354.859	2.527	10	30		FFEERN
COCCN1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@H]1C	ZINC000157694870	508598619	/nfs/dbraw/zinc/59/86/19/508598619.db2.gz	BDTVNVYZKNATSI-OAHLLOKOSA-N	0	0	360.458	2.530	10	30		FFEERN
C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1nnc2n1CCCC2	ZINC000135421234	508601972	/nfs/dbraw/zinc/60/19/72/508601972.db2.gz	SZPFVJLPAUWKGY-CYBMUJFWSA-N	0	0	355.467	2.597	10	30		FFEERN
CC(C)Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000123456306	508689879	/nfs/dbraw/zinc/68/98/79/508689879.db2.gz	GXNNYVCGIJPGFR-OAHLLOKOSA-N	0	0	367.453	2.811	10	30		FFEERN
CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C12CCCC2	ZINC000119100836	508725772	/nfs/dbraw/zinc/72/57/72/508725772.db2.gz	CZQIIPVFJJFFNJ-DLBZAZTESA-N	0	0	373.428	2.832	10	30		FFEERN
COc1ccc([C@@H]2C[C@H](C)N(S(=O)(=O)c3ccc(C#N)nc3)C2)cc1	ZINC000159140457	508798405	/nfs/dbraw/zinc/79/84/05/508798405.db2.gz	MZTABBACUKJONL-DZGCQCFKSA-N	0	0	357.435	2.529	10	30		FFEERN
C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccccc1Br	ZINC000124672290	508867405	/nfs/dbraw/zinc/86/74/05/508867405.db2.gz	XLIDTDUTRZMIIE-MNOVXSKESA-N	0	0	354.248	2.500	10	30		FFEERN
CN(C)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1	ZINC000119938169	508893965	/nfs/dbraw/zinc/89/39/65/508893965.db2.gz	ZVGDDTFWWIBBRY-QGZVFWFLSA-N	0	0	363.870	2.793	10	30		FFEERN
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCO[C@H](c3ccco3)C2)cc1	ZINC000151593800	509049451	/nfs/dbraw/zinc/04/94/51/509049451.db2.gz	VUBFYDAUMDEJIG-KRWDZBQOSA-N	0	0	367.405	2.619	10	30		FFEERN
CC(C)CCN(CCC#N)C(=O)Nc1cc(Br)c(=O)n(C)c1	ZINC000156162984	509137083	/nfs/dbraw/zinc/13/70/83/509137083.db2.gz	IJCHUAVUNQUSFZ-UHFFFAOYSA-N	0	0	369.263	2.941	10	30		FFEERN
C#CCCCC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1	ZINC000192225264	509414084	/nfs/dbraw/zinc/41/40/84/509414084.db2.gz	VYAZPVJSTIIBJQ-AWEZNQCLSA-N	0	0	352.228	2.973	10	30		FFEERN
Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1	ZINC000192304126	509453433	/nfs/dbraw/zinc/45/34/33/509453433.db2.gz	QHCDTHXUAVBDSI-PBHICJAKSA-N	0	0	366.421	2.621	10	30		FFEERN
Cc1ccc(OC2CCN(CC(=O)Nc3sccc3C#N)CC2)nc1	ZINC000182850084	509459436	/nfs/dbraw/zinc/45/94/36/509459436.db2.gz	ZABNUQNZAJYFTP-UHFFFAOYSA-N	0	0	356.451	2.805	10	30		FFEERN
CCOC(=O)c1ccc2c(c1)N(C(=O)c1cccc(F)c1C#N)CCO2	ZINC000192362024	509483638	/nfs/dbraw/zinc/48/36/38/509483638.db2.gz	RRTXKFWRXPQSTH-UHFFFAOYSA-N	0	0	354.337	2.913	10	30		FFEERN
C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000180104945	509754562	/nfs/dbraw/zinc/75/45/62/509754562.db2.gz	FAIZDBVYXLJNFR-XLWVJDPXSA-N	0	0	372.371	2.938	10	30		FFEERN
C[C@H]1CCC[C@](C#N)(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)C1	ZINC000173793963	509780550	/nfs/dbraw/zinc/78/05/50/509780550.db2.gz	IHRLQVOZDKEYNV-YWZLYKJASA-N	0	0	354.454	2.522	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(C(=O)c3cc(C#N)cs3)CC2)cn1	ZINC000177069629	509852483	/nfs/dbraw/zinc/85/24/83/509852483.db2.gz	GRWVOFUHCPGRLR-UHFFFAOYSA-N	0	0	357.483	2.529	10	30		FFEERN
C=CCn1c(SC[C@H](O)COCCCC)nc2sccc2c1=O	ZINC000193360476	509880307	/nfs/dbraw/zinc/88/03/07/509880307.db2.gz	WILUCLDKPCPHHG-GFCCVEGCSA-N	0	0	354.497	2.914	10	30		FFEERN
COc1ccc(S(=O)(=O)NN=C(C)c2cc(Cl)ccc2O)cc1	ZINC000254290000	509904533	/nfs/dbraw/zinc/90/45/33/509904533.db2.gz	HDKJZQXADCCAMF-UHFFFAOYSA-N	0	0	354.815	2.757	10	30		FFEERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000190155491	509974077	/nfs/dbraw/zinc/97/40/77/509974077.db2.gz	FGHFSZSHFUELQR-QZTJIDSGSA-N	0	0	355.442	2.690	10	30		FFEERN
C=CCc1cc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc(OC)c1O	ZINC000190156337	509974167	/nfs/dbraw/zinc/97/41/67/509974167.db2.gz	HNSRKRKERYYENA-JKSUJKDBSA-N	0	0	359.426	2.783	10	30		FFEERN
CCn1cc([C@@H]2CN(C(=O)Nc3ccccc3O[C@H](C)C#N)CCO2)cn1	ZINC000190170852	509984840	/nfs/dbraw/zinc/98/48/40/509984840.db2.gz	ASFYMOHMWDPXPB-KDOFPFPSSA-N	0	0	369.425	2.799	10	30		FFEERN
CCOc1ccnc(N2CCN(Cc3ccc(Cl)cc3C#N)CC2)n1	ZINC000186981784	509985763	/nfs/dbraw/zinc/98/57/63/509985763.db2.gz	FYLVMQAZEBLZKZ-UHFFFAOYSA-N	0	0	357.845	2.723	10	30		FFEERN
CN1CCCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1=O	ZINC000190309420	510054764	/nfs/dbraw/zinc/05/47/64/510054764.db2.gz	POLANWRIBDRYPG-UHFFFAOYSA-N	0	0	362.433	2.599	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)c1	ZINC000174413307	510103794	/nfs/dbraw/zinc/10/37/94/510103794.db2.gz	DOGAQVSMJKTZHC-MRXNPFEDSA-N	0	0	355.394	2.817	10	30		FFEERN
CCc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2ccn(CCC#N)n2)o1	ZINC000190408661	510114466	/nfs/dbraw/zinc/11/44/66/510114466.db2.gz	GVJZYJDBKKLRPB-HNNXBMFYSA-N	0	0	369.425	2.644	10	30		FFEERN
N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCCn3ncnc32)o1	ZINC000177578256	510143566	/nfs/dbraw/zinc/14/35/66/510143566.db2.gz	BZCXIMDCUZFNTK-OAHLLOKOSA-N	0	0	363.377	2.587	10	30		FFEERN
CC(=O)N1CC[C@@H](NC(=O)C#Cc2ccccc2)c2ccc(F)cc2C1	ZINC000184162407	510168146	/nfs/dbraw/zinc/16/81/46/510168146.db2.gz	MMBPGDLNRLCWKK-HXUWFJFHSA-N	0	0	350.393	2.787	10	30		FFEERN
CC(=O)N1CC[C@@H](NC(=O)c2sccc2C#N)c2ccc(F)cc2C1	ZINC000184163942	510168597	/nfs/dbraw/zinc/16/85/97/510168597.db2.gz	URLSKGYRUVKYOI-MRXNPFEDSA-N	0	0	357.410	2.982	10	30		FFEERN
N#CCSc1ccccc1NC(=O)CN1CCO[C@H](c2nccs2)C1	ZINC000171666923	510296406	/nfs/dbraw/zinc/29/64/06/510296406.db2.gz	OOIKDWFWEZTUBF-AWEZNQCLSA-N	0	0	374.491	2.771	10	30		FFEERN
N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1	ZINC000246222687	510374570	/nfs/dbraw/zinc/37/45/70/510374570.db2.gz	VHHCDUQHVRVBDI-ZWKOTPCHSA-N	0	0	374.437	2.974	10	30		FFEERN
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC=C(c3ccccc3)CC2)n1	ZINC000181528862	510455164	/nfs/dbraw/zinc/45/51/64/510455164.db2.gz	RTNNNBWRMFEBBQ-UHFFFAOYSA-N	0	0	363.421	2.590	10	30		FFEERN
N#Cc1cccc(OCCCCC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1	ZINC000178308675	510539931	/nfs/dbraw/zinc/53/99/31/510539931.db2.gz	IIHDQIRUMJEAOR-CTNGQTDRSA-N	0	0	350.418	2.882	10	30		FFEERN
C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1	ZINC000246577454	510564631	/nfs/dbraw/zinc/56/46/31/510564631.db2.gz	HYNKZCSOCSFKIU-VAMGGRTRSA-N	0	0	362.429	2.892	10	30		FFEERN
CC(C)c1nnc2n1C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)CC2	ZINC000181736270	510566817	/nfs/dbraw/zinc/56/68/17/510566817.db2.gz	WIPLHHTXVIFEFQ-CQSZACIVSA-N	0	0	369.473	2.966	10	30		FFEERN
COC(=O)[C@@H]1CCCCN1CC(=O)N(CCC#N)c1cccc(C)c1C	ZINC000194911982	510586386	/nfs/dbraw/zinc/58/63/86/510586386.db2.gz	TTZJZSSDLOWDDN-SFHVURJKSA-N	0	0	357.454	2.578	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1c1ccco1	ZINC000172198447	510595918	/nfs/dbraw/zinc/59/59/18/510595918.db2.gz	HJCRNKNKCWJKMS-OAHLLOKOSA-N	0	0	353.378	2.852	10	30		FFEERN
CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000175338567	510596324	/nfs/dbraw/zinc/59/63/24/510596324.db2.gz	WKQXTKCRMLEFLV-IBGZPJMESA-N	0	0	356.514	2.966	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N1CCC(Nc2cccnn2)CC1	ZINC000188131599	510609859	/nfs/dbraw/zinc/60/98/59/510609859.db2.gz	GDXIAXFAMIWLGL-UHFFFAOYSA-N	0	0	351.410	2.597	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1	ZINC000178502753	510635106	/nfs/dbraw/zinc/63/51/06/510635106.db2.gz	CHUINFCGPUOGMD-OAHLLOKOSA-N	0	0	373.416	2.868	10	30		FFEERN
CC(C)c1nnc2n1C[C@H](NC(=O)c1cccc(SCC#N)c1)CC2	ZINC000175713095	510749076	/nfs/dbraw/zinc/74/90/76/510749076.db2.gz	HTPKAWVAMFVDBW-CQSZACIVSA-N	0	0	355.467	2.762	10	30		FFEERN
Cn1cc(CNc2ccc(N3CCOCC3)nc2)c(-c2ccc(C#N)cc2)n1	ZINC000182173544	510795032	/nfs/dbraw/zinc/79/50/32/510795032.db2.gz	YOBRTFCQFQXGMX-UHFFFAOYSA-N	0	0	374.448	2.802	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1	ZINC000178832889	510795189	/nfs/dbraw/zinc/79/51/89/510795189.db2.gz	PDWOZOBDPPHYPR-QWRGUYRKSA-N	0	0	357.307	2.873	10	30		FFEERN
Cc1csc([C@H]2CN(CC(=O)N(CCC#N)c3ccccc3)CCO2)n1	ZINC000195392734	510809646	/nfs/dbraw/zinc/80/96/46/510809646.db2.gz	PEHFPHQRVUGBBL-QGZVFWFLSA-N	0	0	370.478	2.772	10	30		FFEERN
N#Cc1cc(NC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)ccc1F	ZINC000172679151	510843492	/nfs/dbraw/zinc/84/34/92/510843492.db2.gz	VNVCOAYBKLSUMY-OAHLLOKOSA-N	0	0	359.382	2.738	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCSCC[C@H]1C)CCC2	ZINC000330054606	510907104	/nfs/dbraw/zinc/90/71/04/510907104.db2.gz	SGFSYZVWMYBTGD-UKRRQHHQSA-N	0	0	352.504	2.648	10	30		FFEERN
CCn1ccnc(N2CCC(NC(=O)[C@H]3CCc4ccccc43)CC2)c1=O	ZINC000330127826	510922367	/nfs/dbraw/zinc/92/23/67/510922367.db2.gz	JCUYAQGACZHYRC-SFHVURJKSA-N	0	0	366.465	2.919	10	30		FFEERN
COc1ccccc1N1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1	ZINC000330162858	510928695	/nfs/dbraw/zinc/92/86/95/510928695.db2.gz	UUHKTVPIPYRPAR-SPYBWZPUSA-N	0	0	370.453	2.742	10	30		FFEERN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000333464139	511252432	/nfs/dbraw/zinc/25/24/32/511252432.db2.gz	QGPOBJYOHHYLNY-FUMNGEBKSA-N	0	0	372.513	2.697	10	30		FFEERN
O=C(CS)Nc1cc(I)ccc1Br	ZINC000300906669	511688376	/nfs/dbraw/zinc/68/83/76/511688376.db2.gz	OKRRRQDGIWSFQT-UHFFFAOYSA-N	0	0	372.025	2.922	10	30		FFEERN
COC(=O)c1ccc(I)c(C#N)c1Br	ZINC000307168220	511765369	/nfs/dbraw/zinc/76/53/69/511765369.db2.gz	ULNBNUGUPQVWJG-UHFFFAOYSA-N	0	0	365.952	2.712	10	30		FFEERN
CC(=O)N[C@@]1(c2noc(C)n2)CCN(c2nc3ccccc3nc2C)C1	ZINC000328613141	511893896	/nfs/dbraw/zinc/89/38/96/511893896.db2.gz	QWEYBGIGJFCRNW-SFHVURJKSA-N	0	0	352.398	2.712	10	30		FFEERN
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCCC12CCOCC2	ZINC000328726370	511921502	/nfs/dbraw/zinc/92/15/02/511921502.db2.gz	UPAALDKAAGKDKD-HOTGVXAUSA-N	0	0	351.491	2.583	10	30		FFEERN
C[C@@H]1Cc2ccccc2N1CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1	ZINC000328881036	511945117	/nfs/dbraw/zinc/94/51/17/511945117.db2.gz	MAXOIQYWJIPXQU-NRXGSXMXSA-N	0	0	356.470	2.839	10	30		FFEERN
CNC(=O)[C@H]1CN(C(=O)N[C@H](C)C2CCCCC2)C[C@@H]1c1cnn(C)c1	ZINC000329073444	511977813	/nfs/dbraw/zinc/97/78/13/511977813.db2.gz	OWOUWBRBUWMDBH-XYPHTWIQSA-N	0	0	361.490	2.905	10	30		FFEERN
C[C@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccc2ccccc2c1	ZINC000329196455	512003061	/nfs/dbraw/zinc/00/30/61/512003061.db2.gz	UUXDSWBMRRLXEK-ZOCIIQOWSA-N	0	0	372.490	2.976	10	30		FFEERN
CC[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C	ZINC000329197340	512003345	/nfs/dbraw/zinc/00/33/45/512003345.db2.gz	UEXGHCKJNXATKP-IIHSZXCVSA-N	0	0	374.485	2.776	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)CC(=O)N1C	ZINC000329203351	512004014	/nfs/dbraw/zinc/00/40/14/512004014.db2.gz	WHPBURFSNOHQKG-GFRKIRBNSA-N	0	0	356.470	2.721	10	30		FFEERN
CN(C[C@@H]1CCCOC1)C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000329212653	512006688	/nfs/dbraw/zinc/00/66/88/512006688.db2.gz	IBQXJPVMRMZVFF-KBPBESRZSA-N	0	0	365.861	2.718	10	30		FFEERN
Cn1cc(-n2cc(C(=O)NC3C4CC5CC(C4)CC3C5)ccc2=O)cn1	ZINC000329389560	512038325	/nfs/dbraw/zinc/03/83/25/512038325.db2.gz	RWMYFHXQQLQSQJ-UHFFFAOYSA-N	0	0	352.438	2.700	10	30		FFEERN
O=C(N[C@@H]1CCCOc2ccc(F)cc21)N1CCO[C@H](Cn2cccn2)C1	ZINC000329421300	512043795	/nfs/dbraw/zinc/04/37/95/512043795.db2.gz	FKSAAACDPDUBMN-DOTOQJQBSA-N	0	0	374.416	2.551	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)CCC2	ZINC000329498121	512058525	/nfs/dbraw/zinc/05/85/25/512058525.db2.gz	GRCACNDWKSAWPH-SJORKVTESA-N	0	0	372.473	2.771	10	30		FFEERN
CCCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C1	ZINC000329549039	512069278	/nfs/dbraw/zinc/06/92/78/512069278.db2.gz	CJCNXWRRNJHLQT-IRXDYDNUSA-N	0	0	373.501	2.749	10	30		FFEERN
Cc1ccc(CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c(O[C@H]2CCOC2)c1	ZINC000329561578	512070162	/nfs/dbraw/zinc/07/01/62/512070162.db2.gz	MWFXJUNBZSJPRR-GVDBMIGSSA-N	0	0	373.453	2.627	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)c1ccnc(O[C@@H]3CCOC3)c1)CCC2	ZINC000329653429	512082903	/nfs/dbraw/zinc/08/29/03/512082903.db2.gz	DUMUSKWSKHMOER-JKSUJKDBSA-N	0	0	356.426	2.636	10	30		FFEERN
Cc1nnc([C@H]2CN([C@@H](C)C(=O)Nc3ccc(F)cc3Cl)CCO2)[nH]1	ZINC000329737035	512092106	/nfs/dbraw/zinc/09/21/06/512092106.db2.gz	LVWVSMJQQCWXHZ-LKFCYVNXSA-N	0	0	367.812	2.956	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)ccc1C(F)(F)F	ZINC000407953770	512974345	/nfs/dbraw/zinc/97/43/45/512974345.db2.gz	MLVXFZPPLRAVLS-CABCVRRESA-N	0	0	374.384	2.909	10	30		FFEERN
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1	ZINC000408033501	512987708	/nfs/dbraw/zinc/98/77/08/512987708.db2.gz	MUKRQGJXVJIKCF-INWMFGNUSA-N	0	0	355.360	2.728	10	30		FFEERN
C[C@H]1CC[S@@](=O)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000408042578	512989281	/nfs/dbraw/zinc/98/92/81/512989281.db2.gz	SNYAWAHAMWBXKN-CCGUKBGLSA-N	0	0	359.373	2.952	10	30		FFEERN
CCC(=O)N[C@@H]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1	ZINC000408331242	513045312	/nfs/dbraw/zinc/04/53/12/513045312.db2.gz	QAARRMMSYQMTQD-OAHLLOKOSA-N	0	0	365.481	2.979	10	30		FFEERN
N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F	ZINC000408337552	513046007	/nfs/dbraw/zinc/04/60/07/513046007.db2.gz	CEVDWKWQXWTKKE-HQJQHLMTSA-N	0	0	365.199	2.698	10	30		FFEERN
CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cc(C#N)ccc2F)C1	ZINC000548011109	516694899	/nfs/dbraw/zinc/69/48/99/516694899.db2.gz	WAMMJWIKRCDZLR-SFHVURJKSA-N	0	0	358.442	2.700	10	30		FFEERN
CCOC(=O)c1c(I)cc(OC(F)F)cc1C#N	ZINC000575385926	518208646	/nfs/dbraw/zinc/20/86/46/518208646.db2.gz	GGNBVHGPRPIXHM-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
C[C@@H]1CN(CCOc2ccccc2C#N)C[C@H](c2nc(C3CC3)no2)O1	ZINC000598931516	520925173	/nfs/dbraw/zinc/92/51/73/520925173.db2.gz	GOXIKCXFBQZGOF-CXAGYDPISA-N	0	0	354.410	2.659	10	30		FFEERN
C#CCN(C(=O)c1oc2c(c1C)c(C)ccc2C)[C@@H]1CCS(=O)(=O)C1	ZINC000104311651	728501505	/nfs/dbraw/zinc/50/15/05/728501505.db2.gz	OTSQHKNAPMIEGY-OAHLLOKOSA-N	0	0	359.447	2.621	10	30		FFEERN
CCCC(=O)NCC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000105758176	728508449	/nfs/dbraw/zinc/50/84/49/728508449.db2.gz	ZMDUVBQEFSWINE-GFCCVEGCSA-N	0	0	356.209	2.557	10	30		FFEERN
C[C@H](C#N)NC(=O)c1c2c(sc1NC(=O)c1cccnc1)CCCC2	ZINC000125249501	728681214	/nfs/dbraw/zinc/68/12/14/728681214.db2.gz	DKWBJZZQZKHHKV-LLVKDONJSA-N	0	0	354.435	2.916	10	30		FFEERN
C#C[C@@H](OC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21)C1CC1	ZINC000134144525	728728858	/nfs/dbraw/zinc/72/88/58/728728858.db2.gz	XVOUFDLEMPNETP-DLBZAZTESA-N	0	0	354.431	2.638	10	30		FFEERN
Cc1ccc([C@@H](CNC(=O)C#Cc2ccccc2)N2CCOCC2)s1	ZINC000177970491	729150737	/nfs/dbraw/zinc/15/07/37/729150737.db2.gz	NFPQYNLAYQEMBQ-GOSISDBHSA-N	0	0	354.475	2.598	10	30		FFEERN
O=C(NCc1cc(F)cc2c1OCOC2)Nc1nc2c(s1)COCC2	ZINC000329498913	729797571	/nfs/dbraw/zinc/79/75/71/729797571.db2.gz	FNEDJOYLTOYDNT-UHFFFAOYSA-N	0	0	365.386	2.748	10	30		FFEERN
O=C(Nc1cccc(-c2nccs2)c1)N1CC[C@H](N2CCOCC2)C1	ZINC000329550306	729797821	/nfs/dbraw/zinc/79/78/21/729797821.db2.gz	AFRBTHRSGGIODH-INIZCTEOSA-N	0	0	358.467	2.762	10	30		FFEERN
Cc1nnc2n1C[C@H](CNC([O-])=[NH+]C1CCC(C(F)(F)F)CC1)CC2	ZINC000329620591	729798251	/nfs/dbraw/zinc/79/82/51/729798251.db2.gz	FLJIJGKDBANUML-HIFPTAJRSA-N	0	0	359.396	2.774	10	30		FFEERN
CC(C)COc1ccc([C@H](C)NC(=O)N[C@H]2CCCS(=O)(=O)C2)cc1	ZINC000329808242	729799126	/nfs/dbraw/zinc/79/91/26/729799126.db2.gz	BRNPHLFISFMHJJ-HOCLYGCPSA-N	0	0	368.499	2.863	10	30		FFEERN
N#Cc1ccc(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)nc1	ZINC000826785390	743442466	/nfs/dbraw/zinc/44/24/66/743442466.db2.gz	UFHIPAPSEONPMH-KBPBESRZSA-N	0	0	359.430	2.749	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2CCc3ccccc32)CCC(=O)N1C	ZINC000329191771	967539427	/nfs/dbraw/zinc/53/94/27/967539427.db2.gz	QOLDUJYUIOGNIQ-FRQCXROJSA-N	0	0	352.438	2.769	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NCC2(C)CCCCCC2)C1	ZINC000329561101	967797841	/nfs/dbraw/zinc/79/78/41/967797841.db2.gz	RIUHYZCOEBESLJ-IRXDYDNUSA-N	0	0	365.518	2.973	10	30		FFEERN
Cn1c(=O)sc2cc(/C=C\C(=O)c3ccc4c(c3)NC(=O)CO4)ccc21	ZINC000588598994	968070642	/nfs/dbraw/zinc/07/06/42/968070642.db2.gz	FXVVLIWHGGMFGA-UTCJRWHESA-N	0	0	366.398	2.827	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)N1CCOC[C@H]1c1nnc(-c2cccs2)o1	ZINC000332846715	977675503	/nfs/dbraw/zinc/67/55/03/977675503.db2.gz	OYYIYUWSDNTMEJ-XQQFMLRXSA-N	0	0	373.438	2.573	10	30		FFEERN
C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(C)c2c(C)onc2c1=O	ZINC000102652274	1003972091	/nfs/dbraw/zinc/97/20/91/1003972091.db2.gz	WROOPIPCQPQDEK-UHFFFAOYSA-N	0	0	369.381	2.555	10	30		FFEERN
COC(=O)c1cc(C#N)c(SCC(F)(F)F)nc1C(OC)OC	ZINC000015042768	210234059	/nfs/dbraw/zinc/23/40/59/210234059.db2.gz	RJCBCUXDGVWEMA-UHFFFAOYSA-N	0	0	350.318	2.686	10	30		FFEERN
CC1(C)CCC[C@]2(C)c3c(O)c4c(c(O)c3C(=O)C(=O)C12)C[C@H](CO)O4	ZINC000064548860	210178551	/nfs/dbraw/zinc/17/85/51/210178551.db2.gz	BXSSNSXQMLOYPG-GSDQLPOLSA-N	0	0	360.406	2.870	10	30		FFEERN
CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000103478018	250156746	/nfs/dbraw/zinc/15/67/46/250156746.db2.gz	CGPQMHAVYCPKPP-AWEZNQCLSA-N	0	0	372.860	2.641	10	30		FFEERN
CCc1noc([C@@H](C)N2CCN(Cc3cn4ccccc4c3C#N)CC2)n1	ZINC000106138244	250242787	/nfs/dbraw/zinc/24/27/87/250242787.db2.gz	OWXKBPTZBJINNB-OAHLLOKOSA-N	0	0	364.453	2.635	10	30		FFEERN
Cc1ccc(N2CCC(NC(=O)c3c(F)cc(C#N)cc3F)CC2)nc1	ZINC000152967531	251086178	/nfs/dbraw/zinc/08/61/78/251086178.db2.gz	YBOVGIPBQZBINU-UHFFFAOYSA-N	0	0	356.376	2.939	10	30		FFEERN
Cc1cc(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)c(C#N)c(C)n1	ZINC000301792557	258068011	/nfs/dbraw/zinc/06/80/11/258068011.db2.gz	RIGQFDPMBADBKJ-UHFFFAOYSA-N	0	0	374.491	2.901	10	30		FFEERN
N#Cc1c(Br)c(I)ccc1[N+](=O)[O-]	ZINC000575692926	518249429	/nfs/dbraw/zinc/24/94/29/518249429.db2.gz	TUUXEHWOJCASDB-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
C=CCn1c(Cl)c(C=O)s/c1=N/S(=O)(=O)c1ccc(C)cc1	ZINC000002455620	506280131	/nfs/dbraw/zinc/28/01/31/506280131.db2.gz	SQIJYGOATWEUDP-JQIJEIRASA-N	0	0	356.856	2.800	10	30		FFEERN
O=CCn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccccc1	ZINC000038620711	506440517	/nfs/dbraw/zinc/44/05/17/506440517.db2.gz	YHBUHBUMVBCLKV-UHFFFAOYSA-N	0	0	363.373	2.858	10	30		FFEERN
N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCOc4ccccc43)CC2)nc1	ZINC000012754121	506896122	/nfs/dbraw/zinc/89/61/22/506896122.db2.gz	QVNLWADLCHABPZ-SFHVURJKSA-N	0	0	362.433	2.810	10	30		FFEERN
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1cccc(C#N)c1	ZINC000045213550	506935447	/nfs/dbraw/zinc/93/54/47/506935447.db2.gz	VCXDPGAFTZSIAV-GOSISDBHSA-N	0	0	371.387	2.907	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1	ZINC000068205197	507149113	/nfs/dbraw/zinc/14/91/13/507149113.db2.gz	ABWMRCLVCRFWPI-UFUQCMIWSA-N	0	0	361.401	2.524	10	30		FFEERN
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(C#N)CC3)C2)c(F)c1	ZINC000069152193	507421658	/nfs/dbraw/zinc/42/16/58/507421658.db2.gz	UCRBKDWIOSLYEB-INIZCTEOSA-N	0	0	355.417	2.611	10	30		FFEERN
COCc1cc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1F	ZINC000107702754	507864087	/nfs/dbraw/zinc/86/40/87/507864087.db2.gz	IWFHLINFPSCKLC-UHFFFAOYSA-N	0	0	368.817	2.976	10	30		FFEERN
N#CCOc1cccc(CC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c1	ZINC000089852111	507874647	/nfs/dbraw/zinc/87/46/47/507874647.db2.gz	LYYNRLXYMHYNLX-FUHWJXTLSA-N	0	0	354.406	2.839	10	30		FFEERN
N#C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C1CC1	ZINC000108840725	507921398	/nfs/dbraw/zinc/92/13/98/507921398.db2.gz	IWNMVEZCPYMIOF-SFHVURJKSA-N	0	0	359.385	2.515	10	30		FFEERN
N#C[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)C1CC1	ZINC000108834250	507921450	/nfs/dbraw/zinc/92/14/50/507921450.db2.gz	MXXSSEQYGTYLJS-CQSZACIVSA-N	0	0	351.328	2.864	10	30		FFEERN
N#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C1CC1	ZINC000108832180	507921471	/nfs/dbraw/zinc/92/14/71/507921471.db2.gz	GCKMXAMFPNHECE-QGZVFWFLSA-N	0	0	373.409	2.658	10	30		FFEERN
COC(=O)C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1	ZINC000110189249	508012920	/nfs/dbraw/zinc/01/29/20/508012920.db2.gz	IZUINWVIBFNNED-SFHVURJKSA-N	0	0	352.390	2.552	10	30		FFEERN
C=CCc1cc(C(=O)N[C@@H]2CCCn3nc(C)nc32)cc(OC)c1OC	ZINC000081587211	508194112	/nfs/dbraw/zinc/19/41/12/508194112.db2.gz	IGKCLFDFBBXUDS-OAHLLOKOSA-N	0	0	356.426	2.597	10	30		FFEERN
N#Cc1cccc(OCCSCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1	ZINC000101585156	508249617	/nfs/dbraw/zinc/24/96/17/508249617.db2.gz	XARUMILBEGUEQX-ZWKOTPCHSA-N	0	0	360.479	2.840	10	30		FFEERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC#N)CC(C)(C)C	ZINC000104765428	508345870	/nfs/dbraw/zinc/34/58/70/508345870.db2.gz	DKUJDQWLMWEAPZ-UHFFFAOYSA-N	0	0	355.416	2.554	10	30		FFEERN
C=CCOc1cccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1	ZINC000115211618	508375403	/nfs/dbraw/zinc/37/54/03/508375403.db2.gz	IDRWKKGXLFQCIN-IEBWSBKVSA-N	0	0	368.437	2.533	10	30		FFEERN
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2c2nc[nH]n2)c1	ZINC000121745252	508408847	/nfs/dbraw/zinc/40/88/47/508408847.db2.gz	VDIJBWUQCZSPIO-GOSISDBHSA-N	0	0	366.469	2.895	10	30		FFEERN
CCCn1cc(CN2CCCN(C(=O)Nc3cccc(C#N)c3)CC2)cn1	ZINC000121891725	508442573	/nfs/dbraw/zinc/44/25/73/508442573.db2.gz	PHINERBPTQULHF-UHFFFAOYSA-N	0	0	366.469	2.905	10	30		FFEERN
N#Cc1cccc(OCCCCC(=O)N2CCC[C@H](Cn3cncn3)C2)c1	ZINC000127383582	508442592	/nfs/dbraw/zinc/44/25/92/508442592.db2.gz	JCALKAQBXAVXDG-SFHVURJKSA-N	0	0	367.453	2.638	10	30		FFEERN
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](c2cnn(C)c2)C1	ZINC000116321231	508499305	/nfs/dbraw/zinc/49/93/05/508499305.db2.gz	VPXHWBBQMPLOED-STQMWFEESA-N	0	0	369.494	2.658	10	30		FFEERN
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000116319866	508499622	/nfs/dbraw/zinc/49/96/22/508499622.db2.gz	YKEZKXIAPIJEDH-JSGCOSHPSA-N	0	0	357.845	2.762	10	30		FFEERN
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccn(CCC#N)n1	ZINC000117715683	508614090	/nfs/dbraw/zinc/61/40/90/508614090.db2.gz	VEDWPBJUGPRFGZ-RHSMWYFYSA-N	0	0	353.426	2.580	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1	ZINC000123362620	508675655	/nfs/dbraw/zinc/67/56/55/508675655.db2.gz	SGECBGJCAUMUGB-IERDGZPVSA-N	0	0	372.465	2.734	10	30		FFEERN
COc1ccc([C@H]2C[C@H](C)N(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)cc1	ZINC000119124852	508730561	/nfs/dbraw/zinc/73/05/61/508730561.db2.gz	QQLVESXVPVDRAM-YOEHRIQHSA-N	0	0	363.417	2.910	10	30		FFEERN
CCCC[C@H](NC(N)=O)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	ZINC000124645074	508863240	/nfs/dbraw/zinc/86/32/40/508863240.db2.gz	QOAFVKQUCIVSQV-HNNXBMFYSA-N	0	0	371.466	2.771	10	30		FFEERN
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](C)N1CCOCC1	ZINC000159643915	508870322	/nfs/dbraw/zinc/87/03/22/508870322.db2.gz	PVOFTXMGWDMHEW-CYBMUJFWSA-N	0	0	372.387	2.721	10	30		FFEERN
C=CCC[C@H](NC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1)c1ccccc1	ZINC000131034936	508879600	/nfs/dbraw/zinc/87/96/00/508879600.db2.gz	IHFFRRQFUBIEBA-DLBZAZTESA-N	0	0	355.442	2.904	10	30		FFEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1C2CC3CC(C2)CC1C3	ZINC000120767678	509060615	/nfs/dbraw/zinc/06/06/15/509060615.db2.gz	JFRIEEPOEHWWNO-UHFFFAOYSA-N	0	0	353.466	2.737	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)C1CCN(Cc2ccc(F)cc2C#N)CC1	ZINC000191979874	509275273	/nfs/dbraw/zinc/27/52/73/509275273.db2.gz	YZEWUYDIANAWRT-UHFFFAOYSA-N	0	0	361.461	2.935	10	30		FFEERN
C=CCN(CC(F)(F)F)C(=O)C1CCN(C(=O)c2ccccn2)CC1	ZINC000172869017	509280918	/nfs/dbraw/zinc/28/09/18/509280918.db2.gz	YQORAQAHVGCPHT-UHFFFAOYSA-N	0	0	355.360	2.511	10	30		FFEERN
COCC(=O)N1CCc2c1cccc2NC(=O)/C=C/c1cccc(C#N)c1	ZINC000182649067	509351048	/nfs/dbraw/zinc/35/10/48/509351048.db2.gz	SFPKVJYVKUXGDE-CMDGGOBGSA-N	0	0	361.401	2.746	10	30		FFEERN
CC1(C)C[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1	ZINC000163450630	509377195	/nfs/dbraw/zinc/37/71/95/509377195.db2.gz	RWVJJKLRAULAIL-CVEARBPZSA-N	0	0	374.460	2.923	10	30		FFEERN
N#Cc1ccc(N2CCC[C@@H](N3CC[C@H](Oc4cccnc4)C3)C2=O)cc1	ZINC000182853595	509460926	/nfs/dbraw/zinc/46/09/26/509460926.db2.gz	QTVRSTQRVYIYRE-VQTJNVASSA-N	0	0	362.433	2.602	10	30		FFEERN
C[C@H]1CN([C@@H](CNC(=O)c2sccc2C#N)c2cccs2)CCO1	ZINC000176598883	509604110	/nfs/dbraw/zinc/60/41/10/509604110.db2.gz	RDYAMBAHFCRBEU-JSGCOSHPSA-N	0	0	361.492	2.873	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000249272414	509643809	/nfs/dbraw/zinc/64/38/09/509643809.db2.gz	KYCLQVFGVGENIK-QCBUCWTNSA-N	0	0	366.502	2.977	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cc1	ZINC000168313393	509646713	/nfs/dbraw/zinc/64/67/13/509646713.db2.gz	UNWIKJABQDQHFX-OAHLLOKOSA-N	0	0	361.323	2.787	10	30		FFEERN
Cc1csc([C@@H]2CN(Cc3nnc(-c4ccc(C#N)cc4)o3)CCO2)n1	ZINC000173600271	509668233	/nfs/dbraw/zinc/66/82/33/509668233.db2.gz	RYDGIWWZVJQZBY-HNNXBMFYSA-N	0	0	367.434	2.947	10	30		FFEERN
CNC(=O)[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)C(C)C	ZINC000183383345	509753667	/nfs/dbraw/zinc/75/36/67/509753667.db2.gz	DZKCEIZOAKUYKD-GOSISDBHSA-N	0	0	351.406	2.851	10	30		FFEERN
COc1cc(OC)cc([C@@H]2CCN(S(=O)(=O)CCCCC#N)C2)c1	ZINC000177027205	509825288	/nfs/dbraw/zinc/82/52/88/509825288.db2.gz	MLAJJIVCRDZCJG-CQSZACIVSA-N	0	0	352.456	2.517	10	30		FFEERN
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(C#N)cc1	ZINC000173919504	509854737	/nfs/dbraw/zinc/85/47/37/509854737.db2.gz	XTBFVMVBESABRM-IRXDYDNUSA-N	0	0	357.454	2.910	10	30		FFEERN
Cc1sc(NC(=O)CN2CCO[C@H](c3nccs3)C2)c(C#N)c1C	ZINC000177095254	509867912	/nfs/dbraw/zinc/86/79/12/509867912.db2.gz	HBHFWTGBERYSOW-ZDUSSCGKSA-N	0	0	362.480	2.705	10	30		FFEERN
Cc1cnn([C@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3Cl)C2)c1	ZINC000183659997	509911150	/nfs/dbraw/zinc/91/11/50/509911150.db2.gz	UNRUCOAPQJDHMZ-AWEZNQCLSA-N	0	0	364.858	2.742	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1	ZINC000190125529	509951235	/nfs/dbraw/zinc/95/12/35/509951235.db2.gz	XMAYUCINRARYSM-HOTGVXAUSA-N	0	0	358.398	2.937	10	30		FFEERN
C=CCc1cc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc(OC)c1O	ZINC000190156315	509973954	/nfs/dbraw/zinc/97/39/54/509973954.db2.gz	HNSRKRKERYYENA-HOTGVXAUSA-N	0	0	359.426	2.783	10	30		FFEERN
CN(C)c1ccc(C=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000257354293	509982117	/nfs/dbraw/zinc/98/21/17/509982117.db2.gz	WXSPIDYEHRWQQW-UHFFFAOYSA-N	0	0	373.478	2.524	10	30		FFEERN
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1	ZINC000177293991	509982759	/nfs/dbraw/zinc/98/27/59/509982759.db2.gz	WTMMSVRZUBNWRC-CQSZACIVSA-N	0	0	365.437	2.556	10	30		FFEERN
Cc1sc(NC(=O)CN(C)[C@H](C)C(=O)OC(C)(C)C)c(C#N)c1C	ZINC000177367780	510017556	/nfs/dbraw/zinc/01/75/56/510017556.db2.gz	QGHMCZUHGHZSIQ-LLVKDONJSA-N	0	0	351.472	2.837	10	30		FFEERN
CC(C)c1nc([C@H]2CCCN2C(=O)NCCOc2ccc(C#N)cc2)no1	ZINC000177565614	510136514	/nfs/dbraw/zinc/13/65/14/510136514.db2.gz	JFIJMPOPUKVVKI-MRXNPFEDSA-N	0	0	369.425	2.990	10	30		FFEERN
CCc1nc(C2(NS(=O)(=O)c3cc(C#N)ccc3C)CCCC2)no1	ZINC000177607556	510158409	/nfs/dbraw/zinc/15/84/09/510158409.db2.gz	QOAYFRJHWOSSPD-UHFFFAOYSA-N	0	0	360.439	2.560	10	30		FFEERN
Cc1oc(NC(=O)CN2CC[C@H](CNc3ccccn3)C2)c(C#N)c1C	ZINC000171643773	510271690	/nfs/dbraw/zinc/27/16/90/510271690.db2.gz	QVOHPUQWLQQYDG-OAHLLOKOSA-N	0	0	353.426	2.536	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1	ZINC000246221568	510372959	/nfs/dbraw/zinc/37/29/59/510372959.db2.gz	VVUAIZJTAXNMSN-KZNAEPCWSA-N	0	0	370.449	2.654	10	30		FFEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H]1c1c(C)nn(C)c1C	ZINC000246428562	510486619	/nfs/dbraw/zinc/48/66/19/510486619.db2.gz	LBLXTOBPORMWNC-IEBWSBKVSA-N	0	0	352.438	2.960	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000188043508	510564191	/nfs/dbraw/zinc/56/41/91/510564191.db2.gz	YBBPWOPRYXEBMX-CQSZACIVSA-N	0	0	353.426	2.550	10	30		FFEERN
C=C[C@@H](CC(=O)N1CCC(c2ccnn2CCO)CC1)c1ccccc1	ZINC000181923414	510663298	/nfs/dbraw/zinc/66/32/98/510663298.db2.gz	RBZBFWSLQSANBV-KRWDZBQOSA-N	0	0	353.466	2.941	10	30		FFEERN
Cc1nccn1C[C@@H]1CCCN1CC(=O)Nc1ccccc1SCC#N	ZINC000178748198	510751335	/nfs/dbraw/zinc/75/13/35/510751335.db2.gz	KSRUSAYECPMIMO-INIZCTEOSA-N	0	0	369.494	2.910	10	30		FFEERN
Cc1noc([C@H]2COCCN2Cc2cccn2Cc2ccccc2C#N)n1	ZINC000188471918	510784923	/nfs/dbraw/zinc/78/49/23/510784923.db2.gz	VVOSKRGAMLHWEQ-LJQANCHMSA-N	0	0	363.421	2.673	10	30		FFEERN
CC(C)c1nnc([C@@H]2CN(C(=O)NC[C@@H]3CCO[C@H]3C(C)C)CCO2)o1	ZINC000329906838	510874333	/nfs/dbraw/zinc/87/43/33/510874333.db2.gz	KKCOHXNGBPIAED-KKUMJFAQSA-N	0	0	366.462	2.541	10	30		FFEERN
O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)N[C@@H]1CCc2ccccc21	ZINC000329919108	510877499	/nfs/dbraw/zinc/87/74/99/510877499.db2.gz	RLYZRVMTBJFUJW-YQQAZPJKSA-N	0	0	355.417	2.585	10	30		FFEERN
CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)C(C)C	ZINC000329945356	510882449	/nfs/dbraw/zinc/88/24/49/510882449.db2.gz	IZUHWSJWOSJLHA-BHYGNILZSA-N	0	0	362.474	2.584	10	30		FFEERN
CC[C@]1(C)CN(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)CCO1	ZINC000330027378	510902494	/nfs/dbraw/zinc/90/24/94/510902494.db2.gz	MZPQMODWKZEUOA-XKGZKEIXSA-N	0	0	359.470	2.621	10	30		FFEERN
CC[C@H]1CN(CC(=O)Nc2nc3c(s2)CCCC3)C[C@@]2(CCOC2)O1	ZINC000330070454	510909875	/nfs/dbraw/zinc/90/98/75/510909875.db2.gz	IDQMYNRRQHVFCL-SCLBCKFNSA-N	0	0	365.499	2.880	10	30		FFEERN
Cn1cnc2c(c1=O)CCN(C(=O)N[C@H]1c3ccccc3CCC1(C)C)C2	ZINC000330070755	510911091	/nfs/dbraw/zinc/91/10/91/510911091.db2.gz	XKGULUWANMDSAU-SFHVURJKSA-N	0	0	366.465	2.766	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)C1	ZINC000330125841	510920294	/nfs/dbraw/zinc/92/02/94/510920294.db2.gz	BTVCSPWNKYEXAY-LEWSCRJBSA-N	0	0	374.397	2.544	10	30		FFEERN
N#C[C@@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)C[C@H]1c1ccccc1	ZINC000330223326	510941634	/nfs/dbraw/zinc/94/16/34/510941634.db2.gz	SFZQJEVIRAAWHB-UXHICEINSA-N	0	0	367.474	2.529	10	30		FFEERN
Cc1csc([C@@H]2COCCN2C(=O)NC[C@@H]2CCO[C@H]2C(C)C)n1	ZINC000330327444	510964914	/nfs/dbraw/zinc/96/49/14/510964914.db2.gz	KXZJHYLJRUYWIJ-KKUMJFAQSA-N	0	0	353.488	2.800	10	30		FFEERN
Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)cn1	ZINC000330338394	510968493	/nfs/dbraw/zinc/96/84/93/510968493.db2.gz	VIURQXLHPZRWCG-RCCFBDPRSA-N	0	0	368.437	2.650	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000328599802	511889814	/nfs/dbraw/zinc/88/98/14/511889814.db2.gz	CLPXFRSFPWPQAK-FCGDIQPGSA-N	0	0	371.481	2.811	10	30		FFEERN
Cc1nc(CC(C)C)c(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)s1	ZINC000328989332	511961643	/nfs/dbraw/zinc/96/16/43/511961643.db2.gz	CRHGSNFUVPZQPH-GJZGRUSLSA-N	0	0	352.504	2.600	10	30		FFEERN
Cc1cnc(-c2cccc(NC(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)c2)o1	ZINC000329055804	511973975	/nfs/dbraw/zinc/97/39/75/511973975.db2.gz	XTCGSICAJNRNEX-IRXDYDNUSA-N	0	0	356.426	2.600	10	30		FFEERN
C[C@H]1CC(NC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C[C@H](C)C1	ZINC000329078196	511979048	/nfs/dbraw/zinc/97/90/48/511979048.db2.gz	QHNWMJWYZQHBKA-XBQLXHJASA-N	0	0	373.501	2.553	10	30		FFEERN
CCC[C@@]1(C)CCCN(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1	ZINC000329335458	512029202	/nfs/dbraw/zinc/02/92/02/512029202.db2.gz	LGKUIZQFVQSHLQ-BJZITVGISA-N	0	0	361.490	2.508	10	30		FFEERN
C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H]1Sc2ccccc2NC1=O	ZINC000329335058	512029258	/nfs/dbraw/zinc/02/92/58/512029258.db2.gz	XQEOKFABUDHXNT-CZUORRHYSA-N	0	0	362.499	2.731	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)NC[C@H]2CCN(c3ccccc3)C2)no1	ZINC000329359577	512033012	/nfs/dbraw/zinc/03/30/12/512033012.db2.gz	GODKQJSXPFKCIC-WBVHZDCISA-N	0	0	355.442	2.955	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CCN(c3ccccc3)C2)no1	ZINC000329359576	512033518	/nfs/dbraw/zinc/03/35/18/512033518.db2.gz	GODKQJSXPFKCIC-RDJZCZTQSA-N	0	0	355.442	2.955	10	30		FFEERN
C[C@@H]1CN(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)C[C@]2(CCCOC2)O1	ZINC000329510101	512060265	/nfs/dbraw/zinc/06/02/65/512060265.db2.gz	XJEAYIJCWZQUKL-SAJDGTNDSA-N	0	0	374.481	2.948	10	30		FFEERN
CCn1ccnc1[C@@H](NC(=O)N1CCO[C@H]2CCC[C@H]21)C1CCOCC1	ZINC000329521826	512063173	/nfs/dbraw/zinc/06/31/73/512063173.db2.gz	QXXJMVOBRRQSPN-IKGGRYGDSA-N	0	0	362.474	2.538	10	30		FFEERN
Cc1nc([C@@H]2CCCN(C(=O)N[C@@H](C)CN3CCOCC3)C2)sc1C	ZINC000329726208	512091327	/nfs/dbraw/zinc/09/13/27/512091327.db2.gz	GNIBFQSNMNVYLH-XJKSGUPXSA-N	0	0	366.531	2.574	10	30		FFEERN
Cc1nc([C@H]2CCCN(C(=O)NCc3nnc4n3CCC4)C2)sc1C	ZINC000329732849	512092428	/nfs/dbraw/zinc/09/24/28/512092428.db2.gz	JEDHMVFOBSVDAN-ZDUSSCGKSA-N	0	0	360.487	2.591	10	30		FFEERN
CS[C@@H]1CCCCN(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)C1	ZINC000329732981	512092597	/nfs/dbraw/zinc/09/25/97/512092597.db2.gz	JGRZPIAYYRBUJM-SQWLQELKSA-N	0	0	352.504	2.629	10	30		FFEERN
CC(C)[C@@H]1C[C@@H](CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)c2ccccc21	ZINC000329836726	512102935	/nfs/dbraw/zinc/10/29/35/512102935.db2.gz	VFBAPCBSXCCHQZ-MPGHIAIKSA-N	0	0	364.511	2.946	10	30		FFEERN
C[C@@H]1CC[S@@](=O)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000408042584	512989127	/nfs/dbraw/zinc/98/91/27/512989127.db2.gz	SNYAWAHAMWBXKN-VKTRGTBVSA-N	0	0	359.373	2.952	10	30		FFEERN
CO[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[C@H]1C	ZINC000408258649	513033051	/nfs/dbraw/zinc/03/30/51/513033051.db2.gz	ZIKOBUQBWVNXQT-IDHHARJASA-N	0	0	374.460	2.733	10	30		FFEERN
N#Cc1cccc(-c2cc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)on2)c1	ZINC000408269258	513036117	/nfs/dbraw/zinc/03/61/17/513036117.db2.gz	CAQOZRNEUACPBN-JXFKEZNVSA-N	0	0	351.406	2.980	10	30		FFEERN
CC[C@@H]1CN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CCS1	ZINC000408287099	513038970	/nfs/dbraw/zinc/03/89/70/513038970.db2.gz	PAHIWYPZBKJMTK-IAGOWNOFSA-N	0	0	358.511	2.832	10	30		FFEERN
CCOC(=O)c1cc(I)c(OC(F)F)c(C#N)c1	ZINC000575386371	518208765	/nfs/dbraw/zinc/20/87/65/518208765.db2.gz	RUEVZYOOSSFGMZ-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1I	ZINC000611004977	520941742	/nfs/dbraw/zinc/94/17/42/520941742.db2.gz	FFDOYUWJNGSVBW-GZMMTYOYSA-N	0	0	358.154	2.852	10	30		FFEERN
CCOc1ccccc1/C=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000100220465	521450101	/nfs/dbraw/zinc/45/01/01/521450101.db2.gz	QIQAGDSKHXFIDP-HKWRFOASSA-N	0	0	374.462	2.857	10	30		FFEERN
CC(C)[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1	ZINC000047804564	728038118	/nfs/dbraw/zinc/03/81/18/728038118.db2.gz	VBVOJSRAGXFUEN-GJEKEPIOSA-N	0	0	366.487	2.665	10	30		FFEERN
Cc1nn(C)c(Cl)c1S(=O)(=O)N(CCC#N)c1cccc(C)c1	ZINC000108760899	728522600	/nfs/dbraw/zinc/52/26/00/728522600.db2.gz	HYRYREMOSBEJLQ-UHFFFAOYSA-N	0	0	352.847	2.799	10	30		FFEERN
C=C(Br)CNC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000123822295	728662973	/nfs/dbraw/zinc/66/29/73/728662973.db2.gz	TYHKLZSZYMBREJ-GXFFZTMASA-N	0	0	361.186	2.691	10	30		FFEERN
COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000171035629	728995747	/nfs/dbraw/zinc/99/57/47/728995747.db2.gz	IBJLVAIYBCVUAF-IJLUTSLNSA-N	0	0	355.221	2.568	10	30		FFEERN
C=CCn1c2ccccc2n(CN2CC[C@H](N3CCOCC3)C2)c1=S	ZINC000172962186	729037276	/nfs/dbraw/zinc/03/72/76/729037276.db2.gz	GXBRTJYHFQNLPU-INIZCTEOSA-N	0	0	358.511	2.722	10	30		FFEERN
C=C(Br)CNC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000175956812	729104982	/nfs/dbraw/zinc/10/49/82/729104982.db2.gz	DWYKZSQXTUTDCQ-NSHDSACASA-N	0	0	362.268	2.594	10	30		FFEERN
C=C(C)CS(=O)(=O)NCCc1nc(-c2ccc(OC)cc2)cs1	ZINC000223442909	729546937	/nfs/dbraw/zinc/54/69/37/729546937.db2.gz	WLLAPBYDYSRNJW-UHFFFAOYSA-N	0	0	352.481	2.857	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)c1csc(-c3cnn(C)c3)n1)CCC2	ZINC000328862466	729795510	/nfs/dbraw/zinc/79/55/10/729795510.db2.gz	ZBIZJHJWHHOBPC-LBPRGKRZSA-N	0	0	356.455	2.931	10	30		FFEERN
O=C(NC1CC1)N[C@@H]1CCN(C(=O)NC2CCC(C(F)(F)F)CC2)C1	ZINC000329511008	729797814	/nfs/dbraw/zinc/79/78/14/729797814.db2.gz	KHHMRJHHVZSKGF-KGPNIALWSA-N	0	0	362.396	2.762	10	30		FFEERN
O=C(CN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1)NC(=O)NC1CC1	ZINC000329608826	729798045	/nfs/dbraw/zinc/79/80/45/729798045.db2.gz	CUKVKBJLRBRJAJ-VIFPVBQESA-N	0	0	359.352	2.641	10	30		FFEERN
C[C@H](NC(=O)N[C@H]1CCCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2	ZINC000329856244	729799267	/nfs/dbraw/zinc/79/92/67/729799267.db2.gz	UQDDLCFBPUVKMR-HANOVZDXSA-N	0	0	354.516	2.672	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@@H](CNc2ccc(C#N)c(Cl)c2)[C@H](O)C1	ZINC000702765710	734356431	/nfs/dbraw/zinc/35/64/31/734356431.db2.gz	DHTMVZXDKVBCMI-IUODEOHRSA-N	0	0	351.834	2.851	10	30		FFEERN
C[C@H](O)CN1CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1	ZINC000329275182	967609347	/nfs/dbraw/zinc/60/93/47/967609347.db2.gz	JSSULZAZTZLAPM-FUHWJXTLSA-N	0	0	373.497	2.735	10	30		FFEERN
CN1CCOc2ccc(NC(=O)N[C@H]3CCN(c4ccccc4)C3)cc21	ZINC000329973103	969482584	/nfs/dbraw/zinc/48/25/84/969482584.db2.gz	ZMARXLMZHAEPBH-INIZCTEOSA-N	0	0	352.438	2.929	10	30		FFEERN
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N[C@@H]2CCCNC2=O)CCCC1	ZINC000330175558	970731618	/nfs/dbraw/zinc/73/16/18/970731618.db2.gz	JEMWZEOMUCDBLI-CYBMUJFWSA-N	0	0	361.446	2.730	10	30		FFEERN
COc1cccc2c1CCN([C@@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000193724083	999980581	/nfs/dbraw/zinc/98/05/81/999980581.db2.gz	QGFSPIPKMKESMG-QGZVFWFLSA-N	0	0	367.474	2.834	10	30		FFEERN
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1	ZINC000102121139	1005031076	/nfs/dbraw/zinc/03/10/76/1005031076.db2.gz	HZKPCACHIAECPF-MRXNPFEDSA-N	0	0	353.334	2.873	10	30		FFEERN
COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ncon3)cc2)c1	ZINC000107408854	1005438034	/nfs/dbraw/zinc/43/80/34/1005438034.db2.gz	CCAAYCKJWLXHDQ-MRXNPFEDSA-N	0	0	362.345	2.706	10	30		FFEERN
C=CCNC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc(OC)c1	ZINC000034921144	210170677	/nfs/dbraw/zinc/17/06/77/210170677.db2.gz	AWISQEVJAKQTDJ-BPVAQJAMSA-N	0	0	372.465	2.745	10	30		FFEERN
C=CCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1cc3c(cc12)OCO3	ZINC000033251529	210168430	/nfs/dbraw/zinc/16/84/30/210168430.db2.gz	AZJAQPARSDOBQI-UHFFFAOYSA-N	0	0	361.404	2.629	10	30		FFEERN
C=CC[C@H]([NH3+])[C@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000071613382	210062662	/nfs/dbraw/zinc/06/26/62/210062662.db2.gz	QTXGYCSWOPTKNC-RBUKOAKNSA-N	0	0	351.402	2.946	10	30		FFEERN
C=CCNC(=O)c1cc2ccc(OC(=O)c3cccs3)cc2oc1=O	ZINC000040891088	210046969	/nfs/dbraw/zinc/04/69/69/210046969.db2.gz	YTGJABNTRCUWIX-UHFFFAOYSA-N	0	0	355.371	2.990	10	30		FFEERN
O=c1[nH][nH]c2c1[C@@H](c1ncc[nH]1)C1=C(C[C@@H](c3cccs3)CC1=O)N2	ZINC000018196402	211194423	/nfs/dbraw/zinc/19/44/23/211194423.db2.gz	WKRMTAQDNWDZHG-OQPBUACISA-N	0	0	353.407	2.858	10	30		FFEERN
Cc1nnc([C@H](NC(=O)CSc2ccc(C#N)cc2)c2ccccc2)[nH]1	ZINC000103279956	250142066	/nfs/dbraw/zinc/14/20/66/250142066.db2.gz	OTBSYWOQFZZFNC-GOSISDBHSA-N	0	0	363.446	2.983	10	30		FFEERN
CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/[C@H]2CC=CCC2)c1	ZINC000013682994	211048287	/nfs/dbraw/zinc/04/82/87/211048287.db2.gz	WCYAIURDYHCKOE-VLURKWGBSA-N	0	0	366.512	2.565	10	30		FFEERN
COC(=O)c1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2	ZINC000013132324	211023793	/nfs/dbraw/zinc/02/37/93/211023793.db2.gz	TWCSUAYCBSLEMZ-CQSZACIVSA-N	0	0	358.785	2.740	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCOC4(CCCC4)C3)C2)n1	ZINC000151411501	251072251	/nfs/dbraw/zinc/07/22/51/251072251.db2.gz	JKLOLZPAPYHVAV-GOSISDBHSA-N	0	0	368.481	2.650	10	30		FFEERN
COc1ccc([N+](=O)[O-])cc1C=N[N-]c1nc2nc3ccccc3c-2[nH][nH+]1	ZINC000020258398	220321064	/nfs/dbraw/zinc/32/10/64/220321064.db2.gz	FCDZHYVDDVBTDE-GIJQJNRQSA-N	0	0	363.337	2.869	10	30		FFEERN
Cc1ccc(-n2nnnc2Sc2ccc([N+](=O)[O-])c(C#N)n2)cc1C	ZINC000302751000	258109745	/nfs/dbraw/zinc/10/97/45/258109745.db2.gz	VFOJWXHBAPSZIY-UHFFFAOYSA-N	0	0	353.367	2.605	10	30		FFEERN
Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1	ZINC000329001236	258126343	/nfs/dbraw/zinc/12/63/43/258126343.db2.gz	VVYMFHJVLWHZLE-IRXDYDNUSA-N	0	0	356.857	2.978	10	30		FFEERN
COC(=O)c1c(OC(F)(F)F)ccc(I)c1C#N	ZINC000575392626	518209283	/nfs/dbraw/zinc/20/92/83/518209283.db2.gz	VEMXKNLHYSHMAI-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
COC(=O)c1cc(C#N)c(I)cc1OC(F)(F)F	ZINC000575392527	518209386	/nfs/dbraw/zinc/20/93/86/518209386.db2.gz	NXHIHBZIGXSAJO-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
N#Cc1cc(I)c(Br)c([N+](=O)[O-])c1	ZINC000575692810	518249079	/nfs/dbraw/zinc/24/90/79/518249079.db2.gz	QKQDCXLDWGBFEG-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
CN(Cc1ccc(F)cc1Cl)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000107353801	507846032	/nfs/dbraw/zinc/84/60/32/507846032.db2.gz	LJVKUYAOULJLPX-UHFFFAOYSA-N	0	0	359.788	2.739	10	30		FFEERN
N#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc3[nH]cnc3c2)c1)C1CC1	ZINC000108830779	507921289	/nfs/dbraw/zinc/92/12/89/507921289.db2.gz	COQOGQGWFXXRPK-SFHVURJKSA-N	0	0	359.389	2.847	10	30		FFEERN
CCn1c(SCC(=O)N[C@H](C#N)C2CC2)nnc1-c1ccccc1C	ZINC000108831973	507921298	/nfs/dbraw/zinc/92/12/98/507921298.db2.gz	OLJCXCLOUVGURE-OAHLLOKOSA-N	0	0	355.467	2.784	10	30		FFEERN
N#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc3[nH]cnc3c2)c1)C1CC1	ZINC000108830782	507921489	/nfs/dbraw/zinc/92/14/89/507921489.db2.gz	COQOGQGWFXXRPK-GOSISDBHSA-N	0	0	359.389	2.847	10	30		FFEERN
CC(C)c1noc(CCCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)n1	ZINC000109390615	507959754	/nfs/dbraw/zinc/95/97/54/507959754.db2.gz	JKOPTFQRLQISBQ-UHFFFAOYSA-N	0	0	368.846	2.629	10	30		FFEERN
CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000091247750	507975479	/nfs/dbraw/zinc/97/54/79/507975479.db2.gz	YQCYLJFNAXWGFP-LJQANCHMSA-N	0	0	362.433	2.645	10	30		FFEERN
C[C@H](C#N)NC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](C)C#N)cc2)cc1	ZINC000091965418	508027997	/nfs/dbraw/zinc/02/79/97/508027997.db2.gz	ATDAJRFAJUSBNU-OKILXGFUSA-N	0	0	362.389	2.763	10	30		FFEERN
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCc2cc(C#N)ccc2F)CC1=O	ZINC000080775679	508102994	/nfs/dbraw/zinc/10/29/94/508102994.db2.gz	DXGQFVSIZAYJNB-KSSFIOAISA-N	0	0	365.408	2.923	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N1CCO[C@@H](c2nccs2)C1	ZINC000111885879	508134151	/nfs/dbraw/zinc/13/41/51/508134151.db2.gz	BUKPVZKTBVAWDX-MRXNPFEDSA-N	0	0	359.451	2.991	10	30		FFEERN
C#Cc1cccc(NC(=O)N2CCN([C@H](C)c3nc(CC)no3)CC2)c1	ZINC000112122969	508153166	/nfs/dbraw/zinc/15/31/66/508153166.db2.gz	DCULWEBLSKDRMZ-CQSZACIVSA-N	0	0	353.426	2.524	10	30		FFEERN
CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(CCC#N)CCN2CCOCC2)cc1	ZINC000076984686	508271219	/nfs/dbraw/zinc/27/12/19/508271219.db2.gz	VTCCTFFDIFPKOU-SFTDATJTSA-N	0	0	369.509	2.988	10	30		FFEERN
CC(C)n1nccc1NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000114514004	508323862	/nfs/dbraw/zinc/32/38/62/508323862.db2.gz	QZCGURBEMHTBPT-KRWDZBQOSA-N	0	0	352.442	2.706	10	30		FFEERN
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(C#N)cn1	ZINC000103929022	508324151	/nfs/dbraw/zinc/32/41/51/508324151.db2.gz	QQQZUUFARHDQIO-MRXNPFEDSA-N	0	0	358.348	2.625	10	30		FFEERN
CC(C)c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000086432439	508326742	/nfs/dbraw/zinc/32/67/42/508326742.db2.gz	DTIONNJDGKZKMZ-CQSZACIVSA-N	0	0	353.426	2.736	10	30		FFEERN
N#CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl	ZINC000104351693	508332805	/nfs/dbraw/zinc/33/28/05/508332805.db2.gz	QSRWUJUBNABSEM-KRWDZBQOSA-N	0	0	353.809	2.547	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1cc(C#N)ccc1C	ZINC000114674121	508335455	/nfs/dbraw/zinc/33/54/55/508335455.db2.gz	JNEPLSOBRZUXPC-MRXNPFEDSA-N	0	0	358.467	2.743	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)ccc1F	ZINC000114741632	508344505	/nfs/dbraw/zinc/34/45/05/508344505.db2.gz	MTOCRAZNANIPCR-LLVKDONJSA-N	0	0	351.428	2.722	10	30		FFEERN
N#Cc1ccc(CNC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)c(F)c1	ZINC000105600864	508377698	/nfs/dbraw/zinc/37/76/98/508377698.db2.gz	HBVSKDINQJQPBU-CQSZACIVSA-N	0	0	373.334	2.645	10	30		FFEERN
Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCO[C@@H](C#N)C1	ZINC000106048519	508390484	/nfs/dbraw/zinc/39/04/84/508390484.db2.gz	ACCPJJJYAQOMIR-VIFPVBQESA-N	0	0	355.341	2.988	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)CSCc1ccc(C#N)cc1)CC2	ZINC000133673630	508433772	/nfs/dbraw/zinc/43/37/72/508433772.db2.gz	LGJOIVCVSPVBMT-MRXNPFEDSA-N	0	0	369.494	2.638	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)ccc1Cl	ZINC000122449191	508537251	/nfs/dbraw/zinc/53/72/51/508537251.db2.gz	FMBUQHPANOTSLI-UHFFFAOYSA-N	0	0	350.831	2.503	10	30		FFEERN
CCOc1cc(C#N)cc(Br)c1OC[C@H](O)COC(C)C	ZINC000153408908	508579943	/nfs/dbraw/zinc/57/99/43/508579943.db2.gz	JXPKTDNSQYQMAT-GFCCVEGCSA-N	0	0	358.232	2.884	10	30		FFEERN
C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1nnc2n1CCCC2	ZINC000135421213	508602188	/nfs/dbraw/zinc/60/21/88/508602188.db2.gz	SZPFVJLPAUWKGY-ZDUSSCGKSA-N	0	0	355.467	2.597	10	30		FFEERN
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccn(CCC#N)n1	ZINC000117714527	508613938	/nfs/dbraw/zinc/61/39/38/508613938.db2.gz	XUBDFAAEFGWDQW-INIZCTEOSA-N	0	0	373.844	2.843	10	30		FFEERN
C=C(C)COc1cc(CN2CCO[C@@H](c3nnc(CC)[nH]3)C2)ccc1OC	ZINC000129105902	508684716	/nfs/dbraw/zinc/68/47/16/508684716.db2.gz	UKUPGMLXVVMPNA-GOSISDBHSA-N	0	0	372.469	2.904	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1	ZINC000137158811	508740831	/nfs/dbraw/zinc/74/08/31/508740831.db2.gz	QJNOMCYBRWFNIN-GOSISDBHSA-N	0	0	366.421	2.683	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1	ZINC000137158773	508741145	/nfs/dbraw/zinc/74/11/45/508741145.db2.gz	QJNOMCYBRWFNIN-SFHVURJKSA-N	0	0	366.421	2.683	10	30		FFEERN
CCn1cc(C2CCN(C(=O)COc3ccc(C#N)cc3OC)CC2)cn1	ZINC000123822423	508743624	/nfs/dbraw/zinc/74/36/24/508743624.db2.gz	HFGBSMRTWUDZCV-UHFFFAOYSA-N	0	0	368.437	2.568	10	30		FFEERN
C=C(C)CNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000154334379	508762454	/nfs/dbraw/zinc/76/24/54/508762454.db2.gz	FMYAEACHRYWTCC-CQSZACIVSA-N	0	0	353.806	2.695	10	30		FFEERN
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)cc1	ZINC000119504688	508809144	/nfs/dbraw/zinc/80/91/44/508809144.db2.gz	JVARFEPMZSZOMU-UHFFFAOYSA-N	0	0	365.437	2.556	10	30		FFEERN
C=CCC[C@@H](NC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1)c1ccccc1	ZINC000131035338	508879686	/nfs/dbraw/zinc/87/96/86/508879686.db2.gz	IHFFRRQFUBIEBA-IAGOWNOFSA-N	0	0	355.442	2.904	10	30		FFEERN
N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)c(F)c1	ZINC000125384451	508975506	/nfs/dbraw/zinc/97/55/06/508975506.db2.gz	WZYDDLJYHXYKDH-LLVKDONJSA-N	0	0	369.418	2.861	10	30		FFEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	ZINC000151272077	508990619	/nfs/dbraw/zinc/99/06/19/508990619.db2.gz	BFBYTYACEVYWMM-QAPCUYQASA-N	0	0	367.453	2.767	10	30		FFEERN
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](Oc2cccnc2)C1	ZINC000160654908	509015526	/nfs/dbraw/zinc/01/55/26/509015526.db2.gz	JHCBYGDCOJKHCV-SFHVURJKSA-N	0	0	351.406	2.791	10	30		FFEERN
C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)N1CCSCC1	ZINC000151542232	509040187	/nfs/dbraw/zinc/04/01/87/509040187.db2.gz	PWTKACBPTAJCMK-CYBMUJFWSA-N	0	0	372.519	2.981	10	30		FFEERN
C[C@]1(O)CCCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1	ZINC000162001005	509168937	/nfs/dbraw/zinc/16/89/37/509168937.db2.gz	UPRCNSBYJILGHV-UHYCVJNDSA-N	0	0	357.454	2.805	10	30		FFEERN
COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(C#N)c(C)n2)C1	ZINC000178925412	509185507	/nfs/dbraw/zinc/18/55/07/509185507.db2.gz	ULPIEFHFCASTAW-ZWKOTPCHSA-N	0	0	363.417	2.681	10	30		FFEERN
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H](n3cncn3)C2)c1	ZINC000176071846	509310740	/nfs/dbraw/zinc/31/07/40/509310740.db2.gz	VYHJMPSLRRSPJX-LBPRGKRZSA-N	0	0	362.340	2.620	10	30		FFEERN
Cc1ccc([C@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)o1	ZINC000182576384	509311598	/nfs/dbraw/zinc/31/15/98/509311598.db2.gz	ZGZACWGYZZUJTK-HOTGVXAUSA-N	0	0	372.494	2.709	10	30		FFEERN
N#Cc1ccc(C2(C(=O)N3C[C@@H](c4ccsc4)[C@H](CO)C3)CC2)cc1	ZINC000189230610	509474387	/nfs/dbraw/zinc/47/43/87/509474387.db2.gz	CFKXFKLWVMWTPZ-WMZOPIPTSA-N	0	0	352.459	2.886	10	30		FFEERN
C=C[C@H](CC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1	ZINC000179627565	509542898	/nfs/dbraw/zinc/54/28/98/509542898.db2.gz	JFROJSLFUSSXCS-AEFFLSMTSA-N	0	0	366.465	2.700	10	30		FFEERN
COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000249295006	509650976	/nfs/dbraw/zinc/65/09/76/509650976.db2.gz	AXPZOVNXYRCTLK-XSCRYXRVSA-N	0	0	368.433	2.935	10	30		FFEERN
COC(=O)[C@@]1(C)CCCN1CC(=O)N(CCC#N)c1cccc(C)c1C	ZINC000186401835	509691855	/nfs/dbraw/zinc/69/18/55/509691855.db2.gz	BULRVDMSUYFFKS-HXUWFJFHSA-N	0	0	357.454	2.578	10	30		FFEERN
CC(=O)N[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000249684719	509734588	/nfs/dbraw/zinc/73/45/88/509734588.db2.gz	LJYNYRIGWMNLOT-IEBWSBKVSA-N	0	0	370.497	2.539	10	30		FFEERN
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCN(c2cccnn2)CC1	ZINC000180070733	509737469	/nfs/dbraw/zinc/73/74/69/509737469.db2.gz	WSRMBSQPBAIRMT-HNNXBMFYSA-N	0	0	366.425	2.512	10	30		FFEERN
CN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C	ZINC000189790949	509754543	/nfs/dbraw/zinc/75/45/43/509754543.db2.gz	WBJBBZADIOZBFV-JKSUJKDBSA-N	0	0	361.417	2.864	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2Cn2ccnc2C)cc1	ZINC000176900116	509754656	/nfs/dbraw/zinc/75/46/56/509754656.db2.gz	PMYDTKIASBTENV-SFHVURJKSA-N	0	0	367.453	2.804	10	30		FFEERN
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1nn(C(C)C)cc1C#N	ZINC000176994031	509806605	/nfs/dbraw/zinc/80/66/05/509806605.db2.gz	NTCMDGIIKVWDMH-SFHVURJKSA-N	0	0	365.437	2.810	10	30		FFEERN
COc1cc(OC)cc([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)c1	ZINC000177026830	509825903	/nfs/dbraw/zinc/82/59/03/509825903.db2.gz	FQEBHJGXAGCNNZ-HNNXBMFYSA-N	0	0	372.446	2.754	10	30		FFEERN
Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)CCc1ccc(C#N)cc1	ZINC000183726458	509948099	/nfs/dbraw/zinc/94/80/99/509948099.db2.gz	XBLGQRSVJRJTGC-HXUWFJFHSA-N	0	0	365.408	2.638	10	30		FFEERN
C=CCOc1ccc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1OC	ZINC000190158591	509975239	/nfs/dbraw/zinc/97/52/39/509975239.db2.gz	KJTVDMJEICLJIE-CVEARBPZSA-N	0	0	359.426	2.913	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(C(=O)CSCc3ccc(C#N)cc3)C2)no1	ZINC000171236901	510027860	/nfs/dbraw/zinc/02/78/60/510027860.db2.gz	NDGAHQSAKLZASR-KRWDZBQOSA-N	0	0	370.478	2.964	10	30		FFEERN
CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C12CCOCC2	ZINC000187097086	510054210	/nfs/dbraw/zinc/05/42/10/510054210.db2.gz	SWARITJLBTXJBU-QZTJIDSGSA-N	0	0	354.450	2.946	10	30		FFEERN
C=CC[C@@H](C(=O)N1CCC(c2ccnn2CCO)CC1)c1ccccc1	ZINC000187327511	510198140	/nfs/dbraw/zinc/19/81/40/510198140.db2.gz	WCSSKVBSKBUNBB-LJQANCHMSA-N	0	0	353.466	2.941	10	30		FFEERN
Cc1cc(C)c(C#N)c(N2CCCN(Cc3noc(C4CC4)n3)CC2)n1	ZINC000174741709	510285426	/nfs/dbraw/zinc/28/54/26/510285426.db2.gz	DWACQQXJXXZSFV-UHFFFAOYSA-N	0	0	352.442	2.543	10	30		FFEERN
Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)nc2c1	ZINC000171787348	510369384	/nfs/dbraw/zinc/36/93/84/510369384.db2.gz	ANEFWPPGUWNTAG-UHFFFAOYSA-N	0	0	360.417	2.899	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1	ZINC000246223020	510375200	/nfs/dbraw/zinc/37/52/00/510375200.db2.gz	VNSWLEGTKLPSOB-PKOBYXMFSA-N	0	0	374.437	2.974	10	30		FFEERN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(Nc2nccs2)CC1	ZINC000188103909	510596254	/nfs/dbraw/zinc/59/62/54/510596254.db2.gz	GVVPNLISQRBMHY-UHFFFAOYSA-N	0	0	362.480	2.588	10	30		FFEERN
C=CCOCCCC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1	ZINC000246641556	510597841	/nfs/dbraw/zinc/59/78/41/510597841.db2.gz	BLVOFCKIEVUACC-HZPDHXFCSA-N	0	0	352.500	2.609	10	30		FFEERN
N#Cc1ccc(CCC(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1	ZINC000172388342	510703193	/nfs/dbraw/zinc/70/31/93/510703193.db2.gz	GFITXMXVFJOJLD-UHFFFAOYSA-N	0	0	360.417	2.981	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000172474959	510747013	/nfs/dbraw/zinc/74/70/13/510747013.db2.gz	PEUBQIXJGATCEA-CQSZACIVSA-N	0	0	368.441	2.808	10	30		FFEERN
Cc1ccc(S(=O)(=O)ON=C2c3cccnc3-c3ncccc32)cc1	ZINC000263618658	510761510	/nfs/dbraw/zinc/76/15/10/510761510.db2.gz	UWCROCJSYGJGEJ-UHFFFAOYSA-N	0	0	351.387	2.923	10	30		FFEERN
CC1(C)CN(C(=O)C(=O)Nc2ccc(CC#N)cc2)CC2(CCCC2)O1	ZINC000191690028	510788167	/nfs/dbraw/zinc/78/81/67/510788167.db2.gz	RALQPDJPMFMOMQ-UHFFFAOYSA-N	0	0	355.438	2.641	10	30		FFEERN
CCn1cc([C@H]2CN(C(=O)CSCc3ccc(C#N)cc3)CCO2)cn1	ZINC000191716929	510799731	/nfs/dbraw/zinc/79/97/31/510799731.db2.gz	SZRYABVTBPUFSE-GOSISDBHSA-N	0	0	370.478	2.608	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCSC[C@H]1c1cnn(C)c1)CCC2	ZINC000330033405	510902512	/nfs/dbraw/zinc/90/25/12/510902512.db2.gz	AEUCBBYXKQAWTH-HOCLYGCPSA-N	0	0	374.514	2.507	10	30		FFEERN
Cn1cc(N2CCC[C@@H](NC(=O)[C@H]3CCO[C@@H]3c3cccnc3)C2)cn1	ZINC000330117814	510919769	/nfs/dbraw/zinc/91/97/69/510919769.db2.gz	XMPWRHPFTREDNP-BPQIPLTHSA-N	0	0	355.442	2.518	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O	ZINC000330136821	510923341	/nfs/dbraw/zinc/92/33/41/510923341.db2.gz	HRUZBOLBHRJCDA-SOLBZPMBSA-N	0	0	374.485	2.778	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cc1	ZINC000330166196	510928598	/nfs/dbraw/zinc/92/85/98/510928598.db2.gz	XSUSGWWSXPMHML-IEZWGBDMSA-N	0	0	368.437	2.948	10	30		FFEERN
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@H]1CCCSC1	ZINC000330206302	510938059	/nfs/dbraw/zinc/93/80/59/510938059.db2.gz	DZFYXRJMRUGWRZ-BHYGNILZSA-N	0	0	365.547	2.544	10	30		FFEERN
COC(=O)c1c(C#N)ccc(Br)c1I	ZINC000307323429	511766127	/nfs/dbraw/zinc/76/61/27/511766127.db2.gz	CUINQNOAQMWUNI-UHFFFAOYSA-N	0	0	365.952	2.712	10	30		FFEERN
COC(=O)c1ccc(Br)c(I)c1C#N	ZINC000306923002	511766364	/nfs/dbraw/zinc/76/63/64/511766364.db2.gz	XZBMMQMWXUWKBP-UHFFFAOYSA-N	0	0	365.952	2.712	10	30		FFEERN
O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)N1CCO[C@H](c2ccccc2)C1	ZINC000328598860	511889641	/nfs/dbraw/zinc/88/96/41/511889641.db2.gz	BMQMKBRNKQTFDE-QYZOEREBSA-N	0	0	371.481	2.765	10	30		FFEERN
CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1ccc(C#N)cn1	ZINC000328631195	511901645	/nfs/dbraw/zinc/90/16/45/511901645.db2.gz	QPEPSVWDBKOEPL-LBPRGKRZSA-N	0	0	363.343	2.503	10	30		FFEERN
O=C(NCC[C@@H]1CCCO1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1	ZINC000328631436	511901936	/nfs/dbraw/zinc/90/19/36/511901936.db2.gz	QXNZEVJHJCQTRA-IRXDYDNUSA-N	0	0	374.485	2.618	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)CCC2	ZINC000328645290	511906718	/nfs/dbraw/zinc/90/67/18/511906718.db2.gz	ATSIXNUQUZYMJN-UONOGXRCSA-N	0	0	364.515	2.973	10	30		FFEERN
Cc1cccn2c(=O)c(C(=O)N[C@H]3CCCO[C@@H]3c3ccncc3)cnc12	ZINC000328652816	511908634	/nfs/dbraw/zinc/90/86/34/511908634.db2.gz	KQMFLJWJRHNSPM-DLBZAZTESA-N	0	0	364.405	2.623	10	30		FFEERN
O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328667496	511912550	/nfs/dbraw/zinc/91/25/50/511912550.db2.gz	DDLAYKKPCQJEMQ-HLLBOEOZSA-N	0	0	358.438	2.837	10	30		FFEERN
O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CCC(c2nccs2)CC1	ZINC000328750024	511925475	/nfs/dbraw/zinc/92/54/75/511925475.db2.gz	MOSSHBQJWCBIAF-OAHLLOKOSA-N	0	0	372.498	2.696	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCCC12CCOCC2	ZINC000328768774	511929065	/nfs/dbraw/zinc/92/90/65/511929065.db2.gz	BVINQORRRMIVST-XHSDSOJGSA-N	0	0	362.474	2.586	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)no1	ZINC000328802035	511933887	/nfs/dbraw/zinc/93/38/87/511933887.db2.gz	AOZQXCORMIUKGD-IKGGRYGDSA-N	0	0	355.442	2.874	10	30		FFEERN
CO[C@@H](C)c1nsc(N2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)n1	ZINC000328816925	511936759	/nfs/dbraw/zinc/93/67/59/511936759.db2.gz	PWOSZFQXEZWVSL-ONGXEEELSA-N	0	0	350.448	2.961	10	30		FFEERN
C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1C(=O)NCc1ccc2ccccc2n1	ZINC000328974636	511960066	/nfs/dbraw/zinc/96/00/66/511960066.db2.gz	CMEHQJMFLVAGOE-QFUCXCTJSA-N	0	0	369.465	2.901	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)NC2CCC(C)(C)CC2)CC(=O)N1C1CC1	ZINC000329100393	511983489	/nfs/dbraw/zinc/98/34/89/511983489.db2.gz	ZJWGWSXHUZAFON-CRAIPNDOSA-N	0	0	373.501	2.697	10	30		FFEERN
CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C12CCCC2	ZINC000329135580	511989948	/nfs/dbraw/zinc/98/99/48/511989948.db2.gz	GLROUVRFAFOAPX-NTDBWNAOSA-N	0	0	366.502	2.908	10	30		FFEERN
C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCc2cncnc2C1	ZINC000329131513	511990038	/nfs/dbraw/zinc/99/00/38/511990038.db2.gz	AGHZVQGELJUETD-ZDUSSCGKSA-N	0	0	354.410	2.673	10	30		FFEERN
CCc1ccc([C@H](C)NC(=O)[C@H](C)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1	ZINC000329162806	511996086	/nfs/dbraw/zinc/99/60/86/511996086.db2.gz	GDHGQRWXRRWVJV-DFEHZGFQSA-N	0	0	364.511	2.774	10	30		FFEERN
O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000329266020	512015919	/nfs/dbraw/zinc/01/59/19/512015919.db2.gz	FKKTUSHDKYZXGC-VIQHNZTISA-N	0	0	350.484	2.627	10	30		FFEERN
C[C@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1(C)C	ZINC000329526803	512064394	/nfs/dbraw/zinc/06/43/94/512064394.db2.gz	TYGVHCBIGIGNGS-JCKWVBRZSA-N	0	0	373.501	2.507	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)[C@@H]1OC[C@@H]2COCC[C@@H]12	ZINC000329566106	512070694	/nfs/dbraw/zinc/07/06/94/512070694.db2.gz	KRSBYVCOTXJLBP-IUNOTWKLSA-N	0	0	353.365	2.803	10	30		FFEERN
CN1CCO[C@H]2CCN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C[C@@H]21	ZINC000329582929	512072369	/nfs/dbraw/zinc/07/23/69/512072369.db2.gz	QKZNCXCRYBKLEG-STQMWFEESA-N	0	0	364.515	2.707	10	30		FFEERN
O=C(NC[C@@H]1CCCN1c1cccnn1)[C@H]1CCCN1c1nccs1	ZINC000329580794	512072576	/nfs/dbraw/zinc/07/25/76/512072576.db2.gz	LDAURTPRBHOPQX-UONOGXRCSA-N	0	0	358.471	2.527	10	30		FFEERN
CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1	ZINC000329601977	512074864	/nfs/dbraw/zinc/07/48/64/512074864.db2.gz	XVASXJHIODAFIU-NXWXRZEISA-N	0	0	360.454	2.603	10	30		FFEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@@H](C2CCCCC2)C1	ZINC000329615681	512077020	/nfs/dbraw/zinc/07/70/20/512077020.db2.gz	SIAMVNCBHVIVOP-JKSUJKDBSA-N	0	0	361.490	2.871	10	30		FFEERN
Cc1nc([C@@H]2CCCN(C(=O)N[C@H](C)CN3CCOCC3)C2)sc1C	ZINC000329726207	512091383	/nfs/dbraw/zinc/09/13/83/512091383.db2.gz	GNIBFQSNMNVYLH-CZUORRHYSA-N	0	0	366.531	2.574	10	30		FFEERN
C[C@@H]1CC[S@](=O)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000408042585	512989332	/nfs/dbraw/zinc/98/93/32/512989332.db2.gz	SNYAWAHAMWBXKN-ZZDSUILFSA-N	0	0	359.373	2.952	10	30		FFEERN
CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000376857349	513018932	/nfs/dbraw/zinc/01/89/32/513018932.db2.gz	RIBCNCPYUWKFNW-LJQANCHMSA-N	0	0	359.429	2.555	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCO[C@H](C(C)(C)C)C3)C2)n1	ZINC000408265605	513034920	/nfs/dbraw/zinc/03/49/20/513034920.db2.gz	LNSYCKAXHUCFRU-MSOLQXFVSA-N	0	0	370.497	2.752	10	30		FFEERN
COC[C@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC(C)(C)O1	ZINC000417144773	514191509	/nfs/dbraw/zinc/19/15/09/514191509.db2.gz	WEQRZOZEPYZVBB-OAHLLOKOSA-N	0	0	360.458	2.590	10	30		FFEERN
N#CCC(=O)[C@H]1CCCN(c2ccccc2I)C1=O	ZINC000536950786	516990364	/nfs/dbraw/zinc/99/03/64/516990364.db2.gz	LICGXLMKIOXMCI-SNVBAGLBSA-N	0	0	368.174	2.517	10	30		FFEERN
COC(=O)Cc1ccc(I)c(C#N)c1C(F)F	ZINC000575389218	518208964	/nfs/dbraw/zinc/20/89/64/518208964.db2.gz	FXKLGZIKPQPJEE-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)N1CC[C@@H]2CCC[C@@H]21	ZINC000330333909	568254235	/nfs/dbraw/zinc/25/42/35/568254235.db2.gz	YKQAZSFDFATKID-IXDGSTSKSA-N	0	0	367.449	2.703	10	30		FFEERN
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC[C@H](C)O2)nc1C	ZINC000153511447	728781705	/nfs/dbraw/zinc/78/17/05/728781705.db2.gz	BBMXKOKCTOWFSJ-WPRPVWTQSA-N	0	0	365.484	2.691	10	30		FFEERN
C#CCSCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1	ZINC000130781427	728720681	/nfs/dbraw/zinc/72/06/81/728720681.db2.gz	WXDOGBXUXRWACF-INIZCTEOSA-N	0	0	372.515	2.572	10	30		FFEERN
CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)NC2CCC(C(F)(F)F)CC2)C1	ZINC000329056206	729796137	/nfs/dbraw/zinc/79/61/37/729796137.db2.gz	SOCOXRFRMQJSMN-HCWSGVFWSA-N	0	0	361.368	2.602	10	30		FFEERN
Cc1nc([C@@H]2CN(C(=O)NC3CCC(C(F)(F)F)CC3)CCO2)no1	ZINC000329315661	729797124	/nfs/dbraw/zinc/79/71/24/729797124.db2.gz	HHGRYXCXHIJOOB-MCIGGMRASA-N	0	0	362.352	2.786	10	30		FFEERN
C[C@H](NC(=O)N[C@@H]1CCCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2	ZINC000329856245	729799299	/nfs/dbraw/zinc/79/92/99/729799299.db2.gz	UQDDLCFBPUVKMR-ZHGJIWRESA-N	0	0	354.516	2.672	10	30		FFEERN
C=CCNC(=O)[C@H](C)OC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C	ZINC000007472951	1013151816	/nfs/dbraw/zinc/15/18/16/1013151816.db2.gz	UHWPWBNRNOTCQH-ZDUSSCGKSA-N	0	0	358.442	2.983	10	30		FFEERN
Cc1ccc(NC(=O)N2CCC(c3nccs3)CC2)cc1-n1cnnn1	ZINC000328720676	962675314	/nfs/dbraw/zinc/67/53/14/962675314.db2.gz	GXDLAQQORMSWBU-UHFFFAOYSA-N	0	0	369.454	2.852	10	30		FFEERN
CCCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)n[nH]c1=O	ZINC000005971764	984812421	/nfs/dbraw/zinc/81/24/21/984812421.db2.gz	SALBPNOLRGUYIB-UHFFFAOYSA-N	0	0	369.450	2.825	10	30		FFEERN
C=CCc1cc(C(=O)NC[C@@H](O)Cc2ccccc2)cc(OC)c1OC	ZINC000104907714	1004864103	/nfs/dbraw/zinc/86/41/03/1004864103.db2.gz	WVEHLKKAMGYHLQ-SFHVURJKSA-N	0	0	355.434	2.766	10	30		FFEERN
CCc1nn(C[C@@H](O)COc2ccccc2C(C)C)c(=O)c(C#N)c1CC	ZINC000106363201	250265761	/nfs/dbraw/zinc/26/57/61/250265761.db2.gz	CRABVRUZGNQXNW-OAHLLOKOSA-N	0	0	369.465	2.803	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2CCC(Cn3cccn3)CC2)cc1Cl	ZINC000106185817	250251354	/nfs/dbraw/zinc/25/13/54/250251354.db2.gz	FCMGXKKTUZHVFC-UHFFFAOYSA-N	0	0	357.845	2.759	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1	ZINC000106225358	250260266	/nfs/dbraw/zinc/26/02/66/250260266.db2.gz	OMEKNOSZHNKILH-MRXNPFEDSA-N	0	0	357.845	2.992	10	30		FFEERN
N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000301574154	258056657	/nfs/dbraw/zinc/05/66/57/258056657.db2.gz	PJROVOLZMAKUDS-INIZCTEOSA-N	0	0	364.405	2.970	10	30		FFEERN
CCc1nnc(NCc2cccc(NC(=O)CN(C)C)c2)c(C#N)c1CC	ZINC000301612706	258058680	/nfs/dbraw/zinc/05/86/80/258058680.db2.gz	GGYCAAKJRWHUAT-UHFFFAOYSA-N	0	0	366.469	2.585	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2ccc(C#N)c(Cl)c2)CC(=O)N1C	ZINC000330145466	258156675	/nfs/dbraw/zinc/15/66/75/258156675.db2.gz	SGKSSUAZRDKEDI-CRAIPNDOSA-N	0	0	357.845	2.946	10	30		FFEERN
Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1	ZINC000329000947	258126268	/nfs/dbraw/zinc/12/62/68/258126268.db2.gz	VVYMFHJVLWHZLE-IAGOWNOFSA-N	0	0	356.857	2.978	10	30		FFEERN
N#Cc1cnc(Nc2cc(N3CCOCC3)c(-c3ccccc3)cn2)cn1	ZINC000098178684	132231921	/nfs/dbraw/zinc/23/19/21/132231921.db2.gz	QXTORUGYSIVLCY-UHFFFAOYSA-N	0	0	358.405	2.990	10	30		FFEERN
COC(=O)Cc1c(C#N)c(I)ccc1C(F)(F)F	ZINC000575392697	518209425	/nfs/dbraw/zinc/20/94/25/518209425.db2.gz	OGPUIZAROMJPCH-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
COC(=O)c1ccc(OC(F)(F)F)c(I)c1C#N	ZINC000575392610	518209477	/nfs/dbraw/zinc/20/94/77/518209477.db2.gz	UDTDIPVKJJMQNF-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
COC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1I	ZINC000575392265	518209575	/nfs/dbraw/zinc/20/95/75/518209575.db2.gz	GAZPRPYWZAQKGK-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000177587719	510146440	/nfs/dbraw/zinc/14/64/40/510146440.db2.gz	VBVDAKOROSQYEJ-SNVBAGLBSA-N	0	0	358.847	2.562	10	30		FFEERN
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC#Cc1ccccc1	ZINC000055316804	506724577	/nfs/dbraw/zinc/72/45/77/506724577.db2.gz	GZXADIVRFCZUDO-LJQANCHMSA-N	0	0	370.399	2.887	10	30		FFEERN
C#C[C@](C(=O)OC)(N(CC=C)C(=O)OCc1ccccc1)C(F)(F)F	ZINC000043464671	506746000	/nfs/dbraw/zinc/74/60/00/506746000.db2.gz	PVUZQYNDMZBABC-MRXNPFEDSA-N	0	0	355.312	2.919	10	30		FFEERN
Cn1c2ccccc2s/c1=N\N=C\c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000012499514	506870125	/nfs/dbraw/zinc/87/01/25/506870125.db2.gz	PQYZJGLSNFMEKH-SLVQDVNZSA-N	0	0	356.363	2.812	10	30		FFEERN
C[C@@H](C#N)CN(C)C(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000068225954	507155329	/nfs/dbraw/zinc/15/53/29/507155329.db2.gz	DPURLQARARWETR-PIKUFOSFSA-N	0	0	357.498	2.812	10	30		FFEERN
C[C@H](O)C/N=C1/N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S1	ZINC000020550536	507226911	/nfs/dbraw/zinc/22/69/11/507226911.db2.gz	WHPRMEQOEQKFGM-CJJSWDBDSA-N	0	0	372.416	2.667	10	30		FFEERN
C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCS1	ZINC000069151580	507421475	/nfs/dbraw/zinc/42/14/75/507421475.db2.gz	VUBMQEWEHBRXOH-ZFWWWQNUSA-N	0	0	362.474	2.813	10	30		FFEERN
CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@@H](C#N)C2CC2)cc1	ZINC000108831057	507921132	/nfs/dbraw/zinc/92/11/32/507921132.db2.gz	OWYWEWAELCYMKX-INIZCTEOSA-N	0	0	355.467	2.901	10	30		FFEERN
CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](C#N)C1CC1	ZINC000108830461	507921204	/nfs/dbraw/zinc/92/12/04/507921204.db2.gz	OHVNLZSTANAWRT-TZMCWYRMSA-N	0	0	366.508	2.769	10	30		FFEERN
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](C#N)C3CC3)cc2)cc1	ZINC000108841040	507921328	/nfs/dbraw/zinc/92/13/28/507921328.db2.gz	JLORTBJRXIOPDP-GOSISDBHSA-N	0	0	369.446	2.828	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1	ZINC000110423411	508027126	/nfs/dbraw/zinc/02/71/26/508027126.db2.gz	LWESDUJFYIEWND-KRWDZBQOSA-N	0	0	374.506	2.959	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1	ZINC000110904767	508055828	/nfs/dbraw/zinc/05/58/28/508055828.db2.gz	ZPWFYHVVCNFBMM-KRWDZBQOSA-N	0	0	355.438	2.606	10	30		FFEERN
N#CCOc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)cc1	ZINC000074873754	508066183	/nfs/dbraw/zinc/06/61/83/508066183.db2.gz	MXORCEGOXWYFMQ-ROUUACIJSA-N	0	0	353.426	2.769	10	30		FFEERN
C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCc2cc(C#N)ccc2F)CC1=O	ZINC000080775672	508102847	/nfs/dbraw/zinc/10/28/47/508102847.db2.gz	DXGQFVSIZAYJNB-KBXCAEBGSA-N	0	0	365.408	2.923	10	30		FFEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](Oc1ccccc1C#N)C(C)C	ZINC000081587652	508193910	/nfs/dbraw/zinc/19/39/10/508193910.db2.gz	XWTMSBWYTZPVGT-DOTOQJQBSA-N	0	0	353.426	2.513	10	30		FFEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](Oc1ccccc1C#N)C(C)C	ZINC000081587654	508194122	/nfs/dbraw/zinc/19/41/22/508194122.db2.gz	XWTMSBWYTZPVGT-NVXWUHKLSA-N	0	0	353.426	2.513	10	30		FFEERN
Cc1ccc(S(=O)(=O)OC[C@H]2OCCc3c4c(ccc32)C(=O)OC4)cc1	ZINC000113520623	508270683	/nfs/dbraw/zinc/27/06/83/508270683.db2.gz	SNMOMLNXZUEJDQ-GOSISDBHSA-N	0	0	374.414	2.685	10	30		FFEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1cn[nH]c1	ZINC000113893118	508284557	/nfs/dbraw/zinc/28/45/57/508284557.db2.gz	OEIQLJNDIVABKY-GOSISDBHSA-N	0	0	354.458	2.823	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1	ZINC000115389154	508390488	/nfs/dbraw/zinc/39/04/88/508390488.db2.gz	LDGWQYBVBFWURP-UHFFFAOYSA-N	0	0	368.481	2.560	10	30		FFEERN
CCOc1cc(C)nc(N2CCN(Cc3ccc(C#N)cc3F)CC2)n1	ZINC000106153771	508396374	/nfs/dbraw/zinc/39/63/74/508396374.db2.gz	QSIMOTIPIITQGF-UHFFFAOYSA-N	0	0	355.417	2.517	10	30		FFEERN
CC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1cccc([N+](=O)[O-])c1	ZINC000136582340	508702074	/nfs/dbraw/zinc/70/20/74/508702074.db2.gz	FQCCFHWOAWCTOQ-OAHLLOKOSA-N	0	0	370.340	2.812	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)ccc1F	ZINC000123887409	508753251	/nfs/dbraw/zinc/75/32/51/508753251.db2.gz	QKBKUICUEQAHHW-QFBILLFUSA-N	0	0	374.437	2.974	10	30		FFEERN
CN(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@H]1CCCc2c1cnn2C	ZINC000154460585	508789220	/nfs/dbraw/zinc/78/92/20/508789220.db2.gz	HOQVKNSQBYEUFE-MZEUMTGBSA-N	0	0	350.422	2.872	10	30		FFEERN
C=CCC[C@@H](NC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1)c1ccccc1	ZINC000131035133	508879349	/nfs/dbraw/zinc/87/93/49/508879349.db2.gz	IHFFRRQFUBIEBA-SJORKVTESA-N	0	0	355.442	2.904	10	30		FFEERN
C#CCCCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1	ZINC000155970963	509102704	/nfs/dbraw/zinc/10/27/04/509102704.db2.gz	OLCLPPBNGRZCLO-GOSISDBHSA-N	0	0	350.418	2.766	10	30		FFEERN
Cc1cc(C)n(C[C@@H]2CN(CCCOc3cccc(C#N)c3)CCO2)n1	ZINC000156225104	509146624	/nfs/dbraw/zinc/14/66/24/509146624.db2.gz	KRIGCHMPGJJJHL-FQEVSTJZSA-N	0	0	354.454	2.542	10	30		FFEERN
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1nnc2n1CCCC2	ZINC000121384163	509170985	/nfs/dbraw/zinc/17/09/85/509170985.db2.gz	OIPXGHGCXCRYEL-OAHLLOKOSA-N	0	0	364.453	2.945	10	30		FFEERN
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1CO	ZINC000175912528	509212423	/nfs/dbraw/zinc/21/24/23/509212423.db2.gz	LBYVTWPPTRELSS-HOCLYGCPSA-N	0	0	354.372	2.907	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1	ZINC000188825867	509282881	/nfs/dbraw/zinc/28/28/81/509282881.db2.gz	JSRLHNGHAUSJDU-LJQANCHMSA-N	0	0	370.453	2.751	10	30		FFEERN
CN1c2ccccc2N(C)C1=C1C(=O)CN([C@H]2CCO[C@@H](C3CC3)C2)C1=N	ZINC000248397153	509291416	/nfs/dbraw/zinc/29/14/16/509291416.db2.gz	RHXYHVFXLWNEBJ-KBXCAEBGSA-N	0	0	366.465	2.604	10	30		FFEERN
CC(C)c1nc([C@H]2CCCN2CCS(=O)(=O)c2ccc(C#N)cc2)no1	ZINC000176222955	509387729	/nfs/dbraw/zinc/38/77/29/509387729.db2.gz	GPSOCCVCKFRSBY-MRXNPFEDSA-N	0	0	374.466	2.675	10	30		FFEERN
N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCCCC3)C2=O)cc1	ZINC000248691782	509438394	/nfs/dbraw/zinc/43/83/94/509438394.db2.gz	ALFQQPSLMRRRSK-ZCNNSNEGSA-N	0	0	365.477	2.992	10	30		FFEERN
Cc1ccc([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1	ZINC000192304132	509453447	/nfs/dbraw/zinc/45/34/47/509453447.db2.gz	QHCDTHXUAVBDSI-YOEHRIQHSA-N	0	0	366.421	2.621	10	30		FFEERN
CCO[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C12CCOCC2	ZINC000185969723	509455584	/nfs/dbraw/zinc/45/55/84/509455584.db2.gz	XGEZJFZBYDVHAG-ROUUACIJSA-N	0	0	357.454	2.674	10	30		FFEERN
Cc1cc2ncc([C@@H](C)Nc3cnn(-c4ncccc4C#N)c3)c(C)n2n1	ZINC000185998187	509471233	/nfs/dbraw/zinc/47/12/33/509471233.db2.gz	WKNDZHDASXZIBP-CYBMUJFWSA-N	0	0	358.409	2.972	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N2Cc3cnnn3Cc3ccccc32)cc1	ZINC000189296291	509505872	/nfs/dbraw/zinc/50/58/72/509505872.db2.gz	MTOBKPXZDARUEX-JXMROGBWSA-N	0	0	371.400	2.789	10	30		FFEERN
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(NC(=O)C2CC2)C1	ZINC000189368555	509542151	/nfs/dbraw/zinc/54/21/51/509542151.db2.gz	YRKLUJHTAURDQI-UHFFFAOYSA-N	0	0	368.355	2.621	10	30		FFEERN
Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(CC#N)cc3)C2)n1	ZINC000173383546	509564380	/nfs/dbraw/zinc/56/43/80/509564380.db2.gz	WFNOFEJWQDNAOX-HNNXBMFYSA-N	0	0	368.462	2.862	10	30		FFEERN
Cc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)cc2)N2CCOCC2)s1	ZINC000176571007	509589437	/nfs/dbraw/zinc/58/94/37/509589437.db2.gz	SHKSOWQNAVAMGD-GOSISDBHSA-N	0	0	369.490	2.660	10	30		FFEERN
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1c1noc(C(C)C)n1	ZINC000173596839	509666778	/nfs/dbraw/zinc/66/67/78/509666778.db2.gz	WLUACVOLYQHNJI-AWEZNQCLSA-N	0	0	370.409	2.816	10	30		FFEERN
Cc1cc(N2CCC[C@@H](Nc3ccc4cc(C#N)ccc4n3)C2=O)n(C)n1	ZINC000179930579	509677373	/nfs/dbraw/zinc/67/73/73/509677373.db2.gz	GSGZONIIPZTBON-QGZVFWFLSA-N	0	0	360.421	2.756	10	30		FFEERN
Cc1cccc(N2CCC(NC(=O)NCc3cc(C#N)ccc3F)CC2)n1	ZINC000176857595	509728151	/nfs/dbraw/zinc/72/81/51/509728151.db2.gz	SFXCRGYOGCCMST-UHFFFAOYSA-N	0	0	367.428	2.869	10	30		FFEERN
CNc1nnc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)s1	ZINC000183419803	509777050	/nfs/dbraw/zinc/77/70/50/509777050.db2.gz	JOLVYGQRYXSSCA-UHFFFAOYSA-N	0	0	370.463	2.680	10	30		FFEERN
COC(=O)C1CCC(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1	ZINC000180173676	509793647	/nfs/dbraw/zinc/79/36/47/509793647.db2.gz	LYINLHZRGXOXGE-UHFFFAOYSA-N	0	0	370.449	2.907	10	30		FFEERN
CCc1nccn1[C@H]1CCCN([C@H](C(=O)OC)c2cccc(C#N)c2)C1	ZINC000177058493	509846504	/nfs/dbraw/zinc/84/65/04/509846504.db2.gz	AFFYUUACCUYSIL-HKUYNNGSSA-N	0	0	352.438	2.868	10	30		FFEERN
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1cccc(-n2ccnc2)c1	ZINC000173965590	509878239	/nfs/dbraw/zinc/87/82/39/509878239.db2.gz	OFNSMTSZYVBKMR-CQSZACIVSA-N	0	0	352.419	2.783	10	30		FFEERN
Cc1sc(NC(=O)CN2CCC(Nc3cccnn3)CC2)c(C#N)c1C	ZINC000177126974	509888653	/nfs/dbraw/zinc/88/86/53/509888653.db2.gz	CDYWDNYEKWSUHV-UHFFFAOYSA-N	0	0	370.482	2.542	10	30		FFEERN
COc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccn2)cc1	ZINC000254372089	509905544	/nfs/dbraw/zinc/90/55/44/509905544.db2.gz	BQXAIXXLTDBPAH-UHFFFAOYSA-N	0	0	367.430	2.821	10	30		FFEERN
COc1ccc(CN2C(=O)C[C@H](C(N)=O)SC2=Nc2ccccc2)cc1	ZINC000254508746	509907274	/nfs/dbraw/zinc/90/72/74/509907274.db2.gz	UUZDVRXJIDGFSP-MRXNPFEDSA-N	0	0	369.446	2.702	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](c2nccs2)C1	ZINC000177508171	510104597	/nfs/dbraw/zinc/10/45/97/510104597.db2.gz	HWOKNQJGJMBMSO-AWEZNQCLSA-N	0	0	354.435	2.668	10	30		FFEERN
N#Cc1cccc(NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c1	ZINC000174443112	510117423	/nfs/dbraw/zinc/11/74/23/510117423.db2.gz	KNYNNDJGUDURGX-UHFFFAOYSA-N	0	0	366.425	2.558	10	30		FFEERN
CC(C)(C)c1csc([C@@H]2CN(S(=O)(=O)CCCCC#N)CCO2)n1	ZINC000193956548	510148885	/nfs/dbraw/zinc/14/88/85/510148885.db2.gz	VLWHQWYVUHNOHK-ZDUSSCGKSA-N	0	0	371.528	2.838	10	30		FFEERN
C[C@@H](NC(N)=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	ZINC000171438423	510159697	/nfs/dbraw/zinc/15/96/97/510159697.db2.gz	KACQYQICYYSWTM-IAQYHMDHSA-N	0	0	356.813	2.991	10	30		FFEERN
Cc1nc(CN2CCCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)no1	ZINC000174529519	510162655	/nfs/dbraw/zinc/16/26/55/510162655.db2.gz	ZNBCPOOQESDQAH-UHFFFAOYSA-N	0	0	374.832	2.643	10	30		FFEERN
C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000187275007	510164007	/nfs/dbraw/zinc/16/40/07/510164007.db2.gz	GPTBGVIKERNZIG-OLZOCXBDSA-N	0	0	368.355	2.874	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N[C@@H]2COc3ccccc32)cc1C(F)(F)F	ZINC000177654706	510182705	/nfs/dbraw/zinc/18/27/05/510182705.db2.gz	DDMYQJTYPZWFNE-CQSZACIVSA-N	0	0	368.336	2.989	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1Cn1ccnc1	ZINC000177771058	510243776	/nfs/dbraw/zinc/24/37/76/510243776.db2.gz	ISZLGUWYMDJZES-QGZVFWFLSA-N	0	0	368.437	2.614	10	30		FFEERN
N#Cc1ccccc1Cn1cccc1CN1CCO[C@@H]([C@@H]2CCCO2)C1	ZINC000187459726	510279247	/nfs/dbraw/zinc/27/92/47/510279247.db2.gz	JBSVEGDPXPIRST-LEWJYISDSA-N	0	0	351.450	2.788	10	30		FFEERN
Cc1ccc(OC2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)nc1	ZINC000181198220	510298542	/nfs/dbraw/zinc/29/85/42/510298542.db2.gz	HUKWYLBZAVGCPE-UHFFFAOYSA-N	0	0	365.433	2.905	10	30		FFEERN
N#Cc1ccccc1OCC(=O)NC1(c2noc(C3CC3)n2)CCCC1	ZINC000174968264	510412341	/nfs/dbraw/zinc/41/23/41/510412341.db2.gz	BPNFKSHYCSNGIR-UHFFFAOYSA-N	0	0	352.394	2.783	10	30		FFEERN
CCc1nn(CC2CCN(C(=O)CC(C)C)CC2)c(=O)c(C#N)c1CC	ZINC000184997158	510623295	/nfs/dbraw/zinc/62/32/95/510623295.db2.gz	AKGDJONYVQVQDW-UHFFFAOYSA-N	0	0	358.486	2.524	10	30		FFEERN
C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)C1	ZINC000246748612	510652123	/nfs/dbraw/zinc/65/21/23/510652123.db2.gz	NSCWTOOEFCHJHD-SYNHAJSKSA-N	0	0	354.454	2.522	10	30		FFEERN
CC(=O)NC1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1	ZINC000191488458	510684227	/nfs/dbraw/zinc/68/42/27/510684227.db2.gz	UHPDUSSODDHRIZ-UHFFFAOYSA-N	0	0	351.431	2.670	10	30		FFEERN
C=CC[C@H](C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1	ZINC000188339429	510718284	/nfs/dbraw/zinc/71/82/84/510718284.db2.gz	XRFHXTZATRIKKG-ZWKOTPCHSA-N	0	0	366.465	2.700	10	30		FFEERN
CNC(=O)[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)C(C)C	ZINC000178681676	510719397	/nfs/dbraw/zinc/71/93/97/510719397.db2.gz	XWTWOMZQHBVKMD-LJQANCHMSA-N	0	0	365.433	2.638	10	30		FFEERN
N#Cc1cccc(NC(=O)CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1	ZINC000246902928	510737279	/nfs/dbraw/zinc/73/72/79/510737279.db2.gz	XTKYFZDRAKXPEJ-QAPCUYQASA-N	0	0	357.360	2.583	10	30		FFEERN
CC[C@H]1CN(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)CCS1	ZINC000330022870	510901345	/nfs/dbraw/zinc/90/13/45/510901345.db2.gz	HTMNHPMGZTUJBY-BQFCYCMXSA-N	0	0	361.511	2.947	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NC[C@@H]3CCO[C@@H]3C(C)C)C2)n1	ZINC000330213492	510938997	/nfs/dbraw/zinc/93/89/97/510938997.db2.gz	LADKSUIZVIPSMV-FGTMMUONSA-N	0	0	363.506	2.582	10	30		FFEERN
CC(=O)N[C@@H]1CCCN(C(=O)c2sc([C@H]3CCCOC3)nc2C)C1	ZINC000330294712	510959704	/nfs/dbraw/zinc/95/97/04/510959704.db2.gz	FILQTFQRZJBVBV-UONOGXRCSA-N	0	0	351.472	2.927	10	30		FFEERN
C=CCn1nnnc1Sc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000301256435	511693386	/nfs/dbraw/zinc/69/33/86/511693386.db2.gz	UAUVTQHHOOZWDR-UHFFFAOYSA-N	0	0	355.383	2.684	10	30		FFEERN
CCn1cc(NC(=O)C2CCN(c3cc(C#N)ccc3C(C)=O)CC2)cn1	ZINC000302123732	511706853	/nfs/dbraw/zinc/70/68/53/511706853.db2.gz	VKNPKUUZTCWUEU-UHFFFAOYSA-N	0	0	365.437	2.832	10	30		FFEERN
O=C(C#CBr)Nc1cccc(F)c1I	ZINC000306724587	511764672	/nfs/dbraw/zinc/76/46/72/511764672.db2.gz	IZWFVTJWMYRWLZ-UHFFFAOYSA-N	0	0	367.943	2.725	10	30		FFEERN
O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)N1CCO[C@@H](c2ccccc2)C1	ZINC000328598859	511889569	/nfs/dbraw/zinc/88/95/69/511889569.db2.gz	BMQMKBRNKQTFDE-CEXWTWQISA-N	0	0	371.481	2.765	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N(CCO)[C@H]1CCc3ccccc31)CCC2	ZINC000328645061	511906144	/nfs/dbraw/zinc/90/61/44/511906144.db2.gz	GFVRZQJHBAVQGP-HKUYNNGSSA-N	0	0	368.481	2.965	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(C(=O)NC[C@@H]3CCCn4cc(C)nc43)C2)c1	ZINC000328645843	511906634	/nfs/dbraw/zinc/90/66/34/511906634.db2.gz	GQBLEHMKMFWNBC-DLBZAZTESA-N	0	0	356.474	2.825	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1)CCC2	ZINC000328655938	511908820	/nfs/dbraw/zinc/90/88/20/511908820.db2.gz	NHVQYFJAACVVCC-IRXDYDNUSA-N	0	0	367.453	2.996	10	30		FFEERN
Cc1csc([C@@H]2CN(C(=O)NC[C@@H]3CCO[C@H]3C(C)C)CCO2)n1	ZINC000328663844	511912682	/nfs/dbraw/zinc/91/26/82/511912682.db2.gz	BFZCXFQOVAKVPT-KKUMJFAQSA-N	0	0	353.488	2.800	10	30		FFEERN
C[C@@H]1CCC[C@H](C)N1C(=O)CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000328670285	511912820	/nfs/dbraw/zinc/91/28/20/511912820.db2.gz	GIVNEBFNFMXIPM-YJXLLHPSSA-N	0	0	366.465	2.771	10	30		FFEERN
C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCCCNC3=O)cn2)CCO1	ZINC000328772755	511929390	/nfs/dbraw/zinc/92/93/90/511929390.db2.gz	BFOHVRPVTVOJMU-ZBFHGGJFSA-N	0	0	360.458	2.910	10	30		FFEERN
COc1ccc2ccccc2c1CNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1	ZINC000328900015	511947880	/nfs/dbraw/zinc/94/78/80/511947880.db2.gz	XVEVZIHTCPNHGE-QUCCMNQESA-N	0	0	369.465	2.667	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)CC2	ZINC000328963983	511958772	/nfs/dbraw/zinc/95/87/72/511958772.db2.gz	LQZUGJNVTBWKSE-CKEIUWERSA-N	0	0	372.473	2.574	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2CCC(C)(C)O2)CCC(=O)N1C1CC1	ZINC000329163563	511995924	/nfs/dbraw/zinc/99/59/24/511995924.db2.gz	GICWIMCBSRXGCS-FRFSOERESA-N	0	0	360.458	2.529	10	30		FFEERN
C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000329160254	511995960	/nfs/dbraw/zinc/99/59/60/511995960.db2.gz	DRVYXBCWAOKWNA-BGIGGGFGSA-N	0	0	372.469	2.576	10	30		FFEERN
C[C@H](NC(=O)N1CCO[C@]2(CCCOC2)C1)c1cccc(-n2ccnc2)c1	ZINC000329235794	512010396	/nfs/dbraw/zinc/01/03/96/512010396.db2.gz	NUFDVSUVQZXPNU-OXJNMPFZSA-N	0	0	370.453	2.729	10	30		FFEERN
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000329300769	512022887	/nfs/dbraw/zinc/02/28/87/512022887.db2.gz	VUDVAUHPATYIFB-HYVNUMGLSA-N	0	0	359.470	2.676	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCn3cccc3[C@@H]1C)CCC2	ZINC000329514567	512061672	/nfs/dbraw/zinc/06/16/72/512061672.db2.gz	LXIFGKNGEUTJBS-GOEBONIOSA-N	0	0	357.458	2.699	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3COc4ccccc4C3)C2)nn1	ZINC000329584330	512072455	/nfs/dbraw/zinc/07/24/55/512072455.db2.gz	LXQXGVNJZUPJMZ-SJORKVTESA-N	0	0	352.438	2.962	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCc4occc43)C2)nn1	ZINC000329662705	512083382	/nfs/dbraw/zinc/08/33/82/512083382.db2.gz	JFMPRYKOSNHBDH-GOEBONIOSA-N	0	0	355.442	2.928	10	30		FFEERN
C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCC1(F)F	ZINC000329702525	512088144	/nfs/dbraw/zinc/08/81/44/512088144.db2.gz	HWYYNEYANHIACE-IJEWVQPXSA-N	0	0	369.460	2.694	10	30		FFEERN
O=C(NC1CCC(c2nc([C@@H]3CN4CCN3CC4)no2)CC1)C1CCCC1	ZINC000329723282	512090114	/nfs/dbraw/zinc/09/01/14/512090114.db2.gz	NQFRQZXUFOWAGB-JCYILVPMSA-N	0	0	373.501	2.915	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)NC[C@]1(C)CCCS1)CCC2	ZINC000329726364	512091191	/nfs/dbraw/zinc/09/11/91/512091191.db2.gz	CCSHZESRSGQWTQ-PBHICJAKSA-N	0	0	352.504	2.696	10	30		FFEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1O	ZINC000407958495	512975720	/nfs/dbraw/zinc/97/57/20/512975720.db2.gz	QRIYDRUCNJQGGL-BZUAXINKSA-N	0	0	360.458	2.508	10	30		FFEERN
C[C@H]1CCCN1S(=O)(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000408290266	513039235	/nfs/dbraw/zinc/03/92/35/513039235.db2.gz	NYYDOXKSDZCVMR-OOHWJJMZSA-N	0	0	363.483	2.567	10	30		FFEERN
Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCC[C@H]1C#N	ZINC000408340287	513047621	/nfs/dbraw/zinc/04/76/21/513047621.db2.gz	VESBDELQBONTGH-CABZTGNLSA-N	0	0	361.236	2.867	10	30		FFEERN
COC(=O)c1cc(I)c(C#N)c(OC(F)F)c1	ZINC000575385870	518208257	/nfs/dbraw/zinc/20/82/57/518208257.db2.gz	BXXUMOAMTKKTBK-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC1(c2nc(-c3ccccn3)no2)CCN(c2ncccc2C#N)CC1	ZINC000568540917	519091806	/nfs/dbraw/zinc/09/18/06/519091806.db2.gz	SLVJNYWCSYILSD-UHFFFAOYSA-N	0	0	362.393	2.540	10	30		FFEERN
CCOC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)NCc1ccc(OC)cc1	ZINC000004565150	520396017	/nfs/dbraw/zinc/39/60/17/520396017.db2.gz	GUXMZTCYQVDZCX-UHFFFAOYSA-N	0	0	372.381	2.682	10	30		FFEERN
CNC(=O)c1ccc([C@H]2CCCCN2CC(=O)NCc2ccco2)n1C	ZINC000328628005	521859284	/nfs/dbraw/zinc/85/92/84/521859284.db2.gz	GTJPYXKYNUYRBV-MRXNPFEDSA-N	0	0	358.442	2.661	10	30		FFEERN
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)C(=O)N1CCCC1	ZINC000138509298	728740692	/nfs/dbraw/zinc/74/06/92/728740692.db2.gz	VILJPQYJUWATAG-QLFBSQMISA-N	0	0	361.239	2.884	10	30		FFEERN
COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000171034666	728995716	/nfs/dbraw/zinc/99/57/16/728995716.db2.gz	JTDHOQQPYHDUEB-JHJVBQTASA-N	0	0	369.248	2.958	10	30		FFEERN
COC(=O)[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000171372055	729003261	/nfs/dbraw/zinc/00/32/61/729003261.db2.gz	IBFMMPZYWDAMMS-BFHYXJOUSA-N	0	0	351.387	2.667	10	30		FFEERN
CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCC(C#N)CC1	ZINC000173804980	729054516	/nfs/dbraw/zinc/05/45/16/729054516.db2.gz	ASRYLEPZTKVUMW-HUUCEWRRSA-N	0	0	350.463	2.625	10	30		FFEERN
CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(C(=O)N2CCCC2)c1	ZINC000328869250	729795468	/nfs/dbraw/zinc/79/54/68/729795468.db2.gz	HNXBGNBPWHJFEM-HNNXBMFYSA-N	0	0	361.467	2.822	10	30		FFEERN
C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000328938442	729795663	/nfs/dbraw/zinc/79/56/63/729795663.db2.gz	RNYAGVPRVQLAJL-DCGLDWPTSA-N	0	0	353.413	2.610	10	30		FFEERN
C[C@H](NC(=O)N1CCOC[C@@H]1c1ncnn1C)c1ccc(Cl)s1	ZINC000328895405	729795693	/nfs/dbraw/zinc/79/56/93/729795693.db2.gz	VFJNPOMXRAMXIN-VHSXEESVSA-N	0	0	355.851	2.579	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](C)c2csc(C)n2)C1	ZINC000330179495	729800197	/nfs/dbraw/zinc/80/01/97/729800197.db2.gz	MMKAEADDNFJJFC-YDEJPDAXSA-N	0	0	351.432	2.580	10	30		FFEERN
CCNc1ccc(Cl)cc1NC(=O)CCNC(=O)C1N=CC=CC1=O	ZINC000588401721	845957738	/nfs/dbraw/zinc/95/77/38/845957738.db2.gz	GWHFZFXARUCPSW-WUKNDPDISA-N	0	0	362.817	2.627	10	30		FFEERN
CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000588499526	845970381	/nfs/dbraw/zinc/97/03/81/845970381.db2.gz	OYNCQUCIAVRBMQ-WBWFNYFSSA-N	0	0	363.483	2.730	10	30		FFEERN
CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)C[C@H]1CCCO1)C2=O	ZINC000328685420	962022903	/nfs/dbraw/zinc/02/29/03/962022903.db2.gz	FOZJUZBVQRGCSN-PPXVZNSRSA-N	0	0	365.474	2.996	10	30		FFEERN
O=C(Nc1cccc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1)[C@@H]1CCCO1	ZINC000328861668	964902093	/nfs/dbraw/zinc/90/20/93/964902093.db2.gz	YYPXJKYLUAVNQT-OAGGEKHMSA-N	0	0	357.410	2.645	10	30		FFEERN
CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccn1	ZINC000588447176	965051771	/nfs/dbraw/zinc/05/17/71/965051771.db2.gz	MFSILNIHEBIXOV-WQTVUKCASA-N	0	0	350.334	2.741	10	30		FFEERN
Cc1nnc2n1C[C@H](CNC(=O)[C@@H]1CC(=O)N(C3CCC(C)CC3)C1)CC2	ZINC000329315510	967642924	/nfs/dbraw/zinc/64/29/24/967642924.db2.gz	DTVQVMUFMBHKAG-CBUUIXETSA-N	0	0	373.501	2.533	10	30		FFEERN
CSc1cc2c(cc1NC(=O)N1CC[C@@H](c3cnn(C)c3)C1)OCCO2	ZINC000329331358	967649027	/nfs/dbraw/zinc/64/90/27/967649027.db2.gz	MIGZQMBZCDYBQY-GFCCVEGCSA-N	0	0	374.466	2.948	10	30		FFEERN
N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCOC[C@H]1c1nnc(-c2cccs2)o1	ZINC000329383656	967671192	/nfs/dbraw/zinc/67/11/92/967671192.db2.gz	OYYIYUWSDNTMEJ-AVGNSLFASA-N	0	0	373.438	2.778	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329594282	967831240	/nfs/dbraw/zinc/83/12/40/967831240.db2.gz	OPJBXRKDZAXHNC-CJNGLKHVSA-N	0	0	356.474	2.864	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1	ZINC000332884528	977677852	/nfs/dbraw/zinc/67/78/52/977677852.db2.gz	FMHCFSBLGFNKLX-LJISPDSOSA-N	0	0	359.430	2.850	10	30		FFEERN
C#CCN(C(=O)CCc1ccc(-c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1	ZINC000104307752	1004528980	/nfs/dbraw/zinc/52/89/80/1004528980.db2.gz	AITIZGUOHBUYRJ-QGZVFWFLSA-N	0	0	371.458	2.528	10	30		FFEERN
Cc1csc(N2CCCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)n1	ZINC000055759375	210207195	/nfs/dbraw/zinc/20/71/95/210207195.db2.gz	YJCARMPQFGZWHC-HNNXBMFYSA-N	0	0	370.478	2.829	10	30		FFEERN
C=CCO[C@H]1[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H](OC)[C@H]1OCC=C	ZINC000095921698	210088461	/nfs/dbraw/zinc/08/84/61/210088461.db2.gz	FMKYMGOFTWEBLP-MILMJNAHSA-N	0	0	362.422	2.614	10	30		FFEERN
C=C(C)C(=O)NCCCc1nc2ccccc2n1CC(=O)N(CC)CC	ZINC000040210196	210043619	/nfs/dbraw/zinc/04/36/19/210043619.db2.gz	YSXLYTSOCLWQKO-UHFFFAOYSA-N	0	0	356.470	2.530	10	30		FFEERN
COc1ccc(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2C#N)cc1	ZINC000049703570	249480966	/nfs/dbraw/zinc/48/09/66/249480966.db2.gz	CCZHKZJUDFALPK-QGZVFWFLSA-N	0	0	370.430	2.603	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)COCc1ccccc1	ZINC000173531966	251200864	/nfs/dbraw/zinc/20/08/64/251200864.db2.gz	AQVWCVKPERYSSS-OAHLLOKOSA-N	0	0	351.406	2.527	10	30		FFEERN
Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(C#N)c(C)n1	ZINC000301753445	258066085	/nfs/dbraw/zinc/06/60/85/258066085.db2.gz	BXGIQDFGVYHNAR-UHFFFAOYSA-N	0	0	371.422	2.502	10	30		FFEERN
N#Cc1ccccc1N1CCN(C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)CC1	ZINC000329643436	258143758	/nfs/dbraw/zinc/14/37/58/258143758.db2.gz	DBUAENGCWZEDMB-WMZHIEFXSA-N	0	0	373.456	2.947	10	30		FFEERN
COc1cccc(C=Nn2c(=O)cn[nH]c2=S)c1OCc1ccccc1	ZINC000103744246	222341831	/nfs/dbraw/zinc/34/18/31/222341831.db2.gz	XPGGJUFAHUCYGB-JMIUGGIZSA-N	0	0	368.418	2.771	10	30		FFEERN
CCN(CC)S(=O)(=O)c1ccc(N=NCc2ccco2)c([N+](=O)[O-])c1	ZINC000005019345	263338271	/nfs/dbraw/zinc/33/82/71/263338271.db2.gz	PPBFIBXANUPTRZ-LFIBNONCSA-N	0	0	366.399	2.664	10	30		FFEERN
COC(=O)c1cc(OC(F)F)c(I)cc1C#N	ZINC000575385938	518208537	/nfs/dbraw/zinc/20/85/37/518208537.db2.gz	HIKRPLVMDPZMLG-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
C[C@H]1CC(N=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC(C)(C)C1	ZINC000005019509	506416099	/nfs/dbraw/zinc/41/60/99/506416099.db2.gz	DTBSEVMQCAVQJL-SMBGSVLFSA-N	0	0	354.432	2.856	10	30		FFEERN
C/C(=N\NC(=S)NC[C@H]1CCCO1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005166357	506425222	/nfs/dbraw/zinc/42/52/22/506425222.db2.gz	WGLOZPWGTZTQEL-LBFZPMSMSA-N	0	0	356.835	2.615	10	30		FFEERN
N#Cc1cn2c3ccccc3nc2nc1NC(=O)c1ccc2c(c1)OCO2	ZINC000005286577	506434427	/nfs/dbraw/zinc/43/44/27/506434427.db2.gz	RMUXZZZBLYGXEK-UHFFFAOYSA-N	0	0	357.329	2.735	10	30		FFEERN
CC(C)[C@@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000043068042	506693642	/nfs/dbraw/zinc/69/36/42/506693642.db2.gz	CMVJEEBNDJDPLJ-CQSZACIVSA-N	0	0	354.458	2.602	10	30		FFEERN
CCOc1cc(CN=Nc2nncn2N)ccc1OCc1ccccc1F	ZINC000015228291	507025637	/nfs/dbraw/zinc/02/56/37/507025637.db2.gz	ZYRDHJSFUGWDQT-UHFFFAOYSA-N	0	0	370.388	2.555	10	30		FFEERN
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C)N1CCOCC1	ZINC000046264722	507107758	/nfs/dbraw/zinc/10/77/58/507107758.db2.gz	WUKDKMFTKLPYDL-CYBMUJFWSA-N	0	0	357.907	2.820	10	30		FFEERN
C[C@H](C#N)CN(C)C(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000068225953	507155595	/nfs/dbraw/zinc/15/55/95/507155595.db2.gz	DPURLQARARWETR-DDLCOGFTSA-N	0	0	357.498	2.812	10	30		FFEERN
C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1	ZINC000029780205	507790435	/nfs/dbraw/zinc/79/04/35/507790435.db2.gz	MGHOPQQBPDIERH-ZIAGYGMSSA-N	0	0	372.446	2.606	10	30		FFEERN
CCc1nc(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cs1	ZINC000107753068	507865900	/nfs/dbraw/zinc/86/59/00/507865900.db2.gz	IBLFXQXTQFLMQI-UHFFFAOYSA-N	0	0	373.457	2.748	10	30		FFEERN
N#C[C@@H](NC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)C1CC1	ZINC000108838182	507921100	/nfs/dbraw/zinc/92/11/00/507921100.db2.gz	LOHQOKLDAMECDS-QGZVFWFLSA-N	0	0	361.401	2.634	10	30		FFEERN
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)C2CC2)c1	ZINC000108836003	507921267	/nfs/dbraw/zinc/92/12/67/507921267.db2.gz	DAXFTLPHWXODPK-SFHVURJKSA-N	0	0	369.446	2.544	10	30		FFEERN
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1	ZINC000108843495	507921735	/nfs/dbraw/zinc/92/17/35/507921735.db2.gz	BFVHYMUDZHOSIZ-SFHVURJKSA-N	0	0	369.446	2.828	10	30		FFEERN
CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1	ZINC000091190059	507964260	/nfs/dbraw/zinc/96/42/60/507964260.db2.gz	RPIWNYQWWVHBKS-CYBMUJFWSA-N	0	0	367.453	2.888	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCCN(c2ccc(C)nn2)CC1	ZINC000109634206	507973389	/nfs/dbraw/zinc/97/33/89/507973389.db2.gz	UYGYVJKLUVWQQA-UHFFFAOYSA-N	0	0	352.438	2.702	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)CCc1nc(-c2ccncc2)no1	ZINC000110427137	508027437	/nfs/dbraw/zinc/02/74/37/508027437.db2.gz	ZOQYMCRGOUXHEF-UHFFFAOYSA-N	0	0	364.405	2.945	10	30		FFEERN
CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H]2CCCn3ccnc32)ccc1OC	ZINC000081729195	508207103	/nfs/dbraw/zinc/20/71/03/508207103.db2.gz	HGAXOQGQDRGGPY-HOTGVXAUSA-N	0	0	368.437	2.766	10	30		FFEERN
CCn1cc(CN2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)cn1	ZINC000112737866	508217652	/nfs/dbraw/zinc/21/76/52/508217652.db2.gz	UWAVFNWQRJELHP-UHFFFAOYSA-N	0	0	370.432	2.654	10	30		FFEERN
CCCC(=O)N[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000101564042	508247422	/nfs/dbraw/zinc/24/74/22/508247422.db2.gz	TXYBBJTTZUGLOJ-ROUUACIJSA-N	0	0	370.497	2.702	10	30		FFEERN
C[C@@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1F	ZINC000102634458	508280077	/nfs/dbraw/zinc/28/00/77/508280077.db2.gz	VUIFSYBYHGWWRU-HNNXBMFYSA-N	0	0	352.413	2.935	10	30		FFEERN
CCc1csc([C@H]2CCCN(S(=O)(=O)c3ccc(C#N)nc3)C2)n1	ZINC000113944657	508286934	/nfs/dbraw/zinc/28/69/34/508286934.db2.gz	XZMPBKQRAMPPSM-LBPRGKRZSA-N	0	0	362.480	2.540	10	30		FFEERN
CCCCCCCC(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1	ZINC000114146968	508296309	/nfs/dbraw/zinc/29/63/09/508296309.db2.gz	KGNNYKOWOLQGOH-UHFFFAOYSA-N	0	0	358.490	2.681	10	30		FFEERN
COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)CCCCC#N)c1	ZINC000104108383	508328119	/nfs/dbraw/zinc/32/81/19/508328119.db2.gz	BDPPIFLMTBBHMB-INIZCTEOSA-N	0	0	352.456	2.864	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)N[C@@H]2CCc3nc(CC)nn3C2)c1	ZINC000114906057	508357158	/nfs/dbraw/zinc/35/71/58/508357158.db2.gz	CMYMMCXXKSCXSL-OAHLLOKOSA-N	0	0	355.442	2.932	10	30		FFEERN
N#Cc1cccnc1N1CCN(C(=O)c2cc(-c3cccs3)on2)CC1	ZINC000105473150	508373261	/nfs/dbraw/zinc/37/32/61/508373261.db2.gz	AOLLJJNZZLVPSZ-UHFFFAOYSA-N	0	0	365.418	2.632	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2C)C1	ZINC000128477464	508598805	/nfs/dbraw/zinc/59/88/05/508598805.db2.gz	FQIMCRFYYVNNOS-MRXNPFEDSA-N	0	0	358.467	2.651	10	30		FFEERN
CCO[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C12CCCC2	ZINC000119100919	508725934	/nfs/dbraw/zinc/72/59/34/508725934.db2.gz	CZQIIPVFJJFFNJ-IRXDYDNUSA-N	0	0	373.428	2.832	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000151289445	508993494	/nfs/dbraw/zinc/99/34/94/508993494.db2.gz	LTVPXYGARXBHAB-DYESRHJHSA-N	0	0	372.465	2.879	10	30		FFEERN
C=CCc1ccc(OCC(=O)N2CCC(c3cc[nH]n3)CC2)c(OC)c1	ZINC000125606225	509005876	/nfs/dbraw/zinc/00/58/76/509005876.db2.gz	LXNRTVBYWSFHBJ-UHFFFAOYSA-N	0	0	355.438	2.932	10	30		FFEERN
N#Cc1ccc(NC(=O)CCN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1	ZINC000121431672	509173584	/nfs/dbraw/zinc/17/35/84/509173584.db2.gz	ABFWAIVJQPBGHH-VQIMIIECSA-N	0	0	371.387	2.973	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)C1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000191799995	509187930	/nfs/dbraw/zinc/18/79/30/509187930.db2.gz	JYQIXFWSGHKIDQ-UHFFFAOYSA-N	0	0	374.441	2.709	10	30		FFEERN
Cn1nccc1C1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000195503745	509198060	/nfs/dbraw/zinc/19/80/60/509198060.db2.gz	GLIZTHARJCIJQA-UHFFFAOYSA-N	0	0	357.845	2.763	10	30		FFEERN
N#Cc1ccsc1NC(=O)CN1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000195510965	509202716	/nfs/dbraw/zinc/20/27/16/509202716.db2.gz	HPZLNQCFXDFNJS-CQSZACIVSA-N	0	0	370.482	2.713	10	30		FFEERN
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(Cc2nccn2C)CC1	ZINC000162358800	509207272	/nfs/dbraw/zinc/20/72/72/509207272.db2.gz	MYXOOKCDXPCRRY-OAHLLOKOSA-N	0	0	352.438	2.540	10	30		FFEERN
CC(C)(C)OC(=O)N1CCC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C1CC1	ZINC000191932634	509250759	/nfs/dbraw/zinc/25/07/59/509250759.db2.gz	KQVWSZZOKPPYRH-OAHLLOKOSA-N	0	0	358.442	2.890	10	30		FFEERN
C=CCCO[C@H](C)C(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000248594735	509381662	/nfs/dbraw/zinc/38/16/62/509381662.db2.gz	MBKUMTATPNHHTO-UGUYLWEFSA-N	0	0	352.475	2.729	10	30		FFEERN
CC(C)(C)OC(=O)N1CC[C@@H](Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000185847882	509383271	/nfs/dbraw/zinc/38/32/71/509383271.db2.gz	DTPCWZATIDBPKO-CQSZACIVSA-N	0	0	354.414	2.560	10	30		FFEERN
CC(C)(C)OC(=O)N1CC[C@H](Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000185847863	509384152	/nfs/dbraw/zinc/38/41/52/509384152.db2.gz	DTPCWZATIDBPKO-AWEZNQCLSA-N	0	0	354.414	2.560	10	30		FFEERN
CC(C)c1nc([C@@H]2CCCN2CCS(=O)(=O)c2ccc(C#N)cc2)no1	ZINC000176222940	509387415	/nfs/dbraw/zinc/38/74/15/509387415.db2.gz	GPSOCCVCKFRSBY-INIZCTEOSA-N	0	0	374.466	2.675	10	30		FFEERN
CN1C(=O)CC[C@H](C(=O)Nc2ccc(C#N)c(C#N)c2)[C@H]1c1ccccc1	ZINC000173097569	509389963	/nfs/dbraw/zinc/38/99/63/509389963.db2.gz	WABYIVGRANJMTN-AZUAARDMSA-N	0	0	358.401	2.978	10	30		FFEERN
Cc1ccc(N(CCC#N)C(=O)CN2CCCC[C@H]2c2nc[nH]n2)cc1C	ZINC000182757962	509413005	/nfs/dbraw/zinc/41/30/05/509413005.db2.gz	YPLNQTHYYNHBBC-SFHVURJKSA-N	0	0	366.469	2.895	10	30		FFEERN
Cn1cc([C@@H]2CCCN2CC(=O)Nc2ccccc2SCC#N)cn1	ZINC000173318402	509528335	/nfs/dbraw/zinc/52/83/35/509528335.db2.gz	NVZBEHFPXPRPDO-INIZCTEOSA-N	0	0	355.467	2.811	10	30		FFEERN
Cn1cc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccc(C#N)o2)cn1	ZINC000183265218	509688765	/nfs/dbraw/zinc/68/87/65/509688765.db2.gz	GHZOMELHSWPVRP-KRWDZBQOSA-N	0	0	371.441	2.679	10	30		FFEERN
CCCCN1C(=O)CC[C@H](C(=O)N[C@H](C)C#N)[C@H]1c1ccccc1OC	ZINC000249723858	509742534	/nfs/dbraw/zinc/74/25/34/509742534.db2.gz	FJGXSNUHBCDPJO-SIXWZSSISA-N	0	0	357.454	2.803	10	30		FFEERN
N#CCSc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1	ZINC000176950239	509782268	/nfs/dbraw/zinc/78/22/68/509782268.db2.gz	YPMDGSYPHKTJRV-MRXNPFEDSA-N	0	0	372.471	2.951	10	30		FFEERN
N#Cc1cccc(CS(=O)(=O)N2CCC(Cc3ccccn3)CC2)c1	ZINC000170990623	509878386	/nfs/dbraw/zinc/87/83/86/509878386.db2.gz	IODQKRABTUUNPN-UHFFFAOYSA-N	0	0	355.463	2.738	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1C[C@H](OC)C[C@H]1c1nc(C)no1	ZINC000190131319	509955860	/nfs/dbraw/zinc/95/58/60/509955860.db2.gz	RRAIPKZDCCAFOK-HIFRSBDPSA-N	0	0	374.372	2.523	10	30		FFEERN
C=CCOc1cccc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1	ZINC000190134849	509957528	/nfs/dbraw/zinc/95/75/28/509957528.db2.gz	DQIQZWBUSVPCOC-KRWDZBQOSA-N	0	0	354.410	2.667	10	30		FFEERN
Cc1sc(NC(=O)CN(C)[C@@H](C)C(=O)OC(C)(C)C)c(C#N)c1C	ZINC000177367765	510016848	/nfs/dbraw/zinc/01/68/48/510016848.db2.gz	QGHMCZUHGHZSIQ-NSHDSACASA-N	0	0	351.472	2.837	10	30		FFEERN
C=C(C)[C@@H](NC(=O)NC[C@@H](C)N1CCOCC1)c1ccc(F)c(F)c1	ZINC000187333441	510201536	/nfs/dbraw/zinc/20/15/36/510201536.db2.gz	AEPKJFYGUNWRMR-CXAGYDPISA-N	0	0	353.413	2.602	10	30		FFEERN
Cc1cc(C)c(C#N)c(N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)n1	ZINC000174740807	510284886	/nfs/dbraw/zinc/28/48/86/510284886.db2.gz	QDKOVBFWZOVZBX-UHFFFAOYSA-N	0	0	352.486	2.844	10	30		FFEERN
N#Cc1ccc(C2(C(=O)N[C@H]3CCS(=O)(=O)c4ccccc43)CC2)cc1	ZINC000187578428	510337388	/nfs/dbraw/zinc/33/73/88/510337388.db2.gz	WWSATPSYASNTOL-KRWDZBQOSA-N	0	0	366.442	2.625	10	30		FFEERN
N#CCOc1ccc(CNC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1	ZINC000171780502	510366079	/nfs/dbraw/zinc/36/60/79/510366079.db2.gz	XMUBNTYSNFDNBQ-GOSISDBHSA-N	0	0	350.422	2.985	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(C(=O)NCc3ccc(OCC#N)cc3)C2)c1	ZINC000171906929	510445248	/nfs/dbraw/zinc/44/52/48/510445248.db2.gz	KOYXNTCPVGZOMM-QGZVFWFLSA-N	0	0	353.426	2.641	10	30		FFEERN
COc1cc(OC)cc([C@@H]2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C2)c1	ZINC000246452925	510496319	/nfs/dbraw/zinc/49/63/19/510496319.db2.gz	MWLRGESPRSQMHK-QRWLVFNGSA-N	0	0	359.470	2.548	10	30		FFEERN
CN1CCO[C@@H](CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C1	ZINC000175478780	510659188	/nfs/dbraw/zinc/65/91/88/510659188.db2.gz	SVPMQXJCUHGFOO-KRWDZBQOSA-N	0	0	367.474	2.770	10	30		FFEERN
CNC(=O)[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(C)C	ZINC000178697370	510726364	/nfs/dbraw/zinc/72/63/64/510726364.db2.gz	CYPYOPSHIITDOA-LJQANCHMSA-N	0	0	365.433	2.638	10	30		FFEERN
Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1	ZINC000263620988	510761637	/nfs/dbraw/zinc/76/16/37/510761637.db2.gz	RPSZSAKYXPWBRR-UHFFFAOYSA-N	0	0	368.466	2.822	10	30	in-vitro	FFEERN
C[C@H]1CN([C@@H](CNC(=O)c2ccc(C#N)c(O)c2)c2cccs2)CCO1	ZINC000188612488	510842675	/nfs/dbraw/zinc/84/26/75/510842675.db2.gz	MXYFKLYOXPWRJF-BBRMVZONSA-N	0	0	371.462	2.517	10	30		FFEERN
N#Cc1ccc(CNC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1	ZINC000182320243	510849777	/nfs/dbraw/zinc/84/97/77/510849777.db2.gz	JVBOBNCSQVMOSJ-QGZVFWFLSA-N	0	0	364.453	2.923	10	30		FFEERN
N#Cc1ccc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1	ZINC000247655974	510867938	/nfs/dbraw/zinc/86/79/38/510867938.db2.gz	PEQWNVYHYNTXDF-UHFFFAOYSA-N	0	0	353.447	2.788	10	30		FFEERN
Cn1ccnc1[C@H]1CN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCN1C	ZINC000329985509	510893490	/nfs/dbraw/zinc/89/34/90/510893490.db2.gz	DIOIPVNBDFZXSJ-BFHYXJOUSA-N	0	0	373.423	2.744	10	30		FFEERN
C[C@@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C	ZINC000330075139	510911392	/nfs/dbraw/zinc/91/13/92/510911392.db2.gz	LQPDDQZLRROOOE-IDHHARJASA-N	0	0	354.454	2.905	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)c3snnc3C(C)(C)C)C2)nn1	ZINC000330294968	510959583	/nfs/dbraw/zinc/95/95/83/510959583.db2.gz	FLQAXBZXBDXVKV-LBPRGKRZSA-N	0	0	360.487	2.908	10	30		FFEERN
N#Cc1c[nH]c(C(=O)N2CCC[C@H]2C(=O)N2CCC[C@@H]2C2CCCC2)c1	ZINC000361235286	511018847	/nfs/dbraw/zinc/01/88/47/511018847.db2.gz	ZQNVMSZZEPJUFF-MSOLQXFVSA-N	0	0	354.454	2.672	10	30		FFEERN
N#Cc1c(F)c(I)ccc1I	ZINC000307022600	511765382	/nfs/dbraw/zinc/76/53/82/511765382.db2.gz	FCNDGMFVZQTHDR-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
Cc1n[nH]cc1C[NH+]=C([O-])N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000328616661	511893215	/nfs/dbraw/zinc/89/32/15/511893215.db2.gz	BYUGWURHXBNZDN-NSHDSACASA-N	0	0	370.379	2.542	10	30		FFEERN
Cc1noc([C@@H](NCc2ccc(O[C@H](C)C#N)cc2)C2CCOCC2)n1	ZINC000328619482	511894956	/nfs/dbraw/zinc/89/49/56/511894956.db2.gz	FVWWDSVMOFYINJ-ACJLOTCBSA-N	0	0	356.426	2.926	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CN(Cc3ccccc3)CCO1)CCC2	ZINC000328662730	511912994	/nfs/dbraw/zinc/91/29/94/511912994.db2.gz	XNLGVXREHSIMDG-RBUKOAKNSA-N	0	0	368.481	2.926	10	30		FFEERN
C[C@H](NC(=O)N[C@H]1CCC(=O)NC12CCC2)c1ccc(-n2ccnn2)cc1	ZINC000328712637	511919603	/nfs/dbraw/zinc/91/96/03/511919603.db2.gz	BQHMTUINQFKFFT-BBRMVZONSA-N	0	0	368.441	2.874	10	30		FFEERN
COc1cc2c(cc1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)O[C@H](C)C2	ZINC000328846427	511940444	/nfs/dbraw/zinc/94/04/44/511940444.db2.gz	ALLDYKZCVNVMLE-PRIMNGNOSA-N	0	0	373.453	2.920	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1	ZINC000328886922	511945905	/nfs/dbraw/zinc/94/59/05/511945905.db2.gz	OHLQKKLSZFKHOB-BRWVUGGUSA-N	0	0	352.381	2.820	10	30		FFEERN
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1	ZINC000328889713	511946864	/nfs/dbraw/zinc/94/68/64/511946864.db2.gz	RBBSJNVEJFCZQU-BBWFWOEESA-N	0	0	361.486	2.920	10	30		FFEERN
C[C@H](NC(=O)N[C@H]1CCO[C@@H]1c1cccnc1)[C@@H]1COc2ccccc21	ZINC000329083115	511979397	/nfs/dbraw/zinc/97/93/97/511979397.db2.gz	SJMQSEIUOVVAFU-LZLXCTOHSA-N	0	0	353.422	2.980	10	30		FFEERN
Cc1noc([C@H]([NH+]=C([O-])N[C@H]2CCc3ccccc3C2)C2CCOCC2)n1	ZINC000329142700	511992546	/nfs/dbraw/zinc/99/25/46/511992546.db2.gz	VDRPOTXSGPWNIM-ZWKOTPCHSA-N	0	0	370.453	2.907	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1c1nccs1	ZINC000329203976	512003421	/nfs/dbraw/zinc/00/34/21/512003421.db2.gz	WNPMKLYLHKNOQG-AEGPPILISA-N	0	0	361.471	2.580	10	30		FFEERN
N#Cc1cccc(CNC(=O)CN2CC(=O)Nc3cccc4c3[C@@H]2CCC4)c1	ZINC000366444436	512027909	/nfs/dbraw/zinc/02/79/09/512027909.db2.gz	RNCJFYVKBVGFDT-IBGZPJMESA-N	0	0	374.444	2.506	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)C1	ZINC000329465744	512053409	/nfs/dbraw/zinc/05/34/09/512053409.db2.gz	VRJVCBKKGNZWAH-BDXSIMOUSA-N	0	0	365.518	2.827	10	30		FFEERN
CS(=O)(=O)C1(CNC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1	ZINC000329474811	512054888	/nfs/dbraw/zinc/05/48/88/512054888.db2.gz	OVYWQOMHBJJACL-UHFFFAOYSA-N	0	0	354.516	2.672	10	30		FFEERN
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)N[C@H]2COC[C@H]2n2ccnn2)cc1	ZINC000329511187	512060966	/nfs/dbraw/zinc/06/09/66/512060966.db2.gz	MZAAYUYLFQUJGD-LULLPPNCSA-N	0	0	369.469	2.914	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1	ZINC000329600971	512075329	/nfs/dbraw/zinc/07/53/29/512075329.db2.gz	KJBLRUWEMQXWQQ-FZKCQIBNSA-N	0	0	362.474	2.536	10	30		FFEERN
O=C(N[C@H]1CCCCC12CCCC2)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000329757764	512093692	/nfs/dbraw/zinc/09/36/92/512093692.db2.gz	ZOWJANXLWLWPMV-BBWFWOEESA-N	0	0	364.486	2.852	10	30		FFEERN
C[C@@H]1CN(Cc2ccccc2CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C)O1	ZINC000329781708	512097003	/nfs/dbraw/zinc/09/70/03/512097003.db2.gz	TUAGPYBWNVKZJV-SMOSDQRPSA-N	0	0	373.497	2.573	10	30		FFEERN
N#Cc1c(C#N)c(N2CCC[C@@]3(CNC(=O)C3)C2)nc2c1CCCCCC2	ZINC000408330569	513045017	/nfs/dbraw/zinc/04/50/17/513045017.db2.gz	NJVMPRKSUSZMSX-OAQYLSRUSA-N	0	0	363.465	2.590	10	30		FFEERN
COC(=O)c1c(C#N)ccc(I)c1OC(F)F	ZINC000575386097	518208982	/nfs/dbraw/zinc/20/89/82/518208982.db2.gz	LBPGTZQRKYQWTH-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
N#CCc1c(OC(F)F)cc(I)cc1[N+](=O)[O-]	ZINC000575668132	518245580	/nfs/dbraw/zinc/24/55/80/518245580.db2.gz	VQVTYNTVWIEUHM-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
C=CCn1c(=S)n(CN2CCO[C@H](c3nccs3)C2)nc1C1CC1	ZINC000152257759	728754365	/nfs/dbraw/zinc/75/43/65/728754365.db2.gz	HUIOUPJZGCYLAD-ZDUSSCGKSA-N	0	0	363.512	2.965	10	30		FFEERN
COC(=O)[C@H]1C[C@@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000157737946	728876391	/nfs/dbraw/zinc/87/63/91/728876391.db2.gz	YAFWINUQJQQVEQ-WHFBIAKZSA-N	0	0	358.181	2.510	10	30		FFEERN
C=C(C)[C@H]1CCC(C)=C(N=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1	ZINC000007852950	727799212	/nfs/dbraw/zinc/79/92/12/727799212.db2.gz	LOUFIRFOUNKWLC-LBPRGKRZSA-N	0	0	364.427	2.943	10	30		FFEERN
C[C@H](Oc1ccccc1C#N)C(=O)OCc1nccn1CC(F)(F)F	ZINC000103219233	728495366	/nfs/dbraw/zinc/49/53/66/728495366.db2.gz	NSDQOAWPNHUJSX-NSHDSACASA-N	0	0	353.300	2.828	10	30		FFEERN
CC(C)(C)c1nn(CN2CCN(c3ncccc3C#N)CC2)c(=S)o1	ZINC000108221968	728520451	/nfs/dbraw/zinc/52/04/51/728520451.db2.gz	MSHRGWIWPVQAEY-UHFFFAOYSA-N	0	0	358.471	2.549	10	30		FFEERN
C#CCCCNC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000175287157	729092709	/nfs/dbraw/zinc/09/27/09/729092709.db2.gz	PANDWYKHFOIWCT-SECBINFHSA-N	0	0	353.205	2.508	10	30		FFEERN
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N(CCC#N)CC(F)(F)F)C1	ZINC000177626680	729140837	/nfs/dbraw/zinc/14/08/37/729140837.db2.gz	STBIOYYLRBPBST-NEPJUHHUSA-N	0	0	363.380	2.984	10	30		FFEERN
CCCCCCCS(=O)(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000195262644	729534074	/nfs/dbraw/zinc/53/40/74/729534074.db2.gz	UVBQMJIMSXKHAQ-QGZVFWFLSA-N	0	0	356.536	2.907	10	30		FFEERN
C=CCn1c(C(=O)N2CCN(CC)CC2)cc2oc(Br)cc21	ZINC000223725644	729547216	/nfs/dbraw/zinc/54/72/16/729547216.db2.gz	JOYMRSFOFFAVQJ-UHFFFAOYSA-N	0	0	366.259	2.961	10	30		FFEERN
CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1	ZINC000329196342	729796744	/nfs/dbraw/zinc/79/67/44/729796744.db2.gz	VVFRMWSWZCOTMA-MRXNPFEDSA-N	0	0	350.484	2.553	10	30		FFEERN
Cc1nc([C@H](C)NC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cs1	ZINC000330072533	729799780	/nfs/dbraw/zinc/79/97/80/729799780.db2.gz	ZDCZFKGMHOTXFB-VIFPVBQESA-N	0	0	351.453	2.868	10	30		FFEERN
C#CCN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1	ZINC000108785609	971629953	/nfs/dbraw/zinc/62/99/53/971629953.db2.gz	KHLZVZDZUJBYAN-XUVXKRRUSA-N	0	0	367.470	2.592	10	30		FFEERN
C[C@@H]1CN(Cc2ccccc2NC(=O)N[C@@H]2CCCNC2=O)C[C@@H](C)O1	ZINC000328700529	962209685	/nfs/dbraw/zinc/20/96/85/962209685.db2.gz	WGNWXACIWRGTLL-CKEIUWERSA-N	0	0	360.458	2.550	10	30		FFEERN
O=C(N[C@H]1CCCN(c2ccccc2)C1)N1CCn2c(nnc2C2CC2)C1	ZINC000329319588	967641550	/nfs/dbraw/zinc/64/15/50/967641550.db2.gz	GDCJBYSLMBKDNY-INIZCTEOSA-N	0	0	366.469	2.554	10	30		FFEERN
CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1	ZINC000329462453	967731076	/nfs/dbraw/zinc/73/10/76/967731076.db2.gz	QCQIJQVPKWNIPZ-ZIAGYGMSSA-N	0	0	361.490	2.708	10	30		FFEERN
CC1(C)NC(=O)N(c2cccc(NC(=O)N[C@H]3CCC[C@@H]3C#N)c2)C1=O	ZINC000329634255	967898993	/nfs/dbraw/zinc/89/89/93/967898993.db2.gz	SZOGHBNAHZTFSP-RISCZKNCSA-N	0	0	355.398	2.553	10	30		FFEERN
Cn1ccnc1[C@@H]1CN(C(=O)NC2CCC(C(F)(F)F)CC2)CCN1C	ZINC000329998016	969690406	/nfs/dbraw/zinc/69/04/06/969690406.db2.gz	ROLMMJHATAJPDD-RUXDESIVSA-N	0	0	373.423	2.744	10	30		FFEERN
C=CCO[C@@H]1[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H](OC)[C@H]1OCC=C	ZINC000255971998	222997836	/nfs/dbraw/zinc/99/78/36/222997836.db2.gz	FMKYMGOFTWEBLP-QONVVCGCSA-N	0	0	362.422	2.614	10	30		FFEERN
N#Cc1ccc2ncc(CN3CCCN(C(=O)c4cccs4)CC3)n2c1	ZINC000093385778	250031861	/nfs/dbraw/zinc/03/18/61/250031861.db2.gz	CUJVIONAIGWAGG-UHFFFAOYSA-N	0	0	365.462	2.616	10	30		FFEERN
Cc1oc(NC(=O)[C@@H](C)N2CCC(Cc3nccn3C)CC2)c(C#N)c1C	ZINC000106164308	250247246	/nfs/dbraw/zinc/24/72/46/250247246.db2.gz	XUUBENXYYDVXBS-CQSZACIVSA-N	0	0	369.469	2.783	10	30		FFEERN
Cc1cnn([C@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3C#N)C2)c1	ZINC000106222657	250259131	/nfs/dbraw/zinc/25/91/31/250259131.db2.gz	LWIOSJAQCJZAJL-INIZCTEOSA-N	0	0	357.845	2.992	10	30		FFEERN
CC(C)c1nc([C@@H]2CCCN2CCS(=O)(=O)c2cccc(C#N)c2)no1	ZINC000128556537	250765240	/nfs/dbraw/zinc/76/52/40/250765240.db2.gz	CTVZYPAUZPSTAG-INIZCTEOSA-N	0	0	374.466	2.675	10	30		FFEERN
CNS(=O)(=O)c1ccccc1CNc1c(C#N)cnc2ccccc21	ZINC000301401440	258047562	/nfs/dbraw/zinc/04/75/62/258047562.db2.gz	QIHRLWZNKIRJBY-UHFFFAOYSA-N	0	0	352.419	2.627	10	30		FFEERN
N#CCc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1	ZINC000105536581	222370782	/nfs/dbraw/zinc/37/07/82/222370782.db2.gz	LFTFEPDLJLKTGI-KRWDZBQOSA-N	0	0	351.431	2.906	10	30		FFEERN
N#Cc1ccc(NC(=O)NCc2cccnc2-n2cncn2)cc1Cl	ZINC000107526006	222395549	/nfs/dbraw/zinc/39/55/49/222395549.db2.gz	USFPISQKKNWCSB-UHFFFAOYSA-N	0	0	353.773	2.509	10	30		FFEERN
COC(=O)c1cc(C#N)cc(I)c1OC(F)(F)F	ZINC000575392094	518209540	/nfs/dbraw/zinc/20/95/40/518209540.db2.gz	CALUYRTXJVSVHV-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
N#Cc1cc(Br)cc([N+](=O)[O-])c1I	ZINC000575692340	518249185	/nfs/dbraw/zinc/24/91/85/518249185.db2.gz	NSYGPQFTRAQCOB-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
COc1ccccc1C(=O)N[C@@H](C(=O)NCC#Cc1ccccc1)C(C)C	ZINC000055316328	506725141	/nfs/dbraw/zinc/72/51/41/506725141.db2.gz	PWGZXUFZSIHLGQ-HXUWFJFHSA-N	0	0	364.445	2.618	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc2C1=O	ZINC000010286197	506736237	/nfs/dbraw/zinc/73/62/37/506736237.db2.gz	VWVMBVJLWCXSJG-LBPRGKRZSA-N	0	0	366.339	2.883	10	30		FFEERN
N#Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1	ZINC000010629434	506747810	/nfs/dbraw/zinc/74/78/10/506747810.db2.gz	CRKIVRABLAVDNQ-KRWDZBQOSA-N	0	0	352.419	2.960	10	30		FFEERN
Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2)C(=O)NCC#N)c1	ZINC000013470925	506943611	/nfs/dbraw/zinc/94/36/11/506943611.db2.gz	SQEXGQOWKQRVTR-KRWDZBQOSA-N	0	0	355.825	2.629	10	30		FFEERN
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)ccc1Cl	ZINC000048765790	507562397	/nfs/dbraw/zinc/56/23/97/507562397.db2.gz	OUFKGKDQMHHKSY-OAHLLOKOSA-N	0	0	355.781	2.790	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)Cc1cccc(C#N)c1	ZINC000108400601	507893005	/nfs/dbraw/zinc/89/30/05/507893005.db2.gz	UBLWGPKPQIUXAV-KRWDZBQOSA-N	0	0	358.467	2.576	10	30		FFEERN
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1	ZINC000108838425	507921079	/nfs/dbraw/zinc/92/10/79/507921079.db2.gz	MRUCFJKBZOOECG-SFHVURJKSA-N	0	0	369.446	2.544	10	30		FFEERN
N#C[C@H](NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)C1CC1	ZINC000108831504	507921200	/nfs/dbraw/zinc/92/12/00/507921200.db2.gz	MFQLGKJITFWCGY-LBPRGKRZSA-N	0	0	370.459	2.605	10	30		FFEERN
N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@H]1CCc2ncnn2C1	ZINC000108948165	507927471	/nfs/dbraw/zinc/92/74/71/507927471.db2.gz	ISVXEZGDIJSAFZ-NSHDSACASA-N	0	0	356.336	2.726	10	30		FFEERN
CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(C#N)cn3)CC2=O)cc1	ZINC000110285067	508018759	/nfs/dbraw/zinc/01/87/59/508018759.db2.gz	RROKFYGXWHATFO-ZDUSSCGKSA-N	0	0	352.419	2.667	10	30		FFEERN
C#CCOc1ccc(F)cc1NCc1c(C)nn(CCC(=O)OC)c1C	ZINC000092136203	508046001	/nfs/dbraw/zinc/04/60/01/508046001.db2.gz	ZRFWDRPJMSWKLX-UHFFFAOYSA-N	0	0	359.401	2.826	10	30		FFEERN
Cc1c([C@H](C)NS(=O)(=O)CCCC#N)cnn1-c1ccc(F)cc1	ZINC000111327473	508090840	/nfs/dbraw/zinc/09/08/40/508090840.db2.gz	IXVHPKOARYJBLD-LBPRGKRZSA-N	0	0	350.419	2.604	10	30		FFEERN
COC(=O)[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1	ZINC000083029510	508233653	/nfs/dbraw/zinc/23/36/53/508233653.db2.gz	YWKCOVGBAOYJMN-DJJJIMSYSA-N	0	0	352.390	2.894	10	30		FFEERN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)nnn2C	ZINC000103779211	508321968	/nfs/dbraw/zinc/32/19/68/508321968.db2.gz	HCAWJDSAVGVPHC-UHFFFAOYSA-N	0	0	351.366	2.705	10	30		FFEERN
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCc2nc(CC)nn2C1	ZINC000114977370	508364067	/nfs/dbraw/zinc/36/40/67/508364067.db2.gz	FSMKYXISWYHXNA-INIZCTEOSA-N	0	0	369.469	2.562	10	30		FFEERN
C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	ZINC000077747339	508365129	/nfs/dbraw/zinc/36/51/29/508365129.db2.gz	AFJCRVQXPOZNDX-IFXJQAMLSA-N	0	0	363.417	2.795	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)cc1	ZINC000115388364	508390368	/nfs/dbraw/zinc/39/03/68/508390368.db2.gz	OVLNUYLKCBXEAI-UHFFFAOYSA-N	0	0	368.481	2.560	10	30		FFEERN
C=CCSc1ccccc1NC(=O)CN1CCO[C@H](Cn2cccn2)C1	ZINC000106192453	508397581	/nfs/dbraw/zinc/39/75/81/508397581.db2.gz	WPXUIBHEQGFTTO-INIZCTEOSA-N	0	0	372.494	2.501	10	30		FFEERN
C=CCc1cc(CN2CCO[C@H](Cn3cc(C)cn3)C2)cc(OC)c1O	ZINC000122398601	508528796	/nfs/dbraw/zinc/52/87/96/508528796.db2.gz	UGQPUFBIHMXEHA-SFHVURJKSA-N	0	0	357.454	2.535	10	30		FFEERN
COCCN1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C	ZINC000117448793	508599905	/nfs/dbraw/zinc/59/99/05/508599905.db2.gz	ZTXVQSGEZTVWLD-HNNXBMFYSA-N	0	0	360.458	2.530	10	30		FFEERN
C=CCOc1ccc(CN2CCO[C@@H](c3nnc(CC)[nH]3)C2)cc1OC	ZINC000129117209	508686115	/nfs/dbraw/zinc/68/61/15/508686115.db2.gz	JPLZJECNEWFSBA-QGZVFWFLSA-N	0	0	358.442	2.514	10	30		FFEERN
Cc1ccc([C@H]2CN([C@@H]3CCN(c4sccc4C#N)C3=O)CCO2)o1	ZINC000158916005	508768291	/nfs/dbraw/zinc/76/82/91/508768291.db2.gz	BVWQPTDZLBFOPT-GDBMZVCRSA-N	0	0	357.435	2.700	10	30		FFEERN
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)o2)cc1	ZINC000119392817	508786787	/nfs/dbraw/zinc/78/67/87/508786787.db2.gz	YUAFAYWCDGZCAB-CYBMUJFWSA-N	0	0	370.409	2.711	10	30		FFEERN
Cc1ccc(C(=O)N[C@H](C)C#N)cc1S(=O)(=O)Nc1ccc(F)cc1	ZINC000150827989	508902034	/nfs/dbraw/zinc/90/20/34/508902034.db2.gz	IJLPQSWJIDWWCI-GFCCVEGCSA-N	0	0	361.398	2.577	10	30		FFEERN
COC(=O)C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccccc1	ZINC000131658353	508957844	/nfs/dbraw/zinc/95/78/44/508957844.db2.gz	GUMOPCUATFQFDL-SFHVURJKSA-N	0	0	352.390	2.552	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N2CCC(Nc3ccccc3F)CC2)cc1	ZINC000160633033	509012458	/nfs/dbraw/zinc/01/24/58/509012458.db2.gz	XGDWEFXMQVBIMA-UHFFFAOYSA-N	0	0	366.396	2.739	10	30		FFEERN
C=C(C)[C@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccc(F)c(F)c1	ZINC000185454065	509184623	/nfs/dbraw/zinc/18/46/23/509184623.db2.gz	JNRJTQYSEOSLNP-QAPCUYQASA-N	0	0	365.424	2.698	10	30		FFEERN
Cc1noc([C@H]2COCCN2Cc2cc(C#N)ccc2Br)n1	ZINC000191823900	509199669	/nfs/dbraw/zinc/19/96/69/509199669.db2.gz	KRLDEIIZHTVEMM-CQSZACIVSA-N	0	0	363.215	2.586	10	30		FFEERN
CCOC(=O)c1ccc2c(c1)c(I)c(C#N)n2C	ZINC000215762085	509251421	/nfs/dbraw/zinc/25/14/21/509251421.db2.gz	KTPHPVFEMQVYCB-UHFFFAOYSA-N	0	0	354.147	2.831	10	30		FFEERN
Cn1cc(C#N)cc1C(=O)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1	ZINC000191934515	509252762	/nfs/dbraw/zinc/25/27/62/509252762.db2.gz	XVRLYHXSNNMZCU-MRXNPFEDSA-N	0	0	372.469	2.901	10	30		FFEERN
C=CC[C@H](CO)NC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1	ZINC000248591931	509379601	/nfs/dbraw/zinc/37/96/01/509379601.db2.gz	HGFWKQWEKRZCAQ-SUMDDJOVSA-N	0	0	362.470	2.548	10	30		FFEERN
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1c1cnn(C)c1	ZINC000173320052	509529992	/nfs/dbraw/zinc/52/99/92/509529992.db2.gz	WDVFUOJYRBETNT-QFBILLFUSA-N	0	0	351.454	2.892	10	30		FFEERN
C[C@H](C(=O)OC(C)(C)C)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192611479	509566103	/nfs/dbraw/zinc/56/61/03/509566103.db2.gz	VPHVYHSJNYUOOV-RHSMWYFYSA-N	0	0	357.454	2.716	10	30		FFEERN
C=CCCO[C@H](C)C(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000183262671	509685052	/nfs/dbraw/zinc/68/50/52/509685052.db2.gz	MBKUMTATPNHHTO-QXSJWSMHSA-N	0	0	352.475	2.729	10	30		FFEERN
COC(=O)[C@@]1(C)CCCN1CC(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000186403967	509692305	/nfs/dbraw/zinc/69/23/05/509692305.db2.gz	ZDPAJRSUTYAHSN-HXUWFJFHSA-N	0	0	357.454	2.578	10	30		FFEERN
C[C@H](C#N)Oc1ccccc1NC(=O)NC1CCN(c2ncccn2)CC1	ZINC000180042908	509722756	/nfs/dbraw/zinc/72/27/56/509722756.db2.gz	PHLMMHGGCSACRC-CQSZACIVSA-N	0	0	366.425	2.558	10	30		FFEERN
CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C	ZINC000189791629	509754921	/nfs/dbraw/zinc/75/49/21/509754921.db2.gz	LTMXMNGQRVVERP-JKSUJKDBSA-N	0	0	361.417	2.864	10	30		FFEERN
CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2C#N)C1	ZINC000177094868	509868174	/nfs/dbraw/zinc/86/81/74/509868174.db2.gz	PMHBJPWCCSAYNJ-AWEZNQCLSA-N	0	0	372.498	2.666	10	30		FFEERN
Cc1cc(N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)n[nH]1	ZINC000190013363	509885257	/nfs/dbraw/zinc/88/52/57/509885257.db2.gz	URIGWKHZCGGSMF-KRWDZBQOSA-N	0	0	352.442	2.595	10	30		FFEERN
Cc1cc(N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)n[nH]1	ZINC000190013383	509885274	/nfs/dbraw/zinc/88/52/74/509885274.db2.gz	URIGWKHZCGGSMF-QGZVFWFLSA-N	0	0	352.442	2.595	10	30		FFEERN
Cc1ccc([C@H](CNC(=O)c2cccc(F)c2C#N)N2CCOCC2)s1	ZINC000190085316	509930516	/nfs/dbraw/zinc/93/05/16/509930516.db2.gz	ISJIIWKZBXRLCA-KRWDZBQOSA-N	0	0	373.453	2.871	10	30		FFEERN
C=CC[C@]1(C(=O)NC2CCC(O)CC2)CCCN1C(=O)OC(C)(C)C	ZINC000190402390	510110339	/nfs/dbraw/zinc/11/03/39/510110339.db2.gz	CNXFPOYXOIPIIU-JFIBYHEFSA-N	0	0	352.475	2.752	10	30		FFEERN
CN1c2ccccc2N(C)C1=C1C(=O)CN([C@@H]2CCC[C@H]3OCC[C@H]32)C1=N	ZINC000245764689	510137018	/nfs/dbraw/zinc/13/70/18/510137018.db2.gz	IYNCKUMVMXXBCY-PMUMKWKESA-N	0	0	366.465	2.604	10	30		FFEERN
Cc1cc(C(C)C)nc(N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)n1	ZINC000184129932	510150597	/nfs/dbraw/zinc/15/05/97/510150597.db2.gz	IZULBKOTPOVAAS-UHFFFAOYSA-N	0	0	363.465	2.671	10	30		FFEERN
Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)C#Cc2ccccc2)C1	ZINC000190548569	510197835	/nfs/dbraw/zinc/19/78/35/510197835.db2.gz	COYUSKJASDHBCJ-SFHVURJKSA-N	0	0	353.491	2.784	10	30		FFEERN
C[C@@H]1CN([C@H](CNC(=O)c2cc(C#N)cs2)c2cccs2)CCO1	ZINC000246100785	510292859	/nfs/dbraw/zinc/29/28/59/510292859.db2.gz	IKLYIZDUNCEZKM-TZMCWYRMSA-N	0	0	361.492	2.873	10	30		FFEERN
N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1	ZINC000177989382	510361950	/nfs/dbraw/zinc/36/19/50/510361950.db2.gz	WXGVAZGZJPURSE-CZUORRHYSA-N	0	0	354.859	2.527	10	30		FFEERN
CCOc1cc(C)nc(N2CCN([C@@H](C)c3cccc(C#N)c3)CC2)n1	ZINC000187683578	510384768	/nfs/dbraw/zinc/38/47/68/510384768.db2.gz	JVYPFJIUGWENMH-INIZCTEOSA-N	0	0	351.454	2.939	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1C(F)(F)F	ZINC000246461916	510502126	/nfs/dbraw/zinc/50/21/26/510502126.db2.gz	NNFIFFUCFGYARD-HUUCEWRRSA-N	0	0	374.384	2.909	10	30		FFEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)CC2	ZINC000181736290	510566606	/nfs/dbraw/zinc/56/66/06/510566606.db2.gz	WIPLHHTXVIFEFQ-AWEZNQCLSA-N	0	0	369.473	2.966	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1COc2ccccc21	ZINC000194878460	510570915	/nfs/dbraw/zinc/57/09/15/510570915.db2.gz	ITHHYGNPQHGMAK-INIZCTEOSA-N	0	0	352.390	2.976	10	30		FFEERN
COc1ccnc(N2CCC(C(=O)O[C@@H](C)c3ccc(C#N)cc3)CC2)n1	ZINC000175799799	510797048	/nfs/dbraw/zinc/79/70/48/510797048.db2.gz	CYRMKYARSSAURF-AWEZNQCLSA-N	0	0	366.421	2.878	10	30		FFEERN
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1	ZINC000329976896	510891512	/nfs/dbraw/zinc/89/15/12/510891512.db2.gz	FTCVMMUORTXRMS-NUXNZHGMSA-N	0	0	372.400	2.578	10	30		FFEERN
CN1C[C@H](CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)Cc2ccccc21	ZINC000329998510	510897543	/nfs/dbraw/zinc/89/75/43/510897543.db2.gz	SKEPHYLOYMDQGO-YJBOKZPZSA-N	0	0	355.482	2.900	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@@H]2CCCCS2)CC(=O)N1C	ZINC000330132955	510921730	/nfs/dbraw/zinc/92/17/30/510921730.db2.gz	LSMRQNADCUMNON-DVOMOZLQSA-N	0	0	350.488	2.551	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cc(F)cc(N2CCOCC2)c1	ZINC000330169875	510929706	/nfs/dbraw/zinc/92/97/06/510929706.db2.gz	WTFRRUSTXGUUAJ-SJLPKXTDSA-N	0	0	374.416	2.762	10	30		FFEERN
Cn1nccc1[C@H]1[C@@H](C(=O)N[C@@H]2CCc3c2cccc3F)CC(=O)N1C	ZINC000330253292	510948365	/nfs/dbraw/zinc/94/83/65/510948365.db2.gz	OTCYYAASYGJCQV-JCKWVBRZSA-N	0	0	356.401	2.723	10	30		FFEERN
O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N1CC[C@H](CCO)C1	ZINC000328637684	511903271	/nfs/dbraw/zinc/90/32/71/511903271.db2.gz	BCDZJIQIYYEUTM-GFCCVEGCSA-N	0	0	357.376	2.814	10	30		FFEERN
C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H]2OCCN(C)[C@H]2C1	ZINC000328929102	511952019	/nfs/dbraw/zinc/95/20/19/511952019.db2.gz	YIKJOXYWXZQERJ-SNPRPXQTSA-N	0	0	360.483	2.678	10	30		FFEERN
C[C@@H]1CC[C@H](C(=O)Nc2n[nH]c3ccc(NC(=O)[C@H]4CC[C@H](C)O4)cc32)O1	ZINC000328943807	511955220	/nfs/dbraw/zinc/95/52/20/511955220.db2.gz	ANNBPJIGHVSFSI-IRHXVLAXSA-N	0	0	372.425	2.646	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)CC2	ZINC000328963984	511957883	/nfs/dbraw/zinc/95/78/83/511957883.db2.gz	LQZUGJNVTBWKSE-JJRVBVJISA-N	0	0	372.473	2.574	10	30		FFEERN
CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1	ZINC000329027590	511968997	/nfs/dbraw/zinc/96/89/97/511968997.db2.gz	KDYOPEVASNCPLP-WSTLGDPDSA-N	0	0	374.481	2.820	10	30		FFEERN
Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O	ZINC000329120173	511987316	/nfs/dbraw/zinc/98/73/16/511987316.db2.gz	KBQSHWQFCXAKSB-BRWVUGGUSA-N	0	0	368.437	2.650	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)cn1	ZINC000329161341	511996338	/nfs/dbraw/zinc/99/63/38/511996338.db2.gz	FNOWXWRTOOGDAX-SOUVJXGZSA-N	0	0	374.407	2.964	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CCC(C)(C)O2)CCC(=O)N1C1CC1	ZINC000329163564	511996506	/nfs/dbraw/zinc/99/65/06/511996506.db2.gz	GICWIMCBSRXGCS-UKPHBRMFSA-N	0	0	360.458	2.529	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1	ZINC000329200438	512003741	/nfs/dbraw/zinc/00/37/41/512003741.db2.gz	VHLPWYYBERBFMZ-GZBFAFLISA-N	0	0	374.407	2.729	10	30		FFEERN
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1ccc(F)c(F)c1	ZINC000329207290	512005525	/nfs/dbraw/zinc/00/55/25/512005525.db2.gz	FCYRFBZOCSMLLY-BHADISHBSA-N	0	0	354.397	2.802	10	30		FFEERN
COc1cc(F)c([C@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1OC	ZINC000329441307	512047926	/nfs/dbraw/zinc/04/79/26/512047926.db2.gz	JZGVWQBENUBVDF-MISXGVKJSA-N	0	0	365.405	2.869	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)Cc3ccc4c(c3)OCCO4)C2)nn1	ZINC000329633093	512079077	/nfs/dbraw/zinc/07/90/77/512079077.db2.gz	WZXDNPHLAHKQPF-INIZCTEOSA-N	0	0	368.437	2.724	10	30		FFEERN
CC1(C)C[C@H](NC(=O)NC[C@H]2CCCCS2(=O)=O)c2ccccc2O1	ZINC000329663057	512084085	/nfs/dbraw/zinc/08/40/85/512084085.db2.gz	PRZDIDJZYFXSJC-HIFRSBDPSA-N	0	0	366.483	2.760	10	30		FFEERN
C[C@@H]1CC(CNC(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)C[C@@H](C)O1	ZINC000329796685	512098568	/nfs/dbraw/zinc/09/85/68/512098568.db2.gz	DYGDVGZLJSFSFV-IOASZLSFSA-N	0	0	361.490	2.979	10	30		FFEERN
C=CCn1c(N2CCn3ncnc3C2)nnc1C12CC3CC(CC(C3)C1)C2	ZINC000329854001	512104389	/nfs/dbraw/zinc/10/43/89/512104389.db2.gz	SJLNQNITDBQYBY-UHFFFAOYSA-N	0	0	365.485	2.544	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1	ZINC000329890867	512105748	/nfs/dbraw/zinc/10/57/48/512105748.db2.gz	GYSOMYLBUIJMDY-AABGKKOBSA-N	0	0	373.497	2.536	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)ccc1C(F)(F)F	ZINC000407953777	512974475	/nfs/dbraw/zinc/97/44/75/512974475.db2.gz	MLVXFZPPLRAVLS-GJZGRUSLSA-N	0	0	374.384	2.909	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC(C)(C)OC(C)(C)C3)C2)n1	ZINC000408262462	513033996	/nfs/dbraw/zinc/03/39/96/513033996.db2.gz	KFUAWJURBJCWGF-KRWDZBQOSA-N	0	0	370.497	2.894	10	30		FFEERN
N#C[C@H]1CCC[C@H]1NC(=O)c1cc(Br)c2c(c1)OCCO2	ZINC000408328825	513045340	/nfs/dbraw/zinc/04/53/40/513045340.db2.gz	HDORDBGNEITFMJ-BXKDBHETSA-N	0	0	351.200	2.642	10	30		FFEERN
COC(=O)c1ccc(OC(F)F)c(C#N)c1I	ZINC000575386541	518208570	/nfs/dbraw/zinc/20/85/70/518208570.db2.gz	XNSLDCJIURLWPA-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
N#CCc1cc([N+](=O)[O-])cc(OC(F)F)c1I	ZINC000575666476	518245248	/nfs/dbraw/zinc/24/52/48/518245248.db2.gz	JCZDXSXLYCUTEY-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(F)c1I	ZINC000611004980	520941732	/nfs/dbraw/zinc/94/17/32/520941732.db2.gz	FFDOYUWJNGSVBW-LDYMZIIASA-N	0	0	358.154	2.852	10	30		FFEERN
COC(=O)/C(=N/Nc1ccccc1C)Sc1nnnn1-c1ccccc1	ZINC000033350223	522740810	/nfs/dbraw/zinc/74/08/10/522740810.db2.gz	NYAVKJZYICDRHG-CYVLTUHYSA-N	0	0	368.422	2.661	10	30		FFEERN
C=CCOc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1	ZINC000030620743	727905408	/nfs/dbraw/zinc/90/54/08/727905408.db2.gz	ZHIWPDWWHJACGM-QGZVFWFLSA-N	0	0	357.431	2.900	10	30		FFEERN
C[C@H](NC(=O)NCC#Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1	ZINC000045611358	728005105	/nfs/dbraw/zinc/00/51/05/728005105.db2.gz	RAKWPGUPTKKCTK-HNNXBMFYSA-N	0	0	356.447	2.502	10	30		FFEERN
C#CC[C@H](OC(=O)CN1C(=O)CSc2ccccc21)c1ccccn1	ZINC000105549499	728506359	/nfs/dbraw/zinc/50/63/59/728506359.db2.gz	XLCYIYLEJWCCMZ-INIZCTEOSA-N	0	0	352.415	2.828	10	30		FFEERN
C=C(Br)COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1	ZINC000179150941	729178995	/nfs/dbraw/zinc/17/89/95/729178995.db2.gz	JQDOHDNBYXLBRY-OCCSQVGLSA-N	0	0	356.191	2.797	10	30		FFEERN
C[C@@H](NC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)c1cncc(F)c1	ZINC000329304304	729797129	/nfs/dbraw/zinc/79/71/29/729797129.db2.gz	OGLFSFYKYQBXRV-CYBMUJFWSA-N	0	0	369.462	2.629	10	30		FFEERN
O=C(NC[C@@H]1CCCCS1)N[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000329502244	729797674	/nfs/dbraw/zinc/79/76/74/729797674.db2.gz	GKUHXBVBBHNOFU-JSGCOSHPSA-N	0	0	354.497	2.694	10	30		FFEERN
Cc1nc([C@H](C)NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cs1	ZINC000329689769	729798475	/nfs/dbraw/zinc/79/84/75/729798475.db2.gz	VUDIPLLXEUHIEK-JSGCOSHPSA-N	0	0	360.487	2.817	10	30		FFEERN
O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCC(c2nccs2)CC1	ZINC000330119875	729799950	/nfs/dbraw/zinc/79/99/50/729799950.db2.gz	IOYRLYASZJOHRE-UHFFFAOYSA-N	0	0	360.365	2.574	10	30		FFEERN
C=CCN(CCOC)S(=O)(=O)/C=C\c1ccc(Br)cc1	ZINC000588581984	845982309	/nfs/dbraw/zinc/98/23/09/845982309.db2.gz	SVPIEGFBWGHDLQ-WQLSENKSSA-N	0	0	360.273	2.884	10	30		FFEERN
O=C(NC1CC1)[C@@H]1CCCN1C(=O)NCc1cc(F)cc2c1OCOC2	ZINC000328769465	963657621	/nfs/dbraw/zinc/65/76/21/963657621.db2.gz	QQNKJMXPKAMZSU-HNNXBMFYSA-N	0	0	363.389	2.690	10	30		FFEERN
Cc1cc(C)cc([C@H]2CCN(C(=O)CCNC(=O)C3N=CC=CC3=O)C2)c1	ZINC000588432162	964514276	/nfs/dbraw/zinc/51/42/76/964514276.db2.gz	ZZTDMEUOBXYNJR-BZROSYFNSA-N	0	0	367.449	2.536	10	30		FFEERN
O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCN(c2cccnn2)CC1	ZINC000330145033	970560600	/nfs/dbraw/zinc/56/06/00/970560600.db2.gz	ZZBVRNPAPUYMOO-KBPBESRZSA-N	0	0	371.407	2.881	10	30		FFEERN
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(OCC)cc2)cc1	ZINC000108605672	1005691566	/nfs/dbraw/zinc/69/15/66/1005691566.db2.gz	FXGVELKCVUILOF-HNNXBMFYSA-N	0	0	366.417	2.913	10	30		FFEERN
CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1	ZINC000005452556	219681870	/nfs/dbraw/zinc/68/18/70/219681870.db2.gz	MUXUXBIVNZBEHX-SLNYWTKHSA-N	0	0	367.474	2.997	10	30		FFEERN
CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000091247749	249937803	/nfs/dbraw/zinc/93/78/03/249937803.db2.gz	YQCYLJFNAXWGFP-IBGZPJMESA-N	0	0	362.433	2.645	10	30		FFEERN
CN1CCO[C@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1	ZINC000105283622	250207895	/nfs/dbraw/zinc/20/78/95/250207895.db2.gz	SZBJMVQZHSCONJ-GOSISDBHSA-N	0	0	366.421	2.803	10	30		FFEERN
CN(C)c1noc(C2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)n1	ZINC000186762857	251259057	/nfs/dbraw/zinc/25/90/57/251259057.db2.gz	YTYWOVCTEQKOOS-UHFFFAOYSA-N	0	0	371.466	2.506	10	30		FFEERN
CCc1noc([C@@H](C)N2CCN(c3cc(C(C)=O)ccc3C#N)CC2)n1	ZINC000273161646	252236860	/nfs/dbraw/zinc/23/68/60/252236860.db2.gz	BRICNPYTMJNVRQ-CYBMUJFWSA-N	0	0	353.426	2.589	10	30		FFEERN
N#CCCN(CCC#N)c1ncnc(NCCc2ccccc2)c1[N+](=O)[O-]	ZINC000040610194	220912158	/nfs/dbraw/zinc/91/21/58/220912158.db2.gz	VWURXFFWQMMJSS-UHFFFAOYSA-N	0	0	365.397	2.673	10	30		FFEERN
C=CCC(O)(CC=C)c1nc2c([nH]1)C(=O)NC[C@@H](c1cccc(OC)c1)C2	ZINC000065395177	221209840	/nfs/dbraw/zinc/20/98/40/221209840.db2.gz	BQARAOZIWZCESZ-HNNXBMFYSA-N	0	0	367.449	2.828	10	30		FFEERN
CCc1nnc(Nc2ccc(N3CCC(O)CC3)c(C#N)c2)nc1CC	ZINC000302713048	258108486	/nfs/dbraw/zinc/10/84/86/258108486.db2.gz	DYOSPCBTGMOWDD-UHFFFAOYSA-N	0	0	352.442	2.573	10	30		FFEERN
Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@@H](C)[C@@H](N2CCOCC2)C1	ZINC000301577729	258056701	/nfs/dbraw/zinc/05/67/01/258056701.db2.gz	OHUQIPKUKARXNN-KDOFPFPSSA-N	0	0	354.429	2.711	10	30		FFEERN
COc1cc(N2CCCN(c3ncccc3C#N)CC2)c([N+](=O)[O-])cc1F	ZINC000301608855	258058653	/nfs/dbraw/zinc/05/86/53/258058653.db2.gz	AGHJMIZISGBHHB-UHFFFAOYSA-N	0	0	371.372	2.726	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H]3c3cc[nH]n3)C2)n1	ZINC000329081846	258128767	/nfs/dbraw/zinc/12/87/67/258128767.db2.gz	DHRQNTLFQMKAMM-FUHWJXTLSA-N	0	0	364.453	2.565	10	30		FFEERN
C[C@@]12CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C[C@H]1[C@@H]1CC[C@H]2C1	ZINC000333126713	258251321	/nfs/dbraw/zinc/25/13/21/258251321.db2.gz	WCJYNXCNUOWYQM-XREXNNHRSA-N	0	0	352.406	2.893	10	30		FFEERN
CCOC(=O)C(=CNc1sccc1C(=O)OC)C(=O)C(F)(F)F	ZINC000100205863	222238531	/nfs/dbraw/zinc/23/85/31/222238531.db2.gz	WZTKARQTQUWAIC-SOFGYWHQSA-N	0	0	351.302	2.525	10	30		FFEERN
CCc1cc(C#N)ccc1Nc1c(N[C@H]2CCC[C@@]23CCCO3)c(=O)c1=O	ZINC000100159238	222238911	/nfs/dbraw/zinc/23/89/11/222238911.db2.gz	CLOFODXPVDVGGV-HRAATJIYSA-N	0	0	365.433	2.974	10	30		FFEERN
N=C(NOC(=O)c1cccnc1Cl)c1ccc(-c2csnn2)cc1	ZINC000004280765	506367710	/nfs/dbraw/zinc/36/77/10/506367710.db2.gz	ZPQMTDQFQYPEML-UHFFFAOYSA-N	0	0	359.798	2.731	10	30		FFEERN
N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2)c1N	ZINC000066239816	506455470	/nfs/dbraw/zinc/45/54/70/506455470.db2.gz	ARZSJEXIMMGVAJ-QGZVFWFLSA-N	0	0	359.389	2.580	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)cc1	ZINC000055821565	506860289	/nfs/dbraw/zinc/86/02/89/506860289.db2.gz	ZHASSBBILYRUKT-GOSISDBHSA-N	0	0	359.470	2.728	10	30		FFEERN
N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2	ZINC000029247686	507771276	/nfs/dbraw/zinc/77/12/76/507771276.db2.gz	FGIFTCDVVVEJBP-MRXNPFEDSA-N	0	0	365.437	2.619	10	30		FFEERN
N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3ncon3)cc2)CC1	ZINC000107209775	507838323	/nfs/dbraw/zinc/83/83/23/507838323.db2.gz	PYQMHFIRSKUBBV-LJQANCHMSA-N	0	0	373.416	2.759	10	30		FFEERN
N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1	ZINC000108400293	507893331	/nfs/dbraw/zinc/89/33/31/507893331.db2.gz	FVGLNYGBKXNLPP-QGZVFWFLSA-N	0	0	370.430	2.954	10	30		FFEERN
CCc1nc(CNC(=O)C(=O)Nc2ccccc2SCCC#N)cs1	ZINC000108614476	507908734	/nfs/dbraw/zinc/90/87/34/507908734.db2.gz	WAKKQAZUCLRCMH-UHFFFAOYSA-N	0	0	374.491	2.966	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1	ZINC000090501963	507923859	/nfs/dbraw/zinc/92/38/59/507923859.db2.gz	VCEXYUYHTFKJOC-SGWGQVFISA-N	0	0	359.429	2.879	10	30		FFEERN
CCn1cnnc1[C@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1	ZINC000109856495	507992946	/nfs/dbraw/zinc/99/29/46/507992946.db2.gz	NSHYGSXNEOOWDN-KRWDZBQOSA-N	0	0	369.494	2.809	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)C1	ZINC000110728207	508044460	/nfs/dbraw/zinc/04/44/60/508044460.db2.gz	BAIMFSKOLHSDGS-QGZVFWFLSA-N	0	0	352.438	2.754	10	30		FFEERN
CC(C)(C)OC(=O)N1CCCC[C@@H]1CS(=O)(=O)c1ncccc1C#N	ZINC000095086698	508172990	/nfs/dbraw/zinc/17/29/90/508172990.db2.gz	LUROZZMEOPKNCN-CQSZACIVSA-N	0	0	365.455	2.517	10	30		FFEERN
N#Cc1cccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)c1	ZINC000112383787	508180214	/nfs/dbraw/zinc/18/02/14/508180214.db2.gz	RRYNZKPWTSQHIO-UHFFFAOYSA-N	0	0	354.435	3.000	10	30		FFEERN
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)o1	ZINC000076586911	508227835	/nfs/dbraw/zinc/22/78/35/508227835.db2.gz	CDWUUUGGSGFMHG-JTQLQIEISA-N	0	0	363.320	2.877	10	30		FFEERN
COc1cc(OC)cc([C@H]2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C2)c1	ZINC000083402766	508243836	/nfs/dbraw/zinc/24/38/36/508243836.db2.gz	MWLRGESPRSQMHK-YWZLYKJASA-N	0	0	359.470	2.548	10	30		FFEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000083562074	508248058	/nfs/dbraw/zinc/24/80/58/508248058.db2.gz	QDRIQJPWAANBLT-LLVKDONJSA-N	0	0	362.340	2.716	10	30		FFEERN
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCc2cccc(C#N)c2)CC1	ZINC000101784708	508257192	/nfs/dbraw/zinc/25/71/92/508257192.db2.gz	UATBCHGEBYKULC-HNNXBMFYSA-N	0	0	356.470	2.641	10	30		FFEERN
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)c2ccccc2C1	ZINC000103497945	508315379	/nfs/dbraw/zinc/31/53/79/508315379.db2.gz	PHTQZJKGHWAFGU-UHFFFAOYSA-N	0	0	361.854	2.852	10	30		FFEERN
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cn1	ZINC000103928816	508324192	/nfs/dbraw/zinc/32/41/92/508324192.db2.gz	BRHZQRFBKDXOSO-INIZCTEOSA-N	0	0	356.813	3.000	10	30		FFEERN
CN(C)c1ccc(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1	ZINC000114564671	508326504	/nfs/dbraw/zinc/32/65/04/508326504.db2.gz	ROLNYQTVRHCCMK-FQEVSTJZSA-N	0	0	363.465	2.994	10	30		FFEERN
CN(C)c1ccccc1NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000114568925	508326629	/nfs/dbraw/zinc/32/66/29/508326629.db2.gz	GAVQNLCETMZOQK-SFHVURJKSA-N	0	0	363.465	2.994	10	30		FFEERN
N#Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(F)cc3F)CC2)c1	ZINC000114702980	508339123	/nfs/dbraw/zinc/33/91/23/508339123.db2.gz	KXZGUZJRHUNGMH-UHFFFAOYSA-N	0	0	369.371	2.825	10	30		FFEERN
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCc2nc(CC)nn2C1	ZINC000114977328	508364025	/nfs/dbraw/zinc/36/40/25/508364025.db2.gz	NLROGQLOBMAGAO-QGZVFWFLSA-N	0	0	353.470	2.596	10	30		FFEERN
N#CCCN(C(=O)CN1CCC(Cn2cccn2)CC1)c1ccccc1	ZINC000106185417	508397101	/nfs/dbraw/zinc/39/71/01/508397101.db2.gz	VGJZWEPRFKBZFK-UHFFFAOYSA-N	0	0	351.454	2.542	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)CC2	ZINC000133673816	508433123	/nfs/dbraw/zinc/43/31/23/508433123.db2.gz	LGJOIVCVSPVBMT-INIZCTEOSA-N	0	0	369.494	2.638	10	30		FFEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000122772900	508584260	/nfs/dbraw/zinc/58/42/60/508584260.db2.gz	FVZNECPTINIECI-MLGOLLRUSA-N	0	0	354.859	2.527	10	30		FFEERN
C=CCNc1ncc(C(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)s1	ZINC000128582108	508615236	/nfs/dbraw/zinc/61/52/36/508615236.db2.gz	YKVJUPOANGCNMD-AWEZNQCLSA-N	0	0	354.439	2.687	10	30		FFEERN
CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2C#N)no1	ZINC000122977983	508617887	/nfs/dbraw/zinc/61/78/87/508617887.db2.gz	MFDPUTIWDSJQPM-ZDUSSCGKSA-N	0	0	364.402	2.730	10	30		FFEERN
CC[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1cccc([N+](=O)[O-])c1	ZINC000136582301	508702361	/nfs/dbraw/zinc/70/23/61/508702361.db2.gz	FQCCFHWOAWCTOQ-HNNXBMFYSA-N	0	0	370.340	2.812	10	30		FFEERN
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21	ZINC000158787335	508751889	/nfs/dbraw/zinc/75/18/89/508751889.db2.gz	WETMUKHITUVQPA-KBPBESRZSA-N	0	0	374.384	2.909	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3c(F)cc(C#N)cc3F)C2)n1	ZINC000155241564	508956529	/nfs/dbraw/zinc/95/65/29/508956529.db2.gz	KCJHDTUZHCLHGE-CYBMUJFWSA-N	0	0	359.380	2.597	10	30		FFEERN
C[C@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1)c1ccccc1-n1cccn1	ZINC000132692166	509063118	/nfs/dbraw/zinc/06/31/18/509063118.db2.gz	IZVOBPSTKULTTB-HNNXBMFYSA-N	0	0	373.416	2.754	10	30		FFEERN
O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@@H]1CCc2ncnn2C1	ZINC000161336771	509103492	/nfs/dbraw/zinc/10/34/92/509103492.db2.gz	ZQPOZEQFGMKALL-LJQANCHMSA-N	0	0	357.417	2.814	10	30		FFEERN
N#Cc1cccc(CNC(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1	ZINC000121502854	509177063	/nfs/dbraw/zinc/17/70/63/509177063.db2.gz	XKYSWGPSXUANPA-CRAIPNDOSA-N	0	0	357.360	2.854	10	30		FFEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000175864714	509186594	/nfs/dbraw/zinc/18/65/94/509186594.db2.gz	FIJHTGLKKPYRMF-QGZVFWFLSA-N	0	0	350.426	2.667	10	30		FFEERN
CCn1cc(C2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)cn1	ZINC000195500018	509193097	/nfs/dbraw/zinc/19/30/97/509193097.db2.gz	DZLHBJYFYVUMLD-UHFFFAOYSA-N	0	0	357.502	2.767	10	30		FFEERN
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCn2nc(C)nc21	ZINC000175878301	509194307	/nfs/dbraw/zinc/19/43/07/509194307.db2.gz	DLQDQZQPIFYQIN-KRWDZBQOSA-N	0	0	352.442	2.915	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000176234362	509394692	/nfs/dbraw/zinc/39/46/92/509394692.db2.gz	ZQDVPVRGZYYRQX-GOSISDBHSA-N	0	0	372.494	2.519	10	30		FFEERN
CC[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1cccs1	ZINC000176265701	509411808	/nfs/dbraw/zinc/41/18/08/509411808.db2.gz	GWCGZEDBLDDREB-KBPBESRZSA-N	0	0	370.482	2.781	10	30		FFEERN
Cc1nc(CN2CCCN(C(=O)c3cccc(F)c3C#N)CC2)cs1	ZINC000189223644	509470143	/nfs/dbraw/zinc/47/01/43/509470143.db2.gz	AGXRLUCLMRBLTI-UHFFFAOYSA-N	0	0	358.442	2.810	10	30		FFEERN
CCOC(=O)[C@@H]1CC[C@@H](Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1C	ZINC000186027192	509486727	/nfs/dbraw/zinc/48/67/27/509486727.db2.gz	KMBDJMCNCVWHBS-YSVLISHTSA-N	0	0	353.426	2.919	10	30		FFEERN
C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H]1CCC2(CCCCC2)O1	ZINC000248793378	509487986	/nfs/dbraw/zinc/48/79/86/509487986.db2.gz	DSOLYUMHSHHUNR-IAGOWNOFSA-N	0	0	355.486	2.741	10	30		FFEERN
N#CCSc1cccc(C(=O)N2CCC(Nc3cccnn3)CC2)c1	ZINC000176577748	509592704	/nfs/dbraw/zinc/59/27/04/509592704.db2.gz	RZBBBCWLQZRRGA-UHFFFAOYSA-N	0	0	353.451	2.809	10	30		FFEERN
COCCN(Cc1ccc(C#N)cc1)C(=O)C1CCC(C(=O)OC)CC1	ZINC000180144922	509775984	/nfs/dbraw/zinc/77/59/84/509775984.db2.gz	LZUHPWYIOFBEDI-UHFFFAOYSA-N	0	0	358.438	2.513	10	30		FFEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](CNc2ccccn2)C1	ZINC000177034447	509829715	/nfs/dbraw/zinc/82/97/15/509829715.db2.gz	VHEAHTLGCZGIQV-APWZRJJASA-N	0	0	350.422	2.601	10	30		FFEERN
Cc1sc(NC(=O)CN2CCO[C@@H](c3nccs3)C2)c(C#N)c1C	ZINC000177095273	509868345	/nfs/dbraw/zinc/86/83/45/509868345.db2.gz	HBHFWTGBERYSOW-CYBMUJFWSA-N	0	0	362.480	2.705	10	30		FFEERN
Cc1cnn(C[C@@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)CCO2)c1	ZINC000177140817	509895064	/nfs/dbraw/zinc/89/50/64/509895064.db2.gz	YZGXBEINBWMEQH-SFHVURJKSA-N	0	0	363.383	2.963	10	30		FFEERN
Brc1cc2c(cc1CON=C1CCCc3nonc31)OCO2	ZINC000254432882	509905600	/nfs/dbraw/zinc/90/56/00/509905600.db2.gz	WLTVAKUDLLHQPS-UHFFFAOYSA-N	0	0	366.171	2.818	10	30		FFEERN
C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21	ZINC000186841898	509910208	/nfs/dbraw/zinc/91/02/08/509910208.db2.gz	UUWCOMHZBSOALO-ICSRJNTNSA-N	0	0	362.445	2.964	10	30		FFEERN
N#Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)ccn1	ZINC000193671074	510014659	/nfs/dbraw/zinc/01/46/59/510014659.db2.gz	BGNLCAIRTBEKKV-HOTGVXAUSA-N	0	0	361.323	2.920	10	30		FFEERN
CCO[C@@H]1C[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C12CCOCC2	ZINC000187053447	510029984	/nfs/dbraw/zinc/02/99/84/510029984.db2.gz	ZRJJSVHSVMIHHX-HUUCEWRRSA-N	0	0	350.365	2.540	10	30		FFEERN
CCO[C@H]1C[C@H](NC(=O)CSCc2ccc(C#N)cc2)C12CCOCC2	ZINC000187085635	510048318	/nfs/dbraw/zinc/04/83/18/510048318.db2.gz	WFSFPEYNNNWJSQ-ROUUACIJSA-N	0	0	374.506	2.882	10	30		FFEERN
N#CCOc1cccc(CC(=O)N2CCC(Nc3nccs3)CC2)c1	ZINC000190377817	510095727	/nfs/dbraw/zinc/09/57/27/510095727.db2.gz	DDINKVSUVQGFPM-UHFFFAOYSA-N	0	0	356.451	2.691	10	30		FFEERN
N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CCCn3ncnc32)c1	ZINC000177578999	510142955	/nfs/dbraw/zinc/14/29/55/510142955.db2.gz	ALPKVLWSKQWETJ-LJQANCHMSA-N	0	0	373.416	2.994	10	30		FFEERN
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(Nc2cccnn2)CC1	ZINC000184327693	510264431	/nfs/dbraw/zinc/26/44/31/510264431.db2.gz	INJQDAHEUJCHLE-CQSZACIVSA-N	0	0	366.425	2.876	10	30		FFEERN
Cc1oc(NC(=O)[C@H](C)N2CC[C@H](CNc3ccccn3)C2)c(C#N)c1C	ZINC000171643437	510273370	/nfs/dbraw/zinc/27/33/70/510273370.db2.gz	HPVWWDGOOZNDOS-GOEBONIOSA-N	0	0	367.453	2.924	10	30		FFEERN
C[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1(Cl)Cl	ZINC000246320785	510424259	/nfs/dbraw/zinc/42/42/59/510424259.db2.gz	FIVZCUHCMICAOR-HOCLYGCPSA-N	0	0	352.265	2.807	10	30		FFEERN
Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)Nc1ccc(CC#N)cc1	ZINC000184841913	510540501	/nfs/dbraw/zinc/54/05/01/510540501.db2.gz	RDFRGWUAKWSPAJ-SFHVURJKSA-N	0	0	366.396	2.905	10	30		FFEERN
Cn1cc([C@@H]2CCN(C(=O)NCCSCc3ccccc3C#N)C2)cn1	ZINC000172111935	510548943	/nfs/dbraw/zinc/54/89/43/510548943.db2.gz	BDEXPNSDPXBYFL-MRXNPFEDSA-N	0	0	369.494	2.724	10	30		FFEERN
COc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2C#N)cc1OC	ZINC000178515048	510640660	/nfs/dbraw/zinc/64/06/60/510640660.db2.gz	HHRIENWQJNSSTG-NSHDSACASA-N	0	0	364.398	2.754	10	30		FFEERN
Cc1ccc(CN2CC[C@H](NC(=O)/C=C/c3cccc(C#N)c3)C2=O)cc1	ZINC000191616489	510753775	/nfs/dbraw/zinc/75/37/75/510753775.db2.gz	CSXOECYMBGTWCT-XTXLJPNXSA-N	0	0	359.429	2.797	10	30		FFEERN
Cn1cc(C#N)cc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000178829555	510793634	/nfs/dbraw/zinc/79/36/34/510793634.db2.gz	NNVNLKKUBNLABR-CABCVRRESA-N	0	0	363.339	2.864	10	30		FFEERN
C=CCc1cc(CN2CCO[C@@H](c3cnn(CC)c3)C2)cc(OC)c1O	ZINC000191706505	510795437	/nfs/dbraw/zinc/79/54/37/510795437.db2.gz	JJQGFZPBTXYSNP-LJQANCHMSA-N	0	0	357.454	2.919	10	30		FFEERN
Cc1csc([C@@H]2CN(CC(=O)Nc3oc(C)c(C)c3C#N)CCO2)n1	ZINC000195387812	510808808	/nfs/dbraw/zinc/80/88/08/510808808.db2.gz	YQWNLOXOQLZHAQ-AWEZNQCLSA-N	0	0	360.439	2.545	10	30		FFEERN
O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2CCC[C@@H](n3cccn3)C2)C1	ZINC000329909017	510875650	/nfs/dbraw/zinc/87/56/50/510875650.db2.gz	UROBUDVTWPCBQZ-SJLPKXTDSA-N	0	0	373.501	2.615	10	30		FFEERN
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N1C[C@@H]2CCC[C@H]21	ZINC000329917628	510877518	/nfs/dbraw/zinc/87/75/18/510877518.db2.gz	FMODCOJXOAPNPL-WMLDXEAASA-N	0	0	363.483	2.891	10	30		FFEERN
CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)C(C)C	ZINC000329945357	510883024	/nfs/dbraw/zinc/88/30/24/510883024.db2.gz	IZUHWSJWOSJLHA-USXIJHARSA-N	0	0	362.474	2.584	10	30		FFEERN
CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CCC[C@@H]1Cn1ccnc1)CC2	ZINC000330055017	510907182	/nfs/dbraw/zinc/90/71/82/510907182.db2.gz	SYLKZTWVDLKVEM-IAGOWNOFSA-N	0	0	356.474	2.596	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1cccnc1)CC2	ZINC000330106725	510918366	/nfs/dbraw/zinc/91/83/66/510918366.db2.gz	LEYWRGRBIAODPW-YQQAZPJKSA-N	0	0	355.442	2.846	10	30		FFEERN
CC1(C)C[C@@H](NC(=O)N2CC(=O)N(CC(F)(F)F)C2)c2ccccc2O1	ZINC000330127448	510920621	/nfs/dbraw/zinc/92/06/21/510920621.db2.gz	JAXUQWJFKVNGBF-GFCCVEGCSA-N	0	0	371.359	2.867	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1	ZINC000330151225	510925944	/nfs/dbraw/zinc/92/59/44/510925944.db2.gz	LHQAYOXMKSTERO-JFIYKMOQSA-N	0	0	374.485	2.635	10	30		FFEERN
N#Cc1c(NC[C@@H]2CCN(C(=O)Cc3ccccc3)C2)nc2ccccn21	ZINC000363691691	511707119	/nfs/dbraw/zinc/70/71/19/511707119.db2.gz	TZVJHIQKNJCTSI-KRWDZBQOSA-N	0	0	359.433	2.709	10	30		FFEERN
C=C[C@@H](C)n1cnc(I)c1I	ZINC000306475812	511764714	/nfs/dbraw/zinc/76/47/14/511764714.db2.gz	YARLEEQVFGORTN-RXMQYKEDSA-N	0	0	373.963	2.839	10	30		FFEERN
CN(C)c1ccc(N[C@H]2CCCN(C(=O)NCc3cscn3)CC2)cn1	ZINC000328630777	511900949	/nfs/dbraw/zinc/90/09/49/511900949.db2.gz	JUAPMYHCIWPWKO-AWEZNQCLSA-N	0	0	374.514	2.985	10	30		FFEERN
Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000328639583	511904425	/nfs/dbraw/zinc/90/44/25/511904425.db2.gz	DTGZGSUWAARFSU-WFASDCNBSA-N	0	0	359.451	2.715	10	30		FFEERN
O=C(CSCC(=O)N1CCCCC1)N[C@H]1CCC(=O)NC12CCC2	ZINC000328718199	511920482	/nfs/dbraw/zinc/92/04/82/511920482.db2.gz	UXURRWPFRZSNCZ-ZDUSSCGKSA-N	0	0	353.488	2.730	10	30		FFEERN
CS(=O)(=O)[C@H]1CCCN(C(=O)NC2C3CC4CC(C3)CC2C4)CC1	ZINC000328733770	511923424	/nfs/dbraw/zinc/92/34/24/511923424.db2.gz	YEAUDVQAHOCVPH-IKXAHOJESA-N	0	0	354.516	2.624	10	30		FFEERN
O=C(CN1CCC[C@H]2C(=O)NC[C@H]21)NC[C@@H]1CCN(c2ccccc2)C1	ZINC000328787084	511930449	/nfs/dbraw/zinc/93/04/49/511930449.db2.gz	LAAINFBXSZYWRY-CGTJXYLNSA-N	0	0	356.470	2.520	10	30		FFEERN
C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1nccn1C)N1CCc2ccccc21	ZINC000328923708	511951095	/nfs/dbraw/zinc/95/10/95/511951095.db2.gz	DBIDIVJYRSVNAY-YXJHDRRASA-N	0	0	354.454	2.905	10	30		FFEERN
C[C@@H](C(=O)NCC1C[C@@H](C)O[C@H](C)C1)N1C(=O)NC2(CCCC2)C1=O	ZINC000328952508	511955983	/nfs/dbraw/zinc/95/59/83/511955983.db2.gz	XRQILVIVNFFIMA-UPJWGTAASA-N	0	0	351.447	2.604	10	30		FFEERN
Cn1cc([C@H]2CN(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)C[C@@H]2C(N)=O)cn1	ZINC000329085628	511979499	/nfs/dbraw/zinc/97/94/99/511979499.db2.gz	UHKLJPUAUHVKSY-PXGUKHNGSA-N	0	0	359.474	2.854	10	30		FFEERN
O=C(CN1CCC(Nc2cccnn2)CC1)NC12CC3CC(CC(C3)C1)C2	ZINC000329135481	511989792	/nfs/dbraw/zinc/98/97/92/511989792.db2.gz	GJGAURNUKLFVRE-UHFFFAOYSA-N	0	0	369.513	2.700	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CCC[C@H](C)CC2)C1	ZINC000329164702	511996167	/nfs/dbraw/zinc/99/61/67/511996167.db2.gz	GXVXVCLEWFHRPD-YVSFHVDLSA-N	0	0	351.491	2.581	10	30		FFEERN
C[C@H](NC(=O)CN1CCC[C@H]1C(=O)N1CCSCC1)c1ccccc1	ZINC000329194681	512002525	/nfs/dbraw/zinc/00/25/25/512002525.db2.gz	TUHCDTMAMWVBTI-RDJZCZTQSA-N	0	0	361.511	2.744	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@H]2CCCC(C)(C)C2)C1	ZINC000329205455	512004713	/nfs/dbraw/zinc/00/47/13/512004713.db2.gz	WZQXRSJQVJFPSV-JYJNAYRXSA-N	0	0	351.491	2.581	10	30		FFEERN
CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C2CCCC2)C1	ZINC000329265717	512016551	/nfs/dbraw/zinc/01/65/51/512016551.db2.gz	FJWORJUEEDCRSE-WBVHZDCISA-N	0	0	365.518	2.623	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3	ZINC000329430075	512046178	/nfs/dbraw/zinc/04/61/78/512046178.db2.gz	HLFAQYRJMGQHPM-RXZZGXEASA-N	0	0	358.486	2.922	10	30		FFEERN
CNC(=O)C1CCC(NC(=O)N2CCO[C@H](c3nccs3)C2)CC1	ZINC000329493950	512057233	/nfs/dbraw/zinc/05/72/33/512057233.db2.gz	WRFNAOGTCUFKOW-BPCQOVAHSA-N	0	0	352.460	2.576	10	30		FFEERN
C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1nc(-c2cccc(F)c2)no1	ZINC000329629399	512079021	/nfs/dbraw/zinc/07/90/21/512079021.db2.gz	HMYYSZGVNXJSCK-ZLKJLUDKSA-N	0	0	373.388	2.901	10	30		FFEERN
NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)c1	ZINC000329722602	512090473	/nfs/dbraw/zinc/09/04/73/512090473.db2.gz	BBWAAHGJISTRMH-LAVFITLUSA-N	0	0	373.453	2.826	10	30		FFEERN
Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC[C@@H](c3nc(C)c(C)s3)C1)CC2	ZINC000329756581	512093928	/nfs/dbraw/zinc/09/39/28/512093928.db2.gz	YRWAMPDUBFJMSI-HUUCEWRRSA-N	0	0	374.514	2.768	10	30		FFEERN
Cn1cc(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)c([C@H]2CCOC2)n1	ZINC000329845707	512103463	/nfs/dbraw/zinc/10/34/63/512103463.db2.gz	LXZQPHPBEFTVCB-UONOGXRCSA-N	0	0	371.485	2.738	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1cc(F)cc3c1OCOC3)CC2	ZINC000329859255	512104637	/nfs/dbraw/zinc/10/46/37/512104637.db2.gz	WODODZIBGIKTAG-OAHLLOKOSA-N	0	0	374.416	2.921	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC4(C3)CCOCC4)C2)n1	ZINC000408284487	513038373	/nfs/dbraw/zinc/03/83/73/513038373.db2.gz	ZYJNKTUXLJLGAS-GOSISDBHSA-N	0	0	368.481	2.507	10	30		FFEERN
CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2ccc(F)c(C#N)c2)C1	ZINC000548010381	516692354	/nfs/dbraw/zinc/69/23/54/516692354.db2.gz	BVUHWLMMNUSQMD-GOSISDBHSA-N	0	0	358.442	2.700	10	30		FFEERN
O=C(COc1ccccc1F)/N=C1/N=C2N=CC=CN2Cc2ccccc21	ZINC000015906701	526990716	/nfs/dbraw/zinc/99/07/16/526990716.db2.gz	RHQOWXFTURWDOV-FCDQGJHFSA-N	0	0	362.364	2.948	10	30		FFEERN
Cn1nccc1CCC(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000328626350	527600608	/nfs/dbraw/zinc/60/06/08/527600608.db2.gz	LPLPBMHLTZJQNA-LLVKDONJSA-N	0	0	355.364	2.787	10	30		FFEERN
C=CCn1c(-c2ccccn2)nn(CN2CCC([C@H](C)O)CC2)c1=S	ZINC000160449989	728922026	/nfs/dbraw/zinc/92/20/26/728922026.db2.gz	JICVBDMOOZACQQ-AWEZNQCLSA-N	0	0	359.499	2.712	10	30		FFEERN
C=CCN(CC(F)(F)F)C(=O)CCC(=O)N1CCOc2ccccc21	ZINC000106434796	728510907	/nfs/dbraw/zinc/51/09/07/728510907.db2.gz	JIXLPHBUCMLWAN-UHFFFAOYSA-N	0	0	356.344	2.769	10	30		FFEERN
C#CCOCCC(=O)O[C@H](C)c1ccc(I)cc1	ZINC000166130746	728975467	/nfs/dbraw/zinc/97/54/67/728975467.db2.gz	WPCBMSHBJGMDFM-LLVKDONJSA-N	0	0	358.175	2.935	10	30		FFEERN
Cc1ncc(CN2CCN(CCCOc3ccc(C#N)cc3)CC2)s1	ZINC000170941500	728993091	/nfs/dbraw/zinc/99/30/91/728993091.db2.gz	JCTKSOHIIQTQSX-UHFFFAOYSA-N	0	0	356.495	2.910	10	30		FFEERN
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)c1cccs1	ZINC000178134585	729154529	/nfs/dbraw/zinc/15/45/29/729154529.db2.gz	HUKTZDSEVRYJCA-NEPJUHHUSA-N	0	0	364.448	2.591	10	30		FFEERN
Cc1nc([C@H]2CN(C(=O)NC3CCC(C(F)(F)F)CC3)CCO2)no1	ZINC000329315660	729797197	/nfs/dbraw/zinc/79/71/97/729797197.db2.gz	HHGRYXCXHIJOOB-HTAVTVPLSA-N	0	0	362.352	2.786	10	30		FFEERN
O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CC[C@@H](N2CCCC2=O)C1	ZINC000330053798	729799587	/nfs/dbraw/zinc/79/95/87/729799587.db2.gz	QYRFUWFVZIDFDO-BFHYXJOUSA-N	0	0	361.408	2.966	10	30		FFEERN
Cc1nc([C@H](C)NC(=O)N2CCSC[C@H]2c2cnn(C)c2)cs1	ZINC000330107163	729799744	/nfs/dbraw/zinc/79/97/44/729799744.db2.gz	LVFRIANLSHEYLB-HZMBPMFUSA-N	0	0	351.501	2.950	10	30		FFEERN
Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cc1N1CCCS1(=O)=O	ZINC000330240409	729800491	/nfs/dbraw/zinc/80/04/91/729800491.db2.gz	IRVRDHFQBIUXLX-ZBFHGGJFSA-N	0	0	363.483	2.955	10	30		FFEERN
O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)N1CC[C@@H]2CCC[C@H]21	ZINC000330233822	729800504	/nfs/dbraw/zinc/80/05/04/729800504.db2.gz	GCSKVHGGHVVRDF-BLLLJJGKSA-N	0	0	367.446	2.786	10	30		FFEERN
CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ncc(C#N)cc2Cl)C1	ZINC000888103403	734011850	/nfs/dbraw/zinc/01/18/50/734011850.db2.gz	YFOHZDHFIQOWRY-OCCSQVGLSA-N	0	0	359.817	2.549	10	30		FFEERN
O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)N[C@@H]1CCCNC1=O	ZINC000328710905	962535536	/nfs/dbraw/zinc/53/55/36/962535536.db2.gz	AYKAHEUVQXJKRX-OAHLLOKOSA-N	0	0	373.453	2.892	10	30		FFEERN
O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N[C@@H]1CCOc2ccccc21	ZINC000329092511	966775328	/nfs/dbraw/zinc/77/53/28/966775328.db2.gz	ARNGUJCDINPANO-WMLDXEAASA-N	0	0	357.454	2.947	10	30		FFEERN
C[C@H](C[C@H]1CCCO1)NC(=O)N1CCCN(C(=O)CC2CCCC2)CC1	ZINC000329336510	967648815	/nfs/dbraw/zinc/64/88/15/967648815.db2.gz	YAWAHOHFUHTRRM-SJLPKXTDSA-N	0	0	365.518	2.973	10	30		FFEERN
C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2nn(C)c(=O)c3ccccc32)C1	ZINC000008341673	981611193	/nfs/dbraw/zinc/61/11/93/981611193.db2.gz	DUGDKFONVZYESA-CQSZACIVSA-N	0	0	350.422	2.952	10	30		FFEERN
C#CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000104306605	1004529474	/nfs/dbraw/zinc/52/94/74/1004529474.db2.gz	XSEAONDGGGZCKE-FQEVSTJZSA-N	0	0	367.470	2.545	10	30		FFEERN
C#CCOc1ccc(NC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)cc1	ZINC000108290878	1005640685	/nfs/dbraw/zinc/64/06/85/1005640685.db2.gz	SWDVVCZNUAZQGV-AWNIVKPZSA-N	0	0	370.430	2.722	10	30		FFEERN
CC(=O)N[C@H](CC(=O)OCCOc1ccc(C#N)cc1)c1ccccc1	ZINC000009384940	1006788077	/nfs/dbraw/zinc/78/80/77/1006788077.db2.gz	PZNVLZXCJIWDIJ-LJQANCHMSA-N	0	0	352.390	2.748	10	30		FFEERN
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C(=O)c2ccccc2C1=O	ZINC000015566110	220156151	/nfs/dbraw/zinc/15/61/51/220156151.db2.gz	MZRSONOSTOMNTH-JTQLQIEISA-N	0	0	353.765	2.835	10	30		FFEERN
CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NCc1cc(C#N)ccc1F	ZINC000121293884	250683786	/nfs/dbraw/zinc/68/37/86/250683786.db2.gz	QJLSWKHUJZZFLV-OAHLLOKOSA-N	0	0	356.405	2.747	10	30		FFEERN
C#CCN(Cc1nnc2n1c1ccccc1c(=O)n2C)Cc1ccc(C)cc1	ZINC000058182868	221104496	/nfs/dbraw/zinc/10/44/96/221104496.db2.gz	IMIXUHNLOGOCSV-UHFFFAOYSA-N	0	0	371.444	2.525	10	30		FFEERN
N#Cc1ccccc1N1CCCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1	ZINC000333123973	258251207	/nfs/dbraw/zinc/25/12/07/258251207.db2.gz	GZHOOKKUXNKMJY-GJYPPUQNSA-N	0	0	359.495	2.589	10	30		FFEERN
COc1nc(N)c2c(n1)CCN(c1ccc(C3(C#N)CCCC3)cc1)C2=O	ZINC000097757707	263432002	/nfs/dbraw/zinc/43/20/02/263432002.db2.gz	NMHHAAFLTKKFIB-UHFFFAOYSA-N	0	0	363.421	2.606	10	30		FFEERN
COC(=O)c1c(I)cc(C#N)cc1OC(F)(F)F	ZINC000575392607	518209557	/nfs/dbraw/zinc/20/95/57/518209557.db2.gz	TYFOVMCGPMZYHX-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
N#Cc1ccc(OC2CCC(NC(=O)C[C@H](O)c3ccccc3)CC2)nc1	ZINC000089355464	507832384	/nfs/dbraw/zinc/83/23/84/507832384.db2.gz	JWTVQLHPLDHDLM-ACBHZAAOSA-N	0	0	365.433	2.883	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c1	ZINC000089837450	507873573	/nfs/dbraw/zinc/87/35/73/507873573.db2.gz	RPCOCTTXTXVQPW-SQUSKLHYSA-N	0	0	359.429	2.736	10	30		FFEERN
N#CCOc1cccc(CC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)c1	ZINC000089852110	507874412	/nfs/dbraw/zinc/87/44/12/507874412.db2.gz	LYYNRLXYMHYNLX-SJLPKXTDSA-N	0	0	354.406	2.839	10	30		FFEERN
N#Cc1cccc(CS(=O)(=O)N2CC=C(c3ccc(O)cc3)CC2)c1	ZINC000108399043	507892307	/nfs/dbraw/zinc/89/23/07/507892307.db2.gz	QTHZROCOCZFTEZ-UHFFFAOYSA-N	0	0	354.431	2.883	10	30		FFEERN
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1cscn1	ZINC000108612590	507908558	/nfs/dbraw/zinc/90/85/58/507908558.db2.gz	HJZURXOTQVLVCX-LLVKDONJSA-N	0	0	360.464	2.650	10	30		FFEERN
N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1	ZINC000109082033	507937062	/nfs/dbraw/zinc/93/70/62/507937062.db2.gz	JXZZNNIZVJVIAN-CVEARBPZSA-N	0	0	368.387	2.684	10	30		FFEERN
C=CCN(CCc1ccccc1)C(=O)Cc1nn(C)c(=O)c2ccccc12	ZINC000109329955	507955194	/nfs/dbraw/zinc/95/51/94/507955194.db2.gz	PPKDQNNMQROEHK-UHFFFAOYSA-N	0	0	361.445	2.733	10	30		FFEERN
N#Cc1ccc(SCC(=O)N2CCC(Nc3cccnn3)CC2)cc1	ZINC000109639419	507974377	/nfs/dbraw/zinc/97/43/77/507974377.db2.gz	SJXSUCCNNNQGJF-UHFFFAOYSA-N	0	0	353.451	2.543	10	30		FFEERN
Cc1nc(CN2CCCN(C(=O)CCc3ccc(C#N)cc3)CC2)cs1	ZINC000109650085	507974925	/nfs/dbraw/zinc/97/49/25/507974925.db2.gz	KXRVRJAVSIZVQI-UHFFFAOYSA-N	0	0	368.506	2.990	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)c1	ZINC000075177562	508087503	/nfs/dbraw/zinc/08/75/03/508087503.db2.gz	UEEPPTCOXOMYJP-IBGZPJMESA-N	0	0	367.424	2.605	10	30		FFEERN
CCCC(=O)N[C@H]1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1	ZINC000080976442	508121085	/nfs/dbraw/zinc/12/10/85/508121085.db2.gz	WHYXQPMQURMBGF-AWEZNQCLSA-N	0	0	367.409	2.900	10	30		FFEERN
C[C@H]1CC(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000093909773	508160161	/nfs/dbraw/zinc/16/01/61/508160161.db2.gz	YPZMBVSVAHRJBJ-IRXDYDNUSA-N	0	0	355.482	2.796	10	30		FFEERN
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C	ZINC000076602933	508230079	/nfs/dbraw/zinc/23/00/79/508230079.db2.gz	OWQHUPIHLOMNBP-IFXJQAMLSA-N	0	0	363.417	2.909	10	30		FFEERN
COC(=O)[C@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1	ZINC000083047869	508234931	/nfs/dbraw/zinc/23/49/31/508234931.db2.gz	YWKCOVGBAOYJMN-BFUOFWGJSA-N	0	0	352.390	2.894	10	30		FFEERN
N#Cc1cccc(S(=O)(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1	ZINC000101582090	508249077	/nfs/dbraw/zinc/24/90/77/508249077.db2.gz	ROHQZAQQDPQQRH-UHFFFAOYSA-N	0	0	371.393	2.873	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1Cl	ZINC000113889017	508284152	/nfs/dbraw/zinc/28/41/52/508284152.db2.gz	MHLKHJIPAMAJGV-HNNXBMFYSA-N	0	0	357.801	2.627	10	30		FFEERN
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2O)cc1	ZINC000103290455	508304651	/nfs/dbraw/zinc/30/46/51/508304651.db2.gz	NXGYBBKWBKCXCK-ZWKOTPCHSA-N	0	0	357.454	2.926	10	30		FFEERN
C=CCc1ccc(OCC(=O)N[C@H]2CCCn3nc(CC)nc32)c(OC)c1	ZINC000088197299	508356183	/nfs/dbraw/zinc/35/61/83/508356183.db2.gz	LSENAWBPBFXWPB-HNNXBMFYSA-N	0	0	370.453	2.608	10	30		FFEERN
C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000105284089	508368775	/nfs/dbraw/zinc/36/87/75/508368775.db2.gz	XKRFWKANLKDGDY-AWEZNQCLSA-N	0	0	370.840	2.723	10	30		FFEERN
C=CCOc1cccc(NC(=O)C(=O)N(C)CCc2ccccc2OC)c1	ZINC000105540920	508375491	/nfs/dbraw/zinc/37/54/91/508375491.db2.gz	JUJQYKVQJWJDLX-UHFFFAOYSA-N	0	0	368.433	2.900	10	30		FFEERN
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCn2nc(CC)nc21	ZINC000088755071	508382113	/nfs/dbraw/zinc/38/21/13/508382113.db2.gz	RFTYMWVFOBBHBM-QGZVFWFLSA-N	0	0	364.453	2.945	10	30		FFEERN
N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCCc3cc(F)ccc32)cc1	ZINC000153236159	508562090	/nfs/dbraw/zinc/56/20/90/508562090.db2.gz	IFYWFVLDPKQZIY-GOSISDBHSA-N	0	0	351.381	2.621	10	30		FFEERN
CCOCCN1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@H]1C	ZINC000157640127	508590941	/nfs/dbraw/zinc/59/09/41/508590941.db2.gz	CAJZOXWJZRFYON-MRXNPFEDSA-N	0	0	374.485	2.920	10	30		FFEERN
C=CCc1ccc(OCC(=O)N2CC[C@@H](Oc3cccnc3)C2)c(OC)c1	ZINC000135712596	508642672	/nfs/dbraw/zinc/64/26/72/508642672.db2.gz	YLGYWIARIKSPBY-GOSISDBHSA-N	0	0	368.433	2.877	10	30		FFEERN
C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1Br	ZINC000123191594	508649967	/nfs/dbraw/zinc/64/99/67/508649967.db2.gz	GEFHHJOYLSCCQC-BZNIZROVSA-N	0	0	350.260	2.908	10	30		FFEERN
C=C(C)COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1	ZINC000136119142	508671804	/nfs/dbraw/zinc/67/18/04/508671804.db2.gz	OJDCVADLYNRUCW-KRWDZBQOSA-N	0	0	372.490	2.798	10	30		FFEERN
CC[C@@H](C#N)NC(=O)[C@H](NC(=O)c1ccc(OC)cc1)c1ccccc1	ZINC000123498577	508696132	/nfs/dbraw/zinc/69/61/32/508696132.db2.gz	UKHAIMYLIAHHFO-FUHWJXTLSA-N	0	0	351.406	2.585	10	30		FFEERN
CC1(C)C(=N)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCO	ZINC000140161008	508800919	/nfs/dbraw/zinc/80/09/19/508800919.db2.gz	VFHCKIDEDWCBOE-UHFFFAOYSA-N	0	0	356.373	2.732	10	30		FFEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000150711855	508879279	/nfs/dbraw/zinc/87/92/79/508879279.db2.gz	XTUWBASCPARAQJ-HNNXBMFYSA-N	0	0	353.426	2.521	10	30		FFEERN
CCc1noc(C)c1NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000155462756	509006072	/nfs/dbraw/zinc/00/60/72/509006072.db2.gz	KDWOMTANOUCWSP-INIZCTEOSA-N	0	0	353.426	2.787	10	30		FFEERN
C[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccccc1Br	ZINC000126663042	509109271	/nfs/dbraw/zinc/10/92/71/509109271.db2.gz	JYYBFNWGRKVDGS-CYBMUJFWSA-N	0	0	363.259	2.756	10	30		FFEERN
CCN(C(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(C#N)cc1	ZINC000151992710	509125520	/nfs/dbraw/zinc/12/55/20/509125520.db2.gz	KPZSACDJHAFCFR-UHFFFAOYSA-N	0	0	362.433	2.859	10	30		FFEERN
Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000188692571	509215393	/nfs/dbraw/zinc/21/53/93/509215393.db2.gz	OOHYULWPUHNICL-INIZCTEOSA-N	0	0	353.353	2.584	10	30		FFEERN
C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)c1nnc2n1CCCC2	ZINC000188722011	509230791	/nfs/dbraw/zinc/23/07/91/509230791.db2.gz	ZGQJQGUPMJDZAD-CYBMUJFWSA-N	0	0	369.429	2.575	10	30		FFEERN
COc1ccnc(NC2CCN(C(=O)Nc3cc(C#N)ccc3C)CC2)n1	ZINC000191905267	509239696	/nfs/dbraw/zinc/23/96/96/509239696.db2.gz	WRLOXLSPCXTOLE-UHFFFAOYSA-N	0	0	366.425	2.774	10	30		FFEERN
C=CCOc1cccc(NC(=O)C(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1	ZINC000162891769	509315897	/nfs/dbraw/zinc/31/58/97/509315897.db2.gz	VTWCZVKJXPORHH-SFHVURJKSA-N	0	0	370.405	2.691	10	30		FFEERN
COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)COCc1ccccc1	ZINC000172963204	509325927	/nfs/dbraw/zinc/32/59/27/509325927.db2.gz	QJBXSDATIWQXPJ-HNNXBMFYSA-N	0	0	354.406	2.667	10	30		FFEERN
C=CC[C@H](CO)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1	ZINC000248489560	509342716	/nfs/dbraw/zinc/34/27/16/509342716.db2.gz	HNKCJYCDIOHCCW-YRXWBPOGSA-N	0	0	356.466	2.513	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](c3nccs3)C2)cc1	ZINC000176222816	509388203	/nfs/dbraw/zinc/38/82/03/509388203.db2.gz	RTLPHWBSWSEXMA-OAHLLOKOSA-N	0	0	361.492	2.668	10	30		FFEERN
CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc(C)c(C#N)n2)CC1	ZINC000192240972	509421707	/nfs/dbraw/zinc/42/17/07/509421707.db2.gz	NGTAOEXNPPWLNL-UHFFFAOYSA-N	0	0	358.486	2.894	10	30		FFEERN
N#Cc1ccc(N2CCC[C@@H](N3CC[C@@H](Oc4cccnc4)C3)C2=O)cc1	ZINC000182853573	509460314	/nfs/dbraw/zinc/46/03/14/509460314.db2.gz	QTVRSTQRVYIYRE-WOJBJXKFSA-N	0	0	362.433	2.602	10	30		FFEERN
CCOC(=O)[C@@H]1CC[C@H](Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1C	ZINC000186027149	509487942	/nfs/dbraw/zinc/48/79/42/509487942.db2.gz	KMBDJMCNCVWHBS-JLJPHGGASA-N	0	0	353.426	2.919	10	30		FFEERN
Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)n1	ZINC000173385361	509566728	/nfs/dbraw/zinc/56/67/28/509566728.db2.gz	FZRDBYAWAHYCDC-GFCCVEGCSA-N	0	0	372.425	2.807	10	30		FFEERN
CCO[C@@H]1C[C@@H](Nc2cnn(-c3ncccc3C#N)c2)C12CCOCC2	ZINC000186506361	509744200	/nfs/dbraw/zinc/74/42/00/509744200.db2.gz	RIUNHRQMFCRSRF-IAGOWNOFSA-N	0	0	353.426	2.525	10	30		FFEERN
Cc1ccc([C@H]2CCCCN2C(=O)CNC(=O)c2ccc(C#N)cc2)o1	ZINC000173750204	509754455	/nfs/dbraw/zinc/75/44/55/509754455.db2.gz	FJRAIUNCWVEWMM-QGZVFWFLSA-N	0	0	351.406	2.943	10	30		FFEERN
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1	ZINC000173768719	509765776	/nfs/dbraw/zinc/76/57/76/509765776.db2.gz	DONOMSYNAUWWCG-RBUKOAKNSA-N	0	0	363.417	2.611	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCC(Cn2cccn2)CC1	ZINC000173795021	509782467	/nfs/dbraw/zinc/78/24/67/509782467.db2.gz	ONAAYMFKWSMALW-UHFFFAOYSA-N	0	0	356.401	2.978	10	30		FFEERN
N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CNC(=O)C3)cc2Cl)c1	ZINC000171071540	509923674	/nfs/dbraw/zinc/92/36/74/509923674.db2.gz	IQZJLXDKICSOPA-CQSZACIVSA-N	0	0	369.808	2.865	10	30		FFEERN
N#CCOc1ccc(CNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1	ZINC000186881432	509928018	/nfs/dbraw/zinc/92/80/18/509928018.db2.gz	AAFZRLRSJZVRRW-WMZOPIPTSA-N	0	0	371.462	2.568	10	30		FFEERN
C#CCCCCNC(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000190131365	509956100	/nfs/dbraw/zinc/95/61/00/509956100.db2.gz	JXAKDKIBWXGBFO-QGZVFWFLSA-N	0	0	365.518	2.628	10	30		FFEERN
COc1cccc(C=Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1O	ZINC000257353162	509981216	/nfs/dbraw/zinc/98/12/16/509981216.db2.gz	PQJXEAFWFNALNE-UHFFFAOYSA-N	0	0	360.435	2.936	10	30		FFEERN
N#CCOc1ccccc1C(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl	ZINC000183868736	510014567	/nfs/dbraw/zinc/01/45/67/510014567.db2.gz	NAQUWFJHZGGJGN-QGZVFWFLSA-N	0	0	369.808	2.556	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](c2nncn2CC)C1	ZINC000180690798	510057931	/nfs/dbraw/zinc/05/79/31/510057931.db2.gz	CPABUVQWPXGXRA-AWEZNQCLSA-N	0	0	371.416	2.861	10	30		FFEERN
N#CC1(c2ccc(C(=O)N3CCN(c4cccs4)C(=O)C3)cc2)CC1	ZINC000184073868	510117286	/nfs/dbraw/zinc/11/72/86/510117286.db2.gz	HBJMVXPVSFZDCO-UHFFFAOYSA-N	0	0	351.431	2.792	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)c1	ZINC000171397799	510131419	/nfs/dbraw/zinc/13/14/19/510131419.db2.gz	LOZLSRONFFRUAO-SFHVURJKSA-N	0	0	368.437	2.677	10	30		FFEERN
CC(C)(C)c1csc([C@H]2CN(S(=O)(=O)CCCCC#N)CCO2)n1	ZINC000193956565	510149454	/nfs/dbraw/zinc/14/94/54/510149454.db2.gz	VLWHQWYVUHNOHK-CYBMUJFWSA-N	0	0	371.528	2.838	10	30		FFEERN
C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000187274948	510164215	/nfs/dbraw/zinc/16/42/15/510164215.db2.gz	GPTBGVIKERNZIG-QWHCGFSZSA-N	0	0	368.355	2.874	10	30		FFEERN
COc1cc(/C=C/C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)ccc1OCC#N	ZINC000246586070	510570375	/nfs/dbraw/zinc/57/03/75/510570375.db2.gz	AXXIJZAMYWSNJH-LAJTZSOWSA-N	0	0	356.422	2.685	10	30		FFEERN
CCCCCCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1	ZINC000195068983	510658017	/nfs/dbraw/zinc/65/80/17/510658017.db2.gz	ITFJWGXAAZKOPJ-UHFFFAOYSA-N	0	0	371.503	2.934	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1Cl	ZINC000246847248	510706852	/nfs/dbraw/zinc/70/68/52/510706852.db2.gz	CJXNYOFGHVDMAF-XJKSGUPXSA-N	0	0	354.859	2.527	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCN(C)c2ccccc21	ZINC000195223114	510724428	/nfs/dbraw/zinc/72/44/28/510724428.db2.gz	FMZKGYHGQFKJFP-MRXNPFEDSA-N	0	0	362.433	2.545	10	30		FFEERN
Cn1cc(C#N)cc1C(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000178829568	510793372	/nfs/dbraw/zinc/79/33/72/510793372.db2.gz	NNVNLKKUBNLABR-GJZGRUSLSA-N	0	0	363.339	2.864	10	30		FFEERN
CCn1cc([C@@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CCO2)cn1	ZINC000191764885	510821071	/nfs/dbraw/zinc/82/10/71/510821071.db2.gz	SHYBKCVKYUIHNV-SFHVURJKSA-N	0	0	368.437	2.532	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@H]2CCCn3ncnc32)cc1	ZINC000330263826	510951246	/nfs/dbraw/zinc/95/12/46/510951246.db2.gz	XBGSRIWJEHKRSV-ULQDDVLXSA-N	0	0	355.442	2.845	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](C2CCCCC2)C1	ZINC000330272241	510953778	/nfs/dbraw/zinc/95/37/78/510953778.db2.gz	XIFAAJGJISZIHE-BRWVUGGUSA-N	0	0	372.531	2.537	10	30		FFEERN
CCc1cc(=O)n2nc(N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)sc2n1	ZINC000301449810	511696590	/nfs/dbraw/zinc/69/65/90/511696590.db2.gz	PMQHNCUUODQOLG-JKSUJKDBSA-N	0	0	365.462	2.990	10	30		FFEERN
C#CCNC(=O)CNc1ccc2c(Br)ccc(Cl)c2n1	ZINC000302709295	511710203	/nfs/dbraw/zinc/71/02/03/511710203.db2.gz	DEFXNWULMVKLMF-UHFFFAOYSA-N	0	0	352.619	2.812	10	30		FFEERN
CC(=O)N[C@@]1(c2noc(C)n2)CCN(c2nc(C(C)(C)C)ns2)C1	ZINC000328610785	511894004	/nfs/dbraw/zinc/89/40/04/511894004.db2.gz	JCMRGNJRILNPTP-HNNXBMFYSA-N	0	0	350.448	2.609	10	30		FFEERN
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000328617950	511894697	/nfs/dbraw/zinc/89/46/97/511894697.db2.gz	UQOMGMHQVRKWQI-BDXSIMOUSA-N	0	0	365.518	2.732	10	30		FFEERN
Cc1c(CN[C@H](c2nc(C(C)C)no2)C2CCOCC2)cc(C#N)n1C	ZINC000328642240	511904323	/nfs/dbraw/zinc/90/43/23/511904323.db2.gz	YITCFKYCUYXMKJ-KRWDZBQOSA-N	0	0	357.458	2.969	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H](c3nc(C)no3)C1)CCC2	ZINC000328656234	511909255	/nfs/dbraw/zinc/90/92/55/511909255.db2.gz	NNTZYOYNAYKPTL-LSDHHAIUSA-N	0	0	358.446	2.554	10	30		FFEERN
CN1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@H]2O)[C@H]1c1ccc(Cl)cc1	ZINC000328830399	511937629	/nfs/dbraw/zinc/93/76/29/511937629.db2.gz	JXCLWXOQVIJPHV-QSPRXWTASA-N	0	0	351.878	2.750	10	30		FFEERN
CN1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000328848233	511940126	/nfs/dbraw/zinc/94/01/26/511940126.db2.gz	QZXMPGVXLQOEBE-DQYPLSBCSA-N	0	0	369.868	2.843	10	30		FFEERN
O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)N[C@@H]1CCO[C@@H]1C1CC1	ZINC000328858480	511941560	/nfs/dbraw/zinc/94/15/60/511941560.db2.gz	YGMQXRYKEMCGAN-IIAWOOMASA-N	0	0	363.845	2.516	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)NCCOc3cccc4ccccc43)C[C@@H]21	ZINC000328887030	511946265	/nfs/dbraw/zinc/94/62/65/511946265.db2.gz	PCHILMOEUUJFMK-AZUAARDMSA-N	0	0	369.465	2.538	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)c3ccccc31)CCC2	ZINC000328904128	511947875	/nfs/dbraw/zinc/94/78/75/511947875.db2.gz	IWAHSEKDLUSYRF-GOEBONIOSA-N	0	0	373.478	2.987	10	30		FFEERN
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1	ZINC000328929167	511952767	/nfs/dbraw/zinc/95/27/67/511952767.db2.gz	ABYVWUUKWKQWEP-GZOSKZMVSA-N	0	0	365.499	2.899	10	30		FFEERN
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1	ZINC000328970572	511957826	/nfs/dbraw/zinc/95/78/26/511957826.db2.gz	UVMWXDPHWBMXBE-MSOLQXFVSA-N	0	0	372.469	2.943	10	30		FFEERN
CC[C@H](C)n1ncc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1C1CC1	ZINC000328978107	511959579	/nfs/dbraw/zinc/95/95/79/511959579.db2.gz	QSKXHIHZZTUMRF-IAOVAPTHSA-N	0	0	361.490	2.682	10	30		FFEERN
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H](C)N1CCOCC1	ZINC000328977060	511959954	/nfs/dbraw/zinc/95/99/54/511959954.db2.gz	WPLAJNNBXLRLEW-LZLYRXPVSA-N	0	0	364.490	2.609	10	30		FFEERN
CO[C@H]1C[C@@H](CO)N(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1	ZINC000328996215	511964922	/nfs/dbraw/zinc/96/49/22/511964922.db2.gz	GPOTZJIECNGGRN-ZOBUZTSGSA-N	0	0	360.454	2.819	10	30		FFEERN
CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)[C@@H]1c1ccccc1	ZINC000329073336	511978307	/nfs/dbraw/zinc/97/83/07/511978307.db2.gz	OUHXSWIXHROVPE-VDGAXYAQSA-N	0	0	368.481	2.933	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)NCc3cccc(-c4ccccn4)c3)C[C@H]21	ZINC000329079734	511979761	/nfs/dbraw/zinc/97/97/61/511979761.db2.gz	RBMKIGCJTNDGPN-WOJBJXKFSA-N	0	0	366.465	2.568	10	30		FFEERN
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@H](c2nccs2)C1	ZINC000329110432	511984339	/nfs/dbraw/zinc/98/43/39/511984339.db2.gz	JJQZXGQKISHMQV-JJRVBVJISA-N	0	0	351.472	2.575	10	30		FFEERN
C[C@H](CNC(=O)[C@@H]1CCCCC(=O)N1)N(C)C(=O)[C@H]1CCCCC(=O)N1	ZINC000329121995	511987224	/nfs/dbraw/zinc/98/72/24/511987224.db2.gz	WNAKFXDNNDFGQT-HZSPNIEDSA-N	0	0	366.462	2.588	10	30		FFEERN
O=C(CN1CCc2cncnc2C1)Nc1ccc(N2CCCCC2)nc1	ZINC000329176844	511998730	/nfs/dbraw/zinc/99/87/30/511998730.db2.gz	MXCUQJWUASSPOY-UHFFFAOYSA-N	0	0	352.442	2.508	10	30		FFEERN
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1ccc(F)cc1F	ZINC000329207766	512004659	/nfs/dbraw/zinc/00/46/59/512004659.db2.gz	FIGGPPBUVXSLIS-HYEYJGRESA-N	0	0	354.397	2.802	10	30		FFEERN
CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCCN2C2CCCC2)C1	ZINC000329265716	512016224	/nfs/dbraw/zinc/01/62/24/512016224.db2.gz	FJWORJUEEDCRSE-NVXWUHKLSA-N	0	0	365.518	2.623	10	30		FFEERN
CN(C)[C@@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1c(F)cccc1F	ZINC000329330283	512028098	/nfs/dbraw/zinc/02/80/98/512028098.db2.gz	YXSAYTQLLMOLEO-DFBGVHRSSA-N	0	0	366.412	2.532	10	30		FFEERN
Cc1cccc([C@@H]2CCCCN2C(=O)N[C@H]2COC[C@H]2n2ccnn2)c1C	ZINC000329390245	512038436	/nfs/dbraw/zinc/03/84/36/512038436.db2.gz	SEWUGGHFPVUHSX-GBESFXJTSA-N	0	0	369.469	2.976	10	30		FFEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@H](C2CCCCC2)C1	ZINC000329615680	512077088	/nfs/dbraw/zinc/07/70/88/512077088.db2.gz	SIAMVNCBHVIVOP-HOTGVXAUSA-N	0	0	361.490	2.871	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1	ZINC000329617140	512077887	/nfs/dbraw/zinc/07/78/87/512077887.db2.gz	QAWNPPQODFAQPI-YVSFHVDLSA-N	0	0	374.485	2.681	10	30		FFEERN
O=C(N[C@@H]1CCc2c1cccc2F)N[C@@H]1CCCN(c2cccnc2)C1=O	ZINC000329642131	512081892	/nfs/dbraw/zinc/08/18/92/512081892.db2.gz	IMQAPWZZYDLRTD-QZTJIDSGSA-N	0	0	368.412	2.907	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)c1ccnc(O[C@H]3CCOC3)c1)CCC2	ZINC000329653428	512083037	/nfs/dbraw/zinc/08/30/37/512083037.db2.gz	DUMUSKWSKHMOER-HOTGVXAUSA-N	0	0	356.426	2.636	10	30		FFEERN
NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)c1	ZINC000329722604	512089950	/nfs/dbraw/zinc/08/99/50/512089950.db2.gz	BBWAAHGJISTRMH-NRSFXHEJSA-N	0	0	373.453	2.826	10	30		FFEERN
N#CC1(CS(=O)(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)CCCCC1	ZINC000408027833	512986300	/nfs/dbraw/zinc/98/63/00/512986300.db2.gz	MUVPMIPGXMZCTB-IRXDYDNUSA-N	0	0	366.458	2.737	10	30		FFEERN
CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2ccc(F)c(C#N)c2)C1	ZINC000548010382	516693518	/nfs/dbraw/zinc/69/35/18/516693518.db2.gz	BVUHWLMMNUSQMD-SFHVURJKSA-N	0	0	358.442	2.700	10	30		FFEERN
CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2ccc(C#N)cc2F)C1	ZINC000548337702	516911622	/nfs/dbraw/zinc/91/16/22/516911622.db2.gz	RCGHVCPHLSFEII-SFHVURJKSA-N	0	0	358.442	2.700	10	30		FFEERN
N#CCC(=O)[C@H]1CCCN(c2ccc(I)cc2)C1=O	ZINC000536950262	516989606	/nfs/dbraw/zinc/98/96/06/516989606.db2.gz	IENZTTHYYIWNDY-GFCCVEGCSA-N	0	0	368.174	2.517	10	30		FFEERN
N#CCc1c(I)ccc(OC(F)F)c1[N+](=O)[O-]	ZINC000575666274	518245010	/nfs/dbraw/zinc/24/50/10/518245010.db2.gz	HCGZRFWTDZENJG-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
CCOc1ccc(/C=N/O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1	ZINC000003412304	520854523	/nfs/dbraw/zinc/85/45/23/520854523.db2.gz	QCNPGVAZQFRHMP-OFJBCHTGSA-N	0	0	370.405	2.869	10	30		FFEERN
C[C@H]1CC[C@H](NC(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)CC1	ZINC000328619786	524377589	/nfs/dbraw/zinc/37/75/89/524377589.db2.gz	GFFWQYFPDGSLQT-BQFCYCMXSA-N	0	0	373.501	2.943	10	30		FFEERN
Cc1c([C@@H]2[C@H](C(=O)N[C@H]3CCc4ccccc4C3)CC(=O)N2C)cnn1C	ZINC000330287379	568121811	/nfs/dbraw/zinc/12/18/11/568121811.db2.gz	CJJUABPNHHGRCY-QKLQHJQFSA-N	0	0	366.465	2.762	10	30		FFEERN
Cn1cc([C@H]2OCCC[C@@H]2NC(=O)Cc2ccc3c(c2)NC(=O)C3)cn1	ZINC000330340101	568266949	/nfs/dbraw/zinc/26/69/49/568266949.db2.gz	XNAYFFLSWBNJHH-HNAYVOBHSA-N	0	0	354.410	2.984	10	30		FFEERN
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C(=O)N1CCCC1	ZINC000155452247	728829128	/nfs/dbraw/zinc/82/91/28/728829128.db2.gz	PWYQUUXJJGPBPW-QLFBSQMISA-N	0	0	361.239	2.884	10	30		FFEERN
N#C[C@H](COC(=O)Cn1ccc(=O)c2ccccc21)Cc1cccs1	ZINC000089293719	728441228	/nfs/dbraw/zinc/44/12/28/728441228.db2.gz	RNTYUJRBGQBOFW-CQSZACIVSA-N	0	0	352.415	2.989	10	30		FFEERN
C=C(Cl)Cn1nc2n(c1=S)c1ccccc1c(=O)n2CCCOC	ZINC000095469478	728480410	/nfs/dbraw/zinc/48/04/10/728480410.db2.gz	PBSDADJQPBLQAS-UHFFFAOYSA-N	0	0	364.858	2.969	10	30		FFEERN
C#CCOc1ccccc1OC(=O)c1ccc(-n2cnnn2)cc1Cl	ZINC000107192267	728515245	/nfs/dbraw/zinc/51/52/45/728515245.db2.gz	ZUZWCZDHSDJDDC-UHFFFAOYSA-N	0	0	354.753	2.547	10	30		FFEERN
C=C(Br)CNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000123822770	728662975	/nfs/dbraw/zinc/66/29/75/728662975.db2.gz	TYHKLZSZYMBREJ-GWCFXTLKSA-N	0	0	361.186	2.691	10	30		FFEERN
COC(=O)C1CCC(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)CC1	ZINC000181010556	729231009	/nfs/dbraw/zinc/23/10/09/729231009.db2.gz	TVGHOJKXQBHGGO-QOZQQMKHSA-N	0	0	362.813	2.967	10	30		FFEERN
O=C(Nc1cc2c(cc1Cl)OCCCO2)N1CCc2cncnc2C1	ZINC000329275761	729797033	/nfs/dbraw/zinc/79/70/33/729797033.db2.gz	JZMYFOQJHKUGEF-UHFFFAOYSA-N	0	0	360.801	2.895	10	30		FFEERN
O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)N1CC[C@H]2CCC[C@H]21	ZINC000330233826	729800590	/nfs/dbraw/zinc/80/05/90/729800590.db2.gz	GCSKVHGGHVVRDF-MLGOLLRUSA-N	0	0	367.446	2.786	10	30		FFEERN
Cc1c2ccccc2oc1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1	ZINC000328911135	965048580	/nfs/dbraw/zinc/04/85/80/965048580.db2.gz	GECKVJLLOPVCKF-UHFFFAOYSA-N	0	0	369.465	2.990	10	30		FFEERN
Cc1cnc([C@H](C)NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccnn2C)o1	ZINC000328932670	965064035	/nfs/dbraw/zinc/06/40/35/965064035.db2.gz	BPMFAKCEXPOKRW-QEORTHHSSA-N	0	0	371.441	2.876	10	30		FFEERN
CC(=O)N1CCN(CCNC(=O)c2cccc(OC3CCCCC3)c2)CC1	ZINC000329690209	967943729	/nfs/dbraw/zinc/94/37/29/967943729.db2.gz	VYEQBYPBVGQUPB-UHFFFAOYSA-N	0	0	373.497	2.867	10	30		FFEERN
Cn1ccnc1[C@H]1CN(C(=O)NC2CCC(C(F)(F)F)CC2)CCN1C	ZINC000329998015	969690326	/nfs/dbraw/zinc/69/03/26/969690326.db2.gz	ROLMMJHATAJPDD-JXQTWKCFSA-N	0	0	373.423	2.744	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1C	ZINC000003459816	1004252125	/nfs/dbraw/zinc/25/21/25/1004252125.db2.gz	POHBLMQQTKZPDM-NRFANRHFSA-N	0	0	365.433	2.941	10	30		FFEERN
C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1cncc(C(=O)NC)c1	ZINC000110256539	1005919024	/nfs/dbraw/zinc/91/90/24/1005919024.db2.gz	LJDRPJODTHGPKM-BQYQJAHWSA-N	0	0	360.417	2.541	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)N2CCCN(C(=O)c3ccccc3)CC2)c1	ZINC000033014877	249367003	/nfs/dbraw/zinc/36/70/03/249367003.db2.gz	WSESHKVZULHSSA-ZHACJKMWSA-N	0	0	359.429	2.946	10	30		FFEERN
COc1cc(C#N)ccc1OCC(=O)Nc1cccc(-c2ncon2)c1	ZINC000101525778	250074605	/nfs/dbraw/zinc/07/46/05/250074605.db2.gz	WEAQGPRGBIXWED-UHFFFAOYSA-N	0	0	350.334	2.634	10	30		FFEERN
CC[C@H](O)CN1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1	ZINC000106395147	250267788	/nfs/dbraw/zinc/26/77/88/250267788.db2.gz	FNEYDPDBLXIVLG-SFHVURJKSA-N	0	0	363.461	2.754	10	30		FFEERN
C=CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)CCC)cc2)C1	ZINC000021706062	220363832	/nfs/dbraw/zinc/36/38/32/220363832.db2.gz	HFZQTOMCIMELLF-INIZCTEOSA-N	0	0	357.454	2.580	10	30		FFEERN
CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000038205058	220850851	/nfs/dbraw/zinc/85/08/51/220850851.db2.gz	MFQXOPZLTSALIL-MFOYZWKCSA-N	0	0	368.802	2.732	10	30		FFEERN
COCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(N(C)C)cc1	ZINC000040358405	220901365	/nfs/dbraw/zinc/90/13/65/220901365.db2.gz	LHTRVHFHLHJXPP-SFHVURJKSA-N	0	0	360.454	2.710	10	30		FFEERN
COc1cc(C=NNC(=N)N)ccc1OC(=O)c1ccc(C(C)(C)C)cc1	ZINC000048512776	221013302	/nfs/dbraw/zinc/01/33/02/221013302.db2.gz	LDNFINVQPNASIO-FSJBWODESA-N	0	0	368.437	2.819	10	30		FFEERN
CCc1cc(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n2ncnc2n1	ZINC000301208238	258034180	/nfs/dbraw/zinc/03/41/80/258034180.db2.gz	RWGQFQLHNGNMEO-OAHLLOKOSA-N	0	0	365.416	2.778	10	30		FFEERN
N#Cc1cc(C(F)(F)F)ccc1N1CCN(C(=O)c2cccnc2)CC1	ZINC000301624163	258059437	/nfs/dbraw/zinc/05/94/37/258059437.db2.gz	PAFRODIKLJVQNU-UHFFFAOYSA-N	0	0	360.339	2.934	10	30		FFEERN
CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1Cl	ZINC000005612716	263342089	/nfs/dbraw/zinc/34/20/89/263342089.db2.gz	NKRKRZFNJVJDBO-RQZCQDPDSA-N	0	0	368.802	2.732	10	30		FFEERN
COC(=O)c1c(I)c(C#N)ccc1C(F)(F)F	ZINC000575392613	518209275	/nfs/dbraw/zinc/20/92/75/518209275.db2.gz	JEZIDUVIIFYQFB-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
N=C(NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1nonc1N	ZINC000004819588	506396459	/nfs/dbraw/zinc/39/64/59/506396459.db2.gz	JJKXDJLNNVXIAK-SWNXQHNESA-N	0	0	365.180	2.958	10	30		FFEERN
C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NCc1ccc2c(c1)OCO2	ZINC000007840935	506596140	/nfs/dbraw/zinc/59/61/40/506596140.db2.gz	QKEGLQPKTPURCG-UHFFFAOYSA-N	0	0	370.361	2.747	10	30		FFEERN
COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ncon2)cc1	ZINC000107107393	507835587	/nfs/dbraw/zinc/83/55/87/507835587.db2.gz	ZSSROUXYXOVBMT-UHFFFAOYSA-N	0	0	362.389	2.897	10	30		FFEERN
CCn1cnnc1C1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1	ZINC000107305642	507842775	/nfs/dbraw/zinc/84/27/75/507842775.db2.gz	FXEPBCYVRRXCEG-ZDUSSCGKSA-N	0	0	370.457	2.586	10	30		FFEERN
N#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C1CC1	ZINC000108827655	507920570	/nfs/dbraw/zinc/92/05/70/507920570.db2.gz	RXVGMMLPXDBSIP-YGRLFVJLSA-N	0	0	352.221	2.765	10	30		FFEERN
N#C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C1CC1	ZINC000108838177	507921429	/nfs/dbraw/zinc/92/14/29/507921429.db2.gz	PWHMEIDELXCPPC-LJQANCHMSA-N	0	0	373.412	2.557	10	30		FFEERN
Cc1c(C(=O)N[C@@H](C#N)C2CC2)cnn1-c1cccc(Br)c1	ZINC000108834017	507921562	/nfs/dbraw/zinc/92/15/62/507921562.db2.gz	OATIYNOTTKNOIS-HNNXBMFYSA-N	0	0	359.227	2.975	10	30		FFEERN
CN(C[C@@H]1CCCOC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000109363112	507957439	/nfs/dbraw/zinc/95/74/39/507957439.db2.gz	IDPDYYQLPIGXQE-IRXDYDNUSA-N	0	0	374.460	2.734	10	30		FFEERN
Cc1ncc(CN2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)s1	ZINC000110940178	508057727	/nfs/dbraw/zinc/05/77/27/508057727.db2.gz	RWFGBXLPUSCGBI-UHFFFAOYSA-N	0	0	372.519	2.760	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1	ZINC000112125842	508153429	/nfs/dbraw/zinc/15/34/29/508153429.db2.gz	QQCBBVJMBXFFKH-SFHVURJKSA-N	0	0	356.426	2.689	10	30		FFEERN
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2[C@@H](C)COC[C@@H]2C)c1C#N	ZINC000077366586	508306424	/nfs/dbraw/zinc/30/64/24/508306424.db2.gz	JEDOZPXVLWMOQY-KBPBESRZSA-N	0	0	370.453	2.666	10	30		FFEERN
C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc(C(C)(C)C)cc1	ZINC000086449282	508326631	/nfs/dbraw/zinc/32/66/31/508326631.db2.gz	IFPWLBBMYXMSHR-AWEZNQCLSA-N	0	0	367.453	2.910	10	30		FFEERN
Cc1ccc2oc(N3CCN(C[C@H](O)c4ccc(C#N)cc4)CC3)nc2c1	ZINC000127426032	508447899	/nfs/dbraw/zinc/44/78/99/508447899.db2.gz	FOWBHQAGMDPRAF-IBGZPJMESA-N	0	0	362.433	2.864	10	30		FFEERN
C=CCOc1ccc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1	ZINC000122248483	508505776	/nfs/dbraw/zinc/50/57/76/508505776.db2.gz	QXUCMZYESKNJME-KRWDZBQOSA-N	0	0	352.438	2.782	10	30		FFEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(c2cc[nH]n2)CC1	ZINC000157805952	508615046	/nfs/dbraw/zinc/61/50/46/508615046.db2.gz	PGMRNWTVVUTDCR-UHFFFAOYSA-N	0	0	350.831	2.503	10	30		FFEERN
Cc1cnn(CCNC(=O)c2ccc(COc3ccccc3C#N)o2)c1	ZINC000117808932	508619523	/nfs/dbraw/zinc/61/95/23/508619523.db2.gz	GXRGYEMPBIHBPR-UHFFFAOYSA-N	0	0	350.378	2.665	10	30		FFEERN
CC(C)[C@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)C(N)=O	ZINC000135539821	508619783	/nfs/dbraw/zinc/61/97/83/508619783.db2.gz	PIZFDKXTQQRVIH-SFHVURJKSA-N	0	0	350.422	2.534	10	30		FFEERN
N#Cc1ccc(CSCC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1	ZINC000135709769	508642951	/nfs/dbraw/zinc/64/29/51/508642951.db2.gz	PBTHULUDXNAWIO-SFHVURJKSA-N	0	0	353.447	2.866	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1	ZINC000123363053	508675154	/nfs/dbraw/zinc/67/51/54/508675154.db2.gz	SGECBGJCAUMUGB-KKSFZXQISA-N	0	0	372.465	2.734	10	30		FFEERN
COCc1nc2n(n1)CCC[C@H]2NCc1cccc(OCCCC#N)c1	ZINC000153977273	508690491	/nfs/dbraw/zinc/69/04/91/508690491.db2.gz	HKINNOLJCIOTGX-QGZVFWFLSA-N	0	0	355.442	2.732	10	30		FFEERN
C=CCNc1ncc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)s1	ZINC000129385377	508721115	/nfs/dbraw/zinc/72/11/15/508721115.db2.gz	CPOIWCYKSPPQIU-LBPRGKRZSA-N	0	0	366.487	2.870	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1cccc(C)c1C#N	ZINC000137468625	508757054	/nfs/dbraw/zinc/75/70/54/508757054.db2.gz	BAWCUNMRPFLVLE-INIZCTEOSA-N	0	0	358.467	2.743	10	30		FFEERN
CCOC(=O)C(=CNC1CC1)C(=O)c1ccc(F)c(OC)c1OCC	ZINC000137893639	508766417	/nfs/dbraw/zinc/76/64/17/508766417.db2.gz	WBNXLWBMZBXPQD-JLHYYAGUSA-N	0	0	351.374	2.615	10	30		FFEERN
CCn1cc(C2CCN(S(=O)(=O)c3cc(C#N)ccc3C)CC2)cn1	ZINC000159285125	508819265	/nfs/dbraw/zinc/81/92/65/508819265.db2.gz	JNRSKNAGHVKKMP-UHFFFAOYSA-N	0	0	358.467	2.651	10	30		FFEERN
C=CCC[C@H](NC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1)c1ccccc1	ZINC000131034706	508879376	/nfs/dbraw/zinc/87/93/76/508879376.db2.gz	IHFFRRQFUBIEBA-IRXDYDNUSA-N	0	0	355.442	2.904	10	30		FFEERN
Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)C#N)c2)c1	ZINC000125729546	509022431	/nfs/dbraw/zinc/02/24/31/509022431.db2.gz	JXYPVPUJQLHMTN-CQSZACIVSA-N	0	0	357.435	2.746	10	30		FFEERN
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N(CCC#N)Cc2ccccn2)C1	ZINC000151639817	509057575	/nfs/dbraw/zinc/05/75/75/509057575.db2.gz	RBDHRRHQWBEYRF-OAHLLOKOSA-N	0	0	358.442	2.581	10	30		FFEERN
CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCNC(=O)C2N=CC=CC2=O)cc1	ZINC000151852283	509096846	/nfs/dbraw/zinc/09/68/46/509096846.db2.gz	ZWEVUNMAOSCIOL-SFEXGQDGSA-N	0	0	367.449	2.556	10	30		FFEERN
O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CCc2ncnn2C1	ZINC000161336913	509103883	/nfs/dbraw/zinc/10/38/83/509103883.db2.gz	ZQPOZEQFGMKALL-IBGZPJMESA-N	0	0	357.417	2.814	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Cc1cccc(OCC#N)c1	ZINC000126629091	509104942	/nfs/dbraw/zinc/10/49/42/509104942.db2.gz	CEOOSXXJUAILDX-SFHVURJKSA-N	0	0	352.438	2.846	10	30		FFEERN
Cc1ncc(CN2CCN(CCCOc3cccc(C#N)c3)CC2)s1	ZINC000156144936	509133782	/nfs/dbraw/zinc/13/37/82/509133782.db2.gz	MOUVMAKENNJFFC-UHFFFAOYSA-N	0	0	356.495	2.910	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](NC(=O)CCC)C1	ZINC000126940642	509150348	/nfs/dbraw/zinc/15/03/48/509150348.db2.gz	LTMXJNBEKOQCDI-HNNXBMFYSA-N	0	0	360.454	2.781	10	30		FFEERN
N#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	ZINC000161914652	509163995	/nfs/dbraw/zinc/16/39/95/509163995.db2.gz	WWRXIFVNLDFVCE-QUUFEMHMSA-N	0	0	355.482	2.612	10	30		FFEERN
CC(=O)N1CCC(C(=O)NCc2ccc(C#N)cc2)(c2ccccc2)CC1	ZINC000247908923	509189429	/nfs/dbraw/zinc/18/94/29/509189429.db2.gz	DCRKOEPYEHTLIT-UHFFFAOYSA-N	0	0	361.445	2.755	10	30		FFEERN
N#CCCCOc1cccnc1NC(=O)N[C@H]1Cc2ccccc2[C@@H]1O	ZINC000188706063	509223920	/nfs/dbraw/zinc/22/39/20/509223920.db2.gz	XGJPDNXDGWSETB-RDJZCZTQSA-N	0	0	352.394	2.544	10	30		FFEERN
Cc1cccc(/C=C/C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000192119728	509354275	/nfs/dbraw/zinc/35/42/75/509354275.db2.gz	WLTZMDWFJBPAND-SQUSKLHYSA-N	0	0	359.429	2.797	10	30		FFEERN
C=CC[C@H](CO)NC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1	ZINC000248591933	509380212	/nfs/dbraw/zinc/38/02/12/509380212.db2.gz	HGFWKQWEKRZCAQ-SZVBFZGTSA-N	0	0	362.470	2.548	10	30		FFEERN
C=CCn1c(S[C@@H](C(=O)N[C@H](C)c2ccccc2)C(C)C)n[nH]c1=O	ZINC000163760002	509420940	/nfs/dbraw/zinc/42/09/40/509420940.db2.gz	LYLVTLHGMXHYKU-UKRRQHHQSA-N	0	0	360.483	2.752	10	30		FFEERN
CCO[C@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C12CCOCC2	ZINC000189167551	509447820	/nfs/dbraw/zinc/44/78/20/509447820.db2.gz	PRCOEQZGRIBOAH-ROUUACIJSA-N	0	0	354.450	2.680	10	30		FFEERN
Cc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2)N2CCOCC2)s1	ZINC000176553843	509579889	/nfs/dbraw/zinc/57/98/89/509579889.db2.gz	HPSKSYXQZYTIOO-KRWDZBQOSA-N	0	0	355.463	2.732	10	30		FFEERN
C[C@H]1CN([C@H](CNC(=O)c2ccc(C#N)c(O)c2)c2cccs2)CCO1	ZINC000249088342	509599410	/nfs/dbraw/zinc/59/94/10/509599410.db2.gz	MXYFKLYOXPWRJF-XJKSGUPXSA-N	0	0	371.462	2.517	10	30		FFEERN
C[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@@H]1N1CCOCC1	ZINC000176705692	509650863	/nfs/dbraw/zinc/65/08/63/509650863.db2.gz	ZDYXTMNCADMTSK-SJCJKPOMSA-N	0	0	358.392	2.542	10	30		FFEERN
C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1Br	ZINC000170655422	509700050	/nfs/dbraw/zinc/70/00/50/509700050.db2.gz	VTHCCSKGYLBLRL-SNVBAGLBSA-N	0	0	366.240	2.755	10	30		FFEERN
Cc1sc(NC(=O)CN2CCC(c3ccnn3C)CC2)c(C#N)c1C	ZINC000177091570	509866703	/nfs/dbraw/zinc/86/67/03/509866703.db2.gz	RPXHSBSMYQHQOX-UHFFFAOYSA-N	0	0	357.483	2.788	10	30		FFEERN
COc1cccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)c1O	ZINC000254468507	509907385	/nfs/dbraw/zinc/90/73/85/509907385.db2.gz	ZVMUWRDJPOIOAI-UHFFFAOYSA-N	0	0	356.403	2.866	10	30		FFEERN
N#Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)ccc1Cl	ZINC000190132789	509956352	/nfs/dbraw/zinc/95/63/52/509956352.db2.gz	MYIZEJXHMNWHAZ-HNNXBMFYSA-N	0	0	357.801	2.627	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C12CCOCC2	ZINC000187094491	510053223	/nfs/dbraw/zinc/05/32/23/510053223.db2.gz	SNGDNGORVGSZBN-ZWKOTPCHSA-N	0	0	372.465	2.806	10	30		FFEERN
CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CCCN(c2cccnn2)C1	ZINC000187114511	510065504	/nfs/dbraw/zinc/06/55/04/510065504.db2.gz	KPZVCTZZVDITGG-SFHVURJKSA-N	0	0	361.449	2.507	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N[C@H]2COc3ccccc32)cc1C(F)(F)F	ZINC000177654718	510182914	/nfs/dbraw/zinc/18/29/14/510182914.db2.gz	DDMYQJTYPZWFNE-AWEZNQCLSA-N	0	0	368.336	2.989	10	30		FFEERN
CCCC(=O)N[C@H]1CCCN(C(=O)Nc2ccccc2O[C@H](C)C#N)C1	ZINC000184355927	510281285	/nfs/dbraw/zinc/28/12/85/510281285.db2.gz	DOGVQPLPGQEWSK-CABCVRRESA-N	0	0	358.442	2.890	10	30		FFEERN
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCO[C@H](c2nccs2)C1	ZINC000171665030	510293184	/nfs/dbraw/zinc/29/31/84/510293184.db2.gz	KPGFEELKFKFXSW-WBVHZDCISA-N	0	0	370.478	2.852	10	30		FFEERN
N#Cc1cccc(OCCCCC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1	ZINC000181396831	510390068	/nfs/dbraw/zinc/39/00/68/510390068.db2.gz	LXQXQBTZAZSLGB-QGZVFWFLSA-N	0	0	353.426	2.979	10	30		FFEERN
C=CCOc1cccc(CNc2ncn(CC(=O)N3CCCCCC3)n2)c1	ZINC000187994423	510539054	/nfs/dbraw/zinc/53/90/54/510539054.db2.gz	KQTWLOBROOOHAF-UHFFFAOYSA-N	0	0	369.469	2.858	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nncn2CC)C1	ZINC000188135405	510610994	/nfs/dbraw/zinc/61/09/94/510610994.db2.gz	WPEWIYXKJSSEAV-OAHLLOKOSA-N	0	0	353.426	2.722	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000178551215	510658386	/nfs/dbraw/zinc/65/83/86/510658386.db2.gz	XCFXAMVXUOJWRQ-INIZCTEOSA-N	0	0	355.419	2.907	10	30		FFEERN
C=CCOc1ccc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cc1OC	ZINC000195291942	510766153	/nfs/dbraw/zinc/76/61/53/510766153.db2.gz	QYRPVJPIYIQFHR-OAHLLOKOSA-N	0	0	370.453	2.720	10	30		FFEERN
C[C@@H]1CN([C@@H](CNC(=O)c2ccc(C#N)c(O)c2)c2cccs2)CCO1	ZINC000188612465	510842900	/nfs/dbraw/zinc/84/29/00/510842900.db2.gz	MXYFKLYOXPWRJF-CJNGLKHVSA-N	0	0	371.462	2.517	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)C12CCOCC2	ZINC000329913532	510876002	/nfs/dbraw/zinc/87/60/02/510876002.db2.gz	BXCNMTKWRNUQHV-APIJFGDWSA-N	0	0	353.463	2.558	10	30		FFEERN
CC[C@@H]1CN(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)CCS1	ZINC000330022871	510901827	/nfs/dbraw/zinc/90/18/27/510901827.db2.gz	HTMNHPMGZTUJBY-JZXOWHBKSA-N	0	0	361.511	2.947	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@H]2CCCCS2)CC(=O)N1C	ZINC000330132956	510922214	/nfs/dbraw/zinc/92/22/14/510922214.db2.gz	LSMRQNADCUMNON-XJKCOSOUSA-N	0	0	350.488	2.551	10	30		FFEERN
C[C@H](COCc1ccccc1)NC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1	ZINC000330137298	510923353	/nfs/dbraw/zinc/92/33/53/510923353.db2.gz	UVGIRYQVRLMCRD-FUHIMQAGSA-N	0	0	362.470	2.776	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@H]21	ZINC000284482780	511740951	/nfs/dbraw/zinc/74/09/51/511740951.db2.gz	BBZYASFKGUFWEQ-HUUCEWRRSA-N	0	0	368.359	2.514	10	30		FFEERN
N#Cc1nccnc1N1CCC[C@H](c2nn(-c3ccccc3)cc2C(N)=O)C1	ZINC000328607300	511892060	/nfs/dbraw/zinc/89/20/60/511892060.db2.gz	VIFUAKWKADARCY-AWEZNQCLSA-N	0	0	373.420	2.801	10	30		FFEERN
Cc1n[nH]cc1C[NH+]=C([O-])N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000328616660	511893810	/nfs/dbraw/zinc/89/38/10/511893810.db2.gz	BYUGWURHXBNZDN-LLVKDONJSA-N	0	0	370.379	2.542	10	30		FFEERN
CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC(=O)NC12CCC2	ZINC000328711586	511918739	/nfs/dbraw/zinc/91/87/39/511918739.db2.gz	BFUIPESRNIIRGW-XQQFMLRXSA-N	0	0	353.488	2.932	10	30		FFEERN
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)C(=O)N1c1ccccc1	ZINC000328736275	511922849	/nfs/dbraw/zinc/92/28/49/511922849.db2.gz	JOCPLXWNHBYXSI-KBMXLJTQSA-N	0	0	370.453	2.726	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CCN1CC(F)(F)F	ZINC000328738881	511924275	/nfs/dbraw/zinc/92/42/75/511924275.db2.gz	KYMCZRJNTDJCQI-NEPJUHHUSA-N	0	0	362.396	2.510	10	30		FFEERN
C[C@H](CC1CC1)NC(=O)N1CCOC[C@@H]1c1ncnn1-c1ccccc1	ZINC000328874041	511943297	/nfs/dbraw/zinc/94/32/97/511943297.db2.gz	JIBSLSMUTMWQJC-RHSMWYFYSA-N	0	0	355.442	2.743	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1cnc([C@@H]2CCCO2)s1	ZINC000328929639	511951717	/nfs/dbraw/zinc/95/17/17/511951717.db2.gz	HDIBCNNWQRKTRK-CORIIIEPSA-N	0	0	362.455	2.811	10	30		FFEERN
COc1ccc2c(c1)OC[C@H]([NH+]=C([O-])NC[C@@H]1CCCn3cc(C)nc31)C2	ZINC000329032903	511971118	/nfs/dbraw/zinc/97/11/18/511971118.db2.gz	XQDUHVAQSUNDOD-JKSUJKDBSA-N	0	0	370.453	2.585	10	30		FFEERN
CC[C@@H]1CCc2nc(NC(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)sc2C1	ZINC000329123416	511986881	/nfs/dbraw/zinc/98/68/81/511986881.db2.gz	LKVDEQWWZYHZGG-SNPRPXQTSA-N	0	0	364.515	2.608	10	30		FFEERN
COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000329134784	511989705	/nfs/dbraw/zinc/98/97/05/511989705.db2.gz	ZUEWHICNOIQCIO-BPAFIMBUSA-N	0	0	360.454	2.914	10	30		FFEERN
CN1CCO[C@H]2CCN(C(=O)Nc3nc4c(s3)CCCCCC4)C[C@H]21	ZINC000329133254	511990077	/nfs/dbraw/zinc/99/00/77/511990077.db2.gz	PMNZAWDLUJGDDO-CABCVRRESA-N	0	0	364.515	2.753	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N[C@@H]2CCCC(C)(C)C2)CC(=O)N1C1CC1	ZINC000329160809	511996022	/nfs/dbraw/zinc/99/60/22/511996022.db2.gz	DYCNIUKSDQMZQE-DDUZABMNSA-N	0	0	373.501	2.697	10	30		FFEERN
CC(C)CC(=O)N[C@H](C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)c1ccccc1	ZINC000329179147	512000312	/nfs/dbraw/zinc/00/03/12/512000312.db2.gz	MNVVWIABQQDHRE-BJLQDIEVSA-N	0	0	373.497	2.662	10	30		FFEERN
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)N1CCc2cncnc2C1	ZINC000329227203	512009281	/nfs/dbraw/zinc/00/92/81/512009281.db2.gz	HZAJFENBCGXOTJ-OAHLLOKOSA-N	0	0	357.845	2.681	10	30		FFEERN
CCn1ccnc1[C@H](NC(=O)N1CCS[C@@H](C)C1)C1CCOCC1	ZINC000329246665	512012916	/nfs/dbraw/zinc/01/29/16/512012916.db2.gz	VVDMGWOOJXVHHC-DZGCQCFKSA-N	0	0	352.504	2.722	10	30		FFEERN
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1cccc(NC(=O)C2CC2)c1	ZINC000329393339	512039801	/nfs/dbraw/zinc/03/98/01/512039801.db2.gz	UQTQXANTWNBEGZ-PBHICJAKSA-N	0	0	357.454	2.759	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)C1	ZINC000329433374	512045916	/nfs/dbraw/zinc/04/59/16/512045916.db2.gz	KUJYNEKTTZCARQ-TWMKSMIVSA-N	0	0	365.518	2.827	10	30		FFEERN
N#C[C@@H]1CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C[C@H]1c1ccccc1	ZINC000329488738	512057404	/nfs/dbraw/zinc/05/74/04/512057404.db2.gz	RYLQMKKCRGPYGD-SIRSKZSMSA-N	0	0	366.421	2.565	10	30		FFEERN
CC(C)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2CN2CCOCC2)C1	ZINC000329517563	512061935	/nfs/dbraw/zinc/06/19/35/512061935.db2.gz	NEYYPBUJQNRTCV-SFHVURJKSA-N	0	0	373.497	2.736	10	30		FFEERN
CC(=O)N1CC[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c2ccccc21	ZINC000329871358	512104808	/nfs/dbraw/zinc/10/48/08/512104808.db2.gz	AQKBBTSISYFATE-YQVWRLOYSA-N	0	0	368.437	2.952	10	30		FFEERN
Cc1cn2c(n1)[C@@H](CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1C)CCC2	ZINC000329872201	512104879	/nfs/dbraw/zinc/10/48/79/512104879.db2.gz	BGLXPZFUFDEABL-VYDXJSESSA-N	0	0	357.458	2.845	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCO[C@H](C(C)(C)C)C3)C2)n1	ZINC000408265608	513034958	/nfs/dbraw/zinc/03/49/58/513034958.db2.gz	LNSYCKAXHUCFRU-ROUUACIJSA-N	0	0	370.497	2.752	10	30		FFEERN
Cc1cccc(C)c1NC(=O)C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N	ZINC000408269074	513036285	/nfs/dbraw/zinc/03/62/85/513036285.db2.gz	QBUMBTAYALKUBK-UZLBHIALSA-N	0	0	355.438	2.696	10	30		FFEERN
COC(=O)c1cc(OC(F)F)cc(C#N)c1I	ZINC000575386388	518208649	/nfs/dbraw/zinc/20/86/49/518208649.db2.gz	STALJUICJAAEFN-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)c1cc(I)cc(C#N)c1C(F)(F)F	ZINC000575393033	518210006	/nfs/dbraw/zinc/21/00/06/518210006.db2.gz	WDDFXPPMFZUODL-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
CC(N=Nc1nncc2ccccc21)c1ccc(OCC(=O)N(C)C)cc1	ZINC000005938878	518468821	/nfs/dbraw/zinc/46/88/21/518468821.db2.gz	JEGBIHCCFKMVQV-HYARGMPZSA-N	0	0	363.421	2.933	10	30		FFEERN
COc1ccc(CSc2nnc(NN=Cc3ccc(O)cc3O)[nH]2)cc1	ZINC000006244501	524130422	/nfs/dbraw/zinc/13/04/22/524130422.db2.gz	CLQNWSWTTLCFLW-GIJQJNRQSA-N	0	0	371.422	2.963	10	30		FFEERN
COc1ccccc1CNC(=O)[C@H](C)O/N=C/c1cccc([N+](=O)[O-])c1	ZINC000015332478	524476259	/nfs/dbraw/zinc/47/62/59/524476259.db2.gz	MIFJUTGXSIEGOD-HSWQHBDASA-N	0	0	357.366	2.659	10	30		FFEERN
CC(C)C[C@@H](NC(=O)[C@@H](NCCC#N)C(C)C)C(=O)Nc1ccccc1	ZINC000224545382	571211564	/nfs/dbraw/zinc/21/15/64/571211564.db2.gz	BSPUMGRSOHBPMB-MSOLQXFVSA-N	0	0	358.486	2.684	10	30		FFEERN
C#Cc1cccc(N(C)C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)c1	ZINC000103102528	728494261	/nfs/dbraw/zinc/49/42/61/728494261.db2.gz	IKOAUGAWIVTXCD-JLHYYAGUSA-N	0	0	354.431	2.716	10	30		FFEERN
C#CCOc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1	ZINC000108188385	728520416	/nfs/dbraw/zinc/52/04/16/728520416.db2.gz	WOOUEZKIFXNLJS-UHFFFAOYSA-N	0	0	353.769	2.580	10	30		FFEERN
C#CCN(Cc1cc(-c2ccc(Cl)cc2)no1)[C@H]1CCS(=O)(=O)C1	ZINC000108866791	728522749	/nfs/dbraw/zinc/52/27/49/728522749.db2.gz	KDIJRTJMSSDSOE-HNNXBMFYSA-N	0	0	364.854	2.617	10	30		FFEERN
CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000109291162	728525850	/nfs/dbraw/zinc/52/58/50/728525850.db2.gz	KTOVNQJZYWPAOP-CHWSQXEVSA-N	0	0	358.250	2.596	10	30		FFEERN
C#CCCCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000126425385	728701998	/nfs/dbraw/zinc/70/19/98/728701998.db2.gz	BWOXCHAZWAJZRK-OAHLLOKOSA-N	0	0	366.801	2.959	10	30		FFEERN
C#C[C@H](OC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21)C1CC1	ZINC000134144323	728728823	/nfs/dbraw/zinc/72/88/23/728728823.db2.gz	XVOUFDLEMPNETP-IRXDYDNUSA-N	0	0	354.431	2.638	10	30		FFEERN
CC(C)[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000193737961	729488478	/nfs/dbraw/zinc/48/84/78/729488478.db2.gz	YYGKJAUBFTYIAY-BPHPCYGNSA-N	0	0	366.487	2.665	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2CCC(F)(F)C2)CC(=O)N1C1CC1	ZINC000329051281	729796284	/nfs/dbraw/zinc/79/62/84/729796284.db2.gz	WLVNDQINEJUULB-JVLSTEMRSA-N	0	0	352.385	2.616	10	30		FFEERN
Cc1nnc2n1C[C@H](CNC([O-])=[NH+][C@@H]1CCC[C@@H](C(F)(F)F)C1)CC2	ZINC000329610846	729798268	/nfs/dbraw/zinc/79/82/68/729798268.db2.gz	CEELIKOIESJKKN-YNEHKIRRSA-N	0	0	359.396	2.774	10	30		FFEERN
C[C@@H]1OCC[C@@H]1NC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1	ZINC000329672196	729798432	/nfs/dbraw/zinc/79/84/32/729798432.db2.gz	SKJFAHIXMIUPSX-DCAQKATOSA-N	0	0	362.352	2.793	10	30		FFEERN
N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O	ZINC000333553160	729809087	/nfs/dbraw/zinc/80/90/87/729809087.db2.gz	FXVKSBPYZGGVBD-TUKIKUTGSA-N	0	0	353.344	2.972	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2ccc(C#N)c(Cl)c2)C1	ZINC000702765712	734356539	/nfs/dbraw/zinc/35/65/39/734356539.db2.gz	DHTMVZXDKVBCMI-SWLSCSKDSA-N	0	0	351.834	2.851	10	30		FFEERN
Cc1nc(C)n(C2CN(C(=O)[C@@H](NC(=O)c3ccccc3C)C(C)C)C2)n1	ZINC000328745227	962904307	/nfs/dbraw/zinc/90/43/07/962904307.db2.gz	AAQITAMNSBOOGD-SFHVURJKSA-N	0	0	369.469	2.616	10	30		FFEERN
C#CCNC(=O)c1ccccc1NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1	ZINC000588437277	964787000	/nfs/dbraw/zinc/78/70/00/964787000.db2.gz	WFSRFMBUAPFFNK-YPKPFQOOSA-N	0	0	363.373	3.000	10	30		FFEERN
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCNc1ncccc1C#N	ZINC000588447523	965110960	/nfs/dbraw/zinc/11/09/60/965110960.db2.gz	SLLZGKIPGSMJTN-ACCUITESSA-N	0	0	352.350	2.920	10	30		FFEERN
O=C(N[C@H]1CCCNC1=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1	ZINC000328962264	965148447	/nfs/dbraw/zinc/14/84/47/965148447.db2.gz	QVRZOBAZWYRLKG-YQQAZPJKSA-N	0	0	356.426	2.599	10	30		FFEERN
C=CCOc1ccc(COC(=O)/C=C\c2cncc(C(=O)NC)c2)cc1	ZINC000588462728	965330179	/nfs/dbraw/zinc/33/01/79/965330179.db2.gz	XYLOTJZYNCNBSV-TWGQIWQCSA-N	0	0	352.390	2.763	10	30		FFEERN
CC(=O)NCCn1c(-c2cc(C)no2)csc1=Nc1ccccc1C#N	ZINC000588517340	966427422	/nfs/dbraw/zinc/42/74/22/966427422.db2.gz	INHABLGQHJUQKG-UHFFFAOYSA-N	0	0	367.434	2.753	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2Cc3ccccc32)CC(=O)N1C1CC1	ZINC000329095916	966814847	/nfs/dbraw/zinc/81/48/47/966814847.db2.gz	YAHURKPWMJOYCV-GPMSIDNRSA-N	0	0	350.422	2.521	10	30		FFEERN
Cc1noc(CN2CCN(C(=O)N[C@H](c3ncccc3C)C(C)C)CC2)n1	ZINC000329646969	967909683	/nfs/dbraw/zinc/90/96/83/967909683.db2.gz	BDSULFDCGILEJE-KRWDZBQOSA-N	0	0	372.473	2.510	10	30		FFEERN
O=C(NCC[C@@H]1COc2ccccc2O1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000330063798	970278439	/nfs/dbraw/zinc/27/84/39/970278439.db2.gz	BTPKLXWBWQXODR-JXXFODFXSA-N	0	0	360.454	2.758	10	30		FFEERN
COc1cccc(/C=N/NC(=S)N[C@H]2C[C@H]3C[C@@H]2[C@H]2C=CC[C@H]32)c1O	ZINC000004322532	219565467	/nfs/dbraw/zinc/56/54/67/219565467.db2.gz	QYKCAWDUGQXKDS-NVEPPVICSA-N	0	0	357.479	2.800	10	30		FFEERN
N#Cc1cccnc1N1CCN(C(=O)c2sccc2OC(F)F)CC1	ZINC000104221307	250170044	/nfs/dbraw/zinc/17/00/44/250170044.db2.gz	YFFRWDROCJBJKG-UHFFFAOYSA-N	0	0	364.377	2.579	10	30		FFEERN
Cc1noc([C@H]2CN(c3cccc(Br)c3C#N)CCN2C)n1	ZINC000291217506	257392268	/nfs/dbraw/zinc/39/22/68/257392268.db2.gz	VQVUYOWIAZRBDP-CQSZACIVSA-N	0	0	362.231	2.505	10	30		FFEERN
CNS(=O)(=O)c1ccc(CNc2c(C#N)cnc3ccccc32)cc1	ZINC000301372481	258045922	/nfs/dbraw/zinc/04/59/22/258045922.db2.gz	VYBPPKKVDPPONB-UHFFFAOYSA-N	0	0	352.419	2.627	10	30		FFEERN
COCc1cc(C)nc(N=NCc2cc(OC)c(OC)c(OC)c2)c1C#N	ZINC000006714402	263346374	/nfs/dbraw/zinc/34/63/74/263346374.db2.gz	OCJKOSOASXGXIK-UFFVCSGVSA-N	0	0	370.409	2.880	10	30		FFEERN
NC1=C(Br)C(=O)c2nc(-c3ccccc3[N+](=O)[O-])ccc2C1=O	ZINC000031439683	263391912	/nfs/dbraw/zinc/39/19/12/263391912.db2.gz	VUTOAFXFAMNFBQ-UHFFFAOYSA-N	0	0	374.150	2.601	10	30		FFEERN
CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000004935141	506406390	/nfs/dbraw/zinc/40/63/90/506406390.db2.gz	MFQXOPZLTSALIL-RQZCQDPDSA-N	0	0	368.802	2.732	10	30		FFEERN
C=CCc1cc([N+](=O)[O-])ccc1OCCN1C(=O)c2ccccc2C1=O	ZINC000005239696	506429999	/nfs/dbraw/zinc/42/99/99/506429999.db2.gz	MRRQVAIDWBBKQM-UHFFFAOYSA-N	0	0	352.346	2.998	10	30		FFEERN
COc1ccc(OC)c([C@H]2CCCN2CC(=O)N[C@](C)(C#N)C2CC2)c1	ZINC000011436428	506776380	/nfs/dbraw/zinc/77/63/80/506776380.db2.gz	ZUQCYOOWDLVDTF-YLJYHZDGSA-N	0	0	357.454	2.649	10	30		FFEERN
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000045279093	506943117	/nfs/dbraw/zinc/94/31/17/506943117.db2.gz	XJSLJKGZDRVFLJ-KRWDZBQOSA-N	0	0	369.446	2.618	10	30		FFEERN
C=C(C)CN(CC)C(=O)[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C	ZINC000024457997	507413439	/nfs/dbraw/zinc/41/34/39/507413439.db2.gz	KTOMHTYKIXDOPF-SFHVURJKSA-N	0	0	362.470	2.883	10	30		FFEERN
CC(C)(C#N)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1	ZINC000025840176	507538625	/nfs/dbraw/zinc/53/86/25/507538625.db2.gz	RTHIMSKJSDVVIJ-UHFFFAOYSA-N	0	0	368.437	2.681	10	30		FFEERN
COc1ccc(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2C#N)cc1	ZINC000049703568	507632484	/nfs/dbraw/zinc/63/24/84/507632484.db2.gz	CCZHKZJUDFALPK-KRWDZBQOSA-N	0	0	370.430	2.603	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2C)cc1	ZINC000052647445	507816955	/nfs/dbraw/zinc/81/69/55/507816955.db2.gz	SILMCXRMKGSFMP-HNNXBMFYSA-N	0	0	365.433	2.727	10	30		FFEERN
N#Cc1ccccc1N1CCN(C(=O)c2ccc(-c3ncon3)cc2)CC1	ZINC000107139587	507836255	/nfs/dbraw/zinc/83/62/55/507836255.db2.gz	DFROFBDHXPKMEL-UHFFFAOYSA-N	0	0	359.389	2.571	10	30		FFEERN
CCCOc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cn1	ZINC000107705104	507864184	/nfs/dbraw/zinc/86/41/84/507864184.db2.gz	SCVUBUPORYDIBN-UHFFFAOYSA-N	0	0	365.842	2.874	10	30		FFEERN
N#CCCn1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)n1	ZINC000078609529	507888576	/nfs/dbraw/zinc/88/85/76/507888576.db2.gz	OOWDNYBDZZKJLN-IRXDYDNUSA-N	0	0	353.426	2.917	10	30		FFEERN
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)C2CC2)cc1	ZINC000108843497	507921928	/nfs/dbraw/zinc/92/19/28/507921928.db2.gz	BFVHYMUDZHOSIZ-GOSISDBHSA-N	0	0	369.446	2.828	10	30		FFEERN
Cc1ncc(CN2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)s1	ZINC000110944944	508058403	/nfs/dbraw/zinc/05/84/03/508058403.db2.gz	NFQPLBSOVGETEJ-UHFFFAOYSA-N	0	0	354.479	2.600	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCCN(c3ccc(C)nn3)CC2)c1C	ZINC000106073032	508391545	/nfs/dbraw/zinc/39/15/45/508391545.db2.gz	KSNRTCRJLFYENB-UHFFFAOYSA-N	0	0	367.497	2.784	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCC(N(C)c3cccnn3)CC2)c1C	ZINC000106084499	508392236	/nfs/dbraw/zinc/39/22/36/508392236.db2.gz	SHJKTEJHZMUYDH-UHFFFAOYSA-N	0	0	367.497	2.864	10	30		FFEERN
Cc1ccc([C@@H]2CN(C(=O)CCc3c(C)nn(CCC#N)c3C)CCO2)o1	ZINC000133596765	508422752	/nfs/dbraw/zinc/42/27/52/508422752.db2.gz	FZEFSQHBUSPGAA-IBGZPJMESA-N	0	0	370.453	2.848	10	30		FFEERN
N#Cc1ccc([C@@H](O)CN2CCCC[C@@H]2c2nnc3n2CCCC3)cc1	ZINC000127363569	508438778	/nfs/dbraw/zinc/43/87/78/508438778.db2.gz	XZEOWUDNWYMUEP-MSOLQXFVSA-N	0	0	351.454	2.747	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3ccnn3C)CC2)cc1	ZINC000152557785	508469884	/nfs/dbraw/zinc/46/98/84/508469884.db2.gz	YBWVEKVBMMCWFV-UHFFFAOYSA-N	0	0	367.453	2.747	10	30		FFEERN
C=CCc1cc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc(OC)c1OC	ZINC000116121003	508474494	/nfs/dbraw/zinc/47/44/94/508474494.db2.gz	ZRSOFMPUDFXNBX-OAHLLOKOSA-N	0	0	355.438	2.796	10	30		FFEERN
C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCn2nc(COC)nc21	ZINC000122517732	508547571	/nfs/dbraw/zinc/54/75/71/508547571.db2.gz	XAPVPXIGAVEWMU-INIZCTEOSA-N	0	0	373.432	2.796	10	30		FFEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000122786428	508586419	/nfs/dbraw/zinc/58/64/19/508586419.db2.gz	UHCREAGHRABELT-CJNGLKHVSA-N	0	0	354.859	2.527	10	30		FFEERN
Cc1ccc(N2CCC(NC(=O)[C@@H](C)Oc3ccccc3C#N)CC2)nc1	ZINC000157860303	508623209	/nfs/dbraw/zinc/62/32/09/508623209.db2.gz	XZVOPMSRNCHVQA-MRXNPFEDSA-N	0	0	364.449	2.814	10	30		FFEERN
Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000123119585	508639417	/nfs/dbraw/zinc/63/94/17/508639417.db2.gz	BWQVXIVLSDPPIB-CYBMUJFWSA-N	0	0	364.858	2.570	10	30		FFEERN
CCO[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2C#N)C12CCCC2	ZINC000119078476	508720784	/nfs/dbraw/zinc/72/07/84/508720784.db2.gz	LOILAYMZOLDYGE-IRXDYDNUSA-N	0	0	373.428	2.832	10	30		FFEERN
COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000151141956	508964916	/nfs/dbraw/zinc/96/49/16/508964916.db2.gz	HMRDBFJIEPZYKO-HZPDHXFCSA-N	0	0	368.441	2.604	10	30		FFEERN
C[C@H](C#N)NC(=O)c1ccccc1SCc1nnnn1-c1ccccc1	ZINC000125476201	508988394	/nfs/dbraw/zinc/98/83/94/508988394.db2.gz	RSXCKLURFJDPQC-CYBMUJFWSA-N	0	0	364.434	2.596	10	30		FFEERN
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)C#N)c2)cc1F	ZINC000125830806	509035088	/nfs/dbraw/zinc/03/50/88/509035088.db2.gz	QJQQXWLPHAEQPG-GFCCVEGCSA-N	0	0	361.398	2.577	10	30		FFEERN
CC(=O)N(C)c1cccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1	ZINC000133232258	509135137	/nfs/dbraw/zinc/13/51/37/509135137.db2.gz	LBNNKPKXLKYBLM-UHFFFAOYSA-N	0	0	364.405	2.836	10	30		FFEERN
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1nnc2n1CCCC2	ZINC000121383996	509170873	/nfs/dbraw/zinc/17/08/73/509170873.db2.gz	OIPXGHGCXCRYEL-HNNXBMFYSA-N	0	0	364.453	2.945	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)C1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1	ZINC000191799876	509186822	/nfs/dbraw/zinc/18/68/22/509186822.db2.gz	AZEFTZUVYYTSBS-UHFFFAOYSA-N	0	0	374.441	2.709	10	30		FFEERN
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(Cc2nccn2C)CC1	ZINC000162358686	509206442	/nfs/dbraw/zinc/20/64/42/509206442.db2.gz	MYXOOKCDXPCRRY-HNNXBMFYSA-N	0	0	352.438	2.540	10	30		FFEERN
Cc1ccc([C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CCO2)o1	ZINC000185509363	509213246	/nfs/dbraw/zinc/21/32/46/509213246.db2.gz	LRPBSSRKKDSLDP-OAHLLOKOSA-N	0	0	366.826	2.875	10	30		FFEERN
C=CCN(CCOC)C(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000191960913	509265681	/nfs/dbraw/zinc/26/56/81/509265681.db2.gz	VKIGLDDIUWPVDR-ONUXSRJRSA-N	0	0	374.525	2.855	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)NCCCCC#N)C[C@@H]12	ZINC000248575502	509374845	/nfs/dbraw/zinc/37/48/45/509374845.db2.gz	NFTVLJSRPAGCPZ-RBSFLKMASA-N	0	0	350.463	2.625	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1	ZINC000164131058	509468324	/nfs/dbraw/zinc/46/83/24/509468324.db2.gz	WSPANXGASCHCHN-JXFKEZNVSA-N	0	0	357.454	2.761	10	30		FFEERN
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)c1	ZINC000173385112	509566062	/nfs/dbraw/zinc/56/60/62/509566062.db2.gz	KCUKXORKLJYSIW-OAHLLOKOSA-N	0	0	353.447	2.778	10	30		FFEERN
N#Cc1ccc(Oc2cccc(C(=O)N3CC(NC(=O)C4CC4)C3)c2)cc1	ZINC000189503891	509607345	/nfs/dbraw/zinc/60/73/45/509607345.db2.gz	PYASOJKVTHRFSY-UHFFFAOYSA-N	0	0	361.401	2.701	10	30		FFEERN
CC(C)c1nc(C2(NC[C@@H](O)COc3ccc(C#N)cc3)CCCC2)no1	ZINC000173702046	509728238	/nfs/dbraw/zinc/72/82/38/509728238.db2.gz	AZAFLAGBTYBJLP-MRXNPFEDSA-N	0	0	370.453	2.863	10	30		FFEERN
Cc1nc(C[C@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)no1	ZINC000186616882	509804795	/nfs/dbraw/zinc/80/47/95/509804795.db2.gz	HYPVWYWQFJDQIC-MRXNPFEDSA-N	0	0	350.422	2.763	10	30		FFEERN
COc1cc(OC)cc([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)c1	ZINC000177026813	509826301	/nfs/dbraw/zinc/82/63/01/509826301.db2.gz	FQEBHJGXAGCNNZ-OAHLLOKOSA-N	0	0	372.446	2.754	10	30		FFEERN
CCn1cc(C2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)cn1	ZINC000177033811	509829472	/nfs/dbraw/zinc/82/94/72/509829472.db2.gz	NJCATXGZWAHIRS-QGZVFWFLSA-N	0	0	369.494	2.821	10	30		FFEERN
CN(c1cccnn1)C1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000186677030	509846357	/nfs/dbraw/zinc/84/63/57/509846357.db2.gz	CIMRMNPPTDSSHE-UHFFFAOYSA-N	0	0	361.449	2.507	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1	ZINC000177073818	509855244	/nfs/dbraw/zinc/85/52/44/509855244.db2.gz	VBZQWHZZWMEOMZ-INIZCTEOSA-N	0	0	357.414	2.673	10	30		FFEERN
COc1cccc(CN=Nc2nnnn2-c2cccc3ccccc32)c1O	ZINC000254450041	509906230	/nfs/dbraw/zinc/90/62/30/509906230.db2.gz	BUKWSIFDARQZSH-UHFFFAOYSA-N	0	0	360.377	2.976	10	30		FFEERN
CN(C)c1ccc(C=Nc2cnn(C)c2C(=O)NCc2ccco2)cc1	ZINC000254504646	509907551	/nfs/dbraw/zinc/90/75/51/509907551.db2.gz	XDSWPJRBOIMRIE-UHFFFAOYSA-N	0	0	351.410	2.760	10	30		FFEERN
CC1(C)c2cc(S(=O)(=O)NC3(C#N)CCCCCC3)ccc2NC1=O	ZINC000183670171	509918752	/nfs/dbraw/zinc/91/87/52/509918752.db2.gz	DBLLBGZPPAWKCF-UHFFFAOYSA-N	0	0	361.467	2.811	10	30		FFEERN
Cn1nccc1C1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000183674225	509919950	/nfs/dbraw/zinc/91/99/50/509919950.db2.gz	XBXRMTKPEPVLBL-UHFFFAOYSA-N	0	0	364.858	2.513	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2C[C@H](OC)C[C@H]2c2nc(C)no2)c1	ZINC000190125551	509951943	/nfs/dbraw/zinc/95/19/43/509951943.db2.gz	XMAYUCINRARYSM-CVEARBPZSA-N	0	0	358.398	2.937	10	30		FFEERN
N#CCSc1cccc(C(=O)N2CCN(c3cccs3)C(=O)C2)c1	ZINC000184093245	510128477	/nfs/dbraw/zinc/12/84/77/510128477.db2.gz	ZTNQEFAWUVFBIF-UHFFFAOYSA-N	0	0	357.460	2.853	10	30		FFEERN
C#CCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1	ZINC000187221745	510134069	/nfs/dbraw/zinc/13/40/69/510134069.db2.gz	XKPRRGDVINVQDA-UHFFFAOYSA-N	0	0	363.417	2.585	10	30		FFEERN
CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cc(C#N)cs1	ZINC000177620599	510165507	/nfs/dbraw/zinc/16/55/07/510165507.db2.gz	HRBMZDVHCKMYRL-CQSZACIVSA-N	0	0	361.492	2.827	10	30		FFEERN
N#Cc1ccc(OCCNC(=O)N2CCC(Nc3nccs3)CC2)cc1	ZINC000187301675	510180253	/nfs/dbraw/zinc/18/02/53/510180253.db2.gz	GXUDLLXTWHBIRD-UHFFFAOYSA-N	0	0	371.466	2.680	10	30		FFEERN
Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)C2)c1	ZINC000177673122	510194583	/nfs/dbraw/zinc/19/45/83/510194583.db2.gz	UOOPMFSXKBPSBA-HNNXBMFYSA-N	0	0	371.828	2.519	10	30		FFEERN
N#Cc1ccc(N2CC[C@@H](N3CCC[C@H](c4nccs4)C3)C2=O)cc1	ZINC000171637481	510265544	/nfs/dbraw/zinc/26/55/44/510265544.db2.gz	QVWWTOJULDETMW-DOTOQJQBSA-N	0	0	352.463	3.000	10	30		FFEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000184355875	510281207	/nfs/dbraw/zinc/28/12/07/510281207.db2.gz	DOGVQPLPGQEWSK-LSDHHAIUSA-N	0	0	358.442	2.890	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2CCO[C@@H](c3nccs3)C2)cc1Cl	ZINC000171667314	510296194	/nfs/dbraw/zinc/29/61/94/510296194.db2.gz	RDNMJPWXOSCYCQ-CQSZACIVSA-N	0	0	362.842	2.680	10	30		FFEERN
CC[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1C)c1cccc([N+](=O)[O-])c1	ZINC000178056216	510403651	/nfs/dbraw/zinc/40/36/51/510403651.db2.gz	KGXHITWTBXRJQR-MRXNPFEDSA-N	0	0	366.377	2.981	10	30		FFEERN
CC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1	ZINC000178058959	510407267	/nfs/dbraw/zinc/40/72/67/510407267.db2.gz	LIJZVLHFEZAIBC-MRXNPFEDSA-N	0	0	352.350	2.672	10	30		FFEERN
N#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)nc1	ZINC000171864785	510418045	/nfs/dbraw/zinc/41/80/45/510418045.db2.gz	PBRHCFMZEUFGKA-UHFFFAOYSA-N	0	0	352.369	2.583	10	30		FFEERN
Cc1ccc(OC2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)nc1	ZINC000181568302	510478681	/nfs/dbraw/zinc/47/86/81/510478681.db2.gz	YHDSASRVESQAGO-UHFFFAOYSA-N	0	0	365.433	2.905	10	30		FFEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCc3ccc(C#N)cc3F)C2)n1	ZINC000172134571	510561045	/nfs/dbraw/zinc/56/10/45/510561045.db2.gz	BSJRSYQLWRALAP-INIZCTEOSA-N	0	0	370.432	2.528	10	30		FFEERN
C=CC[C@H](C)[C@H](C)Nc1cccc(S(=O)(=O)N2CCC(O)CC2)c1	ZINC000188093614	510589014	/nfs/dbraw/zinc/58/90/14/510589014.db2.gz	NKPIVUBGQJHURS-GJZGRUSLSA-N	0	0	352.500	2.845	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1	ZINC000178502742	510635214	/nfs/dbraw/zinc/63/52/14/510635214.db2.gz	CHUINFCGPUOGMD-HNNXBMFYSA-N	0	0	373.416	2.868	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1	ZINC000195051004	510648098	/nfs/dbraw/zinc/64/80/98/510648098.db2.gz	YXOSYIWZUZVPCH-VGMNTSGFSA-N	0	0	361.401	2.524	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1	ZINC000188286707	510690981	/nfs/dbraw/zinc/69/09/81/510690981.db2.gz	SPYKXNHWHVHBSG-QFBILLFUSA-N	0	0	366.527	2.775	10	30		FFEERN
C[C@H]1CN([C@H](CNC(=O)c2sccc2C#N)c2cccs2)CCO1	ZINC000247002477	510793397	/nfs/dbraw/zinc/79/33/97/510793397.db2.gz	RDYAMBAHFCRBEU-GXTWGEPZSA-N	0	0	361.492	2.873	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1	ZINC000178832875	510795263	/nfs/dbraw/zinc/79/52/63/510795263.db2.gz	PDWOZOBDPPHYPR-WDEREUQCSA-N	0	0	357.307	2.873	10	30		FFEERN
Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)cn1	ZINC000329902330	510873753	/nfs/dbraw/zinc/87/37/53/510873753.db2.gz	PHROPANBQYPFSV-FGTMMUONSA-N	0	0	374.485	2.635	10	30		FFEERN
Cn1c2ccc(NC(=O)[C@H]3CCO[C@@H]3c3cccnc3)cc2n(C)c1=O	ZINC000330055846	510907130	/nfs/dbraw/zinc/90/71/30/510907130.db2.gz	UYMNWIOADAJGGK-WMLDXEAASA-N	0	0	352.394	2.638	10	30		FFEERN
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[C@H](Oc2ccccn2)C1	ZINC000330061649	510908848	/nfs/dbraw/zinc/90/88/48/510908848.db2.gz	ONERRWGMWBFAGJ-PMPSAXMXSA-N	0	0	360.458	2.984	10	30		FFEERN
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H]1CCCc2sc(Cl)cc21	ZINC000330216523	510940082	/nfs/dbraw/zinc/94/00/82/510940082.db2.gz	NENWRNWUZXJWIW-INTQDDNPSA-N	0	0	362.904	2.716	10	30		FFEERN
CC(C)(C[NH+]=C([O-])N1CCC[C@@H]1Cn1ccnc1)c1ccc2c(c1)OCO2	ZINC000330264888	510951378	/nfs/dbraw/zinc/95/13/78/510951378.db2.gz	YLNAKWYUMOIIBE-MRXNPFEDSA-N	0	0	370.453	2.968	10	30		FFEERN
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1c[nH]nc1[C@H]1CCOC1	ZINC000330318589	510962513	/nfs/dbraw/zinc/96/25/13/510962513.db2.gz	CMFNOEKNDQKWPS-NWDGAFQWSA-N	0	0	362.380	2.775	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)cn1	ZINC000330321759	510963227	/nfs/dbraw/zinc/96/32/27/510963227.db2.gz	GGUHDBYDNUBWBF-PZPSRYQVSA-N	0	0	359.474	2.919	10	30		FFEERN
Cn1ccnc1[C@@H]1CN(C(=O)N[C@@H]2CCCc3ccccc32)CCN1C	ZINC000330336464	510968122	/nfs/dbraw/zinc/96/81/22/510968122.db2.gz	SNEMYRCOMOOQNY-MSOLQXFVSA-N	0	0	353.470	2.700	10	30		FFEERN
Cn1cncc1[C@@H]1C[C@@H](NC(=O)NC2C3CC4CC(C3)CC2C4)CCO1	ZINC000330339962	510969816	/nfs/dbraw/zinc/96/98/16/510969816.db2.gz	XHRSSIFBNPYLDU-UCIWZYOESA-N	0	0	358.486	2.969	10	30		FFEERN
Cn1cc(C(=O)Nc2ccc(N3CCCCC3)cn2)c([C@H]2CCOC2)n1	ZINC000330351235	510971697	/nfs/dbraw/zinc/97/16/97/510971697.db2.gz	MAAZJMRPURJHFA-AWEZNQCLSA-N	0	0	355.442	2.946	10	30		FFEERN
N#Cc1nc(N2CCN(Cc3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-]	ZINC000302741474	511711183	/nfs/dbraw/zinc/71/11/83/511711183.db2.gz	RGYMXHIDRKURIV-UHFFFAOYSA-N	0	0	357.801	2.837	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC[C@H]2CCCC(F)(F)C2)C1	ZINC000328652694	511909356	/nfs/dbraw/zinc/90/93/56/511909356.db2.gz	BWLZBDBYCMGGEK-RWMBFGLXSA-N	0	0	358.389	2.879	10	30		FFEERN
N#C[C@@H]1CN([C@H]2CCN(c3ccccc3)C2=O)C[C@]12C(=O)Nc1ccccc12	ZINC000328674853	511914052	/nfs/dbraw/zinc/91/40/52/511914052.db2.gz	KENWYPVZRUFAEN-MPHOGZCYSA-N	0	0	372.428	2.787	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCN(C)C[C@@H]1c1ccccc1)CCC2	ZINC000328698236	511916368	/nfs/dbraw/zinc/91/63/68/511916368.db2.gz	HLTNIMSTAWRNMV-RBUKOAKNSA-N	0	0	367.497	2.972	10	30		FFEERN
C[C@H](NC(=O)N[C@H]1CCC(=O)NC12CCC2)c1cn(-c2ccccc2)nn1	ZINC000328731503	511923337	/nfs/dbraw/zinc/92/33/37/511923337.db2.gz	GPTCDYXHZANISI-BBRMVZONSA-N	0	0	368.441	2.874	10	30		FFEERN
CN1C(=O)C[C@@H](CNC(=O)N[C@H]2CCC(=O)NC2(C)C)[C@@H]1c1ccccc1	ZINC000328754570	511927114	/nfs/dbraw/zinc/92/71/14/511927114.db2.gz	SJWDFGLDCFGZGN-MPGHIAIKSA-N	0	0	372.469	2.607	10	30		FFEERN
CO[C@@H]1CC[C@@H]2OCCN(CC(=O)Nc3nc4c(s3)CCCC4)[C@H]2C1	ZINC000328797316	511932776	/nfs/dbraw/zinc/93/27/76/511932776.db2.gz	VQDGGARJFFJXEG-SNPRPXQTSA-N	0	0	365.499	2.878	10	30		FFEERN
CN1C(=O)C[C@@H](CNC(=O)N2CCC[C@@H]2[C@H]2CCCO2)[C@@H]1c1ccccc1	ZINC000328845309	511940009	/nfs/dbraw/zinc/94/00/09/511940009.db2.gz	AEQZLJHKHNRVLA-XFKSJGNHSA-N	0	0	371.481	2.763	10	30		FFEERN
CNC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCc3occc32)C[C@@H]1c1cnn(C)c1	ZINC000328943752	511955008	/nfs/dbraw/zinc/95/50/08/511955008.db2.gz	ALXZIGBESURHHN-OWCLPIDISA-N	0	0	371.441	2.606	10	30		FFEERN
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CN1CCOCC1	ZINC000328945969	511955168	/nfs/dbraw/zinc/95/51/68/511955168.db2.gz	MEVMEOOMIUNXPQ-LZLYRXPVSA-N	0	0	364.490	2.609	10	30		FFEERN
C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)[C@H]1C	ZINC000328995364	511963893	/nfs/dbraw/zinc/96/38/93/511963893.db2.gz	WHCCOLWSWFAUHY-AIIJBHBYSA-N	0	0	373.501	2.553	10	30		FFEERN
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1	ZINC000329053760	511973756	/nfs/dbraw/zinc/97/37/56/511973756.db2.gz	XGSOTGOADHRIKB-VNNTZAECSA-N	0	0	367.515	2.924	10	30		FFEERN
C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCc2cncnc2C1	ZINC000329131512	511989561	/nfs/dbraw/zinc/98/95/61/511989561.db2.gz	AGHZVQGELJUETD-CYBMUJFWSA-N	0	0	354.410	2.673	10	30		FFEERN
CNC(=O)[C@H]1CN(C(=O)[C@@H]2CCCc3sccc32)C[C@@H]1c1cnn(C)c1	ZINC000329171331	511999100	/nfs/dbraw/zinc/99/91/00/511999100.db2.gz	KAGYZYNPGOBGNV-OAGGEKHMSA-N	0	0	372.494	2.730	10	30		FFEERN
CO[C@@H]1[C@H](C)[C@H](NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)C1(C)C	ZINC000329251475	512013546	/nfs/dbraw/zinc/01/35/46/512013546.db2.gz	BKJGYGOIBDQHGL-AKSVOJBYSA-N	0	0	352.500	2.729	10	30		FFEERN
COc1cc(F)c([C@H](C)NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)cc1OC	ZINC000329451529	512049010	/nfs/dbraw/zinc/04/90/10/512049010.db2.gz	CTVSYVDHMLNZCG-KVFJLYFUSA-N	0	0	353.390	2.912	10	30		FFEERN
Cc1cc2c[nH]nc2c(C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)c1	ZINC000329553167	512068520	/nfs/dbraw/zinc/06/85/20/512068520.db2.gz	DDLALNCGLDPUMY-HNNXBMFYSA-N	0	0	350.426	2.943	10	30		FFEERN
O=C(NC[C@@H]1CCCN1c1cccnn1)[C@@H]1CCCN1c1nccs1	ZINC000329580793	512072249	/nfs/dbraw/zinc/07/22/49/512072249.db2.gz	LDAURTPRBHOPQX-KBPBESRZSA-N	0	0	358.471	2.527	10	30		FFEERN
CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)C1	ZINC000329616758	512077653	/nfs/dbraw/zinc/07/76/53/512077653.db2.gz	SMIKKHCXUBMZHQ-MLHJIOFPSA-N	0	0	371.485	2.582	10	30		FFEERN
Cc1ccc(N2CCC[C@@H](NC(=O)N3CCc4ccc(F)cc43)C2)nn1	ZINC000329642093	512081839	/nfs/dbraw/zinc/08/18/39/512081839.db2.gz	ACTYCLOFZJIUSU-MRXNPFEDSA-N	0	0	355.417	2.870	10	30		FFEERN
Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329651230	512081913	/nfs/dbraw/zinc/08/19/13/512081913.db2.gz	KGMCDNJSLPUQQH-GUYCJALGSA-N	0	0	370.501	2.939	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCc4ccccc43)C2)nn1	ZINC000329685323	512086575	/nfs/dbraw/zinc/08/65/75/512086575.db2.gz	UQTKBJQNGNMQMD-FUHWJXTLSA-N	0	0	351.454	2.945	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(F)(F)F	ZINC000329782257	512096867	/nfs/dbraw/zinc/09/68/67/512096867.db2.gz	UCLFROGQRIWRFB-VTPLQMEGSA-N	0	0	361.364	2.648	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(C(=O)NCC3C[C@H](C)O[C@@H](C)C3)C2)no1	ZINC000329800786	512098695	/nfs/dbraw/zinc/09/86/95/512098695.db2.gz	IYJPYGDUECCNJN-YDHLFZDLSA-N	0	0	350.463	2.750	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1	ZINC000329807625	512099893	/nfs/dbraw/zinc/09/98/93/512099893.db2.gz	AIJVUNAAWBOTAS-AOIWGVFYSA-N	0	0	354.454	2.999	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NCC1C[C@H](C)O[C@@H](C)C1	ZINC000329811191	512100727	/nfs/dbraw/zinc/10/07/27/512100727.db2.gz	RHIIBXAMSDKBPX-DCGLDWPTSA-N	0	0	364.490	2.528	10	30		FFEERN
C[C@@H]1OCC[C@]12CN(C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)CCO2	ZINC000329896911	512105955	/nfs/dbraw/zinc/10/59/55/512105955.db2.gz	CRKBAIHBKNKYHL-XPCVCDNBSA-N	0	0	350.381	2.901	10	30		FFEERN
COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)CC1(C#N)CCCCC1	ZINC000408228933	513026831	/nfs/dbraw/zinc/02/68/31/513026831.db2.gz	KXCODSOIHIDKMF-OAGGEKHMSA-N	0	0	368.499	2.596	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)c2c(c1)OCCO2	ZINC000408328829	513045375	/nfs/dbraw/zinc/04/53/75/513045375.db2.gz	HDORDBGNEITFMJ-JOYOIKCWSA-N	0	0	351.200	2.642	10	30		FFEERN
CCC(=O)N[C@H]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1	ZINC000408331239	513045438	/nfs/dbraw/zinc/04/54/38/513045438.db2.gz	QAARRMMSYQMTQD-HNNXBMFYSA-N	0	0	365.481	2.979	10	30		FFEERN
COC(=O)c1ccc(C(F)(F)F)c(C#N)c1I	ZINC000575393114	518210160	/nfs/dbraw/zinc/21/01/60/518210160.db2.gz	ZJMXHHYIIAWPCG-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
COC(=O)c1cc(C#N)c(I)cc1C(F)(F)F	ZINC000575392990	518210305	/nfs/dbraw/zinc/21/03/05/518210305.db2.gz	UBNKURWJZADTFL-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
N#Cc1cnc(OCCNC(=O)c2ccccc2Br)c(F)c1	ZINC000584592352	518412741	/nfs/dbraw/zinc/41/27/41/518412741.db2.gz	KZOVVGIZGQUWLK-UHFFFAOYSA-N	0	0	364.174	2.664	10	30		FFEERN
CC[C@@H](C)NC(=O)C1(C#N)CCN(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000584646510	518419004	/nfs/dbraw/zinc/41/90/04/518419004.db2.gz	VQUITCUDACFSCT-CQSZACIVSA-N	0	0	353.426	2.611	10	30		FFEERN
C=CCO[C@@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@@H]2O[C@H](OC)[C@H]1OCC=C	ZINC000616587440	520070497	/nfs/dbraw/zinc/07/04/97/520070497.db2.gz	FMKYMGOFTWEBLP-BIEDPOGDSA-N	0	0	362.422	2.614	10	30		FFEERN
Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cc1S(=O)(=O)NC1CC1	ZINC000330276135	568081760	/nfs/dbraw/zinc/08/17/60/568081760.db2.gz	MLPFSXOFAKNYNY-CJNGLKHVSA-N	0	0	363.483	2.856	10	30		FFEERN
C#CCOc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)cc1	ZINC000108186872	728520438	/nfs/dbraw/zinc/52/04/38/728520438.db2.gz	GZSKUIXFHYSOMF-KRWDZBQOSA-N	0	0	358.463	2.729	10	30		FFEERN
C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(F)c(Cl)c1	ZINC000118779268	728584691	/nfs/dbraw/zinc/58/46/91/728584691.db2.gz	SAXCXVRYQSXGDL-VXFCLOCWSA-N	0	0	365.792	2.573	10	30		FFEERN
N#C[C@H](C(=O)[C@H]1C[C@H]1c1cccc(Br)c1)C(=O)N1CCCC1	ZINC000138509163	728740743	/nfs/dbraw/zinc/74/07/43/728740743.db2.gz	VILJPQYJUWATAG-SOUVJXGZSA-N	0	0	361.239	2.884	10	30		FFEERN
C#CCCCNC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1	ZINC000174275088	729067663	/nfs/dbraw/zinc/06/76/63/729067663.db2.gz	RBICPMGOGPOGLN-AWEZNQCLSA-N	0	0	367.243	2.766	10	30		FFEERN
C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1	ZINC000328732283	729794928	/nfs/dbraw/zinc/79/49/28/729794928.db2.gz	HBHGVSUQOGHBBS-CMPLNLGQSA-N	0	0	357.813	2.819	10	30		FFEERN
C[C@@H]1OCC[C@@H]1NC(=O)N1CCOc2ccc(Br)cc2C1	ZINC000328761582	729795145	/nfs/dbraw/zinc/79/51/45/729795145.db2.gz	YKNLCLIEBQJGFQ-GWCFXTLKSA-N	0	0	355.232	2.735	10	30		FFEERN
O=C(N[C@@H]1CCCNC1=O)c1cc2c(cc1Br)NC(=O)CO2	ZINC000329456761	729797666	/nfs/dbraw/zinc/79/76/66/729797666.db2.gz	NNENPJBTWUHEJP-SECBINFHSA-N	0	0	368.187	2.853	10	30		FFEERN
Cc1ncc2n1CC[C@H](C(=O)N[C@H]1CCS(=O)(=O)c3ccccc31)C2	ZINC000329782033	729798987	/nfs/dbraw/zinc/79/89/87/729798987.db2.gz	NPZHSCAVAKBQSU-BBRMVZONSA-N	0	0	359.451	2.629	10	30		FFEERN
O=C(NC1CC(c2cccc(Cl)c2)C1)N[C@@H]1CCCS(=O)(=O)C1	ZINC000329827086	729799143	/nfs/dbraw/zinc/79/91/43/729799143.db2.gz	IQRHUGBGHPWUDW-HNFVBEJKSA-N	0	0	356.875	2.667	10	30		FFEERN
Cc1cccc2c1OCC[C@H]2NC(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC000329925609	729799436	/nfs/dbraw/zinc/79/94/36/729799436.db2.gz	JXCHDXPQYOUYJU-SNVBAGLBSA-N	0	0	355.320	2.659	10	30		FFEERN
C[C@@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)c1ccc(Cl)s1	ZINC000330107954	729799771	/nfs/dbraw/zinc/79/97/71/729799771.db2.gz	MWKBASHAPVPPGN-SECBINFHSA-N	0	0	352.847	2.529	10	30		FFEERN
Cc1nc(CN(C)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cs1	ZINC000885821603	733714583	/nfs/dbraw/zinc/71/45/83/733714583.db2.gz	IXNWTKIKMYJGQS-AWEZNQCLSA-N	0	0	358.442	2.947	10	30		FFEERN
Cc1ccc(S(=O)(=O)OCC23C4C5C2C2C3C4C52Br)cc1	ZINC000757566553	736410470	/nfs/dbraw/zinc/41/04/70/736410470.db2.gz	GESFJRPUTRDZBP-UHFFFAOYSA-N	0	0	367.264	2.586	10	30		FFEERN
Cc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1N1CCNC1=O	ZINC000330210638	971134481	/nfs/dbraw/zinc/13/44/81/971134481.db2.gz	IMINAKQPVAAKNG-FOIQADDNSA-N	0	0	372.469	2.902	10	30		FFEERN
C[C@H](C[C@@H]1CCCO1)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000328711380	962538503	/nfs/dbraw/zinc/53/85/03/962538503.db2.gz	RIMCBHYNZGSCQI-YCPHGPKFSA-N	0	0	374.437	2.725	10	30		FFEERN
COc1ccc2c(c1)OC[C@H](NC(=O)N1CC[C@]3(O)CCCC[C@@H]3C1)C2	ZINC000328980506	965182453	/nfs/dbraw/zinc/18/24/53/965182453.db2.gz	DJQHUUGLTLDKPJ-JXXFODFXSA-N	0	0	360.454	2.540	10	30		FFEERN
CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@@]13CCOc1ccccc13)CC2	ZINC000329701031	967954250	/nfs/dbraw/zinc/95/42/50/967954250.db2.gz	HEQMIOCMJVALQQ-IAMHBRQHSA-N	0	0	352.438	2.852	10	30		FFEERN
C[C@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)C12CC3CC(CC(C3)C1)C2	ZINC000330072773	970316896	/nfs/dbraw/zinc/31/68/96/970316896.db2.gz	ZHKAWRJKZVLJGV-JHMRYYBSSA-N	0	0	370.497	2.657	10	30		FFEERN
C#Cc1cccc(N(C)C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)c1	ZINC000103102040	1000028969	/nfs/dbraw/zinc/02/89/69/1000028969.db2.gz	WOAAYIROPYNQNC-MRXNPFEDSA-N	0	0	354.356	2.962	10	30		FFEERN
CC(=O)N[C@@H](CC(=O)OCCOc1ccc(C#N)cc1)c1ccccc1	ZINC000009384939	1006787998	/nfs/dbraw/zinc/78/79/98/1006787998.db2.gz	PZNVLZXCJIWDIJ-IBGZPJMESA-N	0	0	352.390	2.748	10	30		FFEERN
O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N=C(NN=Cc2ccccc2)S1	ZINC000006222643	219720732	/nfs/dbraw/zinc/72/07/32/219720732.db2.gz	JECURSUUZIFNGZ-BBJIBYMTSA-N	0	0	370.409	2.776	10	30		FFEERN
COc1cc(/C=N/NC(=S)N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2C=CC[C@@H]32)ccc1O	ZINC000013657698	220081599	/nfs/dbraw/zinc/08/15/99/220081599.db2.gz	NTMXTSMAUQTNMD-WEJCYBAESA-N	0	0	357.479	2.800	10	30		FFEERN
C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000045255539	249418781	/nfs/dbraw/zinc/41/87/81/249418781.db2.gz	LKZPIBQZQNPRHT-CQSZACIVSA-N	0	0	371.462	2.864	10	30		FFEERN
N#Cc1c(N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)nc2ccccn12	ZINC000302192566	258094160	/nfs/dbraw/zinc/09/41/60/258094160.db2.gz	RMPXEWYIPWJTFS-LLVKDONJSA-N	0	0	353.332	2.702	10	30		FFEERN
Cc1ccnc(Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1[N+](=O)[O-]	ZINC000301458497	258050729	/nfs/dbraw/zinc/05/07/29/258050729.db2.gz	IHDBJUOFZXMVTD-UHFFFAOYSA-N	0	0	353.382	2.875	10	30		FFEERN
CCc1nnc(NCc2ccnc(O[C@H]3CCOC3)c2)c(C#N)c1CC	ZINC000301889613	258072973	/nfs/dbraw/zinc/07/29/73/258072973.db2.gz	NPEICHBMZDCDJK-AWEZNQCLSA-N	0	0	353.426	2.648	10	30		FFEERN
N#Cc1ccc(OC2CN(C(=O)[C@@H]3C[C@]34CCOc3ccccc34)C2)cc1	ZINC000330184991	258157991	/nfs/dbraw/zinc/15/79/91/258157991.db2.gz	RAUNIPGBIDKYKV-UGKGYDQZSA-N	0	0	360.413	2.888	10	30		FFEERN
Cc1ncc(S(=O)(=O)N2Cc3ccccc3C3(CCC3)C2)cc1C#N	ZINC000330231825	258159500	/nfs/dbraw/zinc/15/95/00/258159500.db2.gz	XBOHKEJIQXQYHD-UHFFFAOYSA-N	0	0	353.447	2.888	10	30		FFEERN
C/C(=N\NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)o1	ZINC000005603920	263342637	/nfs/dbraw/zinc/34/26/37/263342637.db2.gz	SNVBSPWDZNXMIF-OQLLNIDSSA-N	0	0	357.775	2.852	10	30		FFEERN
COC(=O)c1c(I)cc(OC(F)(F)F)cc1C#N	ZINC000575392255	518209487	/nfs/dbraw/zinc/20/94/87/518209487.db2.gz	KHGVZMSKOOAYSE-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
N#Cc1c(Br)cc([N+](=O)[O-])cc1I	ZINC000575691731	518249231	/nfs/dbraw/zinc/24/92/31/518249231.db2.gz	GMKDLIXYUXNEJI-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)NCCCOC3CCCCC3)cc2C1=O	ZINC000006989125	506523400	/nfs/dbraw/zinc/52/34/00/506523400.db2.gz	RPMBBARETIGXSS-UHFFFAOYSA-N	0	0	370.449	2.938	10	30		FFEERN
COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccccc3C#N)CC2=O)c1	ZINC000008268322	506636806	/nfs/dbraw/zinc/63/68/06/506636806.db2.gz	LZUMNTRBPXPOKP-AWEZNQCLSA-N	0	0	365.389	2.567	10	30		FFEERN
COc1cccc(C(=O)N2CCCN(C(=O)c3cccc(C#N)c3)CC2)c1	ZINC000055699681	506831043	/nfs/dbraw/zinc/83/10/43/506831043.db2.gz	VWMDYBLRJYUVIX-UHFFFAOYSA-N	0	0	363.417	2.555	10	30		FFEERN
COc1ccccc1C(=O)N[C@H](C(=O)NCc1ccc(C#N)cc1)C(C)C	ZINC000045407877	506960534	/nfs/dbraw/zinc/96/05/34/506960534.db2.gz	KPMNBINJPGINHT-IBGZPJMESA-N	0	0	365.433	2.638	10	30		FFEERN
C[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2	ZINC000018891627	507151462	/nfs/dbraw/zinc/15/14/62/507151462.db2.gz	QQHCIMZTQFUWDK-KBPBESRZSA-N	0	0	352.390	2.974	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1COc2ccccc21	ZINC000058728945	507458889	/nfs/dbraw/zinc/45/88/89/507458889.db2.gz	ITHHYGNPQHGMAK-MRXNPFEDSA-N	0	0	352.390	2.976	10	30		FFEERN
C=CCN(CC(F)(F)F)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21	ZINC000110064235	508004621	/nfs/dbraw/zinc/00/46/21/508004621.db2.gz	SEKGWXFLMBIXGG-UHFFFAOYSA-N	0	0	355.272	2.627	10	30		FFEERN
COc1ccc(C(=O)N2CCCN(C(=O)c3cccc(C#N)c3)CC2)cc1	ZINC000075018324	508077274	/nfs/dbraw/zinc/07/72/74/508077274.db2.gz	LMZPWMLOUNGQRU-UHFFFAOYSA-N	0	0	363.417	2.555	10	30		FFEERN
COC(=O)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccccc1	ZINC000075696262	508129777	/nfs/dbraw/zinc/12/97/77/508129777.db2.gz	NMFVXIZENNQDAL-RHSMWYFYSA-N	0	0	352.390	2.746	10	30		FFEERN
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C	ZINC000076099167	508158539	/nfs/dbraw/zinc/15/85/39/508158539.db2.gz	MVDUMZLOYXNLKU-BLLLJJGKSA-N	0	0	350.378	2.517	10	30		FFEERN
CCn1cc(CN2CCCN(C(=O)Nc3cc(C#N)ccc3C)CC2)cn1	ZINC000112737037	508217601	/nfs/dbraw/zinc/21/76/01/508217601.db2.gz	CGCRNOYVXKCCJF-UHFFFAOYSA-N	0	0	366.469	2.823	10	30		FFEERN
COc1cc(OC)cc([C@H]2CCN(C(=O)Nc3ccn(CCC#N)n3)C2)c1	ZINC000083570736	508248574	/nfs/dbraw/zinc/24/85/74/508248574.db2.gz	FSJBRIGNOKBKJK-AWEZNQCLSA-N	0	0	369.425	2.835	10	30		FFEERN
N#Cc1cccc(OCCSCC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1	ZINC000101585160	508249526	/nfs/dbraw/zinc/24/95/26/508249526.db2.gz	XARUMILBEGUEQX-QZTJIDSGSA-N	0	0	360.479	2.840	10	30		FFEERN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn(CCOC)n1	ZINC000101757618	508256560	/nfs/dbraw/zinc/25/65/60/508256560.db2.gz	OPCCZPDOLUBMAS-UHFFFAOYSA-N	0	0	359.386	2.658	10	30		FFEERN
C=CCCC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	ZINC000102323228	508271839	/nfs/dbraw/zinc/27/18/39/508271839.db2.gz	VRHDYNYMTZNIJN-UHFFFAOYSA-N	0	0	369.387	2.754	10	30		FFEERN
N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(F)c2F)cc1	ZINC000102346706	508272704	/nfs/dbraw/zinc/27/27/04/508272704.db2.gz	PHHACBKQQYVTMK-HNNXBMFYSA-N	0	0	373.384	2.990	10	30		FFEERN
N#Cc1ccc(OC(F)F)c(NC(=O)NCCNC(=O)c2ccccc2)c1	ZINC000102802631	508285436	/nfs/dbraw/zinc/28/54/36/508285436.db2.gz	RTJJFIWUXZYAGI-UHFFFAOYSA-N	0	0	374.347	2.711	10	30		FFEERN
Cc1nnc([C@@H](NC(=O)C=Cc2ccc(OCC#N)cc2)c2ccccc2)[nH]1	ZINC000104403748	508334077	/nfs/dbraw/zinc/33/40/77/508334077.db2.gz	LTFJCNHCLCBEHN-JTPHSUOKSA-N	0	0	373.416	2.935	10	30		FFEERN
CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000105752211	508384631	/nfs/dbraw/zinc/38/46/31/508384631.db2.gz	HVOZGYRUAAMRGR-UHFFFAOYSA-N	0	0	373.359	2.879	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCC(Nc3cccnn3)CC2)c1C	ZINC000106081843	508392567	/nfs/dbraw/zinc/39/25/67/508392567.db2.gz	SMJBVAUZXIKLJN-UHFFFAOYSA-N	0	0	353.470	2.840	10	30		FFEERN
C#CCCCCNC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12	ZINC000156451330	508422517	/nfs/dbraw/zinc/42/25/17/508422517.db2.gz	SKOMSDHIXPAOME-KRWDZBQOSA-N	0	0	355.463	2.603	10	30		FFEERN
C[C@H](C#N)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1	ZINC000152324177	508424203	/nfs/dbraw/zinc/42/42/03/508424203.db2.gz	CXIKMYPJQPFTGG-GFCCVEGCSA-N	0	0	353.407	2.648	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2CC[C@@H](Oc3cccnc3)C2)cc1Cl	ZINC000152552819	508469286	/nfs/dbraw/zinc/46/92/86/508469286.db2.gz	JOPAYRPITONWOP-MRXNPFEDSA-N	0	0	356.813	2.698	10	30		FFEERN
CCOCCN1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C	ZINC000117448820	508599930	/nfs/dbraw/zinc/59/99/30/508599930.db2.gz	OBHXETCJAPIXKD-MRXNPFEDSA-N	0	0	374.485	2.920	10	30		FFEERN
CC(C)Oc1ccc(NC(=O)N2CCC(n3cncn3)CC2)cc1C#N	ZINC000157745736	508606015	/nfs/dbraw/zinc/60/60/15/508606015.db2.gz	OWZPOVRZMJWWJM-UHFFFAOYSA-N	0	0	354.414	2.806	10	30		FFEERN
CC(C)Oc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1C#N	ZINC000153881219	508668820	/nfs/dbraw/zinc/66/88/20/508668820.db2.gz	OLSGRJLYJSHLCP-QGZVFWFLSA-N	0	0	366.421	2.564	10	30		FFEERN
C=CCNc1ncc(C(=O)NC2CCN(c3cccc(C)n3)CC2)s1	ZINC000136285282	508684282	/nfs/dbraw/zinc/68/42/82/508684282.db2.gz	PNSAHWZTMLZTAR-UHFFFAOYSA-N	0	0	357.483	2.843	10	30		FFEERN
N#CCOc1ccc(CC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1	ZINC000154107993	508718216	/nfs/dbraw/zinc/71/82/16/508718216.db2.gz	DSPKSKAYFRLBRQ-SJLPKXTDSA-N	0	0	354.406	2.839	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](Oc2cccnc2)C1	ZINC000129415535	508724371	/nfs/dbraw/zinc/72/43/71/508724371.db2.gz	NQQYTWKAKPWQQB-QGZVFWFLSA-N	0	0	354.406	2.949	10	30		FFEERN
CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C12CCCC2	ZINC000119101030	508725988	/nfs/dbraw/zinc/72/59/88/508725988.db2.gz	CZQIIPVFJJFFNJ-IAGOWNOFSA-N	0	0	373.428	2.832	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cc1	ZINC000123842273	508745752	/nfs/dbraw/zinc/74/57/52/508745752.db2.gz	SSVAUEPLZUHIOJ-HKUYNNGSSA-N	0	0	356.447	2.835	10	30		FFEERN
CC(C)[C@@H](C)NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000154519029	508800216	/nfs/dbraw/zinc/80/02/16/508800216.db2.gz	DRGIBHYDBFJAEW-OAHLLOKOSA-N	0	0	351.454	2.983	10	30		FFEERN
COc1cc(C#N)ccc1OC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1	ZINC000119675699	508841981	/nfs/dbraw/zinc/84/19/81/508841981.db2.gz	JOSUTPLWSREZAN-DNVCBOLYSA-N	0	0	368.364	2.831	10	30		FFEERN
CC1([C@H](C#N)NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)COC1	ZINC000146615579	508852993	/nfs/dbraw/zinc/85/29/93/508852993.db2.gz	HOIIQDRAQAKEDP-AWEZNQCLSA-N	0	0	369.343	2.559	10	30		FFEERN
CN(CCC#N)C(=O)CCN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1	ZINC000131382020	508924269	/nfs/dbraw/zinc/92/42/69/508924269.db2.gz	WXUKFCWLEDRSAZ-AWEZNQCLSA-N	0	0	364.515	2.576	10	30		FFEERN
COC(=O)C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccccc1	ZINC000131658543	508957974	/nfs/dbraw/zinc/95/79/74/508957974.db2.gz	GUMOPCUATFQFDL-GOSISDBHSA-N	0	0	352.390	2.552	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000151289680	508993138	/nfs/dbraw/zinc/99/31/38/508993138.db2.gz	LTVPXYGARXBHAB-UWJYYQICSA-N	0	0	372.465	2.879	10	30		FFEERN
Cc1ccc2oc(N3CCN(Cc4cnc5ccc(C#N)cn45)CC3)nc2c1	ZINC000120524792	509013618	/nfs/dbraw/zinc/01/36/18/509013618.db2.gz	FZAVNBBHYCMPKY-UHFFFAOYSA-N	0	0	372.432	2.978	10	30		FFEERN
CCOC(=O)C[C@@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccccc1C	ZINC000175879380	509195799	/nfs/dbraw/zinc/19/57/99/509195799.db2.gz	JIXPLJGYSSBCSA-MRXNPFEDSA-N	0	0	369.425	2.921	10	30		FFEERN
N#Cc1ccc(CNC(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1	ZINC000178956960	509203617	/nfs/dbraw/zinc/20/36/17/509203617.db2.gz	XEJFCLAUPIGDLQ-YJBOKZPZSA-N	0	0	357.360	2.854	10	30		FFEERN
CC(=O)N1CC[C@@H](NC(=O)c2cccc(C#N)c2)c2ccc(F)cc2C1	ZINC000185498862	509206739	/nfs/dbraw/zinc/20/67/39/509206739.db2.gz	OGBLZSRHJIWHHB-LJQANCHMSA-N	0	0	351.381	2.921	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000175983334	509255081	/nfs/dbraw/zinc/25/50/81/509255081.db2.gz	QUQTYIGDFBFMGH-QGZVFWFLSA-N	0	0	367.453	2.743	10	30		FFEERN
CN1c2ccccc2N(C)C1=C1C(=O)CN([C@@H]2CCO[C@@H](C3CC3)C2)C1=N	ZINC000248397155	509292451	/nfs/dbraw/zinc/29/24/51/509292451.db2.gz	RHXYHVFXLWNEBJ-RDTXWAMCSA-N	0	0	366.465	2.604	10	30		FFEERN
Cc1ccc(N2CCCN(C(=O)c3cccc(SCC#N)c3)CC2)nn1	ZINC000176050337	509296655	/nfs/dbraw/zinc/29/66/55/509296655.db2.gz	UQOJHOHQEQCUCQ-UHFFFAOYSA-N	0	0	367.478	2.753	10	30		FFEERN
CCn1cnnc1[C@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000173608236	509673481	/nfs/dbraw/zinc/67/34/81/509673481.db2.gz	GAPDATUMTOSGIX-INIZCTEOSA-N	0	0	363.425	2.599	10	30		FFEERN
Cc1cccc(NC(=O)C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)c1C#N	ZINC000173655168	509701624	/nfs/dbraw/zinc/70/16/24/509701624.db2.gz	NIBNTVUQUCYPGU-OAHLLOKOSA-N	0	0	373.416	2.868	10	30		FFEERN
C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249593925	509721124	/nfs/dbraw/zinc/72/11/24/509721124.db2.gz	WFLYXCSNFZVPED-COXVUDFISA-N	0	0	355.463	2.655	10	30		FFEERN
Cn1ccnc1CC1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000173691906	509724408	/nfs/dbraw/zinc/72/44/08/509724408.db2.gz	JCIZFQJPRCFSGS-UHFFFAOYSA-N	0	0	362.437	2.796	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1	ZINC000249940696	509780872	/nfs/dbraw/zinc/78/08/72/509780872.db2.gz	SXSLEKZNZBBCLT-GPMSIDNRSA-N	0	0	366.527	2.855	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCC(c2ccnn2C)CC1	ZINC000173794656	509782623	/nfs/dbraw/zinc/78/26/23/509782623.db2.gz	MQODZHUCIQWKNF-UHFFFAOYSA-N	0	0	356.401	2.983	10	30		FFEERN
Cc1ccc(N2C[C@H](C(=O)Nc3nn(C(C)C)cc3C#N)CC2=O)cc1	ZINC000176993467	509805231	/nfs/dbraw/zinc/80/52/31/509805231.db2.gz	WRUJYWRVEAZQEN-CQSZACIVSA-N	0	0	351.410	2.636	10	30		FFEERN
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(C#N)cc1	ZINC000173919529	509855307	/nfs/dbraw/zinc/85/53/07/509855307.db2.gz	XTBFVMVBESABRM-DLBZAZTESA-N	0	0	357.454	2.910	10	30		FFEERN
N#Cc1nn(-c2cccc(C(F)(F)F)c2)nc1N1CCCC[C@@H]1CCO	ZINC000256046206	509942772	/nfs/dbraw/zinc/94/27/72/509942772.db2.gz	DLWHMWOREVUPEM-CYBMUJFWSA-N	0	0	365.359	2.899	10	30		FFEERN
CCn1cnnc1[C@@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1	ZINC000177266201	509968669	/nfs/dbraw/zinc/96/86/69/509968669.db2.gz	OYSSBNYPXKTCLV-OAHLLOKOSA-N	0	0	355.467	2.933	10	30		FFEERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000190155472	509973911	/nfs/dbraw/zinc/97/39/11/509973911.db2.gz	FGHFSZSHFUELQR-MSOLQXFVSA-N	0	0	355.442	2.690	10	30		FFEERN
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1	ZINC000177293973	509982716	/nfs/dbraw/zinc/98/27/16/509982716.db2.gz	WTMMSVRZUBNWRC-AWEZNQCLSA-N	0	0	365.437	2.556	10	30		FFEERN
C=C(C)COc1cc(CN2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)ccc1OC	ZINC000245745852	510123768	/nfs/dbraw/zinc/12/37/68/510123768.db2.gz	MUCJMRKJYFSLOG-HKUYNNGSSA-N	0	0	362.514	2.927	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CC=C(c3ccc(O)cc3)CC2)ccc1F	ZINC000171415950	510146777	/nfs/dbraw/zinc/14/67/77/510146777.db2.gz	QTTOZKBYFLMCIH-UHFFFAOYSA-N	0	0	358.394	2.881	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1C(F)(F)F	ZINC000177629888	510169051	/nfs/dbraw/zinc/16/90/51/510169051.db2.gz	NNFIFFUCFGYARD-LSDHHAIUSA-N	0	0	374.384	2.909	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1	ZINC000245869386	510179092	/nfs/dbraw/zinc/17/90/92/510179092.db2.gz	VOMPDALAZKKERM-CJNGLKHVSA-N	0	0	353.426	2.531	10	30		FFEERN
CCC(CC)CN(CCC#N)C(=O)C1CCN(c2nccc(OC)n2)CC1	ZINC000171568145	510231318	/nfs/dbraw/zinc/23/13/18/510231318.db2.gz	YAXHQGDIDXDYGI-UHFFFAOYSA-N	0	0	373.501	2.880	10	30		FFEERN
N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1	ZINC000246202789	510359318	/nfs/dbraw/zinc/35/93/18/510359318.db2.gz	QDXNOZBTMGPUNY-LSDHHAIUSA-N	0	0	362.476	2.897	10	30		FFEERN
COCCOc1ccc(C#N)cc1NC(=O)N1CCC(c2cc[nH]n2)CC1	ZINC000184601684	510409939	/nfs/dbraw/zinc/40/99/39/510409939.db2.gz	BCVNIJBPYASWTQ-UHFFFAOYSA-N	0	0	369.425	2.718	10	30		FFEERN
N#CCOc1ccc(CC(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1	ZINC000174972401	510413335	/nfs/dbraw/zinc/41/33/35/510413335.db2.gz	VCHZTIJSNVESNF-UHFFFAOYSA-N	0	0	366.421	2.978	10	30		FFEERN
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1	ZINC000246503518	510525199	/nfs/dbraw/zinc/52/51/99/510525199.db2.gz	HTMBJJUBJIABLJ-PXNSSMCTSA-N	0	0	359.445	2.917	10	30		FFEERN
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](Oc2cccnc2)C1	ZINC000246605424	510580135	/nfs/dbraw/zinc/58/01/35/510580135.db2.gz	JFOKAKKOPQXDOF-XBPCWFMRSA-N	0	0	370.497	2.854	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N1CCN(Cc2cnc(C)s2)CC1	ZINC000188095639	510590957	/nfs/dbraw/zinc/59/09/57/510590957.db2.gz	BNSRRDVDULYXNG-UHFFFAOYSA-N	0	0	370.478	2.813	10	30		FFEERN
N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCc2ncnn2C1	ZINC000181792312	510595555	/nfs/dbraw/zinc/59/55/55/510595555.db2.gz	YVUHVSMXVMUVSF-HNNXBMFYSA-N	0	0	359.389	2.687	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1	ZINC000246720442	510634973	/nfs/dbraw/zinc/63/49/73/510634973.db2.gz	OAOGDRFZMVIDTK-QAPCUYQASA-N	0	0	357.360	2.583	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)cc1	ZINC000182022626	510715117	/nfs/dbraw/zinc/71/51/17/510715117.db2.gz	UANDGVYBUPNARW-SFHVURJKSA-N	0	0	367.380	2.510	10	30		FFEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000246902419	510737227	/nfs/dbraw/zinc/73/72/27/510737227.db2.gz	FVZNECPTINIECI-BLLLJJGKSA-N	0	0	354.859	2.527	10	30		FFEERN
CCn1cc([C@H]2CN(C(=O)c3cccc(SCC#N)c3)CCO2)cn1	ZINC000191709449	510796911	/nfs/dbraw/zinc/79/69/11/510796911.db2.gz	FTONIMBLYURBJG-QGZVFWFLSA-N	0	0	356.451	2.732	10	30		FFEERN
N#CCOc1ccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1	ZINC000247067002	510823477	/nfs/dbraw/zinc/82/34/77/510823477.db2.gz	VPQUXOXZZNBMBP-RCCFBDPRSA-N	0	0	355.438	2.736	10	30		FFEERN
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000247565327	510866027	/nfs/dbraw/zinc/86/60/27/510866027.db2.gz	VPXHWBBQMPLOED-CHWSQXEVSA-N	0	0	369.494	2.658	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1	ZINC000247570134	510866129	/nfs/dbraw/zinc/86/61/29/510866129.db2.gz	SIOJKBGKPSGVJC-RCCFBDPRSA-N	0	0	358.438	2.654	10	30		FFEERN
C[C@@H]1C(=O)NCCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000329978408	510892609	/nfs/dbraw/zinc/89/26/09/510892609.db2.gz	HMYMYXUSPMMTMY-HIFRSBDPSA-N	0	0	373.432	2.631	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCc2sccc2C)C1	ZINC000330122139	510920227	/nfs/dbraw/zinc/92/02/27/510920227.db2.gz	AAANYRRAKJZJPW-QWHCGFSZSA-N	0	0	350.444	2.666	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)C1	ZINC000330125840	510920966	/nfs/dbraw/zinc/92/09/66/510920966.db2.gz	BTVCSPWNKYEXAY-DDTOSNHZSA-N	0	0	374.397	2.544	10	30		FFEERN
Cn1ccnc1[C@H]1CN(C(=O)N[C@@H]2CCCc3ccccc32)CCN1C	ZINC000330336465	510968446	/nfs/dbraw/zinc/96/84/46/510968446.db2.gz	SNEMYRCOMOOQNY-QZTJIDSGSA-N	0	0	353.470	2.700	10	30		FFEERN
C=CCNC(=O)c1ccc(N2CCC(c3noc(C4CC4)n3)CC2)nc1	ZINC000302182316	511706728	/nfs/dbraw/zinc/70/67/28/511706728.db2.gz	REMRSDCMQZJWHR-UHFFFAOYSA-N	0	0	353.426	2.642	10	30		FFEERN
CC1(C)C[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C(C)(C)O1	ZINC000328603840	511890615	/nfs/dbraw/zinc/89/06/15/511890615.db2.gz	IDJPIMQYOVYXGQ-QLFBSQMISA-N	0	0	351.491	2.627	10	30		FFEERN
CCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(CC(N)=O)C1	ZINC000328605825	511891674	/nfs/dbraw/zinc/89/16/74/511891674.db2.gz	PJRAOOYGWBRLFV-CQSZACIVSA-N	0	0	355.442	2.911	10	30		FFEERN
CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C([O-])=[NH+]C[C@@H]1CCCCO1	ZINC000328636915	511903118	/nfs/dbraw/zinc/90/31/18/511903118.db2.gz	VUELODNFOUYZAR-STQMWFEESA-N	0	0	374.407	2.879	10	30		FFEERN
CN1C(=O)Cc2cc(NC(=O)N[C@H]3CCCO[C@@H]3c3ccncc3)ccc21	ZINC000328636140	511903442	/nfs/dbraw/zinc/90/34/42/511903442.db2.gz	AAKZJQZXIWNIER-QFBILLFUSA-N	0	0	366.421	2.847	10	30		FFEERN
O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1cc2c([nH]c1=O)CCCC2=O	ZINC000328663910	511912829	/nfs/dbraw/zinc/91/28/29/511912829.db2.gz	YFCQKZDRTKWXMB-FUHWJXTLSA-N	0	0	367.405	2.926	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)C1	ZINC000329060132	511975038	/nfs/dbraw/zinc/97/50/38/511975038.db2.gz	NHFKUICUTIAJMO-JCECYMMASA-N	0	0	363.502	2.581	10	30		FFEERN
Cc1cnn(C[C@@H]2CN(CC(=O)N[C@H]3CCCc4ccccc43)CCO2)c1	ZINC000329175576	511998699	/nfs/dbraw/zinc/99/86/99/511998699.db2.gz	MLPVJFYXFHFXBV-ICSRJNTNSA-N	0	0	368.481	2.926	10	30		FFEERN
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000329300770	512023209	/nfs/dbraw/zinc/02/32/09/512023209.db2.gz	VUDVAUHPATYIFB-PVAVHDDUSA-N	0	0	359.470	2.676	10	30		FFEERN
O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329374607	512035461	/nfs/dbraw/zinc/03/54/61/512035461.db2.gz	NMPZKIJDAOPFNQ-IIDMSEBBSA-N	0	0	371.437	2.874	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(C([O-])=[NH+]C[C@H]3COc4ccccc4O3)C2)c1	ZINC000329392106	512038253	/nfs/dbraw/zinc/03/82/53/512038253.db2.gz	VSJRSOPJFOXRET-CVEARBPZSA-N	0	0	356.426	2.582	10	30		FFEERN
C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1	ZINC000329388813	512038519	/nfs/dbraw/zinc/03/85/19/512038519.db2.gz	RMFONQCJBZBCMZ-LAVFITLUSA-N	0	0	355.442	2.605	10	30		FFEERN
O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)N[C@@H]1CCCCC[C@H]1O	ZINC000329397984	512039202	/nfs/dbraw/zinc/03/92/02/512039202.db2.gz	WUOBPQCDEIQLTL-HLLBOEOZSA-N	0	0	363.433	2.518	10	30		FFEERN
CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(=O)[nH]c3ccc(F)cc31)CC2	ZINC000329399021	512039874	/nfs/dbraw/zinc/03/98/74/512039874.db2.gz	AOQBJBAGBKTLIO-NSHDSACASA-N	0	0	355.373	2.553	10	30		FFEERN
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1	ZINC000329427672	512045326	/nfs/dbraw/zinc/04/53/26/512045326.db2.gz	GUBLGVXFIVBYKD-ZXYWRSMDSA-N	0	0	367.490	2.704	10	30		FFEERN
C[C@@H]1CN(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)C[C@@]2(CCCOC2)O1	ZINC000329510100	512061111	/nfs/dbraw/zinc/06/11/11/512061111.db2.gz	XJEAYIJCWZQUKL-BOFXEDATSA-N	0	0	374.481	2.948	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N[C@H]1CCOc3ccccc31)CCC2	ZINC000329517957	512062050	/nfs/dbraw/zinc/06/20/50/512062050.db2.gz	NIWIVXBPOUQIPF-DLBZAZTESA-N	0	0	370.453	2.934	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCOC[C@H]1CC(C)C)CCC2	ZINC000329543211	512067206	/nfs/dbraw/zinc/06/72/06/512067206.db2.gz	YENGYVIREPAKQP-IAGOWNOFSA-N	0	0	364.490	2.568	10	30		FFEERN
CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329581273	512072405	/nfs/dbraw/zinc/07/24/05/512072405.db2.gz	LFGIDMJYANPJRH-HZPDHXFCSA-N	0	0	359.474	2.501	10	30		FFEERN
CC(=O)N1C[C@H](CCC(=O)N[C@H](C)CN2CCOCC2)c2ccccc21	ZINC000329621418	512078426	/nfs/dbraw/zinc/07/84/26/512078426.db2.gz	MXYZTGKQSWJICD-WBVHZDCISA-N	0	0	359.470	2.594	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2CCCSC2)CCC(=O)N1C1CC1	ZINC000329705333	512088129	/nfs/dbraw/zinc/08/81/29/512088129.db2.gz	JHGAOBPQWNKAJD-DXCKQFNASA-N	0	0	362.499	2.714	10	30		FFEERN
Cc1nc([C@@H]2CCCN(C(=O)NC[C@@H](C)N3CCOCC3)C2)sc1C	ZINC000329729856	512091112	/nfs/dbraw/zinc/09/11/12/512091112.db2.gz	HRXRSKKAININCR-CZUORRHYSA-N	0	0	366.531	2.574	10	30		FFEERN
CC1(C)CCc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCCS(=O)(=O)C1	ZINC000329793725	512098011	/nfs/dbraw/zinc/09/80/11/512098011.db2.gz	VSCOYEDTCXGBRO-ZBFHGGJFSA-N	0	0	350.484	2.781	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCC3C[C@H](C)O[C@@H](C)C3)C2)n1	ZINC000329797524	512098660	/nfs/dbraw/zinc/09/86/60/512098660.db2.gz	FNWYWJBBTHTDCM-GRDNDAEWSA-N	0	0	363.506	2.725	10	30		FFEERN
CN(C)[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)c1ccccc1Cl	ZINC000329846184	512103449	/nfs/dbraw/zinc/10/34/49/512103449.db2.gz	OUPXPWMGVQRZAI-NSNWQYSKSA-N	0	0	352.862	2.951	10	30		FFEERN
Cc1c(C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)nnn1CC1CCCC1	ZINC000329881696	512105226	/nfs/dbraw/zinc/10/52/26/512105226.db2.gz	OWJAXHHPOKBRKH-INIZCTEOSA-N	0	0	361.490	2.994	10	30		FFEERN
N#Cc1nc(N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)ccc1C(F)(F)F	ZINC000407953401	512974250	/nfs/dbraw/zinc/97/42/50/512974250.db2.gz	BDQCIGQWNDURRF-IAQYHMDHSA-N	0	0	364.371	2.952	10	30		FFEERN
CC(C)(O)[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000408212458	513022026	/nfs/dbraw/zinc/02/20/26/513022026.db2.gz	WRUMJQCWEHBMNS-QAPCUYQASA-N	0	0	374.460	2.611	10	30		FFEERN
CO[C@]1(C)CCCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1	ZINC000408324950	513044393	/nfs/dbraw/zinc/04/43/93/513044393.db2.gz	TVLHDYZKAVTXFP-WIYYLYMNSA-N	0	0	370.497	2.896	10	30		FFEERN
N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1	ZINC000408334951	513046656	/nfs/dbraw/zinc/04/66/56/513046656.db2.gz	ROJNORWETBOVOA-ZBFHGGJFSA-N	0	0	350.422	2.545	10	30		FFEERN
CCOC(=O)c1cc(C#N)c(I)cc1OC(F)F	ZINC000575386355	518208594	/nfs/dbraw/zinc/20/85/94/518208594.db2.gz	QWUIXSKNNXXXSE-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	ZINC000080451381	728328114	/nfs/dbraw/zinc/32/81/14/728328114.db2.gz	AHZITPNBEGIUGS-TZMCWYRMSA-N	0	0	369.512	2.647	10	30		FFEERN
N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccnc2Cl)cc1	ZINC000103930181	728499923	/nfs/dbraw/zinc/49/99/23/728499923.db2.gz	KOGQGQBELFWLMH-CQSZACIVSA-N	0	0	372.837	2.760	10	30		FFEERN
C=CCn1c(-c2cccnc2)nn(CN2CCC([C@H](C)O)CC2)c1=S	ZINC000173355020	729044993	/nfs/dbraw/zinc/04/49/93/729044993.db2.gz	XZTXJXVBWNSZJF-AWEZNQCLSA-N	0	0	359.499	2.712	10	30		FFEERN
C#CCC(C)(C)C(=O)N1CCC(N(CC)CC(=O)OC(C)(C)C)CC1	ZINC000191021191	729413974	/nfs/dbraw/zinc/41/39/74/729413974.db2.gz	HBUQXRJAXSUOJV-UHFFFAOYSA-N	0	0	350.503	2.691	10	30		FFEERN
C=CCn1nnn(CN2CCC[C@@H](c3nc(CC)cs3)C2)c1=S	ZINC000195311381	729535740	/nfs/dbraw/zinc/53/57/40/729535740.db2.gz	ROILMDIOPBCHON-GFCCVEGCSA-N	0	0	350.517	2.851	10	30		FFEERN
COC(=O)[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	ZINC000245404071	729569435	/nfs/dbraw/zinc/56/94/35/729569435.db2.gz	NWTLQHXLHQMRJX-MCIONIFRSA-N	0	0	356.403	2.804	10	30		FFEERN
Cc1nc([C@H](C)NC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)cs1	ZINC000329556539	729798005	/nfs/dbraw/zinc/79/80/05/729798005.db2.gz	DZAQQZZYCBNOPR-JSGCOSHPSA-N	0	0	360.487	2.784	10	30		FFEERN
Cc1nc([C@H](C)NC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)cs1	ZINC000329645543	729798209	/nfs/dbraw/zinc/79/82/09/729798209.db2.gz	IRNCNEBGCCTYRY-ZANVPECISA-N	0	0	351.453	2.545	10	30		FFEERN
O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CC(=O)N(CC(F)(F)F)C1	ZINC000330171739	729800121	/nfs/dbraw/zinc/80/01/21/729800121.db2.gz	FRDSEKAJOCWQHN-RKDXNWHRSA-N	0	0	361.286	2.686	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@@H](CNc2cc(Cl)ccc2C#N)[C@H](O)C1	ZINC000702769873	734357038	/nfs/dbraw/zinc/35/70/38/734357038.db2.gz	PCHBXFZXOXCOPF-IUODEOHRSA-N	0	0	351.834	2.851	10	30		FFEERN
C=CCN(CCOC)S(=O)(=O)/C=C\c1cccc(Br)c1	ZINC000588581982	845981977	/nfs/dbraw/zinc/98/19/77/845981977.db2.gz	NXSXSHFONIWQGQ-XFFZJAGNSA-N	0	0	360.273	2.884	10	30		FFEERN
COc1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cc1-n1nnnc1C1CC1	ZINC000330225832	971291005	/nfs/dbraw/zinc/29/10/05/971291005.db2.gz	BHLKYETXGICWAQ-SWLSCSKDSA-N	0	0	368.441	2.968	10	30		FFEERN
CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)C[C@@H]1CCCO1)C2=O	ZINC000328685421	962023113	/nfs/dbraw/zinc/02/31/13/962023113.db2.gz	FOZJUZBVQRGCSN-XNDRKVBMSA-N	0	0	365.474	2.996	10	30		FFEERN
Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(CC(=O)NC(=O)NC2CC2)C1	ZINC000328944009	965096069	/nfs/dbraw/zinc/09/60/69/965096069.db2.gz	LRJNDBRWGGOUHN-JTQLQIEISA-N	0	0	373.379	2.651	10	30		FFEERN
O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N[C@H]1CCOc2ccccc21	ZINC000329092513	966775220	/nfs/dbraw/zinc/77/52/20/966775220.db2.gz	ARNGUJCDINPANO-YOEHRIQHSA-N	0	0	357.454	2.947	10	30		FFEERN
COc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1OC	ZINC000329120078	967168816	/nfs/dbraw/zinc/16/88/16/967168816.db2.gz	POZOMXVHWPHPJR-OHNRDTAOSA-N	0	0	364.442	2.607	10	30		FFEERN
CC(C)n1nnnc1-c1ccc(NC(=O)NC[C@@H]2CCC[C@@H]2O)cc1F	ZINC000329263421	967591884	/nfs/dbraw/zinc/59/18/84/967591884.db2.gz	BRIIWPCSIFGWOI-NHYWBVRUSA-N	0	0	362.409	2.547	10	30		FFEERN
N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCOC[C@@H]1c1nnc(-c2cccs2)o1	ZINC000329383657	967670599	/nfs/dbraw/zinc/67/05/99/967670599.db2.gz	OYYIYUWSDNTMEJ-RWMBFGLXSA-N	0	0	373.438	2.778	10	30		FFEERN
CN(C)C(=O)Nc1cccc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1	ZINC000329684313	967940245	/nfs/dbraw/zinc/94/02/45/967940245.db2.gz	UEXXZLBLMBOGJZ-DNVCBOLYSA-N	0	0	371.441	2.770	10	30		FFEERN
[O-]C(=[NH+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCO[C@@H](Cn2cccn2)C1	ZINC000330141911	970500757	/nfs/dbraw/zinc/50/07/57/970500757.db2.gz	XZCQQMUFAZTEDS-ZNMIVQPWSA-N	0	0	374.407	2.867	10	30		FFEERN
C#CCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)c1	ZINC000108184546	977862330	/nfs/dbraw/zinc/86/23/30/977862330.db2.gz	RIBCNPSGRJXBPW-GOSISDBHSA-N	0	0	368.458	2.932	10	30		FFEERN
C#CCOc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CC=C)C3=O)c1	ZINC000108183320	1005613226	/nfs/dbraw/zinc/61/32/26/1005613226.db2.gz	BANOKEKEMIKZAZ-UHFFFAOYSA-N	0	0	360.369	2.733	10	30		FFEERN
C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(OCC)cc2)c1	ZINC000108605677	1005691538	/nfs/dbraw/zinc/69/15/38/1005691538.db2.gz	AKCPRZLXPYWPCD-OAHLLOKOSA-N	0	0	366.417	2.913	10	30		FFEERN
CCOC(=O)c1sc2nc(C)n(/N=C/c3cccnc3)c(=O)c2c1C	ZINC000001466047	219408043	/nfs/dbraw/zinc/40/80/43/219408043.db2.gz	JPFDQPQYIOWSLN-DJKKODMXSA-N	0	0	356.407	2.529	10	30		FFEERN
O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)c1ccccc1	ZINC000004192531	219554102	/nfs/dbraw/zinc/55/41/02/219554102.db2.gz	IDAWQJVAACQITB-SMXHQDLGSA-N	0	0	372.471	2.602	10	30		FFEERN
Cn1ccnc1CC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000106164726	250245886	/nfs/dbraw/zinc/24/58/86/250245886.db2.gz	IKLVWTVSHIQUMC-UHFFFAOYSA-N	0	0	371.872	2.838	10	30		FFEERN
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1	ZINC000020369768	220324199	/nfs/dbraw/zinc/32/41/99/220324199.db2.gz	IQUAYAUEUSKKMT-KRWDZBQOSA-N	0	0	369.465	2.696	10	30		FFEERN
CCC(=O)N1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1	ZINC000301162608	258030532	/nfs/dbraw/zinc/03/05/32/258030532.db2.gz	HQXHBGNDJYLQJX-UHFFFAOYSA-N	0	0	360.364	2.766	10	30		FFEERN
Cc1nc2c(c(N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)n1)CCCC2	ZINC000302720092	258108733	/nfs/dbraw/zinc/10/87/33/258108733.db2.gz	KWGMBYBJWZYBLU-LJQANCHMSA-N	0	0	361.449	2.749	10	30		FFEERN
N#Cc1nc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-]	ZINC000302739961	258109514	/nfs/dbraw/zinc/10/95/14/258109514.db2.gz	QSATYKYCMSYKLY-AWEZNQCLSA-N	0	0	352.350	2.974	10	30		FFEERN
N#Cc1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-]	ZINC000302763595	258109820	/nfs/dbraw/zinc/10/98/20/258109820.db2.gz	YXNIAEZIFNGZDZ-UHFFFAOYSA-N	0	0	357.801	2.837	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2cc(C#N)c3ccccc3n2)CC(=O)N1C	ZINC000330115485	258155752	/nfs/dbraw/zinc/15/57/52/258155752.db2.gz	FQXZLPDFKJUERL-DYESRHJHSA-N	0	0	374.448	2.841	10	30		FFEERN
C=CCOc1ccc(/C=C2/C(=O)N(CCOC)C(C)=C2C(=O)OCC)cc1	ZINC000100208367	222238316	/nfs/dbraw/zinc/23/83/16/222238316.db2.gz	PFGQPLMTJCGRPM-NBVRZTHBSA-N	0	0	371.433	2.961	10	30		FFEERN
C=CCN1C(=O)[C@@H](C(C)C)NC12CCN(C(=O)c1ccc(C)cc1)CC2	ZINC000036020125	506394010	/nfs/dbraw/zinc/39/40/10/506394010.db2.gz	INZNYUWENLDOSD-GOSISDBHSA-N	0	0	355.482	2.570	10	30		FFEERN
C/N=C1/S/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1C	ZINC000006192152	506471380	/nfs/dbraw/zinc/47/13/80/506471380.db2.gz	VRJFHLVDSMVMRO-NKUACCQGSA-N	0	0	355.213	2.710	10	30		FFEERN
CC(C)[C@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000043069071	506694160	/nfs/dbraw/zinc/69/41/60/506694160.db2.gz	CLDAYOICDFMQHY-ZDUSSCGKSA-N	0	0	372.448	2.742	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)NC1CCN(c2ncccn2)CC1	ZINC000056609374	507057527	/nfs/dbraw/zinc/05/75/27/507057527.db2.gz	KZMAMEZOCTVYQB-UHFFFAOYSA-N	0	0	366.425	2.537	10	30		FFEERN
C[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1	ZINC000029780208	507790220	/nfs/dbraw/zinc/79/02/20/507790220.db2.gz	MGHOPQQBPDIERH-KBPBESRZSA-N	0	0	372.446	2.606	10	30		FFEERN
CCCOc1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1	ZINC000107846456	507870153	/nfs/dbraw/zinc/87/01/53/507870153.db2.gz	JBYVWXFAOAJWLX-UHFFFAOYSA-N	0	0	350.422	2.704	10	30		FFEERN
N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C1CC1	ZINC000108830394	507920736	/nfs/dbraw/zinc/92/07/36/507920736.db2.gz	HBZNVVVIHNCKNO-QGZVFWFLSA-N	0	0	373.409	2.658	10	30		FFEERN
CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H](C#N)C1CC1	ZINC000108830456	507921211	/nfs/dbraw/zinc/92/12/11/507921211.db2.gz	OHVNLZSTANAWRT-JSGCOSHPSA-N	0	0	366.508	2.769	10	30		FFEERN
Cc1ccc(/C=N/N=C(\c2ccccc2)C23CN4CN(CN(C4)C2)C3)cc1	ZINC000091270674	507977586	/nfs/dbraw/zinc/97/75/86/507977586.db2.gz	RKRMKZBLJMARSZ-TYNVDDLQSA-N	0	0	359.477	2.624	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCC[C@@H](c3nncn3CC)C2)cc1OC	ZINC000109856712	507992784	/nfs/dbraw/zinc/99/27/84/507992784.db2.gz	NJCNQMDPISYOHF-MRXNPFEDSA-N	0	0	370.453	2.891	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O	ZINC000110425291	508027227	/nfs/dbraw/zinc/02/72/27/508027227.db2.gz	YOWZDYVSFIPIOX-AWEZNQCLSA-N	0	0	364.401	2.552	10	30		FFEERN
C[C@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CCCO1	ZINC000092187414	508048123	/nfs/dbraw/zinc/04/81/23/508048123.db2.gz	PJIRNXFEOGSNKM-YJNKEBTESA-N	0	0	358.442	2.510	10	30		FFEERN
C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCCn3nc(C)nc32)cc1OC	ZINC000081581767	508192745	/nfs/dbraw/zinc/19/27/45/508192745.db2.gz	QNBCABYUQRJASS-DZZUKKPASA-N	0	0	368.437	2.824	10	30		FFEERN
CCOC(=O)/C=C/C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1	ZINC000077312085	508298687	/nfs/dbraw/zinc/29/86/87/508298687.db2.gz	UZUNLIWBSHTVDE-VGOFMYFVSA-N	0	0	355.415	2.958	10	30	in-vitro	FFEERN
C=CCOc1ccccc1CNC(=O)N[C@H]1CCCn2nc(CC)nc21	ZINC000087102386	508336142	/nfs/dbraw/zinc/33/61/42/508336142.db2.gz	SYIKVXSESAOSMX-HNNXBMFYSA-N	0	0	355.442	2.740	10	30		FFEERN
N#Cc1ccc(C(=O)N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1	ZINC000115155558	508372644	/nfs/dbraw/zinc/37/26/44/508372644.db2.gz	JQRNUVJIEPSWRK-UHFFFAOYSA-N	0	0	371.444	2.702	10	30		FFEERN
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)CC1	ZINC000106037158	508389206	/nfs/dbraw/zinc/38/92/06/508389206.db2.gz	WLHVPFJYKUFSNM-LJQANCHMSA-N	0	0	370.497	2.840	10	30		FFEERN
C=CCSc1ccccc1NC(=O)CN1CCO[C@@H](Cn2cccn2)C1	ZINC000106192456	508397639	/nfs/dbraw/zinc/39/76/39/508397639.db2.gz	WPXUIBHEQGFTTO-MRXNPFEDSA-N	0	0	372.494	2.501	10	30		FFEERN
CCc1nccn1[C@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000106217339	508398126	/nfs/dbraw/zinc/39/81/26/508398126.db2.gz	DCNYBVFEDHPRCA-KRWDZBQOSA-N	0	0	357.502	2.767	10	30		FFEERN
COc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c(C)nn1C	ZINC000152422202	508443163	/nfs/dbraw/zinc/44/31/63/508443163.db2.gz	WAHNPZHUMKKCHO-UHFFFAOYSA-N	0	0	367.434	2.908	10	30		FFEERN
C=CCCCCCN(C)C(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000156857318	508487962	/nfs/dbraw/zinc/48/79/62/508487962.db2.gz	PMRSYSUZSRQBMI-ZDUSSCGKSA-N	0	0	373.409	2.784	10	30		FFEERN
CCc1nc(C2(NCC(=O)Nc3oc(C)c(C)c3C#N)CCCC2)no1	ZINC000157011673	508510711	/nfs/dbraw/zinc/51/07/11/508510711.db2.gz	PJSPBCUKBGAZOA-UHFFFAOYSA-N	0	0	357.414	2.711	10	30		FFEERN
CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1	ZINC000157061774	508517522	/nfs/dbraw/zinc/51/75/22/508517522.db2.gz	DMOCEBLHKKOEHZ-PXNSSMCTSA-N	0	0	371.481	2.869	10	30		FFEERN
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000134647601	508554779	/nfs/dbraw/zinc/55/47/79/508554779.db2.gz	SNWPAYDRBOZCAR-KRWDZBQOSA-N	0	0	365.437	2.981	10	30		FFEERN
CCOCCN1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C	ZINC000157639986	508591055	/nfs/dbraw/zinc/59/10/55/508591055.db2.gz	CAJZOXWJZRFYON-INIZCTEOSA-N	0	0	374.485	2.920	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1	ZINC000135452452	508607079	/nfs/dbraw/zinc/60/70/79/508607079.db2.gz	WEKLOUXLPHTLQV-AQDCRGGLSA-N	0	0	364.401	2.908	10	30		FFEERN
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1	ZINC000157998900	508643556	/nfs/dbraw/zinc/64/35/56/508643556.db2.gz	MSNGPTGFZLOYLU-LJQANCHMSA-N	0	0	365.433	2.719	10	30		FFEERN
C[C@@H](c1ccc(C#N)cc1)N1CCN(C[C@@H](O)COc2ccccc2)CC1	ZINC000118398534	508648935	/nfs/dbraw/zinc/64/89/35/508648935.db2.gz	QBWHXVDATTVLIV-GHTZIAJQSA-N	0	0	365.477	2.677	10	30		FFEERN
C=C(C)Cn1c(SCc2nnc(CC)n2C)nnc1-c1ccncc1	ZINC000123300744	508665631	/nfs/dbraw/zinc/66/56/31/508665631.db2.gz	GTKDDWLJJFCFLN-UHFFFAOYSA-N	0	0	355.471	2.899	10	30		FFEERN
CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2)C12CCCC2	ZINC000119084427	508722339	/nfs/dbraw/zinc/72/23/39/508722339.db2.gz	BXNKUPHRLDSOIR-IAGOWNOFSA-N	0	0	355.438	2.693	10	30		FFEERN
CCO[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)C12CCCC2	ZINC000119104992	508726199	/nfs/dbraw/zinc/72/61/99/508726199.db2.gz	NAESTBUKYUKITM-IRXDYDNUSA-N	0	0	355.438	2.693	10	30		FFEERN
N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000123835155	508745415	/nfs/dbraw/zinc/74/54/15/508745415.db2.gz	FICKKOXUTYULCB-MSOLQXFVSA-N	0	0	356.447	2.835	10	30		FFEERN
N#CCSc1ccccc1NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000140480712	508805282	/nfs/dbraw/zinc/80/52/82/508805282.db2.gz	MXNQCYZJEDWAMP-DNVCBOLYSA-N	0	0	359.495	2.868	10	30		FFEERN
N#CCSc1ccccc1NC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000140480880	508805544	/nfs/dbraw/zinc/80/55/44/508805544.db2.gz	MXNQCYZJEDWAMP-BEFAXECRSA-N	0	0	359.495	2.868	10	30		FFEERN
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](Oc2cccnc2)C1	ZINC000154625541	508821431	/nfs/dbraw/zinc/82/14/31/508821431.db2.gz	JFOKAKKOPQXDOF-JTEYQQGYSA-N	0	0	370.497	2.854	10	30		FFEERN
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](C)N1CCOCC1	ZINC000159643786	508870184	/nfs/dbraw/zinc/87/01/84/508870184.db2.gz	PVOFTXMGWDMHEW-ZDUSSCGKSA-N	0	0	372.387	2.721	10	30		FFEERN
CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cc(C#N)ccc1F	ZINC000121293702	509163976	/nfs/dbraw/zinc/16/39/76/509163976.db2.gz	QJLSWKHUJZZFLV-HNNXBMFYSA-N	0	0	356.405	2.747	10	30		FFEERN
C=CCOc1ccc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)cc1OC	ZINC000121300806	509164410	/nfs/dbraw/zinc/16/44/10/509164410.db2.gz	AGAYKLQJCUDSDG-HNNXBMFYSA-N	0	0	372.469	2.830	10	30		FFEERN
N#Cc1cccc(CNC(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1	ZINC000121503191	509177004	/nfs/dbraw/zinc/17/70/04/509177004.db2.gz	XKYSWGPSXUANPA-QAPCUYQASA-N	0	0	357.360	2.854	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1	ZINC000121571321	509178726	/nfs/dbraw/zinc/17/87/26/509178726.db2.gz	OAOGDRFZMVIDTK-MAUKXSAKSA-N	0	0	357.360	2.583	10	30		FFEERN
Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C2)n1	ZINC000176001533	509267116	/nfs/dbraw/zinc/26/71/16/509267116.db2.gz	OETOIVUZPBHLTM-GFCCVEGCSA-N	0	0	372.425	2.807	10	30		FFEERN
C=C(C)COC(=O)N1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1	ZINC000222894203	509325438	/nfs/dbraw/zinc/32/54/38/509325438.db2.gz	MRJRGPUQNFKJCM-UHFFFAOYSA-N	0	0	363.414	2.566	10	30		FFEERN
Cc1ccc(/C=C/C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1	ZINC000192123163	509356526	/nfs/dbraw/zinc/35/65/26/509356526.db2.gz	SVJBBEKGZBOLME-CFGKVWFZSA-N	0	0	359.429	2.797	10	30		FFEERN
CCc1ccc([C@@H]2CCCCN2C(=O)CCNC(=O)C2N=CC=CC2=O)o1	ZINC000173191360	509445745	/nfs/dbraw/zinc/44/57/45/509445745.db2.gz	CLESNXGEZRTASL-DNTCVELPSA-N	0	0	371.437	2.812	10	30		FFEERN
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2	ZINC000185988501	509466759	/nfs/dbraw/zinc/46/67/59/509466759.db2.gz	WBZISSVXZRQUPU-MOPGFXCFSA-N	0	0	374.456	2.945	10	30		FFEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CC2(CCOCC2)c2ccccc21	ZINC000189364756	509540505	/nfs/dbraw/zinc/54/05/05/509540505.db2.gz	QOOYAIZOEOLASY-UHFFFAOYSA-N	0	0	372.421	2.954	10	30		FFEERN
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](c3nc(C)cs3)C2)c1	ZINC000173385124	509566708	/nfs/dbraw/zinc/56/67/08/509566708.db2.gz	KCUKXORKLJYSIW-HNNXBMFYSA-N	0	0	353.447	2.778	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(F)c(C#N)c2)cs1	ZINC000189435041	509573838	/nfs/dbraw/zinc/57/38/38/509573838.db2.gz	FVVUKYUKUPRUKS-HNNXBMFYSA-N	0	0	358.398	2.765	10	30		FFEERN
C=CCCO[C@H](C)C(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1	ZINC000176587082	509598230	/nfs/dbraw/zinc/59/82/30/509598230.db2.gz	FDFMFXAVFOLOCZ-OAGGEKHMSA-N	0	0	352.500	2.607	10	30		FFEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(Cc2ccccn2)CC1	ZINC000176787293	509690884	/nfs/dbraw/zinc/69/08/84/509690884.db2.gz	JBLVCAAXUSGAMZ-UHFFFAOYSA-N	0	0	359.426	2.736	10	30		FFEERN
CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)no1	ZINC000173722804	509740144	/nfs/dbraw/zinc/74/01/44/509740144.db2.gz	KKWLVSPSICRXLY-CQSZACIVSA-N	0	0	364.402	2.730	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000173797400	509784445	/nfs/dbraw/zinc/78/44/45/509784445.db2.gz	PVWQLVKZCHWMOX-AWEZNQCLSA-N	0	0	371.416	2.689	10	30		FFEERN
Cc1ccc(N2C[C@@H](C(=O)Nc3nn(C(C)C)cc3C#N)CC2=O)cc1	ZINC000176993483	509805802	/nfs/dbraw/zinc/80/58/02/509805802.db2.gz	WRUJYWRVEAZQEN-AWEZNQCLSA-N	0	0	351.410	2.636	10	30		FFEERN
N#Cc1cc(C(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)ccn1	ZINC000193173882	509807276	/nfs/dbraw/zinc/80/72/76/509807276.db2.gz	HEEIVPPCJAAXON-UHFFFAOYSA-N	0	0	373.416	2.566	10	30		FFEERN
CCC(C)(C)N(CCC#N)C(=O)C1CCN(C(=O)c2ccccn2)CC1	ZINC000189940931	509841082	/nfs/dbraw/zinc/84/10/82/509841082.db2.gz	BWIRUSLPODQBIQ-UHFFFAOYSA-N	0	0	356.470	2.865	10	30		FFEERN
C[C@H](C#N)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F	ZINC000245394138	509897311	/nfs/dbraw/zinc/89/73/11/509897311.db2.gz	XHSIVJNZAOUBNZ-AWBCAMRRSA-N	0	0	361.392	2.766	10	30		FFEERN
Cc1nn(C)cc1C=NNC(=S)Nc1ccc(Br)cc1	ZINC000254765011	509910710	/nfs/dbraw/zinc/91/07/10/509910710.db2.gz	RNTWKXVKYNWWIK-UHFFFAOYSA-N	0	0	352.261	2.812	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cs1	ZINC000186998487	509995340	/nfs/dbraw/zinc/99/53/40/509995340.db2.gz	ULZXITJDVUJLLZ-KRWDZBQOSA-N	0	0	370.478	2.925	10	30		FFEERN
CCOCCN1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@H]1CC	ZINC000187068936	510037592	/nfs/dbraw/zinc/03/75/92/510037592.db2.gz	QZVAAVAHCSNNBG-LJQANCHMSA-N	0	0	355.482	2.549	10	30		FFEERN
CCO[C@@H]1C[C@@H](NC(=O)CSCc2ccc(C#N)cc2)C12CCOCC2	ZINC000187085652	510047942	/nfs/dbraw/zinc/04/79/42/510047942.db2.gz	WFSFPEYNNNWJSQ-QZTJIDSGSA-N	0	0	374.506	2.882	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C12CCOCC2	ZINC000187097051	510054698	/nfs/dbraw/zinc/05/46/98/510054698.db2.gz	SWARITJLBTXJBU-ZWKOTPCHSA-N	0	0	354.450	2.946	10	30		FFEERN
CC(C)c1nc(C2(NS(=O)(=O)c3ccc(C#N)cc3)CCCC2)no1	ZINC000177612866	510160012	/nfs/dbraw/zinc/16/00/12/510160012.db2.gz	YWIISZGJWTUOIH-UHFFFAOYSA-N	0	0	360.439	2.812	10	30		FFEERN
Cc1ccc([C@H](CNC(=O)c2cc(C#N)cs2)N2CCOCC2)s1	ZINC000177620653	510165712	/nfs/dbraw/zinc/16/57/12/510165712.db2.gz	VKJXBNUFVFAKKL-AWEZNQCLSA-N	0	0	361.492	2.793	10	30		FFEERN
N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)c(F)c1	ZINC000245886698	510187583	/nfs/dbraw/zinc/18/75/83/510187583.db2.gz	BQLAFFKHNOBJPX-IUODEOHRSA-N	0	0	368.405	2.749	10	30		FFEERN
Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)C#Cc2ccccc2)C1	ZINC000190548585	510197661	/nfs/dbraw/zinc/19/76/61/510197661.db2.gz	COYUSKJASDHBCJ-GOSISDBHSA-N	0	0	353.491	2.784	10	30		FFEERN
C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[C@@H](O)c1ccc(C#N)cc1)C2=O	ZINC000245970417	510234150	/nfs/dbraw/zinc/23/41/50/510234150.db2.gz	FJFLGCYORZBZTR-AUJRIZCKSA-N	0	0	355.438	2.728	10	30		FFEERN
N#CCSc1ccccc1NC(=O)CN1CCC(c2cc[nH]n2)CC1	ZINC000171639924	510267759	/nfs/dbraw/zinc/26/77/59/510267759.db2.gz	QPHYPWBZQZACPK-UHFFFAOYSA-N	0	0	355.467	2.843	10	30		FFEERN
N#Cc1ccc(N2CC[C@@H](N3CCC[C@@H](c4nccs4)C3)C2=O)cc1	ZINC000246160373	510329682	/nfs/dbraw/zinc/32/96/82/510329682.db2.gz	QVWWTOJULDETMW-NVXWUHKLSA-N	0	0	352.463	3.000	10	30		FFEERN
Cc1nc(CN2CCCN(C(=O)c3cccc(CC#N)c3)CC2)cs1	ZINC000171815545	510386693	/nfs/dbraw/zinc/38/66/93/510386693.db2.gz	KSPOOJMUUWFXGV-UHFFFAOYSA-N	0	0	354.479	2.866	10	30		FFEERN
Cc1ncc(CN2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)s1	ZINC000171863032	510417495	/nfs/dbraw/zinc/41/74/95/510417495.db2.gz	HUUPKPNATUBKQM-VOTSOKGWSA-N	0	0	352.463	2.681	10	30		FFEERN
N#Cc1cc(Br)ccc1NCc1cccnc1-n1cncn1	ZINC000181454332	510417828	/nfs/dbraw/zinc/41/78/28/510417828.db2.gz	UUDZQYITXPIPTI-UHFFFAOYSA-N	0	0	355.199	2.909	10	30		FFEERN
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1nnc2n1CCCC2	ZINC000178197717	510485467	/nfs/dbraw/zinc/48/54/67/510485467.db2.gz	PQCOYPJBWSDIIT-AWEZNQCLSA-N	0	0	364.453	2.921	10	30		FFEERN
CN1C(=O)CC[C@@H](C(=O)NCc2ccc(C#N)cc2F)[C@@H]1c1ccccc1	ZINC000171997125	510489831	/nfs/dbraw/zinc/48/98/31/510489831.db2.gz	DVSGUSQACVDCFZ-XLIONFOSSA-N	0	0	365.408	2.923	10	30		FFEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@@H](CNc2ccccn2)C1	ZINC000246568208	510560534	/nfs/dbraw/zinc/56/05/34/510560534.db2.gz	VHEAHTLGCZGIQV-QFBILLFUSA-N	0	0	350.422	2.601	10	30		FFEERN
COc1ccnc(N2CCC(C(=O)Nc3cccc(C#N)c3C)CC2)n1	ZINC000178373505	510572440	/nfs/dbraw/zinc/57/24/40/510572440.db2.gz	JFTBZAMGXZAXEO-UHFFFAOYSA-N	0	0	351.410	2.520	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1	ZINC000246720450	510634414	/nfs/dbraw/zinc/63/44/14/510634414.db2.gz	OAOGDRFZMVIDTK-YJBOKZPZSA-N	0	0	357.360	2.583	10	30		FFEERN
CCN(CCC#N)C(=O)CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1	ZINC000195401666	510813476	/nfs/dbraw/zinc/81/34/76/510813476.db2.gz	JMPWHMGDADVBKL-AWEZNQCLSA-N	0	0	364.515	2.576	10	30		FFEERN
CCn1cc([C@@H]2CN(C(=O)c3ccc(C4(C#N)CC4)cc3)CCO2)cn1	ZINC000191753574	510815371	/nfs/dbraw/zinc/81/53/71/510815371.db2.gz	NRBFVOODCPOJGQ-SFHVURJKSA-N	0	0	350.422	2.672	10	30		FFEERN
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000172671573	510840906	/nfs/dbraw/zinc/84/09/06/510840906.db2.gz	ILXXUCMDWHJOAG-CYBMUJFWSA-N	0	0	358.419	2.677	10	30		FFEERN
Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1c[nH]c(=O)cc1C	ZINC000329959016	510887638	/nfs/dbraw/zinc/88/76/38/510887638.db2.gz	QXWMOAOMRCULRA-KBPBESRZSA-N	0	0	362.405	2.618	10	30		FFEERN
O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)[C@H]1CCO[C@@H]1c1cccnc1	ZINC000330046824	510906374	/nfs/dbraw/zinc/90/63/74/510906374.db2.gz	HHTUUQCWTHDJLO-DOTOQJQBSA-N	0	0	358.419	2.777	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1cccc2c1OCCCO2	ZINC000330077120	510912073	/nfs/dbraw/zinc/91/20/73/510912073.db2.gz	MSAFKGLJKLFPHW-RDTXWAMCSA-N	0	0	357.410	2.816	10	30		FFEERN
COc1ccccc1N1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1	ZINC000330162857	510928852	/nfs/dbraw/zinc/92/88/52/510928852.db2.gz	UUHKTVPIPYRPAR-QMTMVMCOSA-N	0	0	370.453	2.742	10	30		FFEERN
CC(C)(C)N1C[C@@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1=O	ZINC000330194746	510933734	/nfs/dbraw/zinc/93/37/34/510933734.db2.gz	OWNDROZLQQIZME-IKGGRYGDSA-N	0	0	354.454	2.539	10	30		FFEERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CCNC(=O)C2CCCCC2)C1	ZINC000330196272	510935504	/nfs/dbraw/zinc/93/55/04/510935504.db2.gz	PZZJNJVAVJYTCF-HUUCEWRRSA-N	0	0	364.446	2.593	10	30		FFEERN
N#CC[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)C1	ZINC000334108463	511457502	/nfs/dbraw/zinc/45/75/02/511457502.db2.gz	ZVZKAKBDCBHOEP-JYJNAYRXSA-N	0	0	356.474	2.933	10	30		FFEERN
C=CCc1cc(CNc2nn3c(nccc3=O)s2)cc(OC)c1OC	ZINC000301086723	511687976	/nfs/dbraw/zinc/68/79/76/511687976.db2.gz	GTGLBRMUOOTJTK-UHFFFAOYSA-N	0	0	358.423	2.509	10	30		FFEERN
CC(C)c1nnc([C@@H]2COCCN2C(=O)Nc2ccc(Cl)cn2)o1	ZINC000328633015	511902036	/nfs/dbraw/zinc/90/20/36/511902036.db2.gz	SFWLVUQHMLCXID-NSHDSACASA-N	0	0	351.794	2.860	10	30		FFEERN
N#C[C@@H]1CN([C@@H]2CCN(c3ccccc3)C2=O)C[C@]12C(=O)Nc1ccccc12	ZINC000328674864	511913834	/nfs/dbraw/zinc/91/38/34/511913834.db2.gz	KENWYPVZRUFAEN-YOMUGFJLSA-N	0	0	372.428	2.787	10	30		FFEERN
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)N[C@@H]1CCO[C@@H]1C1CC1	ZINC000328822518	511936698	/nfs/dbraw/zinc/93/66/98/511936698.db2.gz	GGANDOXITKSDCJ-CSMYWGQOSA-N	0	0	366.483	2.564	10	30		FFEERN
CC(C)[C@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccc(F)cc1	ZINC000329152740	511995327	/nfs/dbraw/zinc/99/53/27/511995327.db2.gz	BKUFMTDKHUZYKP-LESCRADOSA-N	0	0	368.474	2.598	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)NCC2(C)CCCCCC2)CC(=O)N1C	ZINC000329189976	512000709	/nfs/dbraw/zinc/00/07/09/512000709.db2.gz	PYGWNFSESYZRLF-RHSMWYFYSA-N	0	0	361.490	2.556	10	30		FFEERN
Cc1nc(C(=O)N2CC(NC(=O)C3CCC3)C2)c(Br)s1	ZINC000329212631	512005929	/nfs/dbraw/zinc/00/59/29/512005929.db2.gz	IAPFBHYGDUVZKX-UHFFFAOYSA-N	0	0	358.261	2.795	10	30		FFEERN
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000329246716	512012865	/nfs/dbraw/zinc/01/28/65/512012865.db2.gz	VVEPUDINWSQUBD-XPABHHOTSA-N	0	0	364.408	2.883	10	30		FFEERN
COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1	ZINC000329339044	512031019	/nfs/dbraw/zinc/03/10/19/512031019.db2.gz	NMBAXKLNMYCCEU-ZFWWWQNUSA-N	0	0	366.483	2.864	10	30		FFEERN
C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CCO[C@H]1C1CC1	ZINC000329512507	512061025	/nfs/dbraw/zinc/06/10/25/512061025.db2.gz	CHJSPFKZDXHHHO-WQVCFCJDSA-N	0	0	359.474	2.794	10	30		FFEERN
CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C1	ZINC000329549037	512069164	/nfs/dbraw/zinc/06/91/64/512069164.db2.gz	CJCNXWRRNJHLQT-DLBZAZTESA-N	0	0	373.501	2.749	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@H](C)c3cccnc3)C2)nn1	ZINC000329584875	512074454	/nfs/dbraw/zinc/07/44/54/512074454.db2.gz	MABAMCXVFDSAJM-WBVHZDCISA-N	0	0	354.458	2.756	10	30		FFEERN
O=C(N=c1[nH]c2cc3c(cc2s1)OC(F)(F)O3)N1CC[C@@H](CCO)C1	ZINC000329796451	512098166	/nfs/dbraw/zinc/09/81/66/512098166.db2.gz	GYJGMAXPZMZVSS-QMMMGPOBSA-N	0	0	371.365	2.868	10	30		FFEERN
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329854682	512104435	/nfs/dbraw/zinc/10/44/35/512104435.db2.gz	WREUJUSFXOIQGJ-KBAYOESNSA-N	0	0	368.437	2.633	10	30		FFEERN
C[C@@]1(O)CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000375680184	512452213	/nfs/dbraw/zinc/45/22/13/512452213.db2.gz	RIIMEBOUZGEDRA-OXQOHEQNSA-N	0	0	374.460	2.613	10	30		FFEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000407958486	512975750	/nfs/dbraw/zinc/97/57/50/512975750.db2.gz	QRIYDRUCNJQGGL-ARFHVFGLSA-N	0	0	360.458	2.508	10	30		FFEERN
C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1	ZINC000408033502	512987084	/nfs/dbraw/zinc/98/70/84/512987084.db2.gz	MUKRQGJXVJIKCF-NOLJZWGESA-N	0	0	355.360	2.728	10	30		FFEERN
CC1(C)[C@@H]2CN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)C[C@@H]21	ZINC000408253246	513031463	/nfs/dbraw/zinc/03/14/63/513031463.db2.gz	XLVCIXMXDAWWTP-OAGGEKHMSA-N	0	0	356.445	2.964	10	30		FFEERN
CC[C@H]1CN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CCS1	ZINC000408287101	513039238	/nfs/dbraw/zinc/03/92/38/513039238.db2.gz	PAHIWYPZBKJMTK-SJORKVTESA-N	0	0	358.511	2.832	10	30		FFEERN
CC(=O)N[C@@H]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1	ZINC000408330617	513045798	/nfs/dbraw/zinc/04/57/98/513045798.db2.gz	SPKDHICSYOPGKM-OAHLLOKOSA-N	0	0	351.454	2.589	10	30		FFEERN
CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2nc(C)cc(C)c2C#N)C1	ZINC000548334199	516907719	/nfs/dbraw/zinc/90/77/19/516907719.db2.gz	SBTHTHPWJZVIPB-SFHVURJKSA-N	0	0	355.467	2.577	10	30		FFEERN
CCOC(=O)c1ccc(OC(F)F)c(C#N)c1I	ZINC000575385839	518207796	/nfs/dbraw/zinc/20/77/96/518207796.db2.gz	AAPZJWUNCZQASA-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
COC(=O)Cc1ccc(C(F)F)c(I)c1C#N	ZINC000575389662	518208843	/nfs/dbraw/zinc/20/88/43/518208843.db2.gz	XICRQYZVRLIOQV-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
C=CCC1=C[C@@]2(OC)OC(=O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C	ZINC000039094891	518689877	/nfs/dbraw/zinc/68/98/77/518689877.db2.gz	CCGXHZFEGSPDIC-GLRCHQFTSA-N	0	0	356.374	2.736	10	30	biogenic,in-vitro	FFEERN
C[C@]12CC(=O)O[C@@]1(C)C[C@@H](O)[C@H]2/C=C/C(=O)COc1cccc(Cl)c1	ZINC000616585748	520070415	/nfs/dbraw/zinc/07/04/15/520070415.db2.gz	CFCIQNKFWIUFOY-DNGFQSFESA-N	0	0	364.825	2.937	10	30		FFEERN
N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1I	ZINC000611004979	520942164	/nfs/dbraw/zinc/94/21/64/520942164.db2.gz	FFDOYUWJNGSVBW-KWQFWETISA-N	0	0	358.154	2.852	10	30		FFEERN
O=C(CSc1nnc(NN=Cc2ccc(O)cc2)[nH]1)c1ccccc1	ZINC000020509031	527050294	/nfs/dbraw/zinc/05/02/94/527050294.db2.gz	DXDIJGDUVPXJDT-VCHYOVAHSA-N	0	0	353.407	2.931	10	30		FFEERN
O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)N1CC[C@@H]2CCC[C@H]21	ZINC000330333908	568254168	/nfs/dbraw/zinc/25/41/68/568254168.db2.gz	YKQAZSFDFATKID-IRWQIABSSA-N	0	0	367.449	2.703	10	30		FFEERN
C=CCCOC(=O)CCN1C(=O)COc2cc(Br)ccc21	ZINC000103647302	728498084	/nfs/dbraw/zinc/49/80/84/728498084.db2.gz	WQWYIFIAWMPWLM-UHFFFAOYSA-N	0	0	354.200	2.684	10	30		FFEERN
CC(=O)N1CSC[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000109291165	728525891	/nfs/dbraw/zinc/52/58/91/728525891.db2.gz	KTOVNQJZYWPAOP-OLZOCXBDSA-N	0	0	358.250	2.596	10	30		FFEERN
CCc1nn(C)c(Cl)c1CN1CCN(Cc2cc(C#N)cs2)CC1	ZINC000121699819	728636486	/nfs/dbraw/zinc/63/64/86/728636486.db2.gz	AJRRMSOGQLPOGG-UHFFFAOYSA-N	0	0	363.918	2.887	10	30		FFEERN
C#CCSCCNC(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000127983356	728707826	/nfs/dbraw/zinc/70/78/26/728707826.db2.gz	BZZITIHXUMYKGO-CABCVRRESA-N	0	0	372.412	2.889	10	30		FFEERN
C=C(Br)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1	ZINC000171801068	729013795	/nfs/dbraw/zinc/01/37/95/729013795.db2.gz	KSTVJALZEGEPGF-DZGCQCFKSA-N	0	0	351.244	2.621	10	30		FFEERN
C[C@H]1[C@H](NC(=O)N2CCC(C#N)CC2)CCCN1C(=O)OC(C)(C)C	ZINC000188312811	729386882	/nfs/dbraw/zinc/38/68/82/729386882.db2.gz	GCBLOMCIONBPIZ-DZGCQCFKSA-N	0	0	350.463	2.720	10	30		FFEERN
CN1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@H]2O)[C@H]1c1ccc(Cl)c(F)c1	ZINC000328875089	729795569	/nfs/dbraw/zinc/79/55/69/729795569.db2.gz	ZIAUKXLOQXWFGL-OSMBCOQSSA-N	0	0	369.868	2.889	10	30		FFEERN
O=C(NC1CC1)N[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1	ZINC000329527421	729797924	/nfs/dbraw/zinc/79/79/24/729797924.db2.gz	SATPWSCQUJYDJU-CYZMBNFOSA-N	0	0	362.396	2.762	10	30		FFEERN
N#Cc1cc(Cl)c(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c(Cl)c1	ZINC000887008524	733871017	/nfs/dbraw/zinc/87/10/17/733871017.db2.gz	GFRXUJAKURPOOE-CHWSQXEVSA-N	0	0	355.221	2.525	10	30		FFEERN
COc1ccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cc1-n1nnnc1C1CC1	ZINC000330225825	971290771	/nfs/dbraw/zinc/29/07/71/971290771.db2.gz	BHLKYETXGICWAQ-DOMZBBRYSA-N	0	0	368.441	2.968	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)OCc3ccc(C#N)cc3F)cc2C1=O	ZINC000010890309	1013340921	/nfs/dbraw/zinc/34/09/21/1013340921.db2.gz	HFZPXBDCEFYRPO-UHFFFAOYSA-N	0	0	364.332	2.836	10	30		FFEERN
CC(=Cc1ccc([N+](=O)[O-])cc1)C(O)=C(C#N)C(=O)NCCCOC(C)C	ZINC000588447316	965053358	/nfs/dbraw/zinc/05/33/58/965053358.db2.gz	UVWVPWRHWDSWFL-IFCKCIONSA-N	0	0	373.409	2.638	10	30		FFEERN
COc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1OC	ZINC000329120079	967168941	/nfs/dbraw/zinc/16/89/41/967168941.db2.gz	POZOMXVHWPHPJR-ZBQZNYHESA-N	0	0	364.442	2.607	10	30		FFEERN
CC(C)COC(=O)N1C/C(=C/c2cocn2)C(=O)/C(=C\c2cocn2)C1	ZINC000588578981	967583831	/nfs/dbraw/zinc/58/38/31/967583831.db2.gz	JIHXBLUIKHXLRS-JJNPTMGBSA-N	0	0	357.366	2.807	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N2CCCC(C)(C)CC2)CC(=O)N1C1CC1	ZINC000329533201	967783194	/nfs/dbraw/zinc/78/31/94/967783194.db2.gz	XUHFKKYSXCWYQW-CRAIPNDOSA-N	0	0	373.501	2.651	10	30		FFEERN
COc1cccc([C@@H]2[C@H](C(=O)N[C@H]3CCC[C@@H]3C#N)CC(=O)N2C2CC2)c1	ZINC000332809608	977670894	/nfs/dbraw/zinc/67/08/94/977670894.db2.gz	HYRSCENMEZBXOA-XUMLPFHTSA-N	0	0	367.449	2.556	10	30		FFEERN
C#Cc1cccc(N(CC)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1	ZINC000103029000	1000009989	/nfs/dbraw/zinc/00/99/89/1000009989.db2.gz	AQAFGFWBFCSUQB-UHFFFAOYSA-N	0	0	367.449	2.522	10	30		FFEERN
C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccc(-n2cncn2)cc1	ZINC000110181045	1005911018	/nfs/dbraw/zinc/91/10/18/1005911018.db2.gz	ADFUZBQJPAKHOS-HNNXBMFYSA-N	0	0	361.405	2.590	10	30		FFEERN
C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-n2cnnn2)cc1Cl	ZINC000103778344	1008983396	/nfs/dbraw/zinc/98/33/96/1008983396.db2.gz	QYXBCNGUYRABBH-UHFFFAOYSA-N	0	0	369.787	2.730	10	30		FFEERN
C=CCn1nc(C(=O)OCC)c2c1CCN(Cc1cccc(OC)c1)C2	ZINC000014741537	1021679686	/nfs/dbraw/zinc/67/96/86/1021679686.db2.gz	KCQKKZQKHDEDRL-UHFFFAOYSA-N	0	0	355.438	2.813	10	30		FFEERN
C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)NC1=S	ZINC000001202457	219388349	/nfs/dbraw/zinc/38/83/49/219388349.db2.gz	WVWLXSGWPMGOHI-GXDHUFHOSA-N	0	0	356.378	2.898	10	30		FFEERN
N#Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000015311807	220151591	/nfs/dbraw/zinc/15/15/91/220151591.db2.gz	JHUIMPDEORPQJV-UHFFFAOYSA-N	0	0	355.419	2.595	10	30		FFEERN
Cc1csc([C@H]2CN(CCC(=O)Nc3ccccc3C#N)CCO2)n1	ZINC000103473191	250154851	/nfs/dbraw/zinc/15/48/51/250154851.db2.gz	JKDRZZKTUBSSKE-MRXNPFEDSA-N	0	0	356.451	2.725	10	30		FFEERN
Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N[C@H](C)C#N	ZINC000068925646	221319467	/nfs/dbraw/zinc/31/94/67/221319467.db2.gz	UQMWGVQPBZPYRG-GFCCVEGCSA-N	0	0	361.398	2.577	10	30		FFEERN
C[N@@H+]1CCO[C@@H]2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@@H]21	ZINC000328991353	258126471	/nfs/dbraw/zinc/12/64/71/258126471.db2.gz	SKSDRRBJSDEHPT-DLBZAZTESA-N	0	0	374.391	2.617	10	30		FFEERN
N#Cc1cccc(C(=O)Nc2ccc3c(c2)ncnc3N2CCOCC2)c1	ZINC000065135081	136135008	/nfs/dbraw/zinc/13/50/08/136135008.db2.gz	PBSJYRXFKVLHKC-UHFFFAOYSA-N	0	0	359.389	2.590	10	30		FFEERN
COC(=O)Cc1cc(C#N)c(I)c(C(F)(F)F)c1	ZINC000575392639	518209249	/nfs/dbraw/zinc/20/92/49/518209249.db2.gz	JRRHDIVPEIAHQM-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
COC(=O)Cc1c(C#N)ccc(I)c1C(F)(F)F	ZINC000575392220	518209304	/nfs/dbraw/zinc/20/93/04/518209304.db2.gz	DTHLKJUITYLGKG-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
COC(=O)c1cc(C#N)c(OC(F)(F)F)cc1I	ZINC000575392171	518209529	/nfs/dbraw/zinc/20/95/29/518209529.db2.gz	HXSFWFOMFICXAL-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
CCc1ccc(NC(=O)CN2CCCN(c3ncccc3C#N)CC2)cc1	ZINC000066437824	506519122	/nfs/dbraw/zinc/51/91/22/506519122.db2.gz	YWIPJIHIIGXNMK-UHFFFAOYSA-N	0	0	363.465	2.666	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)NCCOc3ccc(C)cc3)cc2C1=O	ZINC000008301104	506640014	/nfs/dbraw/zinc/64/00/14/506640014.db2.gz	JMIBAFISVWKMJT-UHFFFAOYSA-N	0	0	364.401	2.586	10	30		FFEERN
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](C)N1CCOCC1	ZINC000066955213	506711123	/nfs/dbraw/zinc/71/11/23/506711123.db2.gz	PILRAFBMRFMPHL-HUUCEWRRSA-N	0	0	362.499	2.923	10	30		FFEERN
C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000015198369	507024611	/nfs/dbraw/zinc/02/46/11/507024611.db2.gz	MSEJVZSPTJOELF-KGLIPLIRSA-N	0	0	372.446	2.606	10	30		FFEERN
CCn1cnnc1C1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1	ZINC000107305644	507842784	/nfs/dbraw/zinc/84/27/84/507842784.db2.gz	FXEPBCYVRRXCEG-CYBMUJFWSA-N	0	0	370.457	2.586	10	30		FFEERN
CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	ZINC000108818935	507920342	/nfs/dbraw/zinc/92/03/42/507920342.db2.gz	JTJSLUPUHXGRQD-RYUDHWBXSA-N	0	0	358.250	2.596	10	30		FFEERN
N#C[C@@H](NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)C1CC1	ZINC000108831506	507921263	/nfs/dbraw/zinc/92/12/63/507921263.db2.gz	MFQLGKJITFWCGY-GFCCVEGCSA-N	0	0	370.459	2.605	10	30		FFEERN
CN(C[C@H]1CCCOC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000109363108	507957465	/nfs/dbraw/zinc/95/74/65/507957465.db2.gz	IDPDYYQLPIGXQE-IAGOWNOFSA-N	0	0	374.460	2.734	10	30		FFEERN
CN(c1cccnn1)C1CCN(C(=O)CSc2ccc(C#N)cc2)CC1	ZINC000109643316	507975083	/nfs/dbraw/zinc/97/50/83/507975083.db2.gz	CUJUOVSVVCNSRX-UHFFFAOYSA-N	0	0	367.478	2.568	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)c1	ZINC000111361015	508094028	/nfs/dbraw/zinc/09/40/28/508094028.db2.gz	ALQWIGRBENWBBI-CQSZACIVSA-N	0	0	364.858	2.742	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)c1	ZINC000111736633	508117868	/nfs/dbraw/zinc/11/78/68/508117868.db2.gz	BPTCPGFLKYRZST-IBGZPJMESA-N	0	0	370.453	2.998	10	30		FFEERN
N#Cc1ccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1	ZINC000112383696	508180236	/nfs/dbraw/zinc/18/02/36/508180236.db2.gz	UHAPYXUBKWTPCK-UHFFFAOYSA-N	0	0	354.435	3.000	10	30		FFEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)CCCCOc1cccc(C#N)c1	ZINC000081581035	508192879	/nfs/dbraw/zinc/19/28/79/508192879.db2.gz	KZVYNGJZIBKTJA-QGZVFWFLSA-N	0	0	353.426	2.659	10	30		FFEERN
C[C@H](NC(=O)Nc1ccccc1)C(=O)N(CCC#N)Cc1ccccn1	ZINC000112900710	508230603	/nfs/dbraw/zinc/23/06/03/508230603.db2.gz	PQDDASCGMRUJDR-HNNXBMFYSA-N	0	0	351.410	2.534	10	30		FFEERN
C/C(=N/NC(=S)Nc1ccc(C)cc1C)c1ccc(OCC(N)=O)cc1	ZINC000097991691	508230758	/nfs/dbraw/zinc/23/07/58/508230758.db2.gz	KPNKCNFHYBTJRE-HMAPJEAMSA-N	0	0	370.478	2.878	10	30		FFEERN
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2nc(C)no2)cc1	ZINC000102033465	508265301	/nfs/dbraw/zinc/26/53/01/508265301.db2.gz	BOVUXFZRBRLXKM-UHFFFAOYSA-N	0	0	369.425	2.556	10	30		FFEERN
C[C@H](C#N)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl	ZINC000104332688	508332124	/nfs/dbraw/zinc/33/21/24/508332124.db2.gz	YCVPRLOGPUXDTM-FZKQIMNGSA-N	0	0	367.836	2.935	10	30		FFEERN
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)Cc1ccccc1	ZINC000104911853	508351434	/nfs/dbraw/zinc/35/14/34/508351434.db2.gz	IEHINOWGLFLDFJ-AZUAARDMSA-N	0	0	352.434	2.681	10	30		FFEERN
N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)c1	ZINC000088767212	508382605	/nfs/dbraw/zinc/38/26/05/508382605.db2.gz	IQBASRCRFGSEIA-AWEZNQCLSA-N	0	0	355.781	2.790	10	30		FFEERN
C=CCSc1ccccc1NC(=O)CN1CCN(CCOC)[C@@H](C)C1	ZINC000106109314	508393916	/nfs/dbraw/zinc/39/39/16/508393916.db2.gz	PAYBOTOWVAOYHU-INIZCTEOSA-N	0	0	363.527	2.556	10	30		FFEERN
Cn1cc([C@@H]2CCN(C(=O)CCCCOc3cccc(C#N)c3)C2)cn1	ZINC000116116467	508473899	/nfs/dbraw/zinc/47/38/99/508473899.db2.gz	XLSZCNGAFSYHFX-QGZVFWFLSA-N	0	0	352.438	2.857	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1	ZINC000134368515	508525423	/nfs/dbraw/zinc/52/54/23/508525423.db2.gz	ABCJNFIPNUAOII-MAUKXSAKSA-N	0	0	355.438	2.571	10	30		FFEERN
C=C[C@H](CC(=O)N1CCN(c2nccc(OCC)n2)CC1)c1ccccc1	ZINC000130692908	508832935	/nfs/dbraw/zinc/83/29/35/508832935.db2.gz	PUAIEFJHOVGOCF-QGZVFWFLSA-N	0	0	366.465	2.884	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1Cl	ZINC000159428139	508840621	/nfs/dbraw/zinc/84/06/21/508840621.db2.gz	NMKKKTNXQXYZGO-UHFFFAOYSA-N	0	0	364.858	2.509	10	30		FFEERN
Cc1ccc([C@@H]2CN(C(=O)NCCOc3ccc(C#N)cc3)CCO2)o1	ZINC000120465464	509002394	/nfs/dbraw/zinc/00/23/94/509002394.db2.gz	GSAHKMISVJJTTB-SFHVURJKSA-N	0	0	355.394	2.622	10	30		FFEERN
Cc1cnn(C[C@@H]2CN(C(=O)N[C@H](CCC#N)c3ccccc3)CCO2)c1	ZINC000151438260	509017075	/nfs/dbraw/zinc/01/70/75/509017075.db2.gz	UXWBLNFOGKZUCA-RBUKOAKNSA-N	0	0	367.453	2.647	10	30		FFEERN
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)C#N	ZINC000125889765	509041197	/nfs/dbraw/zinc/04/11/97/509041197.db2.gz	HPGWEAJNWWECBJ-NOZJJQNGSA-N	0	0	374.293	2.873	10	30		FFEERN
N#C[C@@H](NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	ZINC000161914781	509164214	/nfs/dbraw/zinc/16/42/14/509164214.db2.gz	WWRXIFVNLDFVCE-TXNUPDFCSA-N	0	0	355.482	2.612	10	30		FFEERN
C[C@H](NC(=O)C1(C#N)CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000172703668	509187793	/nfs/dbraw/zinc/18/77/93/509187793.db2.gz	JCCDDVLAABBGJH-LBPRGKRZSA-N	0	0	352.431	2.880	10	30		FFEERN
FC(F)(F)Oc1ccc(C#CCN2CCC[C@@H](n3cncn3)C2)cc1	ZINC000178974690	509209761	/nfs/dbraw/zinc/20/97/61/509209761.db2.gz	TXESQGLYDLHURL-OAHLLOKOSA-N	0	0	350.344	2.865	10	30		FFEERN
Cn1ccnc1CC1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000162390089	509214216	/nfs/dbraw/zinc/21/42/16/509214216.db2.gz	DHBMLAYPHLHTKC-UHFFFAOYSA-N	0	0	366.465	2.930	10	30		FFEERN
CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@H]2C	ZINC000188705779	509224355	/nfs/dbraw/zinc/22/43/55/509224355.db2.gz	LUDNIDRTKKIMDE-PPYMECGQSA-N	0	0	365.437	2.920	10	30		FFEERN
CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C12CCOCC2	ZINC000185969738	509455704	/nfs/dbraw/zinc/45/57/04/509455704.db2.gz	XGEZJFZBYDVHAG-QZTJIDSGSA-N	0	0	357.454	2.674	10	30		FFEERN
Cc1c([C@H](C)NS(=O)(=O)CC2(C#N)CC2)cnn1-c1ccc(F)cc1	ZINC000164494304	509507617	/nfs/dbraw/zinc/50/76/17/509507617.db2.gz	RPMWBSCIZCRCGS-LBPRGKRZSA-N	0	0	362.430	2.604	10	30		FFEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC1C2CC3CC(C2)CC1C3	ZINC000192517048	509543365	/nfs/dbraw/zinc/54/33/65/509543365.db2.gz	AKXYALMVOAOAKV-UHFFFAOYSA-N	0	0	368.481	2.994	10	30		FFEERN
Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3cccc(C)c3C#N)C2)n1	ZINC000173384888	509566392	/nfs/dbraw/zinc/56/63/92/509566392.db2.gz	YHOFHBSDZKGNQK-AWEZNQCLSA-N	0	0	368.462	2.976	10	30		FFEERN
C=CCOCCCC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1	ZINC000176591764	509601208	/nfs/dbraw/zinc/60/12/08/509601208.db2.gz	BLVOFCKIEVUACC-CVEARBPZSA-N	0	0	352.500	2.609	10	30		FFEERN
C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)COCc2ccccc2)c1	ZINC000173531118	509644017	/nfs/dbraw/zinc/64/40/17/509644017.db2.gz	JSLIZCYJYDFGBB-INIZCTEOSA-N	0	0	368.433	2.911	10	30		FFEERN
C[C@@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000173535774	509644640	/nfs/dbraw/zinc/64/46/40/509644640.db2.gz	JWMIVDXPTZPDRK-ZDUSSCGKSA-N	0	0	371.824	2.872	10	30		FFEERN
COc1cc(/C=C/C(=O)N2CCO[C@@H](c3ccco3)C2)ccc1OCC#N	ZINC000176736539	509665833	/nfs/dbraw/zinc/66/58/33/509665833.db2.gz	PTBWRICEHVBXPO-WSSFADSRSA-N	0	0	368.389	2.804	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21	ZINC000183261716	509685230	/nfs/dbraw/zinc/68/52/30/509685230.db2.gz	CPNOCZDDSJYIHX-OKZBNKHCSA-N	0	0	369.465	2.862	10	30		FFEERN
CC(C)c1nc(C2(NCC(=O)NC3(C#N)CCCCC3)CCCC2)no1	ZINC000173704116	509730293	/nfs/dbraw/zinc/73/02/93/509730293.db2.gz	ZLRVBBLSRSBKCM-UHFFFAOYSA-N	0	0	359.474	2.895	10	30		FFEERN
CCO[C@@H]1C[C@H](Nc2cnn(-c3ncccc3C#N)c2)C12CCOCC2	ZINC000186506329	509744950	/nfs/dbraw/zinc/74/49/50/509744950.db2.gz	RIUNHRQMFCRSRF-DLBZAZTESA-N	0	0	353.426	2.525	10	30		FFEERN
N#Cc1ccccc1Cn1cccc1CN1CCO[C@@H]([C@H]2CCCO2)C1	ZINC000249768853	509760677	/nfs/dbraw/zinc/76/06/77/509760677.db2.gz	JBSVEGDPXPIRST-NHCUHLMSSA-N	0	0	351.450	2.788	10	30		FFEERN
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1	ZINC000173768730	509765966	/nfs/dbraw/zinc/76/59/66/509765966.db2.gz	DONOMSYNAUWWCG-OALUTQOASA-N	0	0	363.417	2.611	10	30		FFEERN
N#CCOc1ccc(CC(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1	ZINC000180165804	509789918	/nfs/dbraw/zinc/78/99/18/509789918.db2.gz	QHEQDEJJGZXMCY-HNAYVOBHSA-N	0	0	372.371	2.744	10	30		FFEERN
COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCOc2c(C)cccc21	ZINC000189945537	509845378	/nfs/dbraw/zinc/84/53/78/509845378.db2.gz	ISXGJTWSJKRCSW-INIZCTEOSA-N	0	0	352.390	2.894	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21	ZINC000186841880	509910444	/nfs/dbraw/zinc/91/04/44/509910444.db2.gz	UUWCOMHZBSOALO-UYAOXDASSA-N	0	0	362.445	2.964	10	30		FFEERN
C[C@H]1CN([C@@H](CNC(=O)c2cccc(F)c2C#N)c2cccs2)CCO1	ZINC000190085706	509930649	/nfs/dbraw/zinc/93/06/49/509930649.db2.gz	XAAHVUBFYPKNFE-GUYCJALGSA-N	0	0	373.453	2.951	10	30		FFEERN
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(OC)C=C[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3	ZINC000257400465	509984119	/nfs/dbraw/zinc/98/41/19/509984119.db2.gz	CVIBZCLITOHYRS-KTBOFWEZSA-N	0	0	362.422	2.690	10	30		FFEERN
N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CCCn3ncnc32)o1	ZINC000177578273	510143774	/nfs/dbraw/zinc/14/37/74/510143774.db2.gz	BZCXIMDCUZFNTK-HNNXBMFYSA-N	0	0	363.377	2.587	10	30		FFEERN
C[C@@H]1CN([C@@H](CNC(=O)c2cc(C#N)cs2)c2cccs2)CCO1	ZINC000177620700	510166269	/nfs/dbraw/zinc/16/62/69/510166269.db2.gz	IKLYIZDUNCEZKM-OCCSQVGLSA-N	0	0	361.492	2.873	10	30		FFEERN
Cc1nc(C[C@H]2CCCN([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1	ZINC000245869389	510179973	/nfs/dbraw/zinc/17/99/73/510179973.db2.gz	VOMPDALAZKKERM-CZUORRHYSA-N	0	0	353.426	2.531	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N2CCN(c3cccs3)C(=O)C2)cc1	ZINC000184213916	510197302	/nfs/dbraw/zinc/19/73/02/510197302.db2.gz	PQOUCJPPHPCMFX-VMPITWQZSA-N	0	0	367.430	2.539	10	30		FFEERN
Cc1oc(NC(=O)CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c(C#N)c1C	ZINC000245941612	510219496	/nfs/dbraw/zinc/21/94/96/510219496.db2.gz	MNLZSFLYMBRGGY-GDBMZVCRSA-N	0	0	357.410	2.888	10	30		FFEERN
COc1ncnc2c1CN(Cc1ccc(C#N)cc1Br)CC2	ZINC000181045104	510255321	/nfs/dbraw/zinc/25/53/21/510255321.db2.gz	MFWBQRWINIXMTB-UHFFFAOYSA-N	0	0	359.227	2.678	10	30		FFEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)CC2	ZINC000177837793	510280900	/nfs/dbraw/zinc/28/09/00/510280900.db2.gz	XWCLIOPYGCPBMC-HNNXBMFYSA-N	0	0	367.453	2.562	10	30		FFEERN
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCO[C@@H](c2nccs2)C1	ZINC000246118196	510303022	/nfs/dbraw/zinc/30/30/22/510303022.db2.gz	KPGFEELKFKFXSW-NVXWUHKLSA-N	0	0	370.478	2.852	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)cc1	ZINC000181229324	510312773	/nfs/dbraw/zinc/31/27/73/510312773.db2.gz	KTWNNKFQAKDLDR-UHFFFAOYSA-N	0	0	363.352	2.655	10	30		FFEERN
CCn1cc(CN2CCCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cn1	ZINC000177921963	510327851	/nfs/dbraw/zinc/32/78/51/510327851.db2.gz	XDTSCVBAOWXFHJ-UHFFFAOYSA-N	0	0	370.432	2.654	10	30		FFEERN
N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(Cn3cccn3)CC2)c1	ZINC000184809794	510525548	/nfs/dbraw/zinc/52/55/48/510525548.db2.gz	STBKVMPPRVSPOT-UHFFFAOYSA-N	0	0	364.858	2.509	10	30		FFEERN
Cc1oncc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2C)CC1	ZINC000178387688	510579068	/nfs/dbraw/zinc/57/90/68/510579068.db2.gz	DMLVTRHAUAGJKD-UHFFFAOYSA-N	0	0	352.394	2.654	10	30		FFEERN
C[C@@H]1CN([C@H](CNC(=O)c2cccc(C#N)c2)c2cccs2)CCO1	ZINC000246794194	510678295	/nfs/dbraw/zinc/67/82/95/510678295.db2.gz	JNLIKUBODRHPQI-RHSMWYFYSA-N	0	0	355.463	2.812	10	30		FFEERN
C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1	ZINC000188286728	510690390	/nfs/dbraw/zinc/69/03/90/510690390.db2.gz	SPYKXNHWHVHBSG-APWZRJJASA-N	0	0	366.527	2.775	10	30		FFEERN
C=CC[C@@H](C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1	ZINC000188339463	510719091	/nfs/dbraw/zinc/71/90/91/510719091.db2.gz	XRFHXTZATRIKKG-QZTJIDSGSA-N	0	0	366.465	2.700	10	30		FFEERN
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1ccc(F)c(F)c1	ZINC000185399142	510835130	/nfs/dbraw/zinc/83/51/30/510835130.db2.gz	SGMXRJQVIHZNIM-SNVBAGLBSA-N	0	0	352.362	2.885	10	30		FFEERN
CCc1nccn1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C)C1	ZINC000172676612	510842757	/nfs/dbraw/zinc/84/27/57/510842757.db2.gz	YLKOEPJFLLMZAK-INIZCTEOSA-N	0	0	358.467	2.651	10	30		FFEERN
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N1C[C@@H]2CCC[C@@H]21	ZINC000329917630	510877399	/nfs/dbraw/zinc/87/73/99/510877399.db2.gz	FMODCOJXOAPNPL-YOEHRIQHSA-N	0	0	363.483	2.891	10	30		FFEERN
Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C1	ZINC000329975762	510891678	/nfs/dbraw/zinc/89/16/78/510891678.db2.gz	ZZACRIWBUYOSNK-KGLIPLIRSA-N	0	0	373.423	2.620	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)N[C@@H]2CC23CCCCC3)CC(=O)N1C	ZINC000330145151	510924801	/nfs/dbraw/zinc/92/48/01/510924801.db2.gz	SAEODNMQDXNDOX-IIDMSEBBSA-N	0	0	373.501	2.535	10	30		FFEERN
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H]1CCCc2sc(Cl)cc21	ZINC000330216524	510940111	/nfs/dbraw/zinc/94/01/11/510940111.db2.gz	NENWRNWUZXJWIW-JMJZKYOTSA-N	0	0	362.904	2.716	10	30		FFEERN
N#Cc1c(NC[C@H]2CCN(C(=O)Cc3ccccc3)C2)nc2ccccn21	ZINC000363691693	511706855	/nfs/dbraw/zinc/70/68/55/511706855.db2.gz	TZVJHIQKNJCTSI-QGZVFWFLSA-N	0	0	359.433	2.709	10	30		FFEERN
COC(=O)c1c(I)ccc(C#N)c1Br	ZINC000307118476	511766054	/nfs/dbraw/zinc/76/60/54/511766054.db2.gz	WVWIVEKDWVEOFZ-UHFFFAOYSA-N	0	0	365.952	2.712	10	30		FFEERN
CN(C)c1ccc(N[C@@H]2CCCN(C(=O)NC[C@H]3CCCO3)CC2)cn1	ZINC000328647160	511906100	/nfs/dbraw/zinc/90/61/00/511906100.db2.gz	TULVQEMYQLCMJQ-NVXWUHKLSA-N	0	0	361.490	2.507	10	30		FFEERN
O=C(N[C@@H]1CCC(=O)NC12CCC2)NC1(c2ccc3c(c2)OCO3)CC1	ZINC000328724515	511920866	/nfs/dbraw/zinc/92/08/66/511920866.db2.gz	YOTGJUATEARSIE-OAHLLOKOSA-N	0	0	357.410	2.950	10	30		FFEERN
O=C(CSCC(=O)N1CCCCC1)N[C@@H]1CCC(=O)NC12CCC2	ZINC000328718197	511921048	/nfs/dbraw/zinc/92/10/48/511921048.db2.gz	UXURRWPFRZSNCZ-CYBMUJFWSA-N	0	0	353.488	2.730	10	30		FFEERN
CN1CC[C@H](NC(=O)N[C@@H]2CCCNC2=O)[C@H]1c1ccc(Cl)cc1	ZINC000328849375	511939607	/nfs/dbraw/zinc/93/96/07/511939607.db2.gz	UBAOBOUEMIGCGL-RRFJBIMHSA-N	0	0	350.850	2.708	10	30		FFEERN
Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)s1	ZINC000328991306	511963868	/nfs/dbraw/zinc/96/38/68/511963868.db2.gz	SJPDGGBBVCQNFJ-MLGOLLRUSA-N	0	0	359.455	2.621	10	30		FFEERN
CC(C)CC(=O)N[C@H](C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)c1ccccc1	ZINC000329179149	511999571	/nfs/dbraw/zinc/99/95/71/511999571.db2.gz	MNVVWIABQQDHRE-HBFSDRIKSA-N	0	0	373.497	2.662	10	30		FFEERN
O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CCO[C@]2(CCCOC2)C1	ZINC000329187804	512001739	/nfs/dbraw/zinc/00/17/39/512001739.db2.gz	BGDKFFBYYFBELX-NVXWUHKLSA-N	0	0	372.387	2.955	10	30		FFEERN
CCC[C@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1	ZINC000329206393	512005536	/nfs/dbraw/zinc/00/55/36/512005536.db2.gz	YCMNJSROXHCAIB-YESZJQIVSA-N	0	0	350.484	2.603	10	30		FFEERN
C[C@H](NC(=O)N1CCO[C@@]2(CCCOC2)C1)c1cccc(-n2ccnc2)c1	ZINC000329235793	512009729	/nfs/dbraw/zinc/00/97/29/512009729.db2.gz	NUFDVSUVQZXPNU-JXFKEZNVSA-N	0	0	370.453	2.729	10	30		FFEERN
CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCC(n3ccnc3)CC1)C2	ZINC000329277763	512019001	/nfs/dbraw/zinc/01/90/01/512019001.db2.gz	LUDSFZUYYLDUKQ-OAHLLOKOSA-N	0	0	370.501	2.943	10	30		FFEERN
C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1cccc(N2CCCC2=O)c1	ZINC000329385965	512037568	/nfs/dbraw/zinc/03/75/68/512037568.db2.gz	SFZZVBYTPXRWDT-IAOVAPTHSA-N	0	0	370.453	2.839	10	30		FFEERN
CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329579367	512072713	/nfs/dbraw/zinc/07/27/13/512072713.db2.gz	KSKTXCONPUITFT-IAGOWNOFSA-N	0	0	373.501	2.892	10	30		FFEERN
C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(-n2cccn2)cc1	ZINC000329627963	512079421	/nfs/dbraw/zinc/07/94/21/512079421.db2.gz	HDCSQHSMHAVOMR-IAOVAPTHSA-N	0	0	353.426	2.898	10	30		FFEERN
Cc1cc(Cl)cnc1NC(=O)N1CCC(N2CCCNC2=O)CC1	ZINC000329635359	512080287	/nfs/dbraw/zinc/08/02/87/512080287.db2.gz	ULQBGDJJFWXSPD-UHFFFAOYSA-N	0	0	351.838	2.673	10	30		FFEERN
O=C(N=c1[nH]c2cc3c(cc2s1)OC(F)(F)O3)N1CC[C@H](CCO)C1	ZINC000329796446	512098300	/nfs/dbraw/zinc/09/83/00/512098300.db2.gz	GYJGMAXPZMZVSS-MRVPVSSYSA-N	0	0	371.365	2.868	10	30		FFEERN
CC(C)C(=O)N[C@@H]1CCCN(C(=O)Cc2cccc(N3CCCC3=O)c2)C1	ZINC000329900723	512106153	/nfs/dbraw/zinc/10/61/53/512106153.db2.gz	OAHAVWDVCURZEP-QGZVFWFLSA-N	0	0	371.481	2.959	10	30		FFEERN
Cc1c(Cl)cc(S(=O)(=O)N2CCSC[C@H]2C#N)cc1Cl	ZINC000408101069	512998699	/nfs/dbraw/zinc/99/86/99/512998699.db2.gz	ZIRSRLYWFVEIOF-SECBINFHSA-N	0	0	351.280	2.932	10	30		FFEERN
N#Cc1ccc(NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cc1C(F)(F)F	ZINC000408260200	513033441	/nfs/dbraw/zinc/03/34/41/513033441.db2.gz	UCGIEMLNRIVZGJ-MRXNPFEDSA-N	0	0	366.343	2.711	10	30		FFEERN
COC(=O)Cc1c(I)cc(C(F)F)cc1C#N	ZINC000575389640	518208916	/nfs/dbraw/zinc/20/89/16/518208916.db2.gz	VBAGKGUTSLEKQG-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
N#CCc1cc(I)c([N+](=O)[O-])cc1OC(F)F	ZINC000575668536	518245310	/nfs/dbraw/zinc/24/53/10/518245310.db2.gz	WKKTWKZLZIATBH-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
O=C(NCc1ccsc1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1	ZINC000328616791	527584870	/nfs/dbraw/zinc/58/48/70/527584870.db2.gz	CASGVGYKLAIVAV-INIZCTEOSA-N	0	0	373.482	2.626	10	30		FFEERN
[O-]C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)=[NH+]Cc1cscn1	ZINC000328639296	527585304	/nfs/dbraw/zinc/58/53/04/527585304.db2.gz	WWLMOZBLOJZOPP-VIFPVBQESA-N	0	0	359.377	2.625	10	30		FFEERN
C=CCn1c(=S)n(CN2CCO[C@@H](c3nccs3)C2)nc1C1CC1	ZINC000152257871	728754435	/nfs/dbraw/zinc/75/44/35/728754435.db2.gz	HUIOUPJZGCYLAD-CYBMUJFWSA-N	0	0	363.512	2.965	10	30		FFEERN
N#C[C@@H](COC(=O)Cn1ccc(=O)c2ccccc21)Cc1cccs1	ZINC000089293715	728441287	/nfs/dbraw/zinc/44/12/87/728441287.db2.gz	RNTYUJRBGQBOFW-AWEZNQCLSA-N	0	0	352.415	2.989	10	30		FFEERN
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCCCC#N	ZINC000194280488	729506012	/nfs/dbraw/zinc/50/60/12/729506012.db2.gz	DQSYPTYEZXIMFU-CQSZACIVSA-N	0	0	367.789	2.850	10	30		FFEERN
C[C@H](NC(=O)N1C[C@@H]2COC[C@H](C1)O2)c1ccccc1Br	ZINC000328765187	729795073	/nfs/dbraw/zinc/79/50/73/729795073.db2.gz	AMAPYBMWTQAEQU-SDDRHHMPSA-N	0	0	355.232	2.524	10	30		FFEERN
Cc1ccc([C@@H](NC(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C2CC2)cc1	ZINC000329210074	729796777	/nfs/dbraw/zinc/79/67/77/729796777.db2.gz	ZHYGGRBWZWNTIX-YQVWRLOYSA-N	0	0	362.495	2.522	10	30		FFEERN
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1	ZINC000330192400	729800190	/nfs/dbraw/zinc/80/01/90/729800190.db2.gz	XVQFXLRUVPWKSS-UXLLHSPISA-N	0	0	368.499	2.761	10	30		FFEERN
C[C@@H]1CN(Cc2csc(NC(=O)N[C@@H]3CCC[C@H]3C#N)n2)C[C@H](C)O1	ZINC000332877496	729804929	/nfs/dbraw/zinc/80/49/29/729804929.db2.gz	AIZRTHUYDDYBEF-SFDCQRBFSA-N	0	0	363.487	2.566	10	30		FFEERN
Cc1nc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Cl)cc1C#N	ZINC000702794647	734357665	/nfs/dbraw/zinc/35/76/65/734357665.db2.gz	HGFGQXOMIYEZGS-JSGCOSHPSA-N	0	0	366.849	2.555	10	30		FFEERN
Cc1nnc2n1C[C@H](CNC(=O)[C@@H]1C[C@@]13CCOc1ccccc13)CC2	ZINC000329701250	967953638	/nfs/dbraw/zinc/95/36/38/967953638.db2.gz	HGVUCOUFPFNJQI-DKICVRJWSA-N	0	0	352.438	2.846	10	30		FFEERN
C#Cc1cccc(N(C)C(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)c1	ZINC000103031760	1000010314	/nfs/dbraw/zinc/01/03/14/1000010314.db2.gz	VGMXWBDRSBBRCH-FQEVSTJZSA-N	0	0	350.418	2.907	10	30		FFEERN
COc1cccc([C@@H]2C[C@H]2C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1	ZINC000106985591	1005368583	/nfs/dbraw/zinc/36/85/83/1005368583.db2.gz	AEZOXTBBTVGCCI-GVDBMIGSSA-N	0	0	350.422	2.993	10	30		FFEERN
C#CCOc1cccc(COC(=O)Cc2ccc(S(=O)(=O)CC)cc2)c1	ZINC000107021099	1005369217	/nfs/dbraw/zinc/36/92/17/1005369217.db2.gz	CQRZYLKFYGALAB-UHFFFAOYSA-N	0	0	372.442	2.778	10	30		FFEERN
COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ncon3)cc2)cc1	ZINC000107409487	1005438461	/nfs/dbraw/zinc/43/84/61/1005438461.db2.gz	FAHBFTCRBZWLIW-MRXNPFEDSA-N	0	0	362.345	2.706	10	30		FFEERN
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccnc3ccccc32)cc1	ZINC000041058235	203779496	/nfs/dbraw/zinc/77/94/96/203779496.db2.gz	QPDIQDPEHTYMJY-UHFFFAOYSA-N	0	0	367.430	2.951	10	30		FFEERN
CC(C)c1ccc(C#N)c(SCC(=O)Nc2ccccc2C(N)=O)n1	ZINC000005481977	204210999	/nfs/dbraw/zinc/21/09/99/204210999.db2.gz	JYSOAJWMFXKCCE-UHFFFAOYSA-N	0	0	354.435	2.906	10	30		FFEERN
CCNC(=S)N/N=C/c1ccc(OCc2ccc(C(=O)OC)cc2)cc1	ZINC000008773161	204344918	/nfs/dbraw/zinc/34/49/18/204344918.db2.gz	YZMZDYWTFZWINF-CIAFOILYSA-N	0	0	371.462	2.870	10	30		FFEERN
Cc1c(C(=O)Nc2ccc(C)c(C)c2)oc2c1C(=NNC(=N)N)CCC2	ZINC000040824812	205081414	/nfs/dbraw/zinc/08/14/14/205081414.db2.gz	UGTJNPGAMFQSTK-OEAKJJBVSA-N	0	0	353.426	2.981	10	30		FFEERN
CCOCc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1	ZINC000102539611	250113936	/nfs/dbraw/zinc/11/39/36/250113936.db2.gz	WQNHXDZCXXGMGI-UHFFFAOYSA-N	0	0	365.437	2.844	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN(CC(=O)Nc2oc(C)c(C)c2C#N)C1	ZINC000106214529	250254947	/nfs/dbraw/zinc/25/49/47/250254947.db2.gz	GXPYVRSATKGIRD-OAHLLOKOSA-N	0	0	355.442	2.803	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000106214876	250255759	/nfs/dbraw/zinc/25/57/59/250255759.db2.gz	OHUKFJJORVISQE-DOTOQJQBSA-N	0	0	351.454	2.981	10	30		FFEERN
Cc1ccc([C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CCO2)o1	ZINC000162874556	251157711	/nfs/dbraw/zinc/15/77/11/251157711.db2.gz	HGRYTPGYRCPRQI-MRXNPFEDSA-N	0	0	373.796	2.652	10	30		FFEERN
CCn1cc(CN2CCCN(c3cc(C(C)=O)ccc3C#N)CC2)cn1	ZINC000273235808	252260164	/nfs/dbraw/zinc/26/01/64/252260164.db2.gz	SJZDYIXTBQKJIL-UHFFFAOYSA-N	0	0	351.454	2.690	10	30		FFEERN
Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@@H](C)[C@H](N2CCOCC2)C1	ZINC000301577734	258056711	/nfs/dbraw/zinc/05/67/11/258056711.db2.gz	OHUQIPKUKARXNN-RDTXWAMCSA-N	0	0	354.429	2.711	10	30		FFEERN
Cc1cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(C#N)c(C)n1	ZINC000301766230	258066684	/nfs/dbraw/zinc/06/66/84/258066684.db2.gz	HKARVDQFSZQCNY-UHFFFAOYSA-N	0	0	373.460	2.943	10	30		FFEERN
Cc1nsc(N2CCN(Cc3nc4cccnc4s3)CC2)c1C#N	ZINC000329827945	258148193	/nfs/dbraw/zinc/14/81/93/258148193.db2.gz	IYHGRBCVUQRZKJ-UHFFFAOYSA-N	0	0	356.480	2.650	10	30		FFEERN
N#Cc1ccc(OC2CCN(S(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1	ZINC000333218421	258256541	/nfs/dbraw/zinc/25/65/41/258256541.db2.gz	VZFQTWAQCFNPLM-JTDSTZFVSA-N	0	0	360.479	2.920	10	30		FFEERN
COC(=O)c1c(C#N)cc(I)cc1OC(F)(F)F	ZINC000575392115	518209330	/nfs/dbraw/zinc/20/93/30/518209330.db2.gz	DXTDBLKRFUGBPO-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1C#N	ZINC000003504116	506338388	/nfs/dbraw/zinc/33/83/88/506338388.db2.gz	VWUKDDIQPHVJFX-LBPRGKRZSA-N	0	0	350.407	2.653	10	30		FFEERN
C=C1C(=O)O[C@@H]2/C=C(/C)C[C@H]3C=C(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)C(=O)O3	ZINC000043511035	506753109	/nfs/dbraw/zinc/75/31/09/506753109.db2.gz	FTPHYXGWMIZVMP-WQYRJXRXSA-N	0	0	358.390	2.554	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)cc1	ZINC000055821564	506859871	/nfs/dbraw/zinc/85/98/71/506859871.db2.gz	ZHASSBBILYRUKT-SFHVURJKSA-N	0	0	359.470	2.728	10	30		FFEERN
CCc1ccc(CNC(=O)N2CCCN(c3ncccc3C#N)CC2)s1	ZINC000056658272	507068200	/nfs/dbraw/zinc/06/82/00/507068200.db2.gz	HQMOQMYKUOHDQV-UHFFFAOYSA-N	0	0	369.494	2.999	10	30		FFEERN
C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccc2c(c1)OCCO2	ZINC000089601293	507850358	/nfs/dbraw/zinc/85/03/58/507850358.db2.gz	PCRDDIWUQSWHAN-AWEZNQCLSA-N	0	0	352.390	2.780	10	30		FFEERN
N#Cc1ccc(N2CCN(CCOCCOc3ccccc3)CC2)c(F)c1	ZINC000110299098	508019542	/nfs/dbraw/zinc/01/95/42/508019542.db2.gz	PKYUIJSAQHIYFS-UHFFFAOYSA-N	0	0	369.440	2.915	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C	ZINC000110426405	508027783	/nfs/dbraw/zinc/02/77/83/508027783.db2.gz	MJUOTPLIYNANQW-IBGZPJMESA-N	0	0	367.449	2.717	10	30		FFEERN
N#Cc1ccc(CSCC(=O)N2CCO[C@@H](c3nccs3)C2)cc1	ZINC000110880115	508052557	/nfs/dbraw/zinc/05/25/57/508052557.db2.gz	JGGJQUGKVGDWJQ-OAHLLOKOSA-N	0	0	359.476	2.848	10	30		FFEERN
C#Cc1cccc(NC(=O)N2CCN([C@@H](C)c3nc(CC)no3)CC2)c1	ZINC000112122970	508153073	/nfs/dbraw/zinc/15/30/73/508153073.db2.gz	DCULWEBLSKDRMZ-AWEZNQCLSA-N	0	0	353.426	2.524	10	30		FFEERN
C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	ZINC000076098529	508158556	/nfs/dbraw/zinc/15/85/56/508158556.db2.gz	HDZGMFBXJJNDKK-IFXJQAMLSA-N	0	0	363.417	2.795	10	30		FFEERN
COc1ccc(-c2nc([C@H]3CN(c4ncccc4C#N)CCO3)no2)cc1	ZINC000095999714	508201442	/nfs/dbraw/zinc/20/14/42/508201442.db2.gz	IUEWYNMNODBICH-MRXNPFEDSA-N	0	0	363.377	2.590	10	30		FFEERN
CCn1cc(CN2CCCN(c3snc(Cl)c3C#N)CC2)cn1	ZINC000112695489	508210006	/nfs/dbraw/zinc/21/00/06/508210006.db2.gz	KDPRXSYWIBBJLT-UHFFFAOYSA-N	0	0	350.879	2.597	10	30		FFEERN
C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(CCC#N)Cc1cccnc1	ZINC000112882850	508229079	/nfs/dbraw/zinc/22/90/79/508229079.db2.gz	FOCZQIWJQOXWKV-OAHLLOKOSA-N	0	0	351.410	2.534	10	30		FFEERN
N#CCCn1cc(C(=O)CN2CCC(n3cncn3)CC2)c2ccccc21	ZINC000103472013	508314231	/nfs/dbraw/zinc/31/42/31/508314231.db2.gz	FQPVRVFOZMTDCZ-UHFFFAOYSA-N	0	0	362.437	2.666	10	30		FFEERN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1CCN(C(C)=O)CC1	ZINC000105313234	508369730	/nfs/dbraw/zinc/36/97/30/508369730.db2.gz	FADMCBOXIKWXDD-UHFFFAOYSA-N	0	0	374.441	2.551	10	30		FFEERN
Cc1cnn([C@H]2CCCN(CC(=O)N(CCC#N)c3ccccc3)C2)c1	ZINC000106224765	508398148	/nfs/dbraw/zinc/39/81/48/508398148.db2.gz	CTXFDGOLKIYYDW-IBGZPJMESA-N	0	0	351.454	2.775	10	30		FFEERN
CC(C)c1nc2c(n1C)CCN(CC(=O)N(CCC#N)c1ccccc1)C2	ZINC000106371051	508399951	/nfs/dbraw/zinc/39/99/51/508399951.db2.gz	IUBQBWBPNQQOII-UHFFFAOYSA-N	0	0	365.481	2.848	10	30		FFEERN
C=C[C@@H](CC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1)c1ccccc1	ZINC000133569854	508418376	/nfs/dbraw/zinc/41/83/76/508418376.db2.gz	BSBUDNXHWBQJGP-WBVHZDCISA-N	0	0	354.454	2.943	10	30		FFEERN
N#Cc1ccc([C@H](O)CN2CCCC[C@@H]2c2nnc3n2CCCC3)cc1	ZINC000127363347	508438619	/nfs/dbraw/zinc/43/86/19/508438619.db2.gz	XZEOWUDNWYMUEP-QZTJIDSGSA-N	0	0	351.454	2.747	10	30		FFEERN
Cc1cnn([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)c1	ZINC000157471223	508570377	/nfs/dbraw/zinc/57/03/77/508570377.db2.gz	IPWMZQWOTLSWFJ-HNNXBMFYSA-N	0	0	364.858	2.742	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1Cl	ZINC000122783397	508585625	/nfs/dbraw/zinc/58/56/25/508585625.db2.gz	CJXNYOFGHVDMAF-CJNGLKHVSA-N	0	0	354.859	2.527	10	30		FFEERN
COCCN1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C	ZINC000117448790	508599165	/nfs/dbraw/zinc/59/91/65/508599165.db2.gz	ZTXVQSGEZTVWLD-OAHLLOKOSA-N	0	0	360.458	2.530	10	30		FFEERN
CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(OC(C)C)c(C#N)c1)CC2	ZINC000157737299	508604448	/nfs/dbraw/zinc/60/44/48/508604448.db2.gz	AAUHECROVPGIJD-OAHLLOKOSA-N	0	0	368.441	2.636	10	30		FFEERN
N#Cc1ccc(CSCC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1	ZINC000135709723	508642918	/nfs/dbraw/zinc/64/29/18/508642918.db2.gz	PBTHULUDXNAWIO-GOSISDBHSA-N	0	0	353.447	2.866	10	30		FFEERN
COc1ccc([C@@H]2C[C@H](C)N(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)cc1	ZINC000119125060	508730496	/nfs/dbraw/zinc/73/04/96/508730496.db2.gz	QQLVESXVPVDRAM-WMLDXEAASA-N	0	0	363.417	2.910	10	30		FFEERN
COc1ccc([C@H]2C[C@H](C)N(S(=O)(=O)c3ccc(C#N)nc3)C2)cc1	ZINC000159140198	508798555	/nfs/dbraw/zinc/79/85/55/508798555.db2.gz	MZTABBACUKJONL-ZFWWWQNUSA-N	0	0	357.435	2.529	10	30		FFEERN
CN1CCO[C@@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1	ZINC000150937403	508926479	/nfs/dbraw/zinc/92/64/79/508926479.db2.gz	XQJLSGULSZWUEY-IBGZPJMESA-N	0	0	366.421	2.803	10	30		FFEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1	ZINC000160148141	508945917	/nfs/dbraw/zinc/94/59/17/508945917.db2.gz	LZBMBJNUXDGNHY-MRXNPFEDSA-N	0	0	357.454	2.623	10	30		FFEERN
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1	ZINC000120250419	508957743	/nfs/dbraw/zinc/95/77/43/508957743.db2.gz	GTKKLNVLAXFKBG-KRWDZBQOSA-N	0	0	373.416	2.995	10	30		FFEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	ZINC000151272020	508990249	/nfs/dbraw/zinc/99/02/49/508990249.db2.gz	BFBYTYACEVYWMM-YJBOKZPZSA-N	0	0	367.453	2.767	10	30		FFEERN
CCc1noc(C)c1NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000155462642	509006303	/nfs/dbraw/zinc/00/63/03/509006303.db2.gz	KDWOMTANOUCWSP-MRXNPFEDSA-N	0	0	353.426	2.787	10	30		FFEERN
C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1	ZINC000132235807	509006755	/nfs/dbraw/zinc/00/67/55/509006755.db2.gz	SKQKFYNZRCWXKY-STQMWFEESA-N	0	0	356.455	2.666	10	30		FFEERN
CCc1nn(C)c(Cl)c1CN1CCN(c2nc(C)ccc2C#N)CC1	ZINC000161269841	509094636	/nfs/dbraw/zinc/09/46/36/509094636.db2.gz	WKXRBJYZNLBIAH-UHFFFAOYSA-N	0	0	358.877	2.533	10	30		FFEERN
Cc1noc([C@@H]2COCCN2Cc2cc(C#N)ccc2Br)n1	ZINC000191823885	509200045	/nfs/dbraw/zinc/20/00/45/509200045.db2.gz	KRLDEIIZHTVEMM-AWEZNQCLSA-N	0	0	363.215	2.586	10	30		FFEERN
FC(F)(F)Oc1ccc(C#CCN2CCC[C@H](n3cncn3)C2)cc1	ZINC000178974681	509210011	/nfs/dbraw/zinc/21/00/11/509210011.db2.gz	TXESQGLYDLHURL-HNNXBMFYSA-N	0	0	350.344	2.865	10	30		FFEERN
N#CCCCOc1cccnc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000188782565	509260241	/nfs/dbraw/zinc/26/02/41/509260241.db2.gz	DEWGZKCOMHSSHH-HNAYVOBHSA-N	0	0	358.442	2.923	10	30		FFEERN
C#CCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cnn(C)c1	ZINC000182571947	509310606	/nfs/dbraw/zinc/31/06/06/509310606.db2.gz	GZEGWZICYSBHAS-KRWDZBQOSA-N	0	0	374.485	2.734	10	30		FFEERN
C=C(C)[C@@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccc(F)c(F)c1	ZINC000188925288	509326917	/nfs/dbraw/zinc/32/69/17/509326917.db2.gz	DTAPSHANNXNCEU-QGZVFWFLSA-N	0	0	363.408	2.892	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)c1	ZINC000248518637	509349043	/nfs/dbraw/zinc/34/90/43/509349043.db2.gz	ATTFPNLUXFNPSO-XJKSGUPXSA-N	0	0	354.859	2.527	10	30		FFEERN
Cc1ccc(/C=C/C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1	ZINC000192123156	509356486	/nfs/dbraw/zinc/35/64/86/509356486.db2.gz	SVJBBEKGZBOLME-CTDFXDFQSA-N	0	0	359.429	2.797	10	30		FFEERN
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(c2cccs2)C(=O)C1	ZINC000185788513	509356616	/nfs/dbraw/zinc/35/66/16/509356616.db2.gz	KRMJHTAIYAYDKD-CYBMUJFWSA-N	0	0	370.434	2.920	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)N1CCO[C@H](c2cnn(CC)c2)C1	ZINC000192138017	509365862	/nfs/dbraw/zinc/36/58/62/509365862.db2.gz	NTGSVYOTSWXUMI-SFHVURJKSA-N	0	0	369.425	2.779	10	30		FFEERN
CC1(C)C[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1	ZINC000163450736	509378132	/nfs/dbraw/zinc/37/81/32/509378132.db2.gz	RWVJJKLRAULAIL-HOTGVXAUSA-N	0	0	374.460	2.923	10	30		FFEERN
C=C[C@@H](CC(=O)N1CCCN(Cc2noc(C)n2)CC1)c1ccccc1	ZINC000179387059	509415573	/nfs/dbraw/zinc/41/55/73/509415573.db2.gz	ZYYHZAILRFYHER-KRWDZBQOSA-N	0	0	354.454	2.772	10	30		FFEERN
N#CC1(NC(=O)CN2CC3(CCOCC3)c3ccccc32)CCCCC1	ZINC000192289998	509445519	/nfs/dbraw/zinc/44/55/19/509445519.db2.gz	MJDRZOYXWNBNBW-UHFFFAOYSA-N	0	0	353.466	2.897	10	30		FFEERN
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(Nc2cccnn2)CC1	ZINC000164101522	509464091	/nfs/dbraw/zinc/46/40/91/509464091.db2.gz	MJAXPGQHYBMMSC-UHFFFAOYSA-N	0	0	365.437	2.609	10	30		FFEERN
C=CCCO[C@H](C)C(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1	ZINC000176555416	509581761	/nfs/dbraw/zinc/58/17/61/509581761.db2.gz	FSTOKJDOYUHTAH-CVEARBPZSA-N	0	0	352.500	2.527	10	30		FFEERN
C=CCCO[C@@H](C)C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1	ZINC000176555428	509581780	/nfs/dbraw/zinc/58/17/80/509581780.db2.gz	FSTOKJDOYUHTAH-JKSUJKDBSA-N	0	0	352.500	2.527	10	30		FFEERN
Cc1ccc([C@H](CNC(=O)c2sccc2C#N)N2CCOCC2)s1	ZINC000176567701	509587734	/nfs/dbraw/zinc/58/77/34/509587734.db2.gz	BJFWSHCNDMEZPW-AWEZNQCLSA-N	0	0	361.492	2.793	10	30		FFEERN
N#C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCO1	ZINC000249133330	509617466	/nfs/dbraw/zinc/61/74/66/509617466.db2.gz	VDHMBMBRFAJANO-OLZOCXBDSA-N	0	0	369.252	2.506	10	30		FFEERN
Cc1ccc([C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CCO2)o1	ZINC000167786096	509640692	/nfs/dbraw/zinc/64/06/92/509640692.db2.gz	MWJBHPZILZQVMC-HNNXBMFYSA-N	0	0	366.826	2.875	10	30		FFEERN
COC(=O)C1CCC(C(=O)NCCSCc2ccccc2C#N)CC1	ZINC000179950192	509685973	/nfs/dbraw/zinc/68/59/73/509685973.db2.gz	ZZXIEAYPZVLIEG-UHFFFAOYSA-N	0	0	360.479	2.887	10	30		FFEERN
Cc1csc([C@@H]2CN([C@H](C)C(=O)Nc3ccccc3C#N)CCO2)n1	ZINC000249871953	509775961	/nfs/dbraw/zinc/77/59/61/509775961.db2.gz	KFRKTVKCIQNUOE-CJNGLKHVSA-N	0	0	356.451	2.724	10	30		FFEERN
N#Cc1ccsc1N1CC[C@@H](N2CC[C@@H](CNc3ccccn3)C2)C1=O	ZINC000177034553	509829533	/nfs/dbraw/zinc/82/95/33/509829533.db2.gz	YOSCGDKKWJESJF-GOEBONIOSA-N	0	0	367.478	2.554	10	30		FFEERN
C=CCc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc(OC)c1OC	ZINC000170896280	509838390	/nfs/dbraw/zinc/83/83/90/509838390.db2.gz	XGZOSFVDCGUHCU-MRXNPFEDSA-N	0	0	356.426	2.501	10	30		FFEERN
Cc1cnn(C[C@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)CCO2)c1	ZINC000177140829	509895602	/nfs/dbraw/zinc/89/56/02/509895602.db2.gz	YZGXBEINBWMEQH-GOSISDBHSA-N	0	0	363.383	2.963	10	30		FFEERN
CCOc1ccccc1-n1nc(C#N)c(N(CCO)Cc2ccccc2)n1	ZINC000256045775	509942763	/nfs/dbraw/zinc/94/27/63/509942763.db2.gz	AYFXBFFEWZLNLS-UHFFFAOYSA-N	0	0	363.421	2.537	10	30		FFEERN
Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)CCc1ccc(C#N)cc1	ZINC000183726478	509948439	/nfs/dbraw/zinc/94/84/39/509948439.db2.gz	XBLGQRSVJRJTGC-FQEVSTJZSA-N	0	0	365.408	2.638	10	30		FFEERN
Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000180746883	510087365	/nfs/dbraw/zinc/08/73/65/510087365.db2.gz	GCWFTKRDLNAWEY-FUHWJXTLSA-N	0	0	364.449	2.561	10	30		FFEERN
C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000245729197	510111237	/nfs/dbraw/zinc/11/12/37/510111237.db2.gz	FAIZDBVYXLJNFR-PNPHSEOMSA-N	0	0	372.371	2.938	10	30		FFEERN
C[C@H]1CN([C@@H](CNC(=O)c2cc(C#N)cs2)c2cccs2)CCO1	ZINC000177620711	510165311	/nfs/dbraw/zinc/16/53/11/510165311.db2.gz	IKLYIZDUNCEZKM-JSGCOSHPSA-N	0	0	361.492	2.873	10	30		FFEERN
C[C@H](C(=O)NCCCCC#N)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000171509205	510197946	/nfs/dbraw/zinc/19/79/46/510197946.db2.gz	WZEUHAOWLLUBPK-SECBINFHSA-N	0	0	368.220	2.788	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1C(=O)N(CC)CC	ZINC000174842471	510339496	/nfs/dbraw/zinc/33/94/96/510339496.db2.gz	BNXVXZVYQZSKNU-KRWDZBQOSA-N	0	0	359.470	2.794	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCO[C@@H](c3cnn(CC)c3)C2)c1C	ZINC000190811236	510355891	/nfs/dbraw/zinc/35/58/91/510355891.db2.gz	BLOQARWQUUPLFZ-HXUWFJFHSA-N	0	0	356.470	2.764	10	30		FFEERN
C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1nnc2n1CCCC2	ZINC000178011026	510374589	/nfs/dbraw/zinc/37/45/89/510374589.db2.gz	BGAVECNDXDZQAS-LBPRGKRZSA-N	0	0	355.446	2.925	10	30		FFEERN
COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1cnn(C)c1	ZINC000184606721	510414265	/nfs/dbraw/zinc/41/42/65/510414265.db2.gz	LHJPISFVTNTAIN-QGZVFWFLSA-N	0	0	369.425	2.686	10	30		FFEERN
Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(CC#N)cc1	ZINC000184841892	510541067	/nfs/dbraw/zinc/54/10/67/510541067.db2.gz	RDFRGWUAKWSPAJ-GOSISDBHSA-N	0	0	366.396	2.905	10	30		FFEERN
N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000181792292	510595186	/nfs/dbraw/zinc/59/51/86/510595186.db2.gz	YVUHVSMXVMUVSF-OAHLLOKOSA-N	0	0	359.389	2.687	10	30		FFEERN
COc1ccnc(NC2CCN(C(=O)Nc3cccc(C#N)c3C)CC2)n1	ZINC000188105334	510596272	/nfs/dbraw/zinc/59/62/72/510596272.db2.gz	RSWIMOQKLHAHQX-UHFFFAOYSA-N	0	0	366.425	2.774	10	30		FFEERN
C=CCSCCNC(=O)N(C)C[C@H](c1cccs1)N1CCOCC1	ZINC000178614365	510686762	/nfs/dbraw/zinc/68/67/62/510686762.db2.gz	OZAYOVKNZLRMEY-OAHLLOKOSA-N	0	0	369.556	2.682	10	30		FFEERN
Cc1csc([C@H]2CN(CC(=O)N(C)C3(C#N)CCCCC3)CCO2)n1	ZINC000195393888	510810967	/nfs/dbraw/zinc/81/09/67/510810967.db2.gz	HEEKYJBSAXLYJO-OAHLLOKOSA-N	0	0	362.499	2.510	10	30		FFEERN
C[C@@H](NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)[C@@H]1CCCO1	ZINC000175851684	510823519	/nfs/dbraw/zinc/82/35/19/510823519.db2.gz	APVSGUFKEQLFEG-UZLBHIALSA-N	0	0	362.429	2.709	10	30		FFEERN
C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)C1	ZINC000247543919	510865049	/nfs/dbraw/zinc/86/50/49/510865049.db2.gz	RHOUMCHHXNTPJO-NLDJYOPPSA-N	0	0	356.470	2.897	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@]2(CCOC2)O1	ZINC000329960263	510886897	/nfs/dbraw/zinc/88/68/97/510886897.db2.gz	NVGJOLYZHAOEAE-QVHKTLOISA-N	0	0	350.381	2.901	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)N[C@H]2CC23CCCCC3)CC(=O)N1C	ZINC000330145154	510924402	/nfs/dbraw/zinc/92/44/02/510924402.db2.gz	SAEODNMQDXNDOX-RVKKMQEKSA-N	0	0	373.501	2.535	10	30		FFEERN
CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2nc3ccccc3o2)CC1	ZINC000330211858	510939313	/nfs/dbraw/zinc/93/93/13/510939313.db2.gz	JNDZEPNKPVGFRH-YJBOKZPZSA-N	0	0	372.469	2.925	10	30		FFEERN
CC(C)C(=O)N[C@@H]1CCCN(c2ccc(C(=O)NC3CCCC3)nn2)C1	ZINC000330356990	510973595	/nfs/dbraw/zinc/97/35/95/510973595.db2.gz	SIJHGWXYZAMKOW-OAHLLOKOSA-N	0	0	359.474	2.730	10	30		FFEERN
C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCS1	ZINC000282816725	511122006	/nfs/dbraw/zinc/12/20/06/511122006.db2.gz	ZRBXUCROHSUMFK-VIFPVBQESA-N	0	0	350.387	2.703	10	30		FFEERN
COC(=O)c1ccc(C#N)c(I)c1Br	ZINC000306712317	511764765	/nfs/dbraw/zinc/76/47/65/511764765.db2.gz	YXESMLBMUFUXDJ-UHFFFAOYSA-N	0	0	365.952	2.712	10	30		FFEERN
O=C(NCC[C@@H]1CCCO1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1	ZINC000328631435	511901630	/nfs/dbraw/zinc/90/16/30/511901630.db2.gz	QXNZEVJHJCQTRA-DLBZAZTESA-N	0	0	374.485	2.618	10	30		FFEERN
CC(C)n1c([C@H]2OCC[C@H]2C)nn(Cc2cn3ccccc3c2C#N)c1=O	ZINC000328644514	511905570	/nfs/dbraw/zinc/90/55/70/511905570.db2.gz	RSEMKJDTDRGCQD-KDOFPFPSSA-N	0	0	365.437	2.896	10	30		FFEERN
Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3C[C@@H]3c3ccccc3)C2)c1=O	ZINC000328656493	511909415	/nfs/dbraw/zinc/90/94/15/511909415.db2.gz	ZJFRYILNJCDTAX-GVDBMIGSSA-N	0	0	352.438	2.509	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1)CCC2	ZINC000328655937	511909458	/nfs/dbraw/zinc/90/94/58/511909458.db2.gz	NHVQYFJAACVVCC-DLBZAZTESA-N	0	0	367.453	2.996	10	30		FFEERN
C[C@](C#N)(NC(=O)CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)C1CC1	ZINC000328707870	511918982	/nfs/dbraw/zinc/91/89/82/511918982.db2.gz	ZQLRQLIFOHYUHV-VHKYSDTDSA-N	0	0	363.421	2.630	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCC12CCOCC2	ZINC000328768773	511929553	/nfs/dbraw/zinc/92/95/53/511929553.db2.gz	BVINQORRRMIVST-JYJNAYRXSA-N	0	0	362.474	2.586	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@H]2CCCC(F)(F)C2)CCC[N@@H+]1C	ZINC000329062786	511976092	/nfs/dbraw/zinc/97/60/92/511976092.db2.gz	OAMZPHRHEYMJNY-OFQRWUPVSA-N	0	0	369.460	2.885	10	30		FFEERN
CCN1CCO[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)[C@@H]1c1ccccc1	ZINC000329080754	511978700	/nfs/dbraw/zinc/97/87/00/511978700.db2.gz	RIPCJAXZBNTRHH-IHPCNDPISA-N	0	0	368.481	2.864	10	30		FFEERN
C[C@H](NC(=O)CN1CCC[C@H]1C(=O)N1CCSCC1)c1cccs1	ZINC000329173766	511998936	/nfs/dbraw/zinc/99/89/36/511998936.db2.gz	ARAMXBYOCBLXEF-KBPBESRZSA-N	0	0	367.540	2.805	10	30		FFEERN
CC(C)(C)[C@@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)c2ccccc21	ZINC000329251204	512014153	/nfs/dbraw/zinc/01/41/53/512014153.db2.gz	BIOAYBCFQSUPGO-HLLBOEOZSA-N	0	0	355.442	2.782	10	30		FFEERN
C[C@H](C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)N1CCSCC1	ZINC000329301483	512023074	/nfs/dbraw/zinc/02/30/74/512023074.db2.gz	VVQFDZQTZBQFTA-BNOWGMLFSA-N	0	0	366.487	2.561	10	30		FFEERN
O=C(NC1CCN(c2ccccc2)CC1)N1CCn2c(nnc2C2CC2)C1	ZINC000329389767	512037979	/nfs/dbraw/zinc/03/79/79/512037979.db2.gz	UOSSYJXCPJULNH-UHFFFAOYSA-N	0	0	366.469	2.554	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(C([O-])=[NH+]C[C@@H]3COc4ccccc4O3)C2)c1	ZINC000329392109	512038230	/nfs/dbraw/zinc/03/82/30/512038230.db2.gz	VSJRSOPJFOXRET-HZPDHXFCSA-N	0	0	356.426	2.582	10	30		FFEERN
CCc1nc2n(n1)C[C@H](NC(=O)c1cc(=O)[nH]c3ccc(F)cc31)CC2	ZINC000329399020	512039409	/nfs/dbraw/zinc/03/94/09/512039409.db2.gz	AOQBJBAGBKTLIO-LLVKDONJSA-N	0	0	355.373	2.553	10	30		FFEERN
CC1(C)CCc2ccccc2[C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1	ZINC000329519750	512062247	/nfs/dbraw/zinc/06/22/47/512062247.db2.gz	ZVJIOVWOSRDMOJ-OKZBNKHCSA-N	0	0	369.469	2.825	10	30		FFEERN
C[C@@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1(C)C	ZINC000329526802	512065164	/nfs/dbraw/zinc/06/51/64/512065164.db2.gz	TYGVHCBIGIGNGS-DDUZABMNSA-N	0	0	373.501	2.507	10	30		FFEERN
Cn1cncc1[C@H]1[C@H](NC(=O)[C@H]2CCCSC2)CCC(=O)N1C1CC1	ZINC000329595889	512074671	/nfs/dbraw/zinc/07/46/71/512074671.db2.gz	VOEGCWJWWINABN-DXCKQFNASA-N	0	0	362.499	2.714	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N[C@@H]2CCCCC23CCCC3)CC(=O)N1C	ZINC000329604211	512075712	/nfs/dbraw/zinc/07/57/12/512075712.db2.gz	GSUXZAGMOIKCKX-QGPMSJSTSA-N	0	0	373.501	2.699	10	30		FFEERN
Cc1occc1CN(C)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364366091	512102049	/nfs/dbraw/zinc/10/20/49/512102049.db2.gz	YNYSSIRJYOAMPZ-GOSISDBHSA-N	0	0	351.406	2.609	10	30		FFEERN
N#Cc1cc(F)c(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1Br	ZINC000408191758	513017770	/nfs/dbraw/zinc/01/77/70/513017770.db2.gz	HWOBEJUXNXMNHX-NXEZZACHSA-N	0	0	373.247	2.880	10	30		FFEERN
CCOC(=O)c1c(C#N)ccc(I)c1OC(F)F	ZINC000575385908	518207736	/nfs/dbraw/zinc/20/77/36/518207736.db2.gz	FGCXCQXBCURKGY-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
COC(=O)Cc1cc(C#N)c(C(F)(F)F)cc1I	ZINC000575393095	518210181	/nfs/dbraw/zinc/21/01/81/518210181.db2.gz	YYCWZSGZDOYZHT-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
CC(C)Oc1ccc(S(=O)(=O)[C@H](C#N)c2nccnc2Cl)cc1	ZINC000584628269	518416633	/nfs/dbraw/zinc/41/66/33/518416633.db2.gz	IDVDTCYFJNYPMI-CYBMUJFWSA-N	0	0	351.815	2.956	10	30		FFEERN
COc1ccc(/C=C/C(=O)O/N=C(/C)c2ccc(-n3cnnn3)cc2)cc1	ZINC000005494441	523400208	/nfs/dbraw/zinc/40/02/08/523400208.db2.gz	HKMCAGNATXCMSV-VYRLADCRSA-N	0	0	363.377	2.652	10	30		FFEERN
CCN1C(=O)CC[C@H](C(=O)N[C@H](C)c2ncc(C)o2)[C@H]1c1cnn(C)c1	ZINC000330361636	568515800	/nfs/dbraw/zinc/51/58/00/568515800.db2.gz	YPLHPIRDLLSBLR-IVMMDQJWSA-N	0	0	359.430	2.734	10	30		FFEERN
C=C(Cl)CS(=O)(=O)Nc1ccc(I)cc1	ZINC000095992729	728480417	/nfs/dbraw/zinc/48/04/17/728480417.db2.gz	FCLNIFKMMVJIEL-UHFFFAOYSA-N	0	0	357.600	2.785	10	30		FFEERN
N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccnc2Cl)cc1	ZINC000103930183	728499980	/nfs/dbraw/zinc/49/99/80/728499980.db2.gz	KOGQGQBELFWLMH-AWEZNQCLSA-N	0	0	372.837	2.760	10	30		FFEERN
C#CCN1CCN(C(=O)c2ccccc2SCc2cscn2)CC1	ZINC000105322106	728504920	/nfs/dbraw/zinc/50/49/20/728504920.db2.gz	AXWJUPOEKTTWBT-UHFFFAOYSA-N	0	0	357.504	2.826	10	30		FFEERN
C#CCN(Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1CCS(=O)(=O)C1	ZINC000108866789	728522685	/nfs/dbraw/zinc/52/26/85/728522685.db2.gz	KDIJRTJMSSDSOE-OAHLLOKOSA-N	0	0	364.854	2.617	10	30		FFEERN
C=CC[C@]1(C(=O)N[C@H]2CCCC[C@H]2O)CCCN1C(=O)OC(C)(C)C	ZINC000249600200	729619552	/nfs/dbraw/zinc/61/95/52/729619552.db2.gz	NTTSMBGARODJKG-QMTMVMCOSA-N	0	0	352.475	2.752	10	30		FFEERN
Cc1nnc2n1C[C@H](CNC([O-])=[NH+][C@@H]1CCC[C@H](C(F)(F)F)C1)CC2	ZINC000329610845	729798322	/nfs/dbraw/zinc/79/83/22/729798322.db2.gz	CEELIKOIESJKKN-RWMBFGLXSA-N	0	0	359.396	2.774	10	30		FFEERN
CC(=O)Nc1ccc(C(C)=NOCc2cc(-c3cnn(C)c3)no2)cc1	ZINC000588482987	965645822	/nfs/dbraw/zinc/64/58/22/965645822.db2.gz	AEJMRWIHOXKIGB-UHFFFAOYSA-N	0	0	353.382	2.974	10	30		FFEERN
CC(C)(C)OC(=O)NC/C=C\CNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000588537272	966714753	/nfs/dbraw/zinc/71/47/53/966714753.db2.gz	IKNOZLRXUHXHEA-PLNGDYQASA-N	0	0	355.438	2.787	10	30		FFEERN
C=CCCO[C@@H](C)C(=O)OCc1cn(-c2ccc(C(F)(F)F)cn2)nn1	ZINC000102143761	966976749	/nfs/dbraw/zinc/97/67/49/966976749.db2.gz	HSPDKFMDDCUQCE-NSHDSACASA-N	0	0	370.331	2.706	10	30		FFEERN
O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCn2ccnc2C1	ZINC000329477670	967740966	/nfs/dbraw/zinc/74/09/66/967740966.db2.gz	UNIKSPBUWCUIJH-UHFFFAOYSA-N	0	0	356.470	2.788	10	30		FFEERN
Cc1ccc(N2CCC[C@@H](NC(=O)NC3(c4ccccc4)CC3)C2)nn1	ZINC000329647042	967909084	/nfs/dbraw/zinc/90/90/84/967909084.db2.gz	BFAMXSXICCRNBO-QGZVFWFLSA-N	0	0	351.454	2.947	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC([O-])=[NH+][C@@H]3CCc4ccccc4C3)C2)nn1	ZINC000329676284	967934347	/nfs/dbraw/zinc/93/43/47/967934347.db2.gz	PLRPUANNJMSJTD-MOPGFXCFSA-N	0	0	365.481	2.815	10	30		FFEERN
C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(OC)c(F)c2)c1	ZINC000108605303	1005691558	/nfs/dbraw/zinc/69/15/58/1005691558.db2.gz	PHHOQPFZBKAKBS-CYBMUJFWSA-N	0	0	370.380	2.662	10	30		FFEERN
N#CCCN1c2ccc(Cl)cc2C(c2ccccc2F)=N[C@@H](O)C1=O	ZINC000001533874	204012709	/nfs/dbraw/zinc/01/27/09/204012709.db2.gz	XAXMYHMKTCNRRZ-KRWDZBQOSA-N	0	0	357.772	2.895	10	30	world	FFEERN
CCCC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1	ZINC000004964462	204180772	/nfs/dbraw/zinc/18/07/72/204180772.db2.gz	ZNFGVWCPQMWMAW-NBVRZTHBSA-N	0	0	362.411	2.859	10	30		FFEERN
C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000045255536	249417564	/nfs/dbraw/zinc/41/75/64/249417564.db2.gz	LKZPIBQZQNPRHT-AWEZNQCLSA-N	0	0	371.462	2.864	10	30		FFEERN
N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(F)c(Cl)c2)CC1	ZINC000101623994	250083159	/nfs/dbraw/zinc/08/31/59/250083159.db2.gz	NDJPMZYTBXNXBI-UHFFFAOYSA-N	0	0	373.819	2.778	10	30		FFEERN
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(Cc2nccn2C)CC1	ZINC000106166341	250246289	/nfs/dbraw/zinc/24/62/89/250246289.db2.gz	MUOMSHZUFPGBRN-OAHLLOKOSA-N	0	0	351.454	2.573	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCOC4(CCCC4)C3)C2)n1	ZINC000151411421	251071768	/nfs/dbraw/zinc/07/17/68/251071768.db2.gz	JKLOLZPAPYHVAV-SFHVURJKSA-N	0	0	368.481	2.650	10	30		FFEERN
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](n2cncn2)C1	ZINC000175566314	251229414	/nfs/dbraw/zinc/22/94/14/251229414.db2.gz	AXRXQUKTQHSTEE-OAHLLOKOSA-N	0	0	354.414	2.806	10	30		FFEERN
CC(=O)c1ccc(C#N)cc1N1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000302112803	258088622	/nfs/dbraw/zinc/08/86/22/258088622.db2.gz	QDGBULZGHRMNTC-GJZGRUSLSA-N	0	0	369.465	2.613	10	30		FFEERN
CCn1cc(CN2CCCN(c3cc(C#N)ccc3C(C)=O)CC2)cn1	ZINC000302117022	258089349	/nfs/dbraw/zinc/08/93/49/258089349.db2.gz	RXSQHULPLZFCBY-UHFFFAOYSA-N	0	0	351.454	2.690	10	30		FFEERN
N#Cc1c(N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)nc2ccccn12	ZINC000302192567	258094085	/nfs/dbraw/zinc/09/40/85/258094085.db2.gz	RMPXEWYIPWJTFS-NSHDSACASA-N	0	0	353.332	2.702	10	30		FFEERN
N#Cc1cc(NC[C@H](CO)Cc2ccccn2)nc2ccc([N+](=O)[O-])cc12	ZINC000301571679	258056366	/nfs/dbraw/zinc/05/63/66/258056366.db2.gz	RGRJFLUMVJYEMZ-CYBMUJFWSA-N	0	0	363.377	2.673	10	30		FFEERN
N#Cc1c(Cl)nsc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1	ZINC000301646090	258060688	/nfs/dbraw/zinc/06/06/88/258060688.db2.gz	NWVDQPUTRJCAJL-GJZGRUSLSA-N	0	0	360.870	2.758	10	30		FFEERN
N#CC1(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)CCC1	ZINC000109903439	132375163	/nfs/dbraw/zinc/37/51/63/132375163.db2.gz	JQYTWSBIZMJQLX-GFCCVEGCSA-N	0	0	352.360	2.879	10	30		FFEERN
N#CCN(C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)C1CC1	ZINC000109344273	136151207	/nfs/dbraw/zinc/15/12/07/136151207.db2.gz	MRMVXRZHRPUODJ-LBPRGKRZSA-N	0	0	352.360	2.831	10	30		FFEERN
COC(=O)c1c(I)ccc(OC(F)(F)F)c1C#N	ZINC000575392575	518209373	/nfs/dbraw/zinc/20/93/73/518209373.db2.gz	RBZIYAWIAGFQJR-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
COC(=O)c1cc(I)c(C#N)cc1OC(F)(F)F	ZINC000575392122	518209443	/nfs/dbraw/zinc/20/94/43/518209443.db2.gz	FSCWADFTIWKMRL-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
C=C[C@@H](CO)[C@H](CO)[C@@H](O)c1ccc(OCc2ccccc2)c(OC)c1	ZINC000038244407	506434584	/nfs/dbraw/zinc/43/45/84/506434584.db2.gz	QSJCBSKQOLVIRO-MDKPJZGXSA-N	0	0	358.434	2.711	10	30		FFEERN
CC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1	ZINC000015595309	507049230	/nfs/dbraw/zinc/04/92/30/507049230.db2.gz	PMSFJRYQZHPOSC-UHFFFAOYSA-N	0	0	357.435	2.887	10	30		FFEERN
CC(C)CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1	ZINC000015738936	507057092	/nfs/dbraw/zinc/05/70/92/507057092.db2.gz	TYPBUOJVNTXYEI-UHFFFAOYSA-N	0	0	357.435	2.745	10	30		FFEERN
C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccc2c(c1)OCCO2	ZINC000089601294	507850525	/nfs/dbraw/zinc/85/05/25/507850525.db2.gz	PCRDDIWUQSWHAN-CQSZACIVSA-N	0	0	352.390	2.780	10	30		FFEERN
N#CCOc1cccc(CC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)c1	ZINC000089852108	507874483	/nfs/dbraw/zinc/87/44/83/507874483.db2.gz	LYYNRLXYMHYNLX-AEFFLSMTSA-N	0	0	354.406	2.839	10	30		FFEERN
C=CCn1nnnc1SCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1	ZINC000108754583	507916801	/nfs/dbraw/zinc/91/68/01/507916801.db2.gz	AVLROGRAORWKPD-AWEZNQCLSA-N	0	0	357.483	2.779	10	30		FFEERN
N#C[C@H](NC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)C1CC1	ZINC000108838180	507921447	/nfs/dbraw/zinc/92/14/47/507921447.db2.gz	LOHQOKLDAMECDS-KRWDZBQOSA-N	0	0	361.401	2.634	10	30		FFEERN
CC(C)C(=O)N[C@@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1	ZINC000110028763	508001497	/nfs/dbraw/zinc/00/14/97/508001497.db2.gz	VPNWTEMMCDFQBX-QGZVFWFLSA-N	0	0	359.495	2.555	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c1	ZINC000075378971	508103759	/nfs/dbraw/zinc/10/37/59/508103759.db2.gz	GXPXIBOGTFXINB-MDZDMXLPSA-N	0	0	355.401	2.872	10	30		FFEERN
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	ZINC000076098526	508158434	/nfs/dbraw/zinc/15/84/34/508158434.db2.gz	HDZGMFBXJJNDKK-KUHUBIRLSA-N	0	0	363.417	2.795	10	30		FFEERN
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H]1C[C@H]1C	ZINC000076099170	508158535	/nfs/dbraw/zinc/15/85/35/508158535.db2.gz	MVDUMZLOYXNLKU-WBMJQRKESA-N	0	0	350.378	2.517	10	30		FFEERN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCN(C(=O)c2cccs2)CC1	ZINC000112352069	508177680	/nfs/dbraw/zinc/17/76/80/508177680.db2.gz	MOTMYNMGSQFIGA-MRXNPFEDSA-N	0	0	363.527	2.709	10	30		FFEERN
COc1ccc(CN[C@H]2CCCn3nc(C)nc32)cc1OCCCC#N	ZINC000083475683	508246196	/nfs/dbraw/zinc/24/61/96/508246196.db2.gz	SIVSKQIXQVAVKB-INIZCTEOSA-N	0	0	355.442	2.902	10	30		FFEERN
Cc1nc2n(n1)CCC[C@H]2NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000083476110	508246459	/nfs/dbraw/zinc/24/64/59/508246459.db2.gz	BRWOMWALAXKYKP-GOSISDBHSA-N	0	0	361.453	2.988	10	30		FFEERN
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2[C@H](C)COC[C@@H]2C)c1C#N	ZINC000077366585	508306392	/nfs/dbraw/zinc/30/63/92/508306392.db2.gz	JEDOZPXVLWMOQY-OKILXGFUSA-N	0	0	370.453	2.666	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C(C)C)cc1	ZINC000103326788	508308391	/nfs/dbraw/zinc/30/83/91/508308391.db2.gz	SMIIFZQYUYEYSI-MSOLQXFVSA-N	0	0	371.481	2.872	10	30		FFEERN
C=CCOc1ccc(C(=O)N[C@H]2CCCn3nc(CC)nc32)cc1OC	ZINC000088199968	508356806	/nfs/dbraw/zinc/35/68/06/508356806.db2.gz	UTKLYZXXBMUCOQ-AWEZNQCLSA-N	0	0	356.426	2.679	10	30		FFEERN
N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H](O)Cc2ccccc2)c1	ZINC000105036543	508358044	/nfs/dbraw/zinc/35/80/44/508358044.db2.gz	BJURNPYYMGGLTM-AWEZNQCLSA-N	0	0	361.348	2.885	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(C(=O)NCc3ccc(C#N)cc3F)C2)no1	ZINC000105721688	508382497	/nfs/dbraw/zinc/38/24/97/508382497.db2.gz	HETLVVSTKGCQGN-AWEZNQCLSA-N	0	0	357.389	2.553	10	30		FFEERN
Cn1cc([C@H]2CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)cn1	ZINC000116408232	508508680	/nfs/dbraw/zinc/50/86/80/508508680.db2.gz	AJMPGGVDWSANMM-HNNXBMFYSA-N	0	0	371.872	2.810	10	30		FFEERN
Cn1ccnc1CC1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1	ZINC000128405248	508587786	/nfs/dbraw/zinc/58/77/86/508587786.db2.gz	FJLCMDBFEIQWKL-UHFFFAOYSA-N	0	0	355.417	2.595	10	30		FFEERN
Cn1nccc1C1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000157804043	508613905	/nfs/dbraw/zinc/61/39/05/508613905.db2.gz	AUWDNQYRVAGLLM-UHFFFAOYSA-N	0	0	364.858	2.513	10	30		FFEERN
Cc1ccc([C@@H]2CN(CC(=O)N(CCC#N)c3ccccc3)CCO2)o1	ZINC000158752462	508748303	/nfs/dbraw/zinc/74/83/03/508748303.db2.gz	FZQYZGVFWITDCO-IBGZPJMESA-N	0	0	353.422	2.908	10	30		FFEERN
COc1ccc([C@@H]2C[C@@H](C)N(S(=O)(=O)c3ccc(C#N)nc3)C2)cc1	ZINC000159140309	508798572	/nfs/dbraw/zinc/79/85/72/508798572.db2.gz	MZTABBACUKJONL-UKRRQHHQSA-N	0	0	357.435	2.529	10	30		FFEERN
C=CCc1ccc(OCC(=O)N2CCC(c3ccnn3C)CC2)c(OC)c1	ZINC000124755006	508880138	/nfs/dbraw/zinc/88/01/38/508880138.db2.gz	SWLFQCFEZCFFLR-UHFFFAOYSA-N	0	0	369.465	2.942	10	30		FFEERN
Cc1cnn(C[C@H]2CN(C(=O)N[C@H](CCC#N)c3ccccc3)CCO2)c1	ZINC000151438333	509016772	/nfs/dbraw/zinc/01/67/72/509016772.db2.gz	UXWBLNFOGKZUCA-RTBURBONSA-N	0	0	367.453	2.647	10	30		FFEERN
CCOc1cc(Br)c(CC(=O)N[C@H](C)C#N)cc1OCC	ZINC000125695518	509017853	/nfs/dbraw/zinc/01/78/53/509017853.db2.gz	SCIVZHDXWVTLFV-SNVBAGLBSA-N	0	0	355.232	2.817	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1	ZINC000132568916	509046787	/nfs/dbraw/zinc/04/67/87/509046787.db2.gz	ODLIEXXNOGVUSS-MOTZXUDYSA-N	0	0	352.394	2.616	10	30		FFEERN
N#Cc1cccc(NC(=O)CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1	ZINC000120982070	509101753	/nfs/dbraw/zinc/10/17/53/509101753.db2.gz	XTKYFZDRAKXPEJ-MAUKXSAKSA-N	0	0	357.360	2.583	10	30		FFEERN
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCCn2nc(C)nc21	ZINC000175878141	509194925	/nfs/dbraw/zinc/19/49/25/509194925.db2.gz	FRVSKSJYTDPWDG-QGZVFWFLSA-N	0	0	355.442	2.828	10	30		FFEERN
Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(C#N)c1	ZINC000185592609	509253178	/nfs/dbraw/zinc/25/31/78/509253178.db2.gz	SSVJKMGMFLQHOR-QGZVFWFLSA-N	0	0	352.369	2.711	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCOc1ccc(C#N)cc1	ZINC000175979226	509253897	/nfs/dbraw/zinc/25/38/97/509253897.db2.gz	LJVUEGDQHDWQTE-SFHVURJKSA-N	0	0	367.453	2.834	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)CC1	ZINC000192159466	509380933	/nfs/dbraw/zinc/38/09/33/509380933.db2.gz	AXCALSVMPXENPN-GOSISDBHSA-N	0	0	371.481	2.826	10	30		FFEERN
N#Cc1ccc(N2CCN(C(=O)Nc3c[nH]nc3-c3ccccc3)CC2)nc1	ZINC000179498446	509480194	/nfs/dbraw/zinc/48/01/94/509480194.db2.gz	ALKNDOLPJVMYHU-UHFFFAOYSA-N	0	0	373.420	2.697	10	30		FFEERN
N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1	ZINC000179677582	509569359	/nfs/dbraw/zinc/56/93/59/509569359.db2.gz	TUFJPPFWGNIIPL-GOSISDBHSA-N	0	0	372.432	2.631	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCCn2nc(CC)nc21	ZINC000176561472	509584362	/nfs/dbraw/zinc/58/43/62/509584362.db2.gz	UNTBYIGNDQUEHB-ZDUSSCGKSA-N	0	0	354.414	2.767	10	30		FFEERN
C[C@H]1CN([C@@H](CNC(=O)Cc2ccc(C#N)cc2)c2cccs2)CCO1	ZINC000176601820	509606010	/nfs/dbraw/zinc/60/60/10/509606010.db2.gz	SJXKDUUUOOWXNX-YJBOKZPZSA-N	0	0	369.490	2.740	10	30		FFEERN
N#CCSc1cccc(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)c1	ZINC000183126956	509615296	/nfs/dbraw/zinc/61/52/96/509615296.db2.gz	JZZINUJVKOAWGM-QGZVFWFLSA-N	0	0	366.446	2.623	10	30		FFEERN
CC(C)CCN(CCC#N)C(=O)C1CCN(C(=O)c2ccccn2)CC1	ZINC000173527162	509641155	/nfs/dbraw/zinc/64/11/55/509641155.db2.gz	YYCRXBWVRJFZEV-UHFFFAOYSA-N	0	0	356.470	2.722	10	30		FFEERN
N#Cc1ccccc1S(=O)(=O)N1C[C@@H](n2ccnc2)Cc2ccccc21	ZINC000173690173	509723136	/nfs/dbraw/zinc/72/31/36/509723136.db2.gz	WSSKAGIENKGJMZ-KRWDZBQOSA-N	0	0	364.430	2.747	10	30		FFEERN
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1	ZINC000173766154	509764469	/nfs/dbraw/zinc/76/44/69/509764469.db2.gz	HKCWIGTURSXUOZ-PMACEKPBSA-N	0	0	362.429	2.721	10	30		FFEERN
CC(C)c1nc([C@@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)no1	ZINC000249884961	509778830	/nfs/dbraw/zinc/77/88/30/509778830.db2.gz	OSYAQDMOOYUDJN-WBVHZDCISA-N	0	0	356.426	2.641	10	30		FFEERN
CCc1ccc(C=NNS(=O)(=O)c2cc(OC)ccc2OC)s1	ZINC000254846393	509910408	/nfs/dbraw/zinc/91/04/08/509910408.db2.gz	XRALTXUGCJHFDX-UHFFFAOYSA-N	0	0	354.453	2.640	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3Cl)C2)c1	ZINC000183659984	509911648	/nfs/dbraw/zinc/91/16/48/509911648.db2.gz	UNRUCOAPQJDHMZ-CQSZACIVSA-N	0	0	364.858	2.742	10	30		FFEERN
N#Cc1nn(-c2cccc(Cl)c2)nc1N(CCO)Cc1ccccc1	ZINC000256048179	509942660	/nfs/dbraw/zinc/94/26/60/509942660.db2.gz	RFNRSYKEXVOEFH-UHFFFAOYSA-N	0	0	353.813	2.791	10	30		FFEERN
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H]1c1cnn(C)c1	ZINC000245446499	509942981	/nfs/dbraw/zinc/94/29/81/509942981.db2.gz	LDWHTUNHTRQHTH-WXNRQPJFSA-N	0	0	357.502	2.876	10	30		FFEERN
Cc1nnc([C@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)CCO2)[nH]1	ZINC000177350075	510006958	/nfs/dbraw/zinc/00/69/58/510006958.db2.gz	VOYSQLQFVNPNHG-OAHLLOKOSA-N	0	0	350.344	2.557	10	30		FFEERN
C[C@@H](O)CN1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1C	ZINC000174328438	510061882	/nfs/dbraw/zinc/06/18/82/510061882.db2.gz	OQWXDHGKNXQVDG-IAGOWNOFSA-N	0	0	363.461	2.752	10	30		FFEERN
CCc1csc([C@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3)C2)n1	ZINC000177515089	510108867	/nfs/dbraw/zinc/10/88/67/510108867.db2.gz	SHDJCZQRNFWNDN-AWEZNQCLSA-N	0	0	368.462	2.922	10	30		FFEERN
N#C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1	ZINC000265549707	510110597	/nfs/dbraw/zinc/11/05/97/510110597.db2.gz	YKTANPUCRLDUJG-OAHLLOKOSA-N	0	0	357.801	2.858	10	30		FFEERN
CCCC(=O)N[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OCC)C1	ZINC000171368941	510111050	/nfs/dbraw/zinc/11/10/50/510111050.db2.gz	HJRRSSFHTWIAKC-HNNXBMFYSA-N	0	0	358.442	2.870	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1	ZINC000171408629	510142424	/nfs/dbraw/zinc/14/24/24/510142424.db2.gz	JOSHPXDCTLQQGB-ZDUSSCGKSA-N	0	0	373.844	2.796	10	30		FFEERN
Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCN(C)c3ccccc32)c1C#N	ZINC000174764166	510298085	/nfs/dbraw/zinc/29/80/85/510298085.db2.gz	QGEKFLLHZWPANK-HNNXBMFYSA-N	0	0	362.433	2.545	10	30		FFEERN
N#Cc1cccc(OCCCCC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1	ZINC000178308632	510537367	/nfs/dbraw/zinc/53/73/67/510537367.db2.gz	IIHDQIRUMJEAOR-PZJWPPBQSA-N	0	0	350.418	2.882	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000188053958	510568715	/nfs/dbraw/zinc/56/87/15/510568715.db2.gz	URQCXSJJMOQHGE-AWEZNQCLSA-N	0	0	353.426	2.550	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)COCc1ccccc1	ZINC000178500460	510632518	/nfs/dbraw/zinc/63/25/18/510632518.db2.gz	VPNOVAIELXJNGZ-CQSZACIVSA-N	0	0	351.406	2.527	10	30		FFEERN
Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3C)C2)n1	ZINC000178501021	510632991	/nfs/dbraw/zinc/63/29/91/510632991.db2.gz	LVLSUBOWXDJQNN-HNNXBMFYSA-N	0	0	368.462	2.976	10	30		FFEERN
CCn1cc([C@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CCO2)cn1	ZINC000191764901	510821177	/nfs/dbraw/zinc/82/11/77/510821177.db2.gz	SHYBKCVKYUIHNV-GOSISDBHSA-N	0	0	368.437	2.532	10	30		FFEERN
CC(C)n1ncc2c1C[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)CC2	ZINC000329945588	510883981	/nfs/dbraw/zinc/88/39/81/510883981.db2.gz	JDWCYNNLPSYJLP-XYJFISCASA-N	0	0	357.458	2.789	10	30		FFEERN
Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1)C2	ZINC000329969641	510889924	/nfs/dbraw/zinc/88/99/24/510889924.db2.gz	XMVQELXMFQWUFQ-BQFCYCMXSA-N	0	0	370.428	2.970	10	30		FFEERN
CC[C@@H]1CN(CC(=O)Nc2nc3c(s2)CCCC3)C[C@@]2(CCOC2)O1	ZINC000330070451	510910402	/nfs/dbraw/zinc/91/04/02/510910402.db2.gz	IDQMYNRRQHVFCL-FZKQIMNGSA-N	0	0	365.499	2.880	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)NC2CCN(CC(F)(F)F)CC2)cn1	ZINC000330128160	510921543	/nfs/dbraw/zinc/92/15/43/510921543.db2.gz	JHONNIALIFXPEE-LSDHHAIUSA-N	0	0	374.407	2.964	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cc1	ZINC000330166195	510928677	/nfs/dbraw/zinc/92/86/77/510928677.db2.gz	XSUSGWWSXPMHML-AYBZRNKSSA-N	0	0	368.437	2.948	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(C(=O)NC[C@@H]3CCO[C@@H]3C(C)C)C2)no1	ZINC000330219812	510940439	/nfs/dbraw/zinc/94/04/39/510940439.db2.gz	PTQDHANZKHLUMO-YQQAZPJKSA-N	0	0	350.463	2.608	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F	ZINC000330269124	510952593	/nfs/dbraw/zinc/95/25/93/510952593.db2.gz	RRTFPADTTQFVAX-YIKOMLBNSA-N	0	0	358.360	2.905	10	30		FFEERN
N#C[C@@H]1CN(C(=O)C2CN(C(=O)C3CCCCC3)C2)C[C@H]1c1ccccc1	ZINC000333584986	511292775	/nfs/dbraw/zinc/29/27/75/511292775.db2.gz	AXHGUJDNBLZQFD-QUCCMNQESA-N	0	0	365.477	2.791	10	30		FFEERN
CO[C@@H]1CCc2c(C#N)c(NC(=O)c3nn(C)c4c3CCCC4)sc2C1	ZINC000333875664	511378719	/nfs/dbraw/zinc/37/87/19/511378719.db2.gz	QIAYWXUVBHGQCT-LLVKDONJSA-N	0	0	370.478	2.988	10	30		FFEERN
CCOc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(C#N)n2)CC1	ZINC000302748222	511713938	/nfs/dbraw/zinc/71/39/38/511713938.db2.gz	UHOAPECGYFXZBU-UHFFFAOYSA-N	0	0	353.382	2.587	10	30		FFEERN
Cc1nc(CN(C)[C@@H]2CCCN(C(=O)Nc3cncc(C)c3)CC2)no1	ZINC000328648429	511907189	/nfs/dbraw/zinc/90/71/89/511907189.db2.gz	UNHDMNNRZRXUSI-MRXNPFEDSA-N	0	0	358.446	2.613	10	30		FFEERN
CC[C@@H]1CCCCN1C(=O)CN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000328666367	511912569	/nfs/dbraw/zinc/91/25/69/511912569.db2.gz	CUOSHWANSCCAHL-WHSLLNHNSA-N	0	0	366.465	2.772	10	30		FFEERN
CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC(=O)NC12CCC2	ZINC000328711587	511918194	/nfs/dbraw/zinc/91/81/94/511918194.db2.gz	BFUIPESRNIIRGW-YNEHKIRRSA-N	0	0	353.488	2.932	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)[C@@H](C)Sc1nnnn1C1CC1)CCC2	ZINC000328783975	511931370	/nfs/dbraw/zinc/93/13/70/511931370.db2.gz	JZTGJBJRWDMBIF-NEPJUHHUSA-N	0	0	361.475	2.528	10	30		FFEERN
COc1cccc(N2CC[C@H](CNC(=O)N[C@@H]3CCO[C@@H]3C3CC3)C2)c1	ZINC000328846350	511939577	/nfs/dbraw/zinc/93/95/77/511939577.db2.gz	SAISKUHCWAGZKO-NIKGAXFTSA-N	0	0	359.470	2.593	10	30		FFEERN
CN1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000328848241	511939677	/nfs/dbraw/zinc/93/96/77/511939677.db2.gz	QZXMPGVXLQOEBE-OAUYIBNBSA-N	0	0	369.868	2.843	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)C[C@@H]21	ZINC000328871324	511944012	/nfs/dbraw/zinc/94/40/12/511944012.db2.gz	IIASVYZYUYECRU-SOLBZPMBSA-N	0	0	359.470	2.608	10	30		FFEERN
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1	ZINC000329030930	511971102	/nfs/dbraw/zinc/97/11/02/511971102.db2.gz	PPJLQCHRROJZBR-MWTHLPDKSA-N	0	0	353.488	2.534	10	30		FFEERN
C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)[C@H](C)C1	ZINC000329064624	511976273	/nfs/dbraw/zinc/97/62/73/511976273.db2.gz	OSBDLXXOGJNTPC-VAKMMLMKSA-N	0	0	373.501	2.553	10	30		FFEERN
CNC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCC(F)(F)C2)C[C@@H]1c1cnn(C)c1	ZINC000329098845	511982762	/nfs/dbraw/zinc/98/27/62/511982762.db2.gz	YYEQCJLQHWGWHA-MCIONIFRSA-N	0	0	369.416	2.514	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC([O-])=[NH+][C@@H]1CCCC[C@H]1n1cccn1	ZINC000329118120	511986218	/nfs/dbraw/zinc/98/62/18/511986218.db2.gz	JIGCXLWOEXECHL-TWMKSMIVSA-N	0	0	372.473	2.617	10	30		FFEERN
Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O	ZINC000329120174	511987623	/nfs/dbraw/zinc/98/76/23/511987623.db2.gz	KBQSHWQFCXAKSB-IXDOHACOSA-N	0	0	368.437	2.650	10	30		FFEERN
CC(C)n1ncc2c1C[C@H](NC([O-])=[NH+][C@H]1CCO[C@@H]1c1cccnc1)CC2	ZINC000329157123	511995159	/nfs/dbraw/zinc/99/51/59/511995159.db2.gz	CHBINAQYZSTSNO-ZIFCJYIRSA-N	0	0	369.469	2.750	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN(CC(F)(F)F)C1	ZINC000329200440	512003878	/nfs/dbraw/zinc/00/38/78/512003878.db2.gz	VHLPWYYBERBFMZ-KCQAQPDRSA-N	0	0	374.407	2.729	10	30		FFEERN
Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3CCCc4sccc43)C2)c1=O	ZINC000329210412	512004630	/nfs/dbraw/zinc/00/46/30/512004630.db2.gz	YUWLPQCYFIXDFY-DZGCQCFKSA-N	0	0	372.494	2.887	10	30		FFEERN
CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)C1(C)C	ZINC000329251476	512013802	/nfs/dbraw/zinc/01/38/02/512013802.db2.gz	BKJGYGOIBDQHGL-DZQJYWQESA-N	0	0	352.500	2.729	10	30		FFEERN
C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1	ZINC000329414016	512041675	/nfs/dbraw/zinc/04/16/75/512041675.db2.gz	CSJXSAHPYJHUEV-NSHGMRRFSA-N	0	0	369.469	2.576	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3COc4ccccc4C3)C2)nn1	ZINC000329584329	512072442	/nfs/dbraw/zinc/07/24/42/512072442.db2.gz	LXQXGVNJZUPJMZ-IRXDYDNUSA-N	0	0	352.438	2.962	10	30		FFEERN
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCc1c2c(nn1C)CCCC2	ZINC000329728149	512091140	/nfs/dbraw/zinc/09/11/40/512091140.db2.gz	HDFAWKBQEAGPJL-RDTXWAMCSA-N	0	0	357.458	2.657	10	30		FFEERN
CC(C)(C)C(=O)NC1CCC(c2nc([C@H]3CN4CCN3CC4)no2)CC1	ZINC000329751277	512093142	/nfs/dbraw/zinc/09/31/42/512093142.db2.gz	ITBBNCYIBSHXKQ-YMAMQOFZSA-N	0	0	361.490	2.771	10	30		FFEERN
CC(C)[C@@H]1C[C@@H](CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)c2ccccc21	ZINC000329836727	512102834	/nfs/dbraw/zinc/10/28/34/512102834.db2.gz	VFBAPCBSXCCHQZ-VKJFTORMSA-N	0	0	364.511	2.946	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1Br	ZINC000408398534	513058599	/nfs/dbraw/zinc/05/85/99/513058599.db2.gz	YVRWTSZTODALFZ-VXGBXAGGSA-N	0	0	355.257	2.741	10	30		FFEERN
CCOC(=O)c1cc(OC(F)F)c(C#N)cc1I	ZINC000575386323	518208670	/nfs/dbraw/zinc/20/86/70/518208670.db2.gz	OGYXNGXKJRXWTM-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
O=C(COc1cccnc1)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000328622836	527587394	/nfs/dbraw/zinc/58/73/94/527587394.db2.gz	ISEMPPMASMDFBE-NSHDSACASA-N	0	0	354.332	2.895	10	30		FFEERN
C#CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl	ZINC000072576896	728211635	/nfs/dbraw/zinc/21/16/35/728211635.db2.gz	XBKBDUFWRLFHLU-GOSISDBHSA-N	0	0	352.821	2.657	10	30		FFEERN
C=CCn1c(C2CC2)nn(CN2CCC[C@H](NC(=O)CCC)C2)c1=S	ZINC000101538948	728485870	/nfs/dbraw/zinc/48/58/70/728485870.db2.gz	SAHHXBFPAUAHEU-HNNXBMFYSA-N	0	0	363.531	2.816	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N(CCC#N)CC(F)(F)F)C1	ZINC000177626667	729140973	/nfs/dbraw/zinc/14/09/73/729140973.db2.gz	STBIOYYLRBPBST-VXGBXAGGSA-N	0	0	363.380	2.984	10	30		FFEERN
C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN1S(=O)(=O)CCC	ZINC000194223088	729503964	/nfs/dbraw/zinc/50/39/64/729503964.db2.gz	HMASFEPEZINZPD-KRWDZBQOSA-N	0	0	368.474	2.545	10	30		FFEERN
CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1	ZINC000329014565	729796279	/nfs/dbraw/zinc/79/62/79/729796279.db2.gz	FVDUBGSLBCOILO-QCNOEVLYSA-N	0	0	361.368	2.602	10	30		FFEERN
Cc1nc([C@@H](C)NC(=O)Nc2nc(CN3CCOCC3)cs2)cs1	ZINC000329320944	729797093	/nfs/dbraw/zinc/79/70/93/729797093.db2.gz	RKKVTMWBVWXVPW-SNVBAGLBSA-N	0	0	367.500	2.827	10	30		FFEERN
CC(=O)N[C@H]1CCCN(S(=O)(=O)CCC2Cc3ccccc3C2)C1	ZINC000330236842	729800611	/nfs/dbraw/zinc/80/06/11/729800611.db2.gz	HKBJZOHDOJDBST-SFHVURJKSA-N	0	0	350.484	2.562	10	30		FFEERN
CO[C@@H]1C[C@@H](COc2cccnc2)N(c2ncc(Cl)c(C)c2C#N)C1	ZINC000886034154	733741876	/nfs/dbraw/zinc/74/18/76/733741876.db2.gz	YQINXYXRZHWOLW-DZGCQCFKSA-N	0	0	358.829	2.983	10	30		FFEERN
Cn1cc([C@@H]2OCC[C@H]2CNc2cc(C(F)(F)F)cnc2C#N)cn1	ZINC000840368898	747076123	/nfs/dbraw/zinc/07/61/23/747076123.db2.gz	TUOCDOYIXGUHEK-ZUZCIYMTSA-N	0	0	351.332	2.895	10	30		FFEERN
C[C@H](NC(=O)N1CCOC[C@H]1c1ncnn1C)C12CC3CC(CC(C3)C1)C2	ZINC000328879416	964985889	/nfs/dbraw/zinc/98/58/89/964985889.db2.gz	LJNIRUOLPHYPAB-OYDALLEOSA-N	0	0	373.501	2.707	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cn1	ZINC000588468363	965509462	/nfs/dbraw/zinc/50/94/62/965509462.db2.gz	XRRMKCPPWRLKOZ-YVMONPNESA-N	0	0	360.333	2.699	10	30		FFEERN
C=CC[C@@H](CO)NC(=O)/C(=C\c1ccc(O)c(OC)c1)c1ccccc1	ZINC000588507883	966331958	/nfs/dbraw/zinc/33/19/58/966331958.db2.gz	JDQBOYCUDFMJJS-KMTKGMGQSA-N	0	0	353.418	2.995	10	30		FFEERN
Cn1ccnc1CN1CCC(C(=O)N[C@H]2CCN(c3ccccc3)C2)CC1	ZINC000329173244	967536429	/nfs/dbraw/zinc/53/64/29/967536429.db2.gz	LKWTZEUYGIAERK-SFHVURJKSA-N	0	0	367.497	2.868	10	30		FFEERN
CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000329422103	967690158	/nfs/dbraw/zinc/69/01/58/967690158.db2.gz	DXIDQRWXOKAINY-XJKSGUPXSA-N	0	0	361.490	2.706	10	30		FFEERN
Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(C(C)(C)C)nn3C)C2)nn1	ZINC000329641662	967905102	/nfs/dbraw/zinc/90/51/02/967905102.db2.gz	ZUWXDRNVYRFPBO-CQSZACIVSA-N	0	0	356.474	2.790	10	30		FFEERN
CN(C)C(=O)Nc1cccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1	ZINC000329684310	967940884	/nfs/dbraw/zinc/94/08/84/967940884.db2.gz	UEXXZLBLMBOGJZ-BEFAXECRSA-N	0	0	371.441	2.770	10	30		FFEERN
CC(C)(C)c1cc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)n(-c2ncccn2)n1	ZINC000330029971	970078885	/nfs/dbraw/zinc/07/88/85/970078885.db2.gz	QWTOADFFZSOYCN-CHWSQXEVSA-N	0	0	353.430	2.978	10	30		FFEERN
C#CCOc1ccccc1[C@H](C)OC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000107059478	976548103	/nfs/dbraw/zinc/54/81/03/976548103.db2.gz	BPNDFJZMEQODBF-QWHCGFSZSA-N	0	0	369.339	2.714	10	30		FFEERN
C#CCN(C(=O)c1cn(CC(C)C)c2ccccc12)[C@H]1CCS(=O)(=O)C1	ZINC000104311093	1004530898	/nfs/dbraw/zinc/53/08/98/1004530898.db2.gz	BGTADYNTUAHQGA-INIZCTEOSA-N	0	0	372.490	2.560	10	30		FFEERN
C#CCN(C(=O)CC1CCC(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000108261064	1005630223	/nfs/dbraw/zinc/63/02/23/1005630223.db2.gz	JBWHERLVSWRCKG-LYBXBRPPSA-N	0	0	373.518	2.999	10	30		FFEERN
Cc1ncc(CO)c(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1O	ZINC000005164012	204196290	/nfs/dbraw/zinc/19/62/90/204196290.db2.gz	ILEGTLHBMBHDOR-CGOBSMCZSA-N	0	0	370.287	2.961	10	30		FFEERN
C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH2+]Cc1cccc3[nH]ccc31)C2	ZINC000067886486	205028726	/nfs/dbraw/zinc/02/87/26/205028726.db2.gz	YUYJTNQYDFGMLU-CQSZACIVSA-N	0	0	350.422	2.896	10	30		FFEERN
CC(=O)/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C	ZINC000072319955	205030958	/nfs/dbraw/zinc/03/09/58/205030958.db2.gz	BNOWPELKBYSHKU-MOGMAIBLSA-N	0	0	352.471	2.638	10	30	biogenic	FFEERN
CCN(CC)S(=O)(=O)c1ccc(N=C2NC(=N)c3ccccc32)cc1	ZINC000040802575	205081280	/nfs/dbraw/zinc/08/12/80/205081280.db2.gz	XQNIKVJPTRJRMN-UHFFFAOYSA-N	0	0	356.451	2.514	10	30		FFEERN
Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(N)=S)CCC2	ZINC000040824631	205081461	/nfs/dbraw/zinc/08/14/61/205081461.db2.gz	BTFIBTGYRDXKFI-KGENOOAVSA-N	0	0	370.478	2.734	10	30		FFEERN
N#CCN(CC#N)c1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-]	ZINC000040617901	205074869	/nfs/dbraw/zinc/07/48/69/205074869.db2.gz	PJFDNHXZMAGSIQ-UHFFFAOYSA-N	0	0	367.413	2.619	10	30		FFEERN
CC(C)N(Cc1nnc2n1c1ccccc1c(=O)n2C)c1cccc(C#N)c1	ZINC000058194847	205258975	/nfs/dbraw/zinc/25/89/75/205258975.db2.gz	AGWYTXUGQHCIPA-UHFFFAOYSA-N	0	0	372.432	2.868	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1	ZINC000031607709	249362627	/nfs/dbraw/zinc/36/26/27/249362627.db2.gz	CGQMINJPMPNDGH-MDZDMXLPSA-N	0	0	359.429	2.992	10	30		FFEERN
COc1ccccc1[C@@H](C)CC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000103065703	250132959	/nfs/dbraw/zinc/13/29/59/250132959.db2.gz	KIGVHVPQBRIOFV-INIZCTEOSA-N	0	0	364.449	2.804	10	30		FFEERN
CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104487962	250177575	/nfs/dbraw/zinc/17/75/75/250177575.db2.gz	OWAPSWIWYXYTKS-LJQANCHMSA-N	0	0	369.465	2.575	10	30		FFEERN
COc1cccc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n1	ZINC000105211301	250202998	/nfs/dbraw/zinc/20/29/98/250202998.db2.gz	NDPYJPDILCWREJ-UHFFFAOYSA-N	0	0	366.421	2.715	10	30		FFEERN
Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c1C#N	ZINC000127262906	250725135	/nfs/dbraw/zinc/72/51/35/250725135.db2.gz	YHCPYBYPLSHAHT-HNNXBMFYSA-N	0	0	367.409	2.675	10	30		FFEERN
CCc1nccn1[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000252352957	251309814	/nfs/dbraw/zinc/30/98/14/251309814.db2.gz	OHUKFJJORVISQE-WBVHZDCISA-N	0	0	351.454	2.981	10	30		FFEERN
N#Cc1cc(N2CCC[C@H](Cn3cncn3)C2)nc2ccc([N+](=O)[O-])cc12	ZINC000301396886	258047498	/nfs/dbraw/zinc/04/74/98/258047498.db2.gz	NGOJNSLUNZZIDE-ZDUSSCGKSA-N	0	0	363.381	2.523	10	30		FFEERN
Cc1cc(C)c2ncc(C#N)c(N3C[C@@H](C)[C@@H](N4CCOCC4)C3)c2c1	ZINC000301535097	258054257	/nfs/dbraw/zinc/05/42/57/258054257.db2.gz	AGMDYODLVQOPDE-APWZRJJASA-N	0	0	350.466	2.880	10	30		FFEERN
N#Cc1c(Br)c([N+](=O)[O-])ccc1I	ZINC000575691834	518249516	/nfs/dbraw/zinc/24/95/16/518249516.db2.gz	IVAGYIWDQJHHGD-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)N1CCOCC1	ZINC000066955214	506710632	/nfs/dbraw/zinc/71/06/32/506710632.db2.gz	PILRAFBMRFMPHL-GJZGRUSLSA-N	0	0	362.499	2.923	10	30		FFEERN
N#Cc1ccc(NC(=O)CNC(=O)c2ccccc2Br)cc1	ZINC000015576792	507049459	/nfs/dbraw/zinc/04/94/59/507049459.db2.gz	JJFXADLTQOHECW-UHFFFAOYSA-N	0	0	358.195	2.689	10	30		FFEERN
C=CCn1c(Cc2ccccc2)nnc1SCc1nnnn1C(C)C	ZINC000107078846	507834235	/nfs/dbraw/zinc/83/42/35/507834235.db2.gz	VCEBLDQYQAZQFR-UHFFFAOYSA-N	0	0	355.471	2.915	10	30		FFEERN
C=CCN1C(=O)c2ccc(-c3nc(-c4ccc(OC)nc4)no3)cc2C1=O	ZINC000109587390	507970317	/nfs/dbraw/zinc/97/03/17/507970317.db2.gz	AYEXDTXOCGSSEZ-UHFFFAOYSA-N	0	0	362.345	2.589	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCCN(c3ccc(C)nn3)CC2)cc1	ZINC000109634203	507973527	/nfs/dbraw/zinc/97/35/27/507973527.db2.gz	HNIWVKNXHLMGER-UHFFFAOYSA-N	0	0	352.438	2.702	10	30		FFEERN
CCn1cnnc1[C@@H]1CCCN(C(=O)CSc2ccc(C#N)cc2)C1	ZINC000110752243	508045763	/nfs/dbraw/zinc/04/57/63/508045763.db2.gz	XCSQEDYPIOSWJC-OAHLLOKOSA-N	0	0	355.467	2.668	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCN(Cc2cnc(C)s2)CC1	ZINC000110944084	508058424	/nfs/dbraw/zinc/05/84/24/508058424.db2.gz	NSGFEEWFJXAMAV-UHFFFAOYSA-N	0	0	357.479	2.974	10	30		FFEERN
N#Cc1ccccc1OC1CCC(NS(=O)(=O)N2CCCCC2)CC1	ZINC000111366654	508094429	/nfs/dbraw/zinc/09/44/29/508094429.db2.gz	MZORRPGZWMFYRW-UHFFFAOYSA-N	0	0	363.483	2.569	10	30		FFEERN
COc1ccc(-c2nc([C@@H]3CN(c4ncccc4C#N)CCO3)no2)cc1	ZINC000095999713	508201278	/nfs/dbraw/zinc/20/12/78/508201278.db2.gz	IUEWYNMNODBICH-INIZCTEOSA-N	0	0	363.377	2.590	10	30		FFEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000083559635	508248227	/nfs/dbraw/zinc/24/82/27/508248227.db2.gz	DCMLIJWESNPUOI-AWEZNQCLSA-N	0	0	354.414	2.902	10	30		FFEERN
C[C@H](C#N)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F	ZINC000101860489	508259177	/nfs/dbraw/zinc/25/91/77/508259177.db2.gz	XHSIVJNZAOUBNZ-YIFBXAAPSA-N	0	0	361.392	2.766	10	30		FFEERN
COc1c(C)cc(CN(C)C(=O)C(=O)Nc2cccc(C#N)c2)cc1C	ZINC000102104905	508267559	/nfs/dbraw/zinc/26/75/59/508267559.db2.gz	ANPMLCWADLRTAE-UHFFFAOYSA-N	0	0	351.406	2.781	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)c1C	ZINC000106077616	508391427	/nfs/dbraw/zinc/39/14/27/508391427.db2.gz	VGPOLJIRTMNMRV-GOSISDBHSA-N	0	0	367.497	2.864	10	30		FFEERN
C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](Cn2cncn2)C1	ZINC000106175186	508396785	/nfs/dbraw/zinc/39/67/85/508396785.db2.gz	HBRFLZOWGKUMJY-MRXNPFEDSA-N	0	0	371.510	2.907	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](n2cncn2)C1	ZINC000106218382	508398304	/nfs/dbraw/zinc/39/83/04/508398304.db2.gz	IYQMAGDECANYCM-CVEARBPZSA-N	0	0	359.499	2.580	10	30		FFEERN
CC(C)c1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(F)cc2C#N)no1	ZINC000127277636	508425416	/nfs/dbraw/zinc/42/54/16/508425416.db2.gz	YAKCARMWSFYGIH-AWEZNQCLSA-N	0	0	371.372	2.506	10	30		FFEERN
CC(C)c1nc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(F)cc2C#N)no1	ZINC000127277849	508425468	/nfs/dbraw/zinc/42/54/68/508425468.db2.gz	YAKCARMWSFYGIH-CQSZACIVSA-N	0	0	371.372	2.506	10	30		FFEERN
C=CCc1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc(OC)c1OC	ZINC000127492052	508458439	/nfs/dbraw/zinc/45/84/39/508458439.db2.gz	CFNSQPBDWZYCSG-HNNXBMFYSA-N	0	0	370.453	2.576	10	30		FFEERN
C=CCCCCCN(C)C(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000156857451	508487835	/nfs/dbraw/zinc/48/78/35/508487835.db2.gz	PMRSYSUZSRQBMI-CYBMUJFWSA-N	0	0	373.409	2.784	10	30		FFEERN
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000116319868	508499439	/nfs/dbraw/zinc/49/94/39/508499439.db2.gz	YKEZKXIAPIJEDH-OCCSQVGLSA-N	0	0	357.845	2.762	10	30		FFEERN
Cc1nc(CN2CCCN(C(=O)NCc3ccc(C#N)cc3)CC2)cs1	ZINC000116419662	508510739	/nfs/dbraw/zinc/51/07/39/508510739.db2.gz	HXALPMQQJBIEIZ-UHFFFAOYSA-N	0	0	369.494	2.741	10	30		FFEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](c2nccs2)C1	ZINC000157585726	508584049	/nfs/dbraw/zinc/58/40/49/508584049.db2.gz	WJOJBJHTVUUPSD-NSHDSACASA-N	0	0	351.428	2.722	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1Cl	ZINC000122783159	508585436	/nfs/dbraw/zinc/58/54/36/508585436.db2.gz	CJXNYOFGHVDMAF-CZUORRHYSA-N	0	0	354.859	2.527	10	30		FFEERN
Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000123118313	508639267	/nfs/dbraw/zinc/63/92/67/508639267.db2.gz	FQPQLVOLRKGFCE-HNNXBMFYSA-N	0	0	364.858	2.570	10	30		FFEERN
N#Cc1ccc(OC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)c(F)c1	ZINC000158188763	508669556	/nfs/dbraw/zinc/66/95/56/508669556.db2.gz	JRGUMGULNPNDPY-MRXNPFEDSA-N	0	0	353.353	2.693	10	30		FFEERN
N#CCc1ccc(NC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cc1	ZINC000118796937	508673976	/nfs/dbraw/zinc/67/39/76/508673976.db2.gz	OCXVFKLKIXBUQF-HXUWFJFHSA-N	0	0	364.449	2.636	10	30		FFEERN
C=CCOc1ccc(CN2CCO[C@H](c3nnc(CC)[nH]3)C2)cc1OC	ZINC000129117008	508686125	/nfs/dbraw/zinc/68/61/25/508686125.db2.gz	JPLZJECNEWFSBA-KRWDZBQOSA-N	0	0	358.442	2.514	10	30		FFEERN
C=C[C@H](CC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1)c1ccccc1	ZINC000136574247	508701072	/nfs/dbraw/zinc/70/10/72/508701072.db2.gz	STLJCNASEXZSSR-AEFFLSMTSA-N	0	0	365.481	2.963	10	30		FFEERN
N#Cc1ccccc1NC(=O)CCCC(=O)N1CCO[C@@H]2CCCC[C@H]21	ZINC000151098252	508955764	/nfs/dbraw/zinc/95/57/64/508955764.db2.gz	QMBIYKKQEHRLJB-QZTJIDSGSA-N	0	0	355.438	2.837	10	30		FFEERN
Cc1nc(CN2CCCN(c3ccc(C(F)(F)F)cc3C#N)CC2)no1	ZINC000125639739	509010645	/nfs/dbraw/zinc/01/06/45/509010645.db2.gz	WXDWAJRYPHHHMY-UHFFFAOYSA-N	0	0	365.359	2.981	10	30		FFEERN
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCn2nc(CC)nc21	ZINC000133222205	509134408	/nfs/dbraw/zinc/13/44/08/509134408.db2.gz	MWOCUBOOWVWAPU-MRXNPFEDSA-N	0	0	355.417	2.660	10	30		FFEERN
C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1ccc2c(c1)OCCO2	ZINC000156181358	509139987	/nfs/dbraw/zinc/13/99/87/509139987.db2.gz	FDYJAHXBKXXHEL-NSHDSACASA-N	0	0	362.382	2.508	10	30		FFEERN
Cc1oc(NC(=O)[C@@H](C)N2CCC(c3ccnn3C)CC2)c(C#N)c1C	ZINC000195502006	509195761	/nfs/dbraw/zinc/19/57/61/509195761.db2.gz	KARKQOHVTQQGEZ-CYBMUJFWSA-N	0	0	355.442	2.708	10	30		FFEERN
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCCC[C@@H]1CO	ZINC000175912477	509212911	/nfs/dbraw/zinc/21/29/11/509212911.db2.gz	LBYVTWPPTRELSS-GDBMZVCRSA-N	0	0	354.372	2.907	10	30		FFEERN
Cc1ccc([C@H]2CN(C(=O)NCc3ccc(OCC#N)cc3)CCO2)o1	ZINC000179216810	509324233	/nfs/dbraw/zinc/32/42/33/509324233.db2.gz	DKDIPMKJPMXZDE-GOSISDBHSA-N	0	0	355.394	2.774	10	30		FFEERN
CC[C@@H](C#N)NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl	ZINC000179242073	509335640	/nfs/dbraw/zinc/33/56/40/509335640.db2.gz	AJWRBZCWHJHEQF-SMDDNHRTSA-N	0	0	353.875	2.610	10	30		FFEERN
N#CCCN(C(=O)CN1CCCC[C@@H]1c1nc[nH]n1)c1cccc(Cl)c1	ZINC000182706368	509383654	/nfs/dbraw/zinc/38/36/54/509383654.db2.gz	FMPJDJOVHAKTCO-MRXNPFEDSA-N	0	0	372.860	2.932	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3sccc3C#N)C[C@@H]12	ZINC000248599327	509384311	/nfs/dbraw/zinc/38/43/11/509384311.db2.gz	NJKFZXCELQXPBU-MGPQQGTHSA-N	0	0	361.467	2.995	10	30		FFEERN
C=C(C)[C@@H](NC(=O)N1CCN(CCOC)[C@H](C)C1)c1ccc(F)c(F)c1	ZINC000185849220	509385846	/nfs/dbraw/zinc/38/58/46/509385846.db2.gz	FNHASYHMDHNRSQ-RDTXWAMCSA-N	0	0	367.440	2.944	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000189377413	509545262	/nfs/dbraw/zinc/54/52/62/509545262.db2.gz	VISCEQHMIRGPAX-GXTWGEPZSA-N	0	0	361.789	2.897	10	30		FFEERN
C=CC[C@H](C(=O)N1CCCN(Cc2noc(C)n2)CC1)c1ccccc1	ZINC000189406888	509559409	/nfs/dbraw/zinc/55/94/09/509559409.db2.gz	PHEWVGGCEIDCAR-SFHVURJKSA-N	0	0	354.454	2.772	10	30		FFEERN
N#Cc1ccc(-c2nnc(CN3CC[C@H](CNc4ccccn4)C3)o2)cc1	ZINC000173778961	509771447	/nfs/dbraw/zinc/77/14/47/509771447.db2.gz	MZJRXEHQXMPWLX-MRXNPFEDSA-N	0	0	360.421	2.937	10	30		FFEERN
CC(C)c1nc([C@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)no1	ZINC000249884956	509776878	/nfs/dbraw/zinc/77/68/78/509776878.db2.gz	OSYAQDMOOYUDJN-NVXWUHKLSA-N	0	0	356.426	2.641	10	30		FFEERN
N#CCOc1ccc(CC(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1	ZINC000180165824	509789520	/nfs/dbraw/zinc/78/95/20/509789520.db2.gz	QHEQDEJJGZXMCY-BEFAXECRSA-N	0	0	372.371	2.744	10	30		FFEERN
CCc1ccc(N2C[C@H](C(=O)Nc3nn(C(C)C)cc3C#N)CC2=O)cc1	ZINC000177000334	509811256	/nfs/dbraw/zinc/81/12/56/509811256.db2.gz	OKXVANQDKGSHRV-OAHLLOKOSA-N	0	0	365.437	2.890	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)c(Cl)c1	ZINC000183674295	509920000	/nfs/dbraw/zinc/92/00/00/509920000.db2.gz	IPANKHXJWIAFEM-UHFFFAOYSA-N	0	0	350.831	2.503	10	30		FFEERN
N#Cc1nn(-c2cccc(C(F)(F)F)c2)nc1N1CCCC[C@H]1CCO	ZINC000256046207	509942853	/nfs/dbraw/zinc/94/28/53/509942853.db2.gz	DLWHMWOREVUPEM-ZDUSSCGKSA-N	0	0	365.359	2.899	10	30		FFEERN
C#CCC(C)(C)C(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1	ZINC000184001809	510080419	/nfs/dbraw/zinc/08/04/19/510080419.db2.gz	LYOCEJFQPQAKGI-UHFFFAOYSA-N	0	0	350.466	2.566	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N2CCC[C@H](c3nccs3)C2)cc1	ZINC000177511070	510105456	/nfs/dbraw/zinc/10/54/56/510105456.db2.gz	VIMOFBREHHZUIO-AWEZNQCLSA-N	0	0	354.435	2.554	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nccs3)C2)cc1	ZINC000177511086	510105791	/nfs/dbraw/zinc/10/57/91/510105791.db2.gz	VIMOFBREHHZUIO-CQSZACIVSA-N	0	0	354.435	2.554	10	30		FFEERN
C[C@@H](C(=O)NCCCCC#N)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000171509196	510198133	/nfs/dbraw/zinc/19/81/33/510198133.db2.gz	WZEUHAOWLLUBPK-VIFPVBQESA-N	0	0	368.220	2.788	10	30		FFEERN
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(Nc2cccnn2)CC1	ZINC000184327671	510263923	/nfs/dbraw/zinc/26/39/23/510263923.db2.gz	INJQDAHEUJCHLE-AWEZNQCLSA-N	0	0	366.425	2.876	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000177827915	510275646	/nfs/dbraw/zinc/27/56/46/510275646.db2.gz	DOEXNOYNDMIXRI-QFBILLFUSA-N	0	0	359.470	2.826	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)CC2	ZINC000184350612	510279657	/nfs/dbraw/zinc/27/96/57/510279657.db2.gz	TWHFKIBMSZZTME-UONOGXRCSA-N	0	0	368.441	2.829	10	30		FFEERN
C=CC[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1	ZINC000187464543	510283181	/nfs/dbraw/zinc/28/31/81/510283181.db2.gz	UTLARSFGHYFESD-RDTXWAMCSA-N	0	0	358.463	2.871	10	30		FFEERN
N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1	ZINC000246222669	510374188	/nfs/dbraw/zinc/37/41/88/510374188.db2.gz	VHHCDUQHVRVBDI-QZTJIDSGSA-N	0	0	374.437	2.974	10	30		FFEERN
CN1C(=O)CC[C@H](C(=O)NCc2ccc(C#N)cc2F)[C@H]1c1ccccc1	ZINC000171997127	510491687	/nfs/dbraw/zinc/49/16/87/510491687.db2.gz	DVSGUSQACVDCFZ-FXAWDEMLSA-N	0	0	365.408	2.923	10	30		FFEERN
N#Cc1ccc(NC(=O)CCN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1	ZINC000246479433	510511729	/nfs/dbraw/zinc/51/17/29/510511729.db2.gz	ABFWAIVJQPBGHH-LPHOPBHVSA-N	0	0	371.387	2.973	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCc1cc(C#N)ccc1F	ZINC000188186170	510637673	/nfs/dbraw/zinc/63/76/73/510637673.db2.gz	KSOPFIZIWZXORU-DZGCQCFKSA-N	0	0	365.380	2.661	10	30		FFEERN
C=CCSc1ccccc1NC(=O)CN1CCOC[C@@H]1c1nc(C)no1	ZINC000185083778	510675058	/nfs/dbraw/zinc/67/50/58/510675058.db2.gz	UFEYELRFKIERHG-OAHLLOKOSA-N	0	0	374.466	2.668	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl	ZINC000246847231	510707519	/nfs/dbraw/zinc/70/75/19/510707519.db2.gz	CJXNYOFGHVDMAF-BBRMVZONSA-N	0	0	354.859	2.527	10	30		FFEERN
CCOC(=O)C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccccc1C	ZINC000188607797	510842331	/nfs/dbraw/zinc/84/23/31/510842331.db2.gz	CSQKRJSFPVMGKC-QGZVFWFLSA-N	0	0	352.390	2.997	10	30		FFEERN
N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cc1O	ZINC000188621425	510845569	/nfs/dbraw/zinc/84/55/69/510845569.db2.gz	WXDVEYUWQGTTGA-HNNXBMFYSA-N	0	0	351.410	2.559	10	30		FFEERN
Cn1nccc1N1CCC[C@H](NC(=O)CSC[C@H]2CCCCO2)C1	ZINC000329946398	510883953	/nfs/dbraw/zinc/88/39/53/510883953.db2.gz	JOIRNNJWLXODCZ-LSDHHAIUSA-N	0	0	352.504	2.648	10	30		FFEERN
Cc1cc(C)n(-c2ccc(CCNC(=O)N3CCCNC(=O)[C@H]3C)cc2)n1	ZINC000329973483	510891588	/nfs/dbraw/zinc/89/15/88/510891588.db2.gz	ZOHCPLBMVFWVGZ-MRXNPFEDSA-N	0	0	369.469	2.996	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000330062908	510910420	/nfs/dbraw/zinc/91/04/20/510910420.db2.gz	BEOWVPRIRRNVLB-PMUMKWKESA-N	0	0	371.485	2.963	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O	ZINC000330136820	510923613	/nfs/dbraw/zinc/92/36/13/510923613.db2.gz	HRUZBOLBHRJCDA-JFIYKMOQSA-N	0	0	374.485	2.778	10	30		FFEERN
CCn1cc(-c2n[nH]cc2C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cn1	ZINC000330334607	510967422	/nfs/dbraw/zinc/96/74/22/510967422.db2.gz	YTMXXBKGVGTHOX-AWEZNQCLSA-N	0	0	358.446	2.510	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2nnc3n2CCCC3)cn1	ZINC000330339360	510970162	/nfs/dbraw/zinc/97/01/62/510970162.db2.gz	WOOVTIKFGVIGBF-IVMMDQJWSA-N	0	0	358.446	2.626	10	30		FFEERN
C[C@@H]1CCCc2nc(S(=O)(=O)N3C[C@@H](c4ccccc4)[C@H](C#N)C3)cn21	ZINC000333227960	511182223	/nfs/dbraw/zinc/18/22/23/511182223.db2.gz	XTCRDRYKMKCRDY-OIISXLGYSA-N	0	0	370.478	2.708	10	30		FFEERN
O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)N[C@@H]1CCCC[C@H]1n1cccn1	ZINC000328601453	511890318	/nfs/dbraw/zinc/89/03/18/511890318.db2.gz	FNBSUMMQZGYSPH-XMTFNYHQSA-N	0	0	373.501	2.662	10	30		FFEERN
C[C@H](CN(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1nccs1	ZINC000328605329	511890836	/nfs/dbraw/zinc/89/08/36/511890836.db2.gz	JKZGMAZRZYEOEQ-KFWWJZLASA-N	0	0	364.515	2.884	10	30		FFEERN
Cc1cc([C@H]2CCCN(C(=O)NC3CCN(c4ccccn4)CC3)C2)[nH]n1	ZINC000328662502	511910684	/nfs/dbraw/zinc/91/06/84/511910684.db2.gz	APRGPYFADJVWNN-INIZCTEOSA-N	0	0	368.485	2.876	10	30		FFEERN
C[C@H](C(=O)N1CCCCCC1)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000328689283	511915187	/nfs/dbraw/zinc/91/51/87/511915187.db2.gz	QHRSAOFMZQIKEF-ZOCZFRKYSA-N	0	0	366.465	2.772	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000328839770	511939108	/nfs/dbraw/zinc/93/91/08/511939108.db2.gz	ONBQZMNVVAQACQ-RCCFBDPRSA-N	0	0	352.475	2.518	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCO[C@H](c2ccc(F)c(F)c2)C1	ZINC000328886923	511945967	/nfs/dbraw/zinc/94/59/67/511945967.db2.gz	OHLQKKLSZFKHOB-IXDOHACOSA-N	0	0	352.381	2.820	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)NCCOc3cccc4ccccc43)C[C@H]21	ZINC000328887031	511946453	/nfs/dbraw/zinc/94/64/53/511946453.db2.gz	PCHILMOEUUJFMK-UYAOXDASSA-N	0	0	369.465	2.538	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1)CCC2	ZINC000329090975	511980895	/nfs/dbraw/zinc/98/08/95/511980895.db2.gz	WSFQLHFVQIRVSD-JQHSSLGASA-N	0	0	372.444	2.930	10	30		FFEERN
O=C(CN1CCc2cncnc2C1)Nc1cc2c(cc1Cl)OCCCO2	ZINC000329164944	511997578	/nfs/dbraw/zinc/99/75/78/511997578.db2.gz	HCMLAGPWTGFQNB-UHFFFAOYSA-N	0	0	374.828	2.938	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2C[C@H](C)C[C@H](C)C2)on1	ZINC000329254645	512015192	/nfs/dbraw/zinc/01/51/92/512015192.db2.gz	WZNZYYXNYKKXIA-XRGAULLZSA-N	0	0	352.454	2.787	10	30		FFEERN
Cc1ccc(C)c([C@H]2CCCN2C(=O)N[C@H]2COC[C@H]2n2ccnn2)c1	ZINC000329476277	512054629	/nfs/dbraw/zinc/05/46/29/512054629.db2.gz	NXPHHHBDCYYFIE-RCCFBDPRSA-N	0	0	355.442	2.586	10	30		FFEERN
Cc1nc(C)n(C[C@H]2CCCN(C([O-])=[NH+]CCc3csc(C)n3)C2)n1	ZINC000329665502	512083904	/nfs/dbraw/zinc/08/39/04/512083904.db2.gz	QUTIIHSECPBYDG-HNNXBMFYSA-N	0	0	362.503	2.529	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CCCSC2)CCC(=O)N1C1CC1	ZINC000329705334	512088328	/nfs/dbraw/zinc/08/83/28/512088328.db2.gz	JHGAOBPQWNKAJD-SUYBPPKGSA-N	0	0	362.499	2.714	10	30		FFEERN
O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)N1C[C@@H]2CCC[C@H]2C1	ZINC000329803908	512099313	/nfs/dbraw/zinc/09/93/13/512099313.db2.gz	JYZJHNKAYXRRFS-NJSLBKSFSA-N	0	0	367.449	2.561	10	30		FFEERN
Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cnn1C	ZINC000329899085	512106079	/nfs/dbraw/zinc/10/60/79/512106079.db2.gz	MRWXFWGALQTMEJ-QOKNQOGYSA-N	0	0	368.437	2.568	10	30		FFEERN
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21	ZINC000407951558	512974331	/nfs/dbraw/zinc/97/43/31/512974331.db2.gz	CBZVOXTUCZDDIS-ZBFHGGJFSA-N	0	0	363.483	2.749	10	30		FFEERN
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21	ZINC000407973282	512977609	/nfs/dbraw/zinc/97/76/09/512977609.db2.gz	JGPHWZCKSXQREB-GDBMZVCRSA-N	0	0	363.483	2.891	10	30		FFEERN
N#CC1(CS(=O)(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)CCCCC1	ZINC000408027832	512986377	/nfs/dbraw/zinc/98/63/77/512986377.db2.gz	MUVPMIPGXMZCTB-IAGOWNOFSA-N	0	0	366.458	2.737	10	30		FFEERN
CC(C)(C#N)CNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000408172987	513014921	/nfs/dbraw/zinc/01/49/21/513014921.db2.gz	CWKFDROMXOBBPH-JRQWYPPZSA-N	0	0	357.498	2.860	10	30		FFEERN
COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)CC1(C#N)CCCCC1	ZINC000408228935	513027081	/nfs/dbraw/zinc/02/70/81/513027081.db2.gz	KXCODSOIHIDKMF-XHSDSOJGSA-N	0	0	368.499	2.596	10	30		FFEERN
Cc1c(C(=O)N[C@@H]2CCC[C@@H]2C#N)sc2nc3n(c(=O)c12)CCCCC3	ZINC000408331986	513046713	/nfs/dbraw/zinc/04/67/13/513046713.db2.gz	TXTPYXYZGOKDTI-CHWSQXEVSA-N	0	0	370.478	2.915	10	30		FFEERN
COC(=O)Cc1c(C#N)ccc(I)c1C(F)F	ZINC000575389677	518208619	/nfs/dbraw/zinc/20/86/19/518208619.db2.gz	YNFXVEDEUYMCJV-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)Cc1ccc(C#N)c(I)c1C(F)F	ZINC000575389493	518208661	/nfs/dbraw/zinc/20/86/61/518208661.db2.gz	QPNWSHRUOIMECY-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)c1c(C#N)ccc(I)c1OC(F)(F)F	ZINC000575392823	518210027	/nfs/dbraw/zinc/21/00/27/518210027.db2.gz	ZRRCVNIDOUAEKX-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
N#CCc1cc([N+](=O)[O-])c(OC(F)F)cc1I	ZINC000575667865	518245705	/nfs/dbraw/zinc/24/57/05/518245705.db2.gz	SFUGLZSMPQJLTN-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
C#CCN(C(=O)c1sc2ccc(F)cc2c1C)[C@H]1CCS(=O)(=O)C1	ZINC000104311410	728501491	/nfs/dbraw/zinc/50/14/91/728501491.db2.gz	SKFNOYYWAVQHDR-ZDUSSCGKSA-N	0	0	365.451	2.611	10	30		FFEERN
C#CCCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000126578695	728704150	/nfs/dbraw/zinc/70/41/50/728704150.db2.gz	KDYMPMWFDOYUGQ-AWEZNQCLSA-N	0	0	352.774	2.569	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)c1cnc(-c3cnn(C)c3)s1)CCC2	ZINC000328695983	729794705	/nfs/dbraw/zinc/79/47/05/729794705.db2.gz	DEJFJWNWRZBHMJ-LBPRGKRZSA-N	0	0	356.455	2.931	10	30		FFEERN
O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N[C@@H]1CCCNC1=O	ZINC000329278739	729797022	/nfs/dbraw/zinc/79/70/22/729797022.db2.gz	JTSSYXJHZCXRPN-CHWSQXEVSA-N	0	0	351.378	2.828	10	30		FFEERN
Cc1nc([C@@H](C)NC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)cs1	ZINC000329556543	729798021	/nfs/dbraw/zinc/79/80/21/729798021.db2.gz	DZAQQZZYCBNOPR-OCCSQVGLSA-N	0	0	360.487	2.784	10	30		FFEERN
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CSc2ccccc21	ZINC000329660395	729798569	/nfs/dbraw/zinc/79/85/69/729798569.db2.gz	ONDHIXBQVZLELA-UONOGXRCSA-N	0	0	354.497	2.994	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O	ZINC000333553158	729809173	/nfs/dbraw/zinc/80/91/73/729809173.db2.gz	FXVKSBPYZGGVBD-NILFDRSVSA-N	0	0	353.344	2.972	10	30		FFEERN
CN=c1scc(-c2cnn(C)c2)n1N=Cc1c(F)cc(C#N)cc1F	ZINC000588601048	845984437	/nfs/dbraw/zinc/98/44/37/845984437.db2.gz	INMXDPJORYMUCJ-UHFFFAOYSA-N	0	0	358.377	2.513	10	30		FFEERN
CC(C)(CCC#N)COC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1	ZINC000588616831	845985545	/nfs/dbraw/zinc/98/55/45/845985545.db2.gz	CYOPMKUYEWZZBP-YFHOEESVSA-N	0	0	350.440	2.944	10	30		FFEERN
CCOc1cc(C#N)ccc1OC(=O)c1ccc(-n2cnnn2)cc1Cl	ZINC000103735136	1013542089	/nfs/dbraw/zinc/54/20/89/1013542089.db2.gz	RWZFBFZJSZNZQZ-UHFFFAOYSA-N	0	0	369.768	2.805	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)NC3(c4ccccc4)CC3)C2)nn1	ZINC000329647041	967909094	/nfs/dbraw/zinc/90/90/94/967909094.db2.gz	BFAMXSXICCRNBO-KRWDZBQOSA-N	0	0	351.454	2.947	10	30		FFEERN
N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1	ZINC000329658698	967922765	/nfs/dbraw/zinc/92/27/65/967922765.db2.gz	NLCRBIFTQXMZGO-CRAIPNDOSA-N	0	0	374.448	2.835	10	30		FFEERN
Cc1cnc([C@H](C)NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)o1	ZINC000330076063	970317010	/nfs/dbraw/zinc/31/70/10/970317010.db2.gz	GQHHSVJTDABPGV-ZDUSSCGKSA-N	0	0	358.446	2.765	10	30		FFEERN
CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2ccc(C#N)cn2)C1	ZINC000108220887	1005620642	/nfs/dbraw/zinc/62/06/42/1005620642.db2.gz	CICBMGHFOWCUDP-CQSZACIVSA-N	0	0	358.442	2.720	10	30		FFEERN
C#CCN(Cc1cccc(OCc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1	ZINC000108865789	1005747393	/nfs/dbraw/zinc/74/73/93/1005747393.db2.gz	JYWKWEDAZSYSKM-FQEVSTJZSA-N	0	0	369.486	2.888	10	30		FFEERN
N#CCOc1ccccc1C(=O)N1CCC(NC(=O)CC2CCCC2)CC1	ZINC000108977219	1005766061	/nfs/dbraw/zinc/76/60/61/1005766061.db2.gz	HBAHRFFLXRGMCH-UHFFFAOYSA-N	0	0	369.465	2.890	10	30		FFEERN
CNC(=O)c1cncc(/C=C/C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1	ZINC000110236845	1005915828	/nfs/dbraw/zinc/91/58/28/1005915828.db2.gz	YWKHHHHVVMQSAD-AATRIKPKSA-N	0	0	351.410	2.521	10	30		FFEERN
C=CCO[C@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H](OC)[C@H]1OCC=C	ZINC000077302789	203802465	/nfs/dbraw/zinc/80/24/65/203802465.db2.gz	FMKYMGOFTWEBLP-JWLCQNFESA-N	0	0	362.422	2.614	10	30	in-vitro	FFEERN
Cc1ccc2c(c1)c(=O)n(CCCOC(C)C)c1nnc(SCC#N)n12	ZINC000032985563	204950301	/nfs/dbraw/zinc/95/03/01/204950301.db2.gz	QGAFCSZAVVMGMP-UHFFFAOYSA-N	0	0	371.466	2.783	10	30		FFEERN
Cc1cc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)no1	ZINC000041864839	249383973	/nfs/dbraw/zinc/38/39/73/249383973.db2.gz	FEJJNQMVQSQLAW-VOTSOKGWSA-N	0	0	364.405	2.745	10	30		FFEERN
CC(C)[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000103317858	250146110	/nfs/dbraw/zinc/14/61/10/250146110.db2.gz	GUHXBDYBIYJCLF-QZTJIDSGSA-N	0	0	355.486	3.000	10	30		FFEERN
CNc1cc(N2CCC[C@H]2CNc2cc(C(C)=O)ccc2C#N)ncn1	ZINC000272581984	252073099	/nfs/dbraw/zinc/07/30/99/252073099.db2.gz	VFJWRRLEHIWHJZ-INIZCTEOSA-N	0	0	350.426	2.673	10	30		FFEERN
CC(C)[C@@H]1N(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@@]12CCCO2	ZINC000329335810	258135631	/nfs/dbraw/zinc/13/56/31/258135631.db2.gz	OTPCEQXRNLNZER-PBEJRMEISA-N	0	0	371.456	2.940	10	30		FFEERN
COC(=O)c1cc(C(F)(F)F)c(I)cc1C#N	ZINC000575392140	518209266	/nfs/dbraw/zinc/20/92/66/518209266.db2.gz	BPXZMVGSTGKYQH-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
COC(=O)c1cc(I)c(C#N)c(OC(F)(F)F)c1	ZINC000575392630	518209495	/nfs/dbraw/zinc/20/94/95/518209495.db2.gz	VLGBTNBKEHMNON-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
N#Cc1cc(I)c(Br)cc1[N+](=O)[O-]	ZINC000575691398	518248953	/nfs/dbraw/zinc/24/89/53/518248953.db2.gz	CSFQZSAPBBGFFD-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
N#Cc1cc(Br)c(I)c([N+](=O)[O-])c1	ZINC000575692928	518249129	/nfs/dbraw/zinc/24/91/29/518249129.db2.gz	TXBCATCAOUPNEF-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
Cc1cc(C)nc(NC(=N)Nc2ccc(I)cc2)n1	ZINC000005419683	506441341	/nfs/dbraw/zinc/44/13/41/506441341.db2.gz	FXESJLQSZQXLQR-UHFFFAOYSA-N	0	0	367.194	2.756	10	30		FFEERN
CCCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n[nH]c1=O	ZINC000007364946	506556371	/nfs/dbraw/zinc/55/63/71/506556371.db2.gz	JRLJGNPAUQQMNM-VIFPVBQESA-N	0	0	365.846	2.626	10	30		FFEERN
Cc1ncc2c(c1C#N)CCN(Cc1cn(CCC(N)=O)c3ccccc13)C2	ZINC000055575966	506784906	/nfs/dbraw/zinc/78/49/06/506784906.db2.gz	OAHJDAXMLIRUAS-UHFFFAOYSA-N	0	0	373.460	2.650	10	30		FFEERN
C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)c1	ZINC000067322385	506828340	/nfs/dbraw/zinc/82/83/40/506828340.db2.gz	CTQOCTRWESDYQD-QGZVFWFLSA-N	0	0	352.390	2.830	10	30		FFEERN
C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)c1	ZINC000067322387	506828684	/nfs/dbraw/zinc/82/86/84/506828684.db2.gz	CTQOCTRWESDYQD-KRWDZBQOSA-N	0	0	352.390	2.830	10	30		FFEERN
C[C@H](NC(=O)c1ccco1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000024506534	507417595	/nfs/dbraw/zinc/41/75/95/507417595.db2.gz	PHWGSNOEVAYQBB-LBPRGKRZSA-N	0	0	364.323	2.585	10	30		FFEERN
C=CCC[C@H](CN(C)CC(=O)N(C)C)Oc1cc(C(F)(F)F)ccn1	ZINC000072433022	507790327	/nfs/dbraw/zinc/79/03/27/507790327.db2.gz	NDNIDJUXGZWWDW-CQSZACIVSA-N	0	0	359.392	2.834	10	30		FFEERN
CC1=NN(c2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1	ZINC000107785162	507867709	/nfs/dbraw/zinc/86/77/09/507867709.db2.gz	POIXBBFIVJQVBS-UHFFFAOYSA-N	0	0	374.448	2.502	10	30		FFEERN
N#C[C@H](NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)C1CC1	ZINC000108842377	507921190	/nfs/dbraw/zinc/92/11/90/507921190.db2.gz	OKQMJSYSKWJKFS-JSGCOSHPSA-N	0	0	352.360	2.735	10	30		FFEERN
CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H](C#N)C2CC2)cc1	ZINC000108831060	507921514	/nfs/dbraw/zinc/92/15/14/507921514.db2.gz	OWYWEWAELCYMKX-MRXNPFEDSA-N	0	0	355.467	2.901	10	30		FFEERN
C=CCSCCNC(=O)N1CCC(NC(=O)CC2CCCC2)CC1	ZINC000109018312	507932492	/nfs/dbraw/zinc/93/24/92/507932492.db2.gz	ZUBGKOBVTOZWAS-UHFFFAOYSA-N	0	0	353.532	2.776	10	30		FFEERN
C[C@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CCCO1	ZINC000092187412	508048602	/nfs/dbraw/zinc/04/86/02/508048602.db2.gz	PJIRNXFEOGSNKM-LYAPFXNSSA-N	0	0	358.442	2.510	10	30		FFEERN
COC(=O)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1ccccc1	ZINC000075696256	508129779	/nfs/dbraw/zinc/12/97/79/508129779.db2.gz	NMFVXIZENNQDAL-WMLDXEAASA-N	0	0	352.390	2.746	10	30		FFEERN
N#Cc1cn(S(=O)(=O)c2ccccc2)c2ncc(Br)cc12	ZINC000095937215	508198449	/nfs/dbraw/zinc/19/84/49/508198449.db2.gz	OEBPCBVZVAMSFD-UHFFFAOYSA-N	0	0	362.208	2.907	10	30		FFEERN
CCCNC(=O)N1CC[C@@]2(C1)NCc1ccccc1NC2=NC(C)(C)C	ZINC000097076916	508218153	/nfs/dbraw/zinc/21/81/53/508218153.db2.gz	GNPFXTHUNTVGTO-FQEVSTJZSA-N	0	0	357.502	2.963	10	30		FFEERN
COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	ZINC000104394495	508333751	/nfs/dbraw/zinc/33/37/51/508333751.db2.gz	BSFUBWCOIHFWQK-QRVBRYPASA-N	0	0	364.401	2.756	10	30		FFEERN
COc1ccccc1CCN(C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000105541092	508375356	/nfs/dbraw/zinc/37/53/56/508375356.db2.gz	XJIYPRBPXBQZCD-UHFFFAOYSA-N	0	0	371.824	2.860	10	30		FFEERN
N#Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2nccs2)ccc1F	ZINC000127159857	508407711	/nfs/dbraw/zinc/40/77/11/508407711.db2.gz	AUUQPIHVTFUBCY-AWEZNQCLSA-N	0	0	358.398	2.846	10	30		FFEERN
C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000156969948	508504774	/nfs/dbraw/zinc/50/47/74/508504774.db2.gz	JQTPFDDGLBIGSS-KSSFIOAISA-N	0	0	361.401	2.832	10	30		FFEERN
C=CCc1cc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)cc(OC)c1O	ZINC000122398825	508528827	/nfs/dbraw/zinc/52/88/27/508528827.db2.gz	UGQPUFBIHMXEHA-GOSISDBHSA-N	0	0	357.454	2.535	10	30		FFEERN
CC(C)Oc1ccc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1C#N	ZINC000157625233	508589353	/nfs/dbraw/zinc/58/93/53/508589353.db2.gz	ZEGJPMQQLQPEKC-YJBOKZPZSA-N	0	0	372.469	2.530	10	30		FFEERN
N#Cc1ccc(C(=O)NCC(=O)N2CC=C(c3ccccc3F)CC2)cc1	ZINC000119095244	508725249	/nfs/dbraw/zinc/72/52/49/508725249.db2.gz	AVKJOQBFDCTBSG-UHFFFAOYSA-N	0	0	363.392	2.743	10	30		FFEERN
C=CCc1cc(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc(OC)c1O	ZINC000119783152	508861632	/nfs/dbraw/zinc/86/16/32/508861632.db2.gz	TZQZWGKCEAENBG-GOSISDBHSA-N	0	0	352.434	2.542	10	30		FFEERN
COCC[N@@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C	ZINC000159923337	508911864	/nfs/dbraw/zinc/91/18/64/508911864.db2.gz	SZXRHGIJVJSVIZ-HNNXBMFYSA-N	0	0	356.388	2.589	10	30		FFEERN
C[C@H](C#N)NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1	ZINC000160641234	509012883	/nfs/dbraw/zinc/01/28/83/509012883.db2.gz	JAZKPPCTUXIYIU-MRVPVSSYSA-N	0	0	372.269	2.763	10	30		FFEERN
CCN(CCC#N)C(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161133387	509075584	/nfs/dbraw/zinc/07/55/84/509075584.db2.gz	JHFYZWPDVWWQQJ-JKSUJKDBSA-N	0	0	369.387	2.575	10	30		FFEERN
CCN(C(=O)C1CCN(c2nccc(OC)n2)CC1)c1ccc(C#N)cc1	ZINC000151845208	509094852	/nfs/dbraw/zinc/09/48/52/509094852.db2.gz	AUTPAHPIXQSSKL-UHFFFAOYSA-N	0	0	365.437	2.626	10	30		FFEERN
COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(C#N)c(C)n2)C1	ZINC000178925372	509185212	/nfs/dbraw/zinc/18/52/12/509185212.db2.gz	ULPIEFHFCASTAW-MSOLQXFVSA-N	0	0	363.417	2.681	10	30		FFEERN
Cc1ccc([C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CCO2)o1	ZINC000185509340	509213184	/nfs/dbraw/zinc/21/31/84/509213184.db2.gz	LRPBSSRKKDSLDP-HNNXBMFYSA-N	0	0	366.826	2.875	10	30		FFEERN
CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCN1C(=O)c1cccnc1	ZINC000172753762	509215590	/nfs/dbraw/zinc/21/55/90/509215590.db2.gz	MDTUAEVFULCFLQ-IBGZPJMESA-N	0	0	362.433	2.607	10	30		FFEERN
N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1	ZINC000248053540	509226964	/nfs/dbraw/zinc/22/69/64/509226964.db2.gz	WXGVAZGZJPURSE-XJKSGUPXSA-N	0	0	354.859	2.527	10	30		FFEERN
CCc1nccn1[C@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000175983354	509255212	/nfs/dbraw/zinc/25/52/12/509255212.db2.gz	QUQTYIGDFBFMGH-KRWDZBQOSA-N	0	0	367.453	2.743	10	30		FFEERN
C=CCN(CCOC)C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C	ZINC000191979164	509275680	/nfs/dbraw/zinc/27/56/80/509275680.db2.gz	JCRITRRBEZSXQM-INIZCTEOSA-N	0	0	352.862	2.755	10	30		FFEERN
C[C@](O)(CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccccc1	ZINC000248412817	509305128	/nfs/dbraw/zinc/30/51/28/509305128.db2.gz	KCMVUOHDOSEEPP-UNMCSNQZSA-N	0	0	363.461	2.521	10	30		FFEERN
COc1ccccc1O[C@H]1O[C@H]1COC[C@H]1O[C@H]1Oc1ccccc1OC	ZINC000221251082	509305994	/nfs/dbraw/zinc/30/59/94/509305994.db2.gz	CKOJVJMMOLAYOR-FGYAAKKASA-N	0	0	374.389	2.628	10	30		FFEERN
CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(C#N)c2)CC1	ZINC000192101551	509346472	/nfs/dbraw/zinc/34/64/72/509346472.db2.gz	DBJYZJFYSIJTEN-UHFFFAOYSA-N	0	0	371.481	2.826	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cc(C#N)cs3)C[C@H]21	ZINC000248610371	509389370	/nfs/dbraw/zinc/38/93/70/509389370.db2.gz	QCWHBEWFUVBURS-BFHYXJOUSA-N	0	0	361.467	2.995	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C12CCOCC2	ZINC000189167531	509447741	/nfs/dbraw/zinc/44/77/41/509447741.db2.gz	PRCOEQZGRIBOAH-ZWKOTPCHSA-N	0	0	354.450	2.680	10	30		FFEERN
C[C@H](C(=O)OC(C)(C)C)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248782531	509484480	/nfs/dbraw/zinc/48/44/80/509484480.db2.gz	VPHVYHSJNYUOOV-PBHICJAKSA-N	0	0	357.454	2.716	10	30		FFEERN
C=CCCO[C@@H](C)C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1	ZINC000176526132	509563710	/nfs/dbraw/zinc/56/37/10/509563710.db2.gz	AXVOFALXVSAYIZ-JKSUJKDBSA-N	0	0	352.500	2.561	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000189428332	509570872	/nfs/dbraw/zinc/57/08/72/509570872.db2.gz	SWXNPZGOXWLFCW-HOTGVXAUSA-N	0	0	356.447	3.000	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(C#N)ccc2C)cs1	ZINC000189452873	509582630	/nfs/dbraw/zinc/58/26/30/509582630.db2.gz	HWBRLUPNWXCNRU-INIZCTEOSA-N	0	0	354.435	2.934	10	30		FFEERN
C=CCCCCCN(C)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1	ZINC000173421926	509587732	/nfs/dbraw/zinc/58/77/32/509587732.db2.gz	KJHVOXFOAYNVCV-MRXNPFEDSA-N	0	0	360.506	2.875	10	30		FFEERN
C[C@@H]1CN([C@@H](CNC(=O)c2cccc(C#N)c2)c2cccs2)CCO1	ZINC000176580778	509594723	/nfs/dbraw/zinc/59/47/23/509594723.db2.gz	JNLIKUBODRHPQI-PBHICJAKSA-N	0	0	355.463	2.812	10	30		FFEERN
Cc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CCO2)o1	ZINC000167761672	509640321	/nfs/dbraw/zinc/64/03/21/509640321.db2.gz	QMFXWAVOEJAOTN-INIZCTEOSA-N	0	0	366.826	2.875	10	30		FFEERN
C=CCCCCCN(C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O	ZINC000173562830	509652769	/nfs/dbraw/zinc/65/27/69/509652769.db2.gz	MHBHRCNRAOVEEU-MRXNPFEDSA-N	0	0	361.490	2.612	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cccc(C#N)c3)C[C@H]12	ZINC000183230757	509668017	/nfs/dbraw/zinc/66/80/17/509668017.db2.gz	ODYZMQWVGQVWHA-IXDOHACOSA-N	0	0	355.438	2.934	10	30		FFEERN
C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1nnc2n1CCCC2	ZINC000173630183	509685672	/nfs/dbraw/zinc/68/56/72/509685672.db2.gz	WDRKIHQAFZSTOK-CVEARBPZSA-N	0	0	366.469	2.600	10	30		FFEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000180013423	509709953	/nfs/dbraw/zinc/70/99/53/509709953.db2.gz	MSFOYTWQEMUDTB-TZMCWYRMSA-N	0	0	354.414	2.788	10	30		FFEERN
COc1cc(C=CC(=O)N2CCC[C@H](c3cc[nH]n3)C2)ccc1OCC#N	ZINC000170674442	509713204	/nfs/dbraw/zinc/71/32/04/509713204.db2.gz	CTEGQISDWROCRV-YERXGYGTSA-N	0	0	366.421	2.740	10	30		FFEERN
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1nnc2n1CCCC2	ZINC000180049001	509726921	/nfs/dbraw/zinc/72/69/21/509726921.db2.gz	PTDGLCWUFZPUQF-STQMWFEESA-N	0	0	354.414	2.788	10	30		FFEERN
N#Cc1ccc(N2CCC[C@H](Sc3ncnc4[nH]cnc43)C2=O)cc1	ZINC000180053070	509728514	/nfs/dbraw/zinc/72/85/14/509728514.db2.gz	FHTUNWVMAUMXHY-ZDUSSCGKSA-N	0	0	350.407	2.512	10	30		FFEERN
CCCCN1C(=O)CC[C@H](C(=O)N[C@H](C)C#N)[C@@H]1c1ccccc1OC	ZINC000249723857	509742705	/nfs/dbraw/zinc/74/27/05/509742705.db2.gz	FJGXSNUHBCDPJO-ALKREAHSSA-N	0	0	357.454	2.803	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)cc1	ZINC000176900130	509754967	/nfs/dbraw/zinc/75/49/67/509754967.db2.gz	PMYDTKIASBTENV-GOSISDBHSA-N	0	0	367.453	2.804	10	30		FFEERN
CCn1c2ccc(C#N)cc2nc1NC(=O)C1CCC(C(=O)OC)CC1	ZINC000180270912	509841550	/nfs/dbraw/zinc/84/15/50/509841550.db2.gz	LSAGFWHUNUCFGS-UHFFFAOYSA-N	0	0	354.410	2.846	10	30		FFEERN
C=CCN(CC=C)C(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12	ZINC000193318610	509864760	/nfs/dbraw/zinc/86/47/60/509864760.db2.gz	PLMXGLUQCJIBFR-QGZVFWFLSA-N	0	0	355.463	2.884	10	30		FFEERN
C[C@H](C#N)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F	ZINC000245394140	509897651	/nfs/dbraw/zinc/89/76/51/509897651.db2.gz	XHSIVJNZAOUBNZ-UDVXPWBQSA-N	0	0	361.392	2.766	10	30		FFEERN
CCOc1cc(C=Nc2cnn(C)c2C(=O)NCc2ccco2)ccc1O	ZINC000254842803	509910716	/nfs/dbraw/zinc/91/07/16/509910716.db2.gz	YPEHPNDMNXOHCK-UHFFFAOYSA-N	0	0	368.393	2.798	10	30		FFEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]1Cn1ccnc1C	ZINC000177182037	509922273	/nfs/dbraw/zinc/92/22/73/509922273.db2.gz	TXGMYVXGAXKHHI-SFHVURJKSA-N	0	0	368.485	2.542	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1	ZINC000183680092	509923815	/nfs/dbraw/zinc/92/38/15/509923815.db2.gz	VONBSDMZLYJJKO-VMPITWQZSA-N	0	0	370.372	2.693	10	30		FFEERN
N#Cc1ccc(-c2nnc(CN3CCCN(c4ccccn4)CC3)o2)cc1	ZINC000183823027	509993043	/nfs/dbraw/zinc/99/30/43/509993043.db2.gz	ZJDORLNJVNLOLU-UHFFFAOYSA-N	0	0	360.421	2.716	10	30		FFEERN
CCO[C@@H]1C[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C12CCOCC2	ZINC000187094531	510053128	/nfs/dbraw/zinc/05/31/28/510053128.db2.gz	SNGDNGORVGSZBN-QZTJIDSGSA-N	0	0	372.465	2.806	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)CSc2ccc(C#N)cc2)C12CCOCC2	ZINC000187141103	510082915	/nfs/dbraw/zinc/08/29/15/510082915.db2.gz	UEWQJLWPDCPCNX-DLBZAZTESA-N	0	0	360.479	2.741	10	30		FFEERN
Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000180746867	510088401	/nfs/dbraw/zinc/08/84/01/510088401.db2.gz	GCWFTKRDLNAWEY-AEFFLSMTSA-N	0	0	364.449	2.561	10	30		FFEERN
N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1	ZINC000177527067	510116717	/nfs/dbraw/zinc/11/67/17/510116717.db2.gz	JMTZMMRRYTVAIZ-LJQANCHMSA-N	0	0	373.416	2.994	10	30		FFEERN
N#Cc1cccc(CS(=O)(=O)NC2(c3noc(C4CC4)n3)CCCC2)c1	ZINC000177583984	510144926	/nfs/dbraw/zinc/14/49/26/510144926.db2.gz	DUPRJBABGGNZHU-UHFFFAOYSA-N	0	0	372.450	2.708	10	30		FFEERN
CN(C)c1noc(C2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)n1	ZINC000193963192	510152269	/nfs/dbraw/zinc/15/22/69/510152269.db2.gz	GBGLDCGKDNNIHO-UHFFFAOYSA-N	0	0	365.437	2.711	10	30		FFEERN
CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cc(C#N)cs1	ZINC000177620586	510164996	/nfs/dbraw/zinc/16/49/96/510164996.db2.gz	HRBMZDVHCKMYRL-AWEZNQCLSA-N	0	0	361.492	2.827	10	30		FFEERN
CN1CC[C@@H](CNS(=O)(=O)Cc2cccc(C#N)c2)c2ccccc21	ZINC000193997004	510167209	/nfs/dbraw/zinc/16/72/09/510167209.db2.gz	WOUVYJVMYGOYTK-KRWDZBQOSA-N	0	0	355.463	2.601	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1	ZINC000246197070	510355215	/nfs/dbraw/zinc/35/52/15/510355215.db2.gz	UHMRSWXTCMBKFB-BRWVUGGUSA-N	0	0	355.438	2.682	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1	ZINC000246197079	510355566	/nfs/dbraw/zinc/35/55/66/510355566.db2.gz	UHMRSWXTCMBKFB-GVDBMIGSSA-N	0	0	355.438	2.682	10	30		FFEERN
CN(C)c1noc([C@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)n1	ZINC000194439226	510365190	/nfs/dbraw/zinc/36/51/90/510365190.db2.gz	QOFSPHZWXADFHU-AWEZNQCLSA-N	0	0	371.466	2.771	10	30		FFEERN
C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC000178009772	510374835	/nfs/dbraw/zinc/37/48/35/510374835.db2.gz	ZNKQMPJYXLDPFG-ACJLOTCBSA-N	0	0	359.389	2.701	10	30		FFEERN
CC[C@H](C#N)NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1	ZINC000188104072	510596104	/nfs/dbraw/zinc/59/61/04/510596104.db2.gz	ZGXSGKYNSXMCAX-KGLIPLIRSA-N	0	0	372.874	2.868	10	30		FFEERN
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)NCc1cccc(C#N)c1	ZINC000175441260	510649081	/nfs/dbraw/zinc/64/90/81/510649081.db2.gz	SUWOPTBCGKAJDP-INIZCTEOSA-N	0	0	358.442	2.757	10	30		FFEERN
N#CCSc1cccc(C(=O)N2CCC(c3ccnn3CCO)CC2)c1	ZINC000181922390	510662741	/nfs/dbraw/zinc/66/27/41/510662741.db2.gz	BLISHTBHYCGSQZ-UHFFFAOYSA-N	0	0	370.478	2.511	10	30		FFEERN
CC(C)CCN(CCC#N)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C	ZINC000246901203	510734695	/nfs/dbraw/zinc/73/46/95/510734695.db2.gz	HAGADVFUYOBBIZ-YJBOKZPZSA-N	0	0	354.516	2.973	10	30		FFEERN
O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCn2ncnc2C1	ZINC000329960408	510886472	/nfs/dbraw/zinc/88/64/72/510886472.db2.gz	NWIAICMOKBYVKK-HNNXBMFYSA-N	0	0	353.426	2.844	10	30		FFEERN
CC(=O)N[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1)C1CCCC1	ZINC000329985946	510893373	/nfs/dbraw/zinc/89/33/73/510893373.db2.gz	RNKBEMAWVSFIEM-ZOBUZTSGSA-N	0	0	363.437	2.885	10	30		FFEERN
CC[C@@H]1CCC[C@@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C	ZINC000329986882	510893731	/nfs/dbraw/zinc/89/37/31/510893731.db2.gz	SGQSMDJPKUVSSL-FZCLSBEQSA-N	0	0	365.497	2.757	10	30		FFEERN
CC[C@@]1(C)CN(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)CCO1	ZINC000330027377	510903131	/nfs/dbraw/zinc/90/31/31/510903131.db2.gz	MZPQMODWKZEUOA-QRFRQXIXSA-N	0	0	359.470	2.621	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)C[C@H]1CO	ZINC000330041166	510905600	/nfs/dbraw/zinc/90/56/00/510905600.db2.gz	GCVFPNOCQNEILT-HACGYAERSA-N	0	0	362.861	2.637	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1	ZINC000330251824	510948010	/nfs/dbraw/zinc/94/80/10/510948010.db2.gz	HXUXYUJTMJXRIG-UPJWGTAASA-N	0	0	353.488	2.905	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2nnc(C3CCC3)n2C)cn1	ZINC000330336712	510967978	/nfs/dbraw/zinc/96/79/78/510967978.db2.gz	SRBIBEXDFMYDGV-GOEBONIOSA-N	0	0	358.446	2.533	10	30		FFEERN
Cc1noc([C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)C2CCOCC2)n1	ZINC000328619485	511894606	/nfs/dbraw/zinc/89/46/06/511894606.db2.gz	FVWWDSVMOFYINJ-UGSOOPFHSA-N	0	0	356.426	2.926	10	30		FFEERN
CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)N[C@@H]2C=CCCC2)CC1	ZINC000328625398	511898519	/nfs/dbraw/zinc/89/85/19/511898519.db2.gz	DDKLQHKNRFJTIP-NVXWUHKLSA-N	0	0	369.531	2.678	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)C12CCOCC2	ZINC000328758554	511927061	/nfs/dbraw/zinc/92/70/61/511927061.db2.gz	VZZVYLNEROOKQX-QLFBSQMISA-N	0	0	365.474	2.506	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)no1	ZINC000328802036	511934232	/nfs/dbraw/zinc/93/42/32/511934232.db2.gz	AOZQXCORMIUKGD-IXDOHACOSA-N	0	0	355.442	2.874	10	30		FFEERN
CO[C@H](C)c1nsc(N2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)n1	ZINC000328816905	511936142	/nfs/dbraw/zinc/93/61/42/511936142.db2.gz	PWOSZFQXEZWVSL-KOLCDFICSA-N	0	0	350.448	2.961	10	30		FFEERN
C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000328979062	511961295	/nfs/dbraw/zinc/96/12/95/511961295.db2.gz	XGTLJOYXJXUDMK-BPQIPLTHSA-N	0	0	370.497	2.759	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1	ZINC000329000490	511964225	/nfs/dbraw/zinc/96/42/25/511964225.db2.gz	VRNLYSAOMXFYHQ-NOZJJQNGSA-N	0	0	362.821	2.506	10	30		FFEERN
CC[C@@H]1CCC[C@H](NC(=O)N2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)C1	ZINC000329000558	511964582	/nfs/dbraw/zinc/96/45/82/511964582.db2.gz	HKMRHGPRVJZQRV-QZWWFDLISA-N	0	0	351.491	2.581	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CCCCC2(C)C)C1	ZINC000329048352	511973494	/nfs/dbraw/zinc/97/34/94/511973494.db2.gz	KDXLGDLLDOZQCX-HRCADAONSA-N	0	0	351.491	2.581	10	30		FFEERN
CC(C)(C)[C@@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1cccs1	ZINC000329177490	511999681	/nfs/dbraw/zinc/99/96/81/511999681.db2.gz	MUWAQCBWMWIECT-BJJXKVORSA-N	0	0	370.540	2.911	10	30		FFEERN
Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2nc3ccccc3o2)CC1	ZINC000329184954	512001086	/nfs/dbraw/zinc/00/10/86/512001086.db2.gz	PZNPTNSVEUYUHE-UHFFFAOYSA-N	0	0	368.441	2.588	10	30		FFEERN
CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@H]2CCCOc3cc(F)ccc32)O1	ZINC000329230887	512010028	/nfs/dbraw/zinc/01/00/28/512010028.db2.gz	KGNFRDDXZQTHBC-SOUVJXGZSA-N	0	0	350.390	2.632	10	30		FFEERN
CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCC(n3ccnc3)CC1)C2	ZINC000329277761	512018769	/nfs/dbraw/zinc/01/87/69/512018769.db2.gz	LUDSFZUYYLDUKQ-HNNXBMFYSA-N	0	0	370.501	2.943	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC(C2CCC2)C2CCC2)C1	ZINC000329296157	512021793	/nfs/dbraw/zinc/02/17/93/512021793.db2.gz	KIMPZQHWFLNEGJ-IRXDYDNUSA-N	0	0	363.502	2.581	10	30		FFEERN
Cc1ncc(CN2CCN(C(=O)NCC3C[C@H](C)O[C@@H](C)C3)CC2)s1	ZINC000329820034	512101435	/nfs/dbraw/zinc/10/14/35/512101435.db2.gz	YBQAGFRXFHRLDP-KBPBESRZSA-N	0	0	366.531	2.687	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CC[C@H](N3CCOCC3)C2)cc1	ZINC000329890868	512105811	/nfs/dbraw/zinc/10/58/11/512105811.db2.gz	GYSOMYLBUIJMDY-UFYCRDLUSA-N	0	0	373.497	2.536	10	30		FFEERN
N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F	ZINC000408337553	513046482	/nfs/dbraw/zinc/04/64/82/513046482.db2.gz	CEVDWKWQXWTKKE-RDDDGLTNSA-N	0	0	365.199	2.698	10	30		FFEERN
COC(=O)c1ccc(C#N)c(OC(F)F)c1I	ZINC000575386071	518208687	/nfs/dbraw/zinc/20/86/87/518208687.db2.gz	JIYVJEHUKAVOED-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
N#Cc1cc(Br)c(I)cc1[N+](=O)[O-]	ZINC000575693204	518250683	/nfs/dbraw/zinc/25/06/83/518250683.db2.gz	XSTNZRBFDWBVIE-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
N#CCc1c(I)ccc([N+](=O)[O-])c1OC(F)F	ZINC000575668854	518247162	/nfs/dbraw/zinc/24/71/62/518247162.db2.gz	ZLFJMSGZWKBOIB-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
COC(=O)C(CC(=O)c1ccc([N+](=O)[O-])cc1)=Nc1ccc(OC)cc1	ZINC000100274408	522739749	/nfs/dbraw/zinc/73/97/49/522739749.db2.gz	IMXQQZVKMTUBGA-LFIBNONCSA-N	0	0	356.334	2.955	10	30		FFEERN
C#CCN(C(=O)c1sc2cccc(F)c2c1C)[C@@H]1CCS(=O)(=O)C1	ZINC000104308595	728501615	/nfs/dbraw/zinc/50/16/15/728501615.db2.gz	WJEHDAARLRNFPB-GFCCVEGCSA-N	0	0	365.451	2.611	10	30		FFEERN
CCc1nn(C)c(Cl)c1CN1CCN(Cc2ccccc2C#N)CC1	ZINC000106159605	728509875	/nfs/dbraw/zinc/50/98/75/728509875.db2.gz	ZGMOKXNFQKTQBF-UHFFFAOYSA-N	0	0	357.889	2.825	10	30		FFEERN
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)c1cccs1	ZINC000178134611	729154457	/nfs/dbraw/zinc/15/44/57/729154457.db2.gz	HUKTZDSEVRYJCA-RYUDHWBXSA-N	0	0	364.448	2.591	10	30		FFEERN
C=C(Br)COC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1	ZINC000179150961	729178904	/nfs/dbraw/zinc/17/89/04/729178904.db2.gz	JQDOHDNBYXLBRY-JSGCOSHPSA-N	0	0	356.191	2.797	10	30		FFEERN
Cc1c(Cl)cnc(NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)c1C#N	ZINC000886043495	733743195	/nfs/dbraw/zinc/74/31/95/733743195.db2.gz	UIHZYHISKSLLCM-GUYCJALGSA-N	0	0	355.829	2.942	10	30		FFEERN
Cc1nc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Cl)cc1C#N	ZINC000702794649	734357910	/nfs/dbraw/zinc/35/79/10/734357910.db2.gz	HGFGQXOMIYEZGS-TZMCWYRMSA-N	0	0	366.849	2.555	10	30		FFEERN
C#CCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)c1	ZINC000108452780	965150781	/nfs/dbraw/zinc/15/07/81/965150781.db2.gz	CVKZJANTCYSURL-GOSISDBHSA-N	0	0	364.401	2.648	10	30		FFEERN
Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000329260363	967588963	/nfs/dbraw/zinc/58/89/63/967588963.db2.gz	FPGKVYXEINPFFP-ZFWWWQNUSA-N	0	0	370.501	2.810	10	30		FFEERN
CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000104837163	1004818600	/nfs/dbraw/zinc/81/86/00/1004818600.db2.gz	CUZJWOPSKFPQCE-UHFFFAOYSA-N	0	0	366.812	2.647	10	30		FFEERN
N#Cc1ccccc1OCC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000006552135	1013000199	/nfs/dbraw/zinc/00/01/99/1013000199.db2.gz	RNTMMDCBRAFKSX-UHFFFAOYSA-N	0	0	368.433	2.565	10	30		FFEERN
N#Cc1ccc(OC2CN(C(=O)/C=C\c3cnc4ccccc4n3)C2)cc1	ZINC000588466705	1042460550	/nfs/dbraw/zinc/46/05/50/1042460550.db2.gz	FDNKGHFDFNPZAV-YFHOEESVSA-N	0	0	356.385	2.804	10	30		FFEERN
CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C42CC2)cc1OC	ZINC000005091837	204191519	/nfs/dbraw/zinc/19/15/19/204191519.db2.gz	MJKLNCOKKURFGN-VDOJWDONSA-N	0	0	366.417	2.625	10	30		FFEERN
O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)NC2=C1C(=O)CCC2	ZINC000008515394	204333791	/nfs/dbraw/zinc/33/37/91/204333791.db2.gz	NUABQZKYTZOZDO-SECBINFHSA-N	0	0	352.312	2.787	10	30		FFEERN
N#Cc1ccc(CCC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1	ZINC000011000632	249315348	/nfs/dbraw/zinc/31/53/48/249315348.db2.gz	IAXYPSIKJHWKEI-KRWDZBQOSA-N	0	0	354.431	2.526	10	30		FFEERN
Cc1nnc([C@@H](NC(=O)CSc2ccc(C#N)cc2)c2ccccc2)[nH]1	ZINC000103279959	250142242	/nfs/dbraw/zinc/14/22/42/250142242.db2.gz	OTBSYWOQFZZFNC-SFHVURJKSA-N	0	0	363.446	2.983	10	30		FFEERN
CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104487965	250178726	/nfs/dbraw/zinc/17/87/26/250178726.db2.gz	OWAPSWIWYXYTKS-IBGZPJMESA-N	0	0	369.465	2.575	10	30		FFEERN
Cc1cccc(N2CCC(NS(=O)(=O)c3cc(C#N)ccc3C)CC2)n1	ZINC000116904776	250322520	/nfs/dbraw/zinc/32/25/20/250322520.db2.gz	ALONVNHYCQPTPW-UHFFFAOYSA-N	0	0	370.478	2.517	10	30		FFEERN
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc(Cl)cn2)CC1	ZINC000302170249	258092833	/nfs/dbraw/zinc/09/28/33/258092833.db2.gz	PVHMULTWPWRNMT-UHFFFAOYSA-N	0	0	357.801	2.837	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H]4COCC[C@H]43)C2)n1	ZINC000328779717	258120580	/nfs/dbraw/zinc/12/05/80/258120580.db2.gz	FAHUTQIRZDKRJW-GBESFXJTSA-N	0	0	368.481	2.506	10	30		FFEERN
CC(C)[C@@H]1N(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@]12CCCO2	ZINC000329335807	258135725	/nfs/dbraw/zinc/13/57/25/258135725.db2.gz	OTPCEQXRNLNZER-LKUPVBHCSA-N	0	0	371.456	2.940	10	30		FFEERN
COC(=O)c1cc(OC(F)(F)F)cc(C#N)c1I	ZINC000575392557	518209475	/nfs/dbraw/zinc/20/94/75/518209475.db2.gz	QKENVUAYMCGEBY-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
N#Cc1c(Br)ccc(I)c1[N+](=O)[O-]	ZINC000575691742	518249468	/nfs/dbraw/zinc/24/94/68/518249468.db2.gz	GTXGDGCBBRYKJO-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCCN(c2ncccc2C#N)CC1	ZINC000066437734	506519576	/nfs/dbraw/zinc/51/95/76/506519576.db2.gz	ROGZPLZADFPBGR-ZHALLVOQSA-N	0	0	369.513	2.549	10	30		FFEERN
Cc1oncc1C(=O)N1CCC(C(=O)Nc2cc(C#N)ccc2C)CC1	ZINC000063961966	507781691	/nfs/dbraw/zinc/78/16/91/507781691.db2.gz	OPFRNEQORHGDOR-UHFFFAOYSA-N	0	0	352.394	2.654	10	30		FFEERN
COc1cc(CCC(=O)N[C@@H](C#N)C2CC2)ccc1OCC(F)(F)F	ZINC000108838764	507921096	/nfs/dbraw/zinc/92/10/96/507921096.db2.gz	SXDKQVDXAOGHLU-ZDUSSCGKSA-N	0	0	356.344	2.987	10	30		FFEERN
N#C[C@H](NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)C1CC1	ZINC000108842379	507921463	/nfs/dbraw/zinc/92/14/63/507921463.db2.gz	OKQMJSYSKWJKFS-OCCSQVGLSA-N	0	0	352.360	2.735	10	30		FFEERN
N#C[C@@H]1CN(C(=O)Nc2ccc3c(c2)COC3)CCN1Cc1ccccc1	ZINC000092150109	508046695	/nfs/dbraw/zinc/04/66/95/508046695.db2.gz	OLRPYBDXNYMVDV-HXUWFJFHSA-N	0	0	362.433	2.959	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1	ZINC000074681744	508047492	/nfs/dbraw/zinc/04/74/92/508047492.db2.gz	DLXKKDASFGMUEA-LCCNJJIFSA-N	0	0	356.429	2.808	10	30		FFEERN
Cc1ncc(CN2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)s1	ZINC000111715227	508116820	/nfs/dbraw/zinc/11/68/20/508116820.db2.gz	NMJHBWIWDRYOHS-UHFFFAOYSA-N	0	0	355.467	2.867	10	30		FFEERN
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCc2nc(CC)nn2C1	ZINC000114977368	508364207	/nfs/dbraw/zinc/36/42/07/508364207.db2.gz	FSMKYXISWYHXNA-MRXNPFEDSA-N	0	0	369.469	2.562	10	30		FFEERN
O=C(NO)c1cnc2cc(Oc3ccnc(NC(=O)C4CC4)c3)ccc2c1	ZINC000115937155	508457071	/nfs/dbraw/zinc/45/70/71/508457071.db2.gz	UOINSGYGDDNTNA-UHFFFAOYSA-N	0	0	364.361	2.890	10	30		FFEERN
N#Cc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c1	ZINC000152624636	508481426	/nfs/dbraw/zinc/48/14/26/508481426.db2.gz	VBNGKANJDNGAQZ-RYUDHWBXSA-N	0	0	355.257	2.741	10	30		FFEERN
Cc1nc(CN2CCCN(C(=O)NCc3cccc(C#N)c3)CC2)cs1	ZINC000116421637	508511360	/nfs/dbraw/zinc/51/13/60/508511360.db2.gz	VFVZHNFEROZJQV-UHFFFAOYSA-N	0	0	369.494	2.741	10	30		FFEERN
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCn2cc(C)cn2)cc1	ZINC000118015615	508626279	/nfs/dbraw/zinc/62/62/79/508626279.db2.gz	NJYAEJJGMXUBOD-UHFFFAOYSA-N	0	0	367.453	2.827	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1	ZINC000123362837	508675412	/nfs/dbraw/zinc/67/54/12/508675412.db2.gz	SGECBGJCAUMUGB-HRAATJIYSA-N	0	0	372.465	2.734	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1nnc2n1CCCC2	ZINC000123736738	508731761	/nfs/dbraw/zinc/73/17/61/508731761.db2.gz	JNHZQEMAHLBVTK-AWEZNQCLSA-N	0	0	355.442	2.740	10	30		FFEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000123863523	508749306	/nfs/dbraw/zinc/74/93/06/508749306.db2.gz	ZVOZEJTVDMQJSP-MSOLQXFVSA-N	0	0	374.437	2.974	10	30		FFEERN
C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1ccc2c(c1)OCCO2	ZINC000156181480	509140250	/nfs/dbraw/zinc/14/02/50/509140250.db2.gz	FDYJAHXBKXXHEL-LLVKDONJSA-N	0	0	362.382	2.508	10	30		FFEERN
CC(C)c1nc([C@@H]2CCCN2C(=O)C#Cc2ccc3c(c2)OCO3)no1	ZINC000121652703	509180068	/nfs/dbraw/zinc/18/00/68/509180068.db2.gz	FHPABLFGPUKFEO-AWEZNQCLSA-N	0	0	353.378	2.637	10	30		FFEERN
C[C@@H](NC(=O)C1(C#N)CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000172703674	509187561	/nfs/dbraw/zinc/18/75/61/509187561.db2.gz	JCCDDVLAABBGJH-GFCCVEGCSA-N	0	0	352.431	2.880	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N2CCC(OC3CCCC3)CC2)cc1	ZINC000195485664	509188796	/nfs/dbraw/zinc/18/87/96/509188796.db2.gz	ANDUSNZCMMTVSM-UHFFFAOYSA-N	0	0	355.438	2.641	10	30		FFEERN
CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCCN1C(=O)c1cccnc1	ZINC000172752786	509213468	/nfs/dbraw/zinc/21/34/68/509213468.db2.gz	XODURUBFXUXOAO-LJQANCHMSA-N	0	0	362.433	2.607	10	30		FFEERN
CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)c(C)n2)c2ccc(F)cc2C1	ZINC000185526104	509221317	/nfs/dbraw/zinc/22/13/17/509221317.db2.gz	TWCXGQFCVFXRFM-GOSISDBHSA-N	0	0	366.396	2.624	10	30		FFEERN
COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@H]1c1nccs1	ZINC000185816932	509368908	/nfs/dbraw/zinc/36/89/08/509368908.db2.gz	FQDZIUZINMMGQH-ZDUSSCGKSA-N	0	0	363.464	2.939	10	30		FFEERN
C=C[C@H](CC(=O)N1CCCN(Cc2noc(C)n2)CC1)c1ccccc1	ZINC000179387050	509415588	/nfs/dbraw/zinc/41/55/88/509415588.db2.gz	ZYYHZAILRFYHER-QGZVFWFLSA-N	0	0	354.454	2.772	10	30		FFEERN
C[C@H]1CN(c2nccnc2C#N)CCN1C[C@H]1CCC2(CCCCC2)O1	ZINC000248793375	509486799	/nfs/dbraw/zinc/48/67/99/509486799.db2.gz	DSOLYUMHSHHUNR-DLBZAZTESA-N	0	0	355.486	2.741	10	30		FFEERN
N#Cc1ccc(-c2nnc(CN3CCN(c4cccs4)C(=O)C3)o2)cc1	ZINC000186111656	509528019	/nfs/dbraw/zinc/52/80/19/509528019.db2.gz	CBDIIZWAUDXKFW-UHFFFAOYSA-N	0	0	365.418	2.519	10	30		FFEERN
C=C[C@@H](CC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1	ZINC000179627612	509541876	/nfs/dbraw/zinc/54/18/76/509541876.db2.gz	JFROJSLFUSSXCS-FUHWJXTLSA-N	0	0	366.465	2.700	10	30		FFEERN
N#Cc1ccccc1S(=O)(=O)N1CC2(CCOCC2)c2ccccc21	ZINC000189370925	509543735	/nfs/dbraw/zinc/54/37/35/509543735.db2.gz	CFBKQXVZTHDNOH-UHFFFAOYSA-N	0	0	354.431	2.815	10	30		FFEERN
C=CC[C@@H](C(=O)N1CCN([C@H](C)c2nc(C)no2)CC1)c1ccccc1	ZINC000189401118	509557819	/nfs/dbraw/zinc/55/78/19/509557819.db2.gz	MGROPXPNGRTCKW-CRAIPNDOSA-N	0	0	354.454	2.943	10	30		FFEERN
Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)n1	ZINC000173384601	509566002	/nfs/dbraw/zinc/56/60/02/509566002.db2.gz	NVBPFKQDEFBBFF-CQSZACIVSA-N	0	0	354.435	2.668	10	30		FFEERN
Cc1ccc([C@H](CNC(=O)c2cccc(CC#N)c2)N2CCOCC2)s1	ZINC000176566638	509585899	/nfs/dbraw/zinc/58/58/99/509585899.db2.gz	ZXQCLKWBIUSDPW-SFHVURJKSA-N	0	0	369.490	2.926	10	30		FFEERN
COC(=O)[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1	ZINC000176712995	509654489	/nfs/dbraw/zinc/65/44/89/509654489.db2.gz	CGVVIMYBXYOXCD-FZKQIMNGSA-N	0	0	372.446	2.527	10	30		FFEERN
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCN(c2cccnn2)CC1	ZINC000180070751	509737091	/nfs/dbraw/zinc/73/70/91/509737091.db2.gz	WSRMBSQPBAIRMT-OAHLLOKOSA-N	0	0	366.425	2.512	10	30		FFEERN
C=C(C)[C@H](NC(=O)N1CCN(CCOC)[C@@H](C)C1)c1ccc(F)c(F)c1	ZINC000251502751	509808617	/nfs/dbraw/zinc/80/86/17/509808617.db2.gz	FNHASYHMDHNRSQ-KSSFIOAISA-N	0	0	367.440	2.944	10	30		FFEERN
CC(=O)Nc1ccc(/C=C/C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1	ZINC000183652574	509907788	/nfs/dbraw/zinc/90/77/88/509907788.db2.gz	NWKSFDOPPJAWAH-RMKNXTFCSA-N	0	0	372.388	2.749	10	30		FFEERN
COCCCN1C(=O)CSC1=Nc1cnn(Cc2ccccc2F)c1	ZINC000254865636	509912452	/nfs/dbraw/zinc/91/24/52/509912452.db2.gz	QROOGXKAWLLGMK-UHFFFAOYSA-N	0	0	362.430	2.670	10	30		FFEERN
Cc1nc(C[C@H]2CCCN(C(=O)CSCc3ccc(C#N)cc3)C2)no1	ZINC000171236906	510027084	/nfs/dbraw/zinc/02/70/84/510027084.db2.gz	NDGAHQSAKLZASR-QGZVFWFLSA-N	0	0	370.478	2.964	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C12CCOCC2	ZINC000187053409	510029574	/nfs/dbraw/zinc/02/95/74/510029574.db2.gz	ZRJJSVHSVMIHHX-LSDHHAIUSA-N	0	0	350.365	2.540	10	30		FFEERN
CNC(=O)c1ccc(/C=C/C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1	ZINC000183947222	510050597	/nfs/dbraw/zinc/05/05/97/510050597.db2.gz	YMKCFVSWMGVXMN-YVWYTEFXSA-N	0	0	359.429	2.627	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)c1	ZINC000174399594	510097084	/nfs/dbraw/zinc/09/70/84/510097084.db2.gz	ROEVZOFNTHXHRC-UHFFFAOYSA-N	0	0	371.437	2.927	10	30		FFEERN
N#Cc1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1N1CCC(O)CC1	ZINC000246001807	510244975	/nfs/dbraw/zinc/24/49/75/510244975.db2.gz	ZUWUATGHWVNRIN-DFQSSKMNSA-N	0	0	353.466	2.889	10	30		FFEERN
N#CCCn1cc(C(=O)CN2CCC[C@@H](n3cncn3)C2)c2ccccc21	ZINC000171702822	510317762	/nfs/dbraw/zinc/31/77/62/510317762.db2.gz	CMTRXIYTHWSODT-MRXNPFEDSA-N	0	0	362.437	2.666	10	30		FFEERN
CC(C)COC(=O)N1CCC(Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000184425425	510319343	/nfs/dbraw/zinc/31/93/43/510319343.db2.gz	POXSKVHHRHZZOA-UHFFFAOYSA-N	0	0	368.441	2.808	10	30		FFEERN
N#Cc1ccccc1CSCCNc1cc(N2CCC[C@@H]2CO)ncn1	ZINC000171811868	510385891	/nfs/dbraw/zinc/38/58/91/510385891.db2.gz	WSXFZKNJNZBCTO-QGZVFWFLSA-N	0	0	369.494	2.655	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCOc3ccccc32)cn1	ZINC000184614298	510418769	/nfs/dbraw/zinc/41/87/69/510418769.db2.gz	WBQQIRONBFUJDP-INIZCTEOSA-N	0	0	360.377	2.784	10	30		FFEERN
CCc1nc(C2(NC(=O)[C@@H](C)Oc3ccccc3C#N)CCCC2)no1	ZINC000175143720	510501906	/nfs/dbraw/zinc/50/19/06/510501906.db2.gz	XEISGPVRYVUSDH-CYBMUJFWSA-N	0	0	354.410	2.857	10	30		FFEERN
C=CCc1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc(OC)c1OC	ZINC000178332482	510550582	/nfs/dbraw/zinc/55/05/82/510550582.db2.gz	CVEUVXQTCDOOOC-HKUYNNGSSA-N	0	0	353.418	2.820	10	30		FFEERN
N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@H](Cn2cncn2)C1	ZINC000172171390	510581008	/nfs/dbraw/zinc/58/10/08/510581008.db2.gz	BFLCUWBPQVUGDN-LBPRGKRZSA-N	0	0	354.364	2.893	10	30		FFEERN
CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1C	ZINC000175364558	510609638	/nfs/dbraw/zinc/60/96/38/510609638.db2.gz	JXDPESNOBVCJRG-GOSISDBHSA-N	0	0	372.446	2.840	10	30		FFEERN
N#Cc1ccccc1NC(=O)CCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000246707030	510627642	/nfs/dbraw/zinc/62/76/42/510627642.db2.gz	NGIBGEQAOMMNMM-KXBFYZLASA-N	0	0	371.387	2.973	10	30		FFEERN
N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1	ZINC000185012677	510635016	/nfs/dbraw/zinc/63/50/16/510635016.db2.gz	RRJZFUWXZUIKNK-LSDHHAIUSA-N	0	0	364.858	2.870	10	30		FFEERN
CC(C)(C)OC(=O)N1CCCC[C@@]1(C)C(=O)Nc1ccn(CCC#N)n1	ZINC000182029185	510718425	/nfs/dbraw/zinc/71/84/25/510718425.db2.gz	TVKIQVXFRUVUSO-SFHVURJKSA-N	0	0	361.446	2.915	10	30		FFEERN
CC(C)(C)OC(=O)N1CCCC[C@]1(C)C(=O)Nc1ccn(CCC#N)n1	ZINC000182029162	510718998	/nfs/dbraw/zinc/71/89/98/510718998.db2.gz	TVKIQVXFRUVUSO-GOSISDBHSA-N	0	0	361.446	2.915	10	30		FFEERN
N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1	ZINC000172487630	510751211	/nfs/dbraw/zinc/75/12/11/510751211.db2.gz	HTFCXNHBZYFTEL-GOEBONIOSA-N	0	0	359.332	2.939	10	30		FFEERN
Cc1nccn1C[C@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000178746928	510752971	/nfs/dbraw/zinc/75/29/71/510752971.db2.gz	OMXUTWFRKTYXSP-MRXNPFEDSA-N	0	0	357.845	2.820	10	30		FFEERN
CCn1cc([C@@H]2CN(C(=O)c3cccc(SCC#N)c3)CCO2)cn1	ZINC000191709434	510797336	/nfs/dbraw/zinc/79/73/36/510797336.db2.gz	FTONIMBLYURBJG-KRWDZBQOSA-N	0	0	356.451	2.732	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C)C1	ZINC000172676606	510842684	/nfs/dbraw/zinc/84/26/84/510842684.db2.gz	YLKOEPJFLLMZAK-MRXNPFEDSA-N	0	0	358.467	2.651	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000330062907	510910381	/nfs/dbraw/zinc/91/03/81/510910381.db2.gz	BEOWVPRIRRNVLB-HBUWYVDXSA-N	0	0	371.485	2.963	10	30		FFEERN
O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)[C@H]1CCO[C@@H]1c1cccnc1	ZINC000330100009	510915125	/nfs/dbraw/zinc/91/51/25/510915125.db2.gz	HQSBIPXXTXGJAJ-RCCFBDPRSA-N	0	0	366.421	2.706	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)NC2(C)CCCCC2)CC(=O)N1C	ZINC000330177905	510930972	/nfs/dbraw/zinc/93/09/72/510930972.db2.gz	LCJGWYFJPGCIPE-RHSMWYFYSA-N	0	0	361.490	2.535	10	30		FFEERN
CN(Cc1ncnn1CC(F)F)C(=O)NC1C2CC3CC(C2)CC1C3	ZINC000330221217	510939761	/nfs/dbraw/zinc/93/97/61/510939761.db2.gz	LMLPZDWJJPOBCC-UHFFFAOYSA-N	0	0	353.417	2.714	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(c2ccccc2)C1	ZINC000330224360	510941437	/nfs/dbraw/zinc/94/14/37/510941437.db2.gz	STPRTFFICIHPAT-SZVBFZGTSA-N	0	0	354.454	2.981	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)c2nnc3n2CCCC3)cn1	ZINC000330339359	510970099	/nfs/dbraw/zinc/97/00/99/510970099.db2.gz	WOOVTIKFGVIGBF-DUVNUKRYSA-N	0	0	358.446	2.626	10	30		FFEERN
Cn1cc(C(=O)Nc2ccc(N3CCCCC3)cn2)c([C@@H]2CCOC2)n1	ZINC000330351236	510971123	/nfs/dbraw/zinc/97/11/23/510971123.db2.gz	MAAZJMRPURJHFA-CQSZACIVSA-N	0	0	355.442	2.946	10	30		FFEERN
CCc1noc([C@H](C)N2CCN(c3cc(C#N)ccc3C(C)=O)CC2)n1	ZINC000302090985	511706041	/nfs/dbraw/zinc/70/60/41/511706041.db2.gz	GWGUAOWLTIIEMX-ZDUSSCGKSA-N	0	0	353.426	2.589	10	30		FFEERN
CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)c1cc(F)cc3n[nH]nc31)C2	ZINC000328645747	511906578	/nfs/dbraw/zinc/90/65/78/511906578.db2.gz	GNZGIFBWVKKASF-LLVKDONJSA-N	0	0	356.405	2.911	10	30		FFEERN
C[C@@H](C(=O)N1CCC(C)CC1)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000328661997	511910543	/nfs/dbraw/zinc/91/05/43/511910543.db2.gz	AOBRETQRBLBUHK-GCKMJXCFSA-N	0	0	366.465	2.628	10	30		FFEERN
Cc1nc(CC(C)C)c(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)s1	ZINC000328989334	511962604	/nfs/dbraw/zinc/96/26/04/511962604.db2.gz	CRHGSNFUVPZQPH-LSDHHAIUSA-N	0	0	352.504	2.600	10	30		FFEERN
Cc1nc(CC(C)C)c(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)s1	ZINC000328989331	511962616	/nfs/dbraw/zinc/96/26/16/511962616.db2.gz	CRHGSNFUVPZQPH-CABCVRRESA-N	0	0	352.504	2.600	10	30		FFEERN
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](O)C1CCOCC1	ZINC000328994654	511963693	/nfs/dbraw/zinc/96/36/93/511963693.db2.gz	FANSPODFZXNEAK-KBAYOESNSA-N	0	0	365.474	2.676	10	30		FFEERN
C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C(=O)N1c1ccccc1	ZINC000328996285	511964211	/nfs/dbraw/zinc/96/42/11/511964211.db2.gz	FNCUXEUDMGHNQG-MXASKKJJSA-N	0	0	368.437	2.648	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2CCc3ccccc32)CC(=O)N1C1CC1	ZINC000329000612	511965823	/nfs/dbraw/zinc/96/58/23/511965823.db2.gz	HMHVARPODRZNMW-SQGPQFPESA-N	0	0	364.449	2.911	10	30		FFEERN
CC(C)c1noc([C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C2CCOCC2)n1	ZINC000329067072	511976290	/nfs/dbraw/zinc/97/62/90/511976290.db2.gz	WVEONODOTVXTRD-IUODEOHRSA-N	0	0	374.445	2.540	10	30		FFEERN
CC[C@@H]1CCc2nc(NC(=O)N3CC[C@H]4OCCN(C)[C@H]4C3)sc2C1	ZINC000329123417	511986794	/nfs/dbraw/zinc/98/67/94/511986794.db2.gz	LKVDEQWWZYHZGG-VHDGCEQUSA-N	0	0	364.515	2.608	10	30		FFEERN
C[C@@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1cccc2ccccc21	ZINC000329192814	512003058	/nfs/dbraw/zinc/00/30/58/512003058.db2.gz	SFTMQYGOSHYNNE-SIXWZSSISA-N	0	0	372.490	2.976	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2C[C@H](C)C[C@@H](C)C2)on1	ZINC000329254639	512015522	/nfs/dbraw/zinc/01/55/22/512015522.db2.gz	WZNZYYXNYKKXIA-VDERGJSUSA-N	0	0	352.454	2.787	10	30		FFEERN
C[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1cccc(-n2cccn2)c1	ZINC000329354632	512031821	/nfs/dbraw/zinc/03/18/21/512031821.db2.gz	YNBJHVDZAVQOLB-KBRIMQKVSA-N	0	0	353.426	2.898	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@@H](C)c3cccnc3)C2)nn1	ZINC000329584874	512073947	/nfs/dbraw/zinc/07/39/47/512073947.db2.gz	MABAMCXVFDSAJM-RDJZCZTQSA-N	0	0	354.458	2.756	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N3CCn4cccc4[C@H]3C)C2)nn1	ZINC000329598833	512075645	/nfs/dbraw/zinc/07/56/45/512075645.db2.gz	PTOBFRPFSWKFQK-CVEARBPZSA-N	0	0	354.458	2.546	10	30		FFEERN
O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)N1CCc2cncnc2C1	ZINC000329645183	512081261	/nfs/dbraw/zinc/08/12/61/512081261.db2.gz	JHWKTMOCLHHINF-INIZCTEOSA-N	0	0	355.417	2.557	10	30		FFEERN
CNC(=O)[C@@H]1CCCN(C(=O)CC[C@@H]2CN(C(C)=O)c3ccccc32)C1	ZINC000329644292	512081677	/nfs/dbraw/zinc/08/16/77/512081677.db2.gz	ZAPMTORNTZSIOX-HZPDHXFCSA-N	0	0	357.454	2.742	10	30		FFEERN
CC(C)c1nnc([C@@H]2CN(C(=O)NCC3C[C@@H](C)O[C@H](C)C3)CCO2)o1	ZINC000329799029	512098616	/nfs/dbraw/zinc/09/86/16/512098616.db2.gz	GYSDUSJKQRBDQD-NFAWXSAZSA-N	0	0	366.462	2.684	10	30		FFEERN
C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(Br)cn1	ZINC000329807726	512099829	/nfs/dbraw/zinc/09/98/29/512099829.db2.gz	BLEWAXSVPAGVFN-UFGOTCBOSA-N	0	0	367.247	2.870	10	30		FFEERN
CC(C)c1noc([C@@]23CCC[C@@H]2CN(C(=O)c2cc(C#N)cn2C)C3)n1	ZINC000370166832	512799566	/nfs/dbraw/zinc/79/95/66/512799566.db2.gz	ZIGLDAFAZBPBOX-AUUYWEPGSA-N	0	0	353.426	2.597	10	30		FFEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O	ZINC000407958497	512975486	/nfs/dbraw/zinc/97/54/86/512975486.db2.gz	QRIYDRUCNJQGGL-OAGGEKHMSA-N	0	0	360.458	2.508	10	30		FFEERN
Cc1c(C(=O)N[C@@H]2CCC[C@H]2C#N)sc2nc3n(c(=O)c12)CCCCC3	ZINC000408331988	513045991	/nfs/dbraw/zinc/04/59/91/513045991.db2.gz	TXTPYXYZGOKDTI-QWHCGFSZSA-N	0	0	370.478	2.915	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1	ZINC000408334947	513046334	/nfs/dbraw/zinc/04/63/34/513046334.db2.gz	ROJNORWETBOVOA-GOEBONIOSA-N	0	0	350.422	2.545	10	30		FFEERN
CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cc(C#N)ccc2F)C1	ZINC000548011108	516695763	/nfs/dbraw/zinc/69/57/63/516695763.db2.gz	WAMMJWIKRCDZLR-GOSISDBHSA-N	0	0	358.442	2.700	10	30		FFEERN
N#CCC(=O)[C@@H]1CCCN(c2ccc(I)cc2)C1=O	ZINC000536950269	516989795	/nfs/dbraw/zinc/98/97/95/516989795.db2.gz	IENZTTHYYIWNDY-LBPRGKRZSA-N	0	0	368.174	2.517	10	30		FFEERN
CCOC(=O)c1cc(I)cc(OC(F)F)c1C#N	ZINC000575386544	518208581	/nfs/dbraw/zinc/20/85/81/518208581.db2.gz	XUCVBZIXNHKFMN-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
N#CCc1c(I)cc([N+](=O)[O-])cc1OC(F)F	ZINC000575668610	518245629	/nfs/dbraw/zinc/24/56/29/518245629.db2.gz	XJQKFSBDTGAIOK-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
CS(=O)(=O)OCCOCCc1ccc(OCc2ccccc2)cc1	ZINC000584603124	518413436	/nfs/dbraw/zinc/41/34/36/518413436.db2.gz	NJGWDQGHWNPLGF-UHFFFAOYSA-N	0	0	350.436	2.801	10	30		FFEERN
CCn1cc([C@@H]2OCCC[C@H]2C(=O)NCc2ccc(C#N)c(F)c2)cn1	ZINC000591221988	519552680	/nfs/dbraw/zinc/55/26/80/519552680.db2.gz	PMXPPUAPWYMDTM-AEFFLSMTSA-N	0	0	356.401	2.698	10	30		FFEERN
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CC[C@H](C)O2)nc1C	ZINC000153511550	728781755	/nfs/dbraw/zinc/78/17/55/728781755.db2.gz	BBMXKOKCTOWFSJ-WCBMZHEXSA-N	0	0	365.484	2.691	10	30		FFEERN
C=C(Br)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1	ZINC000171801065	729013641	/nfs/dbraw/zinc/01/36/41/729013641.db2.gz	KSTVJALZEGEPGF-HIFRSBDPSA-N	0	0	351.244	2.621	10	30		FFEERN
C=CCNc1ncc(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)s1	ZINC000178539092	729163989	/nfs/dbraw/zinc/16/39/89/729163989.db2.gz	TYFOKZCBOQDWEH-LLVKDONJSA-N	0	0	354.476	2.774	10	30		FFEERN
CCCCCCCS(=O)(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1	ZINC000195247482	729533734	/nfs/dbraw/zinc/53/37/34/729533734.db2.gz	SJSRGDLDKVSEQH-OAHLLOKOSA-N	0	0	372.535	2.611	10	30		FFEERN
C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCC(C(=O)Nc2nncs2)CC1	ZINC000328790554	729795147	/nfs/dbraw/zinc/79/51/47/729795147.db2.gz	YVGFFLYGAMUJIN-YPMHNXCESA-N	0	0	367.475	2.710	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1	ZINC000329631332	729798235	/nfs/dbraw/zinc/79/82/35/729798235.db2.gz	WLQXPYLFZKVBQE-LLLHUVSDSA-N	0	0	351.468	2.852	10	30		FFEERN
CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000588499252	845970440	/nfs/dbraw/zinc/97/04/40/845970440.db2.gz	SQMKQTPCEVSREZ-OQSOEKIESA-N	0	0	363.483	2.730	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1CCOc2ccccc21	ZINC000329157877	967528110	/nfs/dbraw/zinc/52/81/10/967528110.db2.gz	WOSLVJVQEUBDGC-SJORKVTESA-N	0	0	370.453	2.848	10	30		FFEERN
CCC1CCC(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1	ZINC000329228039	967567904	/nfs/dbraw/zinc/56/79/04/967567904.db2.gz	ILQKVXOGXQGPGR-DAWZGUTISA-N	0	0	365.518	2.625	10	30		FFEERN
Cc1cnc([C@H](C)NC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)o1	ZINC000329464652	967732376	/nfs/dbraw/zinc/73/23/76/967732376.db2.gz	VDEPAPZHVVPBRY-GXTWGEPZSA-N	0	0	371.393	2.825	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCO[C@@H](c3ccccc3)C1)CC2	ZINC000329467349	967734542	/nfs/dbraw/zinc/73/45/42/967734542.db2.gz	WCQSEHDDSSHYCM-IAGOWNOFSA-N	0	0	369.469	2.704	10	30		FFEERN
C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2C[C@H]2c2cccc(OC)c2)c1	ZINC000106637646	976264447	/nfs/dbraw/zinc/26/44/47/976264447.db2.gz	GMSZTASGUMVDOO-PMACEKPBSA-N	0	0	362.429	2.559	10	30		FFEERN
N#Cc1ccsc1NC(=O)CC[N@@H+](CCC(=O)[O-])Cc1ccccc1	ZINC000692503048	976514380	/nfs/dbraw/zinc/51/43/80/976514380.db2.gz	SUSJNWZXDCVEFN-UHFFFAOYSA-N	0	0	357.435	2.925	10	30		FFEERN
C#CCN(Cc1ccc(F)cc1)C(=O)NCCCNC(=O)OC(C)(C)C	ZINC000103517576	1003072983	/nfs/dbraw/zinc/07/29/83/1003072983.db2.gz	DZHJZUUKOPFEHS-UHFFFAOYSA-N	0	0	363.433	2.885	10	30		FFEERN
C#CCN(C(=O)c1cn(CC(C)C)c2ccccc12)[C@@H]1CCS(=O)(=O)C1	ZINC000104311090	1004530504	/nfs/dbraw/zinc/53/05/04/1004530504.db2.gz	BGTADYNTUAHQGA-MRXNPFEDSA-N	0	0	372.490	2.560	10	30		FFEERN
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)cc1	ZINC000108605294	1005691549	/nfs/dbraw/zinc/69/15/49/1005691549.db2.gz	GOEFIICGAJEYEN-ZDUSSCGKSA-N	0	0	370.380	2.662	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCC[C@@H](NC(=O)CCC)C2)cc1OC	ZINC000110162452	203856394	/nfs/dbraw/zinc/85/63/94/203856394.db2.gz	BYWXSVJFKLEEEE-MRXNPFEDSA-N	0	0	360.454	2.781	10	30		FFEERN
N#CCN(CC#N)c1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-]	ZINC000040617965	205075154	/nfs/dbraw/zinc/07/51/54/205075154.db2.gz	TYNBSSQEDGZYNT-UHFFFAOYSA-N	0	0	357.761	2.504	10	30		FFEERN
COC(=O)C1C(C)=Nc2c(C#N)c(OC)nc(N)c2[C@@H]1c1ccc(F)cc1	ZINC000096336743	205874535	/nfs/dbraw/zinc/87/45/35/205874535.db2.gz	ACSCOHDYWDYPQM-CQSZACIVSA-N	0	0	368.368	2.688	10	30		FFEERN
N#CCc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)cc1	ZINC000105536580	206006744	/nfs/dbraw/zinc/00/67/44/206006744.db2.gz	LFTFEPDLJLKTGI-QGZVFWFLSA-N	0	0	351.431	2.906	10	30		FFEERN
CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2)C12CCCC2	ZINC000119084533	250430628	/nfs/dbraw/zinc/43/06/28/250430628.db2.gz	BXNKUPHRLDSOIR-SJORKVTESA-N	0	0	355.438	2.693	10	30		FFEERN
N#Cc1cc(N2CCCN(C(=O)c3ccncc3)CC2)c2ccccc2n1	ZINC000301338660	258043362	/nfs/dbraw/zinc/04/33/62/258043362.db2.gz	DQXYOGNCMFPLKG-UHFFFAOYSA-N	0	0	357.417	2.854	10	30		FFEERN
Cc1cc(C)c2ncc(C#N)c(NCCNc3cc(C)nc4ncnn43)c2c1	ZINC000301530915	258054314	/nfs/dbraw/zinc/05/43/14/258054314.db2.gz	JUMAKOYLOZXCFP-UHFFFAOYSA-N	0	0	372.436	2.993	10	30		FFEERN
N#Cc1c(N)sc2c1CCN(c1ncccc1C(=O)N1CCCCC1)C2	ZINC000301569412	258056306	/nfs/dbraw/zinc/05/63/06/258056306.db2.gz	ZXFNIXALUJWNLY-UHFFFAOYSA-N	0	0	367.478	2.786	10	30		FFEERN
Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@H](C)[C@H](N2CCOCC2)C1	ZINC000301577727	258056707	/nfs/dbraw/zinc/05/67/07/258056707.db2.gz	OHUQIPKUKARXNN-KBXCAEBGSA-N	0	0	354.429	2.711	10	30		FFEERN
N#Cc1ccc(N2CCN(C(=O)c3ccoc3)CC2)c(Br)c1	ZINC000301896600	258073468	/nfs/dbraw/zinc/07/34/68/258073468.db2.gz	ZJGKNOHDESVADT-UHFFFAOYSA-N	0	0	360.211	2.876	10	30		FFEERN
N#Cc1ccccc1N1CCN(C(=O)[C@H]2C[C@]23CCOc2ccccc23)CC1	ZINC000329643444	258143880	/nfs/dbraw/zinc/14/38/80/258143880.db2.gz	DBUAENGCWZEDMB-XXBNENTESA-N	0	0	373.456	2.947	10	30		FFEERN
COc1ccc(CN=Nc2nnc3c4ccccc4n(C)c3n2)cc1OC	ZINC000005331211	263340276	/nfs/dbraw/zinc/34/02/76/263340276.db2.gz	WCNNNEOFLXTMGG-RGVLZGJSSA-N	0	0	362.393	2.980	10	30		FFEERN
COC(=O)c1c(C#N)ccc(C(F)(F)F)c1I	ZINC000575392645	518209349	/nfs/dbraw/zinc/20/93/49/518209349.db2.gz	JZFIWQRVVPKXNT-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
COC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1I	ZINC000575392666	518209434	/nfs/dbraw/zinc/20/94/34/518209434.db2.gz	LOFRWPJEEBJGOA-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1C#N	ZINC000003504118	506337625	/nfs/dbraw/zinc/33/76/25/506337625.db2.gz	VWUKDDIQPHVJFX-GFCCVEGCSA-N	0	0	350.407	2.653	10	30		FFEERN
N#CC1CCN(C(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1	ZINC000061584926	507623626	/nfs/dbraw/zinc/62/36/26/507623626.db2.gz	OXUOKPWGKOIXME-RQJZOYDLSA-N	0	0	369.509	2.956	10	30		FFEERN
C=CCOc1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000029861368	507793628	/nfs/dbraw/zinc/79/36/28/507793628.db2.gz	XBTAIQXTAKTNJZ-MRXNPFEDSA-N	0	0	357.431	2.900	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2n2cccn2)ccc1Cl	ZINC000072720921	507847413	/nfs/dbraw/zinc/84/74/13/507847413.db2.gz	OZHYIINJPIRLIG-HZPDHXFCSA-N	0	0	364.858	2.870	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](OCCC)CC3)cc2C1=O	ZINC000108226746	507881823	/nfs/dbraw/zinc/88/18/23/507881823.db2.gz	NCRNBYGJOYDXAV-INIZCTEOSA-N	0	0	370.449	2.890	10	30		FFEERN
N#C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C1CC1	ZINC000108830127	507920895	/nfs/dbraw/zinc/92/08/95/507920895.db2.gz	ADVGCQLCODTOJA-KRWDZBQOSA-N	0	0	355.419	2.519	10	30		FFEERN
N#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C1CC1	ZINC000108832178	507921271	/nfs/dbraw/zinc/92/12/71/507921271.db2.gz	GCKMXAMFPNHECE-KRWDZBQOSA-N	0	0	373.409	2.658	10	30		FFEERN
N#CCCN(C(=O)CCC(=O)N[C@H]1COc2ccccc21)c1ccccc1	ZINC000108891972	507923557	/nfs/dbraw/zinc/92/35/57/507923557.db2.gz	ZBCDKDSGAVFFDC-SFHVURJKSA-N	0	0	363.417	2.963	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2CCC(NC(=O)CC3CCCC3)CC2)cc1	ZINC000109006125	507931436	/nfs/dbraw/zinc/93/14/36/507931436.db2.gz	FKZSPBYFMYMLHY-UHFFFAOYSA-N	0	0	368.481	2.658	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(C)C)cc1	ZINC000103326790	508308229	/nfs/dbraw/zinc/30/82/29/508308229.db2.gz	SMIIFZQYUYEYSI-ZWKOTPCHSA-N	0	0	371.481	2.872	10	30		FFEERN
C[C@@H](C#N)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl	ZINC000104332675	508332115	/nfs/dbraw/zinc/33/21/15/508332115.db2.gz	YCVPRLOGPUXDTM-UGSOOPFHSA-N	0	0	367.836	2.935	10	30		FFEERN
C=CCN(C)S(=O)(=O)c1ccc(NCc2nc(-c3ccoc3)no2)cc1	ZINC000105606792	508378271	/nfs/dbraw/zinc/37/82/71/508378271.db2.gz	OJPQCRBCKORYQS-UHFFFAOYSA-N	0	0	374.422	2.748	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000106211418	508397956	/nfs/dbraw/zinc/39/79/56/508397956.db2.gz	MDBXIKLRIFKUMR-QGZVFWFLSA-N	0	0	357.502	2.859	10	30		FFEERN
C#CCCCCNC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12	ZINC000156451451	508422406	/nfs/dbraw/zinc/42/24/06/508422406.db2.gz	SKOMSDHIXPAOME-QGZVFWFLSA-N	0	0	355.463	2.603	10	30		FFEERN
N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H](Cn3cncn3)C2)c1	ZINC000127383827	508442600	/nfs/dbraw/zinc/44/26/00/508442600.db2.gz	JCALKAQBXAVXDG-GOSISDBHSA-N	0	0	367.453	2.638	10	30		FFEERN
Cn1cc([C@H]2CCN(CC(=O)c3cn(CCC#N)c4ccccc34)C2)cn1	ZINC000116310822	508497010	/nfs/dbraw/zinc/49/70/10/508497010.db2.gz	JYKWPHJPPXWJAV-INIZCTEOSA-N	0	0	361.449	2.961	10	30		FFEERN
Cn1cc([C@@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C2)cn1	ZINC000116497817	508521597	/nfs/dbraw/zinc/52/15/97/508521597.db2.gz	MTDKQQYKVIWEIC-GFCCVEGCSA-N	0	0	361.352	2.915	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Nc3ccc(CC#N)cc3)C2)n1	ZINC000116998901	508575162	/nfs/dbraw/zinc/57/51/62/508575162.db2.gz	CLPDLAKGQWYQBK-QGZVFWFLSA-N	0	0	352.442	2.905	10	30		FFEERN
Cc1ccc(N2CCC(NC(=O)Cc3ccc(OCC#N)cc3)CC2)nc1	ZINC000157776710	508610549	/nfs/dbraw/zinc/61/05/49/508610549.db2.gz	YBZUMFJOXUJFNK-UHFFFAOYSA-N	0	0	364.449	2.620	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1	ZINC000123362402	508675434	/nfs/dbraw/zinc/67/54/34/508675434.db2.gz	SGECBGJCAUMUGB-IIBYNOLFSA-N	0	0	372.465	2.734	10	30		FFEERN
Cc1ccc([C@H]2CN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CCO2)o1	ZINC000158661492	508736087	/nfs/dbraw/zinc/73/60/87/508736087.db2.gz	QYOYNTLWRILJTL-IEBWSBKVSA-N	0	0	351.406	2.639	10	30		FFEERN
CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000150860788	508909707	/nfs/dbraw/zinc/90/97/07/508909707.db2.gz	OEAOKUYPSILRSO-OAHLLOKOSA-N	0	0	354.389	2.620	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(Cc3ccc(F)c(C#N)c3)CC2)cn1	ZINC000120067330	508920368	/nfs/dbraw/zinc/92/03/68/508920368.db2.gz	ULSFALLPVCLVKX-UHFFFAOYSA-N	0	0	355.461	2.967	10	30		FFEERN
C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1	ZINC000132283310	509009848	/nfs/dbraw/zinc/00/98/48/509009848.db2.gz	KXWLTCKLCMQSOY-STQMWFEESA-N	0	0	356.455	2.809	10	30		FFEERN
CC1(C)CCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000132935406	509093278	/nfs/dbraw/zinc/09/32/78/509093278.db2.gz	VPYOMLFCZASURN-QGZVFWFLSA-N	0	0	365.437	2.565	10	30		FFEERN
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161284993	509096772	/nfs/dbraw/zinc/09/67/72/509096772.db2.gz	HJAIMTWCPQYYNW-NSHDSACASA-N	0	0	351.863	2.706	10	30		FFEERN
Cn1nccc1C1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000195503441	509197344	/nfs/dbraw/zinc/19/73/44/509197344.db2.gz	ZLYGPSHGKUAULN-UHFFFAOYSA-N	0	0	357.845	2.763	10	30		FFEERN
COC(=O)N[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)C(C)C	ZINC000162400895	509216023	/nfs/dbraw/zinc/21/60/23/509216023.db2.gz	MNASJJUSMYOYCO-QWHCGFSZSA-N	0	0	368.231	2.511	10	30		FFEERN
CC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1cccc([N+](=O)[O-])c1	ZINC000176011669	509272521	/nfs/dbraw/zinc/27/25/21/509272521.db2.gz	QHTFTHOHEMYYBF-HNNXBMFYSA-N	0	0	370.340	2.812	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N1CCO[C@H](c2cnn(CC)c2)C1	ZINC000188825848	509282693	/nfs/dbraw/zinc/28/26/93/509282693.db2.gz	JSRLHNGHAUSJDU-IBGZPJMESA-N	0	0	370.453	2.751	10	30		FFEERN
Cc1cnn(CCNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1	ZINC000176087146	509315997	/nfs/dbraw/zinc/31/59/97/509315997.db2.gz	YTOQCFZZSZPYAB-UHFFFAOYSA-N	0	0	350.344	2.561	10	30		FFEERN
C[C@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000172977217	509332167	/nfs/dbraw/zinc/33/21/67/509332167.db2.gz	QGPFJFINLPHPDY-CYBMUJFWSA-N	0	0	371.824	2.872	10	30		FFEERN
N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(Cn4cccn4)CC3)C2=O)cc1	ZINC000182757523	509413247	/nfs/dbraw/zinc/41/32/47/509413247.db2.gz	WULVXYNLNVGAFQ-HXUWFJFHSA-N	0	0	363.465	2.662	10	30		FFEERN
CCO[C@H]1C[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C12CCOCC2	ZINC000185952916	509445878	/nfs/dbraw/zinc/44/58/78/509445878.db2.gz	OBKKPSXFGISZSF-MSOLQXFVSA-N	0	0	357.454	2.674	10	30		FFEERN
C=CC[C@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1ccccc1	ZINC000189229523	509472120	/nfs/dbraw/zinc/47/21/20/509472120.db2.gz	ROGQMZSWRMHZAS-FQEVSTJZSA-N	0	0	352.482	2.814	10	30		FFEERN
C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(-n2cncn2)cc1	ZINC000186015793	509480753	/nfs/dbraw/zinc/48/07/53/509480753.db2.gz	PALNRKATZZJJTO-CQSZACIVSA-N	0	0	356.393	2.893	10	30		FFEERN
CC(C)(C)OC(=O)N1CCC(Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000186023215	509485333	/nfs/dbraw/zinc/48/53/33/509485333.db2.gz	XTRYNDPAZAWJAC-UHFFFAOYSA-N	0	0	368.441	2.950	10	30		FFEERN
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H]1c1cnn(C)c1	ZINC000173312467	509525262	/nfs/dbraw/zinc/52/52/62/509525262.db2.gz	LDWHTUNHTRQHTH-URTYCYGZSA-N	0	0	357.502	2.876	10	30		FFEERN
C=CCCO[C@H](C)C(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1	ZINC000176555402	509581696	/nfs/dbraw/zinc/58/16/96/509581696.db2.gz	FSTOKJDOYUHTAH-HZPDHXFCSA-N	0	0	352.500	2.527	10	30		FFEERN
COC(=O)[C@@]1(C)CCCN1CC(=O)c1cn(CCC#N)c2ccccc12	ZINC000186374492	509677119	/nfs/dbraw/zinc/67/71/19/509677119.db2.gz	GDWBTCGXVJATKX-HXUWFJFHSA-N	0	0	353.422	2.765	10	30		FFEERN
C=CC[C@@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1)c1ccccc1	ZINC000249577575	509715658	/nfs/dbraw/zinc/71/56/58/509715658.db2.gz	PWONVFIAQPVZPT-ZWKOTPCHSA-N	0	0	365.481	2.963	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@@H](c2nccs2)C1	ZINC000173785732	509778045	/nfs/dbraw/zinc/77/80/45/509778045.db2.gz	YOCCDEYHEMJVOP-OAHLLOKOSA-N	0	0	361.398	2.900	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)no1	ZINC000186616865	509804200	/nfs/dbraw/zinc/80/42/00/509804200.db2.gz	HYPVWYWQFJDQIC-INIZCTEOSA-N	0	0	350.422	2.763	10	30		FFEERN
C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1cccc(-n2ccnc2)c1	ZINC000173965560	509878650	/nfs/dbraw/zinc/87/86/50/509878650.db2.gz	NYKDFBFTBZRPRH-CYBMUJFWSA-N	0	0	370.409	2.923	10	30		FFEERN
N#Cc1nn(-c2ccc(Cl)cc2)nc1N(CCO)Cc1ccccc1	ZINC000256048545	509942989	/nfs/dbraw/zinc/94/29/89/509942989.db2.gz	UHUWEBODMMLHMV-UHFFFAOYSA-N	0	0	353.813	2.791	10	30		FFEERN
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	ZINC000171108570	509949882	/nfs/dbraw/zinc/94/98/82/509949882.db2.gz	LXXVZRQCDMVGFO-KBPBESRZSA-N	0	0	353.344	2.525	10	30		FFEERN
C=CCOc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1	ZINC000190134826	509957989	/nfs/dbraw/zinc/95/79/89/509957989.db2.gz	DQIQZWBUSVPCOC-QGZVFWFLSA-N	0	0	354.410	2.667	10	30		FFEERN
CCO[C@H]1C[C@@H](NC(=O)CSCc2ccc(C#N)cc2)C12CCOCC2	ZINC000187085673	510047357	/nfs/dbraw/zinc/04/73/57/510047357.db2.gz	WFSFPEYNNNWJSQ-MSOLQXFVSA-N	0	0	374.506	2.882	10	30		FFEERN
N#Cc1ccc(SCC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1	ZINC000171274921	510049012	/nfs/dbraw/zinc/04/90/12/510049012.db2.gz	ATSGEVIJVBRWPE-INIZCTEOSA-N	0	0	372.471	2.685	10	30		FFEERN
CCO[C@H]1C[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C12CCOCC2	ZINC000187094511	510052459	/nfs/dbraw/zinc/05/24/59/510052459.db2.gz	SNGDNGORVGSZBN-ROUUACIJSA-N	0	0	372.465	2.806	10	30		FFEERN
CCO[C@H]1C[C@H](NC(=O)CSc2ccc(C#N)cc2)C12CCOCC2	ZINC000187141122	510083024	/nfs/dbraw/zinc/08/30/24/510083024.db2.gz	UEWQJLWPDCPCNX-IRXDYDNUSA-N	0	0	360.479	2.741	10	30		FFEERN
C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000177586048	510147513	/nfs/dbraw/zinc/14/75/13/510147513.db2.gz	LVVPVQGACIFFFY-JTQLQIEISA-N	0	0	358.847	2.562	10	30		FFEERN
CC(C)c1nc(C2(NS(=O)(=O)c3cccc(C#N)c3)CCCC2)no1	ZINC000177610049	510160380	/nfs/dbraw/zinc/16/03/80/510160380.db2.gz	PVVGNUGVBPPWCH-UHFFFAOYSA-N	0	0	360.439	2.812	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1	ZINC000177667855	510191004	/nfs/dbraw/zinc/19/10/04/510191004.db2.gz	NHVIYAIIRSWKGS-OAHLLOKOSA-N	0	0	371.828	2.519	10	30		FFEERN
C=CCCO[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000190555376	510203770	/nfs/dbraw/zinc/20/37/70/510203770.db2.gz	KRVITEUYVSTOQZ-CVEARBPZSA-N	0	0	351.516	2.713	10	30		FFEERN
Cc1oc(NC(=O)CN2CCC[C@H]2C[C@@H](O)c2ccco2)c(C#N)c1C	ZINC000245941613	510219543	/nfs/dbraw/zinc/21/95/43/510219543.db2.gz	MNLZSFLYMBRGGY-GOEBONIOSA-N	0	0	357.410	2.888	10	30		FFEERN
C[C@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCS1	ZINC000171693971	510311987	/nfs/dbraw/zinc/31/19/87/510311987.db2.gz	HPLRDRJEJNFHLN-ZDUSSCGKSA-N	0	0	356.413	2.610	10	30		FFEERN
C=C[C@@](C)(CCOC)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000188058244	510571181	/nfs/dbraw/zinc/57/11/81/510571181.db2.gz	GFXSXZPXPDGPHQ-FQEVSTJZSA-N	0	0	350.503	2.856	10	30		FFEERN
CC[C@H](C#N)NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1	ZINC000188104120	510596279	/nfs/dbraw/zinc/59/62/79/510596279.db2.gz	ZGXSGKYNSXMCAX-ZIAGYGMSSA-N	0	0	372.874	2.868	10	30		FFEERN
CCOCCN1CCN(C(=O)Nc2cc(C#N)ccc2OCC)C[C@H]1C	ZINC000172314641	510662494	/nfs/dbraw/zinc/66/24/94/510662494.db2.gz	VZFMCFHFSZCECO-OAHLLOKOSA-N	0	0	360.458	2.531	10	30		FFEERN
N#CCSc1ccccc1NC(=O)CN1CC[C@]2(O)CCCC[C@H]2C1	ZINC000246919670	510745341	/nfs/dbraw/zinc/74/53/41/510745341.db2.gz	MXNQCYZJEDWAMP-HNAYVOBHSA-N	0	0	359.495	2.868	10	30		FFEERN
C[C@@H](NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)[C@H]1CCCO1	ZINC000175851723	510823355	/nfs/dbraw/zinc/82/33/55/510823355.db2.gz	APVSGUFKEQLFEG-OXQOHEQNSA-N	0	0	362.429	2.709	10	30		FFEERN
N#CCOc1ccc(CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1	ZINC000247066987	510824450	/nfs/dbraw/zinc/82/44/50/510824450.db2.gz	VPQUXOXZZNBMBP-KZNAEPCWSA-N	0	0	355.438	2.736	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000172678945	510843265	/nfs/dbraw/zinc/84/32/65/510843265.db2.gz	SIONXPPSDWEQLS-OAHLLOKOSA-N	0	0	355.419	2.907	10	30		FFEERN
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@@H]1C1CCCCC1	ZINC000247485073	510862661	/nfs/dbraw/zinc/86/26/61/510862661.db2.gz	WLEGUIJCCJZXMX-OIISXLGYSA-N	0	0	353.470	2.602	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](n2cncn2)C1	ZINC000247585181	510866663	/nfs/dbraw/zinc/86/66/63/510866663.db2.gz	IYQMAGDECANYCM-HZPDHXFCSA-N	0	0	359.499	2.580	10	30		FFEERN
CC[C@@H]1CN(CC(=O)Nc2nc3c(s2)CCCC3)C[C@]2(CCOC2)O1	ZINC000330070450	510910233	/nfs/dbraw/zinc/91/02/33/510910233.db2.gz	IDQMYNRRQHVFCL-ACJLOTCBSA-N	0	0	365.499	2.880	10	30		FFEERN
C[C@H](COCc1ccccc1)NC(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1	ZINC000330137300	510923543	/nfs/dbraw/zinc/92/35/43/510923543.db2.gz	UVGIRYQVRLMCRD-UWVAXJGDSA-N	0	0	362.470	2.776	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)NC2CCCCCC2)CC(=O)N1C	ZINC000330186406	510932354	/nfs/dbraw/zinc/93/23/54/510932354.db2.gz	SARBCWZPKZTIRM-CRAIPNDOSA-N	0	0	361.490	2.535	10	30		FFEERN
CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cnc3c(c2)CCCC3)C1	ZINC000330194837	510935034	/nfs/dbraw/zinc/93/50/34/510935034.db2.gz	BHXRMPQIAJXJHR-HOCLYGCPSA-N	0	0	357.414	2.659	10	30		FFEERN
N#Cc1ccc(I)c(I)c1F	ZINC000306763082	511764318	/nfs/dbraw/zinc/76/43/18/511764318.db2.gz	FQUPZCXNZGJNFB-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
CC(C)n1cc([C@]2(O)CCCN(Cc3ccc(Cl)cc3C#N)C2)nn1	ZINC000284749517	511852179	/nfs/dbraw/zinc/85/21/79/511852179.db2.gz	XKYXZBKMYVVISM-SFHVURJKSA-N	0	0	359.861	2.868	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCc3ccccc3[C@H]1CO)CCC2	ZINC000328652009	511907782	/nfs/dbraw/zinc/90/77/82/511907782.db2.gz	BSBSPEZUSCNQIL-FUHWJXTLSA-N	0	0	354.454	2.575	10	30		FFEERN
Cn1ncc2c1C[C@H](C(=O)N[C@H]1CCc3nc(C(C)(C)C)cn3C1)CC2	ZINC000328673254	511913876	/nfs/dbraw/zinc/91/38/76/511913876.db2.gz	OYAHLJQHKKDBRO-HIFRSBDPSA-N	0	0	355.486	2.991	10	30		FFEERN
C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@@H](n2cccn2)C1	ZINC000328696672	511916092	/nfs/dbraw/zinc/91/60/92/511916092.db2.gz	KYIHFRHVCVUXBT-GDBMZVCRSA-N	0	0	356.426	2.968	10	30		FFEERN
C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@H](n2cccn2)C1	ZINC000328696676	511916175	/nfs/dbraw/zinc/91/61/75/511916175.db2.gz	KYIHFRHVCVUXBT-HOCLYGCPSA-N	0	0	356.426	2.968	10	30		FFEERN
C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@@H](n2cccn2)C1	ZINC000328696674	511916670	/nfs/dbraw/zinc/91/66/70/511916670.db2.gz	KYIHFRHVCVUXBT-GOEBONIOSA-N	0	0	356.426	2.968	10	30		FFEERN
CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC(=O)NC12CCC2	ZINC000328748129	511925257	/nfs/dbraw/zinc/92/52/57/511925257.db2.gz	PLXGXQCTXADFCV-VXGBXAGGSA-N	0	0	353.488	2.932	10	30		FFEERN
O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)N[C@@H]1CCO[C@@H]1C1CC1	ZINC000328846952	511940496	/nfs/dbraw/zinc/94/04/96/511940496.db2.gz	SHIPKAJAQKDYBR-YSVLISHTSA-N	0	0	357.410	2.626	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1cnc([C@H]2CCCO2)s1	ZINC000328929640	511952778	/nfs/dbraw/zinc/95/27/78/511952778.db2.gz	HDIBCNNWQRKTRK-NJZAAPMLSA-N	0	0	362.455	2.811	10	30		FFEERN
CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000328968686	511958783	/nfs/dbraw/zinc/95/87/83/511958783.db2.gz	NWVPLTSQCCOFGJ-IIAWOOMASA-N	0	0	372.473	2.667	10	30		FFEERN
CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1C1CC1	ZINC000328978109	511960182	/nfs/dbraw/zinc/96/01/82/511960182.db2.gz	QSKXHIHZZTUMRF-JQFCIGGWSA-N	0	0	361.490	2.682	10	30		FFEERN
CC[C@@H]1CCC[C@@H](NC(=O)N2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)C1	ZINC000329000557	511964531	/nfs/dbraw/zinc/96/45/31/511964531.db2.gz	HKMRHGPRVJZQRV-NCOADZHNSA-N	0	0	351.491	2.581	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)C[C@@H]21	ZINC000328995950	511965004	/nfs/dbraw/zinc/96/50/04/511965004.db2.gz	WKJHDVMPFXEFGX-JKSUJKDBSA-N	0	0	356.426	2.656	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)C1	ZINC000329052319	511973919	/nfs/dbraw/zinc/97/39/19/511973919.db2.gz	LFCSFBDUWSDZDA-MLHJIOFPSA-N	0	0	363.502	2.581	10	30		FFEERN
C[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329140839	511992767	/nfs/dbraw/zinc/99/27/67/511992767.db2.gz	JUNGODBPAVPGCU-WRWLIDTKSA-N	0	0	359.470	2.579	10	30		FFEERN
CC[C@@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccc(Cl)cc1	ZINC000329199871	512003808	/nfs/dbraw/zinc/00/38/08/512003808.db2.gz	VZHZAOHKZDLMQR-NUEKZKHPSA-N	0	0	370.902	2.867	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CC[C@H](C)[C@H](C)C2)on1	ZINC000329234486	512010776	/nfs/dbraw/zinc/01/07/76/512010776.db2.gz	HUYUSYFEIUJNCR-XRGAULLZSA-N	0	0	352.454	2.787	10	30		FFEERN
CC(C)n1ncc2c1C[C@H](NC(=O)[C@H]1COCCN1CC1CCC1)CC2	ZINC000329284354	512019675	/nfs/dbraw/zinc/01/96/75/512019675.db2.gz	NWKMVSCDFNWXKY-IEBWSBKVSA-N	0	0	360.502	2.779	10	30		FFEERN
Cc1nnc([C@@H]2CN(CC(=O)N[C@@H]3CCCc4ccccc43)CCO2)[nH]1	ZINC000329613088	512077360	/nfs/dbraw/zinc/07/73/60/512077360.db2.gz	DTWIZNNNTZHXAR-SJORKVTESA-N	0	0	355.442	2.521	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCCN3c3nccs3)C2)nn1	ZINC000329628467	512079730	/nfs/dbraw/zinc/07/97/30/512079730.db2.gz	VVTYRUXAGSRIHN-GJZGRUSLSA-N	0	0	372.498	2.836	10	30		FFEERN
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21	ZINC000407951552	512974602	/nfs/dbraw/zinc/97/46/02/512974602.db2.gz	CBZVOXTUCZDDIS-GOEBONIOSA-N	0	0	363.483	2.749	10	30		FFEERN
N#CC1(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)CCCCC1	ZINC000407983252	512978392	/nfs/dbraw/zinc/97/83/92/512978392.db2.gz	OMWVFOYJLBQENU-UHFFFAOYSA-N	0	0	363.527	2.711	10	30		FFEERN
N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Br)c2c(c1)OCCO2	ZINC000408328831	513045794	/nfs/dbraw/zinc/04/57/94/513045794.db2.gz	HDORDBGNEITFMJ-SKDRFNHKSA-N	0	0	351.200	2.642	10	30		FFEERN
CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2ccc(Cl)c(C#N)n2)C1	ZINC000548662180	517118605	/nfs/dbraw/zinc/11/86/05/517118605.db2.gz	VRYLBCKHTUSOSK-MRXNPFEDSA-N	0	0	361.858	2.613	10	30		FFEERN
CCOC(=O)c1ccc(I)c(C#N)c1OC(F)F	ZINC000575386497	518208742	/nfs/dbraw/zinc/20/87/42/518208742.db2.gz	UXCSLNJTTZEUKS-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
COC(=O)c1cc(C#N)cc(OC(F)F)c1I	ZINC000575386503	518208876	/nfs/dbraw/zinc/20/88/76/518208876.db2.gz	VJHMSQHIJLVWES-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)c1cc(OC(F)(F)F)cc(I)c1C#N	ZINC000575392796	518210077	/nfs/dbraw/zinc/21/00/77/518210077.db2.gz	XCDILPZOLVXVKL-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
COC(=O)c1ccc(I)c(C#N)c1OC(F)(F)F	ZINC000575392820	518210211	/nfs/dbraw/zinc/21/02/11/518210211.db2.gz	ZMOCNAVPKRHMJA-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
COC(=O)Cc1cc(I)c(C#N)c(C(F)(F)F)c1	ZINC000575392995	518210256	/nfs/dbraw/zinc/21/02/56/518210256.db2.gz	UHUNEFOZGYKJFO-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
N#CCc1cc(OC(F)F)c(I)c([N+](=O)[O-])c1	ZINC000575668707	518247048	/nfs/dbraw/zinc/24/70/48/518247048.db2.gz	XWPNWRBCWREZEQ-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
C[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1	ZINC000328645951	524119677	/nfs/dbraw/zinc/11/96/77/524119677.db2.gz	ZVVVFJISXSNHSS-RYRKJORJSA-N	0	0	373.501	2.943	10	30		FFEERN
N#C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1	ZINC000038244238	526500858	/nfs/dbraw/zinc/50/08/58/526500858.db2.gz	SNYLJLLCAXQRJF-OKZBNKHCSA-N	0	0	351.358	2.750	10	30		FFEERN
CCN1C(=O)CC[C@H](C(=O)N[C@H](C)c2ncc(C)o2)[C@@H]1c1cnn(C)c1	ZINC000330361635	568515742	/nfs/dbraw/zinc/51/57/42/568515742.db2.gz	YPLHPIRDLLSBLR-INWMFGNUSA-N	0	0	359.430	2.734	10	30		FFEERN
C#CCN(C(=O)CCc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1	ZINC000104312630	728501625	/nfs/dbraw/zinc/50/16/25/728501625.db2.gz	MPFRVOFSKNYWIA-ZDUSSCGKSA-N	0	0	374.289	2.575	10	30		FFEERN
C#C[C@@H](OC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21)C1CC1	ZINC000134144922	728728840	/nfs/dbraw/zinc/72/88/40/728728840.db2.gz	XVOUFDLEMPNETP-IAGOWNOFSA-N	0	0	354.431	2.638	10	30		FFEERN
C#C[C@H](OC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21)C1CC1	ZINC000134144741	728728867	/nfs/dbraw/zinc/72/88/67/728728867.db2.gz	XVOUFDLEMPNETP-SJORKVTESA-N	0	0	354.431	2.638	10	30		FFEERN
CCCCCCCS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1	ZINC000195240781	729533474	/nfs/dbraw/zinc/53/34/74/729533474.db2.gz	UJFLUUKGKWRNIB-KRWDZBQOSA-N	0	0	357.520	2.501	10	30		FFEERN
Cc1cn2c(n1)[C@@H](CNC(=O)CSCC(=O)N1CCCCC1)CCC2	ZINC000328694862	729794724	/nfs/dbraw/zinc/79/47/24/729794724.db2.gz	CYTRPABLMWTBRL-OAHLLOKOSA-N	0	0	364.515	2.771	10	30		FFEERN
C[C@H](C[C@H]1CCCO1)NC(=O)N1CCC(C(=O)Nc2nncs2)CC1	ZINC000328790551	729795063	/nfs/dbraw/zinc/79/50/63/729795063.db2.gz	YVGFFLYGAMUJIN-DGCLKSJQSA-N	0	0	367.475	2.710	10	30		FFEERN
C[C@@H]1OCC[C@H]1NC(=O)N1CCOc2ccc(Br)cc2C1	ZINC000328761583	729795084	/nfs/dbraw/zinc/79/50/84/729795084.db2.gz	YKNLCLIEBQJGFQ-GXFFZTMASA-N	0	0	355.232	2.735	10	30		FFEERN
C[C@H](NC(=O)NC[C@@H]1CCCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2	ZINC000329176241	729796597	/nfs/dbraw/zinc/79/65/97/729796597.db2.gz	BUPJMCFYLUISNU-ZZNOFCQSSA-N	0	0	368.543	2.920	10	30		FFEERN
C[C@@H](NC(=O)N1CCCS(=O)(=O)CC1)C12CC3CC(CC(C3)C1)C2	ZINC000329152220	729796661	/nfs/dbraw/zinc/79/66/61/729796661.db2.gz	ANQJLIIIAZBNRM-ZZFFKQLHSA-N	0	0	354.516	2.626	10	30		FFEERN
C[C@@H]1CN(C(=O)NC2CCC(C(F)(F)F)CC2)C[C@@]2(CCOC2)O1	ZINC000329942793	729799471	/nfs/dbraw/zinc/79/94/71/729799471.db2.gz	VVIHTJZZTICJRU-XZNOPERXSA-N	0	0	350.381	2.901	10	30		FFEERN
O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)N1CC[C@H]2CCC[C@@H]21	ZINC000330233827	729800615	/nfs/dbraw/zinc/80/06/15/729800615.db2.gz	GCSKVHGGHVVRDF-WBMJQRKESA-N	0	0	367.446	2.786	10	30		FFEERN
N#CC1(CS(=O)(=O)N[C@H]2CCO[C@H](c3cccs3)C2)CCCC1	ZINC000333707322	729810534	/nfs/dbraw/zinc/81/05/34/729810534.db2.gz	PEUYWXXXJHURQK-KBPBESRZSA-N	0	0	354.497	2.972	10	30		FFEERN
C=CCN(CC(=O)Nc1cc(F)cc(F)c1)S(=O)(=O)c1cccs1	ZINC000010858419	845014289	/nfs/dbraw/zinc/01/42/89/845014289.db2.gz	YXPZMCUTCLDQEE-UHFFFAOYSA-N	0	0	372.418	2.842	10	30		FFEERN
O=C(NCCc1c[nH]c2ncccc12)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000328867660	964927561	/nfs/dbraw/zinc/92/75/61/964927561.db2.gz	XDHOCFMGFFAKDU-BBWFWOEESA-N	0	0	354.454	2.957	10	30		FFEERN
Cn1nccc1[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]2C#N)CCC(=O)N1C1CC1	ZINC000328922959	965051599	/nfs/dbraw/zinc/05/15/99/965051599.db2.gz	USDWOQFSSQLVMM-AZAGILFBSA-N	0	0	355.442	2.511	10	30		FFEERN
C[C@@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)C12CC3CC(CC(C3)C1)C2	ZINC000330072772	970316806	/nfs/dbraw/zinc/31/68/06/970316806.db2.gz	ZHKAWRJKZVLJGV-BUBBNXEVSA-N	0	0	370.497	2.657	10	30		FFEERN
C#CCN(C(=O)c1cccc(Oc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000104306574	1004529302	/nfs/dbraw/zinc/52/93/02/1004529302.db2.gz	KXCQFWKJHIITGN-QGZVFWFLSA-N	0	0	369.442	2.741	10	30		FFEERN
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ncon2)cc1	ZINC000107409292	1005438340	/nfs/dbraw/zinc/43/83/40/1005438340.db2.gz	KGLJQYKYCMSXOF-CQSZACIVSA-N	0	0	362.345	2.706	10	30		FFEERN
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1COc2ccccc2O1	ZINC000109355527	1005816755	/nfs/dbraw/zinc/81/67/55/1005816755.db2.gz	WSLOTQJAYSHPDM-QGZVFWFLSA-N	0	0	354.381	2.811	10	30		FFEERN
O=[N+]([O-])c1cc(S(=O)(=O)N/N=C2\CCc3ccccc32)ccc1Cl	ZINC000005603642	204216978	/nfs/dbraw/zinc/21/69/78/204216978.db2.gz	VEKNRAJTIQBELW-SAPNQHFASA-N	0	0	365.798	2.877	10	30		FFEERN
CCN(CC)C(=O)Cc1nn(Cc2ccc(C#N)cc2)c(=O)c2ccccc12	ZINC000040384817	205068197	/nfs/dbraw/zinc/06/81/97/205068197.db2.gz	MGLDBTKEFCFUKZ-UHFFFAOYSA-N	0	0	374.444	2.727	10	30		FFEERN
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)n1	ZINC000091188347	249929729	/nfs/dbraw/zinc/92/97/29/249929729.db2.gz	GZRIINMZHLAKNR-INIZCTEOSA-N	0	0	365.437	2.642	10	30		FFEERN
N#Cc1ccc(OCCNC(=O)N2CCC[C@H](c3nccs3)C2)cc1	ZINC000173508812	251196629	/nfs/dbraw/zinc/19/66/29/251196629.db2.gz	FWZZXFYQRDELPX-HNNXBMFYSA-N	0	0	356.451	2.983	10	30		FFEERN
CCOc1cc(C)nc(N2CCN(c3cc(C(C)=O)ccc3C#N)CC2)n1	ZINC000302104981	258088011	/nfs/dbraw/zinc/08/80/11/258088011.db2.gz	NCFMHKKJGTZPHX-UHFFFAOYSA-N	0	0	365.437	2.585	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N[C@@H]2CCC(=O)NC23CCC3)ccc1Cl	ZINC000328743625	258119421	/nfs/dbraw/zinc/11/94/21/258119421.db2.gz	NMSXHUNNSXKTEW-CYBMUJFWSA-N	0	0	353.831	2.532	10	30		FFEERN
N#Cc1ccc(NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)c([N+](=O)[O-])c1	ZINC000301564339	258056454	/nfs/dbraw/zinc/05/64/54/258056454.db2.gz	LLEXTBWAYNKYLU-KRWDZBQOSA-N	0	0	364.405	2.970	10	30		FFEERN
N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000301574156	258056617	/nfs/dbraw/zinc/05/66/17/258056617.db2.gz	PJROVOLZMAKUDS-MRXNPFEDSA-N	0	0	364.405	2.970	10	30		FFEERN
Cc1nnc([C@@H]2CCCCN2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[nH]1	ZINC000328674810	258117612	/nfs/dbraw/zinc/11/76/12/258117612.db2.gz	KDCJBOBGHXCXDQ-ROUUACIJSA-N	0	0	364.453	2.707	10	30		FFEERN
N#Cc1cc(NCCNc2nnnn2-c2ccccc2)c2ccccc2n1	ZINC000301792750	258067794	/nfs/dbraw/zinc/06/77/94/258067794.db2.gz	OFQJKQJDQZZKGO-UHFFFAOYSA-N	0	0	356.393	2.606	10	30		FFEERN
COC(=O)c1cc(I)c(C(F)(F)F)cc1C#N	ZINC000575392701	518209298	/nfs/dbraw/zinc/20/92/98/518209298.db2.gz	OUMQWIHPQFCCNM-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
COC(=O)c1ccc(OC(F)(F)F)c(C#N)c1I	ZINC000575392260	518209328	/nfs/dbraw/zinc/20/93/28/518209328.db2.gz	KLTVHXVCOCVQAB-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
C/N=C1/S/C(=C/c2cn(C(C)=O)nc2-c2ccc(F)cc2)C(=O)N1C	ZINC000000970294	506242096	/nfs/dbraw/zinc/24/20/96/506242096.db2.gz	ODSLYKGDVWIJKE-RHGWRPMFSA-N	0	0	358.398	2.881	10	30		FFEERN
O=C(Nc1nc(Cl)nc(Cl)n1)C(F)(F)C(F)(F)C(F)(F)F	ZINC000002571959	506283148	/nfs/dbraw/zinc/28/31/48/506283148.db2.gz	JWEMDOVIPGXOIF-UHFFFAOYSA-N	0	0	361.004	2.950	10	30		FFEERN
C/N=C1/S/C(=C\c2cn(C(C)=O)nc2-c2ccc(F)cc2)C(=O)N1C	ZINC000033286021	506353885	/nfs/dbraw/zinc/35/38/85/506353885.db2.gz	ODSLYKGDVWIJKE-ZOBMXMCISA-N	0	0	358.398	2.881	10	30		FFEERN
O=C(C#Cc1ccccc1)N1CCC2(C[C@@H]2C(=O)NCc2ccccc2)CC1	ZINC000012451994	506866652	/nfs/dbraw/zinc/86/66/52/506866652.db2.gz	OMPBXYMHNFUBEI-OAQYLSRUSA-N	0	0	372.468	2.983	10	30		FFEERN
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000025841796	507537746	/nfs/dbraw/zinc/53/77/46/507537746.db2.gz	PDFNGVBHEDMYJP-MRXNPFEDSA-N	0	0	363.483	2.630	10	30		FFEERN
N#C[C@H](NC(=O)CC1(CC(=O)N[C@H](C#N)C2CC2)CCCCC1)C1CC1	ZINC000108827214	507920942	/nfs/dbraw/zinc/92/09/42/507920942.db2.gz	HFASLGLXAWWMOE-CALCHBBNSA-N	0	0	356.470	2.554	10	30		FFEERN
Cc1cc(N2CCO[C@H](Cn3cccn3)C2)n2c3ccccc3nc2c1C#N	ZINC000108949739	507928259	/nfs/dbraw/zinc/92/82/59/507928259.db2.gz	QSJXGVGNBZDJND-INIZCTEOSA-N	0	0	372.432	2.770	10	30		FFEERN
O=C(Nc1n[nH]c(-c2ccco2)n1)[C@@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000073973165	507972656	/nfs/dbraw/zinc/97/26/56/507972656.db2.gz	JMZNLLMUVRZBCV-CQSZACIVSA-N	0	0	365.393	2.744	10	30		FFEERN
Cc1nc(CN2CCCN(C(=O)c3ccccc3OCC#N)CC2)cs1	ZINC000109651470	507975863	/nfs/dbraw/zinc/97/58/63/507975863.db2.gz	XRJYBNIQXDCVGU-UHFFFAOYSA-N	0	0	370.478	2.702	10	30		FFEERN
N#Cc1ccccc1OCC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000091757652	508009528	/nfs/dbraw/zinc/00/95/28/508009528.db2.gz	VFLXBLBNHPMKEK-WMLDXEAASA-N	0	0	358.344	2.550	10	30		FFEERN
CN(CC#N)C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1	ZINC000101514986	508241708	/nfs/dbraw/zinc/24/17/08/508241708.db2.gz	YXKYLDPKPJGJTH-UHFFFAOYSA-N	0	0	360.215	2.503	10	30		FFEERN
COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1F	ZINC000102962445	508290533	/nfs/dbraw/zinc/29/05/33/508290533.db2.gz	IERUMDLFOYUFGH-SNVBAGLBSA-N	0	0	359.332	2.661	10	30		FFEERN
CC(C)Cc1ccc([C@@H](C)C(=O)NCCNC(=O)C2N=CC=CC2=O)cc1	ZINC000152777275	508514366	/nfs/dbraw/zinc/51/43/66/508514366.db2.gz	DPXBEIWQGSCNKE-DSGGYQJVSA-N	0	0	369.465	2.631	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C#N)C2)c1	ZINC000157471721	508570715	/nfs/dbraw/zinc/57/07/15/508570715.db2.gz	RMUGYQYZTDAVKZ-CYBMUJFWSA-N	0	0	364.858	2.742	10	30		FFEERN
N#Cc1ccc(OC(=O)C2CCN(C(=O)c3ccccn3)CC2)c(F)c1	ZINC000158029486	508647314	/nfs/dbraw/zinc/64/73/14/508647314.db2.gz	IJXHMBFWVYKFHW-UHFFFAOYSA-N	0	0	353.353	2.550	10	30		FFEERN
C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1cccc(-n2ccnc2)c1	ZINC000123384989	508678861	/nfs/dbraw/zinc/67/88/61/508678861.db2.gz	JLUABXSHFKENME-CYBMUJFWSA-N	0	0	370.409	2.923	10	30		FFEERN
C=C(C)CNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000154334260	508763054	/nfs/dbraw/zinc/76/30/54/508763054.db2.gz	FMYAEACHRYWTCC-AWEZNQCLSA-N	0	0	353.806	2.695	10	30		FFEERN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1Br	ZINC000124672425	508867368	/nfs/dbraw/zinc/86/73/68/508867368.db2.gz	XLIDTDUTRZMIIE-WDEREUQCSA-N	0	0	354.248	2.500	10	30		FFEERN
C#CCCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1	ZINC000155970839	509102583	/nfs/dbraw/zinc/10/25/83/509102583.db2.gz	OLCLPPBNGRZCLO-SFHVURJKSA-N	0	0	350.418	2.766	10	30		FFEERN
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCn2nc(CC)nc21	ZINC000133222012	509134897	/nfs/dbraw/zinc/13/48/97/509134897.db2.gz	MWOCUBOOWVWAPU-INIZCTEOSA-N	0	0	355.417	2.660	10	30		FFEERN
Cc1csc([C@H]2CCCN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)n1	ZINC000121650609	509180035	/nfs/dbraw/zinc/18/00/35/509180035.db2.gz	ACGKHZNMZHTAHP-HNNXBMFYSA-N	0	0	354.431	2.938	10	30		FFEERN
CCn1cc(C2CCN([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)cn1	ZINC000195500241	509193825	/nfs/dbraw/zinc/19/38/25/509193825.db2.gz	MUNFDTYIDAZYCE-MRXNPFEDSA-N	0	0	357.502	2.814	10	30		FFEERN
C[C@@](O)(CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccccc1	ZINC000248412815	509305154	/nfs/dbraw/zinc/30/51/54/509305154.db2.gz	KCMVUOHDOSEEPP-RBBKRZOGSA-N	0	0	363.461	2.521	10	30		FFEERN
C=CCCO[C@H](C)C(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000248594733	509380911	/nfs/dbraw/zinc/38/09/11/509380911.db2.gz	MBKUMTATPNHHTO-QKPAOTATSA-N	0	0	352.475	2.729	10	30		FFEERN
Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1	ZINC000192304115	509454452	/nfs/dbraw/zinc/45/44/52/509454452.db2.gz	QHCDTHXUAVBDSI-RHSMWYFYSA-N	0	0	366.421	2.621	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C12CCOCC2	ZINC000185969703	509455889	/nfs/dbraw/zinc/45/58/89/509455889.db2.gz	XGEZJFZBYDVHAG-ZWKOTPCHSA-N	0	0	357.454	2.674	10	30		FFEERN
C[C@@H](CC(=O)N(C)c1ccccc1)Nc1cnn(-c2ncccc2C#N)c1	ZINC000186023899	509485655	/nfs/dbraw/zinc/48/56/55/509485655.db2.gz	DOZDDOFAOROPAH-HNNXBMFYSA-N	0	0	360.421	2.992	10	30		FFEERN
C[C@H](N[C@@H](C)c1nnc2n1CCCC2)C(=O)N(CCC#N)c1ccccc1	ZINC000173630173	509685520	/nfs/dbraw/zinc/68/55/20/509685520.db2.gz	WDRKIHQAFZSTOK-HOTGVXAUSA-N	0	0	366.469	2.600	10	30		FFEERN
Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000180040215	509721314	/nfs/dbraw/zinc/72/13/14/509721314.db2.gz	WHBQWTNMJLPXJE-CQSZACIVSA-N	0	0	364.858	2.570	10	30		FFEERN
C[C@@H]1CN([C@H](CNC(=O)c2cccc(F)c2C#N)c2cccs2)CCO1	ZINC000249596711	509722314	/nfs/dbraw/zinc/72/23/14/509722314.db2.gz	XAAHVUBFYPKNFE-CXAGYDPISA-N	0	0	373.453	2.951	10	30		FFEERN
N#CCOc1ccc(CC(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1	ZINC000180165788	509790139	/nfs/dbraw/zinc/79/01/39/509790139.db2.gz	QHEQDEJJGZXMCY-DNVCBOLYSA-N	0	0	372.371	2.744	10	30		FFEERN
COc1cc(OC)cc([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1	ZINC000177027134	509825375	/nfs/dbraw/zinc/82/53/75/509825375.db2.gz	UUSSSTJCCDPHAO-HNNXBMFYSA-N	0	0	372.446	2.754	10	30		FFEERN
CCn1cc(C2CCN([C@H](C(=O)OC)c3cccc(C#N)c3)CC2)cn1	ZINC000177033734	509829287	/nfs/dbraw/zinc/82/92/87/509829287.db2.gz	AOHQEKBUUBTABA-IBGZPJMESA-N	0	0	352.438	2.868	10	30		FFEERN
COC[C@H](C)OC[C@H](C)OC[C@@H](C)OS(=O)(=O)c1ccc(C)cc1	ZINC000242473368	509847087	/nfs/dbraw/zinc/84/70/87/509847087.db2.gz	FHXUXRSOESBUSF-HRCADAONSA-N	0	0	360.472	2.545	10	30		FFEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCc2c(nc(C(C)C)n2C)C1	ZINC000177060285	509847502	/nfs/dbraw/zinc/84/75/02/509847502.db2.gz	VINUTIPRTCRUBW-GOSISDBHSA-N	0	0	352.438	2.688	10	30		FFEERN
COC(=O)c1ccc(COc2ccc(C=NN3C(=S)N=NC3C)cc2)o1	ZINC000254844939	509910520	/nfs/dbraw/zinc/91/05/20/509910520.db2.gz	QWPSGKVCLATMMK-UHFFFAOYSA-N	0	0	372.406	2.716	10	30		FFEERN
CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000190111951	509944812	/nfs/dbraw/zinc/94/48/12/509944812.db2.gz	VISCEQHMIRGPAX-JSGCOSHPSA-N	0	0	361.789	2.897	10	30		FFEERN
C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(F)c(Cl)c1	ZINC000171115613	509952321	/nfs/dbraw/zinc/95/23/21/509952321.db2.gz	YIICWLBRVCELII-NSHDSACASA-N	0	0	359.788	2.958	10	30		FFEERN
N#CCCN(C(=O)CN1CCCN(c2ccccn2)CC1)c1ccccc1	ZINC000183805683	509983910	/nfs/dbraw/zinc/98/39/10/509983910.db2.gz	ZZJJIRFAUHIDFC-UHFFFAOYSA-N	0	0	363.465	2.541	10	30		FFEERN
CC(C)N1C(=O)C[C@H](C(=O)N[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000245601758	510030311	/nfs/dbraw/zinc/03/03/11/510030311.db2.gz	GAFNHCIOTFQXJJ-RSAASHCRSA-N	0	0	351.809	2.805	10	30		FFEERN
CC(C)N1C(=O)C[C@H](C(=O)N[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000245601762	510032613	/nfs/dbraw/zinc/03/26/13/510032613.db2.gz	GAFNHCIOTFQXJJ-XAGWURHQSA-N	0	0	351.809	2.805	10	30		FFEERN
CCc1ccc([C@H]2CCCCN2C(=O)C(=O)Nc2ccn(CCC#N)n2)o1	ZINC000190408681	510114441	/nfs/dbraw/zinc/11/44/41/510114441.db2.gz	GVJZYJDBKKLRPB-OAHLLOKOSA-N	0	0	369.425	2.644	10	30		FFEERN
N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCCn3ncnc32)c1	ZINC000177530151	510117175	/nfs/dbraw/zinc/11/71/75/510117175.db2.gz	AKAYKFFQUSIEEZ-SFHVURJKSA-N	0	0	373.416	2.994	10	30		FFEERN
C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)c1	ZINC000177667481	510189842	/nfs/dbraw/zinc/18/98/42/510189842.db2.gz	YWQMRNQWHKSMSI-QGZVFWFLSA-N	0	0	368.437	2.559	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3cc(C#N)ccc3Cl)C2)c1	ZINC000184608309	510413927	/nfs/dbraw/zinc/41/39/27/510413927.db2.gz	FCVCGRXIHWKFDI-CQSZACIVSA-N	0	0	364.858	2.742	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(C(=O)c3cccc(CC#N)c3)CC2)cn1	ZINC000172111823	510548883	/nfs/dbraw/zinc/54/88/83/510548883.db2.gz	PCAJNCBMRDYRRP-UHFFFAOYSA-N	0	0	365.481	2.662	10	30		FFEERN
C=CCC[C@H](Nc1cccc(S(=O)(=O)N2CCC(O)CC2)c1)C1CC1	ZINC000188096460	510591203	/nfs/dbraw/zinc/59/12/03/510591203.db2.gz	CLMZNLVDGRZEAW-IBGZPJMESA-N	0	0	364.511	2.989	10	30		FFEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1nccs1	ZINC000188122685	510605599	/nfs/dbraw/zinc/60/55/99/510605599.db2.gz	PBKCVOTYXVRMSA-HNNXBMFYSA-N	0	0	369.446	2.847	10	30		FFEERN
CNC(=O)[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(C)C	ZINC000178675142	510716777	/nfs/dbraw/zinc/71/67/77/510716777.db2.gz	MUNGEINRNBRRFD-LJQANCHMSA-N	0	0	365.433	2.638	10	30		FFEERN
CCc1nccn1[C@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1	ZINC000172461288	510739713	/nfs/dbraw/zinc/73/97/13/510739713.db2.gz	JAJLWSGYDCFCHU-KRWDZBQOSA-N	0	0	367.453	2.895	10	30		FFEERN
C[C@@](C#N)(NC(=O)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1)C1CC1	ZINC000246972904	510777273	/nfs/dbraw/zinc/77/72/73/510777273.db2.gz	VNMVGIGMKCUIDV-PXNSSMCTSA-N	0	0	357.429	2.671	10	30		FFEERN
Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H](Oc3cccnc3)C2)c(C#N)c1C	ZINC000247017799	510803259	/nfs/dbraw/zinc/80/32/59/510803259.db2.gz	ZIKFGLIKLUARLE-CZUORRHYSA-N	0	0	354.410	2.643	10	30		FFEERN
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@H]1C1CCCCC1	ZINC000247485081	510862671	/nfs/dbraw/zinc/86/26/71/510862671.db2.gz	WLEGUIJCCJZXMX-PVAVHDDUSA-N	0	0	353.470	2.602	10	30		FFEERN
CS[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1	ZINC000329904977	510874532	/nfs/dbraw/zinc/87/45/32/510874532.db2.gz	JJYKEUOAEIOFCF-ZQDZILKHSA-N	0	0	367.494	2.571	10	30		FFEERN
C[C@H]1CCN(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)CCS1	ZINC000329960731	510886544	/nfs/dbraw/zinc/88/65/44/510886544.db2.gz	OCCNEBFGAAXXBH-ZVZYQTTQSA-N	0	0	361.511	2.947	10	30		FFEERN
C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000329978409	510892317	/nfs/dbraw/zinc/89/23/17/510892317.db2.gz	HMYMYXUSPMMTMY-UKRRQHHQSA-N	0	0	373.432	2.631	10	30		FFEERN
CCOc1cc2c(cc1NC(=O)N1CCC[C@@H](c3nnc[nH]3)C1)O[C@@H](C)C2	ZINC000330144715	510924226	/nfs/dbraw/zinc/92/42/26/510924226.db2.gz	RVQVXDORJPJANA-QWHCGFSZSA-N	0	0	371.441	2.952	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CSc2ccccc21	ZINC000330170602	510929537	/nfs/dbraw/zinc/92/95/37/510929537.db2.gz	BUSRVEHKCJUXML-UMVBOHGHSA-N	0	0	354.497	2.693	10	30		FFEERN
C[C@@H]1C[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C[C@H](C)O1	ZINC000282324025	510931156	/nfs/dbraw/zinc/93/11/56/510931156.db2.gz	TYKRSAYXFUEFKG-BJWYYQGGSA-N	0	0	356.470	2.593	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCOC2(CCCCC2)C1	ZINC000330203283	510936718	/nfs/dbraw/zinc/93/67/18/510936718.db2.gz	BXISRLOBPINAAM-BZUAXINKSA-N	0	0	372.531	2.728	10	30		FFEERN
Cn1nccc1[C@H]1[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)CC(=O)N1C	ZINC000330286032	510958316	/nfs/dbraw/zinc/95/83/16/510958316.db2.gz	ZMLOLMRJIBKGOK-FRQCXROJSA-N	0	0	352.438	2.974	10	30		FFEERN
C#CCNC(=O)c1ccc(N2CC[C@@H](Oc3cccc(Cl)c3)C2)nc1	ZINC000301831263	511701542	/nfs/dbraw/zinc/70/15/42/511701542.db2.gz	IFNBVZVHHZZPDH-QGZVFWFLSA-N	0	0	355.825	2.756	10	30		FFEERN
CC(C)N1C(=O)N[C@@H]2CN(c3ccc(C#N)cc3Br)CC[C@@H]21	ZINC000284544352	511765683	/nfs/dbraw/zinc/76/56/83/511765683.db2.gz	KXTMLRBPVXWWCR-HIFRSBDPSA-N	0	0	363.259	2.702	10	30		FFEERN
CC(C)C(=O)N[C@@H]1CCCN(C(=O)Cc2cc(F)cc3c2OCOC3)C1	ZINC000328639723	511904656	/nfs/dbraw/zinc/90/46/56/511904656.db2.gz	CFEUAPWMHUDHDL-MRXNPFEDSA-N	0	0	364.417	2.838	10	30		FFEERN
CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(c2cccc(F)c2C#N)CC1	ZINC000328655011	511909773	/nfs/dbraw/zinc/90/97/73/511909773.db2.gz	XYEAOQMFMCGXBR-HNNXBMFYSA-N	0	0	365.474	2.870	10	30		FFEERN
Cc1cc(N(C)C)nc(NC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)n1	ZINC000328659838	511911044	/nfs/dbraw/zinc/91/10/44/511911044.db2.gz	UGKSQLVFHOBGBR-OAHLLOKOSA-N	0	0	374.489	2.501	10	30		FFEERN
CC[C@@H]1CCCCN1C(=O)CN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000328666368	511912362	/nfs/dbraw/zinc/91/23/62/511912362.db2.gz	CUOSHWANSCCAHL-ZOCZFRKYSA-N	0	0	366.465	2.772	10	30		FFEERN
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCCC12CCOCC2	ZINC000328726371	511921552	/nfs/dbraw/zinc/92/15/52/511921552.db2.gz	UPAALDKAAGKDKD-JKSUJKDBSA-N	0	0	351.491	2.583	10	30		FFEERN
Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1	ZINC000328964289	511958778	/nfs/dbraw/zinc/95/87/78/511958778.db2.gz	LVAUDBVZHCMYAO-BRWVUGGUSA-N	0	0	374.485	2.635	10	30		FFEERN
CC(C)n1ncc2c1C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1nccn1C)CC2	ZINC000328987806	511961467	/nfs/dbraw/zinc/96/14/67/511961467.db2.gz	CDYGSLMPQPDAST-ZMSDIMECSA-N	0	0	357.458	2.789	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000329001761	511965390	/nfs/dbraw/zinc/96/53/90/511965390.db2.gz	HRDRTVQKTOKOQE-VIQHNZTISA-N	0	0	374.485	2.584	10	30		FFEERN
NC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000329005898	511965867	/nfs/dbraw/zinc/96/58/67/511965867.db2.gz	YUWBKVVGPQFSDK-LXDRRLLZSA-N	0	0	366.437	2.773	10	30		FFEERN
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCc1nnc(C2CC2)n1C1CC1	ZINC000329043806	511973569	/nfs/dbraw/zinc/97/35/69/511973569.db2.gz	PCVLIHBVEQFBNI-RHSMWYFYSA-N	0	0	370.457	2.848	10	30		FFEERN
CCc1noc([C@H](C)N2CCN(CC(=O)NC3CCCCCC3)CC2)n1	ZINC000329175367	511998611	/nfs/dbraw/zinc/99/86/11/511998611.db2.gz	MJIAGDFWAHGDQD-HNNXBMFYSA-N	0	0	363.506	2.990	10	30		FFEERN
C[C@@H](C(=O)Nc1cccc2ccccc21)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1	ZINC000329206358	512005496	/nfs/dbraw/zinc/00/54/96/512005496.db2.gz	YBNKETITCCJMHV-DHSIGJKJSA-N	0	0	358.463	2.935	10	30		FFEERN
Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)CCO2)no1	ZINC000329352756	512031605	/nfs/dbraw/zinc/03/16/05/512031605.db2.gz	USCLGLZKXFKXCF-TUAOUCFPSA-N	0	0	362.352	2.786	10	30		FFEERN
O=C(N[C@H]1CCc2ncnn2C1)C1CCN(C(=O)Nc2ccccc2)CC1	ZINC000329465003	512051874	/nfs/dbraw/zinc/05/18/74/512051874.db2.gz	VGRVMTSSSVCSCT-INIZCTEOSA-N	0	0	368.441	2.507	10	30		FFEERN
O=C1CSc2ccc([NH+]=C([O-])N3CCn4c(nnc4C4CC4)C3)cc2N1	ZINC000329498620	512058042	/nfs/dbraw/zinc/05/80/42/512058042.db2.gz	XVWWEIRJQWYZDZ-UHFFFAOYSA-N	0	0	370.438	2.911	10	30		FFEERN
Cc1noc([C@H]([NH+]=C([O-])N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C2CCOCC2)n1	ZINC000329524983	512063699	/nfs/dbraw/zinc/06/36/99/512063699.db2.gz	SKLJDRVZFAMGNX-XMTFNYHQSA-N	0	0	368.437	2.688	10	30		FFEERN
Cc1nc([C@@H]2CCCN(C(=O)N[C@@H]3CCN(C(C)C)C3=O)C2)sc1C	ZINC000329741953	512093036	/nfs/dbraw/zinc/09/30/36/512093036.db2.gz	PAQHKAMZYLJHRR-HUUCEWRRSA-N	0	0	364.515	2.863	10	30		FFEERN
CC[C@@]1(C)CN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CCO1	ZINC000373661594	512446938	/nfs/dbraw/zinc/44/69/38/512446938.db2.gz	YPEYLOXACWCHOP-XLIONFOSSA-N	0	0	356.470	2.506	10	30		FFEERN
Cc1nnc([C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH]1	ZINC000407975716	512977857	/nfs/dbraw/zinc/97/78/57/512977857.db2.gz	HWKRVUGZXQKDKR-CQSZACIVSA-N	0	0	365.846	2.554	10	30		FFEERN
N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1	ZINC000408334949	513045964	/nfs/dbraw/zinc/04/59/64/513045964.db2.gz	ROJNORWETBOVOA-HOCLYGCPSA-N	0	0	350.422	2.545	10	30		FFEERN
CC(C)(C)c1nsc(N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)n1	ZINC000408363167	513052390	/nfs/dbraw/zinc/05/23/90/513052390.db2.gz	UXIKRRUORUECNM-ADLMAVQZSA-N	0	0	353.451	2.685	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1Br	ZINC000408398531	513058368	/nfs/dbraw/zinc/05/83/68/513058368.db2.gz	YVRWTSZTODALFZ-RYUDHWBXSA-N	0	0	355.257	2.741	10	30		FFEERN
CC(C)(C)OC(=O)N1CC(N[C@@H](C#N)c2ccc(Br)o2)C1	ZINC000409440269	513103082	/nfs/dbraw/zinc/10/30/82/513103082.db2.gz	KIJYMGJKNLPFBO-JTQLQIEISA-N	0	0	356.220	2.816	10	30		FFEERN
CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2nc(C)cc(C)c2C#N)C1	ZINC000548334198	516908252	/nfs/dbraw/zinc/90/82/52/516908252.db2.gz	SBTHTHPWJZVIPB-GOSISDBHSA-N	0	0	355.467	2.577	10	30		FFEERN
CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2ccc(F)cc2C#N)C1	ZINC000548664821	517123897	/nfs/dbraw/zinc/12/38/97/517123897.db2.gz	ACFXQEWIIINFDA-SFHVURJKSA-N	0	0	358.442	2.700	10	30		FFEERN
COC(=O)c1c(I)ccc(C#N)c1OC(F)F	ZINC000575386322	518208793	/nfs/dbraw/zinc/20/87/93/518208793.db2.gz	OEUMHBJNHZBTPO-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
CC(C)(C)NC(=O)CSc1nnc(NN=Cc2c[nH]c3ccccc23)[nH]1	ZINC000005901114	518736483	/nfs/dbraw/zinc/73/64/83/518736483.db2.gz	CJTQGMUFMDHSLU-DJKKODMXSA-N	0	0	371.470	2.739	10	30		FFEERN
CC(C)(O)[C@H]1Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2[C@@H]1O	ZINC000013379887	519370570	/nfs/dbraw/zinc/37/05/70/519370570.db2.gz	KJPLNWFZFTXFPY-FQMXMGHCSA-N	0	0	356.374	2.559	10	30	biogenic	FFEERN
O=C(NCc1cscn1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1	ZINC000328630839	527586192	/nfs/dbraw/zinc/58/61/92/527586192.db2.gz	QGXLGXWFDSFJCA-OAHLLOKOSA-N	0	0	373.482	2.706	10	30		FFEERN
CC(C)c1cccc(OCC(=O)N2CCN(c3ncccc3C#N)CC2)c1	ZINC000106092117	535375815	/nfs/dbraw/zinc/37/58/15/535375815.db2.gz	UPKUGWAFHIQBOO-UHFFFAOYSA-N	0	0	364.449	2.804	10	30		FFEERN
CCOCCOCC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000105758195	728508464	/nfs/dbraw/zinc/50/84/64/728508464.db2.gz	HKAJVQVUMZWBRQ-CYBMUJFWSA-N	0	0	359.209	2.694	10	30		FFEERN
CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000109291157	728525789	/nfs/dbraw/zinc/52/57/89/728525789.db2.gz	KTOVNQJZYWPAOP-QWHCGFSZSA-N	0	0	358.250	2.596	10	30		FFEERN
C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)[C@@H]1CCCCO1	ZINC000328971223	729795931	/nfs/dbraw/zinc/79/59/31/729795931.db2.gz	BMNFWXSLBDGXHD-AADNMHCOSA-N	0	0	354.397	2.944	10	30		FFEERN
N#C[C@@H]1CCC[C@@H]1NC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1	ZINC000330130376	729799935	/nfs/dbraw/zinc/79/99/35/729799935.db2.gz	KKFIJTUQEVACFI-HOCLYGCPSA-N	0	0	362.451	2.658	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000332910678	729805064	/nfs/dbraw/zinc/80/50/64/729805064.db2.gz	XSDVCZSDNSIHAF-RWMBFGLXSA-N	0	0	355.364	2.941	10	30		FFEERN
CNC(=O)Cn1c(-c2c(C)noc2C)csc1=Nc1ccccc1C#N	ZINC000588497245	966137490	/nfs/dbraw/zinc/13/74/90/966137490.db2.gz	XMDSHMYRFMEZCN-UHFFFAOYSA-N	0	0	367.434	2.672	10	30		FFEERN
O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCc2cncnc2C1	ZINC000329268562	967597364	/nfs/dbraw/zinc/59/73/64/967597364.db2.gz	GPNDTXVKWLVMMU-UHFFFAOYSA-N	0	0	373.844	2.570	10	30		FFEERN
Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCCN(c2cccnn2)CC1	ZINC000329439768	967710500	/nfs/dbraw/zinc/71/05/00/967710500.db2.gz	AZGGZTWYEZIOBW-QGZVFWFLSA-N	0	0	367.453	2.653	10	30		FFEERN
COC1CCC(N(C)C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)CC1	ZINC000329617816	967878116	/nfs/dbraw/zinc/87/81/16/967878116.db2.gz	STFWEDPRPIHMLZ-KLAILNCOSA-N	0	0	361.490	2.557	10	30		FFEERN
O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCN(c2cccnn2)CC1	ZINC000330145035	970560148	/nfs/dbraw/zinc/56/01/48/970560148.db2.gz	ZZBVRNPAPUYMOO-UONOGXRCSA-N	0	0	371.407	2.881	10	30		FFEERN
N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1	ZINC000332898464	977683765	/nfs/dbraw/zinc/68/37/65/977683765.db2.gz	NLCRBIFTQXMZGO-QAPCUYQASA-N	0	0	374.448	2.630	10	30		FFEERN
C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(OCC)cc2)c1	ZINC000108605680	1005691548	/nfs/dbraw/zinc/69/15/48/1005691548.db2.gz	AKCPRZLXPYWPCD-HNNXBMFYSA-N	0	0	366.417	2.913	10	30		FFEERN
C=CCN1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccccc2)C1	ZINC000014750573	1021682432	/nfs/dbraw/zinc/68/24/32/1021682432.db2.gz	TYBOJNAUKVGZMW-UHFFFAOYSA-N	0	0	350.466	2.712	10	30		FFEERN
N#CCCN(C(=O)CO/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000003301145	204088967	/nfs/dbraw/zinc/08/89/67/204088967.db2.gz	ZSIUQPIRFZWMAD-DEDYPNTBSA-N	0	0	352.350	2.892	10	30		FFEERN
Cc1cc(C)nc(N=NC(c2nccn2C)c2cccc([N+](=O)[O-])c2)n1	ZINC000004864881	204170138	/nfs/dbraw/zinc/17/01/38/204170138.db2.gz	WAFDKTZCCYAMSQ-QNGOZBTKSA-N	0	0	351.370	2.600	10	30		FFEERN
Cc1c(Cl)cccc1Nc1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-]	ZINC000040588425	205073005	/nfs/dbraw/zinc/07/30/05/205073005.db2.gz	AUEPESHEJSTSHD-UHFFFAOYSA-N	0	0	357.761	2.944	10	30		FFEERN
Cc1ccc2cccc(Nc3ncnc(N(CC#N)CC#N)c3[N+](=O)[O-])c2n1	ZINC000040617912	205074875	/nfs/dbraw/zinc/07/48/75/205074875.db2.gz	IZKDADRQIFHBAH-UHFFFAOYSA-N	0	0	374.364	2.839	10	30		FFEERN
Cc1cccc(NC(=S)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)c1	ZINC000059518543	205281410	/nfs/dbraw/zinc/28/14/10/205281410.db2.gz	JGYMRQIRFVFHBJ-UHFFFAOYSA-N	0	0	355.379	2.546	10	30		FFEERN
C=Cc1cccc(-c2c(C#N)c(N)nc3c2CN(C(=O)[C@@H]2CCCO2)CC3)c1	ZINC000072140311	205478492	/nfs/dbraw/zinc/47/84/92/205478492.db2.gz	ZAZFGYJKBYJJCS-IBGZPJMESA-N	0	0	374.444	2.909	10	30		FFEERN
N#Cc1nc(N2CCC(C(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-]	ZINC000302755503	258109763	/nfs/dbraw/zinc/10/97/63/258109763.db2.gz	WNXWQOMQWJHOFY-UHFFFAOYSA-N	0	0	351.366	2.717	10	30		FFEERN
C[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)C[C@@H]1N1CCOCC1	ZINC000301568368	258056517	/nfs/dbraw/zinc/05/65/17/258056517.db2.gz	LHLLBHTYOIDNKX-UGSOOPFHSA-N	0	0	356.857	2.917	10	30		FFEERN
Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1	ZINC000329000944	258126257	/nfs/dbraw/zinc/12/62/57/258126257.db2.gz	VVYMFHJVLWHZLE-DLBZAZTESA-N	0	0	356.857	2.978	10	30		FFEERN
COC(=O)c1cc(C#N)c(C(F)(F)F)cc1I	ZINC000575392259	518209279	/nfs/dbraw/zinc/20/92/79/518209279.db2.gz	GAAWEDCAUFDQOJ-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
COC(=O)c1c(C#N)cc(I)cc1C(F)(F)F	ZINC000575392294	518209569	/nfs/dbraw/zinc/20/95/69/518209569.db2.gz	HAUVJYTUAXSAEH-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
CN(C)C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1	ZINC000055218521	506701442	/nfs/dbraw/zinc/70/14/42/506701442.db2.gz	FHEFPWHSNKIGGU-KRWDZBQOSA-N	0	0	363.870	2.793	10	30		FFEERN
CN(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1	ZINC000055218524	506701584	/nfs/dbraw/zinc/70/15/84/506701584.db2.gz	FHEFPWHSNKIGGU-QGZVFWFLSA-N	0	0	363.870	2.793	10	30		FFEERN
CN(CCN(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1	ZINC000107703374	507863928	/nfs/dbraw/zinc/86/39/28/507863928.db2.gz	HFWAUIIHRKZYGL-UHFFFAOYSA-N	0	0	363.870	2.969	10	30		FFEERN
N#C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1	ZINC000108831467	507921424	/nfs/dbraw/zinc/92/14/24/507921424.db2.gz	UARBMJDXDFLSBT-GFCCVEGCSA-N	0	0	356.304	2.834	10	30		FFEERN
C=CCN(CC=C)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1	ZINC000109386110	507959392	/nfs/dbraw/zinc/95/93/92/507959392.db2.gz	OLNYNWSINFJHFO-UHFFFAOYSA-N	0	0	353.419	2.572	10	30		FFEERN
CCc1noc([C@H](C)N2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)n1	ZINC000112127647	508153647	/nfs/dbraw/zinc/15/36/47/508153647.db2.gz	OCVCNFMNJPDRSW-LBPRGKRZSA-N	0	0	372.404	2.553	10	30		FFEERN
C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	ZINC000076281301	508180597	/nfs/dbraw/zinc/18/05/97/508180597.db2.gz	PKMVTMDTWJIIBJ-NHYWBVRUSA-N	0	0	353.353	2.953	10	30		FFEERN
COc1cc(Cl)cc([C@H](C#Cc2cncnc2)N2CCOCC2)c1OC	ZINC000096179611	508209573	/nfs/dbraw/zinc/20/95/73/508209573.db2.gz	GFDZIQUIMKJFTM-KRWDZBQOSA-N	0	0	373.840	2.572	10	30		FFEERN
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](c2cc(OC)cc(OC)c2)C1	ZINC000083252241	508243672	/nfs/dbraw/zinc/24/36/72/508243672.db2.gz	AWTMXUKTBVGDCL-HOTGVXAUSA-N	0	0	359.470	2.501	10	30		FFEERN
N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(F)c2F)cc1	ZINC000102346704	508272631	/nfs/dbraw/zinc/27/26/31/508272631.db2.gz	PHHACBKQQYVTMK-OAHLLOKOSA-N	0	0	373.384	2.990	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(C)C)cc1	ZINC000103326792	508308183	/nfs/dbraw/zinc/30/81/83/508308183.db2.gz	SMIIFZQYUYEYSI-QZTJIDSGSA-N	0	0	371.481	2.872	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C(C)C)cc1	ZINC000103326786	508308283	/nfs/dbraw/zinc/30/82/83/508308283.db2.gz	SMIIFZQYUYEYSI-ROUUACIJSA-N	0	0	371.481	2.872	10	30		FFEERN
CCc1ccccc1-n1cnnc1SCC(=O)NC1(C#N)CCCC1	ZINC000104524616	508337235	/nfs/dbraw/zinc/33/72/35/508337235.db2.gz	UEYVNXLMMBRSEM-UHFFFAOYSA-N	0	0	355.467	2.874	10	30		FFEERN
N#Cc1cnc(N2CCCN(Cc3noc(C4CC4)n3)CC2)c(Cl)c1	ZINC000114709598	508339604	/nfs/dbraw/zinc/33/96/04/508339604.db2.gz	LOTSDXKOWTVJBP-UHFFFAOYSA-N	0	0	358.833	2.579	10	30		FFEERN
C=C[C@H](CC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1)c1ccccc1	ZINC000133569446	508418213	/nfs/dbraw/zinc/41/82/13/508418213.db2.gz	BSBUDNXHWBQJGP-NVXWUHKLSA-N	0	0	354.454	2.943	10	30		FFEERN
C[C@@H](C(=O)Nc1cc(C#N)cn1C(C)(C)C)N1C(=O)c2ccccc2C1=O	ZINC000122497916	508544411	/nfs/dbraw/zinc/54/44/11/508544411.db2.gz	KQCIKRODHWMOKK-LBPRGKRZSA-N	0	0	364.405	2.738	10	30		FFEERN
Cc1cccc(N2CCC(NC(=O)[C@@H](C)Oc3ccccc3C#N)CC2)n1	ZINC000116671071	508544645	/nfs/dbraw/zinc/54/46/45/508544645.db2.gz	RPGSUNFSVYOXKR-MRXNPFEDSA-N	0	0	364.449	2.814	10	30		FFEERN
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1	ZINC000157999045	508643275	/nfs/dbraw/zinc/64/32/75/508643275.db2.gz	MSNGPTGFZLOYLU-IBGZPJMESA-N	0	0	365.433	2.719	10	30		FFEERN
COc1cc(C#N)ccc1OCCN1CCc2c(nc(C(C)C)n2C)C1	ZINC000158020261	508645670	/nfs/dbraw/zinc/64/56/70/508645670.db2.gz	CTYYGUZLPLZGDF-UHFFFAOYSA-N	0	0	354.454	2.861	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1	ZINC000119035482	508711075	/nfs/dbraw/zinc/71/10/75/508711075.db2.gz	AOTQRTGIVVPCQH-JTQLQIEISA-N	0	0	366.318	2.861	10	30		FFEERN
N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1	ZINC000123882956	508753037	/nfs/dbraw/zinc/75/30/37/508753037.db2.gz	AWWHQWXXKWGJNC-UXHICEINSA-N	0	0	370.474	2.976	10	30		FFEERN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccccc1Br	ZINC000124672644	508866975	/nfs/dbraw/zinc/86/69/75/508866975.db2.gz	XLIDTDUTRZMIIE-GHMZBOCLSA-N	0	0	354.248	2.500	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(Cc3cc(F)ccc3C#N)CC2)cn1	ZINC000160023659	508927785	/nfs/dbraw/zinc/92/77/85/508927785.db2.gz	FSUXCGMQPIAWQX-UHFFFAOYSA-N	0	0	355.461	2.967	10	30		FFEERN
C[C@H](C#N)NC(=O)CCc1nc(-c2cc(Br)cs2)no1	ZINC000125094814	508930166	/nfs/dbraw/zinc/93/01/66/508930166.db2.gz	QOURFPVLSIQIIZ-SSDOTTSWSA-N	0	0	355.217	2.521	10	30		FFEERN
COc1ccnc(NC2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)n1	ZINC000191844144	509207969	/nfs/dbraw/zinc/20/79/69/509207969.db2.gz	JNSWUMDXNZWABJ-UHFFFAOYSA-N	0	0	366.425	2.660	10	30		FFEERN
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@H](NC(C)=O)C1	ZINC000191934071	509252534	/nfs/dbraw/zinc/25/25/34/509252534.db2.gz	XBYLQZRXGXAOOM-KRWDZBQOSA-N	0	0	371.481	2.604	10	30		FFEERN
C=C(C)[C@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccc(F)c(F)c1	ZINC000188925270	509326504	/nfs/dbraw/zinc/32/65/04/509326504.db2.gz	DTAPSHANNXNCEU-KRWDZBQOSA-N	0	0	363.408	2.892	10	30		FFEERN
Cc1ccccc1/C=C/C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192134341	509363647	/nfs/dbraw/zinc/36/36/47/509363647.db2.gz	CDBLZBBUORSRET-CTDFXDFQSA-N	0	0	359.429	2.797	10	30		FFEERN
Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@H]2c2nc[nH]n2)c1C	ZINC000182705409	509381679	/nfs/dbraw/zinc/38/16/79/509381679.db2.gz	QXUYDQKIBZYILG-SFHVURJKSA-N	0	0	366.469	2.895	10	30		FFEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1[C@H]1CCCCC1=O	ZINC000248714839	509449972	/nfs/dbraw/zinc/44/99/72/509449972.db2.gz	DXPAXVSERISRCZ-CABCVRRESA-N	0	0	350.415	2.610	10	30		FFEERN
C[C@H]1CN([C@@H](CNC(=O)c2cccc(C#N)c2)c2cccs2)CCO1	ZINC000176580799	509594568	/nfs/dbraw/zinc/59/45/68/509594568.db2.gz	JNLIKUBODRHPQI-YOEHRIQHSA-N	0	0	355.463	2.812	10	30		FFEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000180013393	509710260	/nfs/dbraw/zinc/71/02/60/509710260.db2.gz	MSFOYTWQEMUDTB-GXTWGEPZSA-N	0	0	354.414	2.788	10	30		FFEERN
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1	ZINC000173768753	509765787	/nfs/dbraw/zinc/76/57/87/509765787.db2.gz	DONOMSYNAUWWCG-MOPGFXCFSA-N	0	0	363.417	2.611	10	30		FFEERN
C[C@@H]1CCC[C@](C#N)(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)C1	ZINC000173793950	509781318	/nfs/dbraw/zinc/78/13/18/509781318.db2.gz	IHRLQVOZDKEYNV-QRWLVFNGSA-N	0	0	354.454	2.522	10	30		FFEERN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(c2nc3ccccc3o2)CC1	ZINC000170942127	509859564	/nfs/dbraw/zinc/85/95/64/509859564.db2.gz	XLJUBLJWMOZCOT-MRXNPFEDSA-N	0	0	354.454	2.539	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000189970921	509861217	/nfs/dbraw/zinc/86/12/17/509861217.db2.gz	KYCLQVFGVGENIK-ZFCANOHDSA-N	0	0	366.502	2.977	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCC(c2nc(N(C)C)no2)CC1	ZINC000186770838	509893461	/nfs/dbraw/zinc/89/34/61/509893461.db2.gz	ATHNRGMAKFEHRS-UHFFFAOYSA-N	0	0	356.426	2.720	10	30		FFEERN
COc1cc(F)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1OC	ZINC000183648149	509904805	/nfs/dbraw/zinc/90/48/05/509904805.db2.gz	UKCCWGWXVSZXMX-UHFFFAOYSA-N	0	0	367.340	2.548	10	30		FFEERN
O=C(CON=C1CCCc2nonc21)Nc1ccc(Br)cc1	ZINC000254348364	509905860	/nfs/dbraw/zinc/90/58/60/509905860.db2.gz	INUTWYZPTHNLRK-UHFFFAOYSA-N	0	0	365.187	2.528	10	30		FFEERN
COc1cccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)c1OC	ZINC000254395011	509906172	/nfs/dbraw/zinc/90/61/72/509906172.db2.gz	DEVWDAZDQMORGR-UHFFFAOYSA-N	0	0	354.815	2.670	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)c(Cl)c1	ZINC000183674707	509920790	/nfs/dbraw/zinc/92/07/90/509920790.db2.gz	ZKCUQAIWTOEPIK-UHFFFAOYSA-N	0	0	364.858	2.509	10	30		FFEERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2nc(C(F)(F)F)ccc2C#N)C1	ZINC000190086901	509931587	/nfs/dbraw/zinc/93/15/87/509931587.db2.gz	UHDCRFRRNKXJML-MNOVXSKESA-N	0	0	353.304	2.630	10	30		FFEERN
C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(F)c(Cl)c1	ZINC000171115616	509952308	/nfs/dbraw/zinc/95/23/08/509952308.db2.gz	YIICWLBRVCELII-LLVKDONJSA-N	0	0	359.788	2.958	10	30		FFEERN
Cc1ccc(OC2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)nc1	ZINC000183750255	509959028	/nfs/dbraw/zinc/95/90/28/509959028.db2.gz	IRCTYARBZCSAJQ-UHFFFAOYSA-N	0	0	371.462	2.635	10	30		FFEERN
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)C1	ZINC000183997305	510078422	/nfs/dbraw/zinc/07/84/22/510078422.db2.gz	ZPOIRRSHGSXUCC-LAUBAEHRSA-N	0	0	369.465	2.811	10	30		FFEERN
C=CCCS(=O)(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000245704271	510096483	/nfs/dbraw/zinc/09/64/83/510096483.db2.gz	NWCWKJVFXJNBOW-CZUORRHYSA-N	0	0	360.882	2.967	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2COc3ccccc32)c1	ZINC000171351643	510098807	/nfs/dbraw/zinc/09/88/07/510098807.db2.gz	ZZVVPAFRUJXQTR-KRWDZBQOSA-N	0	0	352.390	2.830	10	30		FFEERN
N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1	ZINC000177527079	510116508	/nfs/dbraw/zinc/11/65/08/510116508.db2.gz	JMTZMMRRYTVAIZ-IBGZPJMESA-N	0	0	373.416	2.994	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1	ZINC000194113050	510221169	/nfs/dbraw/zinc/22/11/69/510221169.db2.gz	RDRYYGPCIOLUDW-UHFFFAOYSA-N	0	0	358.401	2.757	10	30		FFEERN
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](c2nccs2)C1	ZINC000171644377	510272706	/nfs/dbraw/zinc/27/27/06/510272706.db2.gz	CFSCMUHUQFXNSU-AWEZNQCLSA-N	0	0	357.435	2.808	10	30		FFEERN
C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](n2cncn2)C1	ZINC000171703526	510316728	/nfs/dbraw/zinc/31/67/28/510316728.db2.gz	BNLAEXVATXAHKN-OAHLLOKOSA-N	0	0	357.483	2.832	10	30		FFEERN
C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1nnc2n1CCCC2	ZINC000178011037	510374622	/nfs/dbraw/zinc/37/46/22/510374622.db2.gz	BGAVECNDXDZQAS-GFCCVEGCSA-N	0	0	355.446	2.925	10	30		FFEERN
CC(C)(C#N)c1ccc(NC(=O)N2CCN(Cc3ccon3)CC2)cc1	ZINC000174905032	510377157	/nfs/dbraw/zinc/37/71/57/510377157.db2.gz	CKPAEGXZGQYWBZ-UHFFFAOYSA-N	0	0	353.426	2.825	10	30		FFEERN
C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccc2c(c1)OCCO2	ZINC000171826128	510394890	/nfs/dbraw/zinc/39/48/90/510394890.db2.gz	RPOUVESADLJGHK-CQSZACIVSA-N	0	0	352.390	2.780	10	30		FFEERN
CC(C)c1ccc([C@@H](C)NC(=O)NCCNC(=O)C2N=CC=CC2=O)cc1	ZINC000171897968	510437441	/nfs/dbraw/zinc/43/74/41/510437441.db2.gz	QMJMTYZTWCAWML-ORIGZDJFSA-N	0	0	370.453	2.697	10	30		FFEERN
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCOc4ccccc43)CC2)o1	ZINC000187910276	510497313	/nfs/dbraw/zinc/49/73/13/510497313.db2.gz	LKJXSFDILBYKHZ-INIZCTEOSA-N	0	0	366.421	2.711	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCc1ccc(OCC#N)cc1	ZINC000172074695	510530918	/nfs/dbraw/zinc/53/09/18/510530918.db2.gz	DVFZGSLGEZIUAJ-SFHVURJKSA-N	0	0	367.453	2.986	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000188058273	510571225	/nfs/dbraw/zinc/57/12/25/510571225.db2.gz	GFXSXZPXPDGPHQ-HXUWFJFHSA-N	0	0	350.503	2.856	10	30		FFEERN
C=CCOCCCC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1	ZINC000246641581	510597518	/nfs/dbraw/zinc/59/75/18/510597518.db2.gz	BLVOFCKIEVUACC-JKSUJKDBSA-N	0	0	352.500	2.609	10	30		FFEERN
C=CCCO[C@H](C)C(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1	ZINC000246700268	510623783	/nfs/dbraw/zinc/62/37/83/510623783.db2.gz	FDFMFXAVFOLOCZ-BZUAXINKSA-N	0	0	352.500	2.607	10	30		FFEERN
N#Cc1cccc(OC2CCN(C(=O)c3ccc4c(c3)NC(=O)C4)CC2)c1	ZINC000188282313	510687532	/nfs/dbraw/zinc/68/75/32/510687532.db2.gz	GXLFNRBFTRFXOI-UHFFFAOYSA-N	0	0	361.401	2.736	10	30		FFEERN
C[C@@H]1CN([C@H](CNC(=O)c2ccc(C#N)cc2)c2cccs2)CCO1	ZINC000246818395	510691474	/nfs/dbraw/zinc/69/14/74/510691474.db2.gz	KMIXXXSHKRHMBG-RHSMWYFYSA-N	0	0	355.463	2.812	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1	ZINC000191549671	510717374	/nfs/dbraw/zinc/71/73/74/510717374.db2.gz	XZPINOSIIHNZGE-AIADIJKESA-N	0	0	363.392	2.628	10	30		FFEERN
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000247580726	510866388	/nfs/dbraw/zinc/86/63/88/510866388.db2.gz	YKEZKXIAPIJEDH-GXTWGEPZSA-N	0	0	357.845	2.762	10	30		FFEERN
CCc1nccn1[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000247779096	510870324	/nfs/dbraw/zinc/87/03/24/510870324.db2.gz	RLEKSXGVSYBLQP-QAPCUYQASA-N	0	0	351.454	2.981	10	30		FFEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)c2c(C)nn(C)c2-n2ccnc2C)C1	ZINC000330003748	510898731	/nfs/dbraw/zinc/89/87/31/510898731.db2.gz	AMWILPKFPMYRSL-OAHLLOKOSA-N	0	0	372.473	2.584	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cs1	ZINC000330278041	510955194	/nfs/dbraw/zinc/95/51/94/510955194.db2.gz	PBVJQIBDTNZOKY-KMFMINBZSA-N	0	0	351.472	2.841	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](C)NC(=O)C2CCCCC2)C1	ZINC000330350314	510971736	/nfs/dbraw/zinc/97/17/36/510971736.db2.gz	KXWIIFNCEAYIOY-BYCMXARLSA-N	0	0	364.446	2.592	10	30		FFEERN
N#Cc1cc(I)cc(I)c1F	ZINC000307106797	511766203	/nfs/dbraw/zinc/76/62/03/511766203.db2.gz	KGEVQHJIRSMFCD-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
Cc1nc(C)c(NC(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)s1	ZINC000328628148	511900407	/nfs/dbraw/zinc/90/04/07/511900407.db2.gz	NKDVVZWESNPCBA-LLVKDONJSA-N	0	0	351.432	2.885	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CCN1CC(F)(F)F	ZINC000328738884	511924513	/nfs/dbraw/zinc/92/45/13/511924513.db2.gz	KYMCZRJNTDJCQI-VXGBXAGGSA-N	0	0	362.396	2.510	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)CN1c3ccccc3O[C@H](C)C1=O)CCC2	ZINC000328845622	511939858	/nfs/dbraw/zinc/93/98/58/511939858.db2.gz	VIRRUAXQHDDILE-CABCVRRESA-N	0	0	368.437	2.840	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)C[C@H]21	ZINC000328871323	511943353	/nfs/dbraw/zinc/94/33/53/511943353.db2.gz	IIASVYZYUYECRU-JFIYKMOQSA-N	0	0	359.470	2.608	10	30		FFEERN
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)C1	ZINC000328899690	511947885	/nfs/dbraw/zinc/94/78/85/511947885.db2.gz	XPVIVZMUQUQHHQ-IIAWOOMASA-N	0	0	350.463	2.876	10	30		FFEERN
C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000328979063	511960497	/nfs/dbraw/zinc/96/04/97/511960497.db2.gz	XGTLJOYXJXUDMK-KBAYOESNSA-N	0	0	370.497	2.759	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1)CCC2	ZINC000329090974	511980351	/nfs/dbraw/zinc/98/03/51/511980351.db2.gz	WSFQLHFVQIRVSD-CGTJXYLNSA-N	0	0	372.444	2.930	10	30		FFEERN
Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1F)CCNC2=O	ZINC000329090178	511981158	/nfs/dbraw/zinc/98/11/58/511981158.db2.gz	WIRXROCPKBGMCE-IUODEOHRSA-N	0	0	358.373	2.786	10	30		FFEERN
CC[C@@H]1CCc2nc(NC(=O)N3CC[C@H]4OCCN(C)[C@@H]4C3)sc2C1	ZINC000329123414	511987208	/nfs/dbraw/zinc/98/72/08/511987208.db2.gz	LKVDEQWWZYHZGG-BPLDGKMQSA-N	0	0	364.515	2.608	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(C(=O)NCCOC3CCCCC3)C2)no1	ZINC000329171911	511998585	/nfs/dbraw/zinc/99/85/85/511998585.db2.gz	KGYOCGONPLHMAG-HNNXBMFYSA-N	0	0	350.463	2.896	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CCC[C@H](C)[C@@H]2C)on1	ZINC000329250258	512014208	/nfs/dbraw/zinc/01/42/08/512014208.db2.gz	UFBLFLJXAVTLSJ-TUUVXOQKSA-N	0	0	352.454	2.930	10	30		FFEERN
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1F	ZINC000329546346	512067624	/nfs/dbraw/zinc/06/76/24/512067624.db2.gz	ICPVUAFWLXFPFB-OXXUSNJHSA-N	0	0	350.434	2.971	10	30		FFEERN
Cc1nnc([C@@H]2CN([C@H](C)C(=O)Nc3ccc(F)cc3Cl)CCO2)[nH]1	ZINC000329737036	512092437	/nfs/dbraw/zinc/09/24/37/512092437.db2.gz	LVWVSMJQQCWXHZ-OTYXRUKQSA-N	0	0	367.812	2.956	10	30		FFEERN
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCN2c2cccnn2)C1	ZINC000329767452	512094925	/nfs/dbraw/zinc/09/49/25/512094925.db2.gz	ZOEQPYAICDYPSX-ULQDDVLXSA-N	0	0	373.501	2.687	10	30		FFEERN
CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329848477	512103882	/nfs/dbraw/zinc/10/38/82/512103882.db2.gz	RLJLFORLBOQWJE-JFIYKMOQSA-N	0	0	357.454	2.788	10	30		FFEERN
N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F	ZINC000408002286	512982389	/nfs/dbraw/zinc/98/23/89/512982389.db2.gz	FFQMHMLXPJNWGK-CPCISQLKSA-N	0	0	365.199	2.698	10	30		FFEERN
Cc1c(Cl)cc(S(=O)(=O)N2CCSC[C@@H]2C#N)cc1Cl	ZINC000408101071	512999192	/nfs/dbraw/zinc/99/91/92/512999192.db2.gz	ZIRSRLYWFVEIOF-VIFPVBQESA-N	0	0	351.280	2.932	10	30		FFEERN
CC(C)(O)[C@@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000408212459	513021825	/nfs/dbraw/zinc/02/18/25/513021825.db2.gz	WRUMJQCWEHBMNS-YJBOKZPZSA-N	0	0	374.460	2.611	10	30		FFEERN
CO[C@]1(C)CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000408288758	513039248	/nfs/dbraw/zinc/03/92/48/513039248.db2.gz	ZXBKXRPIESLEQV-OXQOHEQNSA-N	0	0	374.460	2.877	10	30		FFEERN
COC(=O)c1c(I)cc(C#N)cc1OC(F)F	ZINC000575386329	518208593	/nfs/dbraw/zinc/20/85/93/518208593.db2.gz	OVRWUCAAATZUKM-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)c1cc(C#N)c(OC(F)F)cc1I	ZINC000575386511	518209007	/nfs/dbraw/zinc/20/90/07/518209007.db2.gz	WAOSZPNTCIPNOT-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
N#CCc1ccc(I)c(OC(F)F)c1[N+](=O)[O-]	ZINC000575665511	518245721	/nfs/dbraw/zinc/24/57/21/518245721.db2.gz	DTOLFYRIHSXGGK-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
CC(=O)n1cc(Oc2ccc(C#N)cc2)c([C@@H]2CCCN(C(C)=O)C2)n1	ZINC000584599216	518414478	/nfs/dbraw/zinc/41/44/78/518414478.db2.gz	VKXUHULPCLWQTP-MRXNPFEDSA-N	0	0	352.394	2.933	10	30		FFEERN
O=C(NCCC1=CCCC1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1	ZINC000328620638	527585542	/nfs/dbraw/zinc/58/55/42/527585542.db2.gz	HESGJSYPSPJUSW-GOSISDBHSA-N	0	0	371.485	2.865	10	30		FFEERN
C=C(Br)CNC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000182488388	729279607	/nfs/dbraw/zinc/27/96/07/729279607.db2.gz	HFEVBLUNSUHTMC-LBPRGKRZSA-N	0	0	368.279	2.760	10	30		FFEERN
O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)N[C@@H]1CCCCC[C@H]1O	ZINC000329401955	729797444	/nfs/dbraw/zinc/79/74/44/729797444.db2.gz	YJBUUZUZTPZLEI-IXDOHACOSA-N	0	0	351.491	2.507	10	30		FFEERN
C[C@H]1Cc2cc(S(=O)(=O)N3C[C@@H](c4ccccc4)[C@H](C#N)C3)ccc2O1	ZINC000330204315	971076108	/nfs/dbraw/zinc/07/61/08/971076108.db2.gz	CQKSCUSYGMTXTP-YJLNNSPDSA-N	0	0	368.458	2.938	10	30		FFEERN
Cc1ccn2cc(CNC(=O)N3CCC(Cn4cccn4)CC3)nc2c1	ZINC000329649535	967915633	/nfs/dbraw/zinc/91/56/33/967915633.db2.gz	BWDIHLWEDKFIJE-UHFFFAOYSA-N	0	0	352.442	2.665	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)OCc3c(C)nn(C)c3Cl)cc2C1=O	ZINC000109366695	980170841	/nfs/dbraw/zinc/17/08/41/980170841.db2.gz	HUZJFDWMWILLGS-UHFFFAOYSA-N	0	0	373.796	2.521	10	30		FFEERN
C=CCN(CC=C)C(=O)Cn1c(CNC(=O)C(C)C)nc2ccccc21	ZINC000040274916	206659076	/nfs/dbraw/zinc/65/90/76/206659076.db2.gz	VIRILZDRPAMAJV-UHFFFAOYSA-N	0	0	354.454	2.509	10	30		FFEERN
CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000103317854	250146290	/nfs/dbraw/zinc/14/62/90/250146290.db2.gz	GUHXBDYBIYJCLF-ZWKOTPCHSA-N	0	0	355.486	3.000	10	30		FFEERN
CC(C)[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000103317852	250146486	/nfs/dbraw/zinc/14/64/86/250146486.db2.gz	GUHXBDYBIYJCLF-MSOLQXFVSA-N	0	0	355.486	3.000	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1	ZINC000119035401	250424863	/nfs/dbraw/zinc/42/48/63/250424863.db2.gz	AOTQRTGIVVPCQH-SNVBAGLBSA-N	0	0	366.318	2.861	10	30		FFEERN
CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2)C12CCCC2	ZINC000119084213	250430801	/nfs/dbraw/zinc/43/08/01/250430801.db2.gz	BXNKUPHRLDSOIR-DLBZAZTESA-N	0	0	355.438	2.693	10	30		FFEERN
C#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1	ZINC000105571482	206731535	/nfs/dbraw/zinc/73/15/35/206731535.db2.gz	CEDSAQVDEFFDDD-UHFFFAOYSA-N	0	0	354.431	2.705	10	30		FFEERN
Cc1ccc([C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)o1	ZINC000162939210	251161423	/nfs/dbraw/zinc/16/14/23/251161423.db2.gz	PZZMCWSXGJGTTN-INIZCTEOSA-N	0	0	373.796	2.652	10	30		FFEERN
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1	ZINC000010099622	207294631	/nfs/dbraw/zinc/29/46/31/207294631.db2.gz	KCCHNLDBRVSKOO-UHFFFAOYSA-N	0	0	361.448	2.655	10	30		FFEERN
COc1cc(/C=N/NC(=S)N[C@H]2C[C@H]3C[C@@H]2[C@@H]2C=CC[C@@H]32)ccc1O	ZINC000013657700	207474794	/nfs/dbraw/zinc/47/47/94/207474794.db2.gz	NTMXTSMAUQTNMD-XQKWHCMGSA-N	0	0	357.479	2.800	10	30		FFEERN
CC(=O)c1ccc(C#N)c(N2CCCN(Cc3noc(C4CC4)n3)CC2)c1	ZINC000302135223	258090443	/nfs/dbraw/zinc/09/04/43/258090443.db2.gz	ZPTKLCBGRMOZBR-UHFFFAOYSA-N	0	0	365.437	2.734	10	30		FFEERN
N#Cc1nc(Sc2nnnn2-c2ccc(Cl)cc2)ccc1[N+](=O)[O-]	ZINC000302682666	258108030	/nfs/dbraw/zinc/10/80/30/258108030.db2.gz	AIFMEJOYHHPSAJ-UHFFFAOYSA-N	0	0	359.758	2.642	10	30		FFEERN
Cc1sc2ncnc(N3CCN(c4ncccc4C#N)CC3)c2c1C	ZINC000105357770	132238637	/nfs/dbraw/zinc/23/86/37/132238637.db2.gz	NNICHSGUEPUDNL-UHFFFAOYSA-N	0	0	350.451	2.901	10	30		FFEERN
C=CCNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-]	ZINC000040598536	132301170	/nfs/dbraw/zinc/30/11/70/132301170.db2.gz	CAQFXFUTZBFMNE-UHFFFAOYSA-N	0	0	374.832	2.963	10	30		FFEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1	ZINC000052921135	506280513	/nfs/dbraw/zinc/28/05/13/506280513.db2.gz	CJLAWYHZBRQFIS-CRAIPNDOSA-N	0	0	362.495	2.946	10	30		FFEERN
N#Cc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1	ZINC000045212864	506933686	/nfs/dbraw/zinc/93/36/86/506933686.db2.gz	IXVNPINGEOGUBL-UHFFFAOYSA-N	0	0	365.408	2.866	10	30		FFEERN
C=CCN(Cc1ccccc1)C(=O)NC1CCN(c2ncccn2)CC1	ZINC000045711159	507005848	/nfs/dbraw/zinc/00/58/48/507005848.db2.gz	PNAKUJAXJDDGSH-UHFFFAOYSA-N	0	0	351.454	2.843	10	30		FFEERN
CCc1nc(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)cs1	ZINC000107868292	507871294	/nfs/dbraw/zinc/87/12/94/507871294.db2.gz	DNMFWVQIGDMTBS-UHFFFAOYSA-N	0	0	372.450	2.619	10	30		FFEERN
CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)NC(=O)c2ccco2)cc1	ZINC000108808254	507919511	/nfs/dbraw/zinc/91/95/11/507919511.db2.gz	KEUPDZRYAUPFJC-CQSZACIVSA-N	0	0	355.394	2.743	10	30		FFEERN
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@H](C#N)C2CC2)cc1	ZINC000108841270	507921293	/nfs/dbraw/zinc/92/12/93/507921293.db2.gz	FPJMCSHELYLESC-QGZVFWFLSA-N	0	0	363.483	2.529	10	30		FFEERN
CCc1ccc([C@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1	ZINC000091190060	507964172	/nfs/dbraw/zinc/96/41/72/507964172.db2.gz	RPIWNYQWWVHBKS-ZDUSSCGKSA-N	0	0	367.453	2.888	10	30		FFEERN
C=CCn1c(SCC(=O)N[C@H](C)C#N)nnc1-c1ccc(Cl)cc1	ZINC000110666908	508040350	/nfs/dbraw/zinc/04/03/50/508040350.db2.gz	BTRBJZYFMHXCST-LLVKDONJSA-N	0	0	361.858	2.905	10	30		FFEERN
C[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1(Cl)Cl	ZINC000074682455	508047394	/nfs/dbraw/zinc/04/73/94/508047394.db2.gz	FIVZCUHCMICAOR-GDBMZVCRSA-N	0	0	352.265	2.807	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N1CCC[C@H](NC(=O)CCC)C1	ZINC000111886249	508134020	/nfs/dbraw/zinc/13/40/20/508134020.db2.gz	QETDILOGTQJSRK-KRWDZBQOSA-N	0	0	359.470	2.842	10	30		FFEERN
CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCc2ccc(C#N)cc2)CC1	ZINC000101784924	508256843	/nfs/dbraw/zinc/25/68/43/508256843.db2.gz	QJNNKRGCPYOZLR-OAHLLOKOSA-N	0	0	356.470	2.641	10	30		FFEERN
C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCc2nc(CC)nn2C1	ZINC000114977330	508364108	/nfs/dbraw/zinc/36/41/08/508364108.db2.gz	NLROGQLOBMAGAO-KRWDZBQOSA-N	0	0	353.470	2.596	10	30		FFEERN
CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000105721981	508382354	/nfs/dbraw/zinc/38/23/54/508382354.db2.gz	DKOHZJXXIVATDA-CQSZACIVSA-N	0	0	374.460	2.780	10	30		FFEERN
CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O	ZINC000105816164	508384593	/nfs/dbraw/zinc/38/45/93/508384593.db2.gz	GTTYTSMXEOJSSD-JSUXISIESA-N	0	0	364.445	2.818	10	30		FFEERN
Cc1ccc(N2CCC(NS(=O)(=O)c3cccc(C)c3C#N)CC2)nc1	ZINC000121868983	508436048	/nfs/dbraw/zinc/43/60/48/508436048.db2.gz	JEKKZTCKTUKNSD-UHFFFAOYSA-N	0	0	370.478	2.517	10	30		FFEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1	ZINC000116211881	508486769	/nfs/dbraw/zinc/48/67/69/508486769.db2.gz	AUJNBRNTUVMEAC-MRXNPFEDSA-N	0	0	360.435	2.721	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1	ZINC000134368473	508525326	/nfs/dbraw/zinc/52/53/26/508525326.db2.gz	ABCJNFIPNUAOII-CRAIPNDOSA-N	0	0	355.438	2.571	10	30		FFEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)C2)n1	ZINC000116781915	508560373	/nfs/dbraw/zinc/56/03/73/508560373.db2.gz	OZNAZGIKQOMAHN-KRWDZBQOSA-N	0	0	369.494	2.798	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)cc1OC	ZINC000135701926	508642162	/nfs/dbraw/zinc/64/21/62/508642162.db2.gz	BKRFZQPATDPDLI-KRWDZBQOSA-N	0	0	354.406	2.949	10	30		FFEERN
C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1Br	ZINC000123192014	508650140	/nfs/dbraw/zinc/65/01/40/508650140.db2.gz	GEFHHJOYLSCCQC-BDJLRTHQSA-N	0	0	350.260	2.908	10	30		FFEERN
C=C[C@H](CC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1)c1ccccc1	ZINC000136574199	508701128	/nfs/dbraw/zinc/70/11/28/508701128.db2.gz	STLJCNASEXZSSR-SJLPKXTDSA-N	0	0	365.481	2.963	10	30		FFEERN
CCc1nnc([C@@H]2CN(Cc3cccc(OCCCC#N)c3)CCO2)[nH]1	ZINC000129241630	508702805	/nfs/dbraw/zinc/70/28/05/508702805.db2.gz	MFSYYUWGJIXTBJ-KRWDZBQOSA-N	0	0	355.442	2.623	10	30		FFEERN
CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2C#N)C12CCCC2	ZINC000119078376	508720896	/nfs/dbraw/zinc/72/08/96/508720896.db2.gz	LOILAYMZOLDYGE-DLBZAZTESA-N	0	0	373.428	2.832	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N[C@H](C)c1nnc2n1CCCC2	ZINC000123736963	508731311	/nfs/dbraw/zinc/73/13/11/508731311.db2.gz	JNHZQEMAHLBVTK-CQSZACIVSA-N	0	0	355.442	2.740	10	30		FFEERN
C[C@H](C#N)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1	ZINC000125146459	508938498	/nfs/dbraw/zinc/93/84/98/508938498.db2.gz	KFVFDBYVPQZLAJ-SECBINFHSA-N	0	0	360.215	2.549	10	30		FFEERN
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](Oc2cccnc2)C1	ZINC000160655045	509015199	/nfs/dbraw/zinc/01/51/99/509015199.db2.gz	JHCBYGDCOJKHCV-GOSISDBHSA-N	0	0	351.406	2.791	10	30		FFEERN
O=C(Nc1ccccc1C#Cc1ccccc1)N[C@H]1CCc2ncnn2C1	ZINC000132654622	509057597	/nfs/dbraw/zinc/05/75/97/509057597.db2.gz	BCLMDDOYYADAEG-SFHVURJKSA-N	0	0	357.417	2.814	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cc1cccc(OCC#N)c1	ZINC000126629312	509104613	/nfs/dbraw/zinc/10/46/13/509104613.db2.gz	CEOOSXXJUAILDX-GOSISDBHSA-N	0	0	352.438	2.846	10	30		FFEERN
N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@H](N2CCOCC2)C1	ZINC000172757482	509217355	/nfs/dbraw/zinc/21/73/55/509217355.db2.gz	UIFOITFAYCKWLI-GOSISDBHSA-N	0	0	361.445	2.772	10	30		FFEERN
CC1(C)OC(=O)C([C@H]2C(=O)C=C[C@@H]2Nc2ccc(F)cc2F)C(=O)O1	ZINC000198711456	509229833	/nfs/dbraw/zinc/22/98/33/509229833.db2.gz	LFSYXPOCJHOWRG-WCQYABFASA-N	0	0	351.305	2.580	10	30		FFEERN
CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(OCC#N)cc1	ZINC000176392724	509483469	/nfs/dbraw/zinc/48/34/69/509483469.db2.gz	NBSWFEDUJYLJJD-MRXNPFEDSA-N	0	0	368.441	2.638	10	30		FFEERN
CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000186025613	509487440	/nfs/dbraw/zinc/48/74/40/509487440.db2.gz	OBEOFIXOKPVSAO-OAHLLOKOSA-N	0	0	368.441	2.950	10	30		FFEERN
Cn1cc([C@H]2CCCN2CC(=O)Nc2ccccc2SCC#N)cn1	ZINC000173318418	509528018	/nfs/dbraw/zinc/52/80/18/509528018.db2.gz	NVZBEHFPXPRPDO-MRXNPFEDSA-N	0	0	355.467	2.811	10	30		FFEERN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1c1noc(C(C)C)n1	ZINC000173722669	509740272	/nfs/dbraw/zinc/74/02/72/509740272.db2.gz	GBRNJFMFGKCVAX-AWEZNQCLSA-N	0	0	360.439	2.899	10	30		FFEERN
COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	ZINC000170756309	509757336	/nfs/dbraw/zinc/75/73/36/509757336.db2.gz	DFNPDIMPMPCRFV-ROUUACIJSA-N	0	0	350.374	2.885	10	30		FFEERN
C=C(C)COc1cc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)ccc1OC	ZINC000180119303	509761294	/nfs/dbraw/zinc/76/12/94/509761294.db2.gz	UBUFTUHZPKLUNY-GOSISDBHSA-N	0	0	358.442	2.650	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1	ZINC000180161731	509784921	/nfs/dbraw/zinc/78/49/21/509784921.db2.gz	ATTFPNLUXFNPSO-CZUORRHYSA-N	0	0	354.859	2.527	10	30		FFEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@H](c2nc(C)cs2)C1	ZINC000177033410	509828735	/nfs/dbraw/zinc/82/87/35/509828735.db2.gz	XNJDBUCSQWOFDI-HOTGVXAUSA-N	0	0	357.435	2.611	10	30		FFEERN
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[C@H](N2CCOCC2)C1	ZINC000173975923	509883569	/nfs/dbraw/zinc/88/35/69/509883569.db2.gz	RHZFLQRAVQAWNO-ZDUSSCGKSA-N	0	0	360.820	2.810	10	30		FFEERN
CCn1cnnc1C1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1	ZINC000177143998	509900241	/nfs/dbraw/zinc/90/02/41/509900241.db2.gz	GGQFIARPKRUUFY-UHFFFAOYSA-N	0	0	372.498	2.666	10	30		FFEERN
COc1ccc(CN2C(=O)C[C@@H](C(N)=O)SC2=Nc2ccccc2)cc1	ZINC000254508743	509907353	/nfs/dbraw/zinc/90/73/53/509907353.db2.gz	UUZDVRXJIDGFSP-INIZCTEOSA-N	0	0	369.446	2.702	10	30		FFEERN
O=S(=O)(NN=Cc1cccc(O)c1O)c1cc(Cl)ccc1Cl	ZINC000254851631	509910512	/nfs/dbraw/zinc/91/05/12/509910512.db2.gz	QBPBKKQOXMHPRH-UHFFFAOYSA-N	0	0	361.206	2.717	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)C2)no1	ZINC000171232963	510024597	/nfs/dbraw/zinc/02/45/97/510024597.db2.gz	PJCDVOOEISPCAG-HNNXBMFYSA-N	0	0	356.451	2.823	10	30		FFEERN
Cc1cccc(NC(=O)C(=O)N2CCC[C@H](c3nccs3)C2)c1C#N	ZINC000177513239	510107111	/nfs/dbraw/zinc/10/71/11/510107111.db2.gz	KNGUMFYZPPGORW-ZDUSSCGKSA-N	0	0	354.435	2.668	10	30		FFEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OCC)C1	ZINC000171368937	510110867	/nfs/dbraw/zinc/11/08/67/510110867.db2.gz	HJRRSSFHTWIAKC-OAHLLOKOSA-N	0	0	358.442	2.870	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3C#N)C2)no1	ZINC000171405658	510137398	/nfs/dbraw/zinc/13/73/98/510137398.db2.gz	ZBWXFNBXHSVHQQ-ZDUSSCGKSA-N	0	0	373.844	2.796	10	30		FFEERN
Cc1ccc([C@@H](CNC(=O)c2cc(C#N)cs2)N2CCOCC2)s1	ZINC000177620641	510166091	/nfs/dbraw/zinc/16/60/91/510166091.db2.gz	VKJXBNUFVFAKKL-CQSZACIVSA-N	0	0	361.492	2.793	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)cc1	ZINC000171512585	510200694	/nfs/dbraw/zinc/20/06/94/510200694.db2.gz	KAIMJQPAOFPMOO-KRWDZBQOSA-N	0	0	353.426	2.705	10	30		FFEERN
C=CCNC(=O)CNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1	ZINC000181172750	510291913	/nfs/dbraw/zinc/29/19/13/510291913.db2.gz	WHWJYRCODWOXKU-HNNXBMFYSA-N	0	0	355.360	2.758	10	30		FFEERN
CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2F)C12CCCC2	ZINC000190819748	510358499	/nfs/dbraw/zinc/35/84/99/510358499.db2.gz	PGGAVDCYSSPHBP-SJORKVTESA-N	0	0	373.428	2.832	10	30		FFEERN
CN(C)c1noc([C@@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)n1	ZINC000194439214	510364478	/nfs/dbraw/zinc/36/44/78/510364478.db2.gz	QOFSPHZWXADFHU-CQSZACIVSA-N	0	0	371.466	2.771	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cn1	ZINC000184648374	510438633	/nfs/dbraw/zinc/43/86/33/510438633.db2.gz	BPYGUQRCKLVQMB-INIZCTEOSA-N	0	0	362.397	2.621	10	30		FFEERN
CCc1nc(C2(NC(=O)Cc3ccc(OCC#N)cc3)CCCC2)no1	ZINC000175131835	510497484	/nfs/dbraw/zinc/49/74/84/510497484.db2.gz	WRTPOXDUWRSWJH-UHFFFAOYSA-N	0	0	354.410	2.663	10	30		FFEERN
C=CC[C@@H](C)[C@@H](C)Nc1cccc(S(=O)(=O)N2CCC(O)CC2)c1	ZINC000188093592	510589021	/nfs/dbraw/zinc/58/90/21/510589021.db2.gz	NKPIVUBGQJHURS-HUUCEWRRSA-N	0	0	352.500	2.845	10	30		FFEERN
Cn1cc(CN2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1C#N	ZINC000191329181	510607674	/nfs/dbraw/zinc/60/76/74/510607674.db2.gz	YLJVEZMNVUDDFM-UHFFFAOYSA-N	0	0	358.449	2.676	10	30		FFEERN
C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(-c2ncon2)c1	ZINC000172538292	510779867	/nfs/dbraw/zinc/77/98/67/510779867.db2.gz	XXLQIDRBWDULIH-UHFFFAOYSA-N	0	0	362.389	2.890	10	30		FFEERN
Cc1csc([C@@H]2CN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CCO2)n1	ZINC000195393761	510811198	/nfs/dbraw/zinc/81/11/98/510811198.db2.gz	RIQOWSCKTNIKGI-BBRMVZONSA-N	0	0	356.451	2.724	10	30		FFEERN
CNC(=O)[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(C)C	ZINC000178867510	510812103	/nfs/dbraw/zinc/81/21/03/510812103.db2.gz	RFIHPRNTRIVIGO-LJQANCHMSA-N	0	0	365.433	2.638	10	30		FFEERN
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1	ZINC000329976897	510890826	/nfs/dbraw/zinc/89/08/26/510890826.db2.gz	FTCVMMUORTXRMS-WZTLGTBRSA-N	0	0	372.400	2.578	10	30		FFEERN
Cc1cccc(NC(=O)[C@@H](C)N2CC(S(=O)(=O)NC3CCCC3)C2)c1	ZINC000330081299	510912698	/nfs/dbraw/zinc/91/26/98/510912698.db2.gz	PMBORVYSXUNZJD-CQSZACIVSA-N	0	0	365.499	2.518	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC(OC2CCCC2)CC1	ZINC000330205752	510938019	/nfs/dbraw/zinc/93/80/19/510938019.db2.gz	CQWZLVMKPPKBEY-IAGOWNOFSA-N	0	0	372.531	2.680	10	30		FFEERN
Cc1noc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)C2CCOCC2)n1	ZINC000328619483	511894676	/nfs/dbraw/zinc/89/46/76/511894676.db2.gz	FVWWDSVMOFYINJ-FZKQIMNGSA-N	0	0	356.426	2.926	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@H](c3cccc(O)c3)C1)CCC2	ZINC000328645888	511906334	/nfs/dbraw/zinc/90/63/34/511906334.db2.gz	GQMHXOYAIBOCCA-WMZOPIPTSA-N	0	0	370.453	2.762	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N(CCO)[C@@H]1CCc3ccccc31)CCC2	ZINC000328645062	511906450	/nfs/dbraw/zinc/90/64/50/511906450.db2.gz	GFVRZQJHBAVQGP-PKOBYXMFSA-N	0	0	368.481	2.965	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H]3CCC(=O)NC34CCC4)C2)no1	ZINC000328689380	511914989	/nfs/dbraw/zinc/91/49/89/511914989.db2.gz	IAGBODWHSIFPPM-KBPBESRZSA-N	0	0	361.446	2.588	10	30		FFEERN
C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1	ZINC000328707965	511918878	/nfs/dbraw/zinc/91/88/78/511918878.db2.gz	MAGUSJKZAXZMQO-BZSOYRFXSA-N	0	0	371.481	2.883	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCN([C@H](C)C(F)(F)F)CC1)CCC2	ZINC000328717277	511919951	/nfs/dbraw/zinc/91/99/51/511919951.db2.gz	PGXJNYCAARSSNH-KGLIPLIRSA-N	0	0	373.423	2.551	10	30		FFEERN
Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccccc2)C1	ZINC000328931011	511952275	/nfs/dbraw/zinc/95/22/75/511952275.db2.gz	HSOLGDUSINDMEA-CGTJXYLNSA-N	0	0	354.454	2.981	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)Nc2cc(Br)ccn2)no1	ZINC000329029898	511971154	/nfs/dbraw/zinc/97/11/54/511971154.db2.gz	KYKRVAIIFPNQIO-JTQLQIEISA-N	0	0	352.192	2.918	10	30		FFEERN
CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C12CCCC2	ZINC000329135581	511991569	/nfs/dbraw/zinc/99/15/69/511991569.db2.gz	GLROUVRFAFOAPX-SFNKJDCFSA-N	0	0	366.502	2.908	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)cn1	ZINC000329161340	511996398	/nfs/dbraw/zinc/99/63/98/511996398.db2.gz	FNOWXWRTOOGDAX-QLFBSQMISA-N	0	0	374.407	2.964	10	30		FFEERN
CCCC1CCC(NC(=O)N2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)CC1	ZINC000329260723	512016087	/nfs/dbraw/zinc/01/60/87/512016087.db2.gz	YZCRVFRRZDFWOW-FOIPXRHGSA-N	0	0	365.518	2.971	10	30		FFEERN
CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)CC2	ZINC000329289574	512021760	/nfs/dbraw/zinc/02/17/60/512021760.db2.gz	QCXHGPVWTUAYFT-HIFRSBDPSA-N	0	0	374.407	2.541	10	30		FFEERN
CCC[C@@H]1[C@H](C)CCCN1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C	ZINC000329337763	512029491	/nfs/dbraw/zinc/02/94/91/512029491.db2.gz	MRBADZJTPLDBLX-ATNYBXOESA-N	0	0	361.490	2.507	10	30		FFEERN
O=C(N[C@@H]1CCc2ncnn2C1)C1CCN(C(=O)Nc2ccccc2)CC1	ZINC000329465005	512051624	/nfs/dbraw/zinc/05/16/24/512051624.db2.gz	VGRVMTSSSVCSCT-MRXNPFEDSA-N	0	0	368.441	2.507	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CCOc3ccccc31)CCC2	ZINC000329517960	512061858	/nfs/dbraw/zinc/06/18/58/512061858.db2.gz	NIWIVXBPOUQIPF-IAGOWNOFSA-N	0	0	370.453	2.934	10	30		FFEERN
CCN1CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1=O	ZINC000329563636	512070729	/nfs/dbraw/zinc/07/07/29/512070729.db2.gz	GUPCNYWUAXHULK-INIZCTEOSA-N	0	0	357.454	2.901	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N3CC4(CCC4)[C@H]3C3CC3)C2)nn1	ZINC000329617477	512077385	/nfs/dbraw/zinc/07/73/85/512077385.db2.gz	FWRRSDFSEGYZBE-FUHWJXTLSA-N	0	0	355.486	2.932	10	30		FFEERN
CC(=O)N1C[C@H](CCC(=O)N[C@@H]2CCN(C(C)C)C2=O)c2ccccc21	ZINC000329612192	512077618	/nfs/dbraw/zinc/07/76/18/512077618.db2.gz	KAKFGCCARXCZCR-DOTOQJQBSA-N	0	0	357.454	2.883	10	30		FFEERN
Cc1nc([C@@H]2CCCN(C(=O)NCc3nnc4n3CCC4)C2)sc1C	ZINC000329732845	512092274	/nfs/dbraw/zinc/09/22/74/512092274.db2.gz	JEDHMVFOBSVDAN-CYBMUJFWSA-N	0	0	360.487	2.591	10	30		FFEERN
C[C@@H]1CC(CNC(=O)N2CCSC[C@@H]2c2cnn(C)c2)C[C@@H](C)O1	ZINC000329805983	512099151	/nfs/dbraw/zinc/09/91/51/512099151.db2.gz	NOALAUJKBDDQDH-XJKCOSOUSA-N	0	0	352.504	2.628	10	30		FFEERN
N#CC1(CS(=O)(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)CCCCC1	ZINC000408025684	512986586	/nfs/dbraw/zinc/98/65/86/512986586.db2.gz	AYCPBBSNTSZHSA-IRXDYDNUSA-N	0	0	366.458	2.737	10	30		FFEERN
COC(=O)c1cc(I)cc(OC(F)F)c1C#N	ZINC000575385869	518207994	/nfs/dbraw/zinc/20/79/94/518207994.db2.gz	BXGWDJHZXVXTFT-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)Cc1cc(C(F)F)cc(C#N)c1I	ZINC000575389267	518208924	/nfs/dbraw/zinc/20/89/24/518208924.db2.gz	ISQITCAMHSFRRU-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COc1cccc(C(=O)CSc2nc(N=NCc3ccco3)n[nH]2)c1	ZINC000006248364	525786074	/nfs/dbraw/zinc/78/60/74/525786074.db2.gz	LJQPWDRGSWGQBU-RQZCQDPDSA-N	0	0	357.395	2.827	10	30		FFEERN
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C(=O)N1CCCC1	ZINC000155452433	728829197	/nfs/dbraw/zinc/82/91/97/728829197.db2.gz	PWYQUUXJJGPBPW-RBSFLKMASA-N	0	0	361.239	2.884	10	30		FFEERN
CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)Nc1cc(F)cc(F)c1	ZINC000010850328	727807513	/nfs/dbraw/zinc/80/75/13/727807513.db2.gz	SBUMHFBFZROYNV-APSNUPSMSA-N	0	0	368.405	2.935	10	30		FFEERN
C#CCN(C(=O)CCc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1	ZINC000104309625	728501635	/nfs/dbraw/zinc/50/16/35/728501635.db2.gz	WKJXTZFXJBYJAT-CQSZACIVSA-N	0	0	374.289	2.575	10	30		FFEERN
C#CCOc1ccccc1OS(=O)(=O)c1c(Cl)nc2ccccn21	ZINC000107311788	728515427	/nfs/dbraw/zinc/51/54/27/728515427.db2.gz	HWNQNNIGMHGJJH-UHFFFAOYSA-N	0	0	362.794	2.767	10	30		FFEERN
C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(F)c(Cl)c1	ZINC000172326040	729023620	/nfs/dbraw/zinc/02/36/20/729023620.db2.gz	SAXCXVRYQSXGDL-PXSDHIKXSA-N	0	0	365.792	2.573	10	30		FFEERN
C=C(Br)COC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1	ZINC000179150952	729178983	/nfs/dbraw/zinc/17/89/83/729178983.db2.gz	JQDOHDNBYXLBRY-GXTWGEPZSA-N	0	0	356.191	2.797	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CC[C@@H](C)C2)on1	ZINC000329952961	729799667	/nfs/dbraw/zinc/79/96/67/729799667.db2.gz	NNNSYNYDKIGAQL-BVUBDWEXSA-N	0	0	352.454	2.930	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](C)c2csc(C)n2)C1	ZINC000330179494	729800089	/nfs/dbraw/zinc/80/00/89/729800089.db2.gz	MMKAEADDNFJJFC-LJUAHTATSA-N	0	0	351.432	2.580	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2ccc(C#N)c(Cl)c2)C1	ZINC000702765707	734356695	/nfs/dbraw/zinc/35/66/95/734356695.db2.gz	DHTMVZXDKVBCMI-DOMZBBRYSA-N	0	0	351.834	2.851	10	30		FFEERN
N#C[C@@H]1CN(C(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)C[C@H]1c1ccccc1	ZINC000908362092	736764019	/nfs/dbraw/zinc/76/40/19/736764019.db2.gz	UAOQSBNZTCTXGZ-FVAVCCDCSA-N	0	0	354.475	2.710	10	30		FFEERN
Cc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1N1CCNC1=O	ZINC000330210640	971137292	/nfs/dbraw/zinc/13/72/92/971137292.db2.gz	IMINAKQPVAAKNG-QRWLVFNGSA-N	0	0	372.469	2.902	10	30		FFEERN
CC(=Cc1ccc([N+](=O)[O-])cc1)C(O)=C(C#N)C(=O)NCCCOC(C)C	ZINC000588447317	965054366	/nfs/dbraw/zinc/05/43/66/965054366.db2.gz	UVWVPWRHWDSWFL-VWILAXROSA-N	0	0	373.409	2.638	10	30		FFEERN
C=CC[C@H](CO)NC(=O)/C(=C\c1ccc(O)c(OC)c1)c1ccccc1	ZINC000588507884	966331920	/nfs/dbraw/zinc/33/19/20/966331920.db2.gz	JDQBOYCUDFMJJS-ZCWPUFOUSA-N	0	0	353.418	2.995	10	30		FFEERN
C[C@@H](NC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1)c1cncc(F)c1	ZINC000329307936	967636652	/nfs/dbraw/zinc/63/66/52/967636652.db2.gz	PXAUZMPLKRKCNE-ADAWSYLGSA-N	0	0	364.465	2.769	10	30		FFEERN
CC1(C)NC(=O)N(c2cccc(NC(=O)N[C@@H]3CCC[C@H]3C#N)c2)C1=O	ZINC000329634256	967899843	/nfs/dbraw/zinc/89/98/43/967899843.db2.gz	SZOGHBNAHZTFSP-SMDDNHRTSA-N	0	0	355.398	2.553	10	30		FFEERN
CN(C)C(=O)Nc1cccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1	ZINC000329684317	967940642	/nfs/dbraw/zinc/94/06/42/967940642.db2.gz	UEXXZLBLMBOGJZ-KXBFYZLASA-N	0	0	371.441	2.770	10	30		FFEERN
Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@@H]1CCN(c2ccccc2)C1	ZINC000330027419	970074210	/nfs/dbraw/zinc/07/42/10/970074210.db2.gz	NBFSIOKAFHFPNC-MRXNPFEDSA-N	0	0	364.453	2.806	10	30		FFEERN
Cc1cnc([C@@H](C)NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)o1	ZINC000330076062	970317501	/nfs/dbraw/zinc/31/75/01/970317501.db2.gz	GQHHSVJTDABPGV-CYBMUJFWSA-N	0	0	358.446	2.765	10	30		FFEERN
C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000105386664	975921771	/nfs/dbraw/zinc/92/17/71/975921771.db2.gz	QVXWTAXKOHFBDR-OAHLLOKOSA-N	0	0	368.474	2.601	10	30		FFEERN
CCC1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000192306258	999977742	/nfs/dbraw/zinc/97/77/42/999977742.db2.gz	DXLOZZAOGMTPIV-PPSBMQLTSA-N	0	0	368.481	2.927	10	30		FFEERN
C#CCN(C(=O)CC1CCC(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000108261066	1005630249	/nfs/dbraw/zinc/63/02/49/1005630249.db2.gz	JBWHERLVSWRCKG-UUKMXZOPSA-N	0	0	373.518	2.999	10	30		FFEERN
C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(OC)c(F)c2)cc1	ZINC000108605296	1005691556	/nfs/dbraw/zinc/69/15/56/1005691556.db2.gz	GOEFIICGAJEYEN-CYBMUJFWSA-N	0	0	370.380	2.662	10	30		FFEERN
N#Cc1ccc(CNC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1	ZINC000046046864	249429727	/nfs/dbraw/zinc/42/97/27/249429727.db2.gz	LHVUPGBLPYQPOQ-QGZVFWFLSA-N	0	0	360.421	2.690	10	30		FFEERN
CCCCOc1ccc(Nc2ncnc(N(CC#N)CC#N)c2N)cc1	ZINC000040736515	208266035	/nfs/dbraw/zinc/26/60/35/208266035.db2.gz	GMQMQGAPUDLWLF-UHFFFAOYSA-N	0	0	351.414	2.835	10	30		FFEERN
Cn1c2c(nc1[C@@H]1CCCN1S(=O)(=O)c1cccc(C#N)c1)CCCC2	ZINC000278697058	256338994	/nfs/dbraw/zinc/33/89/94/256338994.db2.gz	MPTUSRFJVKQTOY-SFHVURJKSA-N	0	0	370.478	2.696	10	30		FFEERN
C[C@@H]1CCCN(c2cc(N3CCc4c(C#N)c(N)sc4C3)ncn2)C1	ZINC000301498545	258053059	/nfs/dbraw/zinc/05/30/59/258053059.db2.gz	CKLTWYMUXHGZFN-GFCCVEGCSA-N	0	0	354.483	2.791	10	30		FFEERN
C[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)C[C@H]1N1CCOCC1	ZINC000301568367	258056435	/nfs/dbraw/zinc/05/64/35/258056435.db2.gz	LHLLBHTYOIDNKX-SCLBCKFNSA-N	0	0	356.857	2.917	10	30		FFEERN
N#Cc1cc(NC[C@@H]2CCC[C@]23NC(=O)NC3=O)nc2ccc(Cl)cc12	ZINC000301960027	258078068	/nfs/dbraw/zinc/07/80/68/258078068.db2.gz	PTTYYRWCCOHNSS-VOJFVSQTSA-N	0	0	369.812	2.550	10	30		FFEERN
CC(=O)c1ccc(C#N)c(N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1	ZINC000302006703	258081803	/nfs/dbraw/zinc/08/18/03/258081803.db2.gz	AKOZDEZFOUGULI-FCHUYYIVSA-N	0	0	361.445	2.850	10	30		FFEERN
COC(=O)Cc1ccc(I)c(C#N)c1C(F)(F)F	ZINC000575392206	518209571	/nfs/dbraw/zinc/20/95/71/518209571.db2.gz	DNOSSSZYLILDNX-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
N#Cc1cc(I)cc(Br)c1[N+](=O)[O-]	ZINC000575691461	518249031	/nfs/dbraw/zinc/24/90/31/518249031.db2.gz	FJBRBVADPRXTOA-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
CCCCCCCCCCS(=O)(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000014115746	506968297	/nfs/dbraw/zinc/96/82/97/506968297.db2.gz	PBVMZBODCAFBMJ-MRXNPFEDSA-O	0	0	365.560	2.596	10	30		FFEERN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)NC(=O)c1ccco1	ZINC000063250555	507705145	/nfs/dbraw/zinc/70/51/45/507705145.db2.gz	CKCNGJOPMYOTIQ-CYBMUJFWSA-N	0	0	357.366	2.521	10	30		FFEERN
N#CCCn1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)n1	ZINC000078609537	507888344	/nfs/dbraw/zinc/88/83/44/507888344.db2.gz	OOWDNYBDZZKJLN-SJORKVTESA-N	0	0	353.426	2.917	10	30		FFEERN
N#Cc1cccc(CS(=O)(=O)NCCCCOCc2ccccc2)c1	ZINC000108399522	507892116	/nfs/dbraw/zinc/89/21/16/507892116.db2.gz	QJRVISUMLWLPNF-UHFFFAOYSA-N	0	0	358.463	2.975	10	30		FFEERN
CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	ZINC000108818938	507920478	/nfs/dbraw/zinc/92/04/78/507920478.db2.gz	JTJSLUPUHXGRQD-VXGBXAGGSA-N	0	0	358.250	2.596	10	30		FFEERN
N#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C1CC1	ZINC000108827660	507920538	/nfs/dbraw/zinc/92/05/38/507920538.db2.gz	RXVGMMLPXDBSIP-IINYFYTJSA-N	0	0	352.221	2.765	10	30		FFEERN
N#C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C1CC1	ZINC000108830392	507920917	/nfs/dbraw/zinc/92/09/17/507920917.db2.gz	HBZNVVVIHNCKNO-KRWDZBQOSA-N	0	0	373.409	2.658	10	30		FFEERN
N#C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C1CC1	ZINC000108838175	507921493	/nfs/dbraw/zinc/92/14/93/507921493.db2.gz	PWHMEIDELXCPPC-IBGZPJMESA-N	0	0	373.412	2.557	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCCN(Cc2cnn(CC)c2)CC1	ZINC000109661310	507977565	/nfs/dbraw/zinc/97/75/65/507977565.db2.gz	WEEFCAVBYUAKHG-UHFFFAOYSA-N	0	0	368.481	2.816	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)c1	ZINC000111736612	508117821	/nfs/dbraw/zinc/11/78/21/508117821.db2.gz	DKXREOGGHRXHOT-CQSZACIVSA-N	0	0	371.441	2.854	10	30		FFEERN
CCc1noc([C@H](C)N2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)n1	ZINC000112122767	508153302	/nfs/dbraw/zinc/15/33/02/508153302.db2.gz	ADTSVEBWUGIBFT-AWEZNQCLSA-N	0	0	368.441	2.609	10	30		FFEERN
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1C	ZINC000076099168	508158740	/nfs/dbraw/zinc/15/87/40/508158740.db2.gz	MVDUMZLOYXNLKU-LRDDRELGSA-N	0	0	350.378	2.517	10	30		FFEERN
Cc1cc(C)nc(N=NC(C)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1	ZINC000097991089	508230786	/nfs/dbraw/zinc/23/07/86/508230786.db2.gz	BCFOYTIGISXMBC-QNGOZBTKSA-N	0	0	373.482	2.714	10	30		FFEERN
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCn2nc(C)nc21	ZINC000083741027	508256559	/nfs/dbraw/zinc/25/65/59/508256559.db2.gz	FVGPKOHPDHSZQU-QGZVFWFLSA-N	0	0	350.426	2.691	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1F	ZINC000103160664	508299576	/nfs/dbraw/zinc/29/95/76/508299576.db2.gz	UZIINVXBDGPKHX-INIZCTEOSA-N	0	0	374.393	2.952	10	30		FFEERN
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCN(C2CC2)CC1	ZINC000105101763	508361046	/nfs/dbraw/zinc/36/10/46/508361046.db2.gz	XOWBLYFWSBRZEB-UHFFFAOYSA-N	0	0	351.372	2.547	10	30		FFEERN
C=CCSc1ccccc1NC(=O)CN1CCN(CCOC)[C@H](C)C1	ZINC000106109312	508394203	/nfs/dbraw/zinc/39/42/03/508394203.db2.gz	PAYBOTOWVAOYHU-MRXNPFEDSA-N	0	0	363.527	2.556	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(Cc3cc(C#N)ccc3F)CC2)cn1	ZINC000106144935	508396639	/nfs/dbraw/zinc/39/66/39/508396639.db2.gz	QMJMQOBVPZUSCC-UHFFFAOYSA-N	0	0	355.461	2.967	10	30		FFEERN
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@H]2c2nc[nH]n2)c1	ZINC000121745406	508408902	/nfs/dbraw/zinc/40/89/02/508408902.db2.gz	VDIJBWUQCZSPIO-SFHVURJKSA-N	0	0	366.469	2.895	10	30		FFEERN
C=C[C@@H](CC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1)c1ccccc1	ZINC000133570058	508417926	/nfs/dbraw/zinc/41/79/26/508417926.db2.gz	BSBUDNXHWBQJGP-RDJZCZTQSA-N	0	0	354.454	2.943	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)c1	ZINC000156713846	508466321	/nfs/dbraw/zinc/46/63/21/508466321.db2.gz	WSYVTMDHBANUOT-YXBWYFRISA-N	0	0	351.450	2.869	10	30		FFEERN
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000116112076	508473407	/nfs/dbraw/zinc/47/34/07/508473407.db2.gz	LEJBJRKDRCIINM-APWZRJJASA-N	0	0	352.438	2.711	10	30		FFEERN
COc1ccccc1N1CC[C@H](NC(=O)/C=C/c2cccc(C#N)c2)C1=O	ZINC000157316888	508551030	/nfs/dbraw/zinc/55/10/30/508551030.db2.gz	NQVZCFZCHHZSIV-FVNWOWOISA-N	0	0	361.401	2.502	10	30		FFEERN
COc1ccc(OCCOS(=O)(=O)c2ccc(C)cc2)c(C=O)c1	ZINC000116742218	508553565	/nfs/dbraw/zinc/55/35/65/508553565.db2.gz	KIFZAMRXKJGYEV-UHFFFAOYSA-N	0	0	350.392	2.600	10	30		FFEERN
Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000134650091	508555527	/nfs/dbraw/zinc/55/55/27/508555527.db2.gz	FAQFAUPPFOHALF-QGZVFWFLSA-N	0	0	365.437	2.981	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN(c3ncccc3F)C2)cc1	ZINC000153602193	508605233	/nfs/dbraw/zinc/60/52/33/508605233.db2.gz	CCMCKNMNHBADCK-CDVVCGDMSA-N	0	0	366.396	2.531	10	30		FFEERN
C[C@@H](c1ccc(C#N)cc1)N1CCN(C[C@H](O)COc2ccccc2)CC1	ZINC000118398528	508649049	/nfs/dbraw/zinc/64/90/49/508649049.db2.gz	QBWHXVDATTVLIV-RXVVDRJESA-N	0	0	365.477	2.677	10	30		FFEERN
CCCC(=O)N[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1	ZINC000160148265	508946068	/nfs/dbraw/zinc/94/60/68/508946068.db2.gz	LZBMBJNUXDGNHY-INIZCTEOSA-N	0	0	357.454	2.623	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N1CCC(c2nncn2CC)CC1	ZINC000132161728	509001011	/nfs/dbraw/zinc/00/10/11/509001011.db2.gz	DKZXSSQUADOVQJ-UHFFFAOYSA-N	0	0	370.453	2.891	10	30		FFEERN
CC[C@H](C#N)NS(=O)(=O)c1cc(Cl)c(OC)cc1Br	ZINC000160834023	509037805	/nfs/dbraw/zinc/03/78/05/509037805.db2.gz	DHOWGRSQJMCXAC-SSDOTTSWSA-N	0	0	367.652	2.692	10	30		FFEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)COCc1ccccc1	ZINC000172956258	509322600	/nfs/dbraw/zinc/32/26/00/509322600.db2.gz	BUXJJZLOZKUTJG-CQSZACIVSA-N	0	0	367.449	2.518	10	30		FFEERN
CC(C)(C)CN(CCC#N)C(=O)C1CCN(C(=O)c2ccccn2)CC1	ZINC000173010540	509348001	/nfs/dbraw/zinc/34/80/01/509348001.db2.gz	PIRJVALOLYKSPM-UHFFFAOYSA-N	0	0	356.470	2.722	10	30		FFEERN
C#CCCCCC(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000192158267	509379585	/nfs/dbraw/zinc/37/95/85/509379585.db2.gz	KPZNLBDBHGNYGN-QGZVFWFLSA-N	0	0	350.503	2.835	10	30		FFEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1[C@H]1CCCCC1=O	ZINC000248714841	509449184	/nfs/dbraw/zinc/44/91/84/509449184.db2.gz	DXPAXVSERISRCZ-HUUCEWRRSA-N	0	0	350.415	2.610	10	30		FFEERN
Cc1ccc(OC2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)nc1	ZINC000182844131	509456153	/nfs/dbraw/zinc/45/61/53/509456153.db2.gz	YKACZLPWWJGKMC-UHFFFAOYSA-N	0	0	356.470	2.576	10	30		FFEERN
C[C@@H](C(=O)OC(C)(C)C)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248782539	509484342	/nfs/dbraw/zinc/48/43/42/509484342.db2.gz	VPHVYHSJNYUOOV-YOEHRIQHSA-N	0	0	357.454	2.716	10	30		FFEERN
C=C[C@@H](CC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1	ZINC000179627594	509543200	/nfs/dbraw/zinc/54/32/00/509543200.db2.gz	JFROJSLFUSSXCS-WMZOPIPTSA-N	0	0	366.465	2.700	10	30		FFEERN
C=CC[C@@H](C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1)c1ccccc1	ZINC000189401142	509558116	/nfs/dbraw/zinc/55/81/16/509558116.db2.gz	MGROPXPNGRTCKW-MAUKXSAKSA-N	0	0	354.454	2.943	10	30		FFEERN
C[C@H]1CN([C@@H](CNC(=O)c2ccc(C#N)cc2)c2cccs2)CCO1	ZINC000176585268	509595551	/nfs/dbraw/zinc/59/55/51/509595551.db2.gz	KMIXXXSHKRHMBG-YOEHRIQHSA-N	0	0	355.463	2.812	10	30		FFEERN
N#Cc1ccc(OC2CN(C(=O)c3csc(C(F)(F)F)n3)C2)cc1	ZINC000189566426	509641154	/nfs/dbraw/zinc/64/11/54/509641154.db2.gz	OFMVQQXIFSHHTH-UHFFFAOYSA-N	0	0	353.325	2.937	10	30		FFEERN
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCCN(c2ccccn2)CC1	ZINC000186446913	509712775	/nfs/dbraw/zinc/71/27/75/509712775.db2.gz	JZEDKFNRUYFXGC-UHFFFAOYSA-N	0	0	364.449	2.850	10	30		FFEERN
CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)Cc2cccc(C#N)c2)no1	ZINC000173724328	509740414	/nfs/dbraw/zinc/74/04/14/509740414.db2.gz	ZHIWSHLIKSCCCH-HNNXBMFYSA-N	0	0	360.439	2.732	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@H](c2nccs2)C1	ZINC000173785719	509777413	/nfs/dbraw/zinc/77/74/13/509777413.db2.gz	YOCCDEYHEMJVOP-HNNXBMFYSA-N	0	0	361.398	2.900	10	30		FFEERN
C=CC[C@H](C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1)c1ccccc1	ZINC000189937178	509839442	/nfs/dbraw/zinc/83/94/42/509839442.db2.gz	PWONVFIAQPVZPT-MSOLQXFVSA-N	0	0	365.481	2.963	10	30		FFEERN
Fc1ccc(C=Nc2nnc3n(N=Cc4ccc(F)cc4)cnn23)cc1	ZINC000254441504	509905638	/nfs/dbraw/zinc/90/56/38/509905638.db2.gz	PZMDDXOKNKIXIF-UHFFFAOYSA-N	0	0	351.320	2.837	10	30		FFEERN
Nn1cnnc1N=NCc1ccc(-c2ccc(OC(F)(F)F)cc2)o1	ZINC000254494831	509907800	/nfs/dbraw/zinc/90/78/00/509907800.db2.gz	ORQNGEIYZVYRPF-UHFFFAOYSA-N	0	0	352.276	2.597	10	30		FFEERN
Cc1nc(C[C@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)C2)no1	ZINC000171232967	510024316	/nfs/dbraw/zinc/02/43/16/510024316.db2.gz	PJCDVOOEISPCAG-OAHLLOKOSA-N	0	0	356.451	2.823	10	30		FFEERN
CCc1nc(C2(NS(=O)(=O)c3ccc(C#N)cc3C)CCCC2)no1	ZINC000177607018	510158554	/nfs/dbraw/zinc/15/85/54/510158554.db2.gz	XOGDEVIOYJKXEH-UHFFFAOYSA-N	0	0	360.439	2.560	10	30		FFEERN
CC(C)c1nc(C2(NS(=O)(=O)Cc3cccc(C#N)c3)CCCC2)no1	ZINC000177611080	510160830	/nfs/dbraw/zinc/16/08/30/510160830.db2.gz	LCQKYLIZOXTBNE-UHFFFAOYSA-N	0	0	374.466	2.954	10	30		FFEERN
CCCCN1CCOC[C@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000184219746	510200415	/nfs/dbraw/zinc/20/04/15/510200415.db2.gz	DKLRLXBQUFFNND-KRWDZBQOSA-N	0	0	368.399	2.674	10	30		FFEERN
Cc1csc([C@@H]2CN(C(=O)NCc3ccc(OCC#N)cc3)CCO2)n1	ZINC000194197965	510259099	/nfs/dbraw/zinc/25/90/99/510259099.db2.gz	JSIDPPBFKQKZSM-INIZCTEOSA-N	0	0	372.450	2.637	10	30		FFEERN
N#CCCN(C(=O)CN1CC[C@@H](CNc2ccccn2)C1)c1ccccc1	ZINC000171648180	510278547	/nfs/dbraw/zinc/27/85/47/510278547.db2.gz	UMEDWVSJOKWHSC-SFHVURJKSA-N	0	0	363.465	2.762	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)CC2	ZINC000184350634	510279220	/nfs/dbraw/zinc/27/92/20/510279220.db2.gz	TWHFKIBMSZZTME-KBPBESRZSA-N	0	0	368.441	2.829	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@H]1c1nc[nH]n1	ZINC000181195351	510296494	/nfs/dbraw/zinc/29/64/94/510296494.db2.gz	ZEUPRTNXPBCNSC-HNNXBMFYSA-N	0	0	369.425	2.598	10	30		FFEERN
C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCc2nc(CC)nn2C1	ZINC000172039921	510512988	/nfs/dbraw/zinc/51/29/88/510512988.db2.gz	JIARDRHSWDQPLE-OAHLLOKOSA-N	0	0	357.433	2.692	10	30		FFEERN
N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)c1	ZINC000184805741	510522515	/nfs/dbraw/zinc/52/25/15/510522515.db2.gz	XQTOZJVTGQEUSO-UHFFFAOYSA-N	0	0	350.831	2.503	10	30		FFEERN
CCN(CCC#N)C(=O)CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000246635424	510593012	/nfs/dbraw/zinc/59/30/12/510593012.db2.gz	JHFYZWPDVWWQQJ-HOTGVXAUSA-N	0	0	369.387	2.575	10	30		FFEERN
C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000185031709	510644554	/nfs/dbraw/zinc/64/45/54/510644554.db2.gz	VFOLJKJULHRPSL-SNVBAGLBSA-N	0	0	358.847	2.562	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1	ZINC000191549657	510716548	/nfs/dbraw/zinc/71/65/48/510716548.db2.gz	XZPINOSIIHNZGE-MBNRZODZSA-N	0	0	363.392	2.628	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1	ZINC000172461283	510739348	/nfs/dbraw/zinc/73/93/48/510739348.db2.gz	JAJLWSGYDCFCHU-QGZVFWFLSA-N	0	0	367.453	2.895	10	30		FFEERN
Cc1ccc(CN2CC[C@@H](NC(=O)/C=C/c3cccc(C#N)c3)C2=O)cc1	ZINC000191616503	510753984	/nfs/dbraw/zinc/75/39/84/510753984.db2.gz	CSXOECYMBGTWCT-SQUSKLHYSA-N	0	0	359.429	2.797	10	30		FFEERN
Cc1nnc([C@H]2CN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CCO2)[nH]1	ZINC000175778122	510785491	/nfs/dbraw/zinc/78/54/91/510785491.db2.gz	VZGUXHKAHRGMDS-CYBMUJFWSA-N	0	0	372.791	2.903	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1	ZINC000178832903	510795052	/nfs/dbraw/zinc/79/50/52/510795052.db2.gz	PDWOZOBDPPHYPR-GHMZBOCLSA-N	0	0	357.307	2.873	10	30		FFEERN
Cn1nccc1N1CCC[C@H](NC(=O)CSC[C@@H]2CCCCO2)C1	ZINC000329946397	510884324	/nfs/dbraw/zinc/88/43/24/510884324.db2.gz	JOIRNNJWLXODCZ-GJZGRUSLSA-N	0	0	352.504	2.648	10	30		FFEERN
Cc1ncc(CN2CCN(C(=O)NC[C@@H]3CCO[C@@H]3C(C)C)CC2)s1	ZINC000330207980	510937681	/nfs/dbraw/zinc/93/76/81/510937681.db2.gz	GITOBXTXWSKYGJ-DOTOQJQBSA-N	0	0	366.531	2.544	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCS[C@H](C)CC1)CCC2	ZINC000330225251	510941236	/nfs/dbraw/zinc/94/12/36/510941236.db2.gz	OCDXFCYIFGRFIR-UKRRQHHQSA-N	0	0	352.504	2.648	10	30		FFEERN
O=C(CS)Nc1ccc(I)c(Br)c1	ZINC000300907731	511687642	/nfs/dbraw/zinc/68/76/42/511687642.db2.gz	PAQRSTIPEUWRLJ-UHFFFAOYSA-N	0	0	372.025	2.922	10	30		FFEERN
CCn1c(=O)n(CC(=O)NCc2sccc2C)nc1[C@H]1OCC[C@H]1C	ZINC000328629811	511899535	/nfs/dbraw/zinc/89/95/35/511899535.db2.gz	IRFNHKZJYHQHCN-DOMZBBRYSA-N	0	0	364.471	2.689	10	30		FFEERN
CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)c1cc(F)cc3n[nH]nc31)C2	ZINC000328645748	511906665	/nfs/dbraw/zinc/90/66/65/511906665.db2.gz	GNZGIFBWVKKASF-NSHDSACASA-N	0	0	356.405	2.911	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCc3ccccc3[C@@H]1CO)CCC2	ZINC000328652010	511907948	/nfs/dbraw/zinc/90/79/48/511907948.db2.gz	BSBSPEZUSCNQIL-WMZOPIPTSA-N	0	0	354.454	2.575	10	30		FFEERN
COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C[C@@H]2CCCCC(=O)N2)C1	ZINC000328672347	511913541	/nfs/dbraw/zinc/91/35/41/511913541.db2.gz	OCQBBYAINUTKBY-ZNMIVQPWSA-N	0	0	353.463	2.506	10	30		FFEERN
C[C@H](NC(=O)N[C@@H]1CCC(=O)NC12CCC2)c1ccc(-n2ccnn2)cc1	ZINC000328712638	511919661	/nfs/dbraw/zinc/91/96/61/511919661.db2.gz	BQHMTUINQFKFFT-XJKSGUPXSA-N	0	0	368.441	2.874	10	30		FFEERN
O=C(N[C@H]1CCCN(c2ncccn2)C1)N1CCC(c2nccs2)CC1	ZINC000328750021	511925813	/nfs/dbraw/zinc/92/58/13/511925813.db2.gz	MOSSHBQJWCBIAF-HNNXBMFYSA-N	0	0	372.498	2.696	10	30		FFEERN
CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)cc1	ZINC000328893916	511946600	/nfs/dbraw/zinc/94/66/00/511946600.db2.gz	UREBMCLVYVNDOJ-JCURWCKSSA-N	0	0	366.483	2.612	10	30		FFEERN
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1	ZINC000328970574	511958871	/nfs/dbraw/zinc/95/88/71/511958871.db2.gz	UVMWXDPHWBMXBE-ROUUACIJSA-N	0	0	372.469	2.943	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)[C@@]12CCCO2	ZINC000329014310	511966435	/nfs/dbraw/zinc/96/64/35/511966435.db2.gz	FTFTWBJOBJTQFG-CFLZNVQHSA-N	0	0	363.458	2.571	10	30		FFEERN
CC(C)C[C@@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1	ZINC000329195575	512002956	/nfs/dbraw/zinc/00/29/56/512002956.db2.gz	UJCWJJNKTUZVCV-RCCFBDPRSA-N	0	0	364.511	2.849	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CCC([C@@H]2CCCO2)CC1	ZINC000329248512	512013682	/nfs/dbraw/zinc/01/36/82/512013682.db2.gz	WQZFDKNXSZPTPF-ULQDDVLXSA-N	0	0	362.474	2.538	10	30		FFEERN
O=C(Nc1nc(CN2CCCCC2)cs1)N1CCc2cncnc2C1	ZINC000329255823	512015139	/nfs/dbraw/zinc/01/51/39/512015139.db2.gz	BMHOHQDHRAMLTD-UHFFFAOYSA-N	0	0	358.471	2.523	10	30		FFEERN
CC(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1	ZINC000329267920	512017912	/nfs/dbraw/zinc/01/79/12/512017912.db2.gz	HXOXIOIHPGSZSV-KFWWJZLASA-N	0	0	362.430	2.525	10	30		FFEERN
CC1(C)CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)c2cccc(Cl)c21	ZINC000329321962	512026519	/nfs/dbraw/zinc/02/65/19/512026519.db2.gz	FGXADBOTMAUSSS-GXTWGEPZSA-N	0	0	361.833	2.583	10	30		FFEERN
CCC[C@@H]1[C@@H](C)CCCN1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C	ZINC000329337764	512029304	/nfs/dbraw/zinc/02/93/04/512029304.db2.gz	MRBADZJTPLDBLX-LUXYFRNMSA-N	0	0	361.490	2.507	10	30		FFEERN
CCC[C@]1(C)CCCN(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1	ZINC000329335459	512029353	/nfs/dbraw/zinc/02/93/53/512029353.db2.gz	LGKUIZQFVQSHLQ-LSBZLQRGSA-N	0	0	361.490	2.508	10	30		FFEERN
CCC1(CC)CCN(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1	ZINC000329416047	512041739	/nfs/dbraw/zinc/04/17/39/512041739.db2.gz	DCHXPDCAGNRZHT-RHSMWYFYSA-N	0	0	361.490	2.508	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCS[C@H](C(C)C)C1)CCC2	ZINC000329538792	512066223	/nfs/dbraw/zinc/06/62/23/512066223.db2.gz	VQOCFHLCPJYYBF-CVEARBPZSA-N	0	0	366.531	2.894	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@@H]3c3cn[nH]c3)C2)nn1	ZINC000329546544	512067248	/nfs/dbraw/zinc/06/72/48/512067248.db2.gz	OJFNGAPOPKSOGT-DLBZAZTESA-N	0	0	369.473	2.618	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000329566107	512070174	/nfs/dbraw/zinc/07/01/74/512070174.db2.gz	KRSBYVCOTXJLBP-SPCAWNFKSA-N	0	0	353.365	2.803	10	30		FFEERN
CCN1CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1=O	ZINC000329563638	512070206	/nfs/dbraw/zinc/07/02/06/512070206.db2.gz	GUPCNYWUAXHULK-MRXNPFEDSA-N	0	0	357.454	2.901	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N3CCn4cccc4[C@@H]3C)C2)nn1	ZINC000329598834	512075393	/nfs/dbraw/zinc/07/53/93/512075393.db2.gz	PTOBFRPFSWKFQK-HOTGVXAUSA-N	0	0	354.458	2.546	10	30		FFEERN
CC(=O)N1C[C@H](CCC(=O)N[C@H](C)[C@H](C)N2CCOCC2)c2ccccc21	ZINC000329633168	512079491	/nfs/dbraw/zinc/07/94/91/512079491.db2.gz	SFWFQWWTNMJDQO-RYRKJORJSA-N	0	0	373.497	2.983	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)N1CCc2cncnc2C1	ZINC000329700716	512088335	/nfs/dbraw/zinc/08/83/35/512088335.db2.gz	ZYPHZQBYEFFSPQ-SJLPKXTDSA-N	0	0	356.401	2.808	10	30		FFEERN
C[C@H](c1nccs1)N1CCN(C(=O)NCC2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000329816433	512101099	/nfs/dbraw/zinc/10/10/99/512101099.db2.gz	VXWGABNWNXFSOI-RBSFLKMASA-N	0	0	366.531	2.939	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H]3[C@@H]3CCCO3)C2)n1	ZINC000408024330	512985671	/nfs/dbraw/zinc/98/56/71/512985671.db2.gz	ZMMKIHIAJXVUMN-FHWLQOOXSA-N	0	0	368.481	2.648	10	30		FFEERN
Cn1c2c(nc1[C@H]1CCCN1C(=O)c1ccc(C#N)c(O)c1)CCCC2	ZINC000408037243	512988642	/nfs/dbraw/zinc/98/86/42/512988642.db2.gz	APTVBDCLVLWTKT-QGZVFWFLSA-N	0	0	350.422	2.853	10	30		FFEERN
N#Cc1cccc(-c2cc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)on2)c1	ZINC000408269260	513035832	/nfs/dbraw/zinc/03/58/32/513035832.db2.gz	CAQOZRNEUACPBN-OXQOHEQNSA-N	0	0	351.406	2.980	10	30		FFEERN
COC(=O)Cc1cc(C(F)F)c(C#N)cc1I	ZINC000575389655	518208657	/nfs/dbraw/zinc/20/86/57/518208657.db2.gz	WWWBLCKHRQCQBT-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
CCOC(=O)c1ccc(C#N)c(OC(F)F)c1I	ZINC000575386402	518208902	/nfs/dbraw/zinc/20/89/02/518208902.db2.gz	UHKOQNDSAYUTJR-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
Cn1ccnc1[C@@H]1OCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N	ZINC000596505526	521104366	/nfs/dbraw/zinc/10/43/66/521104366.db2.gz	QYEWPIWGGSGQLZ-WCQYABFASA-N	0	0	351.332	2.895	10	30		FFEERN
C/C=C1/CN2[C@H]3C[C@@H]1[C@](C=O)(C(=O)OC)[C@@H]2Cc1c2ccccc2[nH]c13	ZINC000013518813	560218313	/nfs/dbraw/zinc/21/83/13/560218313.db2.gz	BRJNQOSDCDNITN-GJZACXSBSA-N	0	0	350.418	2.774	10	30	in-vitro	FFEERN
COC(=O)[C@]1(Cl)O[C@@]1(C)c1ccc(I)cc1	ZINC000234592779	570563943	/nfs/dbraw/zinc/56/39/43/570563943.db2.gz	PZWNGOVPTFOMKN-QWRGUYRKSA-N	0	0	352.555	2.645	10	30		FFEERN
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)C(=O)N1CCCC1	ZINC000138509522	728740744	/nfs/dbraw/zinc/74/07/44/728740744.db2.gz	VILJPQYJUWATAG-RBSFLKMASA-N	0	0	361.239	2.884	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)CC(=O)N1C1CC1	ZINC000329051279	729796256	/nfs/dbraw/zinc/79/62/56/729796256.db2.gz	WLVNDQINEJUULB-IXPVHAAZSA-N	0	0	352.385	2.616	10	30		FFEERN
C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H]1C(=O)N1CCSCC1	ZINC000329126309	729796460	/nfs/dbraw/zinc/79/64/60/729796460.db2.gz	YLBDJJHNRAFZRM-OWCLPIDISA-N	0	0	353.532	2.561	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1	ZINC000330130375	729800014	/nfs/dbraw/zinc/80/00/14/729800014.db2.gz	KKFIJTUQEVACFI-GOEBONIOSA-N	0	0	362.451	2.658	10	30		FFEERN
Cc1nnc2n1C[C@H](CNC(=O)NC[C@@H]1CCCCC(F)(F)C1)CC2	ZINC000330163351	729800202	/nfs/dbraw/zinc/80/02/02/729800202.db2.gz	ATCXEEGDVMNGAO-KGLIPLIRSA-N	0	0	355.433	2.868	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNc2ccc(C#N)c(Cl)c2)C1	ZINC000702765716	734356414	/nfs/dbraw/zinc/35/64/14/734356414.db2.gz	DHTMVZXDKVBCMI-WFASDCNBSA-N	0	0	351.834	2.851	10	30		FFEERN
C[C@@H]1Cc2cc(S(=O)(=O)N3C[C@@H](c4ccccc4)[C@H](C#N)C3)ccc2O1	ZINC000330204314	971076305	/nfs/dbraw/zinc/07/63/05/971076305.db2.gz	CQKSCUSYGMTXTP-BJZITVGISA-N	0	0	368.458	2.938	10	30		FFEERN
C[C@H]1CN(c2ccccc2NC(=O)N2CCc3cncnc3C2)C[C@H](C)O1	ZINC000329265682	967599320	/nfs/dbraw/zinc/59/93/20/967599320.db2.gz	FJGJHTQOYXIUIE-GJZGRUSLSA-N	0	0	367.453	2.694	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@H](C3CC3)C2)CCC[N@@H+]1C	ZINC000329328680	967647409	/nfs/dbraw/zinc/64/74/09/967647409.db2.gz	KOMDOQLZLLVFIX-JENIJYKNSA-N	0	0	359.518	2.839	10	30		FFEERN
CN1CCOc2ccc(NC(=O)N[C@@H]3CCN(c4ccccc4)C3)cc21	ZINC000329973104	969482141	/nfs/dbraw/zinc/48/21/41/969482141.db2.gz	ZMARXLMZHAEPBH-MRXNPFEDSA-N	0	0	352.438	2.929	10	30		FFEERN
C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)c1	ZINC000106637642	976263424	/nfs/dbraw/zinc/26/34/24/976263424.db2.gz	GMSZTASGUMVDOO-UXHICEINSA-N	0	0	362.429	2.559	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1	ZINC000333260085	978088189	/nfs/dbraw/zinc/08/81/89/978088189.db2.gz	CIVWJJOMYGYLKW-DOTOQJQBSA-N	0	0	369.465	2.625	10	30		FFEERN
C#Cc1cccc(NC(=O)CN(C)Cc2ccc(F)cc2C(=O)OC)c1	ZINC000103469175	1000087254	/nfs/dbraw/zinc/08/72/54/1000087254.db2.gz	WANGCARQVBDHOV-UHFFFAOYSA-N	0	0	354.381	2.664	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1C	ZINC000003459820	1004251702	/nfs/dbraw/zinc/25/17/02/1004251702.db2.gz	POHBLMQQTKZPDM-OAQYLSRUSA-N	0	0	365.433	2.941	10	30		FFEERN
C#CCN(C(=O)CCc1ccc(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1	ZINC000104307757	1004529715	/nfs/dbraw/zinc/52/97/15/1004529715.db2.gz	AITIZGUOHBUYRJ-KRWDZBQOSA-N	0	0	371.458	2.528	10	30		FFEERN
C[C@@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CCCO1	ZINC000092187415	249973676	/nfs/dbraw/zinc/97/36/76/249973676.db2.gz	PJIRNXFEOGSNKM-LHUBUQBQSA-N	0	0	358.442	2.510	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000106217273	250259234	/nfs/dbraw/zinc/25/92/34/250259234.db2.gz	RLEKSXGVSYBLQP-MAUKXSAKSA-N	0	0	351.454	2.981	10	30		FFEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)n1	ZINC000117006048	250329798	/nfs/dbraw/zinc/32/97/98/250329798.db2.gz	CLSUBNFAXKUXQO-AWEZNQCLSA-N	0	0	356.405	2.850	10	30		FFEERN
Cc1ccc([C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CCO2)o1	ZINC000162874437	251157246	/nfs/dbraw/zinc/15/72/46/251157246.db2.gz	HGRYTPGYRCPRQI-INIZCTEOSA-N	0	0	373.796	2.652	10	30		FFEERN
N#Cc1ccc(CN2CCCN(c3cccnn3)CC2)c(Br)c1	ZINC000181090480	251240511	/nfs/dbraw/zinc/24/05/11/251240511.db2.gz	WQYZKCPMYMUXPX-UHFFFAOYSA-N	0	0	372.270	2.823	10	30		FFEERN
N#CCCNC(=O)CNc1cc(Br)ccc1Br	ZINC000042578414	208293281	/nfs/dbraw/zinc/29/32/81/208293281.db2.gz	QOMJKUMNZNDBCT-UHFFFAOYSA-N	0	0	361.037	2.653	10	30		FFEERN
C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1cc2cc(Cl)ccc2o1	ZINC000301289185	258040290	/nfs/dbraw/zinc/04/02/90/258040290.db2.gz	SKKXAONCKSOSRC-VIFPVBQESA-N	0	0	358.785	2.528	10	30		FFEERN
N#CC1(C(=O)N2CCC3(CC2)CN(c2ncccn2)Cc2ccccc23)CC1	ZINC000096079568	132218647	/nfs/dbraw/zinc/21/86/47/132218647.db2.gz	BFAMEABGWPZQLX-UHFFFAOYSA-N	0	0	373.460	2.661	10	30		FFEERN
N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCOc4ccccc43)CC2)nc1	ZINC000012754116	132862549	/nfs/dbraw/zinc/86/25/49/132862549.db2.gz	QVNLWADLCHABPZ-GOSISDBHSA-N	0	0	362.433	2.810	10	30		FFEERN
N#Cc1ccc([N+](=O)[O-])c(Br)c1I	ZINC000575692381	518249085	/nfs/dbraw/zinc/24/90/85/518249085.db2.gz	OKLXDBXWCLSSNH-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
N#Cc1ccc(CNC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1	ZINC000046046012	507067623	/nfs/dbraw/zinc/06/76/23/507067623.db2.gz	VVGFOFXQZMEOSW-UHFFFAOYSA-N	0	0	368.481	2.882	10	30		FFEERN
O=C1c2cccc3c(OS(=O)(=O)c4ccccc4)ccc(c32)C(=O)N1O	ZINC000048524097	507533792	/nfs/dbraw/zinc/53/37/92/507533792.db2.gz	QAMRZXGUHWXMCR-UHFFFAOYSA-N	0	0	369.354	2.593	10	30		FFEERN
C=CCOc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000029861370	507793724	/nfs/dbraw/zinc/79/37/24/507793724.db2.gz	XBTAIQXTAKTNJZ-INIZCTEOSA-N	0	0	357.431	2.900	10	30		FFEERN
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C2CC2)CC1	ZINC000108361246	507889228	/nfs/dbraw/zinc/88/92/28/507889228.db2.gz	XQSYSRHEYBGCSJ-HNNXBMFYSA-N	0	0	358.511	2.799	10	30		FFEERN
Cc1nc(C)c(CCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)s1	ZINC000108404566	507893097	/nfs/dbraw/zinc/89/30/97/507893097.db2.gz	YZEQHGHAQXUQIM-UHFFFAOYSA-N	0	0	355.872	2.806	10	30		FFEERN
CCn1c(SCC(=O)N[C@H](C#N)C2CC2)nnc1-c1cccc(C)c1	ZINC000108829832	507920697	/nfs/dbraw/zinc/92/06/97/507920697.db2.gz	FHYBQWQWKXQTRJ-OAHLLOKOSA-N	0	0	355.467	2.784	10	30		FFEERN
C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1	ZINC000108832043	507921418	/nfs/dbraw/zinc/92/14/18/507921418.db2.gz	KRFNJBVPFRYARE-KHYOSLBOSA-N	0	0	369.465	2.887	10	30		FFEERN
N#C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)C1CC1	ZINC000108843152	507921939	/nfs/dbraw/zinc/92/19/39/507921939.db2.gz	KBEZWJAELVSVLT-INIZCTEOSA-N	0	0	367.478	2.714	10	30		FFEERN
N#CCSc1cccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)c1	ZINC000079524985	507971178	/nfs/dbraw/zinc/97/11/78/507971178.db2.gz	ICGFHQKORZONNY-KRWDZBQOSA-N	0	0	359.495	2.629	10	30		FFEERN
Cc1nc2c(s1)[C@H](N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1)CCC2	ZINC000111931642	508141843	/nfs/dbraw/zinc/14/18/43/508141843.db2.gz	AKRHIMIRQYTDJX-MRXNPFEDSA-N	0	0	368.462	2.992	10	30		FFEERN
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	ZINC000076281300	508180391	/nfs/dbraw/zinc/18/03/91/508180391.db2.gz	PKMVTMDTWJIIBJ-ABAIWWIYSA-N	0	0	353.353	2.953	10	30		FFEERN
C=CCOc1cccc(NC(=O)C2CCN(c3nccc(OC)n3)CC2)c1	ZINC000097680351	508228137	/nfs/dbraw/zinc/22/81/37/508228137.db2.gz	JENXQIPRKCZCPI-UHFFFAOYSA-N	0	0	368.437	2.905	10	30		FFEERN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](c2cc(OC)cc(OC)c2)C1	ZINC000083252242	508243660	/nfs/dbraw/zinc/24/36/60/508243660.db2.gz	AWTMXUKTBVGDCL-CVEARBPZSA-N	0	0	359.470	2.501	10	30		FFEERN
C=CCc1ccc(OCC(=O)NC[C@@H](O)Cc2ccccc2)c(OC)c1	ZINC000104907624	508351424	/nfs/dbraw/zinc/35/14/24/508351424.db2.gz	KTAYZCPDIHQBFY-SFHVURJKSA-N	0	0	355.434	2.522	10	30		FFEERN
CCc1nc2n(n1)C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)CC2	ZINC000114975838	508363635	/nfs/dbraw/zinc/36/36/35/508363635.db2.gz	JVURQNZMBRYLHH-QGZVFWFLSA-N	0	0	366.469	2.647	10	30		FFEERN
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@@H]1CCCC[C@@H]1O	ZINC000077759517	508367687	/nfs/dbraw/zinc/36/76/87/508367687.db2.gz	UJOMHKRDEORGQF-HOCLYGCPSA-N	0	0	354.372	2.907	10	30		FFEERN
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCn2nc(CC)nc21	ZINC000088755070	508382232	/nfs/dbraw/zinc/38/22/32/508382232.db2.gz	RFTYMWVFOBBHBM-KRWDZBQOSA-N	0	0	364.453	2.945	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1C	ZINC000106133988	508396203	/nfs/dbraw/zinc/39/62/03/508396203.db2.gz	RBMRDCQQWXJHQR-INIZCTEOSA-N	0	0	371.485	2.544	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1	ZINC000106172942	508396921	/nfs/dbraw/zinc/39/69/21/508396921.db2.gz	ASPWQJUAYMPYTG-SJORKVTESA-N	0	0	373.526	2.655	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(CC(=O)N(CCC#N)c3ccccc3)C2)c1	ZINC000106224762	508398301	/nfs/dbraw/zinc/39/83/01/508398301.db2.gz	CTXFDGOLKIYYDW-LJQANCHMSA-N	0	0	351.454	2.775	10	30		FFEERN
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1COc2ccccc21	ZINC000156905935	508494932	/nfs/dbraw/zinc/49/49/32/508494932.db2.gz	QQBQMBIJCYDYPD-ZDUSSCGKSA-N	0	0	368.336	2.989	10	30		FFEERN
Cc1cccc(N2CCC(NC(=O)c3ccccc3OCC#N)CC2)n1	ZINC000116669693	508544653	/nfs/dbraw/zinc/54/46/53/508544653.db2.gz	LDMLRVUUTXGDMO-UHFFFAOYSA-N	0	0	350.422	2.691	10	30		FFEERN
C=CCc1ccc(OCC(=O)N2CC[C@H](Oc3cccnc3)C2)c(OC)c1	ZINC000135712554	508642841	/nfs/dbraw/zinc/64/28/41/508642841.db2.gz	YLGYWIARIKSPBY-SFHVURJKSA-N	0	0	368.433	2.877	10	30		FFEERN
CC(C)[C@H](C)NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000154519141	508801090	/nfs/dbraw/zinc/80/10/90/508801090.db2.gz	DRGIBHYDBFJAEW-HNNXBMFYSA-N	0	0	351.454	2.983	10	30		FFEERN
CN1C(=O)C[C@@H](C(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1	ZINC000130387239	508816239	/nfs/dbraw/zinc/81/62/39/508816239.db2.gz	ULZXDCORVGNDJZ-IEBWSBKVSA-N	0	0	351.381	2.533	10	30		FFEERN
CCOC(=O)C[C@@H](NS(=O)(=O)c1ccccc1C#N)c1ccccc1C	ZINC000124360859	508820398	/nfs/dbraw/zinc/82/03/98/508820398.db2.gz	XYHDYEHENUHKSM-QGZVFWFLSA-N	0	0	372.446	2.840	10	30		FFEERN
N#CC1CCN(C(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1	ZINC000146994906	508855527	/nfs/dbraw/zinc/85/55/27/508855527.db2.gz	OXUOKPWGKOIXME-ONUXSRJRSA-N	0	0	369.509	2.956	10	30		FFEERN
C=CCOc1ccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1OC	ZINC000150713707	508878977	/nfs/dbraw/zinc/87/89/77/508878977.db2.gz	JNPDFMBNKXWFFM-HNNXBMFYSA-N	0	0	370.453	2.720	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000150783620	508892469	/nfs/dbraw/zinc/89/24/69/508892469.db2.gz	VOKJTYBBVZZUIX-INIZCTEOSA-N	0	0	350.426	2.789	10	30		FFEERN
CN(C)C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1	ZINC000119937978	508894115	/nfs/dbraw/zinc/89/41/15/508894115.db2.gz	ZVGDDTFWWIBBRY-KRWDZBQOSA-N	0	0	363.870	2.793	10	30		FFEERN
Cc1cc(C)n2nc(SCc3ccccc3C(=O)N[C@H](C)C#N)nc2n1	ZINC000125425359	508981006	/nfs/dbraw/zinc/98/10/06/508981006.db2.gz	MKUGSFFOYMFWJT-GFCCVEGCSA-N	0	0	366.450	2.675	10	30		FFEERN
N#CCOc1ccc(CC(=O)NC2CCN(c3cccs3)CC2)cc1	ZINC000155860150	509083700	/nfs/dbraw/zinc/08/37/00/509083700.db2.gz	IJGGKUGVWALPSW-UHFFFAOYSA-N	0	0	355.463	2.978	10	30		FFEERN
N#Cc1ccc2ncc(CN3CCC(C(=O)N4CCCCCC4)CC3)n2c1	ZINC000121034526	509115004	/nfs/dbraw/zinc/11/50/04/509115004.db2.gz	CWCNZIUGGHAJOY-UHFFFAOYSA-N	0	0	365.481	2.821	10	30		FFEERN
CCn1cc(C2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)cn1	ZINC000195500313	509193766	/nfs/dbraw/zinc/19/37/66/509193766.db2.gz	GCASJFZGZMFFDZ-HNNXBMFYSA-N	0	0	351.454	2.981	10	30		FFEERN
Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)Nc1cccc(C#N)c1	ZINC000185592628	509252952	/nfs/dbraw/zinc/25/29/52/509252952.db2.gz	SSVJKMGMFLQHOR-KRWDZBQOSA-N	0	0	352.369	2.711	10	30		FFEERN
C=CCN(CCOC)C(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000191960920	509266354	/nfs/dbraw/zinc/26/63/54/509266354.db2.gz	VKIGLDDIUWPVDR-RQJZOYDLSA-N	0	0	374.525	2.855	10	30		FFEERN
C=C[C@@](C)(CCOC)C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000188820044	509279155	/nfs/dbraw/zinc/27/91/55/509279155.db2.gz	JDYXGTIQUULIFJ-FQEVSTJZSA-N	0	0	362.518	2.511	10	30		FFEERN
COc1ccccc1O[C@H]1O[C@@H]1COC[C@H]1O[C@H]1Oc1ccccc1OC	ZINC000221251177	509306554	/nfs/dbraw/zinc/30/65/54/509306554.db2.gz	CKOJVJMMOLAYOR-WTGUMLROSA-N	0	0	374.389	2.628	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cccc(SCC#N)c1)CC2	ZINC000176063616	509306521	/nfs/dbraw/zinc/30/65/21/509306521.db2.gz	VRLDOPHOBILRAS-CQSZACIVSA-N	0	0	355.467	2.762	10	30		FFEERN
Cc1cc(C(=O)N[C@@H]2CCCn3ncnc32)c(C)n1-c1ccc(C#N)cc1	ZINC000176134042	509339660	/nfs/dbraw/zinc/33/96/60/509339660.db2.gz	DOOHKAUZTRPCMT-GOSISDBHSA-N	0	0	360.421	2.822	10	30		FFEERN
C=C(C)[C@H](NC(=O)N1CCN(C[C@H](O)CC)CC1)c1ccc(F)c(F)c1	ZINC000185848140	509384174	/nfs/dbraw/zinc/38/41/74/509384174.db2.gz	PTFPFRQUSKWMAQ-QAPCUYQASA-N	0	0	367.440	2.680	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cccc(C#N)c3)C[C@@H]12	ZINC000248602098	509386275	/nfs/dbraw/zinc/38/62/75/509386275.db2.gz	ODYZMQWVGQVWHA-BRWVUGGUSA-N	0	0	355.438	2.934	10	30		FFEERN
CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2nc(C)ccc2C#N)CC1	ZINC000192240890	509421982	/nfs/dbraw/zinc/42/19/82/509421982.db2.gz	ZZXPJBUNTWKXDS-UHFFFAOYSA-N	0	0	358.486	2.894	10	30		FFEERN
Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(C#N)cc3C)CC2)nc1	ZINC000173210078	509457261	/nfs/dbraw/zinc/45/72/61/509457261.db2.gz	PCNWMDANJOTQSO-UHFFFAOYSA-N	0	0	370.478	2.517	10	30		FFEERN
C=CC[C@@H](C(=O)N1CCN(c2nccc(OCC)n2)CC1)c1ccccc1	ZINC000189225631	509471356	/nfs/dbraw/zinc/47/13/56/509471356.db2.gz	FQVIZGUQQXUHTQ-GOSISDBHSA-N	0	0	366.465	2.884	10	30		FFEERN
C=CC[C@H](C(=O)N1CCN(c2nccc(OCC)n2)CC1)c1ccccc1	ZINC000189225606	509471518	/nfs/dbraw/zinc/47/15/18/509471518.db2.gz	FQVIZGUQQXUHTQ-SFHVURJKSA-N	0	0	366.465	2.884	10	30		FFEERN
N#CC1(c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1	ZINC000179783558	509619508	/nfs/dbraw/zinc/61/95/08/509619508.db2.gz	XSWQHVMWDALQRV-QGZVFWFLSA-N	0	0	366.442	2.890	10	30		FFEERN
N#Cc1ccc(CSCC(=O)N2CCCN(c3ccccn3)CC2)cc1	ZINC000186425027	509702311	/nfs/dbraw/zinc/70/23/11/509702311.db2.gz	XQKLCZUEJWIAGH-UHFFFAOYSA-N	0	0	366.490	2.925	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)N2CCCN(c3ccccn3)CC2)c1	ZINC000186519809	509750487	/nfs/dbraw/zinc/75/04/87/509750487.db2.gz	QYOQGHDDZRPKCB-UHFFFAOYSA-N	0	0	353.401	2.514	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](NC(=O)CCC)C1	ZINC000173788681	509778891	/nfs/dbraw/zinc/77/88/91/509778891.db2.gz	IIDZDNUXLVLLLM-HNNXBMFYSA-N	0	0	361.417	2.750	10	30		FFEERN
C[C@@H](COCc1ccccc1)NC(=O)NCCOc1ccc(C#N)cc1	ZINC000173796100	509782740	/nfs/dbraw/zinc/78/27/40/509782740.db2.gz	UMHJPCXKTCUALN-INIZCTEOSA-N	0	0	353.422	2.842	10	30		FFEERN
COc1cccc2c1CCN(C(=O)Cc1cccc(OCC#N)c1)CC2	ZINC000193241169	509833882	/nfs/dbraw/zinc/83/38/82/509833882.db2.gz	UKVJLBYLMZHFJL-UHFFFAOYSA-N	0	0	350.418	2.767	10	30		FFEERN
Cc1cc(CN(C[C@H]2CN(C)CCO2)C(=O)c2sccc2C#N)c(C)[nH]1	ZINC000252527884	509849339	/nfs/dbraw/zinc/84/93/39/509849339.db2.gz	DPGNUTLTEUNCMC-QGZVFWFLSA-N	0	0	372.494	2.538	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC(=O)/C=C/c2ccc3c(c2)CCO3)cn1	ZINC000183652278	509906571	/nfs/dbraw/zinc/90/65/71/509906571.db2.gz	PKADYMVIUREKRA-GQCTYLIASA-N	0	0	357.373	2.726	10	30		FFEERN
COCc1nc2n(n1)CCC[C@H]2Nc1nc(C(F)(F)F)ccc1C#N	ZINC000268404227	509908674	/nfs/dbraw/zinc/90/86/74/509908674.db2.gz	RCDHVUYXZFWHTR-SNVBAGLBSA-N	0	0	352.320	2.657	10	30		FFEERN
COc1cc(C=Nn2c(SC)nnc2C(F)F)cc(OC)c1OC	ZINC000254818308	509910598	/nfs/dbraw/zinc/91/05/98/509910598.db2.gz	FRGCFTJWRIGTLM-UHFFFAOYSA-N	0	0	358.370	2.846	10	30		FFEERN
CN(C)C(=O)CCCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	ZINC000174056724	509926422	/nfs/dbraw/zinc/92/64/22/509926422.db2.gz	VSBCVJXDLILVOQ-UHFFFAOYSA-N	0	0	356.451	2.803	10	30		FFEERN
COc1cnccc1[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000187008767	510002560	/nfs/dbraw/zinc/00/25/60/510002560.db2.gz	KZMIQERVCDCQBN-KDOFPFPSSA-N	0	0	350.422	2.808	10	30		FFEERN
CC(C)n1cc(C#N)c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)n1	ZINC000177399252	510035706	/nfs/dbraw/zinc/03/57/06/510035706.db2.gz	AFFYSEROIWLHCQ-UHFFFAOYSA-N	0	0	371.466	2.888	10	30		FFEERN
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1	ZINC000183997338	510078717	/nfs/dbraw/zinc/07/87/17/510078717.db2.gz	ZPOIRRSHGSXUCC-UWJYYQICSA-N	0	0	369.465	2.811	10	30		FFEERN
Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000180746848	510088385	/nfs/dbraw/zinc/08/83/85/510088385.db2.gz	GCWFTKRDLNAWEY-SJLPKXTDSA-N	0	0	364.449	2.561	10	30		FFEERN
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(Nc2nccs2)CC1	ZINC000190384414	510100132	/nfs/dbraw/zinc/10/01/32/510100132.db2.gz	CKJONXPBLLYYLW-CYBMUJFWSA-N	0	0	356.451	2.885	10	30		FFEERN
Cc1ccc(N2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)nn1	ZINC000245747296	510124344	/nfs/dbraw/zinc/12/43/44/510124344.db2.gz	NBWLLJITSMZCNS-QGZVFWFLSA-N	0	0	351.454	2.788	10	30		FFEERN
Cc1nc(C[C@H]2CCCN(CC(=O)N(CCC#N)c3ccccc3)C2)no1	ZINC000171408043	510140139	/nfs/dbraw/zinc/14/01/39/510140139.db2.gz	BUCZPYVWQUSLKZ-QGZVFWFLSA-N	0	0	367.453	2.579	10	30		FFEERN
C=C(C)[C@H](NC(=O)NC[C@H](C)N1CCOCC1)c1ccc(F)c(F)c1	ZINC000187333460	510201667	/nfs/dbraw/zinc/20/16/67/510201667.db2.gz	AEPKJFYGUNWRMR-GUYCJALGSA-N	0	0	353.413	2.602	10	30		FFEERN
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](CNc2ccccn2)C1	ZINC000171647903	510276721	/nfs/dbraw/zinc/27/67/21/510276721.db2.gz	ZYGKDWJMFMIERY-CQSZACIVSA-N	0	0	369.856	2.979	10	30		FFEERN
N#Cc1ccc(Cl)cc1NC(=O)CN1CCO[C@H](c2nccs2)C1	ZINC000171667825	510296100	/nfs/dbraw/zinc/29/61/00/510296100.db2.gz	TXHAUMAYOATCFN-AWEZNQCLSA-N	0	0	362.842	2.680	10	30		FFEERN
CCOc1cc(C)nc(N2CCN([C@H](C)c3cccc(C#N)c3)CC2)n1	ZINC000187683595	510385272	/nfs/dbraw/zinc/38/52/72/510385272.db2.gz	JVYPFJIUGWENMH-MRXNPFEDSA-N	0	0	351.454	2.939	10	30		FFEERN
C=CCSCCNC(=O)N1CCCN(C(=O)c2cccs2)CC1	ZINC000171851420	510409860	/nfs/dbraw/zinc/40/98/60/510409860.db2.gz	YOJCKAYGJPUIOM-UHFFFAOYSA-N	0	0	353.513	2.525	10	30		FFEERN
CC(C)c1ccc([C@H](C)NC(=O)NCCNC(=O)C2N=CC=CC2=O)cc1	ZINC000171897969	510437726	/nfs/dbraw/zinc/43/77/26/510437726.db2.gz	QMJMTYZTWCAWML-JGWKNBOWSA-N	0	0	370.453	2.697	10	30		FFEERN
C[C@@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C(C)(C)C	ZINC000171949768	510467599	/nfs/dbraw/zinc/46/75/99/510467599.db2.gz	SSEXZJJFHUVOFQ-CQSZACIVSA-N	0	0	368.485	2.993	10	30		FFEERN
C=CC[C@H](C)[C@@H](C)Nc1cccc(S(=O)(=O)N2CCC(O)CC2)c1	ZINC000188093569	510588953	/nfs/dbraw/zinc/58/89/53/510588953.db2.gz	NKPIVUBGQJHURS-LSDHHAIUSA-N	0	0	352.500	2.845	10	30		FFEERN
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccco1	ZINC000181805388	510603896	/nfs/dbraw/zinc/60/38/96/510603896.db2.gz	ZAOIARXTZLQSRD-HIFRSBDPSA-N	0	0	353.378	2.873	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)COCc1ccccc1	ZINC000178500450	510633443	/nfs/dbraw/zinc/63/34/43/510633443.db2.gz	VPNOVAIELXJNGZ-AWEZNQCLSA-N	0	0	351.406	2.527	10	30		FFEERN
CCOCCN1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1C	ZINC000172272037	510640986	/nfs/dbraw/zinc/64/09/86/510640986.db2.gz	BSFJZVBTJYAJBX-HNNXBMFYSA-N	0	0	361.490	2.689	10	30		FFEERN
N#Cc1ccc(Br)c(CN2CCCN(c3cccnn3)CC2)c1	ZINC000191784192	510829483	/nfs/dbraw/zinc/82/94/83/510829483.db2.gz	SCOISTPJRTYGAI-UHFFFAOYSA-N	0	0	372.270	2.823	10	30		FFEERN
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N1C[C@H]2CCC[C@@H]21	ZINC000329917624	510877560	/nfs/dbraw/zinc/87/75/60/510877560.db2.gz	FMODCOJXOAPNPL-PBHICJAKSA-N	0	0	363.483	2.891	10	30		FFEERN
C[C@H](C(=O)NC1C2CC3CC(C2)CC1C3)S(=O)(=O)C1CCOCC1	ZINC000330037034	510904388	/nfs/dbraw/zinc/90/43/88/510904388.db2.gz	CZEMFMHRQNLJQC-VQGSXZNQSA-N	0	0	355.500	2.750	10	30		FFEERN
CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CCC[C@H]1Cn1ccnc1)CC2	ZINC000330055018	510907330	/nfs/dbraw/zinc/90/73/30/510907330.db2.gz	SYLKZTWVDLKVEM-SJORKVTESA-N	0	0	356.474	2.596	10	30		FFEERN
O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)[C@@H]1CCC(F)(F)C1	ZINC000330108753	510917605	/nfs/dbraw/zinc/91/76/05/510917605.db2.gz	OBCOEYYIVGCIKD-QWHCGFSZSA-N	0	0	364.400	2.733	10	30		FFEERN
CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)c2ccccc21	ZINC000330139063	510923060	/nfs/dbraw/zinc/92/30/60/510923060.db2.gz	OQKWURPCULAMIW-JTDSTZFVSA-N	0	0	368.437	2.952	10	30		FFEERN
Cc1ncc(CN2CCN(C(=O)NC[C@@H]3CCO[C@H]3C(C)C)CC2)s1	ZINC000330207981	510937983	/nfs/dbraw/zinc/93/79/83/510937983.db2.gz	GITOBXTXWSKYGJ-RDJZCZTQSA-N	0	0	366.531	2.544	10	30		FFEERN
Cn1nccc1[C@@H]1[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)CC(=O)N1C	ZINC000330286031	510958105	/nfs/dbraw/zinc/95/81/05/510958105.db2.gz	ZMLOLMRJIBKGOK-FCEWJHQRSA-N	0	0	352.438	2.974	10	30		FFEERN
CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F	ZINC000330310260	510961111	/nfs/dbraw/zinc/96/11/11/510961111.db2.gz	UVIQKGCIVIPCNB-MKVSYHDVSA-N	0	0	368.428	2.872	10	30		FFEERN
Cn1cncc1[C@@H]1C[C@H](NC(=O)NC2C3CC4CC(C3)CC2C4)CCO1	ZINC000330339961	510969981	/nfs/dbraw/zinc/96/99/81/510969981.db2.gz	XHRSSIFBNPYLDU-IFZNXGNFSA-N	0	0	358.486	2.969	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)cn1	ZINC000330350625	510971940	/nfs/dbraw/zinc/97/19/40/510971940.db2.gz	LHWYHLAPXBWQBB-HDEZJCGLSA-N	0	0	362.474	2.727	10	30		FFEERN
CN(C)c1ccc(CC(=O)Nc2ccc3oc(C(=O)NO)cc3c2)cc1	ZINC000299863809	511687184	/nfs/dbraw/zinc/68/71/84/511687184.db2.gz	LOIKFSINBRVMHY-UHFFFAOYSA-N	0	0	353.378	2.799	10	30		FFEERN
C#CCNC(=O)c1ccc(N2CC[C@H](Oc3cccc(Cl)c3)C2)nc1	ZINC000301831261	511702205	/nfs/dbraw/zinc/70/22/05/511702205.db2.gz	IFNBVZVHHZZPDH-KRWDZBQOSA-N	0	0	355.825	2.756	10	30		FFEERN
NC(=O)c1cnn2c1C[C@H](CNC(=O)c1ccc(OCC3CC3)nc1)CC2	ZINC000328603515	511890660	/nfs/dbraw/zinc/89/06/60/511890660.db2.gz	GHQAWFWFCXWYGS-CYBMUJFWSA-N	0	0	369.425	2.517	10	30		FFEERN
C[C@H]([NH+]=C([O-])N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@H]1CCCO1	ZINC000328635748	511903308	/nfs/dbraw/zinc/90/33/08/511903308.db2.gz	VAUUPOSFBUIJLC-RWMBFGLXSA-N	0	0	374.407	2.878	10	30		FFEERN
O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328667498	511912657	/nfs/dbraw/zinc/91/26/57/511912657.db2.gz	DDLAYKKPCQJEMQ-UXLLHSPISA-N	0	0	358.438	2.837	10	30		FFEERN
Cn1ncc2c1C[C@H](C(=O)N[C@@H]1CCc3nc(C(C)(C)C)cn3C1)CC2	ZINC000328673255	511913512	/nfs/dbraw/zinc/91/35/12/511913512.db2.gz	OYAHLJQHKKDBRO-UKRRQHHQSA-N	0	0	355.486	2.991	10	30		FFEERN
N#C[C@@H]1CN([C@@H]2CCN(c3ccccc3)C2=O)C[C@@]12C(=O)Nc1ccccc12	ZINC000328674862	511913523	/nfs/dbraw/zinc/91/35/23/511913523.db2.gz	KENWYPVZRUFAEN-YIFZBPKDSA-N	0	0	372.428	2.787	10	30		FFEERN
C[C@H](N1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1)C(F)(F)F	ZINC000328724108	511920765	/nfs/dbraw/zinc/92/07/65/511920765.db2.gz	YJFHCEJPNGKMBI-NWDGAFQWSA-N	0	0	362.396	2.510	10	30		FFEERN
O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC[C@@H](Oc2ccccn2)C1	ZINC000328724243	511921218	/nfs/dbraw/zinc/92/12/18/511921218.db2.gz	AVFVCVNFJNHICH-ATLSCFEFSA-N	0	0	357.454	2.796	10	30		FFEERN
CC1(C)NC(=O)CC[C@@H]1NC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1	ZINC000328733935	511923227	/nfs/dbraw/zinc/92/32/27/511923227.db2.gz	IDUHEYWRODUBGJ-GJZGRUSLSA-N	0	0	364.490	2.569	10	30		FFEERN
CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCn2cc(C)nc21	ZINC000328787100	511930279	/nfs/dbraw/zinc/93/02/79/511930279.db2.gz	LATLUCLHHVUOGN-ZIAGYGMSSA-N	0	0	350.488	2.727	10	30		FFEERN
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)C(=O)N1c1ccccc1	ZINC000328888785	511945868	/nfs/dbraw/zinc/94/58/68/511945868.db2.gz	QIPIONAFJHPFTN-GMLZMKKNSA-N	0	0	370.453	2.582	10	30		FFEERN
CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1C1CC1	ZINC000328978112	511960414	/nfs/dbraw/zinc/96/04/14/511960414.db2.gz	QSKXHIHZZTUMRF-XKQJLSEDSA-N	0	0	361.490	2.682	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H](O)C2CCCCC2)CCC(=O)N1C1CC1	ZINC000328994856	511963903	/nfs/dbraw/zinc/96/39/03/511963903.db2.gz	JKHGWBLJTANODP-LZQZEXGQSA-N	0	0	374.485	2.512	10	30		FFEERN
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1	ZINC000329053759	511974832	/nfs/dbraw/zinc/97/48/32/511974832.db2.gz	XGSOTGOADHRIKB-JQQAVJQISA-N	0	0	367.515	2.924	10	30		FFEERN
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC1([S@@](C)=O)CC1	ZINC000329118405	511986732	/nfs/dbraw/zinc/98/67/32/511986732.db2.gz	JKIPDEFWGMZWTI-NJUKPOPLSA-N	0	0	353.488	2.799	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(CC(=O)NC[C@H]3Cc4ccccc4O3)C2)c1	ZINC000329139912	511990822	/nfs/dbraw/zinc/99/08/22/511990822.db2.gz	FNZGWRAKTIBQLS-QZTJIDSGSA-N	0	0	354.454	2.789	10	30		FFEERN
O=C(CN1CCc2cncnc2C1)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000329174078	511998098	/nfs/dbraw/zinc/99/80/98/511998098.db2.gz	LUSFSLFKGBNMMX-UHFFFAOYSA-N	0	0	369.469	2.674	10	30		FFEERN
CNC(=O)[C@H]1CN(C(=O)[C@H]2CCCc3sccc32)C[C@@H]1c1cnn(C)c1	ZINC000329171332	511998120	/nfs/dbraw/zinc/99/81/20/511998120.db2.gz	KAGYZYNPGOBGNV-XHSDSOJGSA-N	0	0	372.494	2.730	10	30		FFEERN
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1ccc(F)cc1F	ZINC000329207767	512004858	/nfs/dbraw/zinc/00/48/58/512004858.db2.gz	FIGGPPBUVXSLIS-WPUCRFQZSA-N	0	0	354.397	2.802	10	30		FFEERN
Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3CCCc4sccc43)C2)c1=O	ZINC000329210415	512005327	/nfs/dbraw/zinc/00/53/27/512005327.db2.gz	YUWLPQCYFIXDFY-ZFWWWQNUSA-N	0	0	372.494	2.887	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CCS[C@@H](C)CC2)on1	ZINC000329252069	512014243	/nfs/dbraw/zinc/01/42/43/512014243.db2.gz	VFDIDDKZBJQAPJ-KKUMJFAQSA-N	0	0	370.494	2.637	10	30		FFEERN
CC(=O)N1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1	ZINC000329267919	512017582	/nfs/dbraw/zinc/01/75/82/512017582.db2.gz	HXOXIOIHPGSZSV-ILXRZTDVSA-N	0	0	362.430	2.525	10	30		FFEERN
C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1cccc(NC(=O)C2CC2)c1	ZINC000329393340	512038772	/nfs/dbraw/zinc/03/87/72/512038772.db2.gz	UQTQXANTWNBEGZ-YOEHRIQHSA-N	0	0	357.454	2.759	10	30		FFEERN
C[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000329478473	512054486	/nfs/dbraw/zinc/05/44/86/512054486.db2.gz	CHQVVXLOKPWRTR-NVQRDWNXSA-N	0	0	373.501	2.649	10	30		FFEERN
CCc1cccc2c1OCC[C@H]2NC(=O)N1CCn2c(nnc2C2CC2)C1	ZINC000329485942	512055650	/nfs/dbraw/zinc/05/56/50/512055650.db2.gz	SVPZZZXORWEBMM-MRXNPFEDSA-N	0	0	367.453	2.971	10	30		FFEERN
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)N[C@H]2COC[C@H]2n2ccnn2)cc1	ZINC000329511186	512060219	/nfs/dbraw/zinc/06/02/19/512060219.db2.gz	MZAAYUYLFQUJGD-KANFNMMFSA-N	0	0	369.469	2.914	10	30		FFEERN
Cc1noc([C@H](NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C2CCOCC2)n1	ZINC000329521470	512063571	/nfs/dbraw/zinc/06/35/71/512063571.db2.gz	QUYAJQWDDZCTPT-HZPDHXFCSA-N	0	0	374.445	2.710	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	ZINC000329617137	512077034	/nfs/dbraw/zinc/07/70/34/512077034.db2.gz	QAWNPPQODFAQPI-QAETUUGQSA-N	0	0	374.485	2.681	10	30		FFEERN
CCC(CC)[C@@H]1C[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CCO1	ZINC000329622263	512078330	/nfs/dbraw/zinc/07/83/30/512078330.db2.gz	RTDRWVAMJFMTOD-OWYHZJEWSA-N	0	0	367.534	2.679	10	30		FFEERN
CCCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329632709	512079560	/nfs/dbraw/zinc/07/95/60/512079560.db2.gz	WXEUQXWBIWOKFI-JKSUJKDBSA-N	0	0	359.474	2.501	10	30		FFEERN
CC1(C)C[C@H](NC(=O)NC[C@@H]2CCCCS2(=O)=O)c2ccccc2O1	ZINC000329663059	512083546	/nfs/dbraw/zinc/08/35/46/512083546.db2.gz	PRZDIDJZYFXSJC-ZFWWWQNUSA-N	0	0	366.483	2.760	10	30		FFEERN
O=C(N[C@H]1CCc2ccccc21)N[C@@H]1CCCN(c2cccnc2)C1=O	ZINC000329682137	512086538	/nfs/dbraw/zinc/08/65/38/512086538.db2.gz	YPWDNEWWHOGQJS-ZWKOTPCHSA-N	0	0	350.422	2.768	10	30		FFEERN
N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2C1	ZINC000408007837	512982785	/nfs/dbraw/zinc/98/27/85/512982785.db2.gz	JNNISMFPLYXCJV-QWRGUYRKSA-N	0	0	355.257	2.741	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC(C)(C)OC(C)(C)C3)C2)n1	ZINC000408262464	513034331	/nfs/dbraw/zinc/03/43/31/513034331.db2.gz	KFUAWJURBJCWGF-QGZVFWFLSA-N	0	0	370.497	2.894	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCO[C@@H](C(C)(C)C)C3)C2)n1	ZINC000408265607	513034820	/nfs/dbraw/zinc/03/48/20/513034820.db2.gz	LNSYCKAXHUCFRU-QZTJIDSGSA-N	0	0	370.497	2.752	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCO[C@@H](C(C)(C)C)C3)C2)n1	ZINC000408265610	513035136	/nfs/dbraw/zinc/03/51/36/513035136.db2.gz	LNSYCKAXHUCFRU-ZWKOTPCHSA-N	0	0	370.497	2.752	10	30		FFEERN
CC[C@H]1CN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CCS1	ZINC000408287100	513039242	/nfs/dbraw/zinc/03/92/42/513039242.db2.gz	PAHIWYPZBKJMTK-IRXDYDNUSA-N	0	0	358.511	2.832	10	30		FFEERN
COC(=O)Cc1cc(C#N)c(I)c(C(F)F)c1	ZINC000575389163	518208691	/nfs/dbraw/zinc/20/86/91/518208691.db2.gz	BDHDACLYKRMVKY-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)c1ccc(C#N)c(C(F)(F)F)c1I	ZINC000575393068	518210312	/nfs/dbraw/zinc/21/03/12/518210312.db2.gz	XYFOEDHVECWMAF-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
COC(=O)c1cc(I)c(C(F)(F)F)c(C#N)c1	ZINC000575393002	518210360	/nfs/dbraw/zinc/21/03/60/518210360.db2.gz	UTDCCWFWJIQRQN-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
COC(=O)c1c(I)c(C#N)ccc1OC(F)(F)F	ZINC000575392784	518210424	/nfs/dbraw/zinc/21/04/24/518210424.db2.gz	WLMYGFQUGXIHER-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
N#Cc1cccc(C(=O)N2CC(n3cc(COCc4ccccc4)nn3)C2)c1	ZINC000575552579	518231141	/nfs/dbraw/zinc/23/11/41/518231141.db2.gz	DBKZCUBVSNSJON-UHFFFAOYSA-N	0	0	373.416	2.564	10	30		FFEERN
C#CCN1C(=O)[C@]2(c3ccccc3-c3oc(N)nc32)C2=C1CC(C)(C)CC2=O	ZINC000020568313	518265972	/nfs/dbraw/zinc/26/59/72/518265972.db2.gz	WKPAUTFKICNPCF-JOCHJYFZSA-N	0	0	373.412	2.642	10	30		FFEERN
CC(=O)n1cc(Oc2ccc(C#N)cc2)c([C@H]2CCCN(C(C)=O)C2)n1	ZINC000584599215	518414062	/nfs/dbraw/zinc/41/40/62/518414062.db2.gz	VKXUHULPCLWQTP-INIZCTEOSA-N	0	0	352.394	2.933	10	30		FFEERN
CCOc1ccc(/C=N/O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1	ZINC000003412310	520853819	/nfs/dbraw/zinc/85/38/19/520853819.db2.gz	QCNPGVAZQFRHMP-LVCXCXRVSA-N	0	0	370.405	2.869	10	30		FFEERN
C/N=C1\S/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1C	ZINC000096602785	728481060	/nfs/dbraw/zinc/48/10/60/728481060.db2.gz	VRJFHLVDSMVMRO-OCODLWPMSA-N	0	0	355.213	2.710	10	30		FFEERN
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)c1cccs1	ZINC000178134522	729154613	/nfs/dbraw/zinc/15/46/13/729154613.db2.gz	VMZXLBAKZPVLSP-NEPJUHHUSA-N	0	0	364.448	2.591	10	30		FFEERN
C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccs1	ZINC000178134560	729154662	/nfs/dbraw/zinc/15/46/62/729154662.db2.gz	VMZXLBAKZPVLSP-NWDGAFQWSA-N	0	0	364.448	2.591	10	30		FFEERN
C=CCSCCNC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C	ZINC000194505797	729512258	/nfs/dbraw/zinc/51/22/58/729512258.db2.gz	ODHTZAGVCWTDNW-OAHLLOKOSA-N	0	0	356.438	2.755	10	30		FFEERN
C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccs1	ZINC000194560594	729513402	/nfs/dbraw/zinc/51/34/02/729513402.db2.gz	NDKCQRQQPZTOER-LBPRGKRZSA-N	0	0	364.448	2.858	10	30		FFEERN
Cc1nc([C@H](C)NC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)cs1	ZINC000329645541	729798201	/nfs/dbraw/zinc/79/82/01/729798201.db2.gz	IRNCNEBGCCTYRY-TVQRCGJNSA-N	0	0	351.453	2.545	10	30		FFEERN
O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)NC[C@H]1CCCCS1(=O)=O	ZINC000329615369	729798284	/nfs/dbraw/zinc/79/82/84/729798284.db2.gz	DFGLKUUVTVGPHO-XQQFMLRXSA-N	0	0	370.437	2.826	10	30		FFEERN
O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CC[C@@H](N2CCCC2=O)C1	ZINC000330053799	729799665	/nfs/dbraw/zinc/79/96/65/729799665.db2.gz	QYRFUWFVZIDFDO-MJBXVCDLSA-N	0	0	361.408	2.966	10	30		FFEERN
O=C(CNC(=O)NCc1cc(F)cc2c1OCOC2)NC1CCCCC1	ZINC000328740849	962858157	/nfs/dbraw/zinc/85/81/57/962858157.db2.gz	IPOGIHKOWBQUJZ-UHFFFAOYSA-N	0	0	365.405	2.985	10	30		FFEERN
CN1CCN(C(=O)NCc2cn3c(n2)CCCC3)[C@H](c2ccccc2)C1	ZINC000328792630	963877554	/nfs/dbraw/zinc/87/75/54/963877554.db2.gz	RLGAJIZFYRLOCK-SFHVURJKSA-N	0	0	353.470	2.622	10	30		FFEERN
CCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@H]1CCCOc3ccc(F)cc31)CC2	ZINC000329275810	967608258	/nfs/dbraw/zinc/60/82/58/967608258.db2.gz	BRUDANLJMIPOGV-HIFRSBDPSA-N	0	0	373.432	2.712	10	30		FFEERN
C#CCOc1ccccc1[C@@H](C)OC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000107059481	976548514	/nfs/dbraw/zinc/54/85/14/976548514.db2.gz	BPNDFJZMEQODBF-OLZOCXBDSA-N	0	0	369.339	2.714	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)N1CCOC[C@@H]1c1nnc(-c2cccs2)o1	ZINC000332846719	977675426	/nfs/dbraw/zinc/67/54/26/977675426.db2.gz	OYYIYUWSDNTMEJ-YNEHKIRRSA-N	0	0	373.438	2.573	10	30		FFEERN
C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]21O[C@H]1CO	ZINC000261493296	210006605	/nfs/dbraw/zinc/00/66/05/210006605.db2.gz	OVQVCDLENXCQBC-JFBAWDOZSA-N	0	0	350.499	2.635	10	30		FFEERN
N#Cc1ccccc1/C=C/C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000042039948	249385901	/nfs/dbraw/zinc/38/59/01/249385901.db2.gz	XNTJBYPIMIIEEA-FVNWOWOISA-N	0	0	352.415	2.606	10	30		FFEERN
CCc1nn(C[C@H](O)COc2ccccc2C(C)C)c(=O)c(C#N)c1CC	ZINC000106363199	250265381	/nfs/dbraw/zinc/26/53/81/250265381.db2.gz	CRABVRUZGNQXNW-HNNXBMFYSA-N	0	0	369.465	2.803	10	30		FFEERN
COc1cccc(NC(=S)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1	ZINC000003248279	206962561	/nfs/dbraw/zinc/96/25/61/206962561.db2.gz	UDHFZHYPEQCTCT-CAOOACKPSA-N	0	0	374.378	2.653	10	30		FFEERN
COc1ccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(C#N)c3)oc2c1	ZINC000004247132	207008814	/nfs/dbraw/zinc/00/88/14/207008814.db2.gz	PIJUDBUSXZVHCY-ATJXCDBQSA-N	0	0	361.357	2.822	10	30		FFEERN
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](n2cncn2)C1	ZINC000175566297	251229087	/nfs/dbraw/zinc/22/90/87/251229087.db2.gz	AXRXQUKTQHSTEE-HNNXBMFYSA-N	0	0	354.414	2.806	10	30		FFEERN
O=S(=O)(c1ccc(/N=C/c2c[nH]c3ccccc23)cc1)N1CCOCC1	ZINC000040570718	208256957	/nfs/dbraw/zinc/25/69/57/208256957.db2.gz	UAYMRPYUVFXNDR-DEDYPNTBSA-N	0	0	369.446	2.939	10	30		FFEERN
CN(Cc1ccccc1)c1ncnc(N(CCC#N)CCC#N)c1[N+](=O)[O-]	ZINC000040572795	208257706	/nfs/dbraw/zinc/25/77/06/208257706.db2.gz	NVZCFBCEJGVLSH-UHFFFAOYSA-N	0	0	365.397	2.655	10	30		FFEERN
Cc1cc(C)c2ncc(C#N)c(N3C[C@@H](C)[C@H](N4CCOCC4)C3)c2c1	ZINC000301535102	258054113	/nfs/dbraw/zinc/05/41/13/258054113.db2.gz	AGMDYODLVQOPDE-VQIMIIECSA-N	0	0	350.466	2.880	10	30		FFEERN
N#Cc1cc(F)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(F)c1	ZINC000301671610	258062480	/nfs/dbraw/zinc/06/24/80/258062480.db2.gz	ZEAGVJOBZUKSCJ-OALUTQOASA-N	0	0	355.388	2.926	10	30		FFEERN
N#Cc1ccccc1N1CCCN(C(=O)C[C@@H]2CCCCNC2=O)CC1	ZINC000329226764	258133028	/nfs/dbraw/zinc/13/30/28/258133028.db2.gz	ASFNVUWXJOIZQO-INIZCTEOSA-N	0	0	354.454	2.744	10	30		FFEERN
COC(=O)Cc1cc(C#N)c(I)cc1C(F)(F)F	ZINC000575392651	518209615	/nfs/dbraw/zinc/20/96/15/518209615.db2.gz	KOLCZMZKGMYCFO-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1cccc(C#N)c1	ZINC000005035321	506416963	/nfs/dbraw/zinc/41/69/63/506416963.db2.gz	QIEJBQSNKXJHJX-LBPRGKRZSA-N	0	0	350.407	2.653	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)Nc3cc(OC)cc(OC)c3)cc2C1=O	ZINC000005681787	506452829	/nfs/dbraw/zinc/45/28/29/506452829.db2.gz	AABDAHFKBFYWON-UHFFFAOYSA-N	0	0	366.373	2.738	10	30		FFEERN
N#Cc1c(F)cccc1N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000007147473	506538754	/nfs/dbraw/zinc/53/87/54/506538754.db2.gz	ZUZAYZLCOHMVSJ-NTEUORMPSA-N	0	0	371.437	2.820	10	30		FFEERN
COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ccccc3C#N)CC2=O)c1	ZINC000008268316	506636890	/nfs/dbraw/zinc/63/68/90/506636890.db2.gz	LZUMNTRBPXPOKP-CQSZACIVSA-N	0	0	365.389	2.567	10	30		FFEERN
C=CCO[C@@H]1[C@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1OCC=C	ZINC000044169424	506817369	/nfs/dbraw/zinc/81/73/69/506817369.db2.gz	FMKYMGOFTWEBLP-MPRNQXESSA-N	0	0	362.422	2.614	10	30		FFEERN
O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccc(F)cc1	ZINC000015919962	507066762	/nfs/dbraw/zinc/06/67/62/507066762.db2.gz	IYGWMZZZSHQTRL-MRXNPFEDSA-N	0	0	359.328	2.535	10	30		FFEERN
C#CCNC(=O)c1ccc(N2CCC(Nc3ccccc3F)CC2)nc1	ZINC000078370285	507865560	/nfs/dbraw/zinc/86/55/60/507865560.db2.gz	NOQNFKZPXGUSRZ-UHFFFAOYSA-N	0	0	352.413	2.665	10	30		FFEERN
C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)Cc1cccc(C#N)c1	ZINC000108399964	507892729	/nfs/dbraw/zinc/89/27/29/507892729.db2.gz	GYOHTLKYXUJVTM-KXBFYZLASA-N	0	0	356.447	2.850	10	30		FFEERN
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1	ZINC000108726920	507914662	/nfs/dbraw/zinc/91/46/62/507914662.db2.gz	AANSNWMWVNYNKP-CYBMUJFWSA-N	0	0	374.404	2.817	10	30		FFEERN
Cc1nc(C(=O)N[C@@H](C#N)C2CC2)nn1-c1c(Cl)cccc1Cl	ZINC000108830397	507920946	/nfs/dbraw/zinc/92/09/46/507920946.db2.gz	XCLZKHOFXRBGQU-LBPRGKRZSA-N	0	0	350.209	2.915	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)c1	ZINC000111361010	508093823	/nfs/dbraw/zinc/09/38/23/508093823.db2.gz	LQUKDKQICIDBEJ-CQSZACIVSA-N	0	0	364.858	2.742	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)cc1	ZINC000111731471	508117807	/nfs/dbraw/zinc/11/78/07/508117807.db2.gz	VBTBZHQEMOYJLC-GOSISDBHSA-N	0	0	367.453	2.976	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1	ZINC000112125843	508153730	/nfs/dbraw/zinc/15/37/30/508153730.db2.gz	QQCBBVJMBXFFKH-GOSISDBHSA-N	0	0	356.426	2.689	10	30		FFEERN
C[C@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1F	ZINC000102634459	508279975	/nfs/dbraw/zinc/27/99/75/508279975.db2.gz	VUIFSYBYHGWWRU-OAHLLOKOSA-N	0	0	352.413	2.935	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1Cl	ZINC000113889015	508284247	/nfs/dbraw/zinc/28/42/47/508284247.db2.gz	MHLKHJIPAMAJGV-OAHLLOKOSA-N	0	0	357.801	2.627	10	30		FFEERN
Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCO[C@H](C#N)C1	ZINC000106048517	508390460	/nfs/dbraw/zinc/39/04/60/508390460.db2.gz	ACCPJJJYAQOMIR-SECBINFHSA-N	0	0	355.341	2.988	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCO[C@H](Cn3nc(C)cc3C)C2)c1C	ZINC000106201839	508398022	/nfs/dbraw/zinc/39/80/22/508398022.db2.gz	XLIFVBBMEWOGEJ-IBGZPJMESA-N	0	0	370.497	2.688	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCCn2nc(CC)nc21	ZINC000133620730	508425310	/nfs/dbraw/zinc/42/53/10/508425310.db2.gz	PLXMTDNVWJOHOM-HNNXBMFYSA-N	0	0	356.426	2.679	10	30		FFEERN
CC(C)c1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(F)c(C#N)c2)no1	ZINC000127316640	508430808	/nfs/dbraw/zinc/43/08/08/508430808.db2.gz	QOGOQBNPPPBRIY-AWEZNQCLSA-N	0	0	371.372	2.506	10	30		FFEERN
C=CCSCCNC(=O)N1CCCN(Cc2csc(C)n2)CC1	ZINC000116427559	508513038	/nfs/dbraw/zinc/51/30/38/508513038.db2.gz	COWWTMJXYBQIJB-UHFFFAOYSA-N	0	0	354.545	2.588	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000128019071	508535939	/nfs/dbraw/zinc/53/59/39/508535939.db2.gz	DBQJKPBSZVCPCJ-AWEZNQCLSA-N	0	0	370.453	2.720	10	30		FFEERN
Cc1cccc(N2CCC(NC(=O)[C@H](C)Oc3ccccc3C#N)CC2)n1	ZINC000116671074	508544432	/nfs/dbraw/zinc/54/44/32/508544432.db2.gz	RPGSUNFSVYOXKR-INIZCTEOSA-N	0	0	364.449	2.814	10	30		FFEERN
Cc1cnn([C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C#N)C2)c1	ZINC000157471857	508570873	/nfs/dbraw/zinc/57/08/73/508570873.db2.gz	RMUGYQYZTDAVKZ-ZDUSSCGKSA-N	0	0	364.858	2.742	10	30		FFEERN
C=CCOc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1OC	ZINC000135408629	508600149	/nfs/dbraw/zinc/60/01/49/508600149.db2.gz	GFRQMKAQJBUXIP-ZDUSSCGKSA-N	0	0	356.426	2.679	10	30		FFEERN
C=CCOc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1OC	ZINC000135408650	508600211	/nfs/dbraw/zinc/60/02/11/508600211.db2.gz	GFRQMKAQJBUXIP-CYBMUJFWSA-N	0	0	356.426	2.679	10	30		FFEERN
CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2C#N)no1	ZINC000122978196	508617721	/nfs/dbraw/zinc/61/77/21/508617721.db2.gz	MFDPUTIWDSJQPM-CYBMUJFWSA-N	0	0	364.402	2.730	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1cccc(C)c1C#N	ZINC000137468560	508757685	/nfs/dbraw/zinc/75/76/85/508757685.db2.gz	BAWCUNMRPFLVLE-MRXNPFEDSA-N	0	0	358.467	2.743	10	30		FFEERN
Cc1sc(NC(=O)CN2CC[C@H](Oc3cccnc3)C2)c(C#N)c1C	ZINC000154697666	508836276	/nfs/dbraw/zinc/83/62/76/508836276.db2.gz	MXRNEPZZDYNUTK-HNNXBMFYSA-N	0	0	356.451	2.723	10	30		FFEERN
CCCC[C@@H](NC(N)=O)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	ZINC000124645276	508863197	/nfs/dbraw/zinc/86/31/97/508863197.db2.gz	QOAFVKQUCIVSQV-OAHLLOKOSA-N	0	0	371.466	2.771	10	30		FFEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000150711858	508879168	/nfs/dbraw/zinc/87/91/68/508879168.db2.gz	XTUWBASCPARAQJ-OAHLLOKOSA-N	0	0	353.426	2.521	10	30		FFEERN
FC(F)(F)Oc1ccc(C#CCN2CCO[C@@H](Cn3cccn3)C2)cc1	ZINC000159987241	508920619	/nfs/dbraw/zinc/92/06/19/508920619.db2.gz	RXPUJHJOFOIGOM-QGZVFWFLSA-N	0	0	365.355	2.534	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)c1nnc2n1CCCC2	ZINC000132432779	509031663	/nfs/dbraw/zinc/03/16/63/509031663.db2.gz	CFFRBJYSBZQNME-GFCCVEGCSA-N	0	0	357.389	2.648	10	30		FFEERN
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCCC[C@H]1c1nccs1	ZINC000127099953	509166878	/nfs/dbraw/zinc/16/68/78/509166878.db2.gz	IQGMLZHXTHTKGC-AWEZNQCLSA-N	0	0	358.398	2.846	10	30		FFEERN
COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(C#N)c(C)n2)C1	ZINC000178925400	509185819	/nfs/dbraw/zinc/18/58/19/509185819.db2.gz	ULPIEFHFCASTAW-QZTJIDSGSA-N	0	0	363.417	2.681	10	30		FFEERN
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCn2nc(C)nc21	ZINC000175878286	509195006	/nfs/dbraw/zinc/19/50/06/509195006.db2.gz	DLQDQZQPIFYQIN-QGZVFWFLSA-N	0	0	352.442	2.915	10	30		FFEERN
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1CO	ZINC000175912490	509212760	/nfs/dbraw/zinc/21/27/60/509212760.db2.gz	LBYVTWPPTRELSS-ZBFHGGJFSA-N	0	0	354.372	2.907	10	30		FFEERN
COc1ccnc(NC2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)n1	ZINC000191935067	509252705	/nfs/dbraw/zinc/25/27/05/509252705.db2.gz	MXHMJDWMIAFYHF-UHFFFAOYSA-N	0	0	370.388	2.604	10	30		FFEERN
N#CCCCOc1cccnc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000188782590	509260592	/nfs/dbraw/zinc/26/05/92/509260592.db2.gz	DEWGZKCOMHSSHH-KXBFYZLASA-N	0	0	358.442	2.923	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cccc(SCC#N)c1)CC2	ZINC000176063633	509306264	/nfs/dbraw/zinc/30/62/64/509306264.db2.gz	VRLDOPHOBILRAS-AWEZNQCLSA-N	0	0	355.467	2.762	10	30		FFEERN
C=CC[C@H](CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1	ZINC000248489558	509342003	/nfs/dbraw/zinc/34/20/03/509342003.db2.gz	HNKCJYCDIOHCCW-MANSERQUSA-N	0	0	356.466	2.513	10	30		FFEERN
N#Cc1ccc(NCc2cccnc2-n2cncn2)c(Br)c1	ZINC000179506078	509483585	/nfs/dbraw/zinc/48/35/85/509483585.db2.gz	DDXRPZBLXHOXCE-UHFFFAOYSA-N	0	0	355.199	2.909	10	30		FFEERN
CCn1cnnc1[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1	ZINC000164798356	509535338	/nfs/dbraw/zinc/53/53/38/509535338.db2.gz	HCSLMPMFDLWPIK-MRXNPFEDSA-N	0	0	367.453	2.733	10	30		FFEERN
CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cccc(C#N)c1	ZINC000176520453	509559983	/nfs/dbraw/zinc/55/99/83/509559983.db2.gz	LGSCWAMWNKHFCE-QGZVFWFLSA-N	0	0	355.463	2.765	10	30		FFEERN
N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1	ZINC000179677589	509570507	/nfs/dbraw/zinc/57/05/07/509570507.db2.gz	TUFJPPFWGNIIPL-SFHVURJKSA-N	0	0	372.432	2.631	10	30		FFEERN
Cc1ccc([C@@H]2CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CCO2)o1	ZINC000167749822	509639748	/nfs/dbraw/zinc/63/97/48/509639748.db2.gz	ANOUOUNUXKJEEW-HNNXBMFYSA-N	0	0	368.361	2.500	10	30		FFEERN
CN1c2ccc(CN3CCN(Cc4ccccc4)[C@@H](C#N)C3)cc2CCC1=O	ZINC000249451722	509684334	/nfs/dbraw/zinc/68/43/34/509684334.db2.gz	OPSZTNUADLBWHX-NRFANRHFSA-N	0	0	374.488	2.806	10	30		FFEERN
CCOC(=O)[C@@H](NS(=O)(=O)CCCCC#N)c1ccc(Cl)cc1	ZINC000192990748	509727423	/nfs/dbraw/zinc/72/74/23/509727423.db2.gz	RASGXPDZMCNNEB-AWEZNQCLSA-N	0	0	358.847	2.557	10	30		FFEERN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1c1noc(C(C)C)n1	ZINC000173722655	509739794	/nfs/dbraw/zinc/73/97/94/509739794.db2.gz	GBRNJFMFGKCVAX-CQSZACIVSA-N	0	0	360.439	2.899	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cn1	ZINC000183653981	509907796	/nfs/dbraw/zinc/90/77/96/509907796.db2.gz	CCEDBHCDTRWOLK-VOTSOKGWSA-N	0	0	360.333	2.699	10	30		FFEERN
CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000190155435	509974244	/nfs/dbraw/zinc/97/42/44/509974244.db2.gz	FGHFSZSHFUELQR-ROUUACIJSA-N	0	0	355.442	2.690	10	30		FFEERN
C=CCOc1ccc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1OC	ZINC000190158574	509975276	/nfs/dbraw/zinc/97/52/76/509975276.db2.gz	KJTVDMJEICLJIE-JKSUJKDBSA-N	0	0	359.426	2.913	10	30		FFEERN
C=C[C@@H](CC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1)c1ccccc1	ZINC000245674527	510074825	/nfs/dbraw/zinc/07/48/25/510074825.db2.gz	STLJCNASEXZSSR-FUHWJXTLSA-N	0	0	365.481	2.963	10	30		FFEERN
C=CCCO[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000190555401	510203600	/nfs/dbraw/zinc/20/36/00/510203600.db2.gz	KRVITEUYVSTOQZ-HZPDHXFCSA-N	0	0	351.516	2.713	10	30		FFEERN
C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccccc2OCC#N)C1	ZINC000190641327	510255458	/nfs/dbraw/zinc/25/54/58/510255458.db2.gz	DEGDJKMRUJXSPU-GOSISDBHSA-N	0	0	364.449	2.578	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCC(Cc3ccccn3)CC2)ccc1F	ZINC000171642290	510270525	/nfs/dbraw/zinc/27/05/25/510270525.db2.gz	WGOSCIHRJSZJIR-UHFFFAOYSA-N	0	0	359.426	2.736	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1	ZINC000177827895	510275375	/nfs/dbraw/zinc/27/53/75/510275375.db2.gz	DOEXNOYNDMIXRI-LPHOPBHVSA-N	0	0	359.470	2.826	10	30		FFEERN
CCCC(=O)N[C@H]1CCCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000184355892	510281275	/nfs/dbraw/zinc/28/12/75/510281275.db2.gz	DOGVQPLPGQEWSK-GJZGRUSLSA-N	0	0	358.442	2.890	10	30		FFEERN
CCc1noc([C@@H](C)N2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)n1	ZINC000177913279	510322164	/nfs/dbraw/zinc/32/21/64/510322164.db2.gz	AVSHJZRVXKEARE-GFCCVEGCSA-N	0	0	372.404	2.553	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1Cc2ccccc2[C@H]1O	ZINC000178311495	510540201	/nfs/dbraw/zinc/54/02/01/510540201.db2.gz	GTFSLUDMKLNNAW-LAUBAEHRSA-N	0	0	366.417	2.500	10	30		FFEERN
CC(C)c1nnc(CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1C	ZINC000191724665	510802273	/nfs/dbraw/zinc/80/22/73/510802273.db2.gz	QUDVCHOMZIQQII-UHFFFAOYSA-N	0	0	372.372	2.803	10	30		FFEERN
C[C@@H]1CN([C@H](CNC(=O)Cc2ccc(C#N)cc2)c2cccs2)CCO1	ZINC000247029861	510807416	/nfs/dbraw/zinc/80/74/16/510807416.db2.gz	SJXKDUUUOOWXNX-CRAIPNDOSA-N	0	0	369.490	2.740	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCO[C@]3(CCOC3)C2)cc1	ZINC000329912065	510875619	/nfs/dbraw/zinc/87/56/19/510875619.db2.gz	WSVLEPLQPJVZKA-CMKODMSKSA-N	0	0	360.454	2.620	10	30		FFEERN
C[C@@H](C(=O)NC1C2CC3CC(C2)CC1C3)S(=O)(=O)C1CCOCC1	ZINC000330037033	510904484	/nfs/dbraw/zinc/90/44/84/510904484.db2.gz	CZEMFMHRQNLJQC-PQJKGVAHSA-N	0	0	355.500	2.750	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCOC2(CCCCC2)C1	ZINC000330203282	510936541	/nfs/dbraw/zinc/93/65/41/510936541.db2.gz	BXISRLOBPINAAM-ARFHVFGLSA-N	0	0	372.531	2.728	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1	ZINC000330204221	510936873	/nfs/dbraw/zinc/93/68/73/510936873.db2.gz	BLRYKWSBORXEMX-AAVRWANBSA-N	0	0	350.419	2.540	10	30		FFEERN
CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCc3cc[nH]c(=O)c3C1)C2	ZINC000330242000	510945931	/nfs/dbraw/zinc/94/59/31/510945931.db2.gz	FYBLEIBEBZXDJP-CQSZACIVSA-N	0	0	369.469	2.568	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@@H]2CCCn3ncnc32)cc1	ZINC000330263825	510951209	/nfs/dbraw/zinc/95/12/09/510951209.db2.gz	XBGSRIWJEHKRSV-BBWFWOEESA-N	0	0	355.442	2.845	10	30		FFEERN
COc1ccc2c(c1)C[C@H](C(=O)N[C@H]1CCCO[C@@H]1c1nccn1C)CO2	ZINC000330339498	510969834	/nfs/dbraw/zinc/96/98/34/510969834.db2.gz	WRZDOROIRJMKBP-ZVZYQTTQSA-N	0	0	371.437	2.857	10	30		FFEERN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000333464141	511252583	/nfs/dbraw/zinc/25/25/83/511252583.db2.gz	QGPOBJYOHHYLNY-FYQPLNBISA-N	0	0	372.513	2.697	10	30		FFEERN
Cc1noc([C@H]2CN(c3c(C#N)cnc4c(C)cc(C)cc43)CCN2C)n1	ZINC000284697482	511829645	/nfs/dbraw/zinc/82/96/45/511829645.db2.gz	YLUIMMGOYIEBEA-QGZVFWFLSA-N	0	0	362.437	2.908	10	30		FFEERN
O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N1CC[C@@H](CCO)C1	ZINC000328637685	511902433	/nfs/dbraw/zinc/90/24/33/511902433.db2.gz	BCDZJIQIYYEUTM-LBPRGKRZSA-N	0	0	357.376	2.814	10	30		FFEERN
Cc1noc(C2CCC(NC(=O)N[C@H]3CCC(=O)NC34CCC4)CC2)n1	ZINC000328728870	511921834	/nfs/dbraw/zinc/92/18/34/511921834.db2.gz	FCSSAHIAKOECIK-RUXDESIVSA-N	0	0	361.446	2.949	10	30		FFEERN
C[C@H](c1ccc(NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)cc1)N1CCOCC1	ZINC000328814331	511935482	/nfs/dbraw/zinc/93/54/82/511935482.db2.gz	BZQKZVGUKMVULQ-NIKGAXFTSA-N	0	0	359.470	2.973	10	30		FFEERN
C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCN(C(=O)Cc3ccccc3)C2)CCO1	ZINC000328898509	511947559	/nfs/dbraw/zinc/94/75/59/511947559.db2.gz	WRDYLWPYDMDEDI-QRQLOZEOSA-N	0	0	373.497	2.539	10	30		FFEERN
CN1CCO[C@@H]2CCN(C(=O)Nc3nc4c(s3)CCCCCC4)C[C@H]21	ZINC000329133261	511990195	/nfs/dbraw/zinc/99/01/95/511990195.db2.gz	PMNZAWDLUJGDDO-HUUCEWRRSA-N	0	0	364.515	2.753	10	30		FFEERN
C[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC2(CCOCC2)O1	ZINC000329350397	512031625	/nfs/dbraw/zinc/03/16/25/512031625.db2.gz	FBCXFIMLWGRVOK-SQWLQELKSA-N	0	0	367.490	2.704	10	30		FFEERN
O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329378257	512037037	/nfs/dbraw/zinc/03/70/37/512037037.db2.gz	OYCZTMCJICEWDG-KZNAEPCWSA-N	0	0	356.470	2.788	10	30		FFEERN
CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000329410978	512042215	/nfs/dbraw/zinc/04/22/15/512042215.db2.gz	DUDTUQCAEGWYBY-HUUCEWRRSA-N	0	0	361.490	2.710	10	30		FFEERN
O=C(N[C@@H]1CCOc2ccc(F)cc21)N1CCn2c(nnc2C2CC2)C1	ZINC000329431345	512046222	/nfs/dbraw/zinc/04/62/22/512046222.db2.gz	ILDNPBWSUWPHDY-CQSZACIVSA-N	0	0	357.389	2.548	10	30		FFEERN
O=C(N[C@H]1CCOc2ccc(F)cc21)N1CCn2c(nnc2C2CC2)C1	ZINC000329431344	512046327	/nfs/dbraw/zinc/04/63/27/512046327.db2.gz	ILDNPBWSUWPHDY-AWEZNQCLSA-N	0	0	357.389	2.548	10	30		FFEERN
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1F	ZINC000329546352	512067923	/nfs/dbraw/zinc/06/79/23/512067923.db2.gz	ICPVUAFWLXFPFB-PLYYQAHHSA-N	0	0	350.434	2.971	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)nn1	ZINC000329571615	512071593	/nfs/dbraw/zinc/07/15/93/512071593.db2.gz	IYJFBYYRTTYDBN-HOTGVXAUSA-N	0	0	371.485	2.501	10	30		FFEERN
CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1	ZINC000329601978	512075068	/nfs/dbraw/zinc/07/50/68/512075068.db2.gz	XVASXJHIODAFIU-QXCFHYIPSA-N	0	0	360.454	2.603	10	30		FFEERN
C[C@H](NC(=O)N1CC[C@@H](Oc2ccncc2)C1)c1ccc2c(c1)OCCO2	ZINC000329881813	512105036	/nfs/dbraw/zinc/10/50/36/512105036.db2.gz	OZZKWCRYPVTOQG-WMLDXEAASA-N	0	0	369.421	2.981	10	30		FFEERN
COC(=O)Cc1cc(I)cc(C(F)F)c1C#N	ZINC000575389192	518208836	/nfs/dbraw/zinc/20/88/36/518208836.db2.gz	DIMIQLQZWUOJDV-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)c1c(I)cc(OC(F)F)cc1C#N	ZINC000575385930	518209012	/nfs/dbraw/zinc/20/90/12/518209012.db2.gz	GSJSLFRBTSFHMU-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)Cc1c(I)c(C#N)ccc1C(F)(F)F	ZINC000575393145	518210153	/nfs/dbraw/zinc/21/01/53/518210153.db2.gz	ZZXIXOTTZOSIHB-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
COC(=O)c1cc(C#N)cc(C(F)(F)F)c1I	ZINC000575393143	518210327	/nfs/dbraw/zinc/21/03/27/518210327.db2.gz	ZYLIVPHUWKSPLD-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
N#CCc1cc([N+](=O)[O-])c(I)cc1OC(F)F	ZINC000575667458	518245666	/nfs/dbraw/zinc/24/56/66/518245666.db2.gz	OQQMMQIETHCABA-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
O=c1[nH]c2nccnc2c(=O)n1-c1ccc(C#Cc2ccccc2)cc1Cl	ZINC000584623387	518414952	/nfs/dbraw/zinc/41/49/52/518414952.db2.gz	UYFBQYADNCXVFV-UHFFFAOYSA-N	0	0	374.787	2.935	10	30		FFEERN
C[C@@H]1C(c2cccs2)=[N+]([O-])[C@](C)(C(=O)c2ccc(Cl)cc2)N1O	ZINC000575330092	519592324	/nfs/dbraw/zinc/59/23/24/519592324.db2.gz	JGFIEPUHZULZGF-PMQWOJHGSA-N	0	0	351.835	2.690	10	30		FFEERN
CO[C@@H](C)C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1	ZINC000328605009	523336551	/nfs/dbraw/zinc/33/65/51/523336551.db2.gz	LWVGJMARRHHIPO-ZJNRKIDTSA-N	0	0	374.416	2.522	10	30		FFEERN
Cc1[nH]c(=O)ccc1C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000328626371	527006305	/nfs/dbraw/zinc/00/63/05/527006305.db2.gz	LQJCODXNHYBQBP-SNVBAGLBSA-N	0	0	354.332	2.878	10	30		FFEERN
CC(C)C[C@@H](NC(=O)[C@H](NCCC#N)C(C)C)C(=O)Nc1ccccc1	ZINC000224545330	571211726	/nfs/dbraw/zinc/21/17/26/571211726.db2.gz	BSPUMGRSOHBPMB-QZTJIDSGSA-N	0	0	358.486	2.684	10	30		FFEERN
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC[C@@H](C)O2)nc1C	ZINC000153511628	728781723	/nfs/dbraw/zinc/78/17/23/728781723.db2.gz	BBMXKOKCTOWFSJ-SCZZXKLOSA-N	0	0	365.484	2.691	10	30		FFEERN
C=CCn1c(-c2ccccn2)nn(CN2CCC([C@@H](C)O)CC2)c1=S	ZINC000160450122	728922084	/nfs/dbraw/zinc/92/20/84/728922084.db2.gz	JICVBDMOOZACQQ-CQSZACIVSA-N	0	0	359.499	2.712	10	30		FFEERN
C=CCNc1nc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)cs1	ZINC000009723682	727803248	/nfs/dbraw/zinc/80/32/48/727803248.db2.gz	OPPHHWGDRCEMOC-UHFFFAOYSA-N	0	0	353.350	2.815	10	30		FFEERN
CCCC(=O)NCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000105757913	728508460	/nfs/dbraw/zinc/50/84/60/728508460.db2.gz	HSQZSORQGWIKPA-SNVBAGLBSA-N	0	0	356.209	2.557	10	30		FFEERN
C#CCSCCNC(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000127983583	728707823	/nfs/dbraw/zinc/70/78/23/728707823.db2.gz	BZZITIHXUMYKGO-GJZGRUSLSA-N	0	0	372.412	2.889	10	30		FFEERN
CCCCCCCS(=O)(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1	ZINC000195247469	729533655	/nfs/dbraw/zinc/53/36/55/729533655.db2.gz	SJSRGDLDKVSEQH-HNNXBMFYSA-N	0	0	372.535	2.611	10	30		FFEERN
C[C@@H]1OCC[C@@H]1NC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1	ZINC000329000736	729795900	/nfs/dbraw/zinc/79/59/00/729795900.db2.gz	VRNLYSAOMXFYHQ-ZANVPECISA-N	0	0	362.821	2.506	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NCCC2CCCCC2)C1	ZINC000329067901	729796215	/nfs/dbraw/zinc/79/62/15/729796215.db2.gz	XGODUJISSCZTGU-IRXDYDNUSA-N	0	0	351.491	2.583	10	30		FFEERN
O=C(Nc1cccc(-c2nccs2)c1)N1CC[C@@H](N2CCOCC2)C1	ZINC000329550308	729797897	/nfs/dbraw/zinc/79/78/97/729797897.db2.gz	AFRBTHRSGGIODH-MRXNPFEDSA-N	0	0	358.467	2.762	10	30		FFEERN
CC(=O)N1CCC(NC(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)CC1	ZINC000329699233	729798775	/nfs/dbraw/zinc/79/87/75/729798775.db2.gz	DBARVGNEKZEWLF-OAHLLOKOSA-N	0	0	364.515	2.864	10	30		FFEERN
C[C@@H]1OCC[C@@]12CN(C(=O)NC1CCC(C(F)(F)F)CC1)CCO2	ZINC000329937516	729799424	/nfs/dbraw/zinc/79/94/24/729799424.db2.gz	LPDLSNOCCGSTEN-LFUGVXIPSA-N	0	0	350.381	2.901	10	30		FFEERN
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CC(=O)N(CC(F)(F)F)C1	ZINC000330171621	729800163	/nfs/dbraw/zinc/80/01/63/729800163.db2.gz	FRDSEKAJOCWQHN-DTWKUNHWSA-N	0	0	361.286	2.686	10	30		FFEERN
Cc1nnc([C@H]2OCC[C@H]2CNc2ccc(C(F)(F)F)c(C#N)n2)[nH]1	ZINC000888094470	734010939	/nfs/dbraw/zinc/01/09/39/734010939.db2.gz	SRPRFJOBJFFYHR-ZANVPECISA-N	0	0	352.320	2.588	10	30		FFEERN
CNS(=O)(=O)c1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2C)c1	ZINC000588450107	845963323	/nfs/dbraw/zinc/96/33/23/845963323.db2.gz	VMIACKZHCHKJNP-CLFYSBASSA-N	0	0	360.391	2.707	10	30		FFEERN
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)[C@H]1CCc2ccccc21	ZINC000328922791	965052210	/nfs/dbraw/zinc/05/22/10/965052210.db2.gz	MRGJDGPKQRHIIO-IBGZPJMESA-N	0	0	355.482	2.617	10	30		FFEERN
CN=c1scc(-c2ccc(C#N)cc2)n1N=Cc1ccc(O)c(O)c1O	ZINC000588458228	965296651	/nfs/dbraw/zinc/29/66/51/965296651.db2.gz	WAHVFCSODKMZHX-UHFFFAOYSA-N	0	0	366.402	2.618	10	30		FFEERN
Cn1ccnc1CN1CCC(C(=O)N[C@@H]2CCN(c3ccccc3)C2)CC1	ZINC000329173243	967536750	/nfs/dbraw/zinc/53/67/50/967536750.db2.gz	LKWTZEUYGIAERK-GOSISDBHSA-N	0	0	367.497	2.868	10	30		FFEERN
C[C@@H](NC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1)c1cncc(F)c1	ZINC000329307937	967636882	/nfs/dbraw/zinc/63/68/82/967636882.db2.gz	PXAUZMPLKRKCNE-FSZRXZPDSA-N	0	0	364.465	2.769	10	30		FFEERN
Cc1cc([C@H]2CCCN2C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)on1	ZINC000329688485	967943777	/nfs/dbraw/zinc/94/37/77/967943777.db2.gz	VMWIKUKDKXUSJR-JKSUJKDBSA-N	0	0	370.457	2.801	10	30		FFEERN
CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc[nH]1	ZINC000097991762	209200639	/nfs/dbraw/zinc/20/06/39/209200639.db2.gz	PVCPDSGHBGIBBO-MTJSOVHGSA-N	0	0	368.466	2.523	10	30		FFEERN
N#Cc1cc(NC(=O)C(=O)NCCCCOCc2ccccc2)ccc1F	ZINC000102964504	250129554	/nfs/dbraw/zinc/12/95/54/250129554.db2.gz	HJGHDVXYHAFQJF-UHFFFAOYSA-N	0	0	369.396	2.749	10	30		FFEERN
N#Cc1ccsc1NC(=O)CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000121182642	250671687	/nfs/dbraw/zinc/67/16/87/250671687.db2.gz	UKMYOHBVKNNXTN-WFASDCNBSA-N	0	0	363.389	2.644	10	30		FFEERN
COc1cc(/C=N/NC(=S)N[C@H]2C[C@H]3C[C@@H]2[C@H]2C=CC[C@H]32)ccc1O	ZINC000004322413	207014325	/nfs/dbraw/zinc/01/43/25/207014325.db2.gz	NTMXTSMAUQTNMD-NVEPPVICSA-N	0	0	357.479	2.800	10	30		FFEERN
Cc1cc(Cl)ccc1Nc1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-]	ZINC000040590426	208258631	/nfs/dbraw/zinc/25/86/31/208258631.db2.gz	XCLZVDZFARGYHV-UHFFFAOYSA-N	0	0	357.761	2.944	10	30		FFEERN
Cc1nc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)sc1SCC#N	ZINC000044789027	132375388	/nfs/dbraw/zinc/37/53/88/132375388.db2.gz	QWKHWFVKFYAXGX-LBPRGKRZSA-N	0	0	374.495	2.712	10	30		FFEERN
CN1C(=O)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C(=O)C12CCCCC2	ZINC000006005928	506464526	/nfs/dbraw/zinc/46/45/26/506464526.db2.gz	CJJBNXCQNQRMSH-UHFFFAOYSA-N	0	0	374.828	2.747	10	30		FFEERN
Cc1ccccc1/N=C1\NC(=O)/C(=C/c2ccccc2OCC(N)=O)S1	ZINC000013914496	506957638	/nfs/dbraw/zinc/95/76/38/506957638.db2.gz	SBUHIQQARZTJSU-YBEGLDIGSA-N	0	0	367.430	2.751	10	30		FFEERN
C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2	ZINC000018891625	507151284	/nfs/dbraw/zinc/15/12/84/507151284.db2.gz	QQHCIMZTQFUWDK-KGLIPLIRSA-N	0	0	352.390	2.974	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2F)cc1Cl	ZINC000106889758	507826051	/nfs/dbraw/zinc/82/60/51/507826051.db2.gz	ZAKUHJPCOCGQGY-UHFFFAOYSA-N	0	0	372.780	2.847	10	30		FFEERN
CCCN(C[C@H]1CCCCO1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000106973641	507832540	/nfs/dbraw/zinc/83/25/40/507832540.db2.gz	OPBCGYISIAVKJO-OAHLLOKOSA-N	0	0	363.845	2.958	10	30		FFEERN
C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000108399319	507892766	/nfs/dbraw/zinc/89/27/66/507892766.db2.gz	YHSWDYLRGGXEBX-UHFFFAOYSA-N	0	0	371.418	2.984	10	30		FFEERN
N#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C1CC1	ZINC000108830129	507920620	/nfs/dbraw/zinc/92/06/20/507920620.db2.gz	ADVGCQLCODTOJA-QGZVFWFLSA-N	0	0	355.419	2.519	10	30		FFEERN
N#C[C@@H](NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)C1CC1	ZINC000108827777	507920771	/nfs/dbraw/zinc/92/07/71/507920771.db2.gz	ACZWVTRNEQZKJE-MJGOQNOKSA-N	0	0	361.401	2.661	10	30		FFEERN
N#C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1	ZINC000108836050	507921111	/nfs/dbraw/zinc/92/11/11/507921111.db2.gz	KJNSNHLCBNVGNM-KRWDZBQOSA-N	0	0	373.409	2.658	10	30		FFEERN
N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CC1	ZINC000108838291	507921359	/nfs/dbraw/zinc/92/13/59/507921359.db2.gz	LBNBFSFBGLGDNV-QGZVFWFLSA-N	0	0	355.419	2.519	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCC(Nc3cccnn3)CC2)cc1OC	ZINC000109639158	507974294	/nfs/dbraw/zinc/97/42/94/507974294.db2.gz	WDNGMIOEVMZFTB-UHFFFAOYSA-N	0	0	368.437	2.767	10	30		FFEERN
C=CC1CCN(C(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)CC1	ZINC000110362021	508024012	/nfs/dbraw/zinc/02/40/12/508024012.db2.gz	SGFWPVKBXRHFKW-IBGZPJMESA-N	0	0	374.481	2.883	10	30		FFEERN
Cc1cnn([C@H]2CCCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)c1	ZINC000111361012	508094039	/nfs/dbraw/zinc/09/40/39/508094039.db2.gz	LQUKDKQICIDBEJ-AWEZNQCLSA-N	0	0	364.858	2.742	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCN([C@@H](C)c3nc(CC)no3)CC2)cc1	ZINC000112035384	508145740	/nfs/dbraw/zinc/14/57/40/508145740.db2.gz	KMNLUNXNEFPKJR-HNNXBMFYSA-N	0	0	370.453	2.716	10	30		FFEERN
N#Cc1ccc(CCC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1	ZINC000112307616	508172849	/nfs/dbraw/zinc/17/28/49/508172849.db2.gz	YOKCVKCEORHURK-UHFFFAOYSA-N	0	0	367.474	2.927	10	30		FFEERN
CCCNC(=O)N1CC[C@]2(C1)NCc1ccccc1NC2=NC(C)(C)C	ZINC000097076914	508218275	/nfs/dbraw/zinc/21/82/75/508218275.db2.gz	GNPFXTHUNTVGTO-HXUWFJFHSA-N	0	0	357.502	2.963	10	30		FFEERN
N#Cc1cccnc1N1CCN(CC(=O)NCCCC2CCCCC2)CC1	ZINC000101543764	508243884	/nfs/dbraw/zinc/24/38/84/508243884.db2.gz	UDHSCECPEABIIF-UHFFFAOYSA-N	0	0	369.513	2.552	10	30		FFEERN
N#Cc1cccc(OCCSCC(=O)N2CCO[C@H]3CCCC[C@H]32)c1	ZINC000101585157	508249648	/nfs/dbraw/zinc/24/96/48/508249648.db2.gz	XARUMILBEGUEQX-MSOLQXFVSA-N	0	0	360.479	2.840	10	30		FFEERN
C=CCc1cc(C(=O)N[C@@H]2CCCn3nc(CC)nc32)cc(OC)c1OC	ZINC000088197431	508356420	/nfs/dbraw/zinc/35/64/20/508356420.db2.gz	KRRLAKGWXPTQQK-OAHLLOKOSA-N	0	0	370.453	2.851	10	30		FFEERN
CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(C)C)CC2	ZINC000114904095	508357235	/nfs/dbraw/zinc/35/72/35/508357235.db2.gz	FMSFFOIBJJDLSU-AWEZNQCLSA-N	0	0	368.441	2.636	10	30		FFEERN
CCc1nc2n(n1)C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)CC2	ZINC000114975839	508363469	/nfs/dbraw/zinc/36/34/69/508363469.db2.gz	JVURQNZMBRYLHH-KRWDZBQOSA-N	0	0	366.469	2.647	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCCn2nc(CC)nc21	ZINC000088390902	508368379	/nfs/dbraw/zinc/36/83/79/508368379.db2.gz	VRYROSFFXJGIIF-CYBMUJFWSA-N	0	0	357.389	2.648	10	30		FFEERN
C=CCCOCCNC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1	ZINC000127280226	508425436	/nfs/dbraw/zinc/42/54/36/508425436.db2.gz	NTTGFHRWADNSOS-UHFFFAOYSA-N	0	0	358.442	2.561	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1c1noc(C(C)C)n1	ZINC000127294632	508428881	/nfs/dbraw/zinc/42/88/81/508428881.db2.gz	HORRVHFGBQJUNB-HNNXBMFYSA-N	0	0	367.409	2.675	10	30		FFEERN
Cn1cc([C@@H]2CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)cn1	ZINC000116408229	508508236	/nfs/dbraw/zinc/50/82/36/508508236.db2.gz	AJMPGGVDWSANMM-OAHLLOKOSA-N	0	0	371.872	2.810	10	30		FFEERN
C#CCCOc1ccc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1	ZINC000122606014	508561433	/nfs/dbraw/zinc/56/14/33/508561433.db2.gz	ROIXGYVMXXVBOR-OAQYLSRUSA-N	0	0	353.466	2.803	10	30		FFEERN
C=CC[C@@H](C)NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1	ZINC000116863263	508568979	/nfs/dbraw/zinc/56/89/79/508568979.db2.gz	YLPZGYGIYKEFRN-NVXWUHKLSA-N	0	0	352.500	2.769	10	30		FFEERN
N#Cc1cc(NC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)ccc1F	ZINC000118818468	508678484	/nfs/dbraw/zinc/67/84/84/508678484.db2.gz	JLRJKCMIKUUWIT-LJQANCHMSA-N	0	0	368.412	2.580	10	30		FFEERN
CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2C#N)C12CCCC2	ZINC000119078713	508720603	/nfs/dbraw/zinc/72/06/03/508720603.db2.gz	LOILAYMZOLDYGE-SJORKVTESA-N	0	0	373.428	2.832	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1	ZINC000123842138	508746145	/nfs/dbraw/zinc/74/61/45/508746145.db2.gz	SSVAUEPLZUHIOJ-PKOBYXMFSA-N	0	0	356.447	2.835	10	30		FFEERN
COc1ccc(C#N)cc1CN1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000159956465	508917738	/nfs/dbraw/zinc/91/77/38/508917738.db2.gz	VHRUQGFRBQGWRY-UHFFFAOYSA-N	0	0	367.453	2.535	10	30		FFEERN
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1	ZINC000125775236	509028540	/nfs/dbraw/zinc/02/85/40/509028540.db2.gz	DDPHBDDZRUGHFJ-MNOVXSKESA-N	0	0	359.348	2.636	10	30		FFEERN
CC1(C)CCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000132935216	509093379	/nfs/dbraw/zinc/09/33/79/509093379.db2.gz	VPYOMLFCZASURN-KRWDZBQOSA-N	0	0	365.437	2.565	10	30		FFEERN
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@@H](NC(C)=O)C1	ZINC000191934077	509252163	/nfs/dbraw/zinc/25/21/63/509252163.db2.gz	XBYLQZRXGXAOOM-QGZVFWFLSA-N	0	0	371.481	2.604	10	30		FFEERN
Cc1nc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)ccc1C#N	ZINC000248568132	509369072	/nfs/dbraw/zinc/36/90/72/509369072.db2.gz	FLGCEESDJOFJRA-HRCADAONSA-N	0	0	370.453	2.637	10	30		FFEERN
N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000176461282	509523961	/nfs/dbraw/zinc/52/39/61/509523961.db2.gz	RNUYORHHDZMUNG-INIZCTEOSA-N	0	0	365.437	2.619	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000249272411	509643853	/nfs/dbraw/zinc/64/38/53/509643853.db2.gz	KYCLQVFGVGENIK-KSVNGYGVSA-N	0	0	366.502	2.977	10	30		FFEERN
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H]1c1noc(C(C)C)n1	ZINC000173722690	509740711	/nfs/dbraw/zinc/74/07/11/509740711.db2.gz	SJBSMGZFSGMXCS-CQSZACIVSA-N	0	0	360.439	2.899	10	30		FFEERN
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1	ZINC000173768740	509765944	/nfs/dbraw/zinc/76/59/44/509765944.db2.gz	DONOMSYNAUWWCG-RTBURBONSA-N	0	0	363.417	2.611	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1	ZINC000177073831	509855367	/nfs/dbraw/zinc/85/53/67/509855367.db2.gz	VBZQWHZZWMEOMZ-MRXNPFEDSA-N	0	0	357.414	2.673	10	30		FFEERN
C=CCO[C@H]1[C@H](OCC=C)[C@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]21	ZINC000255971999	509941853	/nfs/dbraw/zinc/94/18/53/509941853.db2.gz	FMKYMGOFTWEBLP-XHYRXIGBSA-N	0	0	362.422	2.614	10	30		FFEERN
CCn1cnnc1[C@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1	ZINC000177266217	509968522	/nfs/dbraw/zinc/96/85/22/509968522.db2.gz	OYSSBNYPXKTCLV-HNNXBMFYSA-N	0	0	355.467	2.933	10	30		FFEERN
COc1cc(C#N)ccc1OCC(=O)N1CCC(Nc2nccs2)CC1	ZINC000190440217	510131343	/nfs/dbraw/zinc/13/13/43/510131343.db2.gz	SHVGDEGMEPDGES-UHFFFAOYSA-N	0	0	372.450	2.505	10	30		FFEERN
CN1c2ccccc2N(C)C1=C1C(=O)CN([C@@H]2CCC[C@@H]3OCC[C@H]32)C1=N	ZINC000245764678	510136846	/nfs/dbraw/zinc/13/68/46/510136846.db2.gz	IYNCKUMVMXXBCY-IYOUNJFTSA-N	0	0	366.465	2.604	10	30		FFEERN
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](CNc2ccccn2)C1	ZINC000171647897	510278088	/nfs/dbraw/zinc/27/80/88/510278088.db2.gz	ZYGKDWJMFMIERY-AWEZNQCLSA-N	0	0	369.856	2.979	10	30		FFEERN
C#Cc1cccc(NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c1	ZINC000174785143	510309681	/nfs/dbraw/zinc/30/96/81/510309681.db2.gz	JURWGKFDQZHUQM-UHFFFAOYSA-N	0	0	365.437	2.668	10	30		FFEERN
C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC000178009807	510374198	/nfs/dbraw/zinc/37/41/98/510374198.db2.gz	ZNKQMPJYXLDPFG-SCLBCKFNSA-N	0	0	359.389	2.701	10	30		FFEERN
C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC000178009785	510374978	/nfs/dbraw/zinc/37/49/78/510374978.db2.gz	ZNKQMPJYXLDPFG-UGSOOPFHSA-N	0	0	359.389	2.701	10	30		FFEERN
N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H](n3cncn3)C2)c1	ZINC000171810480	510383143	/nfs/dbraw/zinc/38/31/43/510383143.db2.gz	VJDYNSQQOXVZAE-QGZVFWFLSA-N	0	0	353.426	2.563	10	30		FFEERN
C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCc2nc(CC)nn2C1	ZINC000172039925	510511879	/nfs/dbraw/zinc/51/18/79/510511879.db2.gz	JIARDRHSWDQPLE-HNNXBMFYSA-N	0	0	357.433	2.692	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CCN(C)c2ccccc21	ZINC000178446536	510607640	/nfs/dbraw/zinc/60/76/40/510607640.db2.gz	WUSPNTMPUYTMAC-INIZCTEOSA-N	0	0	362.433	2.545	10	30		FFEERN
COc1ccc(CN2CCOC[C@@H]2c2nc(C)no2)cc1OCCCC#N	ZINC000188472593	510785090	/nfs/dbraw/zinc/78/50/90/510785090.db2.gz	HQFNMWWDSZCOPE-MRXNPFEDSA-N	0	0	372.425	2.643	10	30		FFEERN
Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)cn1	ZINC000329902331	510873876	/nfs/dbraw/zinc/87/38/76/510873876.db2.gz	PHROPANBQYPFSV-OKZBNKHCSA-N	0	0	374.485	2.635	10	30		FFEERN
Cn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@@H]2Cc3ccccc3N(C)C2)cn1	ZINC000329923080	510879275	/nfs/dbraw/zinc/87/92/75/510879275.db2.gz	UGIMYJCVTJLBKG-UCLAIMLFSA-N	0	0	354.454	2.763	10	30		FFEERN
CC(C)NC(=O)NC1(C(=O)N2CC[C@H](Oc3ccccn3)C2)CCCCC1	ZINC000329957373	510887770	/nfs/dbraw/zinc/88/77/70/510887770.db2.gz	QDVXMRAXLDHSFT-INIZCTEOSA-N	0	0	374.485	2.676	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O	ZINC000330064101	510910110	/nfs/dbraw/zinc/91/01/10/510910110.db2.gz	CBELAQVAQXSGFW-JFIYKMOQSA-N	0	0	368.437	2.650	10	30		FFEERN
CC1(C)C[C@H](NC(=O)N2CC(=O)N(CC(F)(F)F)C2)c2ccccc2O1	ZINC000330127450	510921943	/nfs/dbraw/zinc/92/19/43/510921943.db2.gz	JAXUQWJFKVNGBF-LBPRGKRZSA-N	0	0	371.359	2.867	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)C1	ZINC000330179930	510930923	/nfs/dbraw/zinc/93/09/23/510930923.db2.gz	MWYUUIAPKKNMCX-BARDWOONSA-N	0	0	366.462	2.648	10	30		FFEERN
C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)O1	ZINC000330183445	510932280	/nfs/dbraw/zinc/93/22/80/510932280.db2.gz	HYEQLLBVTKVSQV-IARIHHJXSA-N	0	0	362.474	2.632	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)C1	ZINC000330195562	510935284	/nfs/dbraw/zinc/93/52/84/510935284.db2.gz	ZQPFXATVAAFEBC-JJXSEGSLSA-N	0	0	366.462	2.648	10	30		FFEERN
N#C[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C[C@H]1c1ccccc1	ZINC000330214099	510939311	/nfs/dbraw/zinc/93/93/11/510939311.db2.gz	LKPJNPUITQPXJH-QRVBRYPASA-N	0	0	369.465	2.868	10	30		FFEERN
N#Cc1cccc(C(=O)N2CCC(NC(=O)c3ccccc3F)CC2)c1	ZINC000364648944	510992659	/nfs/dbraw/zinc/99/26/59/510992659.db2.gz	DPWCFLMVITXFJB-UHFFFAOYSA-N	0	0	351.381	2.732	10	30		FFEERN
O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000328598413	511889755	/nfs/dbraw/zinc/88/97/55/511889755.db2.gz	BCTXYGDPBVBYTO-XWCCPHMRSA-N	0	0	353.466	2.619	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC[C@@H]2CCCC(F)(F)C2)C1	ZINC000328652692	511908798	/nfs/dbraw/zinc/90/87/98/511908798.db2.gz	BWLZBDBYCMGGEK-FRRDWIJNSA-N	0	0	358.389	2.879	10	30		FFEERN
C[C@H](N1CCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1)C(F)(F)F	ZINC000328724109	511920890	/nfs/dbraw/zinc/92/08/90/511920890.db2.gz	YJFHCEJPNGKMBI-RYUDHWBXSA-N	0	0	362.396	2.510	10	30		FFEERN
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1	ZINC000328735025	511923011	/nfs/dbraw/zinc/92/30/11/511923011.db2.gz	IUPVUVBKXHCOTJ-IXTLTBCSSA-N	0	0	355.504	2.611	10	30		FFEERN
CO[C@@H]1CC[C@H]2OCCN(CC(=O)Nc3nc4c(s3)CCCC4)[C@H]2C1	ZINC000328797317	511932293	/nfs/dbraw/zinc/93/22/93/511932293.db2.gz	VQDGGARJFFJXEG-VHDGCEQUSA-N	0	0	365.499	2.878	10	30		FFEERN
C[C@]1(CNC(=O)N[C@H]2CCN(C(=O)Cc3ccccc3)C2)CCCS1	ZINC000328845797	511939941	/nfs/dbraw/zinc/93/99/41/511939941.db2.gz	AHNACPFRPCLKCJ-QFBILLFUSA-N	0	0	361.511	2.619	10	30		FFEERN
Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC3)CCO2)n1	ZINC000328895125	511948138	/nfs/dbraw/zinc/94/81/38/511948138.db2.gz	VBWVYTAQYVWUFN-VNHYZAJKSA-N	0	0	364.471	2.636	10	30		FFEERN
Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@@]12CCOc1ccccc12	ZINC000328932068	511952759	/nfs/dbraw/zinc/95/27/59/511952759.db2.gz	BKQWMCGYSJKFRL-MZRZTIOWSA-N	0	0	353.422	2.947	10	30		FFEERN
Cc1cnc(-c2cccc(NC(=O)N3CC[C@H]4OCCN(C)[C@H]4C3)c2)o1	ZINC000329055802	511974416	/nfs/dbraw/zinc/97/44/16/511974416.db2.gz	XTCGSICAJNRNEX-DLBZAZTESA-N	0	0	356.426	2.600	10	30		FFEERN
Cn1cc([C@H]2CN(C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)C[C@@H]2C(N)=O)cn1	ZINC000329085627	511979415	/nfs/dbraw/zinc/97/94/15/511979415.db2.gz	UHKLJPUAUHVKSY-CNLQAYEWSA-N	0	0	359.474	2.854	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NCC(C)(C)C2CCCC2)C1	ZINC000329090173	511979937	/nfs/dbraw/zinc/97/99/37/511979937.db2.gz	WINOACGBVPVBKW-IRXDYDNUSA-N	0	0	365.518	2.829	10	30		FFEERN
Cc1noc([C@H]([NH+]=C([O-])N[C@@H]2CCc3ccccc3C2)C2CCOCC2)n1	ZINC000329142699	511992323	/nfs/dbraw/zinc/99/23/23/511992323.db2.gz	VDRPOTXSGPWNIM-QZTJIDSGSA-N	0	0	370.453	2.907	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)no1	ZINC000329327005	512027666	/nfs/dbraw/zinc/02/76/66/512027666.db2.gz	UHYOHRYLXJKXCU-RISCZKNCSA-N	0	0	358.398	2.961	10	30		FFEERN
CC[C@H](C)[C@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C	ZINC000329333689	512028839	/nfs/dbraw/zinc/02/88/39/512028839.db2.gz	KJPLEGTVVLKBLD-LUXYFRNMSA-N	0	0	361.490	2.507	10	30		FFEERN
CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CCC(c3nccs3)CC1)CC2	ZINC000329341443	512030180	/nfs/dbraw/zinc/03/01/80/512030180.db2.gz	OZEPPJDPKXKDCR-CQSZACIVSA-N	0	0	374.514	2.966	10	30		FFEERN
O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCCCC[C@@H]1c1ccccc1	ZINC000329390516	512038390	/nfs/dbraw/zinc/03/83/90/512038390.db2.gz	SGKUDMCSYYRMHA-RCCFBDPRSA-N	0	0	355.442	2.749	10	30		FFEERN
Cc1ccc2oc(N3CCN(C(=O)NC[C@@]4(C)CCOC4)CC3)nc2c1	ZINC000329409044	512040620	/nfs/dbraw/zinc/04/06/20/512040620.db2.gz	ACQQBWVPFQQVAA-LJQANCHMSA-N	0	0	358.442	2.599	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N2CCC[C@H]2C2CCCCC2)CC(=O)N1C	ZINC000329417859	512041199	/nfs/dbraw/zinc/04/11/99/512041199.db2.gz	DNLNUAKQCZSUOE-JTDSTZFVSA-N	0	0	373.501	2.651	10	30		FFEERN
Cc1noc([C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C2CCOCC2)n1	ZINC000329521472	512062968	/nfs/dbraw/zinc/06/29/68/512062968.db2.gz	QUYAJQWDDZCTPT-JKSUJKDBSA-N	0	0	374.445	2.710	10	30		FFEERN
CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329581275	512072767	/nfs/dbraw/zinc/07/27/67/512072767.db2.gz	LFGIDMJYANPJRH-JKSUJKDBSA-N	0	0	359.474	2.501	10	30		FFEERN
Cn1cncc1[C@H]1[C@H](NC(=O)[C@@H]2CCCSC2)CCC(=O)N1C1CC1	ZINC000329595890	512074506	/nfs/dbraw/zinc/07/45/06/512074506.db2.gz	VOEGCWJWWINABN-SUYBPPKGSA-N	0	0	362.499	2.714	10	30		FFEERN
Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@@H]1CCCNC1=O)CC2	ZINC000329831202	512102678	/nfs/dbraw/zinc/10/26/78/512102678.db2.gz	KMBHEENECCRSHZ-BXKDBHETSA-N	0	0	356.348	2.984	10	30		FFEERN
CO[C@H]1C[C@H](C(=O)NCC(C)(C)C2CCCCC2)N(S(C)(=O)=O)C1	ZINC000329900148	512106121	/nfs/dbraw/zinc/10/61/21/512106121.db2.gz	NMRFPXQCGGTCNQ-LSDHHAIUSA-N	0	0	360.520	2.598	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H]3[C@H]3CCCO3)C2)n1	ZINC000408024332	512985245	/nfs/dbraw/zinc/98/52/45/512985245.db2.gz	ZMMKIHIAJXVUMN-IPMKNSEASA-N	0	0	368.481	2.648	10	30		FFEERN
Cc1c(C(=O)N[C@H]2CCC[C@H]2C#N)sc2nc3n(c(=O)c12)CCCCC3	ZINC000408331989	513046244	/nfs/dbraw/zinc/04/62/44/513046244.db2.gz	TXTPYXYZGOKDTI-STQMWFEESA-N	0	0	370.478	2.915	10	30		FFEERN
Cc1c(C(=O)N[C@H]2CCC[C@@H]2C#N)sc2nc3n(c(=O)c12)CCCCC3	ZINC000408331987	513046650	/nfs/dbraw/zinc/04/66/50/513046650.db2.gz	TXTPYXYZGOKDTI-OLZOCXBDSA-N	0	0	370.478	2.915	10	30		FFEERN
COC(=O)Cc1cc(C(F)F)cc(I)c1C#N	ZINC000575389217	518208634	/nfs/dbraw/zinc/20/86/34/518208634.db2.gz	FQQXKVWZUUNJIC-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)c1cc(C#N)c(I)c(OC(F)F)c1	ZINC000575386536	518208820	/nfs/dbraw/zinc/20/88/20/518208820.db2.gz	WXBXZVVNUZAQCT-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)Cc1c(I)ccc(C#N)c1C(F)F	ZINC000575389457	518208828	/nfs/dbraw/zinc/20/88/28/518208828.db2.gz	NERWDUWWIMXFGB-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
CCOC[C@@H]1CN(c2ncc(Cl)c(C)c2C#N)C[C@H]1c1cnn(C)c1	ZINC000585655506	518558504	/nfs/dbraw/zinc/55/85/04/518558504.db2.gz	YDPJHCSUTYJVHB-HOCLYGCPSA-N	0	0	359.861	2.905	10	30		FFEERN
COC(=O)c1ccc(COc2ccc(/C=N/N3CCN(C)CC3)cc2)cc1	ZINC000005162770	522046592	/nfs/dbraw/zinc/04/65/92/522046592.db2.gz	YTAAOBRRHZTZRG-PXLXIMEGSA-N	0	0	367.449	2.634	10	30		FFEERN
C=CCc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(OCC)c1OC	ZINC000096453595	728481134	/nfs/dbraw/zinc/48/11/34/728481134.db2.gz	IADSRYWPLSYNEL-LCYFTJDESA-N	0	0	360.435	2.919	10	30		FFEERN
C#Cc1cccc(N(C)S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)c1	ZINC000103061318	728493885	/nfs/dbraw/zinc/49/38/85/728493885.db2.gz	KQWJPWFCIJOOGQ-UHFFFAOYSA-N	0	0	363.822	2.933	10	30		FFEERN
C#CCOc1cccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)c1	ZINC000108183091	728520490	/nfs/dbraw/zinc/52/04/90/728520490.db2.gz	LUKTVEDYJZWEED-UHFFFAOYSA-N	0	0	357.431	2.673	10	30		FFEERN
CCCCCCCS(=O)(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000195262635	729534145	/nfs/dbraw/zinc/53/41/45/729534145.db2.gz	UVBQMJIMSXKHAQ-KRWDZBQOSA-N	0	0	356.536	2.907	10	30		FFEERN
Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1CCS(=O)(=O)c3ccccc31)C2	ZINC000329782034	729798941	/nfs/dbraw/zinc/79/89/41/729798941.db2.gz	NPZHSCAVAKBQSU-XJKSGUPXSA-N	0	0	359.451	2.629	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000332910679	729805206	/nfs/dbraw/zinc/80/52/06/729805206.db2.gz	XSDVCZSDNSIHAF-YNEHKIRRSA-N	0	0	355.364	2.941	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O	ZINC000333553157	729809057	/nfs/dbraw/zinc/80/90/57/729809057.db2.gz	FXVKSBPYZGGVBD-GLQYFDAESA-N	0	0	353.344	2.972	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2C1=O	ZINC000009702235	1013310496	/nfs/dbraw/zinc/31/04/96/1013310496.db2.gz	GXVUQEYSUWRBBR-UHFFFAOYSA-N	0	0	366.329	2.734	10	30		FFEERN
O=C(Nc1cccc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1)[C@H]1CCCO1	ZINC000328861665	964901937	/nfs/dbraw/zinc/90/19/37/964901937.db2.gz	YYPXJKYLUAVNQT-BZUAXINKSA-N	0	0	357.410	2.645	10	30		FFEERN
COc1ccccc1C(=O)N[C@@H](C(=O)N1CCOCC2(CC2)C1)C(C)C	ZINC000329314187	967639454	/nfs/dbraw/zinc/63/94/54/967639454.db2.gz	DKBFREZKJKTMGO-QGZVFWFLSA-N	0	0	360.454	2.663	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@@H](C)c3ccccn3)C2)nn1	ZINC000329680299	967937062	/nfs/dbraw/zinc/93/70/62/967937062.db2.gz	RHBMVEDMOGVDTM-HOTGVXAUSA-N	0	0	354.458	2.756	10	30		FFEERN
N#C[C@H]1CCC[C@@H]1NCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1	ZINC000333260098	978087929	/nfs/dbraw/zinc/08/79/29/978087929.db2.gz	CIVWJJOMYGYLKW-WBVHZDCISA-N	0	0	369.465	2.625	10	30		FFEERN
C#CCOc1cccc(NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)c1	ZINC000108289887	978416571	/nfs/dbraw/zinc/41/65/71/978416571.db2.gz	BWDSHRAYUHPUTM-INIZCTEOSA-N	0	0	370.355	2.968	10	30		FFEERN
COc1cccc2c1CCN([C@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000193724102	999980461	/nfs/dbraw/zinc/98/04/61/999980461.db2.gz	QGFSPIPKMKESMG-KRWDZBQOSA-N	0	0	367.474	2.834	10	30		FFEERN
C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C)[C@H]1CC[C@]21O[C@@H]1CO	ZINC000261493298	210006279	/nfs/dbraw/zinc/00/62/79/210006279.db2.gz	OVQVCDLENXCQBC-WQOYNUHDSA-N	0	0	350.499	2.635	10	30		FFEERN
Cc1ccc(CNC(=O)N2CCCN(c3ncccc3C#N)CC2)s1	ZINC000056608884	206783550	/nfs/dbraw/zinc/78/35/50/206783550.db2.gz	IACHJWYIPDBTAO-UHFFFAOYSA-N	0	0	355.467	2.745	10	30		FFEERN
COC(=O)c1sc(NC(=O)c2ccc(C#N)cc2)c(C(=O)OC)c1C	ZINC000009472536	207272388	/nfs/dbraw/zinc/27/23/88/207272388.db2.gz	GEJMFONCQKLKCD-UHFFFAOYSA-N	0	0	358.375	2.754	10	30		FFEERN
N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1	ZINC000010629448	207303044	/nfs/dbraw/zinc/30/30/44/207303044.db2.gz	CRKIVRABLAVDNQ-QGZVFWFLSA-N	0	0	352.419	2.960	10	30		FFEERN
N#CCCN1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)CC1	ZINC000033352713	208089034	/nfs/dbraw/zinc/08/90/34/208089034.db2.gz	RZJQWLAJGQIBJC-QINSGFPZSA-N	0	0	360.870	2.842	10	30		FFEERN
NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O	ZINC000033514045	208093733	/nfs/dbraw/zinc/09/37/33/208093733.db2.gz	BYTAYBLQWQKLCE-CHHVJCJISA-N	0	0	374.190	2.929	10	30		FFEERN
CC(=O)c1ccc(C#N)cc1N1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000302134393	258090305	/nfs/dbraw/zinc/09/03/05/258090305.db2.gz	ZKCHFEFABHTKHL-UHFFFAOYSA-N	0	0	365.437	2.734	10	30		FFEERN
C/C(=N/OC(=O)COc1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1	ZINC000005494444	263341664	/nfs/dbraw/zinc/34/16/64/263341664.db2.gz	OYQOECDTLMNLPM-NDENLUEZSA-N	0	0	371.784	2.662	10	30		FFEERN
N#Cc1ccc(Cl)cc1NC(=O)CSc1nnnn1-c1ccccc1	ZINC000003504174	506338470	/nfs/dbraw/zinc/33/84/70/506338470.db2.gz	LEPMNVIAFQCFQK-UHFFFAOYSA-N	0	0	370.825	2.918	10	30		FFEERN
Cc1nn(C)c(Cl)c1C=CC(=O)ONC(=N)c1ccc(Cl)cc1	ZINC000004284820	506369547	/nfs/dbraw/zinc/36/95/47/506369547.db2.gz	KVCAGFZDISRVLS-BQYQJAHWSA-N	0	0	353.209	2.912	10	30		FFEERN
CCCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n[nH]c1=O	ZINC000007364947	506556162	/nfs/dbraw/zinc/55/61/62/506556162.db2.gz	JRLJGNPAUQQMNM-SECBINFHSA-N	0	0	365.846	2.626	10	30		FFEERN
N#Cc1cccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1	ZINC000007753216	506587612	/nfs/dbraw/zinc/58/76/12/506587612.db2.gz	YKCLPJQIYCZDQE-UHFFFAOYSA-N	0	0	372.310	2.869	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1=O	ZINC000007915891	506603089	/nfs/dbraw/zinc/60/30/89/506603089.db2.gz	OGHKEVDSGMMEPG-UHFFFAOYSA-N	0	0	351.318	2.629	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2C1=O	ZINC000010286201	506736325	/nfs/dbraw/zinc/73/63/25/506736325.db2.gz	VWVMBVJLWCXSJG-GFCCVEGCSA-N	0	0	366.339	2.883	10	30		FFEERN
C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1	ZINC000108726917	507914513	/nfs/dbraw/zinc/91/45/13/507914513.db2.gz	AANSNWMWVNYNKP-ZDUSSCGKSA-N	0	0	374.404	2.817	10	30		FFEERN
N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C1CC1	ZINC000108827659	507920758	/nfs/dbraw/zinc/92/07/58/507920758.db2.gz	RXVGMMLPXDBSIP-QMTHXVAHSA-N	0	0	352.221	2.765	10	30		FFEERN
CCn1c(SCC(=O)N[C@@H](C#N)C2CC2)nnc1-c1ccccc1C	ZINC000108831970	507921185	/nfs/dbraw/zinc/92/11/85/507921185.db2.gz	OLJCXCLOUVGURE-HNNXBMFYSA-N	0	0	355.467	2.784	10	30		FFEERN
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1nc2n(c1C#N)CCS2	ZINC000109727418	507983789	/nfs/dbraw/zinc/98/37/89/507983789.db2.gz	ANJVGAWSKGXGJM-UHFFFAOYSA-N	0	0	358.471	2.511	10	30		FFEERN
C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1cccc(-n2ccnc2)c1	ZINC000076661840	508238554	/nfs/dbraw/zinc/23/85/54/508238554.db2.gz	BOOJQHJDINBJPN-CQSZACIVSA-N	0	0	359.389	2.560	10	30		FFEERN
Cc1ccc(S(=O)(=O)OC[C@@H]2OCCc3c4c(ccc32)C(=O)OC4)cc1	ZINC000113520621	508270630	/nfs/dbraw/zinc/27/06/30/508270630.db2.gz	SNMOMLNXZUEJDQ-SFHVURJKSA-N	0	0	374.414	2.685	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(CCOc3ccc(C#N)cc3)CC2)cn1	ZINC000106145702	508396536	/nfs/dbraw/zinc/39/65/36/508396536.db2.gz	ICNGAPQFAYZHPB-UHFFFAOYSA-N	0	0	367.497	2.706	10	30		FFEERN
C=CCSc1ccccc1NC(=O)CN1CCC[C@H](Cn2cncn2)C1	ZINC000106175183	508396747	/nfs/dbraw/zinc/39/67/47/508396747.db2.gz	HBRFLZOWGKUMJY-INIZCTEOSA-N	0	0	371.510	2.907	10	30		FFEERN
C=CCCO[C@@H](C)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1	ZINC000106391528	508400022	/nfs/dbraw/zinc/40/00/22/508400022.db2.gz	AUAQNLJLMVVXQJ-KRWDZBQOSA-N	0	0	369.465	2.967	10	30		FFEERN
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCn2nc(COC)nc21	ZINC000122519721	508548293	/nfs/dbraw/zinc/54/82/93/508548293.db2.gz	WLGZLKNZLNUDKP-MRXNPFEDSA-N	0	0	355.442	2.657	10	30		FFEERN
COCCN1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C	ZINC000157695025	508598969	/nfs/dbraw/zinc/59/89/69/508598969.db2.gz	BDTVNVYZKNATSI-HNNXBMFYSA-N	0	0	360.458	2.530	10	30		FFEERN
CC(C)c1nc([C@H]2CCCN2CCS(=O)(=O)c2cccc(C#N)c2)no1	ZINC000128556749	508611306	/nfs/dbraw/zinc/61/13/06/508611306.db2.gz	CTVZYPAUZPSTAG-MRXNPFEDSA-N	0	0	374.466	2.675	10	30		FFEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000157807182	508614903	/nfs/dbraw/zinc/61/49/03/508614903.db2.gz	WGTVGDXWJUWXQV-HNNXBMFYSA-N	0	0	354.414	2.902	10	30		FFEERN
COc1ccc(C#N)cc1CN1CCCN(C(=O)c2cccs2)CC1	ZINC000128836238	508648898	/nfs/dbraw/zinc/64/88/98/508648898.db2.gz	BFPVLIDFTWOATG-UHFFFAOYSA-N	0	0	355.463	2.976	10	30		FFEERN
CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)C12CCCC2	ZINC000119105125	508726812	/nfs/dbraw/zinc/72/68/12/508726812.db2.gz	NAESTBUKYUKITM-IAGOWNOFSA-N	0	0	355.438	2.693	10	30		FFEERN
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000158787491	508752250	/nfs/dbraw/zinc/75/22/50/508752250.db2.gz	WETMUKHITUVQPA-UONOGXRCSA-N	0	0	374.384	2.909	10	30		FFEERN
CCn1cc(C2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)cn1	ZINC000123891795	508754063	/nfs/dbraw/zinc/75/40/63/508754063.db2.gz	RUPPVYMVQZZDKF-HNNXBMFYSA-N	0	0	352.438	2.948	10	30		FFEERN
C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCS1	ZINC000158869876	508761939	/nfs/dbraw/zinc/76/19/39/508761939.db2.gz	INQVPCOZORUGLI-VIFPVBQESA-N	0	0	350.387	2.703	10	30		FFEERN
CC(C)(C)OC(=O)N1CCCC[C@@H]1c1nnn(-c2cccc(C#N)c2)n1	ZINC000140824101	508808934	/nfs/dbraw/zinc/80/89/34/508808934.db2.gz	FVFGANCFSMVKMP-OAHLLOKOSA-N	0	0	354.414	2.996	10	30		FFEERN
CC(C)(C)OC(=O)N1CCCC[C@H]1c1nnn(-c2cccc(C#N)c2)n1	ZINC000140824288	508809302	/nfs/dbraw/zinc/80/93/02/508809302.db2.gz	FVFGANCFSMVKMP-HNNXBMFYSA-N	0	0	354.414	2.996	10	30		FFEERN
COc1ccc([C@H]2CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3)C2)cc1	ZINC000159447086	508843133	/nfs/dbraw/zinc/84/31/33/508843133.db2.gz	IFLKHUFMMUFJLW-KRWDZBQOSA-N	0	0	363.417	2.716	10	30		FFEERN
C#CCOCCC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2	ZINC000160436425	508987029	/nfs/dbraw/zinc/98/70/29/508987029.db2.gz	AGAJXYANNJPKNJ-UHFFFAOYSA-N	0	0	355.463	2.680	10	30		FFEERN
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000132283108	509009794	/nfs/dbraw/zinc/00/97/94/509009794.db2.gz	KXWLTCKLCMQSOY-CHWSQXEVSA-N	0	0	356.455	2.809	10	30		FFEERN
C[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)N1CCSCC1	ZINC000151542162	509039894	/nfs/dbraw/zinc/03/98/94/509039894.db2.gz	PWTKACBPTAJCMK-ZDUSSCGKSA-N	0	0	372.519	2.981	10	30		FFEERN
N#Cc1ccccc1NC(=O)CCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000121564425	509178584	/nfs/dbraw/zinc/17/85/84/509178584.db2.gz	NGIBGEQAOMMNMM-HNAYVOBHSA-N	0	0	371.387	2.973	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2CCCC[C@@H]2c2nnc3n2CCCC3)cc1	ZINC000195511133	509204256	/nfs/dbraw/zinc/20/42/56/509204256.db2.gz	HQZFNKKSNZUTLE-QGZVFWFLSA-N	0	0	364.453	2.652	10	30		FFEERN
N#CCCCOc1cccnc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000188782520	509259801	/nfs/dbraw/zinc/25/98/01/509259801.db2.gz	DEWGZKCOMHSSHH-DNVCBOLYSA-N	0	0	358.442	2.923	10	30		FFEERN
N#Cc1ccc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)cc1F	ZINC000192005653	509289851	/nfs/dbraw/zinc/28/98/51/509289851.db2.gz	SXSDLZVYMQUJQG-UHFFFAOYSA-N	0	0	355.417	2.666	10	30		FFEERN
Cc1ccc([C@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)o1	ZINC000182576423	509312045	/nfs/dbraw/zinc/31/20/45/509312045.db2.gz	ZGZACWGYZZUJTK-JKSUJKDBSA-N	0	0	372.494	2.709	10	30		FFEERN
N#Cc1cc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)ccc1F	ZINC000172968301	509328207	/nfs/dbraw/zinc/32/82/07/509328207.db2.gz	KVTXXGBDJSHPKO-UHFFFAOYSA-N	0	0	352.369	2.583	10	30		FFEERN
Cc1cc(N2CCN(Cc3cccn3Cc3ccccc3C#N)CC2)n[nH]1	ZINC000189016774	509371482	/nfs/dbraw/zinc/37/14/82/509371482.db2.gz	WCEHIUIXGTWZCP-UHFFFAOYSA-N	0	0	360.465	2.762	10	30		FFEERN
CN1C(=O)CC[C@H](C(=O)Nc2ccc(C#N)c(C#N)c2)[C@@H]1c1ccccc1	ZINC000173097575	509390680	/nfs/dbraw/zinc/39/06/80/509390680.db2.gz	WABYIVGRANJMTN-ICSRJNTNSA-N	0	0	358.401	2.978	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc(SCC#N)c2)C1	ZINC000189078470	509402000	/nfs/dbraw/zinc/40/20/00/509402000.db2.gz	IPFRWFJLJAYVDW-DZGCQCFKSA-N	0	0	358.423	2.596	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000189098530	509410375	/nfs/dbraw/zinc/41/03/75/509410375.db2.gz	KNQXZHXZYNZVCV-JKSUJKDBSA-N	0	0	352.394	2.535	10	30		FFEERN
C=CCn1c(S[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)C)n[nH]c1=O	ZINC000163759904	509420176	/nfs/dbraw/zinc/42/01/76/509420176.db2.gz	LYLVTLHGMXHYKU-HIFRSBDPSA-N	0	0	360.483	2.752	10	30		FFEERN
Cc1ccc([C@@H](CNC(=O)c2cccc(C#N)c2)N2CCOCC2)s1	ZINC000176549879	509577705	/nfs/dbraw/zinc/57/77/05/509577705.db2.gz	SEYVULSAAALZEV-QGZVFWFLSA-N	0	0	355.463	2.732	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cc(C#N)cs3)C[C@@H]21	ZINC000183246853	509676588	/nfs/dbraw/zinc/67/65/88/509676588.db2.gz	QCWHBEWFUVBURS-MELADBBJSA-N	0	0	361.467	2.995	10	30		FFEERN
Cc1oc(NC(=O)[C@H](C)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C#N)c1C	ZINC000249557576	509712113	/nfs/dbraw/zinc/71/21/13/509712113.db2.gz	KKFUQWVOTSJURA-NUTKFTJISA-N	0	0	373.478	2.865	10	30		FFEERN
C=CC[C@@H](C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1)c1ccccc1	ZINC000249577573	509715107	/nfs/dbraw/zinc/71/51/07/509715107.db2.gz	PWONVFIAQPVZPT-QZTJIDSGSA-N	0	0	365.481	2.963	10	30		FFEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)CC2	ZINC000180083228	509744044	/nfs/dbraw/zinc/74/40/44/509744044.db2.gz	SMXNNAAEYSWMGA-KGLIPLIRSA-N	0	0	368.441	2.829	10	30		FFEERN
C=CC[C@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1)c1ccccc1	ZINC000189937201	509839965	/nfs/dbraw/zinc/83/99/65/509839965.db2.gz	PWONVFIAQPVZPT-ROUUACIJSA-N	0	0	365.481	2.963	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000189970939	509860609	/nfs/dbraw/zinc/86/06/09/509860609.db2.gz	KYCLQVFGVGENIK-ZKNHNOBHSA-N	0	0	366.502	2.977	10	30		FFEERN
COc1cccc(C=Nc2cnn(C)c2C(=O)NCc2ccco2)c1OC	ZINC000254593187	509907520	/nfs/dbraw/zinc/90/75/20/509907520.db2.gz	LPSNCJXGNYWDDQ-UHFFFAOYSA-N	0	0	368.393	2.711	10	30		FFEERN
COC(=O)c1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000254824249	509910647	/nfs/dbraw/zinc/91/06/47/509910647.db2.gz	LBYWLEHAMUPNJQ-UHFFFAOYSA-N	0	0	368.414	2.939	10	30		FFEERN
CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cccc(F)c1C#N	ZINC000190084837	509929918	/nfs/dbraw/zinc/92/99/18/509929918.db2.gz	QQPIGQXUMNMMJL-QGZVFWFLSA-N	0	0	373.453	2.904	10	30		FFEERN
N#Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)ccc1Cl	ZINC000190132763	509955793	/nfs/dbraw/zinc/95/57/93/509955793.db2.gz	MYIZEJXHMNWHAZ-OAHLLOKOSA-N	0	0	357.801	2.627	10	30		FFEERN
CCN(CC)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	ZINC000193760616	510054991	/nfs/dbraw/zinc/05/49/91/510054991.db2.gz	BKMUSQAZLJGFPQ-UHFFFAOYSA-N	0	0	351.406	2.944	10	30		FFEERN
CCO[C@@H]1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)C12CCOCC2	ZINC000187141142	510082868	/nfs/dbraw/zinc/08/28/68/510082868.db2.gz	UEWQJLWPDCPCNX-IAGOWNOFSA-N	0	0	360.479	2.741	10	30		FFEERN
C=CC[C@H](C(=O)N1CCC(c2ccnn2CCO)CC1)c1ccccc1	ZINC000187327491	510197400	/nfs/dbraw/zinc/19/74/00/510197400.db2.gz	WCSSKVBSKBUNBB-IBGZPJMESA-N	0	0	353.466	2.941	10	30		FFEERN
C=CCc1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc(OC)c1OC	ZINC000177789784	510253831	/nfs/dbraw/zinc/25/38/31/510253831.db2.gz	CAQOWXBKUGCESJ-QGZVFWFLSA-N	0	0	355.438	2.934	10	30		FFEERN
C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000187598876	510348044	/nfs/dbraw/zinc/34/80/44/510348044.db2.gz	UDYCQEJXXSUQOD-JQFCIGGWSA-N	0	0	356.447	2.622	10	30		FFEERN
CCO[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2F)C12CCCC2	ZINC000190819715	510359270	/nfs/dbraw/zinc/35/92/70/510359270.db2.gz	PGGAVDCYSSPHBP-IRXDYDNUSA-N	0	0	373.428	2.832	10	30		FFEERN
COc1cc(/C=C/C(=O)N[C@H]2COc3ccccc3C2)ccc1OCC#N	ZINC000194454971	510373650	/nfs/dbraw/zinc/37/36/50/510373650.db2.gz	FDTVKZJXRCWIRG-UGAXZCSASA-N	0	0	364.401	2.731	10	30		FFEERN
C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC000178009795	510374427	/nfs/dbraw/zinc/37/44/27/510374427.db2.gz	ZNKQMPJYXLDPFG-FZKQIMNGSA-N	0	0	359.389	2.701	10	30		FFEERN
C=CCSCCNC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1	ZINC000171851414	510410293	/nfs/dbraw/zinc/41/02/93/510410293.db2.gz	ZOCLAXJHNWFYTB-UHFFFAOYSA-N	0	0	360.483	2.887	10	30		FFEERN
C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1nnc2n1CCCC2	ZINC000178197730	510485604	/nfs/dbraw/zinc/48/56/04/510485604.db2.gz	PQCOYPJBWSDIIT-CQSZACIVSA-N	0	0	364.453	2.921	10	30		FFEERN
Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1	ZINC000172113080	510550666	/nfs/dbraw/zinc/55/06/66/510550666.db2.gz	DIJRPPHKSXDVBF-UHFFFAOYSA-N	0	0	366.469	2.567	10	30		FFEERN
Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000188102566	510594251	/nfs/dbraw/zinc/59/42/51/510594251.db2.gz	JARRAQSKUJJYBD-SFHVURJKSA-N	0	0	373.416	2.888	10	30		FFEERN
CCOCCN1CCN(C(=O)Nc2cc(C#N)ccc2OCC)C[C@@H]1C	ZINC000172314639	510662373	/nfs/dbraw/zinc/66/23/73/510662373.db2.gz	VZFMCFHFSZCECO-HNNXBMFYSA-N	0	0	360.458	2.531	10	30		FFEERN
C=CCSc1ccccc1NC(=O)CN1CCOC[C@H]1c1nc(C)no1	ZINC000185083768	510675751	/nfs/dbraw/zinc/67/57/51/510675751.db2.gz	UFEYELRFKIERHG-HNNXBMFYSA-N	0	0	374.466	2.668	10	30		FFEERN
N#Cc1cccc(CNC(=O)N2CCN(c3nc4ccccc4o3)CC2)c1	ZINC000172354230	510686286	/nfs/dbraw/zinc/68/62/86/510686286.db2.gz	FVHSSRGAQJXGQO-UHFFFAOYSA-N	0	0	361.405	2.731	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2CCCN(Cc3noc(C)n3)CC2)c1	ZINC000175593391	510686883	/nfs/dbraw/zinc/68/68/83/510686883.db2.gz	NCHGPQPXLNUYCS-UHFFFAOYSA-N	0	0	371.441	2.683	10	30		FFEERN
C=CCSCCNC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1	ZINC000178614628	510688051	/nfs/dbraw/zinc/68/80/51/510688051.db2.gz	QZWINEYFCLECNZ-HNNXBMFYSA-N	0	0	369.556	2.648	10	30		FFEERN
Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H](C)C2	ZINC000182313112	510848346	/nfs/dbraw/zinc/84/83/46/510848346.db2.gz	CRDAHJOFFXSTTF-KZULUSFZSA-N	0	0	351.381	2.994	10	30		FFEERN
CO[C@@H]1CC[C@H](NC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)C1	ZINC000329975515	510891648	/nfs/dbraw/zinc/89/16/48/510891648.db2.gz	DSMIZTWJYSPMRL-BBWFWOEESA-N	0	0	374.485	2.616	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCC[C@@](C)(OC)CC1)CCC2	ZINC000329998471	510897396	/nfs/dbraw/zinc/89/73/96/510897396.db2.gz	SHVIOWRVUVXEGU-VQIMIIECSA-N	0	0	364.490	2.712	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCO[C@@H](C2CC2)C1	ZINC000330174657	510929874	/nfs/dbraw/zinc/92/98/74/510929874.db2.gz	IKQVBIKYFZRASC-BRWVUGGUSA-N	0	0	352.381	2.820	10	30		FFEERN
O=C(N[C@@H]1CCn2ccnc2C1)N1CCC[C@H]1c1nc2ccccc2[nH]1	ZINC000330236715	510944488	/nfs/dbraw/zinc/94/44/88/510944488.db2.gz	AIJIKRXMWKGCTP-CJNGLKHVSA-N	0	0	350.426	2.825	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cn1	ZINC000330338566	510969804	/nfs/dbraw/zinc/96/98/04/510969804.db2.gz	VOBGKCBRNBDZSJ-KYHPRHEASA-N	0	0	365.499	2.992	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(CC)c2)[C@]12CCCO2	ZINC000330348679	510971684	/nfs/dbraw/zinc/97/16/84/510971684.db2.gz	IZMAXGOCKGIUPO-DOEOUOAPSA-N	0	0	363.458	2.664	10	30		FFEERN
O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000328599803	511889650	/nfs/dbraw/zinc/88/96/50/511889650.db2.gz	CLPXFRSFPWPQAK-HCXYKTFWSA-N	0	0	371.481	2.811	10	30		FFEERN
COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)N[C@@H]1CCc3nc(C)nn3C1)CCO2	ZINC000328603345	511890168	/nfs/dbraw/zinc/89/01/68/511890168.db2.gz	FTASJMXVTNUKOG-OWDMVUQNSA-N	0	0	368.437	2.607	10	30		FFEERN
CC(C)C(=O)N[C@H]1CCCN(C(=O)Cc2cc(F)cc3c2OCOC3)C1	ZINC000328639716	511903892	/nfs/dbraw/zinc/90/38/92/511903892.db2.gz	CFEUAPWMHUDHDL-INIZCTEOSA-N	0	0	364.417	2.838	10	30		FFEERN
Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC(c2nccs2)CC1	ZINC000328746929	511925186	/nfs/dbraw/zinc/92/51/86/511925186.db2.gz	LLNXBMIRVMWDJP-UHFFFAOYSA-N	0	0	369.454	2.852	10	30		FFEERN
COc1ccc2ccccc2c1CNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1	ZINC000328900014	511947622	/nfs/dbraw/zinc/94/76/22/511947622.db2.gz	XVEVZIHTCPNHGE-ICSRJNTNSA-N	0	0	369.465	2.667	10	30		FFEERN
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@]1(O)CCSC1	ZINC000328920419	511950277	/nfs/dbraw/zinc/95/02/77/511950277.db2.gz	BARZGJBNVIKQDN-FRFSOERESA-N	0	0	353.488	2.756	10	30		FFEERN
Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000328942205	511952920	/nfs/dbraw/zinc/95/29/20/511952920.db2.gz	LGBPQEKRWRBUIQ-JJRVBVJISA-N	0	0	371.485	2.963	10	30		FFEERN
Cc1noc([C@@H]2CCN(C(=O)Nc3cc(Br)ccn3)C2)n1	ZINC000329069508	511976313	/nfs/dbraw/zinc/97/63/13/511976313.db2.gz	YDNFCJCFEKKTKI-SECBINFHSA-N	0	0	352.192	2.571	10	30		FFEERN
C[C@H](NC(=O)N[C@H]1CCO[C@@H]1c1cccnc1)[C@H]1COc2ccccc21	ZINC000329083118	511979092	/nfs/dbraw/zinc/97/90/92/511979092.db2.gz	SJMQSEIUOVVAFU-WITVHBPWSA-N	0	0	353.422	2.980	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N[C@@H]2CCCCC2(C)C)CC(=O)N1C1CC1	ZINC000329098799	511983531	/nfs/dbraw/zinc/98/35/31/511983531.db2.gz	YWTDYSBANUUELL-QGPMSJSTSA-N	0	0	373.501	2.697	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H](C)[C@@H]1COc2ccccc21	ZINC000329098117	511983592	/nfs/dbraw/zinc/98/35/92/511983592.db2.gz	YSFQTJXFVICPRT-VKZRIFJHSA-N	0	0	370.453	2.801	10	30		FFEERN
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)O2	ZINC000329271776	512017649	/nfs/dbraw/zinc/01/76/49/512017649.db2.gz	IFRHQISYHVRNAI-WQAKAFBOSA-N	0	0	360.380	2.900	10	30		FFEERN
COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCO[C@H](c2noc(C)n2)C1	ZINC000329309130	512023599	/nfs/dbraw/zinc/02/35/99/512023599.db2.gz	FKLNUGJDSRCPOG-IRXDYDNUSA-N	0	0	372.425	2.752	10	30		FFEERN
O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC2(CCCC2)c2cccc(F)c21	ZINC000329366293	512034372	/nfs/dbraw/zinc/03/43/72/512034372.db2.gz	GXRZLOFCYQUQJZ-JKSUJKDBSA-N	0	0	371.416	2.603	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)no1	ZINC000329402021	512040560	/nfs/dbraw/zinc/04/05/60/512040560.db2.gz	WHRNZGIUYJSBHG-KBPBESRZSA-N	0	0	372.473	2.938	10	30		FFEERN
C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)C1CCN(CC(F)(F)F)CC1	ZINC000329601962	512074892	/nfs/dbraw/zinc/07/48/92/512074892.db2.gz	XUOKTWRDMQEDRH-SPWCGHHHSA-N	0	0	364.408	2.657	10	30		FFEERN
Cc1csc([C@@H](NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)C2CC2)n1	ZINC000329673955	512085133	/nfs/dbraw/zinc/08/51/33/512085133.db2.gz	TUMYWAYIDWZEQO-BMFZPTHFSA-N	0	0	364.515	2.612	10	30		FFEERN
CO[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)N(S(C)(=O)=O)C1	ZINC000329849597	512104084	/nfs/dbraw/zinc/10/40/84/512104084.db2.gz	NVFWSDRNDKBWFT-XUWVNRHRSA-N	0	0	374.547	2.987	10	30		FFEERN
C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H]1O	ZINC000408088061	512997038	/nfs/dbraw/zinc/99/70/38/512997038.db2.gz	DECNBZITKBHCAM-LTDKPHRXSA-N	0	0	357.454	2.661	10	30		FFEERN
C[C@@H]1CSCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000408204814	513019425	/nfs/dbraw/zinc/01/94/25/513019425.db2.gz	WJXDTQKORDORRB-HIFRSBDPSA-N	0	0	362.474	2.813	10	30		FFEERN
CO[C@@]1(C)CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000408288760	513039083	/nfs/dbraw/zinc/03/90/83/513039083.db2.gz	ZXBKXRPIESLEQV-UZLBHIALSA-N	0	0	374.460	2.877	10	30		FFEERN
CO[C@@]1(C)CCCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1	ZINC000408324949	513044363	/nfs/dbraw/zinc/04/43/63/513044363.db2.gz	TVLHDYZKAVTXFP-RXVVDRJESA-N	0	0	370.497	2.896	10	30		FFEERN
CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2ccc(F)cc2C#N)C1	ZINC000548664817	517121731	/nfs/dbraw/zinc/12/17/31/517121731.db2.gz	ACFXQEWIIINFDA-GOSISDBHSA-N	0	0	358.442	2.700	10	30		FFEERN
CCOC(=O)c1cc(I)c(C#N)c(OC(F)F)c1	ZINC000575386119	518208989	/nfs/dbraw/zinc/20/89/89/518208989.db2.gz	MHCOLEGLBHXCFV-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
O=C(NCCC1=CCCC1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1	ZINC000328620639	527585964	/nfs/dbraw/zinc/58/59/64/527585964.db2.gz	HESGJSYPSPJUSW-SFHVURJKSA-N	0	0	371.485	2.865	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N1CCO[C@H]2CCCC[C@@H]21	ZINC000046490934	536879245	/nfs/dbraw/zinc/87/92/45/536879245.db2.gz	WZAKRTUBGTXHBP-IRXDYDNUSA-N	0	0	358.438	2.896	10	30		FFEERN
C=CCn1c(C2CC2)nn(CN2CCC[C@@H](NC(=O)CCC)C2)c1=S	ZINC000101538945	728485972	/nfs/dbraw/zinc/48/59/72/728485972.db2.gz	SAHHXBFPAUAHEU-OAHLLOKOSA-N	0	0	363.531	2.816	10	30		FFEERN
C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CSCN2C(C)=O)c1	ZINC000102858159	728493059	/nfs/dbraw/zinc/49/30/59/728493059.db2.gz	STWSSJHLYJWETJ-SFHVURJKSA-N	0	0	354.431	2.716	10	30		FFEERN
C#CCCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000126578945	728704159	/nfs/dbraw/zinc/70/41/59/728704159.db2.gz	KDYMPMWFDOYUGQ-CQSZACIVSA-N	0	0	352.774	2.569	10	30		FFEERN
C=CCn1c(-c2ccncc2)nn(CN2CCC([C@H](C)O)CC2)c1=S	ZINC000173354470	729045001	/nfs/dbraw/zinc/04/50/01/729045001.db2.gz	UTTYDTLSZOFMRK-AWEZNQCLSA-N	0	0	359.499	2.712	10	30		FFEERN
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C#N)CC1	ZINC000173804938	729054499	/nfs/dbraw/zinc/05/44/99/729054499.db2.gz	ASRYLEPZTKVUMW-GJZGRUSLSA-N	0	0	350.463	2.625	10	30		FFEERN
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1	ZINC000177612077	729140393	/nfs/dbraw/zinc/14/03/93/729140393.db2.gz	FHNMGSUGARBZJA-LBPRGKRZSA-N	0	0	363.380	2.938	10	30		FFEERN
C=C(Br)COC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1	ZINC000179150927	729178919	/nfs/dbraw/zinc/17/89/19/729178919.db2.gz	JQDOHDNBYXLBRY-TZMCWYRMSA-N	0	0	356.191	2.797	10	30		FFEERN
N#Cc1ccc(CNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(F)c1	ZINC000187036436	729371720	/nfs/dbraw/zinc/37/17/20/729371720.db2.gz	URCDMFOXYYOYAP-HOTGVXAUSA-N	0	0	359.426	2.676	10	30		FFEERN
Cc1nc([C@H](C)NC(=O)Nc2nc(CN3CCOCC3)cs2)cs1	ZINC000329320943	729797200	/nfs/dbraw/zinc/79/72/00/729797200.db2.gz	RKKVTMWBVWXVPW-JTQLQIEISA-N	0	0	367.500	2.827	10	30		FFEERN
Cc1ncc(CN2CCN(C(=O)CNC(=O)C3CCCCC3)CC2)s1	ZINC000329475219	729797619	/nfs/dbraw/zinc/79/76/19/729797619.db2.gz	OXVQKZVKVPDECZ-UHFFFAOYSA-N	0	0	364.515	2.633	10	30		FFEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCC3CCSCC3)C2)n1	ZINC000329627936	729798289	/nfs/dbraw/zinc/79/82/89/729798289.db2.gz	HCSWYOOHVXCEBB-INIZCTEOSA-N	0	0	351.520	2.664	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2cccc(Cl)c2C#N)C1	ZINC000705692498	734360601	/nfs/dbraw/zinc/36/06/01/734360601.db2.gz	VRVHOFPTGZZAIR-ABAIWWIYSA-N	0	0	351.834	2.851	10	30		FFEERN
N#Cc1ccccc1OC1CCC(NC(=O)N2CCN(C3CC3)CC2)CC1	ZINC000329247615	967577663	/nfs/dbraw/zinc/57/76/63/967577663.db2.gz	RZMRLGXWTXQCQD-UHFFFAOYSA-N	0	0	368.481	2.942	10	30		FFEERN
COCCN(C)c1ccc(/C=C2\COc3c(OC)cccc3C2=O)cn1	ZINC000588579576	967597971	/nfs/dbraw/zinc/59/79/71/967597971.db2.gz	UUORJRRAOUTNPC-RVDMUPIBSA-N	0	0	354.406	2.832	10	30		FFEERN
CC(=O)Nc1ccc(/C=C/C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1	ZINC000130328436	981993103	/nfs/dbraw/zinc/99/31/03/981993103.db2.gz	QISWDZMKZWPCBJ-IZZDOVSWSA-N	0	0	361.401	2.820	10	30		FFEERN
C#Cc1cccc(N(C)C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)c1	ZINC000103102474	1000029068	/nfs/dbraw/zinc/02/90/68/1000029068.db2.gz	SZMVBONETYPMQN-MDZDMXLPSA-N	0	0	360.417	2.963	10	30		FFEERN
C#CCN(Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000104092431	1004419049	/nfs/dbraw/zinc/41/90/49/1004419049.db2.gz	SQDDTEPCWYWPQK-HXUWFJFHSA-N	0	0	364.470	2.848	10	30		FFEERN
C#CCN(C(=O)c1cc2c(ccc3ccccc23)[nH]1)[C@H]1CCS(=O)(=O)C1	ZINC000104309661	1004528870	/nfs/dbraw/zinc/52/88/70/1004528870.db2.gz	CLINBSGVHKDQNA-HNNXBMFYSA-N	0	0	366.442	2.584	10	30		FFEERN
CNC(=O)c1ccc(/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1	ZINC000102200686	1005070971	/nfs/dbraw/zinc/07/09/71/1005070971.db2.gz	UCZJEPGEKNFIIN-UXBLZVDNSA-N	0	0	352.390	2.909	10	30		FFEERN
C=CCc1ccc(OC(=O)/C=C/c2cncc(C(=O)NC)c2)c(OC)c1	ZINC000110173813	1005910404	/nfs/dbraw/zinc/91/04/04/1005910404.db2.gz	TVSJWOUINJNVTI-VQHVLOKHSA-N	0	0	352.390	2.797	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000106368901	250265375	/nfs/dbraw/zinc/26/53/75/250265375.db2.gz	HVYASQWXGQRKHE-INIZCTEOSA-N	0	0	362.430	2.574	10	30		FFEERN
Cc1ccc(/C=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1	ZINC000005942789	207124328	/nfs/dbraw/zinc/12/43/28/207124328.db2.gz	ZVWZMJVPXGPSMP-ATVHPVEESA-N	0	0	350.465	2.828	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)no1	ZINC000162951323	251163360	/nfs/dbraw/zinc/16/33/60/251163360.db2.gz	YZVWREVXTKZOIL-INIZCTEOSA-N	0	0	368.437	2.888	10	30		FFEERN
Cc1nc(C[C@H]2CCCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)no1	ZINC000162951421	251162588	/nfs/dbraw/zinc/16/25/88/251162588.db2.gz	YZVWREVXTKZOIL-MRXNPFEDSA-N	0	0	368.437	2.888	10	30		FFEERN
Cc1cccc(NC(=O)C(=O)N[C@H](C)COCc2ccccc2)c1C#N	ZINC000173534687	251200174	/nfs/dbraw/zinc/20/01/74/251200174.db2.gz	YGKCSAAFVBNQFL-OAHLLOKOSA-N	0	0	351.406	2.527	10	30		FFEERN
Cc1c(C(=O)Nc2cccc(C)c2C)oc2c1C(=NNC(=N)N)CCC2	ZINC000040824750	208271429	/nfs/dbraw/zinc/27/14/29/208271429.db2.gz	OCWYFXKNQXPZAB-OEAKJJBVSA-N	0	0	353.426	2.981	10	30		FFEERN
CC(=O)c1ccc(C#N)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1	ZINC000302006948	258081503	/nfs/dbraw/zinc/08/15/03/258081503.db2.gz	AKOZDEZFOUGULI-VXKWHMMOSA-N	0	0	361.445	2.850	10	30		FFEERN
N#Cc1ccc(N2CC[C@H](C(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)c(F)c1	ZINC000329324120	258135512	/nfs/dbraw/zinc/13/55/12/258135512.db2.gz	SGJOJGFLXFKCBK-KFKAGJAMSA-N	0	0	357.429	2.694	10	30		FFEERN
COC(=O)c1cc(C#N)cc(I)c1C(F)(F)F	ZINC000575392628	518209485	/nfs/dbraw/zinc/20/94/85/518209485.db2.gz	JPFJQCWLAIJHQL-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
COC(=O)c1cc(OC(F)(F)F)c(C#N)cc1I	ZINC000575392632	518209607	/nfs/dbraw/zinc/20/96/07/518209607.db2.gz	VLGWUHFGRGPBPH-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
N#Cc1c(Br)ccc([N+](=O)[O-])c1I	ZINC000575692278	518249654	/nfs/dbraw/zinc/24/96/54/518249654.db2.gz	MOWWCYAIICSDNE-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
COc1ccc(-c2n[nH]cc2C=NNS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000020368060	507218180	/nfs/dbraw/zinc/21/81/80/507218180.db2.gz	GRWZJUKMBMTUNF-UDWIEESQSA-N	0	0	370.434	2.706	10	30		FFEERN
N#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)C1CC1	ZINC000108828831	507920726	/nfs/dbraw/zinc/92/07/26/507920726.db2.gz	SKMLGNHIVFBZBF-GOSISDBHSA-N	0	0	354.431	2.692	10	30		FFEERN
CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H](C#N)C1CC1	ZINC000108830457	507921366	/nfs/dbraw/zinc/92/13/66/507921366.db2.gz	OHVNLZSTANAWRT-OCCSQVGLSA-N	0	0	366.508	2.769	10	30		FFEERN
N#C[C@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)C1CC1	ZINC000108833861	507921557	/nfs/dbraw/zinc/92/15/57/507921557.db2.gz	AWBQEVDRWUHJNG-SFHVURJKSA-N	0	0	359.385	2.515	10	30		FFEERN
N#CCc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1	ZINC000079016172	507926203	/nfs/dbraw/zinc/92/62/03/507926203.db2.gz	USMRLSMXZFKPMP-INIZCTEOSA-N	0	0	355.419	2.793	10	30		FFEERN
C=CC1CCN(C(=O)[C@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)CC1	ZINC000110362024	508023792	/nfs/dbraw/zinc/02/37/92/508023792.db2.gz	SGFWPVKBXRHFKW-LJQANCHMSA-N	0	0	374.481	2.883	10	30		FFEERN
C=CCNC(=O)NC(=O)CN1C[C@H](c2ccccc2Cl)OCC1(C)C	ZINC000111308519	508089132	/nfs/dbraw/zinc/08/91/32/508089132.db2.gz	WPZFJTNIQSSUFU-OAHLLOKOSA-N	0	0	365.861	2.504	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)c1	ZINC000111736634	508118249	/nfs/dbraw/zinc/11/82/49/508118249.db2.gz	BPTCPGFLKYRZST-LJQANCHMSA-N	0	0	370.453	2.998	10	30		FFEERN
CCc1noc([C@@H](C)N2CCN(C(=O)Nc3cc(C#N)ccc3C)CC2)n1	ZINC000112126401	508153441	/nfs/dbraw/zinc/15/34/41/508153441.db2.gz	QEDLZBWCPZUPLE-CQSZACIVSA-N	0	0	368.441	2.723	10	30		FFEERN
COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	ZINC000076176872	508166193	/nfs/dbraw/zinc/16/61/93/508166193.db2.gz	VCWYOLHCXANMTD-ROUUACIJSA-N	0	0	350.374	2.885	10	30		FFEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	ZINC000081587659	508194069	/nfs/dbraw/zinc/19/40/69/508194069.db2.gz	XWTMSBWYTZPVGT-RDJZCZTQSA-N	0	0	353.426	2.513	10	30		FFEERN
C#Cc1cccc(NC(=O)N2CCCN(Cc3cnn(CC)c3)CC2)c1	ZINC000112734678	508217194	/nfs/dbraw/zinc/21/71/94/508217194.db2.gz	UMDXXMMDUYXEPM-UHFFFAOYSA-N	0	0	351.454	2.624	10	30		FFEERN
CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCc2cccc(C#N)c2)CC1	ZINC000101784703	508257263	/nfs/dbraw/zinc/25/72/63/508257263.db2.gz	UATBCHGEBYKULC-OAHLLOKOSA-N	0	0	356.470	2.641	10	30		FFEERN
Cc1cccc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1	ZINC000102639786	508279991	/nfs/dbraw/zinc/27/99/91/508279991.db2.gz	PKMVANHTQQKSEM-GOSISDBHSA-N	0	0	365.458	2.949	10	30		FFEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1cn[nH]c1	ZINC000113893121	508284640	/nfs/dbraw/zinc/28/46/40/508284640.db2.gz	OEIQLJNDIVABKY-SFHVURJKSA-N	0	0	354.458	2.823	10	30		FFEERN
CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(C)C)CC2	ZINC000114904093	508357350	/nfs/dbraw/zinc/35/73/50/508357350.db2.gz	FMSFFOIBJJDLSU-CQSZACIVSA-N	0	0	368.441	2.636	10	30		FFEERN
N#Cc1cc(Br)cc2c1cnn2S(=O)(=O)c1ccccc1	ZINC000089197496	508389773	/nfs/dbraw/zinc/38/97/73/508389773.db2.gz	CVMLPWLPOPBJNA-UHFFFAOYSA-N	0	0	362.208	2.907	10	30		FFEERN
Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](c3cnn(C)c3)C2)c1C	ZINC000116311967	508498388	/nfs/dbraw/zinc/49/83/88/508498388.db2.gz	RSILEGIZWMMIKK-SFHVURJKSA-N	0	0	365.481	2.773	10	30		FFEERN
COc1ccccc1-c1noc(CS(=O)(=O)Cc2ccccc2C#N)n1	ZINC000122213234	508499850	/nfs/dbraw/zinc/49/98/50/508499850.db2.gz	OKCYYUUAQVZSQO-UHFFFAOYSA-N	0	0	369.402	2.732	10	30		FFEERN
CCc1nccn1[C@H]1CCCN(S(=O)(=O)c2cccc(C)c2C#N)C1	ZINC000157731444	508603545	/nfs/dbraw/zinc/60/35/45/508603545.db2.gz	GABJQOIIFPTWBW-HNNXBMFYSA-N	0	0	358.467	2.651	10	30		FFEERN
C=CCNc1ncc(C(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)s1	ZINC000128581875	508614352	/nfs/dbraw/zinc/61/43/52/508614352.db2.gz	YKVJUPOANGCNMD-CQSZACIVSA-N	0	0	354.439	2.687	10	30		FFEERN
Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c1C#N	ZINC000122977795	508617787	/nfs/dbraw/zinc/61/77/87/508617787.db2.gz	VCKFHRJTRVGWCD-AWEZNQCLSA-N	0	0	360.439	2.899	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000128643279	508622917	/nfs/dbraw/zinc/62/29/17/508622917.db2.gz	YXYZQSVRMZYMDF-GOSISDBHSA-N	0	0	372.494	2.519	10	30		FFEERN
CN1C(=O)C[C@H](C(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)cc1	ZINC000128712727	508633128	/nfs/dbraw/zinc/63/31/28/508633128.db2.gz	BILJKJQIEKJOAW-YJBOKZPZSA-N	0	0	355.344	2.995	10	30		FFEERN
COc1cc(C#N)ccc1OCCN1CCN(Cc2cnc(C)s2)CC1	ZINC000157933900	508635190	/nfs/dbraw/zinc/63/51/90/508635190.db2.gz	ZYDDZHTXIRHKIP-UHFFFAOYSA-N	0	0	372.494	2.528	10	30		FFEERN
CCOc1cc(C)nc(N2CCN(Cc3cc(F)ccc3C#N)CC2)n1	ZINC000160048443	508930704	/nfs/dbraw/zinc/93/07/04/508930704.db2.gz	ZSXFQKHYVGOMLA-UHFFFAOYSA-N	0	0	355.417	2.517	10	30		FFEERN
Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)C#N)ccc2C)c1	ZINC000125553709	508999030	/nfs/dbraw/zinc/99/90/30/508999030.db2.gz	CHUPHBMKYLFFOD-CQSZACIVSA-N	0	0	357.435	2.746	10	30		FFEERN
N#Cc1ccsc1NC(=O)CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000121182955	509146574	/nfs/dbraw/zinc/14/65/74/509146574.db2.gz	UKMYOHBVKNNXTN-DOMZBBRYSA-N	0	0	363.389	2.644	10	30		FFEERN
C[C@@]1(O)CCCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1	ZINC000162001124	509168900	/nfs/dbraw/zinc/16/89/00/509168900.db2.gz	UPRCNSBYJILGHV-LBXVMSDZSA-N	0	0	357.454	2.805	10	30		FFEERN
Cc1cc(C(=O)N[C@H]2CCCn3ncnc32)c(C)n1-c1ccc(C#N)cc1	ZINC000176134059	509339426	/nfs/dbraw/zinc/33/94/26/509339426.db2.gz	DOOHKAUZTRPCMT-SFHVURJKSA-N	0	0	360.421	2.822	10	30		FFEERN
COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1c1nccs1	ZINC000185816907	509368178	/nfs/dbraw/zinc/36/81/78/509368178.db2.gz	FQDZIUZINMMGQH-CYBMUJFWSA-N	0	0	363.464	2.939	10	30		FFEERN
N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000176461265	509524307	/nfs/dbraw/zinc/52/43/07/509524307.db2.gz	RNUYORHHDZMUNG-MRXNPFEDSA-N	0	0	365.437	2.619	10	30		FFEERN
C=CCCO[C@H](C)C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1	ZINC000176526152	509563738	/nfs/dbraw/zinc/56/37/38/509563738.db2.gz	AXVOFALXVSAYIZ-HZPDHXFCSA-N	0	0	352.500	2.561	10	30		FFEERN
C=CCOCCCC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1	ZINC000176560228	509583370	/nfs/dbraw/zinc/58/33/70/509583370.db2.gz	GILXGFNEZWFDDL-MRXNPFEDSA-N	0	0	352.500	2.529	10	30		FFEERN
Cc1nc(C[C@H]2CCCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)no1	ZINC000173645405	509694840	/nfs/dbraw/zinc/69/48/40/509694840.db2.gz	DTFSQOKHRNMFOB-OAHLLOKOSA-N	0	0	364.409	2.754	10	30		FFEERN
CCc1nc(C2(NCC(=O)N(CCC#N)c3ccccc3)CCCC2)no1	ZINC000173693068	509724618	/nfs/dbraw/zinc/72/46/18/509724618.db2.gz	ZKXVWMVNBJUBSK-UHFFFAOYSA-N	0	0	367.453	2.938	10	30		FFEERN
N#Cc1cccc(NC(=O)CNC2(c3noc(C4CC4)n3)CCCC2)c1	ZINC000173710436	509732967	/nfs/dbraw/zinc/73/29/67/509732967.db2.gz	QTBJUDJSXKVDLX-UHFFFAOYSA-N	0	0	351.410	2.816	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1	ZINC000249940693	509781395	/nfs/dbraw/zinc/78/13/95/509781395.db2.gz	SXSLEKZNZBBCLT-FRQCXROJSA-N	0	0	366.527	2.855	10	30		FFEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1	ZINC000193411215	509904651	/nfs/dbraw/zinc/90/46/51/509904651.db2.gz	WVCZXQZGZOTQHD-HNNXBMFYSA-N	0	0	368.441	2.530	10	30		FFEERN
COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000245466177	509952747	/nfs/dbraw/zinc/95/27/47/509952747.db2.gz	YWPXUGAOBCXTAQ-BBWFWOEESA-N	0	0	366.421	2.914	10	30		FFEERN
CC[C@@H](CC#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1	ZINC000183918852	510038140	/nfs/dbraw/zinc/03/81/40/510038140.db2.gz	ITQTYQMUZJKUSJ-HOTGVXAUSA-N	0	0	355.463	2.898	10	30		FFEERN
N#C[C@]1(NC(=O)c2cccc(CN3CCCC3=O)c2)CCc2ccccc2C1	ZINC000183959243	510057573	/nfs/dbraw/zinc/05/75/73/510057573.db2.gz	LMKNDDNJIXEKAX-QHCPKHFHSA-N	0	0	373.456	2.990	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1	ZINC000174413104	510102881	/nfs/dbraw/zinc/10/28/81/510102881.db2.gz	QETSXGAMZSUAFK-HNNXBMFYSA-N	0	0	357.410	2.680	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1	ZINC000171512591	510201043	/nfs/dbraw/zinc/20/10/43/510201043.db2.gz	KAIMJQPAOFPMOO-QGZVFWFLSA-N	0	0	353.426	2.705	10	30		FFEERN
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1	ZINC000177796057	510257551	/nfs/dbraw/zinc/25/75/51/510257551.db2.gz	GIURMDKQUSAWEU-CRAIPNDOSA-N	0	0	372.469	2.530	10	30		FFEERN
N#Cc1ccc(N2CC[C@H](N3CCC[C@@H](c4nccs4)C3)C2=O)cc1	ZINC000246160390	510328679	/nfs/dbraw/zinc/32/86/79/510328679.db2.gz	QVWWTOJULDETMW-WBVHZDCISA-N	0	0	352.463	3.000	10	30		FFEERN
CN(C(=O)CN1CCC[C@H]1C[C@@H](O)c1ccco1)C1(C#N)CCCCC1	ZINC000246693602	510621431	/nfs/dbraw/zinc/62/14/31/510621431.db2.gz	RLXZOWIHMNWEQF-DLBZAZTESA-N	0	0	359.470	2.852	10	30		FFEERN
C=CCSCCNC(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1	ZINC000178614355	510688018	/nfs/dbraw/zinc/68/80/18/510688018.db2.gz	OZAYOVKNZLRMEY-HNNXBMFYSA-N	0	0	369.556	2.682	10	30		FFEERN
Cc1nccn1C[C@H]1CCCN1CC(=O)Nc1ccccc1SCC#N	ZINC000178748213	510752712	/nfs/dbraw/zinc/75/27/12/510752712.db2.gz	KSRUSAYECPMIMO-MRXNPFEDSA-N	0	0	369.494	2.910	10	30		FFEERN
N#CCC[C@@H](NC(=O)NCc1cccnc1-n1cncn1)c1ccccc1	ZINC000178784816	510771279	/nfs/dbraw/zinc/77/12/79/510771279.db2.gz	JCGMZJRPOYKRDL-QGZVFWFLSA-N	0	0	361.409	2.507	10	30		FFEERN
O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1COc2ccccc2C1	ZINC000329989434	510895010	/nfs/dbraw/zinc/89/50/10/510895010.db2.gz	VGZWLDNKQKRMSN-JYJNAYRXSA-N	0	0	356.401	2.601	10	30		FFEERN
CN1C[C@H](CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)Cc2ccccc21	ZINC000329998509	510897089	/nfs/dbraw/zinc/89/70/89/510897089.db2.gz	SKEPHYLOYMDQGO-MAUKXSAKSA-N	0	0	355.482	2.900	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)C[C@@]2(CCCOC2)O1	ZINC000330129264	510922139	/nfs/dbraw/zinc/92/21/39/510922139.db2.gz	OEOIMTCCOOWAAO-VXIBKDFQSA-N	0	0	362.474	2.551	10	30		FFEERN
CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)c2ccccc21	ZINC000330139062	510922772	/nfs/dbraw/zinc/92/27/72/510922772.db2.gz	OQKWURPCULAMIW-GPMSIDNRSA-N	0	0	368.437	2.952	10	30		FFEERN
C[C@]1(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CCCNC1=O	ZINC000330296990	510959689	/nfs/dbraw/zinc/95/96/89/510959689.db2.gz	GPURIBJVLKAMLJ-UZLBHIALSA-N	0	0	357.454	2.933	10	30		FFEERN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000333464142	511253116	/nfs/dbraw/zinc/25/31/16/511253116.db2.gz	QGPOBJYOHHYLNY-LWYYNNOASA-N	0	0	372.513	2.697	10	30		FFEERN
C#CCNC(=O)CNc1nc(COC)nc2scc(-c3ccccc3)c21	ZINC000301125142	511689211	/nfs/dbraw/zinc/68/92/11/511689211.db2.gz	SRMXIOMXKTXPLP-UHFFFAOYSA-N	0	0	366.446	2.666	10	30		FFEERN
Cc1c(CN[C@@H](c2nc(C(C)C)no2)C2CCOCC2)cc(C#N)n1C	ZINC000328642241	511903952	/nfs/dbraw/zinc/90/39/52/511903952.db2.gz	YITCFKYCUYXMKJ-QGZVFWFLSA-N	0	0	357.458	2.969	10	30		FFEERN
C[C@@H]1OCC[C@@H]1NC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1	ZINC000328730401	511922026	/nfs/dbraw/zinc/92/20/26/511922026.db2.gz	HXUXYUJTMJXRIG-RWMBFGLXSA-N	0	0	353.488	2.905	10	30		FFEERN
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)C1	ZINC000328735026	511922644	/nfs/dbraw/zinc/92/26/44/511922644.db2.gz	IUPVUVBKXHCOTJ-OLFLTKEKSA-N	0	0	355.504	2.611	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CCC[C@@H](C)CC2)C1	ZINC000329164701	511995819	/nfs/dbraw/zinc/99/58/19/511995819.db2.gz	GXVXVCLEWFHRPD-NCOADZHNSA-N	0	0	351.491	2.581	10	30		FFEERN
CN(C[C@@H]1CCCOC1)C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000329212654	512006457	/nfs/dbraw/zinc/00/64/57/512006457.db2.gz	IBQXJPVMRMZVFF-UONOGXRCSA-N	0	0	365.861	2.718	10	30		FFEERN
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCO[C@]2(CCCOC2)C1	ZINC000329218538	512007579	/nfs/dbraw/zinc/00/75/79/512007579.db2.gz	RUAQIZMZONEYEP-GZBFAFLISA-N	0	0	350.381	2.903	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)[C@]12CCCO2	ZINC000329251745	512013708	/nfs/dbraw/zinc/01/37/08/512013708.db2.gz	YFENSCLPTIMXTI-ZHNCLRPDSA-N	0	0	367.490	2.750	10	30		FFEERN
C[C@H](NC(=O)N1CCO[C@H](c2nccs2)C1)c1ccc2c(c1)OCO2	ZINC000329476052	512054732	/nfs/dbraw/zinc/05/47/32/512054732.db2.gz	PFUIUIHZKYAYAC-NHYWBVRUSA-N	0	0	361.423	2.920	10	30		FFEERN
C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C	ZINC000329704097	512088346	/nfs/dbraw/zinc/08/83/46/512088346.db2.gz	IOGZAOCHUAPNHI-LZLYRXPVSA-N	0	0	365.518	2.623	10	30		FFEERN
CC(C)c1csc([C@@H]2CCCN(C(=O)NC[C@H]3COCCO3)C2)n1	ZINC000329738400	512092365	/nfs/dbraw/zinc/09/23/65/512092365.db2.gz	MTXZPNCBCPMSLA-KGLIPLIRSA-N	0	0	353.488	2.775	10	30		FFEERN
CS[C@H]1CCCCN(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)C1	ZINC000329732980	512092465	/nfs/dbraw/zinc/09/24/65/512092465.db2.gz	JGRZPIAYYRBUJM-OFQRWUPVSA-N	0	0	352.504	2.629	10	30		FFEERN
C[C@@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1nc(-c2ccccc2)no1	ZINC000329749965	512093394	/nfs/dbraw/zinc/09/33/94/512093394.db2.gz	HUHOUUIXEDVJSO-NWANDNLSSA-N	0	0	369.425	2.805	10	30		FFEERN
C[C@@H]1CN(Cc2ccccc2CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1	ZINC000329781707	512097160	/nfs/dbraw/zinc/09/71/60/512097160.db2.gz	TUAGPYBWNVKZJV-NFQUHZNNSA-N	0	0	373.497	2.573	10	30		FFEERN
Cc1occc1CN(C)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000364366092	512102053	/nfs/dbraw/zinc/10/20/53/512102053.db2.gz	YNYSSIRJYOAMPZ-SFHVURJKSA-N	0	0	351.406	2.609	10	30		FFEERN
C[C@]1(O)CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000375680180	512451921	/nfs/dbraw/zinc/45/19/21/512451921.db2.gz	RIIMEBOUZGEDRA-JXFKEZNVSA-N	0	0	374.460	2.613	10	30		FFEERN
C[C@]1(O)CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000375680185	512452398	/nfs/dbraw/zinc/45/23/98/512452398.db2.gz	RIIMEBOUZGEDRA-UZLBHIALSA-N	0	0	374.460	2.613	10	30		FFEERN
COC(=O)c1cc(I)c(C#N)cc1OC(F)F	ZINC000575386062	518208636	/nfs/dbraw/zinc/20/86/36/518208636.db2.gz	IVSJYQRCSIXWNL-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)c1cc(I)c(OC(F)F)c(C#N)c1	ZINC000575386107	518208682	/nfs/dbraw/zinc/20/86/82/518208682.db2.gz	LOMODQHJEQXPRC-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1I	ZINC000575392962	518209962	/nfs/dbraw/zinc/20/99/62/518209962.db2.gz	RNWIRJFPJBVPPW-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
N#CCc1ccc(I)c([N+](=O)[O-])c1OC(F)F	ZINC000575667916	518245748	/nfs/dbraw/zinc/24/57/48/518245748.db2.gz	SXDFQYSGAQYWIZ-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
CC(=O)Nc1ccc(NC(=O)[C@H](C)O/N=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000003255570	519724501	/nfs/dbraw/zinc/72/45/01/519724501.db2.gz	MEGJRJNQSLOVCB-MKFNJMOCSA-N	0	0	370.365	2.931	10	30		FFEERN
CCOCCOCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000105757933	728508437	/nfs/dbraw/zinc/50/84/37/728508437.db2.gz	FEAVWTFSATVISH-NSHDSACASA-N	0	0	359.209	2.694	10	30		FFEERN
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](C)C#N)cc2)c1C	ZINC000125783907	728687832	/nfs/dbraw/zinc/68/78/32/728687832.db2.gz	AHBSOHDHUZKITR-CYBMUJFWSA-N	0	0	357.435	2.746	10	30		FFEERN
O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N[C@@H]1CCCNC1=O	ZINC000329278742	729797025	/nfs/dbraw/zinc/79/70/25/729797025.db2.gz	JTSSYXJHZCXRPN-QWHCGFSZSA-N	0	0	351.378	2.828	10	30		FFEERN
C[C@H](NC(=O)N1CCN(c2ccc(Cl)cn2)CC1)[C@H]1CCCCO1	ZINC000329479235	729797608	/nfs/dbraw/zinc/79/76/08/729797608.db2.gz	OYOXMKAEJYJKCQ-DZGCQCFKSA-N	0	0	352.866	2.729	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1	ZINC000329599032	729797965	/nfs/dbraw/zinc/79/79/65/729797965.db2.gz	DHNPKGKXDZPSTQ-ULQDDVLXSA-N	0	0	351.468	2.996	10	30		FFEERN
O=C(NC[C@@H]1CCCCS1(=O)=O)NC1CCC(C(F)(F)F)CC1	ZINC000329680916	729798556	/nfs/dbraw/zinc/79/85/56/729798556.db2.gz	YBDDDUXMEIZPPZ-MCIGGMRASA-N	0	0	356.410	2.578	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CC[C@H](C)C2)on1	ZINC000329952963	729799598	/nfs/dbraw/zinc/79/95/98/729799598.db2.gz	NNNSYNYDKIGAQL-HNKHHVNMSA-N	0	0	352.454	2.930	10	30		FFEERN
Cc1nc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Cl)cc1C#N	ZINC000702794646	734357764	/nfs/dbraw/zinc/35/77/64/734357764.db2.gz	HGFGQXOMIYEZGS-GXTWGEPZSA-N	0	0	366.849	2.555	10	30		FFEERN
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C1(c2ccc(F)cc2)CC1	ZINC000328951636	965109179	/nfs/dbraw/zinc/10/91/79/965109179.db2.gz	XHTUCSXMFHLVMN-UHFFFAOYSA-N	0	0	373.472	2.758	10	30		FFEERN
N#Cc1cccnc1-n1cc(NS(=O)(=O)/C=C\c2ccc(F)cc2)cn1	ZINC000588460596	965313251	/nfs/dbraw/zinc/31/32/51/965313251.db2.gz	PTKMYZKCSBVIHW-CLFYSBASSA-N	0	0	369.381	2.691	10	30		FFEERN
COC(=O)/C(=C/c1cccc(OCCCC#N)c1)CN1CCC(=O)CC1	ZINC000588566264	967162727	/nfs/dbraw/zinc/16/27/27/967162727.db2.gz	VEBFPXSTRBCIHJ-GHRIWEEISA-N	0	0	356.422	2.590	10	30		FFEERN
O=C(N[C@@H]1CCCNC1=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1	ZINC000329404081	967681255	/nfs/dbraw/zinc/68/12/55/967681255.db2.gz	ZZIATLLEUVRKAV-CQSZACIVSA-N	0	0	354.410	2.546	10	30		FFEERN
Cc1ccc2oc(N3CCN(C(=O)NC[C@H]4CCCCO4)CC3)nc2c1	ZINC000329425365	967694904	/nfs/dbraw/zinc/69/49/04/967694904.db2.gz	INBASEOBDBRMCB-OAHLLOKOSA-N	0	0	358.442	2.741	10	30		FFEERN
O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1CCO[C@@H]1c1cccnc1	ZINC000330068917	970311999	/nfs/dbraw/zinc/31/19/99/970311999.db2.gz	VVHDLGWYAXPTJH-FUHWJXTLSA-N	0	0	354.410	2.679	10	30		FFEERN
CCC(C)(C)NC(=O)CON=C(N)c1ccc(Oc2ccc(F)cc2)nc1	ZINC000110179531	1005911011	/nfs/dbraw/zinc/91/10/11/1005911011.db2.gz	DUPYHHOZCNQHAY-UHFFFAOYSA-N	0	0	374.416	2.955	10	30		FFEERN
CCc1cc(C#N)ccc1Nc1c(N[C@H]2CCC[C@]23CCCO3)c(=O)c1=O	ZINC000100159245	209210454	/nfs/dbraw/zinc/21/04/54/209210454.db2.gz	CLOFODXPVDVGGV-KKSFZXQISA-N	0	0	365.433	2.974	10	30		FFEERN
COc1cc(C#N)ccc1OC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1	ZINC000119675997	250497771	/nfs/dbraw/zinc/49/77/71/250497771.db2.gz	JOSUTPLWSREZAN-KXBFYZLASA-N	0	0	368.364	2.831	10	30		FFEERN
N#CCCN(CCC#N)c1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000040618194	208257965	/nfs/dbraw/zinc/25/79/65/208257965.db2.gz	GJQLKEOAYYTTRX-UHFFFAOYSA-N	0	0	369.360	2.770	10	30		FFEERN
N#CCN(CC#N)c1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1N	ZINC000040736857	208265460	/nfs/dbraw/zinc/26/54/60/208265460.db2.gz	RHKVLVXYPZRMSH-UHFFFAOYSA-N	0	0	363.303	2.555	10	30		FFEERN
C[C@@H]1C[C@@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[C@H](C)O1	ZINC000282207051	256703733	/nfs/dbraw/zinc/70/37/33/256703733.db2.gz	LTZUBUNSJDBQFF-MUJYYYPQSA-N	0	0	374.460	2.733	10	30		FFEERN
CN1CCO[C@H]2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C[C@H]21	ZINC000284482772	256931902	/nfs/dbraw/zinc/93/19/02/256931902.db2.gz	BBZYASFKGUFWEQ-CABCVRRESA-N	0	0	368.359	2.514	10	30		FFEERN
CC(=O)c1ccc(C#N)cc1N1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000302112801	258088310	/nfs/dbraw/zinc/08/83/10/258088310.db2.gz	QDGBULZGHRMNTC-GASCZTMLSA-N	0	0	369.465	2.613	10	30		FFEERN
C[C@H]1CCCN(c2cc(N3CCc4c(C#N)c(N)sc4C3)ncn2)C1	ZINC000301498547	258053047	/nfs/dbraw/zinc/05/30/47/258053047.db2.gz	CKLTWYMUXHGZFN-LBPRGKRZSA-N	0	0	354.483	2.791	10	30		FFEERN
Cc1nnc([C@@H]2CCCCN2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[nH]1	ZINC000328674812	258117570	/nfs/dbraw/zinc/11/75/70/258117570.db2.gz	KDCJBOBGHXCXDQ-ZWKOTPCHSA-N	0	0	364.453	2.707	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@H]3c3cc[nH]n3)C2)n1	ZINC000329081845	258128861	/nfs/dbraw/zinc/12/88/61/258128861.db2.gz	DHRQNTLFQMKAMM-AEFFLSMTSA-N	0	0	364.453	2.565	10	30		FFEERN
N#Cc1cccnc1N1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000105288415	132238668	/nfs/dbraw/zinc/23/86/68/132238668.db2.gz	WXAFKCSUDURCJT-UHFFFAOYSA-N	0	0	374.366	2.863	10	30		FFEERN
CC(=O)O/N=C1/c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]	ZINC000095681996	209085040	/nfs/dbraw/zinc/08/50/40/209085040.db2.gz	YHSFMGPTWMKOHE-NXVVXOECSA-N	0	0	372.249	2.707	10	30		FFEERN
C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1nc[nH]n1	ZINC000020161236	263378878	/nfs/dbraw/zinc/37/88/78/263378878.db2.gz	FNLKFKUVLSUXBN-UHFFFAOYSA-N	0	0	371.426	2.542	10	30		FFEERN
COC(=O)c1cc(I)c(OC(F)(F)F)c(C#N)c1	ZINC000575392627	518209578	/nfs/dbraw/zinc/20/95/78/518209578.db2.gz	VKRWZESRJSVBMB-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
COc1cc(/C=N/NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc(OC)c1OC	ZINC000001040480	506246522	/nfs/dbraw/zinc/24/65/22/506246522.db2.gz	VJORXLFZMPRGJB-BWDRKBLISA-N	0	0	363.483	2.699	10	30		FFEERN
COC(=O)c1c(Br)ccc(I)c1C#N	ZINC000307035988	511765250	/nfs/dbraw/zinc/76/52/50/511765250.db2.gz	XYYGNVYVSUSKDY-UHFFFAOYSA-N	0	0	365.952	2.712	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)NCCc3cccc(F)c3)cc2C1=O	ZINC000007124523	506535174	/nfs/dbraw/zinc/53/51/74/506535174.db2.gz	XSDFZDYHNBJNOD-UHFFFAOYSA-N	0	0	352.365	2.580	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4[nH]c(C)nc4c3)cc2C1=O	ZINC000010895778	506756083	/nfs/dbraw/zinc/75/60/83/506756083.db2.gz	HNFCWTCQSSJZQZ-UHFFFAOYSA-N	0	0	360.373	2.906	10	30		FFEERN
CCc1cnc2c(C#N)c(N3CCN(c4nc(C)cc(C)n4)CC3)ccn12	ZINC000045350297	506952513	/nfs/dbraw/zinc/95/25/13/506952513.db2.gz	QTNIUOFRRIWJRD-UHFFFAOYSA-N	0	0	361.453	2.502	10	30		FFEERN
C[C@@H](NC(=O)c1ccco1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000024506529	507418022	/nfs/dbraw/zinc/41/80/22/507418022.db2.gz	PHWGSNOEVAYQBB-GFCCVEGCSA-N	0	0	364.323	2.585	10	30		FFEERN
N#CCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C1CCCC1	ZINC000078208379	507846525	/nfs/dbraw/zinc/84/65/25/507846525.db2.gz	HJMYBCRJADCWRC-UHFFFAOYSA-N	0	0	357.429	2.973	10	30		FFEERN
N#CCCn1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)n1	ZINC000078609526	507888624	/nfs/dbraw/zinc/88/86/24/507888624.db2.gz	OOWDNYBDZZKJLN-DLBZAZTESA-N	0	0	353.426	2.917	10	30		FFEERN
N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1	ZINC000109082036	507937293	/nfs/dbraw/zinc/93/72/93/507937293.db2.gz	JXZZNNIZVJVIAN-JKSUJKDBSA-N	0	0	368.387	2.684	10	30		FFEERN
CCn1cnnc1C1CCN(C(=O)c2cccc(SCC#N)c2)CC1	ZINC000079686030	507991376	/nfs/dbraw/zinc/99/13/76/507991376.db2.gz	DDKZVUSOYGYUQY-UHFFFAOYSA-N	0	0	355.467	2.933	10	30		FFEERN
Cc1c([C@@H](C)NS(=O)(=O)CCCC#N)cnn1-c1ccc(F)cc1	ZINC000111327471	508090907	/nfs/dbraw/zinc/09/09/07/508090907.db2.gz	IXVHPKOARYJBLD-GFCCVEGCSA-N	0	0	350.419	2.604	10	30		FFEERN
CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1C[C@@H]1C	ZINC000075515300	508113014	/nfs/dbraw/zinc/11/30/14/508113014.db2.gz	SEXTXRGNRSYUSC-CABZTGNLSA-N	0	0	353.216	2.623	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1	ZINC000111749742	508119255	/nfs/dbraw/zinc/11/92/55/508119255.db2.gz	RIJQRIPBIXSDBR-GOSISDBHSA-N	0	0	356.426	2.771	10	30		FFEERN
CCc1noc([C@@H](C)N2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)n1	ZINC000112122765	508153245	/nfs/dbraw/zinc/15/32/45/508153245.db2.gz	ADTSVEBWUGIBFT-CQSZACIVSA-N	0	0	368.441	2.609	10	30		FFEERN
CCn1cc(CN2CCCN(C(=O)Nc3ccc(CC#N)cc3)CC2)cn1	ZINC000112734333	508216861	/nfs/dbraw/zinc/21/68/61/508216861.db2.gz	NFZBDRCCLSYLJH-UHFFFAOYSA-N	0	0	366.469	2.709	10	30		FFEERN
COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)CCCCC#N)c1	ZINC000104110850	508328180	/nfs/dbraw/zinc/32/81/80/508328180.db2.gz	MIYSMQMGPNQSJX-UHFFFAOYSA-N	0	0	352.456	2.692	10	30		FFEERN
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)Cc1ccccc1	ZINC000104911851	508351454	/nfs/dbraw/zinc/35/14/54/508351454.db2.gz	IEHINOWGLFLDFJ-ICSRJNTNSA-N	0	0	352.434	2.681	10	30		FFEERN
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	ZINC000077747336	508365272	/nfs/dbraw/zinc/36/52/72/508365272.db2.gz	AFJCRVQXPOZNDX-KUHUBIRLSA-N	0	0	363.417	2.795	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCN(CCOCC)[C@H](CC)C2)c1C	ZINC000106118400	508395678	/nfs/dbraw/zinc/39/56/78/508395678.db2.gz	LNSKGXXHEIJFBO-LJQANCHMSA-N	0	0	361.530	2.906	10	30		FFEERN
CC(C)(C)n1cc(CN2CCN(Cc3ccc(C#N)cc3F)CC2)cn1	ZINC000106144942	508396466	/nfs/dbraw/zinc/39/64/66/508396466.db2.gz	ZDHCPFRSCLQMRI-UHFFFAOYSA-N	0	0	355.461	2.967	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000106217336	508398135	/nfs/dbraw/zinc/39/81/35/508398135.db2.gz	DCNYBVFEDHPRCA-QGZVFWFLSA-N	0	0	357.502	2.767	10	30		FFEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1	ZINC000116211883	508486548	/nfs/dbraw/zinc/48/65/48/508486548.db2.gz	AUJNBRNTUVMEAC-INIZCTEOSA-N	0	0	360.435	2.721	10	30		FFEERN
Cn1cc([C@@H]2CCN(CC(=O)c3cn(CCC#N)c4ccccc34)C2)cn1	ZINC000116310820	508496928	/nfs/dbraw/zinc/49/69/28/508496928.db2.gz	JYKWPHJPPXWJAV-MRXNPFEDSA-N	0	0	361.449	2.961	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1	ZINC000134368493	508525332	/nfs/dbraw/zinc/52/53/32/508525332.db2.gz	ABCJNFIPNUAOII-QAPCUYQASA-N	0	0	355.438	2.571	10	30		FFEERN
Cc1cnn(C[C@H]2CN(Cc3cccc(OCCCC#N)c3)CCO2)c1	ZINC000122398379	508528895	/nfs/dbraw/zinc/52/88/95/508528895.db2.gz	KPQWHCRAPLIHNA-HXUWFJFHSA-N	0	0	354.454	2.775	10	30		FFEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000122786153	508586238	/nfs/dbraw/zinc/58/62/38/508586238.db2.gz	UHCREAGHRABELT-CZUORRHYSA-N	0	0	354.859	2.527	10	30		FFEERN
N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H](c3nccs3)C2)c1	ZINC000128555585	508611216	/nfs/dbraw/zinc/61/12/16/508611216.db2.gz	FJJFRNSLUNCZIL-HNNXBMFYSA-N	0	0	361.492	2.668	10	30		FFEERN
Cc1cc(C#N)ccc1C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000123121089	508640618	/nfs/dbraw/zinc/64/06/18/508640618.db2.gz	KBUVMOIVRNHXQU-UHFFFAOYSA-N	0	0	365.481	2.776	10	30		FFEERN
C[C@@H](NS(=O)(=O)c1ccccc1C#N)c1cccc(-n2ccnc2)c1	ZINC000123383474	508678952	/nfs/dbraw/zinc/67/89/52/508678952.db2.gz	ZOOBLZRRYPNION-CQSZACIVSA-N	0	0	352.419	2.783	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@]3(C)CCCS3)C2)n1	ZINC000153953274	508684834	/nfs/dbraw/zinc/68/48/34/508684834.db2.gz	MIWLJWHYHMPZAS-APWZRJJASA-N	0	0	358.511	2.880	10	30		FFEERN
COc1ccc([C@H]2C[C@@H](C)N(C(=O)C(=O)Nc3cccc(C#N)c3)C2)cc1	ZINC000119114806	508729059	/nfs/dbraw/zinc/72/90/59/508729059.db2.gz	FBQVXNBXOWYITG-PBHICJAKSA-N	0	0	363.417	2.910	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1	ZINC000123842602	508745911	/nfs/dbraw/zinc/74/59/11/508745911.db2.gz	SSVAUEPLZUHIOJ-MJGOQNOKSA-N	0	0	356.447	2.835	10	30		FFEERN
CC1(C)C[C@@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)c2ccccc2O1	ZINC000158978201	508776093	/nfs/dbraw/zinc/77/60/93/508776093.db2.gz	ZSONKBCLMUIOMV-QGZVFWFLSA-N	0	0	363.417	2.707	10	30		FFEERN
Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC000154571762	508812033	/nfs/dbraw/zinc/81/20/33/508812033.db2.gz	APRFNNASZCTCNJ-CZUORRHYSA-N	0	0	355.442	2.765	10	30		FFEERN
C=C[C@@H](CC(=O)N1CCN(c2nccc(OCC)n2)CC1)c1ccccc1	ZINC000130693118	508832607	/nfs/dbraw/zinc/83/26/07/508832607.db2.gz	PUAIEFJHOVGOCF-KRWDZBQOSA-N	0	0	366.465	2.884	10	30		FFEERN
CN(CCC#N)C(=O)CCN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1	ZINC000131382255	508924441	/nfs/dbraw/zinc/92/44/41/508924441.db2.gz	WXUKFCWLEDRSAZ-CQSZACIVSA-N	0	0	364.515	2.576	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000151289525	508993144	/nfs/dbraw/zinc/99/31/44/508993144.db2.gz	LTVPXYGARXBHAB-UTKZUKDTSA-N	0	0	372.465	2.879	10	30		FFEERN
Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)C#N)c1	ZINC000125528793	508995303	/nfs/dbraw/zinc/99/53/03/508995303.db2.gz	DUEJHXASZJSIDM-CQSZACIVSA-N	0	0	357.435	2.746	10	30		FFEERN
Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N[C@H](C)C#N	ZINC000125812386	509032968	/nfs/dbraw/zinc/03/29/68/509032968.db2.gz	JQVURQWZXGQVQC-GFCCVEGCSA-N	0	0	361.398	2.577	10	30		FFEERN
COc1cc(C#N)ccc1CN1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000120873677	509080860	/nfs/dbraw/zinc/08/08/60/509080860.db2.gz	NTJRHQQDPFZCDC-UHFFFAOYSA-N	0	0	367.453	2.535	10	30		FFEERN
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCCn2nc(C)nc21	ZINC000175878132	509194342	/nfs/dbraw/zinc/19/43/42/509194342.db2.gz	FRVSKSJYTDPWDG-KRWDZBQOSA-N	0	0	355.442	2.828	10	30		FFEERN
N#Cc1ccc(CNC(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1	ZINC000178956946	509203201	/nfs/dbraw/zinc/20/32/01/509203201.db2.gz	XEJFCLAUPIGDLQ-QAPCUYQASA-N	0	0	357.360	2.854	10	30		FFEERN
CC1(C)OC(=O)C([C@H]2C(=O)C=C[C@H]2Nc2ccc(F)cc2F)C(=O)O1	ZINC000198711427	509228596	/nfs/dbraw/zinc/22/85/96/509228596.db2.gz	LFSYXPOCJHOWRG-DGCLKSJQSA-N	0	0	351.305	2.580	10	30		FFEERN
Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C2)n1	ZINC000176001550	509266738	/nfs/dbraw/zinc/26/67/38/509266738.db2.gz	OETOIVUZPBHLTM-LBPRGKRZSA-N	0	0	372.425	2.807	10	30		FFEERN
C#CCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cnn(C)c1	ZINC000182571971	509311146	/nfs/dbraw/zinc/31/11/46/509311146.db2.gz	GZEGWZICYSBHAS-QGZVFWFLSA-N	0	0	374.485	2.734	10	30		FFEERN
CC[C@@H](C#N)NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1	ZINC000179239673	509335229	/nfs/dbraw/zinc/33/52/29/509335229.db2.gz	XDHHTZPLZOWCAA-AWEZNQCLSA-N	0	0	354.435	2.505	10	30		FFEERN
Cc1cccc(/C=C/C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000192119734	509354327	/nfs/dbraw/zinc/35/43/27/509354327.db2.gz	WLTZMDWFJBPAND-XTXLJPNXSA-N	0	0	359.429	2.797	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@H]21	ZINC000248602102	509386526	/nfs/dbraw/zinc/38/65/26/509386526.db2.gz	ODYZMQWVGQVWHA-GVDBMIGSSA-N	0	0	355.438	2.934	10	30		FFEERN
CCc1ccc([C@H]2CCCCN2C(=O)CCNC(=O)C2N=CC=CC2=O)o1	ZINC000173191376	509444919	/nfs/dbraw/zinc/44/49/19/509444919.db2.gz	CLESNXGEZRTASL-MVZUJROASA-N	0	0	371.437	2.812	10	30		FFEERN
C=CCCCCCN(C)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1	ZINC000173421941	509588286	/nfs/dbraw/zinc/58/82/86/509588286.db2.gz	KJHVOXFOAYNVCV-INIZCTEOSA-N	0	0	360.506	2.875	10	30		FFEERN
C[C@H](N[C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000173630071	509685076	/nfs/dbraw/zinc/68/50/76/509685076.db2.gz	RGBVERHKBVANRJ-RYUDHWBXSA-N	0	0	372.860	2.817	10	30		FFEERN
CC(C)c1nc(C2(NC[C@H](O)COc3ccc(C#N)cc3)CCCC2)no1	ZINC000173702030	509728512	/nfs/dbraw/zinc/72/85/12/509728512.db2.gz	AZAFLAGBTYBJLP-INIZCTEOSA-N	0	0	370.453	2.863	10	30		FFEERN
N#Cc1ccc(OC[C@H](O)CNC2(c3noc(C4CC4)n3)CCCC2)cc1	ZINC000173709128	509731280	/nfs/dbraw/zinc/73/12/80/509731280.db2.gz	XEIWOGRPXDUIBS-MRXNPFEDSA-N	0	0	368.437	2.617	10	30		FFEERN
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]1c1cnn(C)c1	ZINC000245461088	509950129	/nfs/dbraw/zinc/95/01/29/509950129.db2.gz	WDVFUOJYRBETNT-APWZRJJASA-N	0	0	351.454	2.892	10	30		FFEERN
CN(C)c1noc(C2CCN(C(=O)c3cccc(SCC#N)c3)CC2)n1	ZINC000193954998	510146750	/nfs/dbraw/zinc/14/67/50/510146750.db2.gz	CFTVLIMXHFVKHQ-UHFFFAOYSA-N	0	0	371.466	2.771	10	30		FFEERN
CC(=O)NC1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1	ZINC000190470833	510151300	/nfs/dbraw/zinc/15/13/00/510151300.db2.gz	CUCNXFCDDQAHIV-UHFFFAOYSA-N	0	0	369.808	2.964	10	30		FFEERN
N#Cc1cc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1N1CCC(O)CC1	ZINC000194148804	510237808	/nfs/dbraw/zinc/23/78/08/510237808.db2.gz	ZUWUATGHWVNRIN-MISYRCLQSA-N	0	0	353.466	2.889	10	30		FFEERN
C=CCCC[C@H](C)NC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000181110274	510276872	/nfs/dbraw/zinc/27/68/72/510276872.db2.gz	GRKFXCQABKNPQD-HNNXBMFYSA-N	0	0	361.490	2.909	10	30		FFEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)Nc3ccc(F)cc3C#N)C2)n1	ZINC000177917438	510324704	/nfs/dbraw/zinc/32/47/04/510324704.db2.gz	JFHYDDLABPRGGG-AWEZNQCLSA-N	0	0	356.405	2.850	10	30		FFEERN
Cc1cc(N2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)n[nH]1	ZINC000187579047	510338315	/nfs/dbraw/zinc/33/83/15/510338315.db2.gz	MZJVHOIDFVQFJD-UHFFFAOYSA-N	0	0	352.442	2.873	10	30		FFEERN
CCc1nc2n(n1)C[C@H](Nc1c(C#N)cnc3c(F)cc(F)cc31)CC2	ZINC000171819665	510389961	/nfs/dbraw/zinc/38/99/61/510389961.db2.gz	JBZWQHYDAXCORL-GFCCVEGCSA-N	0	0	354.364	2.965	10	30		FFEERN
CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1cccc([N+](=O)[O-])c1	ZINC000178055703	510403368	/nfs/dbraw/zinc/40/33/68/510403368.db2.gz	KEXGQPKBTNQLCU-MRXNPFEDSA-N	0	0	370.340	2.812	10	30		FFEERN
C=CCC[C@@H](Nc1cccc(S(=O)(=O)N2CCC(O)CC2)c1)C1CC1	ZINC000188096487	510590676	/nfs/dbraw/zinc/59/06/76/510590676.db2.gz	CLMZNLVDGRZEAW-LJQANCHMSA-N	0	0	364.511	2.989	10	30		FFEERN
CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(CCC#N)c1cccc(C)c1C	ZINC000175339531	510596521	/nfs/dbraw/zinc/59/65/21/510596521.db2.gz	HPHBYXDHVIBJPB-IBGZPJMESA-N	0	0	356.514	2.966	10	30		FFEERN
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](Oc2cccnc2)C1	ZINC000246669290	510608728	/nfs/dbraw/zinc/60/87/28/510608728.db2.gz	LZXGXZJAKUNFBN-FXAWDEMLSA-N	0	0	364.449	2.870	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1	ZINC000175505982	510666017	/nfs/dbraw/zinc/66/60/17/510666017.db2.gz	ABTJAVGQZLIKSU-FKIZTMCRSA-N	0	0	370.449	2.789	10	30		FFEERN
N#CCCn1cc(C(=O)CN2CCS[C@@H]3COCC[C@H]32)c2ccccc21	ZINC000246956574	510766453	/nfs/dbraw/zinc/76/64/53/510766453.db2.gz	OBSFZCFVDPJRNN-UYAOXDASSA-N	0	0	369.490	2.944	10	30		FFEERN
COc1ccc(CN2CCOC[C@H]2c2nc(C)no2)cc1OCCCC#N	ZINC000188472573	510784744	/nfs/dbraw/zinc/78/47/44/510784744.db2.gz	HQFNMWWDSZCOPE-INIZCTEOSA-N	0	0	372.425	2.643	10	30		FFEERN
Cc1csc([C@@H]2CN([C@@H](C)C(=O)Nc3ccccc3C#N)CCO2)n1	ZINC000195388623	510808109	/nfs/dbraw/zinc/80/81/09/510808109.db2.gz	KFRKTVKCIQNUOE-BBRMVZONSA-N	0	0	356.451	2.724	10	30		FFEERN
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N1C[C@H]2CCC[C@H]21	ZINC000329917626	510876765	/nfs/dbraw/zinc/87/67/65/510876765.db2.gz	FMODCOJXOAPNPL-RHSMWYFYSA-N	0	0	363.483	2.891	10	30		FFEERN
CCCC(=O)N[C@H]1CCCN(C(=O)c2c(C)nn(C)c2-n2ccnc2C)C1	ZINC000330003747	510899206	/nfs/dbraw/zinc/89/92/06/510899206.db2.gz	AMWILPKFPMYRSL-HNNXBMFYSA-N	0	0	372.473	2.584	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)C1	ZINC000330179931	510930911	/nfs/dbraw/zinc/93/09/11/510930911.db2.gz	MWYUUIAPKKNMCX-LXTVHRRPSA-N	0	0	366.462	2.648	10	30		FFEERN
Cc1cccc(C(=O)N[C@H](C(=O)N2CC[S@](=O)C[C@H](C)C2)C(C)C)c1	ZINC000330341669	510969688	/nfs/dbraw/zinc/96/96/88/510969688.db2.gz	ZOOOCIFLMZYARY-FZXICVGQSA-N	0	0	364.511	2.551	10	30		FFEERN
N#Cc1cc(F)c(I)cc1I	ZINC000306587400	511763541	/nfs/dbraw/zinc/76/35/41/511763541.db2.gz	SGHHCUGSBOWAPV-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
CC(=O)N[C@]1(c2noc(C)n2)CCN(c2nc(C(C)(C)C)ns2)C1	ZINC000328610788	511893266	/nfs/dbraw/zinc/89/32/66/511893266.db2.gz	JCMRGNJRILNPTP-OAHLLOKOSA-N	0	0	350.448	2.609	10	30		FFEERN
C[C@H]([NH+]=C([O-])N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@@H]1CCCO1	ZINC000328635747	511902649	/nfs/dbraw/zinc/90/26/49/511902649.db2.gz	VAUUPOSFBUIJLC-AVGNSLFASA-N	0	0	374.407	2.878	10	30		FFEERN
C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCC[C@@H](n2cccn2)C1	ZINC000328686165	511915135	/nfs/dbraw/zinc/91/51/35/511915135.db2.gz	GDYWAWHPBVQUHI-BRWVUGGUSA-N	0	0	370.453	2.705	10	30		FFEERN
C[C@H](C(=O)NC[C@@H]1CCCO1)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000328706240	511918930	/nfs/dbraw/zinc/91/89/30/511918930.db2.gz	YZKDFUMWWQKVNP-OHNQJVKOSA-N	0	0	368.437	2.505	10	30		FFEERN
C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CCCCNC3=O)cn2)CCO1	ZINC000328772753	511929369	/nfs/dbraw/zinc/92/93/69/511929369.db2.gz	BFOHVRPVTVOJMU-GDBMZVCRSA-N	0	0	360.458	2.910	10	30		FFEERN
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)NCc1ccc2ccccc2n1	ZINC000328974635	511960153	/nfs/dbraw/zinc/96/01/53/511960153.db2.gz	CMEHQJMFLVAGOE-LMNJBCLMSA-N	0	0	369.465	2.901	10	30		FFEERN
C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCS[C@@H](C)C1	ZINC000329004376	511966301	/nfs/dbraw/zinc/96/63/01/511966301.db2.gz	MCOAKWPPEYLKFP-NWDGAFQWSA-N	0	0	365.455	2.786	10	30		FFEERN
Cc1cnn(CC2CCN([C@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)c1	ZINC000329104483	511984941	/nfs/dbraw/zinc/98/49/41/511984941.db2.gz	CNZVCTXDBCZMSD-MRXNPFEDSA-N	0	0	358.490	2.931	10	30		FFEERN
COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@H]1COC[C@H]1n1ccnn1	ZINC000329143941	511992450	/nfs/dbraw/zinc/99/24/50/511992450.db2.gz	VXSVMFPYHOQORA-FHLIZLRMSA-N	0	0	356.426	2.693	10	30		FFEERN
COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@H]1COC[C@H]1n1ccnn1	ZINC000329143942	511992612	/nfs/dbraw/zinc/99/26/12/511992612.db2.gz	VXSVMFPYHOQORA-JCGIZDLHSA-N	0	0	356.426	2.693	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CCC[C@H](C)[C@H]2C)on1	ZINC000329250259	512013617	/nfs/dbraw/zinc/01/36/17/512013617.db2.gz	UFBLFLJXAVTLSJ-UKMLZYKCSA-N	0	0	352.454	2.930	10	30		FFEERN
CCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC(c3ccc(O)cc3)CC1)CC2	ZINC000329286074	512019830	/nfs/dbraw/zinc/01/98/30/512019830.db2.gz	GRSVGEUCGZYIBG-MRXNPFEDSA-N	0	0	369.469	2.655	10	30		FFEERN
O=C(N[C@@H]1CCCOc2ccccc21)N1CCn2c(nnc2C2CC2)C1	ZINC000329438385	512047073	/nfs/dbraw/zinc/04/70/73/512047073.db2.gz	KGBSVQMYCJKKCO-OAHLLOKOSA-N	0	0	353.426	2.799	10	30		FFEERN
C[C@H](COc1ccc(F)cc1F)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329492200	512056889	/nfs/dbraw/zinc/05/68/89/512056889.db2.gz	TUVPEFQNWBFNIX-MPKXVKKWSA-N	0	0	353.369	2.697	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)C2)nn1	ZINC000329561537	512069891	/nfs/dbraw/zinc/06/98/91/512069891.db2.gz	GEUPITZOAMQEPC-YZVOILCLSA-N	0	0	368.437	2.939	10	30		FFEERN
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329621434	512078585	/nfs/dbraw/zinc/07/85/85/512078585.db2.gz	FPBPNZXMYRNDCH-FVQBIDKESA-N	0	0	362.861	2.883	10	30		FFEERN
CNC(=O)[C@@H]1CCCN(C(=O)CC[C@H]2CN(C(C)=O)c3ccccc32)C1	ZINC000329644295	512081660	/nfs/dbraw/zinc/08/16/60/512081660.db2.gz	ZAPMTORNTZSIOX-JKSUJKDBSA-N	0	0	357.454	2.742	10	30		FFEERN
C[C@@H]1c2cccn2CCN1C([O-])=[NH+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1	ZINC000329718025	512090300	/nfs/dbraw/zinc/09/03/00/512090300.db2.gz	YDPGEZCQOOQFOC-XPKDYRNWSA-N	0	0	371.441	2.959	10	30		FFEERN
Cc1nnc([C@@H]2CC23CCN(C(=O)c2c(F)cc(C#N)cc2F)CC3)o1	ZINC000370338114	512883190	/nfs/dbraw/zinc/88/31/90/512883190.db2.gz	YTZMFESQNJYWDO-LBPRGKRZSA-N	0	0	358.348	2.938	10	30		FFEERN
C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1	ZINC000408033500	512987259	/nfs/dbraw/zinc/98/72/59/512987259.db2.gz	MUKRQGJXVJIKCF-BJJXKVORSA-N	0	0	355.360	2.728	10	30		FFEERN
C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H](C)O1	ZINC000408077035	512994583	/nfs/dbraw/zinc/99/45/83/512994583.db2.gz	RBGPLIKNPZQSLP-YALNPMBYSA-N	0	0	359.445	2.986	10	30		FFEERN
C[C@@H]1CCCN1S(=O)(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000408290263	513039008	/nfs/dbraw/zinc/03/90/08/513039008.db2.gz	NYYDOXKSDZCVMR-ODIFPOPNSA-N	0	0	363.483	2.567	10	30		FFEERN
N#CCC(=O)[C@@H]1CCCN(c2ccccc2I)C1=O	ZINC000536950783	516990426	/nfs/dbraw/zinc/99/04/26/516990426.db2.gz	LICGXLMKIOXMCI-JTQLQIEISA-N	0	0	368.174	2.517	10	30		FFEERN
COC(=O)Cc1cc(C#N)c(I)cc1C(F)F	ZINC000575389275	518208715	/nfs/dbraw/zinc/20/87/15/518208715.db2.gz	JQYGDLPGXCQQSV-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
C/C(=N\OCc1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000006046901	518471952	/nfs/dbraw/zinc/47/19/52/518471952.db2.gz	GZTBPEYZQGHPDK-XSFVSMFZSA-N	0	0	357.435	2.749	10	30		FFEERN
CCOC(=O)c1sc(N=NCc2cc(OC)c(O)c(OC)c2)nc1C	ZINC000103778650	521610653	/nfs/dbraw/zinc/61/06/53/521610653.db2.gz	HNOPVZDFPWQKFC-IUXPMGMMSA-N	0	0	365.411	2.797	10	30		FFEERN
COC(=O)[C@@]1(Cl)O[C@@]1(C)c1ccc(I)cc1	ZINC000234583559	570550279	/nfs/dbraw/zinc/55/02/79/570550279.db2.gz	PZWNGOVPTFOMKN-WDEREUQCSA-N	0	0	352.555	2.645	10	30		FFEERN
COC(=O)[C@]1(Cl)O[C@]1(C)c1ccc(I)cc1	ZINC000234598257	570566086	/nfs/dbraw/zinc/56/60/86/570566086.db2.gz	PZWNGOVPTFOMKN-MNOVXSKESA-N	0	0	352.555	2.645	10	30		FFEERN
CCOCCOCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000105763028	728508686	/nfs/dbraw/zinc/50/86/86/728508686.db2.gz	NCUUXJTUBFJWIO-OAHLLOKOSA-N	0	0	355.419	2.911	10	30		FFEERN
C=C(Br)CNC(=O)N1CCCN(Cc2csc(C)n2)CC1	ZINC000116424970	728571497	/nfs/dbraw/zinc/57/14/97/728571497.db2.gz	VSODOPGHEWJGEP-UHFFFAOYSA-N	0	0	373.320	2.577	10	30		FFEERN
C#C[C@H](C)OC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000174444364	729072046	/nfs/dbraw/zinc/07/20/46/729072046.db2.gz	AUOCKYOUNHPCHC-HZMBPMFUSA-N	0	0	352.774	2.568	10	30		FFEERN
O=C(NC1CCC(C(F)(F)F)CC1)N1CCO[C@]2(CCCOC2)C1	ZINC000329178939	729796601	/nfs/dbraw/zinc/79/66/01/729796601.db2.gz	CVSHBZOHFSTMEP-SSDMNJCBSA-N	0	0	350.381	2.903	10	30		FFEERN
O=C(NC1CCC(C(F)(F)F)CC1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000329235406	729796799	/nfs/dbraw/zinc/79/67/99/729796799.db2.gz	NKWVGFSZSYDEBN-MMCPYJTDSA-N	0	0	364.408	2.883	10	30		FFEERN
Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H](C)c2cccs2)o1	ZINC000329892359	729799286	/nfs/dbraw/zinc/79/92/86/729799286.db2.gz	AFXMSNBFERBYNT-DRZSPHRISA-N	0	0	367.450	2.963	10	30		FFEERN
Cc1nc([C@H](C)NC(=O)N2CCSC[C@@H]2c2cnn(C)c2)cs1	ZINC000330107164	729799767	/nfs/dbraw/zinc/79/97/67/729799767.db2.gz	LVFRIANLSHEYLB-IINYFYTJSA-N	0	0	351.501	2.950	10	30		FFEERN
Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cc1N1CCCS1(=O)=O	ZINC000330240407	729800559	/nfs/dbraw/zinc/80/05/59/729800559.db2.gz	IRVRDHFQBIUXLX-GOEBONIOSA-N	0	0	363.483	2.955	10	30		FFEERN
N#CC1(CS(=O)(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)CCCC1	ZINC000333707335	729810474	/nfs/dbraw/zinc/81/04/74/729810474.db2.gz	PEUYWXXXJHURQK-KGLIPLIRSA-N	0	0	354.497	2.972	10	30		FFEERN
C[C@H](NC(=O)N1CCOC[C@@H]1c1ncnn1C)C12CC3CC(CC(C3)C1)C2	ZINC000328879415	964985451	/nfs/dbraw/zinc/98/54/51/964985451.db2.gz	LJNIRUOLPHYPAB-JWMYSTGGSA-N	0	0	373.501	2.707	10	30		FFEERN
O=C(N[C@@H]1CCCNC1=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1	ZINC000328962265	965148534	/nfs/dbraw/zinc/14/85/34/965148534.db2.gz	QVRZOBAZWYRLKG-ZMSDIMECSA-N	0	0	356.426	2.599	10	30		FFEERN
C#CCOc1ccc(NC(=O)N2CCC(C(=O)N(CC)CC)CC2)cc1	ZINC000108523103	965754182	/nfs/dbraw/zinc/75/41/82/965754182.db2.gz	KIBINJRKJJGTPW-UHFFFAOYSA-N	0	0	357.454	2.811	10	30		FFEERN
C[C@H](NC(=O)N1CCN(c2nc3ccccc3o2)CC1)[C@H]1CCCCO1	ZINC000329225085	967562409	/nfs/dbraw/zinc/56/24/09/967562409.db2.gz	FYSYJYLKISGBRH-GOEBONIOSA-N	0	0	358.442	2.821	10	30		FFEERN
Cc1ccc2oc(N3CCN(C(=O)NC[C@@H]4CCCCO4)CC3)nc2c1	ZINC000329425364	967695525	/nfs/dbraw/zinc/69/55/25/967695525.db2.gz	INBASEOBDBRMCB-HNNXBMFYSA-N	0	0	358.442	2.741	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCc4ccccc43)C2)nn1	ZINC000329619655	967874920	/nfs/dbraw/zinc/87/49/20/967874920.db2.gz	UAJMSRIVXBRXFO-ROUUACIJSA-N	0	0	365.481	2.987	10	30		FFEERN
C=CCN(CC=C)C(=O)Cn1c(CCNC(=O)CCC)nc2ccccc21	ZINC000040197882	210043525	/nfs/dbraw/zinc/04/35/25/210043525.db2.gz	DYRMHDGRDMQNRA-UHFFFAOYSA-N	0	0	368.481	2.696	10	30		FFEERN
Cc1ccccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	ZINC000025452045	211431257	/nfs/dbraw/zinc/43/12/57/211431257.db2.gz	YUQGPMKYSDQXHZ-HNNXBMFYSA-N	0	0	371.462	2.678	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1	ZINC000101582109	250081021	/nfs/dbraw/zinc/08/10/21/250081021.db2.gz	FXXDZBYZOCSCLE-UHFFFAOYSA-N	0	0	371.393	2.873	10	30		FFEERN
Cc1csc([C@@H]2CN(CCC(=O)Nc3ccccc3C#N)CCO2)n1	ZINC000103473189	250155003	/nfs/dbraw/zinc/15/50/03/250155003.db2.gz	JKDRZZKTUBSSKE-INIZCTEOSA-N	0	0	356.451	2.725	10	30		FFEERN
COC(=O)c1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2	ZINC000013132325	211024505	/nfs/dbraw/zinc/02/45/05/211024505.db2.gz	TWCSUAYCBSLEMZ-AWEZNQCLSA-N	0	0	358.785	2.740	10	30		FFEERN
N#CCCN1c2ccc(Cl)cc2C(c2ccccc2F)=N[C@H](O)C1=O	ZINC000003777838	210493753	/nfs/dbraw/zinc/49/37/53/210493753.db2.gz	XAXMYHMKTCNRRZ-QGZVFWFLSA-N	0	0	357.772	2.895	10	30	world	FFEERN
CC(=O)c1ccc(C#N)c(N2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1	ZINC000302127773	258089863	/nfs/dbraw/zinc/08/98/63/258089863.db2.gz	XBMISQNVUXXISE-GASCZTMLSA-N	0	0	369.465	2.613	10	30		FFEERN
N#Cc1ccnc(N2CCC[C@H](Oc3ccc(Cl)cn3)C2)c1[N+](=O)[O-]	ZINC000301796438	258067931	/nfs/dbraw/zinc/06/79/31/258067931.db2.gz	UIPKAJRAQXNNID-ZDUSSCGKSA-N	0	0	359.773	2.958	10	30		FFEERN
N#Cc1ccc(CN2CC[C@@H](Nc3ncnc4c3CCCCC4)C2=O)cc1	ZINC000330187299	258158132	/nfs/dbraw/zinc/15/81/32/258158132.db2.gz	SWICDXZUBPGAJI-LJQANCHMSA-N	0	0	361.449	2.830	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H]4COCC[C@@H]43)C2)n1	ZINC000328779719	258120675	/nfs/dbraw/zinc/12/06/75/258120675.db2.gz	FAHUTQIRZDKRJW-OTWHNJEPSA-N	0	0	368.481	2.506	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H]3c3cc[nH]n3)C2)n1	ZINC000329081848	258128759	/nfs/dbraw/zinc/12/87/59/258128759.db2.gz	DHRQNTLFQMKAMM-WMZOPIPTSA-N	0	0	364.453	2.565	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@@]3(C)CCCS3)C2)n1	ZINC000332927596	258243608	/nfs/dbraw/zinc/24/36/08/258243608.db2.gz	MIWLJWHYHMPZAS-VQIMIIECSA-N	0	0	358.511	2.880	10	30		FFEERN
Cc1nc2ccccc2nc1N1CCN(C(=O)c2cccc(C#N)c2)CC1	ZINC000022667782	132906304	/nfs/dbraw/zinc/90/63/04/132906304.db2.gz	ZABXRSFYRKGXGA-UHFFFAOYSA-N	0	0	357.417	2.772	10	30		FFEERN
COC(=O)c1c(C#N)ccc(I)c1C(F)(F)F	ZINC000575392682	518209318	/nfs/dbraw/zinc/20/93/18/518209318.db2.gz	MTHPRFFIEGMNAG-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
COC(=O)c1cc(I)c(OC(F)(F)F)cc1C#N	ZINC000575392091	518209624	/nfs/dbraw/zinc/20/96/24/518209624.db2.gz	BUKXDTAAFQIGFF-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1	ZINC000053683019	506430790	/nfs/dbraw/zinc/43/07/90/506430790.db2.gz	RPSZSAKYXPWBRR-RELWKKBWSA-N	0	0	368.466	2.822	10	30	in-vivo	FFEERN
C=C[C@@H](CO)[C@H](CO)[C@H](O)c1ccc(OCc2ccccc2)c(OC)c1	ZINC000038244408	506434897	/nfs/dbraw/zinc/43/48/97/506434897.db2.gz	QSJCBSKQOLVIRO-DJPFJPOOSA-N	0	0	358.434	2.711	10	30		FFEERN
C[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)N1CCOCC1	ZINC000066955212	506710769	/nfs/dbraw/zinc/71/07/69/506710769.db2.gz	PILRAFBMRFMPHL-CABCVRRESA-N	0	0	362.499	2.923	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N2CCCN(CC(F)(F)F)CC2)cc1	ZINC000068898418	507354067	/nfs/dbraw/zinc/35/40/67/507354067.db2.gz	ZMHOVFAYONAEJX-QPJJXVBHSA-N	0	0	367.371	2.699	10	30		FFEERN
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(C#N)CC3)C2)c(F)c1	ZINC000069152194	507421525	/nfs/dbraw/zinc/42/15/25/507421525.db2.gz	UCRBKDWIOSLYEB-MRXNPFEDSA-N	0	0	355.417	2.611	10	30		FFEERN
C=CCn1c(SCc2nnnn2C(C)C)nnc1-c1ccc(OC)cc1	ZINC000107078297	507834385	/nfs/dbraw/zinc/83/43/85/507834385.db2.gz	UJYVWWWLDRHILG-UHFFFAOYSA-N	0	0	371.470	2.999	10	30		FFEERN
C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)Cc1cccc(C#N)c1	ZINC000108399966	507892514	/nfs/dbraw/zinc/89/25/14/507892514.db2.gz	GYOHTLKYXUJVTM-DNVCBOLYSA-N	0	0	356.447	2.850	10	30		FFEERN
N#C[C@@H](NC(=O)CC1(CC(=O)N[C@H](C#N)C2CC2)CCCCC1)C1CC1	ZINC000108827218	507920639	/nfs/dbraw/zinc/92/06/39/507920639.db2.gz	HFASLGLXAWWMOE-IAGOWNOFSA-N	0	0	356.470	2.554	10	30		FFEERN
C=CCn1c(-c2sc(NC(=O)[C@H](C)COC)nc2C)n[nH]c1=S	ZINC000108889903	507923761	/nfs/dbraw/zinc/92/37/61/507923761.db2.gz	OJEVMNAGWUWKKU-MRVPVSSYSA-N	0	0	353.473	2.780	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCCN(Cc3cnn(CC)c3)CC2)cc1	ZINC000109661308	507977180	/nfs/dbraw/zinc/97/71/80/507977180.db2.gz	PMGLFVPRGCKRBY-UHFFFAOYSA-N	0	0	368.481	2.816	10	30		FFEERN
Cc1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc(C#N)cc2)C(=O)C1	ZINC000080650444	508091154	/nfs/dbraw/zinc/09/11/54/508091154.db2.gz	CSBWSNHFBFFUSP-UHFFFAOYSA-N	0	0	350.378	2.624	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCO[C@@H](c3nccs3)C2)cc1	ZINC000111731455	508117934	/nfs/dbraw/zinc/11/79/34/508117934.db2.gz	HAABUOPSVZCGIF-OAHLLOKOSA-N	0	0	372.450	2.664	10	30		FFEERN
C[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)N1CCOCC1	ZINC000076097448	508158468	/nfs/dbraw/zinc/15/84/68/508158468.db2.gz	IXACKHUDAHQECK-SFHVURJKSA-N	0	0	363.461	2.929	10	30		FFEERN
COc1cc(OC)cc([C@@H]2CCN(C(=O)COc3ccccc3C#N)C2)c1	ZINC000081642998	508200501	/nfs/dbraw/zinc/20/05/01/508200501.db2.gz	WEIWEHQRGGIXGA-MRXNPFEDSA-N	0	0	366.417	2.970	10	30		FFEERN
CCCC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000101564041	508247260	/nfs/dbraw/zinc/24/72/60/508247260.db2.gz	TXYBBJTTZUGLOJ-ZWKOTPCHSA-N	0	0	370.497	2.702	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](NC(=O)CCC)C2)cc1	ZINC000101748022	508255854	/nfs/dbraw/zinc/25/58/54/508255854.db2.gz	FXWSUKJDDDVHNJ-QGZVFWFLSA-N	0	0	372.469	2.515	10	30		FFEERN
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(CCC#N)CCN2CCOCC2)cc1	ZINC000076984689	508271227	/nfs/dbraw/zinc/27/12/27/508271227.db2.gz	VTCCTFFDIFPKOU-LEWJYISDSA-N	0	0	369.509	2.988	10	30		FFEERN
CC(=O)N[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000077170033	508283633	/nfs/dbraw/zinc/28/36/33/508283633.db2.gz	LJYNYRIGWMNLOT-MJGOQNOKSA-N	0	0	370.497	2.539	10	30		FFEERN
Cc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3ccc(F)c(C#N)c3)c21	ZINC000103326127	508308140	/nfs/dbraw/zinc/30/81/40/508308140.db2.gz	GCNXACMAYALRCR-UHFFFAOYSA-N	0	0	364.380	2.785	10	30		FFEERN
Cc1nnc([C@H](NC(=O)C=Cc2ccc(OCC#N)cc2)c2ccccc2)[nH]1	ZINC000104403746	508333807	/nfs/dbraw/zinc/33/38/07/508333807.db2.gz	LTFJCNHCLCBEHN-RGFVMQALSA-N	0	0	373.416	2.935	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)cc1	ZINC000152559988	508469994	/nfs/dbraw/zinc/46/99/94/508469994.db2.gz	CXCWPUQQSBSJFC-UHFFFAOYSA-N	0	0	367.453	2.743	10	30		FFEERN
Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](c3cnn(C)c3)C2)cc1C	ZINC000116317762	508497803	/nfs/dbraw/zinc/49/78/03/508497803.db2.gz	KONKGMDEMCONLV-GOSISDBHSA-N	0	0	365.481	2.773	10	30		FFEERN
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000122291023	508513430	/nfs/dbraw/zinc/51/34/30/508513430.db2.gz	GRPWLNQGIPLHOG-GFCCVEGCSA-N	0	0	366.343	2.607	10	30		FFEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1	ZINC000157061335	508516915	/nfs/dbraw/zinc/51/69/15/508516915.db2.gz	DMOCEBLHKKOEHZ-YLJYHZDGSA-N	0	0	371.481	2.869	10	30		FFEERN
C=CCOc1ccccc1C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000122338752	508519809	/nfs/dbraw/zinc/51/98/09/508519809.db2.gz	CJHUWMHQTDOJDJ-INIZCTEOSA-N	0	0	352.438	2.782	10	30		FFEERN
Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000134647624	508554866	/nfs/dbraw/zinc/55/48/66/508554866.db2.gz	SNWPAYDRBOZCAR-QGZVFWFLSA-N	0	0	365.437	2.981	10	30		FFEERN
CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1C#N	ZINC000157625364	508589555	/nfs/dbraw/zinc/58/95/55/508589555.db2.gz	ZEGJPMQQLQPEKC-CRAIPNDOSA-N	0	0	372.469	2.530	10	30		FFEERN
C=C(C)COCCNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C	ZINC000136204122	508678153	/nfs/dbraw/zinc/67/81/53/508678153.db2.gz	WCOLJQRVBJTSPE-MRXNPFEDSA-N	0	0	352.862	2.803	10	30		FFEERN
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C(=O)Nc3cccc(C#N)c3)C2)cc1	ZINC000119114995	508729454	/nfs/dbraw/zinc/72/94/54/508729454.db2.gz	FBQVXNBXOWYITG-RHSMWYFYSA-N	0	0	363.417	2.910	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)c1nnc2n1CCCC2	ZINC000129487655	508732118	/nfs/dbraw/zinc/73/21/18/508732118.db2.gz	MXLYJOLSNIWNBH-CYBMUJFWSA-N	0	0	356.426	2.679	10	30		FFEERN
N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000123834730	508745045	/nfs/dbraw/zinc/74/50/45/508745045.db2.gz	FICKKOXUTYULCB-ROUUACIJSA-N	0	0	356.447	2.835	10	30		FFEERN
CN1CCO[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1	ZINC000150774144	508890170	/nfs/dbraw/zinc/89/01/70/508890170.db2.gz	LOMWBSDWDQNQGO-LJQANCHMSA-N	0	0	366.421	2.803	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](c2nncn2CC)C1	ZINC000132854397	509083386	/nfs/dbraw/zinc/08/33/86/509083386.db2.gz	ALCIRCCFPWNUHC-HNNXBMFYSA-N	0	0	370.453	2.891	10	30		FFEERN
CCc1cc(C#N)c(NC(=O)C2CCN(c3nccc(OC)n3)CC2)s1	ZINC000126809949	509131823	/nfs/dbraw/zinc/13/18/23/509131823.db2.gz	CNNNJPHAYTVKDG-UHFFFAOYSA-N	0	0	371.466	2.836	10	30		FFEERN
C=CCc1cc(CN2CCN([C@H](C)c3nc(C)no3)CC2)cc(OC)c1O	ZINC000121275193	509161441	/nfs/dbraw/zinc/16/14/41/509161441.db2.gz	AKUJXNPRALPTAL-CQSZACIVSA-N	0	0	372.469	2.700	10	30		FFEERN
N#Cc1ccsc1NC(=O)CN1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000195510967	509202110	/nfs/dbraw/zinc/20/21/10/509202110.db2.gz	HPZLNQCFXDFNJS-AWEZNQCLSA-N	0	0	370.482	2.713	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000191871476	509224167	/nfs/dbraw/zinc/22/41/67/509224167.db2.gz	WDPCNNLDCBRMKT-UHFFFAOYSA-N	0	0	372.469	2.828	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000188820024	509278993	/nfs/dbraw/zinc/27/89/93/509278993.db2.gz	JDYXGTIQUULIFJ-HXUWFJFHSA-N	0	0	362.518	2.511	10	30		FFEERN
CCOC(=O)[C@@H]1CC[C@H](Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1C	ZINC000248396667	509291486	/nfs/dbraw/zinc/29/14/86/509291486.db2.gz	KMBDJMCNCVWHBS-UKPHBRMFSA-N	0	0	353.426	2.919	10	30		FFEERN
C=C(C)[C@@H](NC(=O)N1CCN(C[C@H](O)CC)CC1)c1ccc(F)c(F)c1	ZINC000185848100	509383291	/nfs/dbraw/zinc/38/32/91/509383291.db2.gz	PTFPFRQUSKWMAQ-CRAIPNDOSA-N	0	0	367.440	2.680	10	30		FFEERN
N#Cc1cc(F)c(C(=O)N2CCN(c3nc4ccccc4o3)CC2)c(F)c1	ZINC000176425092	509502886	/nfs/dbraw/zinc/50/28/86/509502886.db2.gz	NGTQRPHOBFLTJX-UHFFFAOYSA-N	0	0	368.343	2.940	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CC3(CCOCC3)c3ccccc32)ccc1F	ZINC000189366922	509542225	/nfs/dbraw/zinc/54/22/25/509542225.db2.gz	HTKBXGAXPJNHAA-UHFFFAOYSA-N	0	0	372.421	2.954	10	30		FFEERN
C=CCCO[C@@H](C)C(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1	ZINC000176555446	509581770	/nfs/dbraw/zinc/58/17/70/509581770.db2.gz	FSTOKJDOYUHTAH-HOTGVXAUSA-N	0	0	352.500	2.527	10	30		FFEERN
Cc1ccc([C@@H](CNC(=O)c2cccc(CC#N)c2)N2CCOCC2)s1	ZINC000176566617	509586553	/nfs/dbraw/zinc/58/65/53/509586553.db2.gz	ZXQCLKWBIUSDPW-GOSISDBHSA-N	0	0	369.490	2.926	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)NCC[C@@H]2C(=O)Nc3ccccc32)c1	ZINC000173457390	509612856	/nfs/dbraw/zinc/61/28/56/509612856.db2.gz	GVQDZUXCTPPEGW-HNNXBMFYSA-N	0	0	352.369	2.623	10	30		FFEERN
N#Cc1c(F)cccc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000186280135	509620832	/nfs/dbraw/zinc/62/08/32/509620832.db2.gz	VEQBBBUHKUWCCD-UHFFFAOYSA-N	0	0	357.429	2.952	10	30		FFEERN
C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000173630093	509685779	/nfs/dbraw/zinc/68/57/79/509685779.db2.gz	RGBVERHKBVANRJ-NWDGAFQWSA-N	0	0	372.860	2.817	10	30		FFEERN
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1cccc(-n2ccnc2)c1	ZINC000173652742	509699883	/nfs/dbraw/zinc/69/98/83/509699883.db2.gz	JGSQOMHLRVDDCK-CQSZACIVSA-N	0	0	359.389	2.560	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)NCCCCC#N)C[C@@H]21	ZINC000183316317	509713197	/nfs/dbraw/zinc/71/31/97/509713197.db2.gz	NFTVLJSRPAGCPZ-SOUVJXGZSA-N	0	0	350.463	2.625	10	30		FFEERN
C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000180082794	509743823	/nfs/dbraw/zinc/74/38/23/509743823.db2.gz	YFEBYUNFLFWACG-SNVBAGLBSA-N	0	0	358.847	2.562	10	30		FFEERN
CC(C)c1nnc2n1C[C@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)CC2	ZINC000180083207	509743917	/nfs/dbraw/zinc/74/39/17/509743917.db2.gz	SMXNNAAEYSWMGA-ZIAGYGMSSA-N	0	0	368.441	2.829	10	30		FFEERN
CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(C#N)cc1	ZINC000173919516	509855226	/nfs/dbraw/zinc/85/52/26/509855226.db2.gz	XTBFVMVBESABRM-SJORKVTESA-N	0	0	357.454	2.910	10	30		FFEERN
CC(=NNS(=O)(=O)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1	ZINC000254517714	509907475	/nfs/dbraw/zinc/90/74/75/509907475.db2.gz	NGTLLWASVUTDBQ-UHFFFAOYSA-N	0	0	357.435	2.738	10	30		FFEERN
COc1ccc(OC)c(C=Nc2cnn(C)c2C(=O)NCc2ccco2)c1	ZINC000254868058	509912287	/nfs/dbraw/zinc/91/22/87/509912287.db2.gz	JMXYNIIVQYHMGM-UHFFFAOYSA-N	0	0	368.393	2.711	10	30		FFEERN
COC(=O)[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1	ZINC000171468468	510177941	/nfs/dbraw/zinc/17/79/41/510177941.db2.gz	HORNOUBHNSPSNC-OAHLLOKOSA-N	0	0	368.389	2.755	10	30		FFEERN
C=CCCC[C@@H](C)NC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000181110295	510278031	/nfs/dbraw/zinc/27/80/31/510278031.db2.gz	GRKFXCQABKNPQD-OAHLLOKOSA-N	0	0	361.490	2.909	10	30		FFEERN
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(Cc2ccccn2)CC1	ZINC000172180329	510586389	/nfs/dbraw/zinc/58/63/89/510586389.db2.gz	KODWIZVZBFQMMZ-UHFFFAOYSA-N	0	0	355.463	2.905	10	30		FFEERN
Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1C#N	ZINC000178497609	510631585	/nfs/dbraw/zinc/63/15/85/510631585.db2.gz	ZVFUBXUBWVPFPM-ZDUSSCGKSA-N	0	0	358.419	2.677	10	30		FFEERN
C[C@H]1CN([C@@H](CNC(=O)NCCCCC#N)c2cccs2)CCO1	ZINC000178658661	510707829	/nfs/dbraw/zinc/70/78/29/510707829.db2.gz	KAUBRIHPBNGDKG-GJZGRUSLSA-N	0	0	350.488	2.503	10	30		FFEERN
C#CCN(C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C1CCCC1	ZINC000188367289	510732015	/nfs/dbraw/zinc/73/20/15/510732015.db2.gz	VMCHDQYLVFLRSN-UHFFFAOYSA-N	0	0	372.469	2.721	10	30		FFEERN
C[C@](C#N)(NC(=O)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1)C1CC1	ZINC000246972885	510777384	/nfs/dbraw/zinc/77/73/84/510777384.db2.gz	VNMVGIGMKCUIDV-FXAWDEMLSA-N	0	0	357.429	2.671	10	30		FFEERN
CCn1cc([C@@H]2CN(Cc3ccc(N(C)CCC#N)cc3)CCO2)cn1	ZINC000191708139	510794965	/nfs/dbraw/zinc/79/49/65/510794965.db2.gz	GXTVIDOMBAWOGR-FQEVSTJZSA-N	0	0	353.470	2.826	10	30		FFEERN
Cc1csc([C@H]2CN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CCO2)n1	ZINC000195393769	510811326	/nfs/dbraw/zinc/81/13/26/510811326.db2.gz	RIQOWSCKTNIKGI-XJKSGUPXSA-N	0	0	356.451	2.724	10	30		FFEERN
C[C@H](NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)[C@H]1CCCO1	ZINC000175851703	510823673	/nfs/dbraw/zinc/82/36/73/510823673.db2.gz	APVSGUFKEQLFEG-OXJNMPFZSA-N	0	0	362.429	2.709	10	30		FFEERN
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000185424968	510841051	/nfs/dbraw/zinc/84/10/51/510841051.db2.gz	TXYZJBFDZHYLJL-NEPJUHHUSA-N	0	0	362.373	2.966	10	30		FFEERN
CC(C)c1nnc([C@@H]2CN(C(=O)NC[C@@H]3CCO[C@@H]3C(C)C)CCO2)o1	ZINC000329906839	510873743	/nfs/dbraw/zinc/87/37/43/510873743.db2.gz	KKCOHXNGBPIAED-SOUVJXGZSA-N	0	0	366.462	2.541	10	30		FFEERN
C[C@H]1CC(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[C@H](C)O1	ZINC000282207040	510885849	/nfs/dbraw/zinc/88/58/49/510885849.db2.gz	LTZUBUNSJDBQFF-GJZGRUSLSA-N	0	0	374.460	2.733	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@]2(CCOC2)O1	ZINC000329960261	510887396	/nfs/dbraw/zinc/88/73/96/510887396.db2.gz	NVGJOLYZHAOEAE-COMQUAJESA-N	0	0	350.381	2.901	10	30		FFEERN
O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@H]1COc2ccccc2C1	ZINC000329989435	510894571	/nfs/dbraw/zinc/89/45/71/510894571.db2.gz	VGZWLDNKQKRMSN-PMPSAXMXSA-N	0	0	356.401	2.601	10	30		FFEERN
O=C(Nc1nc(CN2CCOCC2)cs1)[C@H]1CCO[C@@H]1c1cccnc1	ZINC000330109703	510918015	/nfs/dbraw/zinc/91/80/15/510918015.db2.gz	POCHGLRTCLBNRK-JKSUJKDBSA-N	0	0	374.466	2.736	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1	ZINC000330151226	510926012	/nfs/dbraw/zinc/92/60/12/510926012.db2.gz	LHQAYOXMKSTERO-LZLYRXPVSA-N	0	0	374.485	2.635	10	30		FFEERN
N#Cc1ccc(F)c(I)c1I	ZINC000307111111	511766294	/nfs/dbraw/zinc/76/62/94/511766294.db2.gz	OHYJQGWSOGYZAD-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
CC(C)c1nc2c(n1C)CCN(C(=O)NC[C@@H]1CCCn3ccnc31)C2	ZINC000328606660	511892047	/nfs/dbraw/zinc/89/20/47/511892047.db2.gz	KOSHLQNQPSEXQK-AWEZNQCLSA-N	0	0	356.474	2.590	10	30		FFEERN
Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccccc3)C2)c1=O	ZINC000328656495	511908627	/nfs/dbraw/zinc/90/86/27/511908627.db2.gz	ZJFRYILNJCDTAX-YESZJQIVSA-N	0	0	352.438	2.509	10	30		FFEERN
C[C@@H](C(=O)N1CCC(C)CC1)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000328661999	511911174	/nfs/dbraw/zinc/91/11/74/511911174.db2.gz	AOBRETQRBLBUHK-QYWGDWMGSA-N	0	0	366.465	2.628	10	30		FFEERN
C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCC[C@H](n2cccn2)C1	ZINC000328686166	511914860	/nfs/dbraw/zinc/91/48/60/511914860.db2.gz	GDYWAWHPBVQUHI-IXDOHACOSA-N	0	0	370.453	2.705	10	30		FFEERN
CN1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@H](c2ccccc2)C1	ZINC000328724134	511920523	/nfs/dbraw/zinc/92/05/23/511920523.db2.gz	YJJMFXNJLKJSCC-DLBZAZTESA-N	0	0	356.470	2.931	10	30		FFEERN
O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1CC[C@H](CCO)C1	ZINC000328799363	511932833	/nfs/dbraw/zinc/93/28/33/511932833.db2.gz	HEGOVWBOVORIRW-OAHLLOKOSA-N	0	0	352.438	2.852	10	30		FFEERN
CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1	ZINC000328947149	511954116	/nfs/dbraw/zinc/95/41/16/511954116.db2.gz	MNJYQITVNOSICM-LZLYRXPVSA-N	0	0	362.474	2.899	10	30		FFEERN
Cc1noc([C@H](NC(=O)N[C@H]2CCOc3ccccc32)C2CCOCC2)n1	ZINC000328964876	511958552	/nfs/dbraw/zinc/95/85/52/511958552.db2.gz	MBZMYODUTDETAD-DOTOQJQBSA-N	0	0	372.425	2.873	10	30		FFEERN
Cc1coc(-c2cccc(NC(=O)N3CC[C@H]4OCCN(C)[C@@H]4C3)c2)n1	ZINC000329003794	511966057	/nfs/dbraw/zinc/96/60/57/511966057.db2.gz	YDRMPUSYSSRSEA-IAGOWNOFSA-N	0	0	356.426	2.600	10	30		FFEERN
C[C@H](NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)c1cccc(-n2ccnc2)c1	ZINC000329116583	511986117	/nfs/dbraw/zinc/98/61/17/511986117.db2.gz	NMCVGBFWLBVCBH-XAUMDUMWSA-N	0	0	370.453	2.775	10	30		FFEERN
O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CCO[C@@]2(CCCOC2)C1	ZINC000329187805	512001436	/nfs/dbraw/zinc/00/14/36/512001436.db2.gz	BGDKFFBYYFBELX-WBVHZDCISA-N	0	0	372.387	2.955	10	30		FFEERN
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H](C)c1nncn1C	ZINC000329190845	512002199	/nfs/dbraw/zinc/00/21/99/512002199.db2.gz	QFQUDBLALLCLPU-SQWLQELKSA-N	0	0	360.462	2.820	10	30		FFEERN
O=C(CCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)N[C@@H]1CCCc2ccccc21	ZINC000329197008	512002805	/nfs/dbraw/zinc/00/28/05/512002805.db2.gz	VAUJRXHSAVMCEB-CGTJXYLNSA-N	0	0	362.495	2.530	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2C[C@@H]3CCC[C@H]3C2)on1	ZINC000329248063	512013555	/nfs/dbraw/zinc/01/35/55/512013555.db2.gz	SFTNZXWSKZVUGB-VGWMRTNUSA-N	0	0	350.438	2.541	10	30		FFEERN
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCc2cncnc2C1	ZINC000329249717	512013978	/nfs/dbraw/zinc/01/39/78/512013978.db2.gz	TZCMJEXBSFBENU-UHFFFAOYSA-N	0	0	368.481	2.924	10	30		FFEERN
O=C(Nc1nc(C(F)(F)F)cs1)N1CCn2c(nnc2C2CC2)C1	ZINC000329372723	512035792	/nfs/dbraw/zinc/03/57/92/512035792.db2.gz	MPTSOKXHACYYMM-UHFFFAOYSA-N	0	0	358.349	2.692	10	30		FFEERN
COc1cc(F)c([C@@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1OC	ZINC000329441306	512047259	/nfs/dbraw/zinc/04/72/59/512047259.db2.gz	JZGVWQBENUBVDF-JTNHKYCSSA-N	0	0	365.405	2.869	10	30		FFEERN
CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2COc3ccccc3O2)C1	ZINC000329638793	512080112	/nfs/dbraw/zinc/08/01/12/512080112.db2.gz	YWXMUPMOTVONLK-CVEARBPZSA-N	0	0	370.453	2.836	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N3CCc4ccc(F)cc43)C2)nn1	ZINC000329642090	512080520	/nfs/dbraw/zinc/08/05/20/512080520.db2.gz	ACTYCLOFZJIUSU-INIZCTEOSA-N	0	0	355.417	2.870	10	30		FFEERN
CC(C)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)C1	ZINC000329727473	512091250	/nfs/dbraw/zinc/09/12/50/512091250.db2.gz	OUKVYKDALRZODW-CBZIJGRNSA-N	0	0	367.490	2.704	10	30		FFEERN
Cc1nnc([C@@H]2CN([C@@H](C)C(=O)Nc3ccc(F)cc3Cl)CCO2)[nH]1	ZINC000329737037	512092606	/nfs/dbraw/zinc/09/26/06/512092606.db2.gz	LVWVSMJQQCWXHZ-XPTSAGLGSA-N	0	0	367.812	2.956	10	30		FFEERN
O=C(CNC(=O)c1ccsc1)N1CCC[C@@H](c2noc(C3CC3)n2)C1	ZINC000329745207	512093188	/nfs/dbraw/zinc/09/31/88/512093188.db2.gz	RBJQYXZSRXXQJJ-GFCCVEGCSA-N	0	0	360.439	2.719	10	30		FFEERN
C[C@@H]1OCC[C@]12CN(C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)CCO2	ZINC000329896910	512106019	/nfs/dbraw/zinc/10/60/19/512106019.db2.gz	CRKBAIHBKNKYHL-JLNYLFASSA-N	0	0	350.381	2.901	10	30		FFEERN
CO[C@]1(C)CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000408288756	513038839	/nfs/dbraw/zinc/03/88/39/513038839.db2.gz	ZXBKXRPIESLEQV-OXJNMPFZSA-N	0	0	374.460	2.877	10	30		FFEERN
COC(=O)c1ccc(C#N)c(I)c1OC(F)F	ZINC000575386114	518208612	/nfs/dbraw/zinc/20/86/12/518208612.db2.gz	MCZSCZDWAUEBCK-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
N#CCc1c(I)c([N+](=O)[O-])ccc1OC(F)F	ZINC000575665461	518245453	/nfs/dbraw/zinc/24/54/53/518245453.db2.gz	DBWGKBXYOJLIRX-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
C=C1C(=O)O[C@@H]2C[C@H](C)[C@@]3(OC)CC[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3	ZINC000238763353	518659043	/nfs/dbraw/zinc/65/90/43/518659043.db2.gz	SOLCYTMIFQPNDN-QXZAJCAHSA-N	0	0	366.454	2.994	10	30	biogenic	FFEERN
C=CCCOCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C	ZINC000155097490	728820528	/nfs/dbraw/zinc/82/05/28/728820528.db2.gz	VLWNXOSVYAOXKV-INIZCTEOSA-N	0	0	352.862	2.803	10	30		FFEERN
C=C[C@H](CC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1	ZINC000123124632	728655387	/nfs/dbraw/zinc/65/53/87/728655387.db2.gz	PJBLQMBIELJMDC-HUUCEWRRSA-N	0	0	358.463	2.871	10	30		FFEERN
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)c1cccs1	ZINC000178134598	729154462	/nfs/dbraw/zinc/15/44/62/729154462.db2.gz	HUKTZDSEVRYJCA-VXGBXAGGSA-N	0	0	364.448	2.591	10	30		FFEERN
COC(=O)[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000245402422	729569431	/nfs/dbraw/zinc/56/94/31/729569431.db2.gz	IBFMMPZYWDAMMS-MJBXVCDLSA-N	0	0	351.387	2.667	10	30		FFEERN
Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)o1	ZINC000329299387	729797217	/nfs/dbraw/zinc/79/72/17/729797217.db2.gz	VBQXOKHFASNNCE-YHUYYLMFSA-N	0	0	350.463	2.532	10	30		FFEERN
Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)c2cccs2)o1	ZINC000329892361	729799312	/nfs/dbraw/zinc/79/93/12/729799312.db2.gz	AFXMSNBFERBYNT-WXHSDQCUSA-N	0	0	367.450	2.963	10	30		FFEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000330199965	971056038	/nfs/dbraw/zinc/05/60/38/971056038.db2.gz	WCKPLDJYPNQYHL-IKGGRYGDSA-N	0	0	350.426	2.575	10	30		FFEERN
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cn1	ZINC000330232628	971429118	/nfs/dbraw/zinc/42/91/18/971429118.db2.gz	FOGBOEXAYBWONG-DZGCQCFKSA-N	0	0	374.466	2.696	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2C1=O	ZINC000011749733	1013444657	/nfs/dbraw/zinc/44/46/57/1013444657.db2.gz	GCSJVZJMOQLJAQ-UHFFFAOYSA-N	0	0	360.413	2.930	10	30		FFEERN
C#CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)cc1	ZINC000108453075	965150761	/nfs/dbraw/zinc/15/07/61/965150761.db2.gz	OEQZDMMTPAQLDI-GOSISDBHSA-N	0	0	364.401	2.648	10	30		FFEERN
COc1ccc2c(c1)OC[C@H](NC(=O)N1CC[C@]3(O)CCCC[C@H]3C1)C2	ZINC000328980508	965182694	/nfs/dbraw/zinc/18/26/94/965182694.db2.gz	DJQHUUGLTLDKPJ-RZQQEMMASA-N	0	0	360.454	2.540	10	30		FFEERN
CC(C)COC(=O)N1C/C(=C\c2cocn2)C(=O)/C(=C/c2cocn2)C1	ZINC000588578983	967585586	/nfs/dbraw/zinc/58/55/86/967585586.db2.gz	JIHXBLUIKHXLRS-NPJRDEIVSA-N	0	0	357.366	2.807	10	30		FFEERN
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)N2CCc3cncnc3C2)C1	ZINC000329684177	967940085	/nfs/dbraw/zinc/94/00/85/967940085.db2.gz	ZKXUIOUJJZUOML-QGZVFWFLSA-N	0	0	369.444	2.865	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2C#N)ccn1	ZINC000329965144	969455519	/nfs/dbraw/zinc/45/55/19/969455519.db2.gz	UXFLFPMKVLTOJE-YHUYYLMFSA-N	0	0	351.410	2.501	10	30		FFEERN
COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ncon3)cc2)c1	ZINC000107408850	1005438071	/nfs/dbraw/zinc/43/80/71/1005438071.db2.gz	CCAAYCKJWLXHDQ-INIZCTEOSA-N	0	0	362.345	2.706	10	30		FFEERN
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1	ZINC000020369771	210155406	/nfs/dbraw/zinc/15/54/06/210155406.db2.gz	IQUAYAUEUSKKMT-QGZVFWFLSA-N	0	0	369.465	2.696	10	30		FFEERN
Cc1nnc([C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)c2ccccc2)[nH]1	ZINC000103281250	250142766	/nfs/dbraw/zinc/14/27/66/250142766.db2.gz	KLNPCSGCVDGSFU-SCLBCKFNSA-N	0	0	361.405	2.658	10	30		FFEERN
CC(=O)N1CCc2sc(C(=O)COc3cc(C)nc(C)c3C#N)cc2C1	ZINC000163346881	251184890	/nfs/dbraw/zinc/18/48/90/251184890.db2.gz	PXVDDVPRKKEGDO-UHFFFAOYSA-N	0	0	369.446	2.798	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCC(Nc3ccccc3F)CC2)cc1	ZINC000173507421	251195028	/nfs/dbraw/zinc/19/50/28/251195028.db2.gz	DKSSCCHVFFYZPO-UHFFFAOYSA-N	0	0	359.426	2.963	10	30		FFEERN
Cc1cc(NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nnc1C	ZINC000302731694	258109421	/nfs/dbraw/zinc/10/94/21/258109421.db2.gz	MPHYBXBQWKWKBP-UHFFFAOYSA-N	0	0	365.416	2.917	10	30		FFEERN
CCN(CC(=O)Nc1c(F)cccc1F)c1ccc([N+](=O)[O-])c(C#N)n1	ZINC000302753659	258109755	/nfs/dbraw/zinc/10/97/55/258109755.db2.gz	VZTIUSVZPMRCIM-UHFFFAOYSA-N	0	0	361.308	2.605	10	30		FFEERN
Cc1cc(N2CC[C@@H](N3CCOCC3)C2)n2c3ccccc3nc2c1C#N	ZINC000301471488	258051003	/nfs/dbraw/zinc/05/10/03/258051003.db2.gz	TWTOITXNMSFPOB-MRXNPFEDSA-N	0	0	361.449	2.579	10	30		FFEERN
CCc1nnc(NCc2ccnc(O[C@@H]3CCOC3)c2)c(C#N)c1CC	ZINC000301889614	258073156	/nfs/dbraw/zinc/07/31/56/258073156.db2.gz	NPEICHBMZDCDJK-CQSZACIVSA-N	0	0	353.426	2.648	10	30		FFEERN
CCc1cc(C#N)ccc1Nc1c(N[C@@H]2CCC[C@@]23CCCO3)c(=O)c1=O	ZINC000100159235	222237048	/nfs/dbraw/zinc/23/70/48/222237048.db2.gz	CLOFODXPVDVGGV-IIBYNOLFSA-N	0	0	365.433	2.974	10	30		FFEERN
COC(=O)c1c(C#N)ccc(OC(F)(F)F)c1I	ZINC000575392581	518209401	/nfs/dbraw/zinc/20/94/01/518209401.db2.gz	ROTVMDIDGIIJMT-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
COC(=O)c1cc(I)cc(OC(F)(F)F)c1C#N	ZINC000575392157	518209535	/nfs/dbraw/zinc/20/95/35/518209535.db2.gz	HQFQGRBVEQGISR-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
CC1=C(C)C(=NOS(=O)(=O)c2cccc([N+](=O)[O-])c2)C=C(Cl)C1=O	ZINC000003304688	506320923	/nfs/dbraw/zinc/32/09/23/506320923.db2.gz	RYUXVLKSIKGVQI-SSZFMOIBSA-N	0	0	370.770	2.698	10	30		FFEERN
CN(C)/C=N/C(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O	ZINC000008592787	506658692	/nfs/dbraw/zinc/65/86/92/506658692.db2.gz	IPTLQJIWFHOBLF-LPYMAVHISA-N	0	0	365.433	2.723	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)NC2CCN(c3ccccn3)CC2)cc1	ZINC000046619438	507160298	/nfs/dbraw/zinc/16/02/98/507160298.db2.gz	AONJIUUKUHIOPC-RMKNXTFCSA-N	0	0	362.433	2.782	10	30		FFEERN
Cc1cc(NCCO)nc(NCCCOCCOc2ccccc2)c1C#N	ZINC000031334600	507819061	/nfs/dbraw/zinc/81/90/61/507819061.db2.gz	JZFSKHDCPOQSBP-UHFFFAOYSA-N	0	0	370.453	2.564	10	30		FFEERN
N#Cc1c(Cl)nsc1N1CCC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000078518589	507879364	/nfs/dbraw/zinc/87/93/64/507879364.db2.gz	AUUYOQVMWDVWIB-ZETCQYMHSA-N	0	0	352.769	2.563	10	30		FFEERN
CCC1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1	ZINC000074402007	508019795	/nfs/dbraw/zinc/01/97/95/508019795.db2.gz	QSWJLSLIUJBBLZ-UHFFFAOYSA-N	0	0	363.483	2.577	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCO[C@H](c3nccs3)C2)cc1	ZINC000111731453	508118030	/nfs/dbraw/zinc/11/80/30/508118030.db2.gz	HAABUOPSVZCGIF-HNNXBMFYSA-N	0	0	372.450	2.664	10	30		FFEERN
N#Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)nc1	ZINC000093243104	508130099	/nfs/dbraw/zinc/13/00/99/508130099.db2.gz	XKTUQBXGOUQYLO-ZBFHGGJFSA-N	0	0	361.323	2.920	10	30		FFEERN
COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	ZINC000076176873	508166412	/nfs/dbraw/zinc/16/64/12/508166412.db2.gz	VCWYOLHCXANMTD-QZTJIDSGSA-N	0	0	350.374	2.885	10	30		FFEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	ZINC000081587667	508193958	/nfs/dbraw/zinc/19/39/58/508193958.db2.gz	XWTMSBWYTZPVGT-WBVHZDCISA-N	0	0	353.426	2.513	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1	ZINC000076698710	508242982	/nfs/dbraw/zinc/24/29/82/508242982.db2.gz	DMSAXEFIQOJKBB-RBUKOAKNSA-N	0	0	363.417	2.611	10	30		FFEERN
Cn1c(CN2CCN(c3ccccc3C#N)CC2)nnc1-c1ccccc1	ZINC000101554236	508245256	/nfs/dbraw/zinc/24/52/56/508245256.db2.gz	OJYUDWBDKHLMFJ-UHFFFAOYSA-N	0	0	358.449	2.676	10	30		FFEERN
Cn1ccnc1CC1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000106166011	508396783	/nfs/dbraw/zinc/39/67/83/508396783.db2.gz	XVPHZASGNKICTC-UHFFFAOYSA-N	0	0	365.481	2.621	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N1CCO[C@H](c2nccs2)C1	ZINC000127622186	508478136	/nfs/dbraw/zinc/47/81/36/508478136.db2.gz	UIOUCVCAPJFALX-INIZCTEOSA-N	0	0	360.435	2.930	10	30		FFEERN
C=C(C)COc1cc(CN2CCO[C@@H](Cn3cccn3)C2)ccc1OC	ZINC000122331966	508519160	/nfs/dbraw/zinc/51/91/60/508519160.db2.gz	BFUMZTRNEVLSGG-GOSISDBHSA-N	0	0	357.454	2.748	10	30		FFEERN
Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCC(C#N)CC1)CC2	ZINC000128183646	508559854	/nfs/dbraw/zinc/55/98/54/508559854.db2.gz	JMZVZTTXINALMQ-GFCCVEGCSA-N	0	0	352.360	2.671	10	30		FFEERN
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCCc3cc(F)ccc32)cc1	ZINC000153236267	508561825	/nfs/dbraw/zinc/56/18/25/508561825.db2.gz	IFYWFVLDPKQZIY-SFHVURJKSA-N	0	0	351.381	2.621	10	30		FFEERN
N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000123834955	508745096	/nfs/dbraw/zinc/74/50/96/508745096.db2.gz	FICKKOXUTYULCB-QZTJIDSGSA-N	0	0	356.447	2.835	10	30		FFEERN
COC(=O)CN(CCNc1ccc(F)cc1C#N)C(=O)OC(C)(C)C	ZINC000143503143	508831404	/nfs/dbraw/zinc/83/14/04/508831404.db2.gz	HZYQAGOTRLUECD-UHFFFAOYSA-N	0	0	351.378	2.519	10	30		FFEERN
Cn1ccnc1C[C@H]1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1	ZINC000120305586	508968119	/nfs/dbraw/zinc/96/81/19/508968119.db2.gz	PBZWZWUNZQVKME-AHKGRUIUSA-N	0	0	364.449	2.817	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1C#N	ZINC000132589016	509050042	/nfs/dbraw/zinc/05/00/42/509050042.db2.gz	HWTLLLUWORMLLB-OAHLLOKOSA-N	0	0	362.430	2.574	10	30		FFEERN
N#Cc1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1N1CCC(O)CC1	ZINC000182399349	509217407	/nfs/dbraw/zinc/21/74/07/509217407.db2.gz	ZUWUATGHWVNRIN-RLLQIKCJSA-N	0	0	353.466	2.889	10	30		FFEERN
N#CCCCOc1cccnc1NC(=O)N[C@H]1Cc2ccccc2[C@H]1O	ZINC000188706021	509224410	/nfs/dbraw/zinc/22/44/10/509224410.db2.gz	XGJPDNXDGWSETB-DOTOQJQBSA-N	0	0	352.394	2.544	10	30		FFEERN
N#Cc1ccc(CN2CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)C2=O)cc1	ZINC000192130598	509360404	/nfs/dbraw/zinc/36/04/04/509360404.db2.gz	VIUYTBPFRUYIHG-VQFGERMISA-N	0	0	363.392	2.628	10	30		FFEERN
CC[C@@H]1C(c2ccccc2)=[N+]([O-])[C@@](C)(C(=O)c2ccc(OC)cc2)N1O	ZINC000225404094	509371187	/nfs/dbraw/zinc/37/11/87/509371187.db2.gz	LVZDZMGPKWQUIU-XLIONFOSSA-N	0	0	355.414	2.969	10	30		FFEERN
Cn1cccc1[C@@H]1COCCN1C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000164048899	509458904	/nfs/dbraw/zinc/45/89/04/509458904.db2.gz	QAHZYNWZASKGKE-AIADIJKESA-N	0	0	351.406	2.541	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1	ZINC000164130948	509466316	/nfs/dbraw/zinc/46/63/16/509466316.db2.gz	WSPANXGASCHCHN-OXJNMPFZSA-N	0	0	357.454	2.761	10	30		FFEERN
C#CCOc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1	ZINC000176435466	509508301	/nfs/dbraw/zinc/50/83/01/509508301.db2.gz	BHFWFCZYCURJET-GOSISDBHSA-N	0	0	364.449	2.994	10	30		FFEERN
CCn1cc([C@@H]2CN(c3nc(C(F)(F)F)ccc3C#N)CCO2)cn1	ZINC000189610312	509661897	/nfs/dbraw/zinc/66/18/97/509661897.db2.gz	GQXCGTIVFAJJDT-ZDUSSCGKSA-N	0	0	351.332	2.766	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(C#N)cs3)C[C@H]12	ZINC000183246888	509677638	/nfs/dbraw/zinc/67/76/38/509677638.db2.gz	QCWHBEWFUVBURS-HZSPNIEDSA-N	0	0	361.467	2.995	10	30		FFEERN
COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1	ZINC000170756310	509758062	/nfs/dbraw/zinc/75/80/62/509758062.db2.gz	DFNPDIMPMPCRFV-QZTJIDSGSA-N	0	0	350.374	2.885	10	30		FFEERN
CCn1cc(C2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)cn1	ZINC000177033829	509829122	/nfs/dbraw/zinc/82/91/22/509829122.db2.gz	NJCATXGZWAHIRS-KRWDZBQOSA-N	0	0	369.494	2.821	10	30		FFEERN
Cc1sc(NC(=O)CN2CCC(Cn3cccn3)CC2)c(C#N)c1C	ZINC000177139213	509895405	/nfs/dbraw/zinc/89/54/05/509895405.db2.gz	NTOOXEGNUMKXOG-UHFFFAOYSA-N	0	0	357.483	2.784	10	30		FFEERN
COc1ccc(C(=O)Oc2ccc(C=NNC(N)=S)cc2Cl)cc1	ZINC000254402622	509906108	/nfs/dbraw/zinc/90/61/08/509906108.db2.gz	HMCUFAPNGNFMIZ-UHFFFAOYSA-N	0	0	363.826	2.735	10	30		FFEERN
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H]1c1cnn(C)c1	ZINC000245446498	509940375	/nfs/dbraw/zinc/94/03/75/509940375.db2.gz	LDWHTUNHTRQHTH-OUBFZGACSA-N	0	0	357.502	2.876	10	30		FFEERN
N#Cc1cccc(CS(=O)(=O)N2CC3(CCOCC3)c3ccccc32)c1	ZINC000190261968	510032086	/nfs/dbraw/zinc/03/20/86/510032086.db2.gz	ROGUSAPDFNTTNS-UHFFFAOYSA-N	0	0	368.458	2.956	10	30		FFEERN
Cc1csc([C@H]2CN(C(=O)NCc3ccc(OCC#N)cc3)CCO2)n1	ZINC000194197981	510258450	/nfs/dbraw/zinc/25/84/50/510258450.db2.gz	JSIDPPBFKQKZSM-MRXNPFEDSA-N	0	0	372.450	2.637	10	30		FFEERN
Cn1nccc1C1CCN(CC(=O)Nc2ccccc2SCC#N)CC1	ZINC000171639693	510268394	/nfs/dbraw/zinc/26/83/94/510268394.db2.gz	KKFLTYREFQFQEX-UHFFFAOYSA-N	0	0	369.494	2.854	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1	ZINC000177827884	510274683	/nfs/dbraw/zinc/27/46/83/510274683.db2.gz	DOEXNOYNDMIXRI-APWZRJJASA-N	0	0	359.470	2.826	10	30		FFEERN
C#CCSCCNC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1	ZINC000194260197	510282596	/nfs/dbraw/zinc/28/25/96/510282596.db2.gz	XUCZTBANFYEDDW-CYBMUJFWSA-N	0	0	367.540	2.890	10	30		FFEERN
N#Cc1ccc([C@@H](O)CN2CCCC[C@H]2c2nnc3n2CCCC3)cc1	ZINC000246115417	510302354	/nfs/dbraw/zinc/30/23/54/510302354.db2.gz	XZEOWUDNWYMUEP-ROUUACIJSA-N	0	0	351.454	2.747	10	30		FFEERN
N#Cc1cc(F)ccc1NC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000177929625	510331688	/nfs/dbraw/zinc/33/16/88/510331688.db2.gz	POOLHHLJXVOKGZ-LJQANCHMSA-N	0	0	368.412	2.580	10	30		FFEERN
C[C@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)N1CCOCC1	ZINC000181338139	510362916	/nfs/dbraw/zinc/36/29/16/510362916.db2.gz	DMFXETGMEKPHRN-MRXNPFEDSA-N	0	0	365.433	2.801	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1	ZINC000246223015	510374815	/nfs/dbraw/zinc/37/48/15/510374815.db2.gz	VNSWLEGTKLPSOB-IEBWSBKVSA-N	0	0	374.437	2.974	10	30		FFEERN
COc1cc(/C=C/C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1OCC#N	ZINC000246250034	510388293	/nfs/dbraw/zinc/38/82/93/510388293.db2.gz	YFNLGPMCWFWRNY-VBFKHKJSSA-N	0	0	368.433	2.685	10	30		FFEERN
CC[C@@H](NC(=O)C(=O)Nc1cccc(C)c1C#N)c1cccc([N+](=O)[O-])c1	ZINC000178059669	510407596	/nfs/dbraw/zinc/40/75/96/510407596.db2.gz	IUTBCPSOTOWPCX-MRXNPFEDSA-N	0	0	366.377	2.981	10	30		FFEERN
COCCOc1ccc(F)cc1S(=O)(=O)NC1(C#N)CCCCCC1	ZINC000191009122	510463590	/nfs/dbraw/zinc/46/35/90/510463590.db2.gz	LMGMBBPSMOGYDP-UHFFFAOYSA-N	0	0	370.446	2.746	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000181574598	510480120	/nfs/dbraw/zinc/48/01/20/510480120.db2.gz	JEJNVNLELWCEFA-MRXNPFEDSA-N	0	0	369.469	2.781	10	30		FFEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H]1c1c(C)nn(C)c1C	ZINC000246428573	510485737	/nfs/dbraw/zinc/48/57/37/510485737.db2.gz	LBLXTOBPORMWNC-PKOBYXMFSA-N	0	0	352.438	2.960	10	30		FFEERN
CC[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1C)c1cccc([N+](=O)[O-])c1	ZINC000178519319	510643205	/nfs/dbraw/zinc/64/32/05/510643205.db2.gz	SNGJWQFQAWCWAG-MRXNPFEDSA-N	0	0	366.377	2.981	10	30		FFEERN
CC(=O)NC1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1	ZINC000191478184	510680259	/nfs/dbraw/zinc/68/02/59/510680259.db2.gz	GIWOCNAHJAQISU-UHFFFAOYSA-N	0	0	369.808	2.964	10	30		FFEERN
CC(C)c1nnc2n1C[C@H](NC(=O)CSCc1ccc(C#N)cc1)CC2	ZINC000195279567	510755957	/nfs/dbraw/zinc/75/59/57/510755957.db2.gz	KJWZSNMLNHQNSO-MRXNPFEDSA-N	0	0	369.494	2.638	10	30		FFEERN
Cc1nnc([C@@H]2CN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CCO2)[nH]1	ZINC000175778107	510785583	/nfs/dbraw/zinc/78/55/83/510785583.db2.gz	VZGUXHKAHRGMDS-ZDUSSCGKSA-N	0	0	372.791	2.903	10	30		FFEERN
Cn1c(CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)nnc1C1CC1	ZINC000191728775	510805841	/nfs/dbraw/zinc/80/58/41/510805841.db2.gz	UOCASWYNYWRXPD-UHFFFAOYSA-N	0	0	370.356	2.557	10	30		FFEERN
Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H](C)C2	ZINC000182313586	510848882	/nfs/dbraw/zinc/84/88/82/510848882.db2.gz	XAGJFIMCOHFQMK-SGTLLEGYSA-N	0	0	351.381	2.994	10	30		FFEERN
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000247565334	510865952	/nfs/dbraw/zinc/86/59/52/510865952.db2.gz	VPXHWBBQMPLOED-QWHCGFSZSA-N	0	0	369.494	2.658	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1	ZINC000247570128	510866104	/nfs/dbraw/zinc/86/61/04/510866104.db2.gz	SIOJKBGKPSGVJC-KSZLIROESA-N	0	0	358.438	2.654	10	30		FFEERN
CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)C1	ZINC000329940692	510882401	/nfs/dbraw/zinc/88/24/01/510882401.db2.gz	BUMPDSMGPWXWTB-HNNXBMFYSA-N	0	0	364.471	2.747	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cccc(N2CCCNC2=O)c1	ZINC000330148625	510925596	/nfs/dbraw/zinc/92/55/96/510925596.db2.gz	JOUPGLQLUMIVEQ-NVXWUHKLSA-N	0	0	369.425	2.910	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)C1	ZINC000330195563	510935511	/nfs/dbraw/zinc/93/55/11/510935511.db2.gz	ZQPFXATVAAFEBC-ZJIFWQFVSA-N	0	0	366.462	2.648	10	30		FFEERN
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2nc3ccccc3o2)CC1	ZINC000330211857	510939376	/nfs/dbraw/zinc/93/93/76/510939376.db2.gz	JNDZEPNKPVGFRH-QAPCUYQASA-N	0	0	372.469	2.925	10	30		FFEERN
CC(=O)N[C@@]1(c2noc(C)n2)CCN(c2nnc(C(C)(C)C)s2)C1	ZINC000328610696	511893642	/nfs/dbraw/zinc/89/36/42/511893642.db2.gz	IWXGZLRRYNDDGP-HNNXBMFYSA-N	0	0	350.448	2.609	10	30		FFEERN
Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1CCC[C@@H](Cc3noc(C)n3)C1)CCC2	ZINC000328659729	511911221	/nfs/dbraw/zinc/91/12/21/511911221.db2.gz	UBRZFWZCQDPZKD-HOTGVXAUSA-N	0	0	372.473	2.629	10	30		FFEERN
CC[C@@H]1CCCCN1C(=O)CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000328666365	511912189	/nfs/dbraw/zinc/91/21/89/511912189.db2.gz	CUOSHWANSCCAHL-GCKMJXCFSA-N	0	0	366.465	2.772	10	30		FFEERN
CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CCN1CC(F)F	ZINC000328715003	511919455	/nfs/dbraw/zinc/91/94/55/511919455.db2.gz	CRKZVHUAKNYYRT-CHWSQXEVSA-N	0	0	358.433	2.603	10	30		FFEERN
CN1CC[C@H](NC(=O)N[C@@H]2CCCNC2=O)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000328847019	511940306	/nfs/dbraw/zinc/94/03/06/511940306.db2.gz	QQYJVCIXEGRKHN-ZNMIVQPWSA-N	0	0	368.840	2.847	10	30		FFEERN
COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CCS[C@@H](C)C1	ZINC000328853766	511940880	/nfs/dbraw/zinc/94/08/80/511940880.db2.gz	CFVOGOTXFMIPBO-NSHDSACASA-N	0	0	370.496	2.819	10	30		FFEERN
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)C(=O)N1c1ccccc1	ZINC000328888784	511946235	/nfs/dbraw/zinc/94/62/35/511946235.db2.gz	QIPIONAFJHPFTN-ANRZDRKOSA-N	0	0	370.453	2.582	10	30		FFEERN
CSC1(CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CCOCC1	ZINC000329046314	511973572	/nfs/dbraw/zinc/97/35/72/511973572.db2.gz	VAAHUBMXNPYZFC-UKRRQHHQSA-N	0	0	353.488	2.757	10	30		FFEERN
CN1CCO[C@H]2CCN(C(=O)Nc3nc4c(s3)CCCCCC4)C[C@@H]21	ZINC000329133257	511989309	/nfs/dbraw/zinc/98/93/09/511989309.db2.gz	PMNZAWDLUJGDDO-GJZGRUSLSA-N	0	0	364.515	2.753	10	30		FFEERN
C[C@H](C(=O)Nc1cccc2ccccc21)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1	ZINC000329206361	512005555	/nfs/dbraw/zinc/00/55/55/512005555.db2.gz	YBNKETITCCJMHV-QIIPPGSGSA-N	0	0	358.463	2.935	10	30		FFEERN
C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H]1Sc2ccccc2NC1=O	ZINC000329335056	512029468	/nfs/dbraw/zinc/02/94/68/512029468.db2.gz	XQEOKFABUDHXNT-CJNGLKHVSA-N	0	0	362.499	2.731	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCSC(C)(C)CC1	ZINC000329414495	512042065	/nfs/dbraw/zinc/04/20/65/512042065.db2.gz	CTYAMCQFJKFOAM-DZGCQCFKSA-N	0	0	352.504	2.629	10	30		FFEERN
CC[C@@H]1CN(C(=O)N[C@H]2CCCc3cn(CCOC)nc32)CCS1	ZINC000329521581	512063786	/nfs/dbraw/zinc/06/37/86/512063786.db2.gz	OYSREELVJNBKTP-CABCVRRESA-N	0	0	352.504	2.648	10	30		FFEERN
C[C@@H]1CCC[C@@H](N(C)C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1	ZINC000329535490	512065673	/nfs/dbraw/zinc/06/56/73/512065673.db2.gz	ZKBAPGBRRMMXME-NVQRDWNXSA-N	0	0	373.501	2.649	10	30		FFEERN
CN1CCO[C@H]2CCN(C(=O)Nc3nc4c(s3)CCCC4(C)C)C[C@H]21	ZINC000329582926	512072694	/nfs/dbraw/zinc/07/26/94/512072694.db2.gz	QKZNCXCRYBKLEG-OLZOCXBDSA-N	0	0	364.515	2.707	10	30		FFEERN
O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000329588046	512074119	/nfs/dbraw/zinc/07/41/19/512074119.db2.gz	MXZMYJDHOIRDMO-MANSERQUSA-N	0	0	362.445	2.979	10	30		FFEERN
C[C@@H](CC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)NC(=O)C1CCCCC1	ZINC000329596266	512074645	/nfs/dbraw/zinc/07/46/45/512074645.db2.gz	VRYVQBMFABYXGP-LZLYRXPVSA-N	0	0	365.518	2.623	10	30		FFEERN
CCc1nc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)no1	ZINC000329728501	512091343	/nfs/dbraw/zinc/09/13/43/512091343.db2.gz	HFATZTLPWJTYRD-KKUMJFAQSA-N	0	0	370.457	2.759	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)CCC2	ZINC000329858828	512104285	/nfs/dbraw/zinc/10/42/85/512104285.db2.gz	WIKITKIYPXWXGW-CABCVRRESA-N	0	0	364.490	2.757	10	30		FFEERN
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21	ZINC000407951554	512974294	/nfs/dbraw/zinc/97/42/94/512974294.db2.gz	CBZVOXTUCZDDIS-HOCLYGCPSA-N	0	0	363.483	2.749	10	30		FFEERN
Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H](N4CCOCC4)C3)c2c1	ZINC000407985628	512979394	/nfs/dbraw/zinc/97/93/94/512979394.db2.gz	PGKCBYPECJLYJO-OAHLLOKOSA-N	0	0	356.857	2.979	10	30		FFEERN
Cc1cccc(C)c1NC(=O)C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N	ZINC000408269072	513036358	/nfs/dbraw/zinc/03/63/58/513036358.db2.gz	QBUMBTAYALKUBK-OXQOHEQNSA-N	0	0	355.438	2.696	10	30		FFEERN
COC(=O)Cc1cc(C#N)cc(C(F)F)c1I	ZINC000575389219	518208719	/nfs/dbraw/zinc/20/87/19/518208719.db2.gz	GABCSBJTDBAHCK-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)Cc1c(I)ccc(C(F)F)c1C#N	ZINC000575389236	518208898	/nfs/dbraw/zinc/20/88/98/518208898.db2.gz	HTHKEKDRLJHXSO-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
N#CCc1ccc(OC(F)F)c(I)c1[N+](=O)[O-]	ZINC000575665429	518245300	/nfs/dbraw/zinc/24/53/00/518245300.db2.gz	CSIRLAFYLJPDPN-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
N#CCc1cc(I)cc([N+](=O)[O-])c1OC(F)F	ZINC000575666458	518245799	/nfs/dbraw/zinc/24/57/99/518245799.db2.gz	JBCOXLPKVWPXEW-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
N#Cc1ccc(I)c([N+](=O)[O-])c1Br	ZINC000575691383	518248117	/nfs/dbraw/zinc/24/81/17/518248117.db2.gz	CKNSHGNUCQTWGZ-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
C=CCc1ccccc1OC(=O)CSc1nnnn1CC(F)(F)F	ZINC000106353630	728510757	/nfs/dbraw/zinc/51/07/57/728510757.db2.gz	HEJARAUKOXTJNQ-UHFFFAOYSA-N	0	0	358.345	2.662	10	30		FFEERN
C[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)O1	ZINC000121330246	728624476	/nfs/dbraw/zinc/62/44/76/728624476.db2.gz	VNEFMOWFORZDEB-YUSALJHKSA-N	0	0	357.435	2.607	10	30		FFEERN
C#CCOc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000172729808	729031759	/nfs/dbraw/zinc/03/17/59/729031759.db2.gz	LJGXHWWXFOEYPX-CQSZACIVSA-N	0	0	357.431	2.593	10	30		FFEERN
N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000193614540	729484708	/nfs/dbraw/zinc/48/47/08/729484708.db2.gz	HHQAWNIEKFOOPX-HNNXBMFYSA-N	0	0	359.382	2.738	10	30		FFEERN
N#Cc1ccccc1/C=C\C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000255418033	729639620	/nfs/dbraw/zinc/63/96/20/729639620.db2.gz	XNTJBYPIMIIEEA-IBSYWUHOSA-N	0	0	352.415	2.606	10	30		FFEERN
CN1C(=O)N[C@@H]2CN(C(=O)NC[C@@H]3CCCC[C@H]3C(F)(F)F)CC[C@@H]21	ZINC000328990670	729795945	/nfs/dbraw/zinc/79/59/45/729795945.db2.gz	FLBLILDITLPDEW-LOWDOPEQSA-N	0	0	362.396	2.571	10	30		FFEERN
O=C(CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1)NC(=O)NC1CC1	ZINC000329608825	729798037	/nfs/dbraw/zinc/79/80/37/729798037.db2.gz	CUKVKBJLRBRJAJ-SECBINFHSA-N	0	0	359.352	2.641	10	30		FFEERN
O=C(NC[C@H]1CCCCS1(=O)=O)NC1CCC(C(F)(F)F)CC1	ZINC000329680915	729798550	/nfs/dbraw/zinc/79/85/50/729798550.db2.gz	YBDDDUXMEIZPPZ-HTAVTVPLSA-N	0	0	356.410	2.578	10	30		FFEERN
CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1	ZINC000588499253	845970106	/nfs/dbraw/zinc/97/01/06/845970106.db2.gz	SQMKQTPCEVSREZ-OVNPUMINSA-N	0	0	363.483	2.730	10	30		FFEERN
CC(C)C(=O)N[C@@H]1CCCN(C(=O)Cc2nnc(-c3ccccc3)n2C)C1	ZINC000328909021	965043557	/nfs/dbraw/zinc/04/35/57/965043557.db2.gz	MMPCQHYADBKANX-MRXNPFEDSA-N	0	0	369.469	2.628	10	30		FFEERN
C[C@@H]1OCC[C@H]1NC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1	ZINC000328934254	965068487	/nfs/dbraw/zinc/06/84/87/965068487.db2.gz	IYBUJVNGVOSVAS-XJKSGUPXSA-N	0	0	355.442	2.743	10	30		FFEERN
C#CCN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1	ZINC000107566253	976825200	/nfs/dbraw/zinc/82/52/00/976825200.db2.gz	UFHCHPKMGDXHJM-PWIZWCRZSA-N	0	0	367.470	2.592	10	30		FFEERN
C=CCc1cc(C(=O)OCCCn2ccccc2=O)cc(OC)c1OC	ZINC000103705785	1012031122	/nfs/dbraw/zinc/03/11/22/1012031122.db2.gz	OCWXPIHSOFVTKC-UHFFFAOYSA-N	0	0	357.406	2.841	10	30		FFEERN
C=CCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CC)C1=O	ZINC000033933361	210169653	/nfs/dbraw/zinc/16/96/53/210169653.db2.gz	ILGDKUPXBQQWMP-ZRDIBKRKSA-N	0	0	372.475	2.514	10	30		FFEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3c2cccc3F)cc1	ZINC000055684578	210069143	/nfs/dbraw/zinc/06/91/43/210069143.db2.gz	DAGZDSHTPJLRRR-SFHVURJKSA-N	0	0	374.437	2.707	10	30		FFEERN
N#Cc1ccc(CCC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1	ZINC000011000625	249315885	/nfs/dbraw/zinc/31/58/85/249315885.db2.gz	IAXYPSIKJHWKEI-QGZVFWFLSA-N	0	0	354.431	2.526	10	30		FFEERN
C[C@@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CCCO1	ZINC000092187413	249973241	/nfs/dbraw/zinc/97/32/41/249973241.db2.gz	PJIRNXFEOGSNKM-MFNRNEDNSA-N	0	0	358.442	2.510	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1C#N	ZINC000106208149	250257247	/nfs/dbraw/zinc/25/72/47/250257247.db2.gz	VREDHPFAAPWODW-INIZCTEOSA-N	0	0	355.442	2.894	10	30		FFEERN
CO[C@@H](C)c1nc(C)c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)s1	ZINC000130840817	250938729	/nfs/dbraw/zinc/93/87/29/250938729.db2.gz	XZYCVJANXPKBOU-LBPRGKRZSA-N	0	0	357.435	2.934	10	30		FFEERN
CNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1	ZINC000005452554	210621389	/nfs/dbraw/zinc/62/13/89/210621389.db2.gz	MUXUXBIVNZBEHX-WXVFVKJXSA-N	0	0	367.474	2.997	10	30		FFEERN
CC1C=C(N=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC(C)(C)C1	ZINC000005414852	210620103	/nfs/dbraw/zinc/62/01/03/210620103.db2.gz	VFUXMJGDVBPWRB-GZTJUZNOSA-N	0	0	352.416	2.776	10	30		FFEERN
CCCCCS(=O)(=O)N1CCN(c2cc(Cl)ccc2C#N)CC1	ZINC000301250234	258036953	/nfs/dbraw/zinc/03/69/53/258036953.db2.gz	AYFICPTURYIMKR-UHFFFAOYSA-N	0	0	355.891	2.854	10	30		FFEERN
CCc1ncc2c(n1)CN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CC2	ZINC000301406057	258047786	/nfs/dbraw/zinc/04/77/86/258047786.db2.gz	UQDJTVPBLOCGNF-UHFFFAOYSA-N	0	0	360.377	2.930	10	30		FFEERN
CN(C)c1ncccc1O[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3)C1	ZINC000328719884	258118972	/nfs/dbraw/zinc/11/89/72/258118972.db2.gz	VUNKDUPGXVBSGF-QGZVFWFLSA-N	0	0	363.465	2.951	10	30		FFEERN
N#Cc1cc(NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)nc2ccc(Cl)cc12	ZINC000301960024	258078105	/nfs/dbraw/zinc/07/81/05/258078105.db2.gz	PTTYYRWCCOHNSS-BBATYDOGSA-N	0	0	369.812	2.550	10	30		FFEERN
N#Cc1cccc(OC2CCN(S(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c1	ZINC000333109962	258250624	/nfs/dbraw/zinc/25/06/24/258250624.db2.gz	DUDBEYSYHCOBLA-SIXWZSSISA-N	0	0	360.479	2.920	10	30		FFEERN
OC(COCC(F)(F)C(F)(F)F)COCC(F)(F)C(F)(F)F	ZINC000103537840	222337838	/nfs/dbraw/zinc/33/78/38/222337838.db2.gz	XBLIEVASSCGQPI-UHFFFAOYSA-N	0	0	356.156	2.776	10	30		FFEERN
N#Cc1ccc(C(=O)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)cc1	ZINC000107195616	222392736	/nfs/dbraw/zinc/39/27/36/222392736.db2.gz	TVAWJCCOCQISLH-LJQANCHMSA-N	0	0	359.429	2.694	10	30		FFEERN
COC(=O)c1cc(I)cc(C#N)c1OC(F)(F)F	ZINC000575392614	518209306	/nfs/dbraw/zinc/20/93/06/518209306.db2.gz	UGYRVVMHZXRACD-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
COC(=O)c1cc(OC(F)(F)F)c(I)cc1C#N	ZINC000575392126	518209500	/nfs/dbraw/zinc/20/95/00/518209500.db2.gz	FZFOLHKNMQQRMV-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1	ZINC000052919396	506278464	/nfs/dbraw/zinc/27/84/64/506278464.db2.gz	DWSWCSIWHZHJDA-CRAIPNDOSA-N	0	0	362.495	2.946	10	30		FFEERN
O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)c1ccccc1	ZINC000004192530	506364139	/nfs/dbraw/zinc/36/41/39/506364139.db2.gz	IDAWQJVAACQITB-WMEZAZGNSA-N	0	0	372.471	2.602	10	30		FFEERN
Cc1ccc(CNC(=O)N2CCCN(c3ncccc3C#N)CC2)cc1F	ZINC000056517163	507034545	/nfs/dbraw/zinc/03/45/45/507034545.db2.gz	UTJOELUMSPNEBS-UHFFFAOYSA-N	0	0	367.428	2.823	10	30		FFEERN
COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1OC	ZINC000062159746	507658061	/nfs/dbraw/zinc/65/80/61/507658061.db2.gz	YHLSFQMGSKFLBC-AWEZNQCLSA-N	0	0	365.389	2.567	10	30		FFEERN
N#Cc1ccccc1OCC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2	ZINC000029247692	507771054	/nfs/dbraw/zinc/77/10/54/507771054.db2.gz	FGIFTCDVVVEJBP-INIZCTEOSA-N	0	0	365.437	2.619	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)NCc2csc(CC)n2)c1	ZINC000107868649	507871171	/nfs/dbraw/zinc/87/11/71/507871171.db2.gz	NNIVHDCGESTBPB-UHFFFAOYSA-N	0	0	359.451	2.915	10	30		FFEERN
CCOc1c(Br)cc(C(=O)N[C@H](C#N)C2CC2)cc1OC	ZINC000108830300	507920928	/nfs/dbraw/zinc/92/09/28/507920928.db2.gz	ICTDISBEPKOZGC-GFCCVEGCSA-N	0	0	353.216	2.888	10	30		FFEERN
N#C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C1CC1	ZINC000108828432	507920987	/nfs/dbraw/zinc/92/09/87/507920987.db2.gz	ROTJMNDGQUDRHA-KRWDZBQOSA-N	0	0	355.419	2.519	10	30		FFEERN
COc1ccc(-c2nc(CC(=O)N[C@@H](C#N)C3CC3)cs2)cc1OC	ZINC000108842657	507921153	/nfs/dbraw/zinc/92/11/53/507921153.db2.gz	MHDSXIJRVUTUBG-AWEZNQCLSA-N	0	0	357.435	2.788	10	30		FFEERN
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1	ZINC000108841266	507921196	/nfs/dbraw/zinc/92/11/96/507921196.db2.gz	FPJMCSHELYLESC-KRWDZBQOSA-N	0	0	363.483	2.529	10	30		FFEERN
CCOc1ccc(CCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1	ZINC000108845442	507922155	/nfs/dbraw/zinc/92/21/55/507922155.db2.gz	NIOKIPXBNMFAHS-UHFFFAOYSA-N	0	0	364.449	2.633	10	30		FFEERN
N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1	ZINC000109082032	507937169	/nfs/dbraw/zinc/93/71/69/507937169.db2.gz	JXZZNNIZVJVIAN-HZPDHXFCSA-N	0	0	368.387	2.684	10	30		FFEERN
N#Cc1cc(N2CCC[C@H]2C(=O)N2CCSCC2)nc2ccccc12	ZINC000075048931	508079652	/nfs/dbraw/zinc/07/96/52/508079652.db2.gz	OEIPANOIQFBJPL-KRWDZBQOSA-N	0	0	352.463	2.651	10	30		FFEERN
Cc1cc(NCCNc2ccc(C#N)cc2C(F)(F)F)n2ncnc2n1	ZINC000080971816	508120447	/nfs/dbraw/zinc/12/04/47/508120447.db2.gz	DXVSVWTZBXDEDV-UHFFFAOYSA-N	0	0	361.331	2.847	10	30		FFEERN
N#Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)nc1	ZINC000093243105	508130138	/nfs/dbraw/zinc/13/01/38/508130138.db2.gz	XKTUQBXGOUQYLO-GDBMZVCRSA-N	0	0	361.323	2.920	10	30		FFEERN
C=CCc1cc(C(=O)N[C@H]2CCCn3nc(C)nc32)cc(OC)c1OC	ZINC000081587207	508194036	/nfs/dbraw/zinc/19/40/36/508194036.db2.gz	IGKCLFDFBBXUDS-HNNXBMFYSA-N	0	0	356.426	2.597	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1	ZINC000076698723	508242979	/nfs/dbraw/zinc/24/29/79/508242979.db2.gz	DMSAXEFIQOJKBB-MOPGFXCFSA-N	0	0	363.417	2.611	10	30		FFEERN
COc1cccc2c1OC[C@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)C2	ZINC000077311228	508298583	/nfs/dbraw/zinc/29/85/83/508298583.db2.gz	MQTJQEXNFNQWDG-PYUISTEWSA-N	0	0	364.401	2.731	10	30		FFEERN
COC(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC(C)C)c(C)c1	ZINC000103495966	508315448	/nfs/dbraw/zinc/31/54/48/508315448.db2.gz	AYIZHRMTPYVUDD-UHFFFAOYSA-N	0	0	352.456	2.732	10	30		FFEERN
C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc(C(C)(C)C)cc1	ZINC000086449283	508326790	/nfs/dbraw/zinc/32/67/90/508326790.db2.gz	IFPWLBBMYXMSHR-CQSZACIVSA-N	0	0	367.453	2.910	10	30		FFEERN
CC(C)(C)CN(CCC#N)S(=O)(=O)c1c(Cl)nc2ccccn21	ZINC000104765225	508345467	/nfs/dbraw/zinc/34/54/67/508345467.db2.gz	JNCFJTUHJKJGDG-UHFFFAOYSA-N	0	0	354.863	2.938	10	30		FFEERN
N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H]1CN(C2CC2)CCO1	ZINC000114858847	508354355	/nfs/dbraw/zinc/35/43/55/508354355.db2.gz	RHWCCAGPUSEKHY-GOSISDBHSA-N	0	0	361.445	2.818	10	30		FFEERN
C=CCc1ccc(OCC(=O)N[C@@H]2CCCn3nc(CC)nc32)c(OC)c1	ZINC000088197300	508356531	/nfs/dbraw/zinc/35/65/31/508356531.db2.gz	LSENAWBPBFXWPB-OAHLLOKOSA-N	0	0	370.453	2.608	10	30		FFEERN
CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(OC(C)C)c(C#N)c1)CC2	ZINC000157737447	508604409	/nfs/dbraw/zinc/60/44/09/508604409.db2.gz	AAUHECROVPGIJD-HNNXBMFYSA-N	0	0	368.441	2.636	10	30		FFEERN
Cc1cnn(CCNC(=O)c2occc2COc2cccc(C#N)c2)c1	ZINC000117810320	508619518	/nfs/dbraw/zinc/61/95/18/508619518.db2.gz	IIVTZFGQEQVEAR-UHFFFAOYSA-N	0	0	350.378	2.665	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)c1	ZINC000123405356	508681538	/nfs/dbraw/zinc/68/15/38/508681538.db2.gz	SXCCTYWSKXSUHB-IWAYRVGRSA-N	0	0	367.355	2.771	10	30		FFEERN
CCn1cc(C2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)cn1	ZINC000123528286	508700795	/nfs/dbraw/zinc/70/07/95/508700795.db2.gz	VITNLUHXXGKOOJ-UHFFFAOYSA-N	0	0	352.438	2.754	10	30		FFEERN
COc1cc(/C=C/C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)ccc1OCC#N	ZINC000120355036	508979786	/nfs/dbraw/zinc/97/97/86/508979786.db2.gz	FSKRGWZWKVJOAD-PRPGUUAMSA-N	0	0	356.422	2.638	10	30		FFEERN
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCCc3cc(F)ccc32)ccc1F	ZINC000155388436	508990068	/nfs/dbraw/zinc/99/00/68/508990068.db2.gz	QHOHHGYXAPCGKV-KRWDZBQOSA-N	0	0	355.344	2.969	10	30		FFEERN
Cc1ccc(N(CCC(=O)N[C@H](C)C#N)S(=O)(=O)c2ccccc2)cc1	ZINC000125773297	509028136	/nfs/dbraw/zinc/02/81/36/509028136.db2.gz	GEFQZYVWQWHLKD-MRXNPFEDSA-N	0	0	371.462	2.609	10	30		FFEERN
C=CCN(C)C(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000161734669	509149025	/nfs/dbraw/zinc/14/90/25/509149025.db2.gz	DAGYSFHWDSIMRP-CQSZACIVSA-N	0	0	353.806	2.647	10	30		FFEERN
N#Cc1ccc(NC(=O)CCN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1	ZINC000121431865	509173591	/nfs/dbraw/zinc/17/35/91/509173591.db2.gz	ABFWAIVJQPBGHH-QFBILLFUSA-N	0	0	371.387	2.973	10	30		FFEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000175864696	509186512	/nfs/dbraw/zinc/18/65/12/509186512.db2.gz	FIJHTGLKKPYRMF-KRWDZBQOSA-N	0	0	350.426	2.667	10	30		FFEERN
Cc1csc([C@@H]2COCCN2C(=O)/C=C/c2ccc(OCC#N)cc2)n1	ZINC000188664712	509200040	/nfs/dbraw/zinc/20/00/40/509200040.db2.gz	RLHKXPKTCKHQHS-PFWMLDTASA-N	0	0	369.446	2.967	10	30		FFEERN
CCOC(=O)[C@@H]1CC[C@@H](Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1C	ZINC000248396665	509291649	/nfs/dbraw/zinc/29/16/49/509291649.db2.gz	KMBDJMCNCVWHBS-FRFSOERESA-N	0	0	353.426	2.919	10	30		FFEERN
CN1C(=O)C[C@@H](C(=O)NCc2ccc(C#N)cc2F)[C@@H]1c1ccc(F)cc1	ZINC000179338469	509383391	/nfs/dbraw/zinc/38/33/91/509383391.db2.gz	CDBVBXTXCPMPKO-APWZRJJASA-N	0	0	369.371	2.672	10	30		FFEERN
C#Cc1cccc(NC(=O)N2CCC(N(C)CC(=O)OC(C)(C)C)CC2)c1	ZINC000192209989	509404713	/nfs/dbraw/zinc/40/47/13/509404713.db2.gz	TWVJOHDSVQILTC-UHFFFAOYSA-N	0	0	371.481	2.938	10	30		FFEERN
CCO[C@H]1C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)C12CCOCC2	ZINC000185952875	509445704	/nfs/dbraw/zinc/44/57/04/509445704.db2.gz	OBKKPSXFGISZSF-ROUUACIJSA-N	0	0	357.454	2.674	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cc1	ZINC000168313286	509646976	/nfs/dbraw/zinc/64/69/76/509646976.db2.gz	UNWIKJABQDQHFX-HNNXBMFYSA-N	0	0	361.323	2.787	10	30		FFEERN
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1cccc(-n2ccnc2)c1	ZINC000173652726	509700788	/nfs/dbraw/zinc/70/07/88/509700788.db2.gz	JGSQOMHLRVDDCK-AWEZNQCLSA-N	0	0	359.389	2.560	10	30		FFEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000180013380	509710052	/nfs/dbraw/zinc/71/00/52/509710052.db2.gz	MSFOYTWQEMUDTB-JSGCOSHPSA-N	0	0	354.414	2.788	10	30		FFEERN
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1nnc2n1CCCC2	ZINC000180049038	509726791	/nfs/dbraw/zinc/72/67/91/509726791.db2.gz	PTDGLCWUFZPUQF-CHWSQXEVSA-N	0	0	354.414	2.788	10	30		FFEERN
CCO[C@@H]1C[C@H](Nc2cc(C#N)ccc2OCCOC)C12CCOCC2	ZINC000186502245	509742422	/nfs/dbraw/zinc/74/24/22/509742422.db2.gz	RZCFUHVPOLKKFW-RBUKOAKNSA-N	0	0	360.454	2.970	10	30		FFEERN
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1	ZINC000173766170	509765163	/nfs/dbraw/zinc/76/51/63/509765163.db2.gz	HKCWIGTURSXUOZ-WOJBJXKFSA-N	0	0	362.429	2.721	10	30		FFEERN
N#CCOc1ccc(CNC(=O)NCC[C@@H]2C(=O)Nc3ccccc32)cc1	ZINC000170837461	509802888	/nfs/dbraw/zinc/80/28/88/509802888.db2.gz	MWOJTSCLOFWRBI-KRWDZBQOSA-N	0	0	364.405	2.514	10	30		FFEERN
C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1cccc(-n2ccnc2)c1	ZINC000173965546	509878320	/nfs/dbraw/zinc/87/83/20/509878320.db2.gz	NYKDFBFTBZRPRH-ZDUSSCGKSA-N	0	0	370.409	2.923	10	30		FFEERN
CCCC(=O)N[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000245201725	509881646	/nfs/dbraw/zinc/88/16/46/509881646.db2.gz	TXYBBJTTZUGLOJ-QZTJIDSGSA-N	0	0	370.497	2.702	10	30		FFEERN
Cc1ccc([C@@H](CNC(=O)c2cccc(F)c2C#N)N2CCOCC2)s1	ZINC000190085295	509930170	/nfs/dbraw/zinc/93/01/70/509930170.db2.gz	ISJIIWKZBXRLCA-QGZVFWFLSA-N	0	0	373.453	2.871	10	30		FFEERN
N#Cc1nn(-c2ccccc2C(F)(F)F)nc1N1CCCC[C@H]1CCO	ZINC000256046194	509942946	/nfs/dbraw/zinc/94/29/46/509942946.db2.gz	DKGOJBMEFBCVCT-LBPRGKRZSA-N	0	0	365.359	2.899	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](CCC#N)c2ccccc2)C1	ZINC000190139478	509960825	/nfs/dbraw/zinc/96/08/25/509960825.db2.gz	YMXBEZXJIIVDER-GVDBMIGSSA-N	0	0	369.425	2.895	10	30		FFEERN
COc1cnccc1[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000187008718	510002741	/nfs/dbraw/zinc/00/27/41/510002741.db2.gz	KZMIQERVCDCQBN-KBXCAEBGSA-N	0	0	350.422	2.808	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(CC(=O)N(CCC#N)c3ccccc3)C2)no1	ZINC000171408038	510140574	/nfs/dbraw/zinc/14/05/74/510140574.db2.gz	BUCZPYVWQUSLKZ-KRWDZBQOSA-N	0	0	367.453	2.579	10	30		FFEERN
C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000177587704	510147779	/nfs/dbraw/zinc/14/77/79/510147779.db2.gz	VBVDAKOROSQYEJ-JTQLQIEISA-N	0	0	358.847	2.562	10	30		FFEERN
C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000187274987	510164387	/nfs/dbraw/zinc/16/43/87/510164387.db2.gz	GPTBGVIKERNZIG-CHWSQXEVSA-N	0	0	368.355	2.874	10	30		FFEERN
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCO[C@H](c2nccs2)C1	ZINC000171665026	510293254	/nfs/dbraw/zinc/29/32/54/510293254.db2.gz	KPGFEELKFKFXSW-RDJZCZTQSA-N	0	0	370.478	2.852	10	30		FFEERN
CN(C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCCN(c2cccnn2)C1	ZINC000177905366	510317353	/nfs/dbraw/zinc/31/73/53/510317353.db2.gz	RPJQAOZNMQHUGA-OAHLLOKOSA-N	0	0	354.389	2.620	10	30		FFEERN
CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2F)C12CCCC2	ZINC000190819730	510359160	/nfs/dbraw/zinc/35/91/60/510359160.db2.gz	PGGAVDCYSSPHBP-IAGOWNOFSA-N	0	0	373.428	2.832	10	30		FFEERN
N#CCOc1ccc(CNC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1	ZINC000171780508	510366117	/nfs/dbraw/zinc/36/61/17/510366117.db2.gz	XMUBNTYSNFDNBQ-SFHVURJKSA-N	0	0	350.422	2.985	10	30		FFEERN
CC[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1	ZINC000178053733	510402690	/nfs/dbraw/zinc/40/26/90/510402690.db2.gz	UUHRHROHPLHWJK-MRXNPFEDSA-N	0	0	352.350	2.672	10	30		FFEERN
CC(C)c1nc2c(n1C)CCN(C(=O)NCc1ccc(C#N)cc1F)C2	ZINC000171870788	510420444	/nfs/dbraw/zinc/42/04/44/510420444.db2.gz	BEMCXAHBUDUTQN-UHFFFAOYSA-N	0	0	355.417	2.822	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1nnc2n1CCCC2	ZINC000178163151	510466290	/nfs/dbraw/zinc/46/62/90/510466290.db2.gz	MSJVWGFRJPDOQX-GFCCVEGCSA-N	0	0	354.414	2.767	10	30		FFEERN
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1	ZINC000246503511	510525144	/nfs/dbraw/zinc/52/51/44/510525144.db2.gz	HTMBJJUBJIABLJ-FXAWDEMLSA-N	0	0	359.445	2.917	10	30		FFEERN
C=CCc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc(OC)c1OC	ZINC000178332468	510551535	/nfs/dbraw/zinc/55/15/35/510551535.db2.gz	CVEUVXQTCDOOOC-MJGOQNOKSA-N	0	0	353.418	2.820	10	30		FFEERN
CCN(CCC#N)C(=O)CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000246635412	510592947	/nfs/dbraw/zinc/59/29/47/510592947.db2.gz	JHFYZWPDVWWQQJ-CVEARBPZSA-N	0	0	369.387	2.575	10	30		FFEERN
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccco1	ZINC000181805371	510603104	/nfs/dbraw/zinc/60/31/04/510603104.db2.gz	ZAOIARXTZLQSRD-ZFWWWQNUSA-N	0	0	353.378	2.873	10	30		FFEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCSCc1ccccc1C#N	ZINC000175633777	510704163	/nfs/dbraw/zinc/70/41/63/510704163.db2.gz	HFTKKEZKCSDYRN-INIZCTEOSA-N	0	0	370.482	2.526	10	30		FFEERN
N#CCCCCNC(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1	ZINC000178658480	510707955	/nfs/dbraw/zinc/70/79/55/510707955.db2.gz	ZKVCSGYHBOTWDN-UHFFFAOYSA-N	0	0	367.453	2.863	10	30		FFEERN
CCOC(=O)COc1ccc(C=Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OC	ZINC000263632377	510761610	/nfs/dbraw/zinc/76/16/10/510761610.db2.gz	HHRAXNCETLXAOC-UHFFFAOYSA-N	0	0	369.377	2.557	10	30		FFEERN
Cc1noc([C@@H]2COCCN2Cc2cccn2Cc2ccccc2C#N)n1	ZINC000188471891	510783428	/nfs/dbraw/zinc/78/34/28/510783428.db2.gz	VVOSKRGAMLHWEQ-IBGZPJMESA-N	0	0	363.421	2.673	10	30		FFEERN
Cc1cc(N2CCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)n[nH]1	ZINC000188500128	510797960	/nfs/dbraw/zinc/79/79/60/510797960.db2.gz	ZDFDYVMPCUJJDL-UHFFFAOYSA-N	0	0	368.441	2.731	10	30		FFEERN
Cc1csc([C@@H]2CN(CC(=O)N(C)C3(C#N)CCCCC3)CCO2)n1	ZINC000195393882	510811076	/nfs/dbraw/zinc/81/10/76/510811076.db2.gz	HEEKYJBSAXLYJO-HNNXBMFYSA-N	0	0	362.499	2.510	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc1Cl	ZINC000247204496	510851656	/nfs/dbraw/zinc/85/16/56/510851656.db2.gz	WMPVCBWPVPGIRK-BBRMVZONSA-N	0	0	354.859	2.527	10	30		FFEERN
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000247868199	510871830	/nfs/dbraw/zinc/87/18/30/510871830.db2.gz	XCZJEVUJBXMYNY-ZIAGYGMSSA-N	0	0	372.860	2.542	10	30		FFEERN
CSC1(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)CCC1	ZINC000329960527	510887061	/nfs/dbraw/zinc/88/70/61/510887061.db2.gz	RDWBHWBAEXFHCI-IUODEOHRSA-N	0	0	350.488	2.551	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCC[C@](C)(OC)CC1)CCC2	ZINC000329998470	510897242	/nfs/dbraw/zinc/89/72/42/510897242.db2.gz	SHVIOWRVUVXEGU-APWZRJJASA-N	0	0	364.490	2.712	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCO[C@H](C2CC2)C1	ZINC000330174658	510930087	/nfs/dbraw/zinc/93/00/87/510930087.db2.gz	IKQVBIKYFZRASC-IXDOHACOSA-N	0	0	352.381	2.820	10	30		FFEERN
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1c[nH]nc1[C@@H]1CCOC1	ZINC000330318590	510962517	/nfs/dbraw/zinc/96/25/17/510962517.db2.gz	CMFNOEKNDQKWPS-VXGBXAGGSA-N	0	0	362.380	2.775	10	30		FFEERN
Cc1csc([C@@H]2COCCN2C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)n1	ZINC000330327445	510964420	/nfs/dbraw/zinc/96/44/20/510964420.db2.gz	KXZJHYLJRUYWIJ-SOUVJXGZSA-N	0	0	353.488	2.800	10	30		FFEERN
CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)c1c[nH]nc1[C@H]1CCOC1)C2	ZINC000330353552	510973125	/nfs/dbraw/zinc/97/31/25/510973125.db2.gz	OPEQSLXTEMCCTB-STQMWFEESA-N	0	0	357.458	2.727	10	30		FFEERN
N#Cc1c(I)ccc(F)c1I	ZINC000307014598	511766309	/nfs/dbraw/zinc/76/63/09/511766309.db2.gz	SQQOOYFXMQDTOC-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
Cc1noc([C@H]2CN(c3ccc(C#N)cc3Br)CCN2C)n1	ZINC000284623773	511798213	/nfs/dbraw/zinc/79/82/13/511798213.db2.gz	SUHBGEAEVAZJAW-CQSZACIVSA-N	0	0	362.231	2.505	10	30		FFEERN
CCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(CC(N)=O)C1	ZINC000328605824	511891789	/nfs/dbraw/zinc/89/17/89/511891789.db2.gz	PJRAOOYGWBRLFV-AWEZNQCLSA-N	0	0	355.442	2.911	10	30		FFEERN
Cc1cnc([C@H](C)NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)s1	ZINC000328618675	511894405	/nfs/dbraw/zinc/89/44/05/511894405.db2.gz	VIXXJKQIOKQTFS-MJBXVCDLSA-N	0	0	350.488	2.807	10	30		FFEERN
O=C(NC[C@@H]1CCCn2ccnc21)N1CCC[C@H](c2noc(C3CC3)n2)C1	ZINC000328617704	511895234	/nfs/dbraw/zinc/89/52/34/511895234.db2.gz	UJGBKNRYKIPBTN-GJZGRUSLSA-N	0	0	370.457	2.815	10	30		FFEERN
CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(C(=O)N[C@H]2C=CCCC2)CC1	ZINC000328634317	511901722	/nfs/dbraw/zinc/90/17/22/511901722.db2.gz	MOMIXDJNINSIIS-RBUKOAKNSA-N	0	0	371.485	2.702	10	30		FFEERN
Cc1n[nH]cc1CNC(=O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1	ZINC000328637799	511902704	/nfs/dbraw/zinc/90/27/04/511902704.db2.gz	OVLUWSLYVMSPRQ-INIZCTEOSA-N	0	0	371.489	2.560	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@@H](c3nccs3)C1)CCC2	ZINC000328660965	511911568	/nfs/dbraw/zinc/91/15/68/511911568.db2.gz	WHYSYFIRWAYEPY-UONOGXRCSA-N	0	0	361.471	2.513	10	30		FFEERN
CC[C@@H]1CCCCN1C(=O)CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000328666366	511912948	/nfs/dbraw/zinc/91/29/48/511912948.db2.gz	CUOSHWANSCCAHL-MRUHUIDDSA-N	0	0	366.465	2.772	10	30		FFEERN
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCn3cc(C)nc32)C1	ZINC000328702678	511917669	/nfs/dbraw/zinc/91/76/69/511917669.db2.gz	JQXJUNYKRJRPRW-IBVPZYMJSA-N	0	0	366.531	2.652	10	30		FFEERN
O=C(NC1CCN(CC(F)(F)F)CC1)N[C@H]1CCC(=O)NC12CCC2	ZINC000328744485	511924669	/nfs/dbraw/zinc/92/46/69/511924669.db2.gz	NZZZVCMJWYQWSD-LBPRGKRZSA-N	0	0	362.396	2.558	10	30		FFEERN
CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)NC2C3CC4CC(C3)CC2C4)C1	ZINC000329008839	511966489	/nfs/dbraw/zinc/96/64/89/511966489.db2.gz	ZVUYEXFVJFOSHU-VDJFIIDHSA-N	0	0	359.474	2.614	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C	ZINC000329042207	511972295	/nfs/dbraw/zinc/97/22/95/511972295.db2.gz	OPBDPUHUQNZLLE-CBZIJGRNSA-N	0	0	369.469	2.857	10	30		FFEERN
C[C@H](CNC(=O)[C@@H]1CCCCC(=O)N1)N(C)C(=O)[C@@H]1CCCCC(=O)N1	ZINC000329121996	511987354	/nfs/dbraw/zinc/98/73/54/511987354.db2.gz	WNAKFXDNNDFGQT-RDBSUJKOSA-N	0	0	366.462	2.588	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@H](C)CC2CCCCC2)C1	ZINC000329170380	511997643	/nfs/dbraw/zinc/99/76/43/511997643.db2.gz	JMWJSNDVRUVXEA-NJAFHUGGSA-N	0	0	365.518	2.971	10	30		FFEERN
O=C(CN1CCO[C@@H](Cn2cccn2)C1)NC12CC3CC(CC(C3)C1)C2	ZINC000329179582	512000254	/nfs/dbraw/zinc/00/02/54/512000254.db2.gz	NVLJDQRUISHIEI-ZCYBBYNQSA-N	0	0	358.486	2.509	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@@H](Cc3ccccc3)C1)CCC2	ZINC000329205164	512004876	/nfs/dbraw/zinc/00/48/76/512004876.db2.gz	DHWCMNZAZWETBV-OALUTQOASA-N	0	0	368.481	2.926	10	30		FFEERN
CC(C)(C)[C@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)c2ccccc21	ZINC000329251205	512013507	/nfs/dbraw/zinc/01/35/07/512013507.db2.gz	BIOAYBCFQSUPGO-YQQAZPJKSA-N	0	0	355.442	2.782	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)[C@@]12CCCO2	ZINC000329251744	512014284	/nfs/dbraw/zinc/01/42/84/512014284.db2.gz	YFENSCLPTIMXTI-PLYMZZPJSA-N	0	0	367.490	2.750	10	30		FFEERN
C[C@H]1OCC[C@]12CN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)C[C@@H](C)O2	ZINC000329357236	512033839	/nfs/dbraw/zinc/03/38/39/512033839.db2.gz	HGHZHVUVDQJKMS-VUDSBAKHSA-N	0	0	367.490	2.702	10	30		FFEERN
CN1CC[C@H](NC(=O)N[C@@H]2CCCCC[C@H]2O)[C@@H]1c1ccc(F)c(F)c1	ZINC000329387105	512038616	/nfs/dbraw/zinc/03/86/16/512038616.db2.gz	QTXVXEAENRJEMT-XDNAFOTISA-N	0	0	367.440	2.907	10	30		FFEERN
CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2C3CC4CC(C3)CC2C4)C1	ZINC000329480686	512054266	/nfs/dbraw/zinc/05/42/66/512054266.db2.gz	DBHSJMCGWSYYEO-GSVLIZDISA-N	0	0	354.516	2.829	10	30		FFEERN
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@](O)(C(F)(F)F)CC1	ZINC000329489097	512056678	/nfs/dbraw/zinc/05/66/78/512056678.db2.gz	HIZXZCKENUICJB-IAQYHMDHSA-N	0	0	363.380	2.721	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC(C)(C)C1	ZINC000329490503	512057409	/nfs/dbraw/zinc/05/74/09/512057409.db2.gz	SMIPUDQMAXNVGA-JCKWVBRZSA-N	0	0	373.501	2.507	10	30		FFEERN
Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3ccc(F)cc3Cl)CCO2)[nH]1	ZINC000329737038	512091956	/nfs/dbraw/zinc/09/19/56/512091956.db2.gz	LVWVSMJQQCWXHZ-YMTOWFKASA-N	0	0	367.812	2.956	10	30		FFEERN
Cc1nc([C@@H]2CCCN(C(=O)N[C@H](C)CN3CCCC3=O)C2)sc1C	ZINC000329734635	512092065	/nfs/dbraw/zinc/09/20/65/512092065.db2.gz	KLNTWYGZNLIUTJ-IUODEOHRSA-N	0	0	364.515	2.864	10	30		FFEERN
CC(C)(C)C(=O)NC1CCC(c2nc([C@@H]3CN4CCN3CC4)no2)CC1	ZINC000329751276	512093417	/nfs/dbraw/zinc/09/34/17/512093417.db2.gz	ITBBNCYIBSHXKQ-NRXISQOPSA-N	0	0	361.490	2.771	10	30		FFEERN
N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@H]2CCC[C@@H]2C1	ZINC000408007821	512982647	/nfs/dbraw/zinc/98/26/47/512982647.db2.gz	JNNISMFPLYXCJV-GHMZBOCLSA-N	0	0	355.257	2.741	10	30		FFEERN
N#CC1(CS(=O)(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)CCCCC1	ZINC000408027834	512986022	/nfs/dbraw/zinc/98/60/22/512986022.db2.gz	MUVPMIPGXMZCTB-SJORKVTESA-N	0	0	366.458	2.737	10	30		FFEERN
COC(=O)c1c(C#N)ccc(OC(F)F)c1I	ZINC000575386392	518208920	/nfs/dbraw/zinc/20/89/20/518208920.db2.gz	TUQCGMVMRFOKPX-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
N#CCc1cc(I)c(OC(F)F)c([N+](=O)[O-])c1	ZINC000575665282	518245566	/nfs/dbraw/zinc/24/55/66/518245566.db2.gz	BQNAXQCIZQKMAI-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
C[C@@H](Oc1ccccc1C#N)C(=O)OCc1nccn1CC(F)(F)F	ZINC000103219235	728495305	/nfs/dbraw/zinc/49/53/05/728495305.db2.gz	NSDQOAWPNHUJSX-LLVKDONJSA-N	0	0	353.300	2.828	10	30		FFEERN
C=CCn1c(=S)sc2c1ncn(Cc1nc(-c3ccoc3)no1)c2=O	ZINC000105572779	728506597	/nfs/dbraw/zinc/50/65/97/728506597.db2.gz	VJLZBFHTOPQSOM-UHFFFAOYSA-N	0	0	373.419	2.866	10	30		FFEERN
N#Cc1ccc(CSCC(=O)N2CCC(Cn3cccn3)CC2)cc1	ZINC000125985661	728690840	/nfs/dbraw/zinc/69/08/40/728690840.db2.gz	GGTXIPDYARQWIW-UHFFFAOYSA-N	0	0	354.479	2.927	10	30		FFEERN
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	ZINC000245422763	729569626	/nfs/dbraw/zinc/56/96/26/729569626.db2.gz	AHZITPNBEGIUGS-GXTWGEPZSA-N	0	0	369.512	2.647	10	30		FFEERN
CC(C)[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000255032160	729629819	/nfs/dbraw/zinc/62/98/19/729629819.db2.gz	VBVOJSRAGXFUEN-BPHPCYGNSA-N	0	0	366.487	2.665	10	30		FFEERN
C[C@@H]1OCC[C@@H]1NC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1	ZINC000328732284	729794946	/nfs/dbraw/zinc/79/49/46/729794946.db2.gz	HBHGVSUQOGHBBS-JQWIXIFHSA-N	0	0	357.813	2.819	10	30		FFEERN
C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H]1C(=O)N1CCSCC1	ZINC000329126310	729796420	/nfs/dbraw/zinc/79/64/20/729796420.db2.gz	YLBDJJHNRAFZRM-PMPSAXMXSA-N	0	0	353.532	2.561	10	30		FFEERN
CN(C[C@@H]1CCCCO1)C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000329224250	729796742	/nfs/dbraw/zinc/79/67/42/729796742.db2.gz	ZJQNECDORGQSPF-KGLIPLIRSA-N	0	0	365.861	2.860	10	30		FFEERN
O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)NC[C@H]1CCCCS1(=O)=O	ZINC000329615370	729798231	/nfs/dbraw/zinc/79/82/31/729798231.db2.gz	DFGLKUUVTVGPHO-YNEHKIRRSA-N	0	0	370.437	2.826	10	30		FFEERN
CC(=O)N1CCC(NC(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)CC1	ZINC000329699232	729798780	/nfs/dbraw/zinc/79/87/80/729798780.db2.gz	DBARVGNEKZEWLF-HNNXBMFYSA-N	0	0	364.515	2.864	10	30		FFEERN
Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)CC2	ZINC000332904089	729805137	/nfs/dbraw/zinc/80/51/37/729805137.db2.gz	ABSSGFBUJNTYNO-MDZLAQPJSA-N	0	0	352.360	2.717	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2ccc(Cl)cc2C#N)C1	ZINC000702764200	734356724	/nfs/dbraw/zinc/35/67/24/734356724.db2.gz	AMSRGIVWONRIJL-DOMZBBRYSA-N	0	0	351.834	2.851	10	30		FFEERN
C[C@@H](NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)c1cncc(F)c1	ZINC000330191892	970952314	/nfs/dbraw/zinc/95/23/14/970952314.db2.gz	NJFNYAFRDRDNJK-GFCCVEGCSA-N	0	0	358.421	2.618	10	30		FFEERN
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cn1	ZINC000330232629	971428683	/nfs/dbraw/zinc/42/86/83/971428683.db2.gz	FOGBOEXAYBWONG-HIFRSBDPSA-N	0	0	374.466	2.696	10	30		FFEERN
C=CCN(CC=C)C(=O)COC(=O)c1c(C)oc(-n2cccc2)c1C#N	ZINC000007672189	1013195308	/nfs/dbraw/zinc/19/53/08/1013195308.db2.gz	PYTDXLCGBHKQKP-UHFFFAOYSA-N	0	0	353.378	2.608	10	30		FFEERN
N#Cc1ccc2ncc(/C=C3\COc4c(cc(F)cc4[N+](=O)[O-])C3=O)n2c1	ZINC000588425862	964264041	/nfs/dbraw/zinc/26/40/41/964264041.db2.gz	QUQULGPORHXTSS-QDEBKDIKSA-N	0	0	364.292	2.912	10	30		FFEERN
CC(C)c1nnc2n1CCN(CC(=O)Nc1ccc3c(c1)OCCCO3)C2	ZINC000329195234	967553882	/nfs/dbraw/zinc/55/38/82/967553882.db2.gz	VGJJNGLRYUVPLE-UHFFFAOYSA-N	0	0	371.441	2.667	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1	ZINC000329699508	967954482	/nfs/dbraw/zinc/95/44/82/967954482.db2.gz	DDNYVOPTCHTXGJ-SMDDNHRTSA-N	0	0	355.377	2.506	10	30		FFEERN
O=C(NCC[C@@H]1COc2ccccc2O1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000330063799	970278600	/nfs/dbraw/zinc/27/86/00/970278600.db2.gz	BTPKLXWBWQXODR-RZQQEMMASA-N	0	0	360.454	2.758	10	30		FFEERN
COc1cc(C=CC(=O)N2CCC(c3cc[nH]n3)CC2)ccc1OCC#N	ZINC000125845100	981181181	/nfs/dbraw/zinc/18/11/81/981181181.db2.gz	RJOCRPZLTAAKSF-HWKANZROSA-N	0	0	366.421	2.740	10	30		FFEERN
C=C(C)[C@H]1CC=C(C)C(=NNC(=O)c2nn(C)c(=O)c3ccccc32)C1	ZINC000008341672	981611698	/nfs/dbraw/zinc/61/16/98/981611698.db2.gz	DUGDKFONVZYESA-AWEZNQCLSA-N	0	0	350.422	2.952	10	30		FFEERN
N#CCN1c2cscc2S(=O)(=O)N(Cc2cccc(F)c2)C1=O	ZINC000001903984	210226235	/nfs/dbraw/zinc/22/62/35/210226235.db2.gz	FDCBGLBKYVKOHT-UHFFFAOYSA-N	0	0	351.384	2.542	10	30		FFEERN
Cc1ccc(-c2csc3ncn(CCC(=O)N[C@H](C)C#N)c(=O)c23)cc1	ZINC000068925264	221319836	/nfs/dbraw/zinc/31/98/36/221319836.db2.gz	IMMRWFIVDYHHSD-CYBMUJFWSA-N	0	0	366.446	2.852	10	30		FFEERN
CNS(=O)(=O)c1ccccc1CNc1cc(C#N)nc2ccccc21	ZINC000301405155	258047952	/nfs/dbraw/zinc/04/79/52/258047952.db2.gz	TWGZPKVTEOZRBL-UHFFFAOYSA-N	0	0	352.419	2.627	10	30		FFEERN
C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)N1CCOC[C@@H]1C	ZINC000301383130	258046284	/nfs/dbraw/zinc/04/62/84/258046284.db2.gz	BAJCNZMVZPBPHO-OLZOCXBDSA-N	0	0	355.398	2.536	10	30		FFEERN
CCc1nnc(NCCOc2ccc3c(c2)CCC(=O)N3)c(C#N)c1CC	ZINC000301611386	258058638	/nfs/dbraw/zinc/05/86/38/258058638.db2.gz	DPSGJPAJQZHBGO-UHFFFAOYSA-N	0	0	365.437	2.849	10	30		FFEERN
N#Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1	ZINC000301666311	258061965	/nfs/dbraw/zinc/06/19/65/258061965.db2.gz	WVARLDSGBKSABS-WOJBJXKFSA-N	0	0	364.405	2.556	10	30		FFEERN
N#Cc1cc(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)nc2ccc(Cl)cc12	ZINC000301960022	258078130	/nfs/dbraw/zinc/07/81/30/258078130.db2.gz	PTTYYRWCCOHNSS-ADLMAVQZSA-N	0	0	369.812	2.550	10	30		FFEERN
CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)c1nc2c(cc1C#N)CCC2	ZINC000329173435	258131629	/nfs/dbraw/zinc/13/16/29/258131629.db2.gz	AOJIOWMTKOZQEP-SFTDATJTSA-N	0	0	362.477	2.950	10	30		FFEERN
COC(=O)Cc1cc(I)c(C#N)cc1C(F)(F)F	ZINC000575392227	518209422	/nfs/dbraw/zinc/20/94/22/518209422.db2.gz	FGRPADRFVXYKFV-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
COc1cccc(-n2cc(C(=O)N(C)CCC#N)c3ccccc3c2=O)c1	ZINC000006892624	506515652	/nfs/dbraw/zinc/51/56/52/506515652.db2.gz	QDPXWOJKGCKBMK-UHFFFAOYSA-N	0	0	361.401	2.985	10	30		FFEERN
Cc1cc(C#N)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC(C)C)c1	ZINC000059103300	507494948	/nfs/dbraw/zinc/49/49/48/507494948.db2.gz	LPNHHACPZHFCDJ-UHFFFAOYSA-N	0	0	353.422	2.727	10	30		FFEERN
N#C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C1CC1	ZINC000108828434	507920957	/nfs/dbraw/zinc/92/09/57/507920957.db2.gz	ROTJMNDGQUDRHA-QGZVFWFLSA-N	0	0	355.419	2.519	10	30		FFEERN
N#C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C1CC1	ZINC000108831303	507921497	/nfs/dbraw/zinc/92/14/97/507921497.db2.gz	XDYFITAYLMTXTM-QGZVFWFLSA-N	0	0	351.406	2.647	10	30		FFEERN
N#C[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C1CC1	ZINC000108832877	507921566	/nfs/dbraw/zinc/92/15/66/507921566.db2.gz	YQWXSXVSCLJJJX-SFHVURJKSA-N	0	0	354.431	2.692	10	30		FFEERN
N#Cc1ccc(NC(=O)COc2cc(Cl)ccc2C(N)=O)cc1Cl	ZINC000109369775	507958051	/nfs/dbraw/zinc/95/80/51/507958051.db2.gz	NESSVPOJKLTKJO-UHFFFAOYSA-N	0	0	364.188	2.981	10	30		FFEERN
CCc1nccn1[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1	ZINC000109677359	507979690	/nfs/dbraw/zinc/97/96/90/507979690.db2.gz	CSTOARHTLFSMLT-WBVHZDCISA-N	0	0	352.438	2.948	10	30		FFEERN
N#Cc1cccc(OCCCCC(=O)N2c3ccccc3C[C@H]2C(N)=O)c1	ZINC000110259872	508017030	/nfs/dbraw/zinc/01/70/30/508017030.db2.gz	LXDVRMBUZKJZJB-IBGZPJMESA-N	0	0	363.417	2.551	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cc1ccc(OCC#N)cc1	ZINC000110728109	508044103	/nfs/dbraw/zinc/04/41/03/508044103.db2.gz	RRJDSIRPBJCYTN-GOSISDBHSA-N	0	0	352.438	2.846	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)c1	ZINC000111749741	508118943	/nfs/dbraw/zinc/11/89/43/508118943.db2.gz	RIJQRIPBIXSDBR-SFHVURJKSA-N	0	0	356.426	2.771	10	30		FFEERN
CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)c1ncccc1C#N	ZINC000095086699	508172617	/nfs/dbraw/zinc/17/26/17/508172617.db2.gz	LUROZZMEOPKNCN-AWEZNQCLSA-N	0	0	365.455	2.517	10	30		FFEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C	ZINC000081451585	508176473	/nfs/dbraw/zinc/17/64/73/508176473.db2.gz	OQLNSNCAQLDZOU-HNNXBMFYSA-N	0	0	362.474	2.535	10	30		FFEERN
C[C@@H](NC(N)=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1	ZINC000102757510	508283911	/nfs/dbraw/zinc/28/39/11/508283911.db2.gz	AIHDXEMTYKKJOH-LLVKDONJSA-N	0	0	372.812	2.786	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1cc(C#N)ccc1C	ZINC000114674123	508336322	/nfs/dbraw/zinc/33/63/22/508336322.db2.gz	JNEPLSOBRZUXPC-INIZCTEOSA-N	0	0	358.467	2.743	10	30		FFEERN
N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1CN(C2CC2)CCO1	ZINC000114858849	508354191	/nfs/dbraw/zinc/35/41/91/508354191.db2.gz	RHWCCAGPUSEKHY-SFHVURJKSA-N	0	0	361.445	2.818	10	30		FFEERN
Cc1ncc(CN2CCN(Cc3cn4ccccc4c3C#N)CC2)s1	ZINC000106090485	508392434	/nfs/dbraw/zinc/39/24/34/508392434.db2.gz	HLNQEKNSTYNYLB-UHFFFAOYSA-N	0	0	351.479	2.894	10	30		FFEERN
CCOc1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1F	ZINC000106233421	508398430	/nfs/dbraw/zinc/39/84/30/508398430.db2.gz	IMUYNLSUBUTEEO-UHFFFAOYSA-N	0	0	352.362	2.714	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2CC[C@H](Oc3cccnc3)C2)cc1Cl	ZINC000152552881	508468678	/nfs/dbraw/zinc/46/86/78/508468678.db2.gz	JOPAYRPITONWOP-INIZCTEOSA-N	0	0	356.813	2.698	10	30		FFEERN
C=CCc1cc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)cc(OC)c1O	ZINC000122565958	508554864	/nfs/dbraw/zinc/55/48/64/508554864.db2.gz	CSYOXWGCRXSTDD-LJQANCHMSA-N	0	0	371.481	2.844	10	30		FFEERN
C[C@H](C#N)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1	ZINC000134696685	508560334	/nfs/dbraw/zinc/56/03/34/508560334.db2.gz	MTMLVHWPPGKPAL-SSDOTTSWSA-N	0	0	354.153	2.729	10	30		FFEERN
CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1C#N	ZINC000157625509	508589674	/nfs/dbraw/zinc/58/96/74/508589674.db2.gz	ZEGJPMQQLQPEKC-MAUKXSAKSA-N	0	0	372.469	2.530	10	30		FFEERN
Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000123118542	508639664	/nfs/dbraw/zinc/63/96/64/508639664.db2.gz	FQPQLVOLRKGFCE-OAHLLOKOSA-N	0	0	364.858	2.570	10	30		FFEERN
C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1cccc(-n2ccnc2)c1	ZINC000123384732	508678693	/nfs/dbraw/zinc/67/86/93/508678693.db2.gz	JLUABXSHFKENME-ZDUSSCGKSA-N	0	0	370.409	2.923	10	30		FFEERN
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)cc1	ZINC000119124961	508731159	/nfs/dbraw/zinc/73/11/59/508731159.db2.gz	QQLVESXVPVDRAM-RHSMWYFYSA-N	0	0	363.417	2.910	10	30		FFEERN
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](Oc2cccnc2)C1	ZINC000154657844	508827847	/nfs/dbraw/zinc/82/78/47/508827847.db2.gz	LZXGXZJAKUNFBN-PXNSSMCTSA-N	0	0	364.449	2.870	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000150783596	508892841	/nfs/dbraw/zinc/89/28/41/508892841.db2.gz	VOKJTYBBVZZUIX-MRXNPFEDSA-N	0	0	350.426	2.789	10	30		FFEERN
C#CCOc1ccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1	ZINC000120234779	508956267	/nfs/dbraw/zinc/95/62/67/508956267.db2.gz	VGAIUYFKWRMBTA-UHFFFAOYSA-N	0	0	368.458	2.748	10	30		FFEERN
Cn1cnc2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cnc21	ZINC000160397429	508980989	/nfs/dbraw/zinc/98/09/89/508980989.db2.gz	UGWOSMVADOZCGS-UHFFFAOYSA-N	0	0	361.405	2.524	10	30		FFEERN
Cc1ccc([C@H]2CN(C(=O)NCCOc3ccc(C#N)cc3)CCO2)o1	ZINC000120465631	509001879	/nfs/dbraw/zinc/00/18/79/509001879.db2.gz	GSAHKMISVJJTTB-GOSISDBHSA-N	0	0	355.394	2.622	10	30		FFEERN
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1C[C@@H]1C1CCCCC1	ZINC000161001901	509058888	/nfs/dbraw/zinc/05/88/88/509058888.db2.gz	WLEGUIJCCJZXMX-DJIMGWMZSA-N	0	0	353.470	2.602	10	30		FFEERN
COc1cc(C#N)ccc1CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000120871920	509079690	/nfs/dbraw/zinc/07/96/90/509079690.db2.gz	XNTSQOPVQQCVEX-UHFFFAOYSA-N	0	0	367.497	2.836	10	30		FFEERN
Cc1cc(C)n(C[C@H]2CN(CCCOc3cccc(C#N)c3)CCO2)n1	ZINC000156225230	509146714	/nfs/dbraw/zinc/14/67/14/509146714.db2.gz	KRIGCHMPGJJJHL-HXUWFJFHSA-N	0	0	354.454	2.542	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](NC(=O)CCC)C1	ZINC000126940409	509150504	/nfs/dbraw/zinc/15/05/04/509150504.db2.gz	LTMXJNBEKOQCDI-OAHLLOKOSA-N	0	0	360.454	2.781	10	30		FFEERN
CCCC[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C	ZINC000162049357	509170679	/nfs/dbraw/zinc/17/06/79/509170679.db2.gz	VPJJGBSMTUXGSJ-MRXNPFEDSA-N	0	0	366.483	2.878	10	30		FFEERN
N#Cc1ccccc1NC(=O)CCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000121564258	509178543	/nfs/dbraw/zinc/17/85/43/509178543.db2.gz	NGIBGEQAOMMNMM-DNVCBOLYSA-N	0	0	371.387	2.973	10	30		FFEERN
N#Cc1cccc(NC(=O)CN2CCCC[C@H]2c2nnc3n2CCCC3)c1	ZINC000195511172	509204184	/nfs/dbraw/zinc/20/41/84/509204184.db2.gz	FGQTYGJKRXKKSW-KRWDZBQOSA-N	0	0	364.453	2.652	10	30		FFEERN
C=C(C)C[C@@H](C)C(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1	ZINC000185544960	509230926	/nfs/dbraw/zinc/23/09/26/509230926.db2.gz	HQPYHIJKDFDONA-CQSZACIVSA-N	0	0	352.910	2.882	10	30		FFEERN
N#CCCCOc1cccnc1NC(=O)N1CCC(c2cc[nH]n2)CC1	ZINC000188774775	509257197	/nfs/dbraw/zinc/25/71/97/509257197.db2.gz	YRAFZJHUPBMOMS-UHFFFAOYSA-N	0	0	354.414	2.899	10	30		FFEERN
CC[C@@H]1C(c2ccccc2)=[N+]([O-])[C@](C)(C(=O)c2ccc(OC)cc2)N1O	ZINC000225404176	509370691	/nfs/dbraw/zinc/37/06/91/509370691.db2.gz	LVZDZMGPKWQUIU-YLJYHZDGSA-N	0	0	355.414	2.969	10	30		FFEERN
C=C(C)[C@H](NC(=O)N1CCN(C[C@@H](O)CC)CC1)c1ccc(F)c(F)c1	ZINC000185848121	509383380	/nfs/dbraw/zinc/38/33/80/509383380.db2.gz	PTFPFRQUSKWMAQ-YJBOKZPZSA-N	0	0	367.440	2.680	10	30		FFEERN
C=C(C)[C@@H](NC(=O)N1CCN(CCOC)[C@@H](C)C1)c1ccc(F)c(F)c1	ZINC000185849239	509385315	/nfs/dbraw/zinc/38/53/15/509385315.db2.gz	FNHASYHMDHNRSQ-KBXCAEBGSA-N	0	0	367.440	2.944	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](c3nccs3)C2)cc1	ZINC000176222796	509387833	/nfs/dbraw/zinc/38/78/33/509387833.db2.gz	RTLPHWBSWSEXMA-HNNXBMFYSA-N	0	0	361.492	2.668	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1	ZINC000192276921	509439843	/nfs/dbraw/zinc/43/98/43/509439843.db2.gz	ZBTXQCFHXORTHY-GOSISDBHSA-N	0	0	372.400	2.660	10	30		FFEERN
CCO[C@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C12CCOCC2	ZINC000189167596	509447053	/nfs/dbraw/zinc/44/70/53/509447053.db2.gz	PRCOEQZGRIBOAH-MSOLQXFVSA-N	0	0	354.450	2.680	10	30		FFEERN
CCO[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C12CCOCC2	ZINC000185969754	509455218	/nfs/dbraw/zinc/45/52/18/509455218.db2.gz	XGEZJFZBYDVHAG-MSOLQXFVSA-N	0	0	357.454	2.674	10	30		FFEERN
N#Cc1cccnc1N1CCN(C(=O)Nc2c[nH]nc2-c2ccccc2)CC1	ZINC000179488334	509472461	/nfs/dbraw/zinc/47/24/61/509472461.db2.gz	DXFYDENHYGHJHB-UHFFFAOYSA-N	0	0	373.420	2.697	10	30		FFEERN
C[C@@H](Cn1cc(Br)cn1)Nc1cnn(-c2ncccc2C#N)c1	ZINC000186009654	509477281	/nfs/dbraw/zinc/47/72/81/509477281.db2.gz	SYNSEOOXNUZPKQ-NSHDSACASA-N	0	0	372.230	2.599	10	30		FFEERN
C[C@H](CC(=O)N(C)c1ccccc1)Nc1cnn(-c2ncccc2C#N)c1	ZINC000186023920	509485513	/nfs/dbraw/zinc/48/55/13/509485513.db2.gz	DOZDDOFAOROPAH-OAHLLOKOSA-N	0	0	360.421	2.992	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2nncn2CC)C1	ZINC000183037818	509560144	/nfs/dbraw/zinc/56/01/44/509560144.db2.gz	IVCCKEPJSLKVTB-HNNXBMFYSA-N	0	0	368.441	2.980	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(CC#N)cc2)cs1	ZINC000189445476	509579205	/nfs/dbraw/zinc/57/92/05/509579205.db2.gz	RCOLBMRDIHXMTB-INIZCTEOSA-N	0	0	354.435	2.820	10	30		FFEERN
C[C@@H]1CN([C@@H](CNC(=O)c2ccc(C#N)cc2)c2cccs2)CCO1	ZINC000176585247	509595700	/nfs/dbraw/zinc/59/57/00/509595700.db2.gz	KMIXXXSHKRHMBG-PBHICJAKSA-N	0	0	355.463	2.812	10	30		FFEERN
Cc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CCO2)o1	ZINC000167782064	509640546	/nfs/dbraw/zinc/64/05/46/509640546.db2.gz	KBWVNDXOSLPMFP-HNNXBMFYSA-N	0	0	366.826	2.875	10	30		FFEERN
COC(=O)[C@@]1(C)CCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000186394608	509687831	/nfs/dbraw/zinc/68/78/31/509687831.db2.gz	TYWIKAWIEGJPNN-GOSISDBHSA-N	0	0	363.845	2.614	10	30		FFEERN
Cc1csc([C@H]2CN([C@H](C)C(=O)Nc3ccccc3C#N)CCO2)n1	ZINC000249871960	509777523	/nfs/dbraw/zinc/77/75/23/509777523.db2.gz	KFRKTVKCIQNUOE-CZUORRHYSA-N	0	0	356.451	2.724	10	30		FFEERN
C=C(C)[C@H](NC(=O)N1CCN(CCOC)[C@H](C)C1)c1ccc(F)c(F)c1	ZINC000251502745	509808821	/nfs/dbraw/zinc/80/88/21/509808821.db2.gz	FNHASYHMDHNRSQ-KDOFPFPSSA-N	0	0	367.440	2.944	10	30		FFEERN
COc1ccnc(N2CCC(C(=O)Nc3ccc(Cl)c(C#N)c3)CC2)n1	ZINC000193192136	509813803	/nfs/dbraw/zinc/81/38/03/509813803.db2.gz	FFJCPKSKSDQGEQ-UHFFFAOYSA-N	0	0	371.828	2.865	10	30		FFEERN
CN1Cc2cc(NC(=O)NCc3cc(C#N)ccc3F)ccc2NC1=O	ZINC000186697108	509858531	/nfs/dbraw/zinc/85/85/31/509858531.db2.gz	ANYQBMZFEXZULP-UHFFFAOYSA-N	0	0	353.357	2.996	10	30		FFEERN
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(-n2ccnc2)c1	ZINC000173964273	509878765	/nfs/dbraw/zinc/87/87/65/509878765.db2.gz	IASWVGAKXXWNEI-CQSZACIVSA-N	0	0	352.419	2.783	10	30		FFEERN
CCOCCN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H]1CC	ZINC000180419940	509917158	/nfs/dbraw/zinc/91/71/58/509917158.db2.gz	MGNSYYTUDBPGQL-LJQANCHMSA-N	0	0	355.482	2.815	10	30		FFEERN
COc1cnccc1[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000187008735	510002500	/nfs/dbraw/zinc/00/25/00/510002500.db2.gz	KZMIQERVCDCQBN-RDTXWAMCSA-N	0	0	350.422	2.808	10	30		FFEERN
CC[C@H](CC#N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1	ZINC000183918834	510038677	/nfs/dbraw/zinc/03/86/77/510038677.db2.gz	ITQTYQMUZJKUSJ-HZPDHXFCSA-N	0	0	355.463	2.898	10	30		FFEERN
N#CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1	ZINC000171594830	510243899	/nfs/dbraw/zinc/24/38/99/510243899.db2.gz	FADXZHYHSLQGRA-INIZCTEOSA-N	0	0	355.463	2.899	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1ccccc1O[C@H](C)C#N)CC2	ZINC000184350670	510278376	/nfs/dbraw/zinc/27/83/76/510278376.db2.gz	TWHFKIBMSZZTME-KGLIPLIRSA-N	0	0	368.441	2.829	10	30		FFEERN
C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)N1CCOCC1	ZINC000181338120	510361905	/nfs/dbraw/zinc/36/19/05/510361905.db2.gz	DMFXETGMEKPHRN-INIZCTEOSA-N	0	0	365.433	2.801	10	30		FFEERN
CCCn1cc(CN2CCCN(C(=O)c3cccc(CC#N)c3)CC2)cn1	ZINC000171818176	510388760	/nfs/dbraw/zinc/38/87/60/510388760.db2.gz	LFBNRVNYKIIWLG-UHFFFAOYSA-N	0	0	365.481	2.707	10	30		FFEERN
Cc1cnn([C@H]2CCCN(C(=O)NCc3ccc(OCC#N)cc3)C2)c1	ZINC000171906930	510445122	/nfs/dbraw/zinc/44/51/22/510445122.db2.gz	KOYXNTCPVGZOMM-KRWDZBQOSA-N	0	0	353.426	2.641	10	30		FFEERN
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1c1csc(C)n1	ZINC000188007732	510545122	/nfs/dbraw/zinc/54/51/22/510545122.db2.gz	YAYMZCFVPHIFDS-AWEZNQCLSA-N	0	0	363.464	2.858	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000188043534	510564869	/nfs/dbraw/zinc/56/48/69/510564869.db2.gz	YBBPWOPRYXEBMX-AWEZNQCLSA-N	0	0	353.426	2.550	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000188053928	510569382	/nfs/dbraw/zinc/56/93/82/510569382.db2.gz	URQCXSJJMOQHGE-CQSZACIVSA-N	0	0	353.426	2.550	10	30		FFEERN
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](Oc2cccnc2)C1	ZINC000246605414	510580004	/nfs/dbraw/zinc/58/00/04/510580004.db2.gz	JFOKAKKOPQXDOF-ULRHQZHYSA-N	0	0	370.497	2.854	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000188096429	510591064	/nfs/dbraw/zinc/59/10/64/510591064.db2.gz	BPTHNNSMIKNONP-MRXNPFEDSA-N	0	0	365.437	2.621	10	30		FFEERN
C[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@H]1N1CCOCC1	ZINC000246637048	510596003	/nfs/dbraw/zinc/59/60/03/510596003.db2.gz	ZDYXTMNCADMTSK-SJKOYZFVSA-N	0	0	358.392	2.542	10	30		FFEERN
Cc1noc([C@@H]2COCCN2CC#Cc2ccc(C(F)(F)F)cc2)n1	ZINC000185081502	510674356	/nfs/dbraw/zinc/67/43/56/510674356.db2.gz	VNQDMEWYIRZXFD-HNNXBMFYSA-N	0	0	351.328	2.822	10	30		FFEERN
C[C@@H]1CN([C@H](CNC(=O)c2sccc2C#N)c2cccs2)CCO1	ZINC000247002509	510793151	/nfs/dbraw/zinc/79/31/51/510793151.db2.gz	RDYAMBAHFCRBEU-TZMCWYRMSA-N	0	0	361.492	2.873	10	30		FFEERN
C[C@H](C#N)NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1	ZINC000195442650	510827460	/nfs/dbraw/zinc/82/74/60/510827460.db2.gz	XARHRALGGJRXPJ-SECBINFHSA-N	0	0	362.183	2.936	10	30		FFEERN
N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1O	ZINC000188621404	510845381	/nfs/dbraw/zinc/84/53/81/510845381.db2.gz	WXDVEYUWQGTTGA-OAHLLOKOSA-N	0	0	351.410	2.559	10	30		FFEERN
CS[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1	ZINC000329904976	510873881	/nfs/dbraw/zinc/87/38/81/510873881.db2.gz	JJYKEUOAEIOFCF-LJISPDSOSA-N	0	0	367.494	2.571	10	30		FFEERN
C[C@@H]1CC[C@H](NC(=O)N2CCc3c(ncn(C)c3=O)C2)c2ccccc21	ZINC000330068630	510909830	/nfs/dbraw/zinc/90/98/30/510909830.db2.gz	VNUILCXMEBZRGS-DYVFJYSZSA-N	0	0	352.438	2.691	10	30		FFEERN
C[C@@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)c1cc2ccccc2o1	ZINC000330108878	510918463	/nfs/dbraw/zinc/91/84/63/510918463.db2.gz	OHZYHZDMFADRII-GFCCVEGCSA-N	0	0	352.394	2.560	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1	ZINC000330204222	510935990	/nfs/dbraw/zinc/93/59/90/510935990.db2.gz	BLRYKWSBORXEMX-YIYPIFLZSA-N	0	0	350.419	2.540	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(C(=O)NC[C@@H]3CCO[C@H]3C(C)C)C2)no1	ZINC000330219813	510939748	/nfs/dbraw/zinc/93/97/48/510939748.db2.gz	PTQDHANZKHLUMO-ZOBUZTSGSA-N	0	0	350.463	2.608	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1CCOc2ccc(Br)cc2C1	ZINC000330272956	510953879	/nfs/dbraw/zinc/95/38/79/510953879.db2.gz	YKNLCLIEBQJGFQ-ZWNOBZJWSA-N	0	0	355.232	2.735	10	30		FFEERN
Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000330322077	510963635	/nfs/dbraw/zinc/96/36/35/510963635.db2.gz	GOJWVPQVIVIPOR-SNVBAGLBSA-N	0	0	354.332	2.878	10	30		FFEERN
C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C(=O)N1c1ccccc1	ZINC000330336478	510968776	/nfs/dbraw/zinc/96/87/76/510968776.db2.gz	SNQTXIRLKMOGHJ-XFKAJCMBSA-N	0	0	368.437	2.648	10	30		FFEERN
COC(=O)c1ccc(I)c(Br)c1C#N	ZINC000307184097	511765751	/nfs/dbraw/zinc/76/57/51/511765751.db2.gz	ZXZNWYVUEGYLFW-UHFFFAOYSA-N	0	0	365.952	2.712	10	30		FFEERN
Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C	ZINC000284611196	511792940	/nfs/dbraw/zinc/79/29/40/511792940.db2.gz	QSSAHERZDWXJAO-SJORKVTESA-N	0	0	367.428	2.935	10	30		FFEERN
CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CCS1	ZINC000328602668	511890725	/nfs/dbraw/zinc/89/07/25/511890725.db2.gz	HDAQXGDLXVBZEH-PMPSAXMXSA-N	0	0	353.532	2.765	10	30		FFEERN
CCn1nc(NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)cc1C1CC1	ZINC000328658695	511910306	/nfs/dbraw/zinc/91/03/06/511910306.db2.gz	RNGPHZZJRUFLOR-MAUKXSAKSA-N	0	0	355.442	2.844	10	30		FFEERN
Cc1cc(N(C)C)nc(NC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)n1	ZINC000328659837	511910824	/nfs/dbraw/zinc/91/08/24/511910824.db2.gz	UGKSQLVFHOBGBR-HNNXBMFYSA-N	0	0	374.489	2.501	10	30		FFEERN
C[C@@H]1CCC[C@H](C)N1C(=O)CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000328670283	511913083	/nfs/dbraw/zinc/91/30/83/511913083.db2.gz	GIVNEBFNFMXIPM-KGWSRGFLSA-N	0	0	366.465	2.771	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCN(C(=O)NC2C3CC4CC(C3)CC2C4)CC1	ZINC000328733771	511923431	/nfs/dbraw/zinc/92/34/31/511923431.db2.gz	YEAUDVQAHOCVPH-OBYDGYHJSA-N	0	0	354.516	2.624	10	30		FFEERN
O=C(N[C@H]1CCC(=O)NC12CCC2)[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000328762920	511927955	/nfs/dbraw/zinc/92/79/55/511927955.db2.gz	ZPSMOAXSIRKFHW-GJZGRUSLSA-N	0	0	362.474	2.912	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1F)CCNC2=O	ZINC000328903911	511948046	/nfs/dbraw/zinc/94/80/46/511948046.db2.gz	IORCCFUZIQUXGM-MLGOLLRUSA-N	0	0	358.373	2.786	10	30		FFEERN
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1	ZINC000328970573	511958349	/nfs/dbraw/zinc/95/83/49/511958349.db2.gz	UVMWXDPHWBMXBE-QZTJIDSGSA-N	0	0	372.469	2.943	10	30		FFEERN
CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1	ZINC000328988073	511962575	/nfs/dbraw/zinc/96/25/75/511962575.db2.gz	USLCNYDDUIYSDP-ADAWSYLGSA-N	0	0	365.499	2.992	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	ZINC000329001760	511965917	/nfs/dbraw/zinc/96/59/17/511965917.db2.gz	HRDRTVQKTOKOQE-SMLCLMEVSA-N	0	0	374.485	2.584	10	30		FFEERN
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC3C4CC5CC(C4)CC3C5)CC[C@@H]21	ZINC000329007914	511966743	/nfs/dbraw/zinc/96/67/43/511966743.db2.gz	ZNAGFQVKCPVETR-LXWWYSJOSA-N	0	0	360.502	2.806	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CCCC(F)(F)C2)CCC[N@@H+]1C	ZINC000329062788	511975618	/nfs/dbraw/zinc/97/56/18/511975618.db2.gz	OAMZPHRHEYMJNY-SQWLQELKSA-N	0	0	369.460	2.885	10	30		FFEERN
O=C(NC[C@H]1CCOc2ccccc21)N[C@H]1CCO[C@@H]1c1cccnc1	ZINC000329113198	511986090	/nfs/dbraw/zinc/98/60/90/511986090.db2.gz	HICILMXQKFOJLE-DKSSEZFCSA-N	0	0	353.422	2.982	10	30		FFEERN
CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C1	ZINC000329121583	511987370	/nfs/dbraw/zinc/98/73/70/511987370.db2.gz	QPXKTOFYQYOJLV-SPYBWZPUSA-N	0	0	367.490	2.706	10	30		FFEERN
Cc1cnn(C[C@@H]2CN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CCO2)c1	ZINC000329190059	512000777	/nfs/dbraw/zinc/00/07/77/512000777.db2.gz	RTNHEMQAFSEIGG-TWJKGYNYSA-N	0	0	372.513	2.818	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CCS[C@H](C)[C@H]2C)on1	ZINC000329247405	512013003	/nfs/dbraw/zinc/01/30/03/512013003.db2.gz	RUAUNCGIZPZORH-KBXIAJHMSA-N	0	0	370.494	2.635	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CCSCC[C@H]2C)on1	ZINC000329258598	512015285	/nfs/dbraw/zinc/01/52/85/512015285.db2.gz	YLHWHCGREHSBGC-ILXRZTDVSA-N	0	0	370.494	2.637	10	30		FFEERN
Cn1cc2c(n1)CCC[C@H]2C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1	ZINC000329261580	512016310	/nfs/dbraw/zinc/01/63/10/512016310.db2.gz	FVPHZAKTAHDDLJ-IOASZLSFSA-N	0	0	371.441	2.977	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@H](C(C)(C)C)C2)CC(=O)N1C1CC1	ZINC000329406327	512041069	/nfs/dbraw/zinc/04/10/69/512041069.db2.gz	AWLTZYJUBZOPFY-JCKWVBRZSA-N	0	0	373.501	2.507	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000329547906	512067369	/nfs/dbraw/zinc/06/73/69/512067369.db2.gz	OSYSPMJDBFGMDF-HLLBOEOZSA-N	0	0	359.474	2.623	10	30		FFEERN
Cc1ccc(N2CCC[C@@H](NC(=O)Cc3ccc4c(c3)OCCO4)C2)nn1	ZINC000329633094	512079477	/nfs/dbraw/zinc/07/94/77/512079477.db2.gz	WZXDNPHLAHKQPF-MRXNPFEDSA-N	0	0	368.437	2.724	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCCc4occc43)C2)nn1	ZINC000329662706	512083501	/nfs/dbraw/zinc/08/35/01/512083501.db2.gz	JFMPRYKOSNHBDH-HOCLYGCPSA-N	0	0	355.442	2.928	10	30		FFEERN
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC[C@](CO)(c2ccccc2)C1	ZINC000329814613	512100333	/nfs/dbraw/zinc/10/03/33/512100333.db2.gz	NPDCDILVTVBQSE-APWZRJJASA-N	0	0	357.454	2.578	10	30		FFEERN
CC(=O)N1C[C@H](CCC(=O)NC[C@@H](C)N2CCOCC2)c2ccccc21	ZINC000329850284	512103850	/nfs/dbraw/zinc/10/38/50/512103850.db2.gz	ZQJCEPXPBWWTBN-WBVHZDCISA-N	0	0	359.470	2.594	10	30		FFEERN
O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000329871285	512104958	/nfs/dbraw/zinc/10/49/58/512104958.db2.gz	CIBXSFOHRFZMPU-CXAGYDPISA-N	0	0	350.426	2.894	10	30		FFEERN
N#CC1(CS(=O)(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)CCCCC1	ZINC000408025685	512986403	/nfs/dbraw/zinc/98/64/03/512986403.db2.gz	AYCPBBSNTSZHSA-SJORKVTESA-N	0	0	366.458	2.737	10	30		FFEERN
C[C@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H]1O	ZINC000408088059	512997119	/nfs/dbraw/zinc/99/71/19/512997119.db2.gz	DECNBZITKBHCAM-KUQKPQIMSA-N	0	0	357.454	2.661	10	30		FFEERN
CO[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[C@@H]1C	ZINC000408258651	513033008	/nfs/dbraw/zinc/03/30/08/513033008.db2.gz	ZIKOBUQBWVNXQT-URLQWDBASA-N	0	0	374.460	2.733	10	30		FFEERN
N#Cc1c(C#N)c(N2CC(NC(=O)C3CCC3)C2)nc2c1CCCCCC2	ZINC000408330207	513045560	/nfs/dbraw/zinc/04/55/60/513045560.db2.gz	LNDVVMAHOWVMHU-UHFFFAOYSA-N	0	0	363.465	2.589	10	30		FFEERN
CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2ccc(C#N)cc2F)C1	ZINC000548337701	516912590	/nfs/dbraw/zinc/91/25/90/516912590.db2.gz	RCGHVCPHLSFEII-GOSISDBHSA-N	0	0	358.442	2.700	10	30		FFEERN
CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cc(F)ccc2C#N)C1	ZINC000548337593	516912621	/nfs/dbraw/zinc/91/26/21/516912621.db2.gz	GMYKLWIRDDOBSE-SFHVURJKSA-N	0	0	358.442	2.700	10	30		FFEERN
CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cc(F)ccc2C#N)C1	ZINC000548337592	516912667	/nfs/dbraw/zinc/91/26/67/516912667.db2.gz	GMYKLWIRDDOBSE-GOSISDBHSA-N	0	0	358.442	2.700	10	30		FFEERN
COC(=O)Cc1ccc(C(F)F)c(C#N)c1I	ZINC000575389227	518208868	/nfs/dbraw/zinc/20/88/68/518208868.db2.gz	HDPLIJMUATVXDV-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)Cc1cc(I)c(C(F)F)cc1C#N	ZINC000575389272	518208932	/nfs/dbraw/zinc/20/89/32/518208932.db2.gz	JEKNCEKUTZKASJ-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)Cc1cc(I)c(C(F)(F)F)c(C#N)c1	ZINC000575392966	518210127	/nfs/dbraw/zinc/21/01/27/518210127.db2.gz	RUHKVTADYDLRPW-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
C#CCN(CCCOc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000104093281	728500347	/nfs/dbraw/zinc/50/03/47/728500347.db2.gz	CZYIJNVPQWBHGR-GOSISDBHSA-N	0	0	363.523	2.875	10	30		FFEERN
C#CCN(C(=O)CSc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1	ZINC000104306702	728501450	/nfs/dbraw/zinc/50/14/50/728501450.db2.gz	FXDFIDKCTPSGKX-QGZVFWFLSA-N	0	0	373.499	2.581	10	30		FFEERN
C#CC[C@H](OC(=O)c1ccc(-n2cnnn2)cc1Cl)c1ccccn1	ZINC000105549989	728506507	/nfs/dbraw/zinc/50/65/07/728506507.db2.gz	VFBLTKMBUODKKH-INIZCTEOSA-N	0	0	353.769	2.632	10	30		FFEERN
C#CCSCCNC(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000127982904	728707783	/nfs/dbraw/zinc/70/77/83/728707783.db2.gz	BZZITIHXUMYKGO-HUUCEWRRSA-N	0	0	372.412	2.889	10	30		FFEERN
C#CCCCCNC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000163053157	728952557	/nfs/dbraw/zinc/95/25/57/728952557.db2.gz	XVRBWFCVPLTSRW-JTQLQIEISA-N	0	0	367.232	2.898	10	30		FFEERN
COC(=O)[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000245402421	729569354	/nfs/dbraw/zinc/56/93/54/729569354.db2.gz	IBFMMPZYWDAMMS-MCIONIFRSA-N	0	0	351.387	2.667	10	30		FFEERN
C[C@@H](O)CN1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)CC1	ZINC000328982338	729796032	/nfs/dbraw/zinc/79/60/32/729796032.db2.gz	SBJGWCCZUDGYBY-CYBMUJFWSA-N	0	0	352.504	2.735	10	30		FFEERN
Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)o1	ZINC000329299383	729797014	/nfs/dbraw/zinc/79/70/14/729797014.db2.gz	VBQXOKHFASNNCE-XUWVNRHRSA-N	0	0	350.463	2.532	10	30		FFEERN
N#CCN1CCC(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1	ZINC000329557769	729798013	/nfs/dbraw/zinc/79/80/13/729798013.db2.gz	CAHPREUIXLPWEV-HNNXBMFYSA-N	0	0	360.483	2.545	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1	ZINC000329631335	729798316	/nfs/dbraw/zinc/79/83/16/729798316.db2.gz	WLQXPYLFZKVBQE-SVGFKBNWSA-N	0	0	351.468	2.852	10	30		FFEERN
Cc1ccc(N2CCC[C@@H](NC(=O)N3CCc4sccc4C3)C2)nn1	ZINC000329659627	729798545	/nfs/dbraw/zinc/79/85/45/729798545.db2.gz	HWGSOWIGVKNQQT-OAHLLOKOSA-N	0	0	357.483	2.788	10	30		FFEERN
COc1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)cc1-n1nnnc1C1CC1	ZINC000330225828	971290958	/nfs/dbraw/zinc/29/09/58/971290958.db2.gz	BHLKYETXGICWAQ-IUODEOHRSA-N	0	0	368.441	2.968	10	30		FFEERN
C[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000328711378	962539215	/nfs/dbraw/zinc/53/92/15/962539215.db2.gz	RIMCBHYNZGSCQI-FMKPAKJESA-N	0	0	374.437	2.725	10	30		FFEERN
C#CCOc1cccc(NC(=O)N2CCC(C(=O)N(CC)CC)CC2)c1	ZINC000108519077	965691483	/nfs/dbraw/zinc/69/14/83/965691483.db2.gz	QITJKMYXIDTBEF-UHFFFAOYSA-N	0	0	357.454	2.811	10	30		FFEERN
CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000329422102	967690524	/nfs/dbraw/zinc/69/05/24/967690524.db2.gz	DXIDQRWXOKAINY-CZUORRHYSA-N	0	0	361.490	2.706	10	30		FFEERN
Cc1nc([C@@H]2CCCN(C(=O)NCc3nnc4n3CCCC4)C2)sc1C	ZINC000329676783	967934893	/nfs/dbraw/zinc/93/48/93/967934893.db2.gz	UXWKIFVSGNQPCL-CQSZACIVSA-N	0	0	374.514	2.981	10	30		FFEERN
CC(C)n1nnnc1-c1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1F	ZINC000329732408	967982625	/nfs/dbraw/zinc/98/26/25/967982625.db2.gz	IUNXXMMJAMXMON-XHDPSFHLSA-N	0	0	357.393	2.887	10	30		FFEERN
COCCn1nc(C)c(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)c1C	ZINC000588599196	968070496	/nfs/dbraw/zinc/07/04/96/968070496.db2.gz	RPXFZLYBZYIUGY-VURMDHGXSA-N	0	0	371.462	2.956	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1	ZINC000332841808	977674282	/nfs/dbraw/zinc/67/42/82/977674282.db2.gz	LGFDVNLOTWQHSP-XHSDSOJGSA-N	0	0	373.457	2.892	10	30		FFEERN
C#CCOc1ccc(NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)cc1	ZINC000108290838	978440045	/nfs/dbraw/zinc/44/00/45/978440045.db2.gz	PLPKYQKQIBPWAU-MRXNPFEDSA-N	0	0	370.355	2.968	10	30		FFEERN
CCOCCCNC(=O)[C@H](C#N)C(=O)Cc1c[nH]c2c1cccc2CC	ZINC000109413061	1005826448	/nfs/dbraw/zinc/82/64/48/1005826448.db2.gz	FUWDQQGTJGXOED-QGZVFWFLSA-N	0	0	355.438	2.524	10	30		FFEERN
C=C[C@H]1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC	ZINC000014710237	210145862	/nfs/dbraw/zinc/14/58/62/210145862.db2.gz	JGKCGXVOATXMRM-UHEFJODHSA-N	0	0	354.450	2.671	10	30	biogenic	FFEERN
Cc1c(C(=O)Oc2ccc(C)cc2)oc2c1/C(=N/NC(N)=S)CCC2	ZINC000040824647	211761718	/nfs/dbraw/zinc/76/17/18/211761718.db2.gz	BELVIFRNQZYGES-DEDYPNTBSA-N	0	0	357.435	2.989	10	30		FFEERN
O=S(=O)(c1ccc(Br)cc1Cl)N1CCC(=NO)CC1	ZINC000034955873	211628039	/nfs/dbraw/zinc/62/80/39/211628039.db2.gz	ZCXCNAXDGLTDQQ-UHFFFAOYSA-N	0	0	367.652	2.717	10	30		FFEERN
N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(Cn2cccn2)CC1	ZINC000106184155	250251243	/nfs/dbraw/zinc/25/12/43/250251243.db2.gz	IUKHSXVGCRULEQ-UHFFFAOYSA-N	0	0	357.845	2.759	10	30		FFEERN
Cc1oc(NC(=O)[C@@H](C)N2CCC(Cn3cccn3)CC2)c(C#N)c1C	ZINC000106183728	250251846	/nfs/dbraw/zinc/25/18/46/250251846.db2.gz	OEFQOLOWYFEMPX-CQSZACIVSA-N	0	0	355.442	2.704	10	30		FFEERN
COC(=O)/N=C/c1c(NCc2ccccc2)nc2c(C)cccn2c1=O	ZINC000013685615	211049230	/nfs/dbraw/zinc/04/92/30/211049230.db2.gz	WIFXGNNGEACWED-CIAFOILYSA-N	0	0	350.378	2.800	10	30		FFEERN
Cc1cccc(NC(=O)C(=O)N[C@@H](C)COCc2ccccc2)c1C#N	ZINC000173534679	251200808	/nfs/dbraw/zinc/20/08/08/251200808.db2.gz	YGKCSAAFVBNQFL-HNNXBMFYSA-N	0	0	351.406	2.527	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)NC2CCN(c3ccccn3)CC2)c1	ZINC000175584704	251232324	/nfs/dbraw/zinc/23/23/24/251232324.db2.gz	WFPQQYIIZVEIME-UHFFFAOYSA-N	0	0	353.401	2.561	10	30		FFEERN
O=c1[nH]c(CS)nc2c(Br)cc(Br)cc12	ZINC000019803967	220299480	/nfs/dbraw/zinc/29/94/80/220299480.db2.gz	BJFDOKJNAZCNBI-UHFFFAOYSA-N	0	0	350.035	2.878	10	30		FFEERN
C[C@@H]1CN([C@H](CNc2nccnc2C#N)c2c(F)cccc2F)C[C@H](C)O1	ZINC000301269947	258038896	/nfs/dbraw/zinc/03/88/96/258038896.db2.gz	HIWRPRNIIXNRJU-IIYDPXPESA-N	0	0	373.407	2.889	10	30		FFEERN
CCCCCS(=O)(=O)N1CCN(c2c(Cl)cccc2C#N)CC1	ZINC000301398355	258047101	/nfs/dbraw/zinc/04/71/01/258047101.db2.gz	OLRRZWVYCRSKCB-UHFFFAOYSA-N	0	0	355.891	2.854	10	30		FFEERN
CC[NH+]1CCN(c2cc(CNc3cc(C#N)ccc3C(C)=O)ccn2)CC1	ZINC000302078218	258086847	/nfs/dbraw/zinc/08/68/47/258086847.db2.gz	ATVIUMFLFGPVDG-UHFFFAOYSA-N	0	0	363.465	2.910	10	30		FFEERN
Cc1sc2nc(Sc3ccc([N+](=O)[O-])c(C#N)n3)n(C)c(=O)c2c1C	ZINC000302729061	258109063	/nfs/dbraw/zinc/10/90/63/258109063.db2.gz	PJBVTOBCHJBGGF-UHFFFAOYSA-N	0	0	373.419	2.938	10	30		FFEERN
Cc1c([C@H]2[C@H](Nc3cc(C#N)c4ccccc4n3)CC(=O)N2C)cnn1C	ZINC000330156657	258157117	/nfs/dbraw/zinc/15/71/17/258157117.db2.gz	YVUMCBSGFWYOSN-XLIONFOSSA-N	0	0	360.421	2.532	10	30		FFEERN
CC(C)[C@@H]1N(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@@]12CCCO2	ZINC000329335808	258135616	/nfs/dbraw/zinc/13/56/16/258135616.db2.gz	OTPCEQXRNLNZER-LRQRDZAKSA-N	0	0	371.456	2.940	10	30		FFEERN
N#Cc1cccnc1N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1	ZINC000105288399	132238670	/nfs/dbraw/zinc/23/86/70/132238670.db2.gz	SBTRAMRITIBCLW-UHFFFAOYSA-N	0	0	357.417	2.706	10	30		FFEERN
N#CCN(C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)C1CC1	ZINC000109344275	136151220	/nfs/dbraw/zinc/15/12/20/136151220.db2.gz	MRMVXRZHRPUODJ-GFCCVEGCSA-N	0	0	352.360	2.831	10	30		FFEERN
Cc1c(Cl)cccc1N=Nc1c(-c2ccccc2)[n-]n(C(N)=S)c1=O	ZINC000100108481	222235981	/nfs/dbraw/zinc/23/59/81/222235981.db2.gz	MWJFPFKEKWZSFU-QNGOZBTKSA-N	0	0	371.853	2.906	10	30		FFEERN
CCOC(=O)C(=CNc1cscc1C(=O)OC)C(=O)C(F)(F)F	ZINC000100205934	222238906	/nfs/dbraw/zinc/23/89/06/222238906.db2.gz	SEWQMJDCZYVSDG-QPJJXVBHSA-N	0	0	351.302	2.525	10	30		FFEERN
COc1cccc(/C=N\c2ccc(S(=O)(=O)N3CCCC3)cc2)c1O	ZINC000004599065	506384290	/nfs/dbraw/zinc/38/42/90/506384290.db2.gz	PQJXEAFWFNALNE-UYRXBGFRSA-N	0	0	360.435	2.936	10	30		FFEERN
N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)cc1	ZINC000054552028	506576376	/nfs/dbraw/zinc/57/63/76/506576376.db2.gz	KKNQOEZAEQREMF-QGZVFWFLSA-N	0	0	365.437	2.619	10	30		FFEERN
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000045278984	506942659	/nfs/dbraw/zinc/94/26/59/506942659.db2.gz	WLVJDJGVDWHTSG-QGZVFWFLSA-N	0	0	369.446	2.618	10	30		FFEERN
CCN(C[C@@H](C)C#N)C(=O)C1CCC(C(=O)N(CC)C[C@@H](C)C#N)CC1	ZINC000056410146	507008288	/nfs/dbraw/zinc/00/82/88/507008288.db2.gz	MRMICUSYSGMKQR-VYMRPNJYSA-N	0	0	360.502	2.809	10	30		FFEERN
C=CCN(CC1CCCCC1)C(=O)NCc1cccnc1-n1cncn1	ZINC000070060221	507606866	/nfs/dbraw/zinc/60/68/66/507606866.db2.gz	MUYJGZXDULYZLA-UHFFFAOYSA-N	0	0	354.458	2.940	10	30		FFEERN
COC(=O)[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000027560845	507663913	/nfs/dbraw/zinc/66/39/13/507663913.db2.gz	NDSMVQJNELUKKX-LBPRGKRZSA-N	0	0	355.778	2.864	10	30		FFEERN
C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1C(=O)N(C)C	ZINC000108357445	507889207	/nfs/dbraw/zinc/88/92/07/507889207.db2.gz	XOXVBODOKSSOHG-GDBMZVCRSA-N	0	0	374.510	2.572	10	30		FFEERN
N#C[C@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)C1CC1	ZINC000108828829	507920788	/nfs/dbraw/zinc/92/07/88/507920788.db2.gz	SKMLGNHIVFBZBF-SFHVURJKSA-N	0	0	354.431	2.692	10	30		FFEERN
N#C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C1CC1	ZINC000108840727	507921467	/nfs/dbraw/zinc/92/14/67/507921467.db2.gz	IWNMVEZCPYMIOF-GOSISDBHSA-N	0	0	359.385	2.515	10	30		FFEERN
Cc1nnc(SCC(=O)N[C@@H](C#N)C2CC2)n1-c1cc(C)ccc1C	ZINC000108843458	507922108	/nfs/dbraw/zinc/92/21/08/507922108.db2.gz	GFEBFLFJVLWOPM-HNNXBMFYSA-N	0	0	355.467	2.703	10	30		FFEERN
CC(C)(C)NC(=O)CON=C(N)c1ccc(Oc2ccc(F)cc2)nc1	ZINC000109392364	507959884	/nfs/dbraw/zinc/95/98/84/507959884.db2.gz	MPSAKTVMCPALTG-UHFFFAOYSA-N	0	0	360.389	2.565	10	30		FFEERN
Cc1cnn([C@H]2CCCN(C(=O)CCc3c(C)nn(CCC#N)c3C)C2)c1	ZINC000109684352	507981080	/nfs/dbraw/zinc/98/10/80/507981080.db2.gz	GYAFOCUCJCTKGS-SFHVURJKSA-N	0	0	368.485	2.715	10	30		FFEERN
Cc1nn(C)c(C)c1CCNC(=O)CCCCOc1cccc(C#N)c1	ZINC000110210160	508013412	/nfs/dbraw/zinc/01/34/12/508013412.db2.gz	RWJYWXJKTMDBPA-UHFFFAOYSA-N	0	0	354.454	2.817	10	30		FFEERN
CC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc(OCC#N)cc1	ZINC000110212635	508014010	/nfs/dbraw/zinc/01/40/10/508014010.db2.gz	LFRSSCYLXRASAX-UHFFFAOYSA-N	0	0	351.406	2.908	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1	ZINC000112035385	508145752	/nfs/dbraw/zinc/14/57/52/508145752.db2.gz	RNDXWQPLNDFBHQ-OAHLLOKOSA-N	0	0	370.453	2.716	10	30		FFEERN
COc1c(C)cc(CN(C)C(=O)C(=O)Nc2ccc(C#N)cc2)cc1C	ZINC000102104932	508267762	/nfs/dbraw/zinc/26/77/62/508267762.db2.gz	XWZXRCRKVIZTGX-UHFFFAOYSA-N	0	0	351.406	2.781	10	30		FFEERN
N#Cc1cc(S(=O)(=O)NCCCCOCc2ccccc2)ccc1F	ZINC000103158691	508299651	/nfs/dbraw/zinc/29/96/51/508299651.db2.gz	CSLYNWNISUSNAK-UHFFFAOYSA-N	0	0	362.426	2.973	10	30		FFEERN
COc1ccccc1CCN(C)C(=O)COc1ccc(C#N)cc1OC	ZINC000104457920	508335598	/nfs/dbraw/zinc/33/55/98/508335598.db2.gz	QRDQAPFOQDMESV-UHFFFAOYSA-N	0	0	354.406	2.655	10	30		FFEERN
CN(C(=O)CSc1ccc(C#N)cc1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000122103569	508481196	/nfs/dbraw/zinc/48/11/96/508481196.db2.gz	VRGFUWJSONCAEL-MRXNPFEDSA-N	0	0	367.478	2.568	10	30		FFEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	ZINC000175880917	509195622	/nfs/dbraw/zinc/19/56/22/509195622.db2.gz	XLCDKZUUJZPIJH-QGZVFWFLSA-N	0	0	352.442	2.913	10	30		FFEERN
CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@@H]2C	ZINC000188705754	509223680	/nfs/dbraw/zinc/22/36/80/509223680.db2.gz	LUDNIDRTKKIMDE-RZIFZGNASA-N	0	0	365.437	2.920	10	30		FFEERN
N#CCSc1cccc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1	ZINC000164300290	509486460	/nfs/dbraw/zinc/48/64/60/509486460.db2.gz	RWTYXJDQGYVDMM-QAPCUYQASA-N	0	0	369.490	2.918	10	30		FFEERN
CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1ccc(C#N)cc1	ZINC000176524447	509561676	/nfs/dbraw/zinc/56/16/76/509561676.db2.gz	GAKHTPWHYINRGO-KRWDZBQOSA-N	0	0	355.463	2.765	10	30		FFEERN
CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1sccc1C#N	ZINC000176538200	509570173	/nfs/dbraw/zinc/57/01/73/509570173.db2.gz	FPDUHLKXXIALJQ-CQSZACIVSA-N	0	0	361.492	2.827	10	30		FFEERN
C[C@@H]1CN([C@H](CNC(=O)c2ccc(C#N)c(O)c2)c2cccs2)CCO1	ZINC000249088337	509599954	/nfs/dbraw/zinc/59/99/54/509599954.db2.gz	MXYFKLYOXPWRJF-CZUORRHYSA-N	0	0	371.462	2.517	10	30		FFEERN
C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)c1	ZINC000176600396	509603896	/nfs/dbraw/zinc/60/38/96/509603896.db2.gz	QPSQUXJHWUWWRD-MRXNPFEDSA-N	0	0	374.400	2.570	10	30		FFEERN
C[C@@H]1CN([C@@H](CNC(=O)Cc2ccc(C#N)cc2)c2cccs2)CCO1	ZINC000176601805	509605899	/nfs/dbraw/zinc/60/58/99/509605899.db2.gz	SJXKDUUUOOWXNX-QAPCUYQASA-N	0	0	369.490	2.740	10	30		FFEERN
N#CCSc1cccc(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)c1	ZINC000183126980	509615759	/nfs/dbraw/zinc/61/57/59/509615759.db2.gz	JZZINUJVKOAWGM-KRWDZBQOSA-N	0	0	366.446	2.623	10	30		FFEERN
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1	ZINC000173596854	509666374	/nfs/dbraw/zinc/66/63/74/509666374.db2.gz	WLUACVOLYQHNJI-CQSZACIVSA-N	0	0	370.409	2.816	10	30		FFEERN
CCO[C@H]1C[C@@H](Nc2cc(C#N)ccc2OCCOC)C12CCOCC2	ZINC000186502296	509743356	/nfs/dbraw/zinc/74/33/56/509743356.db2.gz	RZCFUHVPOLKKFW-MOPGFXCFSA-N	0	0	360.454	2.970	10	30		FFEERN
COc1cccc2c1CCN(C(=O)Cc1ccc(OCC#N)cc1)CC2	ZINC000193232798	509828380	/nfs/dbraw/zinc/82/83/80/509828380.db2.gz	MABTUCLZIJVTRJ-UHFFFAOYSA-N	0	0	350.418	2.767	10	30		FFEERN
CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2C#N)C1	ZINC000177094852	509867656	/nfs/dbraw/zinc/86/76/56/509867656.db2.gz	PMHBJPWCCSAYNJ-CQSZACIVSA-N	0	0	372.498	2.666	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(CC(=O)Nc3sc(C)c(C)c3C#N)C2)no1	ZINC000177093464	509868690	/nfs/dbraw/zinc/86/86/90/509868690.db2.gz	GHLFVEKTDZQTPI-AWEZNQCLSA-N	0	0	373.482	2.821	10	30		FFEERN
COc1ccc(C=NOCC(=O)Nc2nc3ccccc3s2)cc1OC	ZINC000254835738	509910429	/nfs/dbraw/zinc/91/04/29/509910429.db2.gz	LJVKFLCDKFMANZ-UHFFFAOYSA-N	0	0	371.418	2.725	10	30		FFEERN
CCOCCN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1CC	ZINC000180419957	509916435	/nfs/dbraw/zinc/91/64/35/509916435.db2.gz	MGNSYYTUDBPGQL-IBGZPJMESA-N	0	0	355.482	2.815	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1C[C@H](OC)C[C@@H]1c1nc(C)no1	ZINC000190131337	509956721	/nfs/dbraw/zinc/95/67/21/509956721.db2.gz	RRAIPKZDCCAFOK-UKRRQHHQSA-N	0	0	374.372	2.523	10	30		FFEERN
Cc1oc(NC(=O)[C@@H](C)N2CCCN(c3ccccn3)CC2)c(C#N)c1C	ZINC000183825546	509994566	/nfs/dbraw/zinc/99/45/66/509994566.db2.gz	ZCVJYMDXEMNQQA-OAHLLOKOSA-N	0	0	367.453	2.702	10	30		FFEERN
CC[C@H](CC#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1	ZINC000183918870	510038957	/nfs/dbraw/zinc/03/89/57/510038957.db2.gz	ITQTYQMUZJKUSJ-CVEARBPZSA-N	0	0	355.463	2.898	10	30		FFEERN
CNC(=O)c1ccc(/C=C/C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1	ZINC000183947246	510050908	/nfs/dbraw/zinc/05/09/08/510050908.db2.gz	YMKCFVSWMGVXMN-NJTIBFSMSA-N	0	0	359.429	2.627	10	30		FFEERN
COc1ncnc2c1CN(Cc1cccn1Cc1ccccc1C#N)CC2	ZINC000187114558	510064528	/nfs/dbraw/zinc/06/45/28/510064528.db2.gz	IZXPCUMDZVBXTO-UHFFFAOYSA-N	0	0	359.433	2.765	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000181538868	510461372	/nfs/dbraw/zinc/46/13/72/510461372.db2.gz	NMVJYPNIGNEIHT-CQSZACIVSA-N	0	0	368.441	2.808	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCc1ccc(OCC#N)cc1	ZINC000172074697	510530672	/nfs/dbraw/zinc/53/06/72/510530672.db2.gz	DVFZGSLGEZIUAJ-GOSISDBHSA-N	0	0	367.453	2.986	10	30		FFEERN
Cn1cc([C@H]2CCN(C(=O)NCCSCc3ccccc3C#N)C2)cn1	ZINC000172111939	510548776	/nfs/dbraw/zinc/54/87/76/510548776.db2.gz	BDEXPNSDPXBYFL-INIZCTEOSA-N	0	0	369.494	2.724	10	30		FFEERN
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccco1	ZINC000181805330	510603479	/nfs/dbraw/zinc/60/34/79/510603479.db2.gz	ZAOIARXTZLQSRD-DZGCQCFKSA-N	0	0	353.378	2.873	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H]1c1noc(C(C)C)n1	ZINC000188138667	510613793	/nfs/dbraw/zinc/61/37/93/510613793.db2.gz	BQGCHCGWYIACJY-OAHLLOKOSA-N	0	0	367.409	2.675	10	30		FFEERN
C=CCCO[C@H](C)C(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1	ZINC000246700248	510623727	/nfs/dbraw/zinc/62/37/27/510623727.db2.gz	FDFMFXAVFOLOCZ-ARFHVFGLSA-N	0	0	352.500	2.607	10	30		FFEERN
CC[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1C)c1cccc([N+](=O)[O-])c1	ZINC000178519314	510643108	/nfs/dbraw/zinc/64/31/08/510643108.db2.gz	SNGJWQFQAWCWAG-INIZCTEOSA-N	0	0	366.377	2.981	10	30		FFEERN
CCn1cc(CN2CCCN(C(=O)Nc3cccc(C#N)c3C)CC2)cn1	ZINC000178573228	510670071	/nfs/dbraw/zinc/67/00/71/510670071.db2.gz	RVZOCPURGSGRBT-UHFFFAOYSA-N	0	0	366.469	2.823	10	30		FFEERN
C=C(C)COc1cc(CN2CCOC[C@@H]2c2nc(C)no2)ccc1OC	ZINC000188480504	510788292	/nfs/dbraw/zinc/78/82/92/510788292.db2.gz	CMVKYRHJBHOQCS-MRXNPFEDSA-N	0	0	359.426	2.915	10	30		FFEERN
CCn1cc([C@H]2CN(Cc3ccc(N(C)CCC#N)cc3)CCO2)cn1	ZINC000191708155	510795066	/nfs/dbraw/zinc/79/50/66/510795066.db2.gz	GXTVIDOMBAWOGR-HXUWFJFHSA-N	0	0	353.470	2.826	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cnc3c(c2)CCCC3)C1	ZINC000330194834	510935304	/nfs/dbraw/zinc/93/53/04/510935304.db2.gz	BHXRMPQIAJXJHR-GOEBONIOSA-N	0	0	357.414	2.659	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCC2(CCCCC2)O1	ZINC000330226604	510941524	/nfs/dbraw/zinc/94/15/24/510941524.db2.gz	UOKYNVFFYQGCGW-BZUAXINKSA-N	0	0	372.531	2.728	10	30		FFEERN
O=C(N[C@@H]1CCn2ccnc2C1)N1CCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000330236716	510943617	/nfs/dbraw/zinc/94/36/17/510943617.db2.gz	AIJIKRXMWKGCTP-CZUORRHYSA-N	0	0	350.426	2.825	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCOC2(C1)CCCCCC2	ZINC000330273390	510953501	/nfs/dbraw/zinc/95/35/01/510953501.db2.gz	ZDZLNMLNOMEVAB-HZPDHXFCSA-N	0	0	372.531	2.681	10	30		FFEERN
N#Cc1c(I)cc(F)cc1I	ZINC000306672748	511764654	/nfs/dbraw/zinc/76/46/54/511764654.db2.gz	BIWSDJJDJWLWBA-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
CC(=O)N[C@]1(c2noc(C)n2)CCN(c2nnc(C(C)(C)C)s2)C1	ZINC000328610697	511893613	/nfs/dbraw/zinc/89/36/13/511893613.db2.gz	IWXGZLRRYNDDGP-OAHLLOKOSA-N	0	0	350.448	2.609	10	30		FFEERN
CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(C(=O)NCC2CCCC2)CC1	ZINC000328623196	511896008	/nfs/dbraw/zinc/89/60/08/511896008.db2.gz	BSAQCFKNCPFCSC-LJQANCHMSA-N	0	0	373.501	2.784	10	30		FFEERN
CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1ccc(C#N)cn1	ZINC000328631192	511902019	/nfs/dbraw/zinc/90/20/19/511902019.db2.gz	QPEPSVWDBKOEPL-GFCCVEGCSA-N	0	0	363.343	2.503	10	30		FFEERN
CN(C)c1ccc(N[C@@H]2CCCN(C(=O)NC[C@@H]3CCCO3)CC2)cn1	ZINC000328647166	511905898	/nfs/dbraw/zinc/90/58/98/511905898.db2.gz	TULVQEMYQLCMJQ-WBVHZDCISA-N	0	0	361.490	2.507	10	30		FFEERN
CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)Nc2ccsc2)CC1	ZINC000328655604	511909975	/nfs/dbraw/zinc/90/99/75/511909975.db2.gz	YNOGSEDNBFYLDD-OAHLLOKOSA-N	0	0	371.528	2.962	10	30		FFEERN
C[C@H](C(=O)N1CCCCCC1)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000328689281	511915456	/nfs/dbraw/zinc/91/54/56/511915456.db2.gz	QHRSAOFMZQIKEF-WHSLLNHNSA-N	0	0	366.465	2.772	10	30		FFEERN
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCn3cc(C)nc32)C1	ZINC000328702677	511917442	/nfs/dbraw/zinc/91/74/42/511917442.db2.gz	JQXJUNYKRJRPRW-ARXQOQFISA-N	0	0	366.531	2.652	10	30		FFEERN
O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)NC1C2CC3CC(C2)CC1C3	ZINC000328725035	511921881	/nfs/dbraw/zinc/92/18/81/511921881.db2.gz	YXFINUNAHRGKFN-BSUQMDFHSA-N	0	0	362.514	2.882	10	30		FFEERN
CC1(C)NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1	ZINC000328733934	511923081	/nfs/dbraw/zinc/92/30/81/511923081.db2.gz	IDUHEYWRODUBGJ-CABCVRRESA-N	0	0	364.490	2.569	10	30		FFEERN
CN1C(=O)C[C@@H](CNC(=O)N[C@@H]2CCC(=O)NC2(C)C)[C@@H]1c1ccccc1	ZINC000328754569	511927136	/nfs/dbraw/zinc/92/71/36/511927136.db2.gz	SJWDFGLDCFGZGN-DAYGRLMNSA-N	0	0	372.469	2.607	10	30		FFEERN
C[C@@H]1CN(Cc2ccccc2NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)C[C@H](C)O1	ZINC000328850798	511939772	/nfs/dbraw/zinc/93/97/72/511939772.db2.gz	UTKSNKAQCDKRNF-HRYATBACSA-N	0	0	373.497	2.998	10	30		FFEERN
C[C@H](c1cccnc1)N1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1	ZINC000328876402	511943129	/nfs/dbraw/zinc/94/31/29/511943129.db2.gz	KDTMPIXCNZTENG-LSBZLQRGSA-N	0	0	371.485	2.572	10	30		FFEERN
Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O	ZINC000328927713	511950997	/nfs/dbraw/zinc/95/09/97/511950997.db2.gz	GBFSPWPCGDKFQE-MWLCHTKSSA-N	0	0	356.304	2.905	10	30		FFEERN
C[C@@H]1CC[C@H](C(=O)Nc2n[nH]c3ccc(NC(=O)[C@@H]4CC[C@H](C)O4)cc32)O1	ZINC000328943808	511954745	/nfs/dbraw/zinc/95/47/45/511954745.db2.gz	ANNBPJIGHVSFSI-KTQGLZRJSA-N	0	0	372.425	2.646	10	30		FFEERN
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1	ZINC000328970575	511958245	/nfs/dbraw/zinc/95/82/45/511958245.db2.gz	UVMWXDPHWBMXBE-ZWKOTPCHSA-N	0	0	372.469	2.943	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC(=O)N1C	ZINC000329061427	511975642	/nfs/dbraw/zinc/97/56/42/511975642.db2.gz	UVJJGSQOHJIVOR-FXZJEQNSSA-N	0	0	373.501	2.554	10	30		FFEERN
CNC(=O)[C@H]1CN(C(=O)c2coc(C3CCCC3)n2)C[C@@H]1c1cnn(C)c1	ZINC000329160234	511996247	/nfs/dbraw/zinc/99/62/47/511996247.db2.gz	DRFKFTNCODJGNM-CABCVRRESA-N	0	0	371.441	2.508	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(CC(=O)NC[C@H]3COc4ccccc4O3)C2)c1	ZINC000329194873	512003002	/nfs/dbraw/zinc/00/30/02/512003002.db2.gz	UYDUIYXIXMHDSN-SJORKVTESA-N	0	0	370.453	2.625	10	30		FFEERN
C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccccc1-n1cccn1	ZINC000329306229	512024114	/nfs/dbraw/zinc/02/41/14/512024114.db2.gz	BCEKLJNEEXMPIM-YSVLISHTSA-N	0	0	353.426	2.898	10	30		FFEERN
C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1cccc(-n2cccn2)c1	ZINC000329354631	512031976	/nfs/dbraw/zinc/03/19/76/512031976.db2.gz	YNBJHVDZAVQOLB-IAOVAPTHSA-N	0	0	353.426	2.898	10	30		FFEERN
C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1	ZINC000329388812	512038464	/nfs/dbraw/zinc/03/84/64/512038464.db2.gz	RMFONQCJBZBCMZ-BZZMCLGOSA-N	0	0	355.442	2.605	10	30		FFEERN
CC(C)c1nnc2n1CCN(C([O-])=[NH+]C[C@H]1CCOc3ccccc31)C2	ZINC000329424724	512045072	/nfs/dbraw/zinc/04/50/72/512045072.db2.gz	GLVOLVGCUYZMET-CQSZACIVSA-N	0	0	355.442	2.697	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCn3cccc3[C@H]1C)CCC2	ZINC000329514566	512062385	/nfs/dbraw/zinc/06/23/85/512062385.db2.gz	LXIFGKNGEUTJBS-GDBMZVCRSA-N	0	0	357.458	2.699	10	30		FFEERN
O=C(N[C@H]1c2ccccc2CC12CCOCC2)N1CCc2cncnc2C1	ZINC000329629652	512079548	/nfs/dbraw/zinc/07/95/48/512079548.db2.gz	VDEKTRXWPBLSBC-IBGZPJMESA-N	0	0	364.449	2.843	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@H]2CCc3c[nH]nc3C2)cc1	ZINC000329807627	512099764	/nfs/dbraw/zinc/09/97/64/512099764.db2.gz	AIJVUNAAWBOTAS-LNLFQRSKSA-N	0	0	354.454	2.999	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1C)CCC2	ZINC000329872205	512104818	/nfs/dbraw/zinc/10/48/18/512104818.db2.gz	BGLXPZFUFDEABL-ZOBUZTSGSA-N	0	0	357.458	2.845	10	30		FFEERN
N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]4COC[C@H]43)CC2)c(F)c1	ZINC000375873027	512547925	/nfs/dbraw/zinc/54/79/25/512547925.db2.gz	MJJDISHRRCDUAB-QFBILLFUSA-N	0	0	357.429	2.551	10	30		FFEERN
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21	ZINC000407973289	512977721	/nfs/dbraw/zinc/97/77/21/512977721.db2.gz	JGPHWZCKSXQREB-GOEBONIOSA-N	0	0	363.483	2.891	10	30		FFEERN
N#CC1(CS(=O)(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CCCCC1	ZINC000408027828	512986468	/nfs/dbraw/zinc/98/64/68/512986468.db2.gz	MUVPMIPGXMZCTB-DLBZAZTESA-N	0	0	366.458	2.737	10	30		FFEERN
Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1ccc(C#N)c(O)c1)CCCC2	ZINC000408037242	512988133	/nfs/dbraw/zinc/98/81/33/512988133.db2.gz	APTVBDCLVLWTKT-KRWDZBQOSA-N	0	0	350.422	2.853	10	30		FFEERN
Cc1cc(Br)cc2c1N(C(=O)c1cnn(C)c1C#N)CCC2	ZINC000408347848	513049943	/nfs/dbraw/zinc/04/99/43/513049943.db2.gz	BQWOWRKGWQSBPA-UHFFFAOYSA-N	0	0	359.227	2.956	10	30		FFEERN
CC(C)(C)c1nsc(N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)n1	ZINC000408363170	513052645	/nfs/dbraw/zinc/05/26/45/513052645.db2.gz	UXIKRRUORUECNM-ZMZPIMSZSA-N	0	0	353.451	2.685	10	30		FFEERN
CCOC(=O)c1cc(OC(F)F)c(I)cc1C#N	ZINC000575385875	518207798	/nfs/dbraw/zinc/20/77/98/518207798.db2.gz	CDMPCYYXUZSVJG-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
CCOC(=O)c1cc(C#N)cc(OC(F)F)c1I	ZINC000575386350	518208698	/nfs/dbraw/zinc/20/86/98/518208698.db2.gz	QLRQHIDKKZXIJY-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
N#CCc1cc(OC(F)F)cc([N+](=O)[O-])c1I	ZINC000575665375	518245783	/nfs/dbraw/zinc/24/57/83/518245783.db2.gz	CBKMQZKVIOSFSI-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1I	ZINC000611004978	520942129	/nfs/dbraw/zinc/94/21/29/520942129.db2.gz	FFDOYUWJNGSVBW-KCJUWKMLSA-N	0	0	358.154	2.852	10	30		FFEERN
CCCC(=O)NCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	ZINC000105762907	728508699	/nfs/dbraw/zinc/50/86/99/728508699.db2.gz	OAHUOVPUBNVVIB-CQSZACIVSA-N	0	0	357.435	2.911	10	30		FFEERN
C=CCn1c2ccccc2n(CN2CC[C@@H](N3CCOCC3)C2)c1=S	ZINC000172962196	729037325	/nfs/dbraw/zinc/03/73/25/729037325.db2.gz	GXBRTJYHFQNLPU-MRXNPFEDSA-N	0	0	358.511	2.722	10	30		FFEERN
C#C[C@H](C)OC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000174444378	729072083	/nfs/dbraw/zinc/07/20/83/729072083.db2.gz	AUOCKYOUNHPCHC-IINYFYTJSA-N	0	0	352.774	2.568	10	30		FFEERN
CCCCCCCS(=O)(=O)N1CCN(Cc2cnc(C)s2)CC1	ZINC000195241124	729533487	/nfs/dbraw/zinc/53/34/87/729533487.db2.gz	LUQRHESOUQWYBN-UHFFFAOYSA-N	0	0	359.561	2.869	10	30		FFEERN
C=CCn1c(C(=O)N2CCC(O)CC2)cc2oc(Br)cc21	ZINC000223725299	729547162	/nfs/dbraw/zinc/54/71/62/729547162.db2.gz	YVGOXIUOQDNWNH-UHFFFAOYSA-N	0	0	353.216	2.780	10	30		FFEERN
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1OC[C@@H]2COCC[C@@H]12	ZINC000329494223	729797567	/nfs/dbraw/zinc/79/75/67/729797567.db2.gz	FGYKFPUAHMDKIL-SFDCBXKLSA-N	0	0	352.381	2.552	10	30		FFEERN
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000329494220	729797582	/nfs/dbraw/zinc/79/75/82/729797582.db2.gz	FGYKFPUAHMDKIL-PFHKOEEOSA-N	0	0	352.381	2.552	10	30		FFEERN
C[C@@H]1CN(Cc2csc(NC(=O)N[C@@H]3CCC[C@@H]3C#N)n2)C[C@H](C)O1	ZINC000329582188	729798091	/nfs/dbraw/zinc/79/80/91/729798091.db2.gz	AIZRTHUYDDYBEF-QVHKTLOISA-N	0	0	363.487	2.770	10	30		FFEERN
Cc1nc([C@H](C)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cs1	ZINC000329957552	729799569	/nfs/dbraw/zinc/79/95/69/729799569.db2.gz	MAIXLEQLMJNSHX-NWANDNLSSA-N	0	0	363.483	2.910	10	30		FFEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000330199966	971057468	/nfs/dbraw/zinc/05/74/68/971057468.db2.gz	WCKPLDJYPNQYHL-IXDOHACOSA-N	0	0	350.426	2.575	10	30		FFEERN
C=CCNC(=O)[C@@H](C)OC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C	ZINC000007472956	960463836	/nfs/dbraw/zinc/46/38/36/960463836.db2.gz	UHWPWBNRNOTCQH-CYBMUJFWSA-N	0	0	358.442	2.983	10	30		FFEERN
CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1coc(C2CCOCC2)n1	ZINC000328666525	960691155	/nfs/dbraw/zinc/69/11/55/960691155.db2.gz	COYAITFTZWVENP-WMLDXEAASA-N	0	0	374.441	2.867	10	30		FFEERN
Cc1nc(C)n(C2CN(C(=O)[C@H](NC(=O)c3ccccc3C)C(C)C)C2)n1	ZINC000328745222	962904031	/nfs/dbraw/zinc/90/40/31/962904031.db2.gz	AAQITAMNSBOOGD-GOSISDBHSA-N	0	0	369.469	2.616	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CCc3ccccc32)CCC(=O)N1C	ZINC000329191772	967539970	/nfs/dbraw/zinc/53/99/70/967539970.db2.gz	QOLDUJYUIOGNIQ-GPMSIDNRSA-N	0	0	352.438	2.769	10	30		FFEERN
Cc1ccc(N(C)C2CCN(C(=O)CNC(=O)CC3CCCC3)CC2)nn1	ZINC000329227056	967564368	/nfs/dbraw/zinc/56/43/68/967564368.db2.gz	HWWMBXZBDRAGGG-UHFFFAOYSA-N	0	0	373.501	2.749	10	30		FFEERN
C[C@@H]1CN(c2ccccc2NC(=O)N2CCc3cncnc3C2)C[C@H](C)O1	ZINC000329265681	967598944	/nfs/dbraw/zinc/59/89/44/967598944.db2.gz	FJGJHTQOYXIUIE-GASCZTMLSA-N	0	0	367.453	2.694	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC(c3nccs3)CC1)CC2	ZINC000329470826	967736525	/nfs/dbraw/zinc/73/65/25/967736525.db2.gz	YOFVECFFXPJLNV-CQSZACIVSA-N	0	0	374.514	2.966	10	30		FFEERN
Cc1cc(F)ccc1N1CCC[C@H](NC(=O)N2CCn3ccnc3C2)C1	ZINC000329472500	967737976	/nfs/dbraw/zinc/73/79/76/967737976.db2.gz	ZLCVVQAZBMEKLG-INIZCTEOSA-N	0	0	357.433	2.729	10	30		FFEERN
N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1	ZINC000329699507	967954385	/nfs/dbraw/zinc/95/43/85/967954385.db2.gz	DDNYVOPTCHTXGJ-RISCZKNCSA-N	0	0	355.377	2.506	10	30		FFEERN
N#Cc1ccc(NC(=O)CC[N@@H+](CCC(=O)[O-])Cc2ccccc2)cc1	ZINC000692516866	976520727	/nfs/dbraw/zinc/52/07/27/976520727.db2.gz	OWYBUEAMOPIVMG-UHFFFAOYSA-N	0	0	351.406	2.864	10	30		FFEERN
N#Cc1cccnc1N1CCCN(C(=O)c2cc3c(s2)CCC3)CC1	ZINC000056352523	210207410	/nfs/dbraw/zinc/20/74/10/210207410.db2.gz	JQDXNFJUYOFQCQ-UHFFFAOYSA-N	0	0	352.463	2.856	10	30		FFEERN
C=CCN1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S	ZINC000001009546	210148880	/nfs/dbraw/zinc/14/88/80/210148880.db2.gz	CIBWTVPKMCZJJE-XGICHPGQSA-N	0	0	350.377	2.711	10	30		FFEERN
C=C(C)CN(CC)c1nc(CN2CCN(C(C)=O)CC2)nc2ccccc21	ZINC000014888020	210146114	/nfs/dbraw/zinc/14/61/14/210146114.db2.gz	HMNBHTFMDLXPIZ-UHFFFAOYSA-N	0	0	367.497	2.696	10	30		FFEERN
CC(=O)/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C	ZINC000015053191	220142678	/nfs/dbraw/zinc/14/26/78/220142678.db2.gz	BNOWPELKBYSHKU-WVNQLESESA-N	0	0	352.471	2.638	10	30	biogenic	FFEERN
CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000103478016	250156710	/nfs/dbraw/zinc/15/67/10/250156710.db2.gz	CGPQMHAVYCPKPP-CQSZACIVSA-N	0	0	372.860	2.641	10	30		FFEERN
Cc1cc(NCc2cccc(N3CCCS3(=O)=O)c2)c(C#N)c(C)n1	ZINC000302188748	258094004	/nfs/dbraw/zinc/09/40/04/258094004.db2.gz	XIXMIHXJDPCIIG-UHFFFAOYSA-N	0	0	356.451	2.722	10	30		FFEERN
N#Cc1cc(Nc2ncc(Br)cn2)ccc1N1CCC(O)CC1	ZINC000301481011	258051937	/nfs/dbraw/zinc/05/19/37/258051937.db2.gz	WJYHHTLMUYBAGB-UHFFFAOYSA-N	0	0	374.242	2.815	10	30		FFEERN
C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)C[C@H]1N1CCOCC1	ZINC000301568366	258056382	/nfs/dbraw/zinc/05/63/82/258056382.db2.gz	LHLLBHTYOIDNKX-FZKQIMNGSA-N	0	0	356.857	2.917	10	30		FFEERN
Cc1nnc([C@H]2CCCCN2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[nH]1	ZINC000328674807	258117598	/nfs/dbraw/zinc/11/75/98/258117598.db2.gz	KDCJBOBGHXCXDQ-QZTJIDSGSA-N	0	0	364.453	2.707	10	30		FFEERN
CC(N=Nc1nc(N2CCCC2)nc(N2CCCC2)n1)c1ccccc1O	ZINC000105029560	222364202	/nfs/dbraw/zinc/36/42/02/222364202.db2.gz	BIRBDGAUQGZVDJ-UCQKPKSFSA-N	0	0	367.457	2.614	10	30		FFEERN
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000002561689	263145359	/nfs/dbraw/zinc/14/53/59/263145359.db2.gz	YACHBEWJKYHIJB-CQSZACIVSA-N	0	0	372.377	2.695	10	30		FFEERN
COC(=O)c1c(I)ccc(C#N)c1C(F)(F)F	ZINC000575392619	518209502	/nfs/dbraw/zinc/20/95/02/518209502.db2.gz	JJGBDIOBOYQVBH-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
N#Cc1ccc(Br)c([N+](=O)[O-])c1I	ZINC000575691407	518249611	/nfs/dbraw/zinc/24/96/11/518249611.db2.gz	CVGHIPCXJNXUCV-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
Cc1c(C=[NH+][N-]c2cccc([N+](=O)[O-])c2)n(C)n(-c2ccccc2)c1=O	ZINC000007785956	506588881	/nfs/dbraw/zinc/58/88/81/506588881.db2.gz	SRAPGLYQLKXCRP-XDHOZWIPSA-N	0	0	351.366	2.839	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)NCCSc3ccccc3)cc2C1=O	ZINC000008361201	506646476	/nfs/dbraw/zinc/64/64/76/506646476.db2.gz	NPMQAWRSAUSRTK-UHFFFAOYSA-N	0	0	366.442	2.991	10	30		FFEERN
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1	ZINC000010639862	506747831	/nfs/dbraw/zinc/74/78/31/506747831.db2.gz	ZPNSIADQNYFHID-UHFFFAOYSA-N	0	0	365.480	2.983	10	30		FFEERN
CC[C@@H](C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1	ZINC000015599207	507051082	/nfs/dbraw/zinc/05/10/82/507051082.db2.gz	KGIURHRTBIKLRX-CYBMUJFWSA-N	0	0	357.435	2.887	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2n2cccn2)ccc1Cl	ZINC000072720918	507847317	/nfs/dbraw/zinc/84/73/17/507847317.db2.gz	OZHYIINJPIRLIG-JKSUJKDBSA-N	0	0	364.858	2.870	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)NCCc3sc(C)nc3C)cc2C1=O	ZINC000108319136	507886954	/nfs/dbraw/zinc/88/69/54/507886954.db2.gz	DYEMBYIUZQRPLN-UHFFFAOYSA-N	0	0	369.446	2.514	10	30		FFEERN
N#CCc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1	ZINC000079016168	507926116	/nfs/dbraw/zinc/92/61/16/507926116.db2.gz	USMRLSMXZFKPMP-MRXNPFEDSA-N	0	0	355.419	2.793	10	30		FFEERN
C=CCOc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C	ZINC000109107257	507939459	/nfs/dbraw/zinc/93/94/59/507939459.db2.gz	HYVTVZBLDLQIMC-SFHVURJKSA-N	0	0	352.434	2.681	10	30		FFEERN
N#Cc1ccc(CSCC(=O)N2CCC(Nc3cccnn3)CC2)cc1	ZINC000109636614	507973863	/nfs/dbraw/zinc/97/38/63/507973863.db2.gz	GEMGGJCESDOVMI-UHFFFAOYSA-N	0	0	367.478	2.685	10	30		FFEERN
CCCn1cc(CN2CCCN(C(=O)C3(C#N)CCCCC3)CC2)cn1	ZINC000109666004	507978420	/nfs/dbraw/zinc/97/84/20/507978420.db2.gz	QPKVTISZIBFTBW-UHFFFAOYSA-N	0	0	357.502	2.801	10	30		FFEERN
COc1ccc2c(CC(=O)Nc3nc4n(c3C#N)CCS4)coc2c1	ZINC000109726136	507983606	/nfs/dbraw/zinc/98/36/06/507983606.db2.gz	KSWYTSSDOJKJGP-UHFFFAOYSA-N	0	0	354.391	2.796	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](NC(=O)CCC)C1	ZINC000111886247	508134444	/nfs/dbraw/zinc/13/44/44/508134444.db2.gz	QETDILOGTQJSRK-QGZVFWFLSA-N	0	0	359.470	2.842	10	30		FFEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCCCOc1cccc(C#N)c1	ZINC000081581031	508193042	/nfs/dbraw/zinc/19/30/42/508193042.db2.gz	KZVYNGJZIBKTJA-KRWDZBQOSA-N	0	0	353.426	2.659	10	30		FFEERN
CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2CCCn3ccnc32)ccc1OC	ZINC000081729199	508207136	/nfs/dbraw/zinc/20/71/36/508207136.db2.gz	HGAXOQGQDRGGPY-CVEARBPZSA-N	0	0	368.437	2.766	10	30		FFEERN
CC(C)c1nc2c(n1C)CCN(C(=O)Cc1ccc(OCC#N)cc1)C2	ZINC000112668200	508207706	/nfs/dbraw/zinc/20/77/06/508207706.db2.gz	PWKBZKXJBRVJDC-UHFFFAOYSA-N	0	0	352.438	2.573	10	30		FFEERN
CCn1cc(CN2CCCN(C(=O)Nc3cccc(C#N)c3)CC2)cn1	ZINC000112713148	508214655	/nfs/dbraw/zinc/21/46/55/508214655.db2.gz	WJNJLIIVPYQYPQ-UHFFFAOYSA-N	0	0	352.442	2.514	10	30		FFEERN
N#Cc1ccc(OC(F)F)c(NC(=O)Cn2cnc3ccccc3c2=O)c1	ZINC000102746503	508283364	/nfs/dbraw/zinc/28/33/64/508283364.db2.gz	PAHBRUQSTNHSOJ-UHFFFAOYSA-N	0	0	370.315	2.508	10	30		FFEERN
COc1cn(-c2cccc(C(F)(F)F)c2)nc(C(=O)/C=C/N(C)C)c1=O	ZINC000114006514	508290179	/nfs/dbraw/zinc/29/01/79/508290179.db2.gz	RTMKONBNHGXADX-BQYQJAHWSA-N	0	0	367.327	2.518	10	30		FFEERN
COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(C#N)c2)cc1F	ZINC000103152732	508298974	/nfs/dbraw/zinc/29/89/74/508298974.db2.gz	CMSYSGGDXMUGJR-SNVBAGLBSA-N	0	0	352.362	2.885	10	30		FFEERN
CC(C)n1nccc1NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000114514002	508323827	/nfs/dbraw/zinc/32/38/27/508323827.db2.gz	QZCGURBEMHTBPT-QGZVFWFLSA-N	0	0	352.442	2.706	10	30		FFEERN
CCCC(=O)NCC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	ZINC000104394319	508333823	/nfs/dbraw/zinc/33/38/23/508333823.db2.gz	IMJBAFOKYWAAOJ-LJQANCHMSA-N	0	0	365.433	2.863	10	30		FFEERN
N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H](c3nccs3)C2)c1	ZINC000128555803	508611341	/nfs/dbraw/zinc/61/13/41/508611341.db2.gz	FJJFRNSLUNCZIL-OAHLLOKOSA-N	0	0	361.492	2.668	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000128643047	508622960	/nfs/dbraw/zinc/62/29/60/508622960.db2.gz	YXYZQSVRMZYMDF-SFHVURJKSA-N	0	0	372.494	2.519	10	30		FFEERN
Cc1ccc(N2CCC(NC(=O)[C@H](C)Oc3ccccc3C#N)CC2)nc1	ZINC000157860466	508623351	/nfs/dbraw/zinc/62/33/51/508623351.db2.gz	XZVOPMSRNCHVQA-INIZCTEOSA-N	0	0	364.449	2.814	10	30		FFEERN
C=C(C)Cn1c(SCc2nnnn2C(C)C)nnc1-c1ccncc1	ZINC000123343799	508672882	/nfs/dbraw/zinc/67/28/82/508672882.db2.gz	GQJMAVHSAKKMQN-UHFFFAOYSA-N	0	0	356.459	2.776	10	30		FFEERN
C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@@H](O)C(C)C)nc1C	ZINC000159499907	508851011	/nfs/dbraw/zinc/85/10/11/508851011.db2.gz	PBGPEBHPYCJEDG-SNVBAGLBSA-N	0	0	367.500	2.530	10	30		FFEERN
N#Cc1ccc(CNC(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1	ZINC000178956935	509203137	/nfs/dbraw/zinc/20/31/37/509203137.db2.gz	XEJFCLAUPIGDLQ-MAUKXSAKSA-N	0	0	357.360	2.854	10	30		FFEERN
CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)c(C)n2)c2ccc(F)cc2C1	ZINC000185526121	509220949	/nfs/dbraw/zinc/22/09/49/509220949.db2.gz	TWCXGQFCVFXRFM-SFHVURJKSA-N	0	0	366.396	2.624	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000191871991	509224264	/nfs/dbraw/zinc/22/42/64/509224264.db2.gz	XLBRDUUVUPGCBA-UHFFFAOYSA-N	0	0	372.469	2.828	10	30		FFEERN
C=CCN(CCOC)C(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C	ZINC000191979168	509275139	/nfs/dbraw/zinc/27/51/39/509275139.db2.gz	JCRITRRBEZSXQM-MRXNPFEDSA-N	0	0	352.862	2.755	10	30		FFEERN
COc1cc(C#N)ccc1OCC(=O)N[C@H](C)COCc1ccccc1	ZINC000172963212	509326258	/nfs/dbraw/zinc/32/62/58/509326258.db2.gz	QJBXSDATIWQXPJ-OAHLLOKOSA-N	0	0	354.406	2.667	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccc(C#N)c2)CC1	ZINC000192159474	509381236	/nfs/dbraw/zinc/38/12/36/509381236.db2.gz	AXCALSVMPXENPN-SFHVURJKSA-N	0	0	371.481	2.826	10	30		FFEERN
Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1	ZINC000192304120	509454515	/nfs/dbraw/zinc/45/45/15/509454515.db2.gz	QHCDTHXUAVBDSI-WMLDXEAASA-N	0	0	366.421	2.621	10	30		FFEERN
Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(CC#N)cc3)C2)n1	ZINC000173383536	509564589	/nfs/dbraw/zinc/56/45/89/509564589.db2.gz	WFNOFEJWQDNAOX-OAHLLOKOSA-N	0	0	368.462	2.862	10	30		FFEERN
CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1sccc1C#N	ZINC000176538184	509569273	/nfs/dbraw/zinc/56/92/73/509569273.db2.gz	FPDUHLKXXIALJQ-AWEZNQCLSA-N	0	0	361.492	2.827	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCn2nc(CC)nc21	ZINC000176561487	509585194	/nfs/dbraw/zinc/58/51/94/509585194.db2.gz	UNTBYIGNDQUEHB-CYBMUJFWSA-N	0	0	354.414	2.767	10	30		FFEERN
C[C@H](COCc1ccccc1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000176638705	509621894	/nfs/dbraw/zinc/62/18/94/509621894.db2.gz	FOIXXYKJTYFWTA-CYBMUJFWSA-N	0	0	371.824	2.872	10	30		FFEERN
Cc1csc([C@H]2CN(Cc3nnc(-c4ccc(C#N)cc4)o3)CCO2)n1	ZINC000173600282	509668061	/nfs/dbraw/zinc/66/80/61/509668061.db2.gz	RYDGIWWZVJQZBY-OAHLLOKOSA-N	0	0	367.434	2.947	10	30		FFEERN
COC(=O)[C@@H]1CCCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000192962504	509716509	/nfs/dbraw/zinc/71/65/09/509716509.db2.gz	WMTNSSYASFWKLW-INIZCTEOSA-N	0	0	363.845	2.614	10	30		FFEERN
CCc1nc(C2(NCCOc3ccc(C#N)cc3OC)CCCC2)no1	ZINC000173693208	509723920	/nfs/dbraw/zinc/72/39/20/509723920.db2.gz	BUULAIRXFSYZHC-UHFFFAOYSA-N	0	0	356.426	2.950	10	30		FFEERN
CC(C)C(=O)N1CCC(=NO[C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1	ZINC000177063229	509849129	/nfs/dbraw/zinc/84/91/29/509849129.db2.gz	JFSOKQRUBHABID-JKSUJKDBSA-N	0	0	359.470	2.903	10	30		FFEERN
C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1cccc(-n2ccnc2)c1	ZINC000173966290	509878857	/nfs/dbraw/zinc/87/88/57/509878857.db2.gz	SKRFQNADAOMLAN-OAHLLOKOSA-N	0	0	366.446	2.925	10	30		FFEERN
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1cccc(-n2ccnc2)c1	ZINC000173965575	509879007	/nfs/dbraw/zinc/87/90/07/509879007.db2.gz	OFNSMTSZYVBKMR-AWEZNQCLSA-N	0	0	352.419	2.783	10	30		FFEERN
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(-n2ccnc2)c1	ZINC000173964262	509879274	/nfs/dbraw/zinc/87/92/74/509879274.db2.gz	IASWVGAKXXWNEI-AWEZNQCLSA-N	0	0	352.419	2.783	10	30		FFEERN
C=CCn1c(SC[C@@H](O)COCCCC)nc2sccc2c1=O	ZINC000193360456	509881019	/nfs/dbraw/zinc/88/10/19/509881019.db2.gz	WILUCLDKPCPHHG-LBPRGKRZSA-N	0	0	354.497	2.914	10	30		FFEERN
COc1ccc(C=Nc2cnn(C)c2C(=O)NCc2ccco2)c(OC)c1	ZINC000254316475	509906055	/nfs/dbraw/zinc/90/60/55/509906055.db2.gz	ILKNVPZAJZMZKK-UHFFFAOYSA-N	0	0	368.393	2.711	10	30		FFEERN
C#CCCCCNC(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000190131383	509956138	/nfs/dbraw/zinc/95/61/38/509956138.db2.gz	JXAKDKIBWXGBFO-KRWDZBQOSA-N	0	0	365.518	2.628	10	30		FFEERN
Cc1csc([C@H]2COCCN2C(=O)NCc2ccc(OCC#N)cc2)n1	ZINC000190167987	509982215	/nfs/dbraw/zinc/98/22/15/509982215.db2.gz	DICLJLYSMSGZCH-MRXNPFEDSA-N	0	0	372.450	2.637	10	30		FFEERN
Cc1csc([C@@H]2COCCN2C(=O)NCc2ccc(OCC#N)cc2)n1	ZINC000190167967	509982483	/nfs/dbraw/zinc/98/24/83/509982483.db2.gz	DICLJLYSMSGZCH-INIZCTEOSA-N	0	0	372.450	2.637	10	30		FFEERN
Cc1c(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cccc1N1CCNC1=O	ZINC000183950415	510052941	/nfs/dbraw/zinc/05/29/41/510052941.db2.gz	PDTBTMPPMUYAMI-QFIPXVFZSA-N	0	0	374.444	2.706	10	30		FFEERN
CCc1csc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)n1	ZINC000177517722	510110769	/nfs/dbraw/zinc/11/07/69/510110769.db2.gz	VSAIJMSHBSGPSS-AWEZNQCLSA-N	0	0	368.462	2.922	10	30		FFEERN
N#CCCN(CC(F)(F)F)C(=O)C1CCN(C(=O)c2cccs2)CC1	ZINC000177619082	510163992	/nfs/dbraw/zinc/16/39/92/510163992.db2.gz	GCVRYAPVRKTWSV-UHFFFAOYSA-N	0	0	373.400	2.905	10	30		FFEERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193995027	510167350	/nfs/dbraw/zinc/16/73/50/510167350.db2.gz	YSAWFAAGXZIFSG-KGLIPLIRSA-N	0	0	372.429	2.800	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2CCO[C@H](c3nccs3)C2)cc1Cl	ZINC000171667311	510296044	/nfs/dbraw/zinc/29/60/44/510296044.db2.gz	RDNMJPWXOSCYCQ-AWEZNQCLSA-N	0	0	362.842	2.680	10	30		FFEERN
CCc1nc2n(n1)C[C@@H](Nc1c(C#N)cnc3c(F)cc(F)cc31)CC2	ZINC000171819670	510390212	/nfs/dbraw/zinc/39/02/12/510390212.db2.gz	JBZWQHYDAXCORL-LBPRGKRZSA-N	0	0	354.364	2.965	10	30		FFEERN
CC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1C)c1cccc([N+](=O)[O-])c1	ZINC000178056199	510403615	/nfs/dbraw/zinc/40/36/15/510403615.db2.gz	KGXHITWTBXRJQR-INIZCTEOSA-N	0	0	366.377	2.981	10	30		FFEERN
Cc1cnn([C@H]2CCCN(S(=O)(=O)c3cc(C#N)ccc3Cl)C2)c1	ZINC000184608328	510413451	/nfs/dbraw/zinc/41/34/51/510413451.db2.gz	FCVCGRXIHWKFDI-AWEZNQCLSA-N	0	0	364.858	2.742	10	30		FFEERN
Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3C)C2)n1	ZINC000178501009	510633355	/nfs/dbraw/zinc/63/33/55/510633355.db2.gz	LVLSUBOWXDJQNN-OAHLLOKOSA-N	0	0	368.462	2.976	10	30		FFEERN
N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1	ZINC000185012717	510634474	/nfs/dbraw/zinc/63/44/74/510634474.db2.gz	RRJZFUWXZUIKNK-HUUCEWRRSA-N	0	0	364.858	2.870	10	30		FFEERN
N#Cc1cccc(NC(=O)CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1	ZINC000246902945	510737808	/nfs/dbraw/zinc/73/78/08/510737808.db2.gz	XTKYFZDRAKXPEJ-YJBOKZPZSA-N	0	0	357.360	2.583	10	30		FFEERN
N#CCSc1ccccc1NC(=O)CN1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000246919698	510745855	/nfs/dbraw/zinc/74/58/55/510745855.db2.gz	MXNQCYZJEDWAMP-KXBFYZLASA-N	0	0	359.495	2.868	10	30		FFEERN
Cn1cc(C#N)cc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000178829544	510793920	/nfs/dbraw/zinc/79/39/20/510793920.db2.gz	NNVNLKKUBNLABR-LSDHHAIUSA-N	0	0	363.339	2.864	10	30		FFEERN
Cc1csc([C@H]2CN(CC(=O)Nc3oc(C)c(C)c3C#N)CCO2)n1	ZINC000195387817	510808346	/nfs/dbraw/zinc/80/83/46/510808346.db2.gz	YQWNLOXOQLZHAQ-CQSZACIVSA-N	0	0	360.439	2.545	10	30		FFEERN
CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCNC(=O)C2N=CC=CC2=O)cc1	ZINC000172606470	510818290	/nfs/dbraw/zinc/81/82/90/510818290.db2.gz	ZWEVUNMAOSCIOL-XZHYIPMRSA-N	0	0	367.449	2.556	10	30		FFEERN
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000185424918	510841208	/nfs/dbraw/zinc/84/12/08/510841208.db2.gz	TXYZJBFDZHYLJL-NWDGAFQWSA-N	0	0	362.373	2.966	10	30		FFEERN
C[C@@H]1CN(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)C[C@@H](C2CC2)O1	ZINC000329947009	510884186	/nfs/dbraw/zinc/88/41/86/510884186.db2.gz	GSHXJPPIJRYJDK-FBVAEJEDSA-N	0	0	371.481	2.619	10	30		FFEERN
CO[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)C1	ZINC000329975517	510891202	/nfs/dbraw/zinc/89/12/02/510891202.db2.gz	DSMIZTWJYSPMRL-GVDBMIGSSA-N	0	0	374.485	2.616	10	30		FFEERN
CCOc1cc2c(cc1NC(=O)N1CCC[C@@H](c3nnc[nH]3)C1)O[C@H](C)C2	ZINC000330144712	510924594	/nfs/dbraw/zinc/92/45/94/510924594.db2.gz	RVQVXDORJPJANA-CHWSQXEVSA-N	0	0	371.441	2.952	10	30		FFEERN
CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](c1nc(C(C)C)no1)C1CCOCC1	ZINC000330278811	510955842	/nfs/dbraw/zinc/95/58/42/510955842.db2.gz	QCQWJBMCAGMDKK-HUUCEWRRSA-N	0	0	364.446	2.628	10	30		FFEERN
Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)cn1	ZINC000330338393	510968034	/nfs/dbraw/zinc/96/80/34/510968034.db2.gz	VIURQXLHPZRWCG-OKZBNKHCSA-N	0	0	368.437	2.650	10	30		FFEERN
O=C(N[C@@H]1CCCC12CCOCC2)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000328648745	511907117	/nfs/dbraw/zinc/90/71/17/511907117.db2.gz	IMTQEBKYUMIIIM-IXDOHACOSA-N	0	0	363.502	2.630	10	30		FFEERN
CC(=O)N(Cc1cncnc1)[C@H]1CCCN(c2cccc(F)c2C#N)CC1	ZINC000328655564	511909127	/nfs/dbraw/zinc/90/91/27/511909127.db2.gz	YLXYTFMIAOTWQB-KRWDZBQOSA-N	0	0	367.428	2.895	10	30		FFEERN
O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)NC1C2CC3CC(C2)CC1C3	ZINC000328725036	511922033	/nfs/dbraw/zinc/92/20/33/511922033.db2.gz	YXFINUNAHRGKFN-QVCVHKKHSA-N	0	0	362.514	2.882	10	30		FFEERN
CN1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000328851120	511941024	/nfs/dbraw/zinc/94/10/24/511941024.db2.gz	UXGCNNHJWOJQNB-COXVUDFISA-N	0	0	351.878	2.704	10	30		FFEERN
Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1	ZINC000328964290	511957989	/nfs/dbraw/zinc/95/79/89/511957989.db2.gz	LVAUDBVZHCMYAO-GVDBMIGSSA-N	0	0	374.485	2.635	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@H]2CCCCC2(C)C)C1	ZINC000329048354	511973281	/nfs/dbraw/zinc/97/32/81/511973281.db2.gz	KDXLGDLLDOZQCX-JYJNAYRXSA-N	0	0	351.491	2.581	10	30		FFEERN
CNC(=O)[C@H]1CN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C[C@@H]1c1cnn(C)c1	ZINC000329093810	511982281	/nfs/dbraw/zinc/98/22/81/511982281.db2.gz	XKSYBOCIOUFAPG-YKJOPOJSSA-N	0	0	373.501	2.905	10	30		FFEERN
COc1ccc([C@H]2OCC[C@@H]2NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cn1	ZINC000329152234	511993696	/nfs/dbraw/zinc/99/36/96/511993696.db2.gz	ANZXZUQJTQKSCD-URLQWDBASA-N	0	0	373.453	2.668	10	30		FFEERN
O=C(CCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)N[C@H]1CCCc2ccccc21	ZINC000329197011	512001901	/nfs/dbraw/zinc/00/19/01/512001901.db2.gz	VAUJRXHSAVMCEB-RYQLBKOJSA-N	0	0	362.495	2.530	10	30		FFEERN
O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CCc2cncnc2C1	ZINC000329299643	512022994	/nfs/dbraw/zinc/02/29/94/512022994.db2.gz	VEEWEZRCHBQUPL-UHFFFAOYSA-N	0	0	374.828	2.764	10	30		FFEERN
Cc1ccc2oc(N3CCN(C(=O)NC[C@]4(C)CCOC4)CC3)nc2c1	ZINC000329409039	512040213	/nfs/dbraw/zinc/04/02/13/512040213.db2.gz	ACQQBWVPFQQVAA-IBGZPJMESA-N	0	0	358.442	2.599	10	30		FFEERN
C[C@@]1(c2ccccc2)CCCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1	ZINC000329414013	512042261	/nfs/dbraw/zinc/04/22/61/512042261.db2.gz	CSJXSAHPYJHUEV-NLWGTHIKSA-N	0	0	369.469	2.576	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)C1	ZINC000329433373	512046416	/nfs/dbraw/zinc/04/64/16/512046416.db2.gz	KUJYNEKTTZCARQ-NXOAAHMSSA-N	0	0	365.518	2.827	10	30		FFEERN
CC(=O)NC1CCC(NC(=O)N2CCO[C@H](c3nccs3)C2)CC1	ZINC000329445435	512049489	/nfs/dbraw/zinc/04/94/89/512049489.db2.gz	LRXMJHHNSQVLPA-RUXDESIVSA-N	0	0	352.460	2.718	10	30		FFEERN
COc1ccc([C@H](OC)[C@@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1	ZINC000329474130	512053387	/nfs/dbraw/zinc/05/33/87/512053387.db2.gz	BNYMAIGOZLUHJM-BASLNEPJSA-N	0	0	361.442	2.736	10	30		FFEERN
Cc1cc2c[nH]nc2c(C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)c1	ZINC000329553168	512068498	/nfs/dbraw/zinc/06/84/98/512068498.db2.gz	DDLALNCGLDPUMY-OAHLLOKOSA-N	0	0	350.426	2.943	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)nn1	ZINC000329571614	512070923	/nfs/dbraw/zinc/07/09/23/512070923.db2.gz	IYJFBYYRTTYDBN-CVEARBPZSA-N	0	0	371.485	2.501	10	30		FFEERN
O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000329588047	512074586	/nfs/dbraw/zinc/07/45/86/512074586.db2.gz	MXZMYJDHOIRDMO-WJFTUGDTSA-N	0	0	362.445	2.979	10	30		FFEERN
Cc1cc(N2CCC[C@H](NC(=O)N3Cc4ccccc4[C@@H]3C)C2=O)n(C)n1	ZINC000329612679	512077172	/nfs/dbraw/zinc/07/71/72/512077172.db2.gz	CNLWEPJXDTVIJN-YOEHRIQHSA-N	0	0	367.453	2.715	10	30		FFEERN
CNC(=O)[C@@H]1CCCCN1C(=O)CC[C@H]1CN(C(C)=O)c2ccccc21	ZINC000329634238	512079199	/nfs/dbraw/zinc/07/91/99/512079199.db2.gz	SZFHHAIBYGWDOH-YJBOKZPZSA-N	0	0	357.454	2.884	10	30		FFEERN
O=C(N[C@@H]1CCCCC12CCCC2)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000329757765	512093669	/nfs/dbraw/zinc/09/36/69/512093669.db2.gz	ZOWJANXLWLWPMV-GVDBMIGSSA-N	0	0	364.486	2.852	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)CCC2	ZINC000329858832	512104470	/nfs/dbraw/zinc/10/44/70/512104470.db2.gz	WIKITKIYPXWXGW-HUUCEWRRSA-N	0	0	364.490	2.757	10	30		FFEERN
CC[C@@H]1CN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CCS1	ZINC000408287098	513038872	/nfs/dbraw/zinc/03/88/72/513038872.db2.gz	PAHIWYPZBKJMTK-DLBZAZTESA-N	0	0	358.511	2.832	10	30		FFEERN
CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ccc(Cl)c(C#N)n2)C1	ZINC000548662179	517118154	/nfs/dbraw/zinc/11/81/54/517118154.db2.gz	VRYLBCKHTUSOSK-INIZCTEOSA-N	0	0	361.858	2.613	10	30		FFEERN
N#CCc1ccc([N+](=O)[O-])c(I)c1OC(F)F	ZINC000575667108	518245696	/nfs/dbraw/zinc/24/56/96/518245696.db2.gz	MGXNQXZLLNUORR-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
CO[C@H](C)C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1	ZINC000328605008	523835928	/nfs/dbraw/zinc/83/59/28/523835928.db2.gz	LWVGJMARRHHIPO-FHSNZYRGSA-N	0	0	374.416	2.522	10	30		FFEERN
C=C(Br)CNC(=O)N1CCN(c2nc3ccccc3o2)CC1	ZINC000172364775	729024411	/nfs/dbraw/zinc/02/44/11/729024411.db2.gz	XTXJXSNYYZKNLY-UHFFFAOYSA-N	0	0	365.231	2.568	10	30		FFEERN
C#CCCCNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000172923871	729035286	/nfs/dbraw/zinc/03/52/86/729035286.db2.gz	NPRCSTIQMDTLEQ-HNNXBMFYSA-N	0	0	365.817	2.532	10	30		FFEERN
C#C[C@@H](C)OC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000174444399	729072093	/nfs/dbraw/zinc/07/20/93/729072093.db2.gz	AUOCKYOUNHPCHC-QMTHXVAHSA-N	0	0	352.774	2.568	10	30		FFEERN
C#C[C@@H](C)OC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000174444387	729072222	/nfs/dbraw/zinc/07/22/22/729072222.db2.gz	AUOCKYOUNHPCHC-YGRLFVJLSA-N	0	0	352.774	2.568	10	30		FFEERN
C[C@H]1CN([C@@H](CNC(=O)C#Cc2ccccc2)c2cccs2)CCO1	ZINC000177975748	729151188	/nfs/dbraw/zinc/15/11/88/729151188.db2.gz	JUKLVHQJOKVTHM-WMZOPIPTSA-N	0	0	354.475	2.678	10	30		FFEERN
CCCS(=O)(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	ZINC000245422764	729569719	/nfs/dbraw/zinc/56/97/19/729569719.db2.gz	AHZITPNBEGIUGS-JSGCOSHPSA-N	0	0	369.512	2.647	10	30		FFEERN
C[C@H]1CN([C@H](CNC(=O)C#Cc2ccccc2)c2cccs2)CCO1	ZINC000246800968	729590597	/nfs/dbraw/zinc/59/05/97/729590597.db2.gz	JUKLVHQJOKVTHM-FUHWJXTLSA-N	0	0	354.475	2.678	10	30		FFEERN
Cc1cn2c(n1)[C@@H](CNC(=O)c1csc(-c3cnn(C)c3)n1)CCC2	ZINC000328862465	729795581	/nfs/dbraw/zinc/79/55/81/729795581.db2.gz	ZBIZJHJWHHOBPC-GFCCVEGCSA-N	0	0	356.455	2.931	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNc2cc(Cl)ccc2C#N)C1	ZINC000702769878	734357097	/nfs/dbraw/zinc/35/70/97/734357097.db2.gz	PCHBXFZXOXCOPF-WFASDCNBSA-N	0	0	351.834	2.851	10	30		FFEERN
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1coc2ccccc12	ZINC000328917310	965050837	/nfs/dbraw/zinc/05/08/37/965050837.db2.gz	KPYDWHIOUSLDOQ-UHFFFAOYSA-N	0	0	355.438	2.682	10	30		FFEERN
Cc1cccc2cc(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)oc21	ZINC000328933634	965064146	/nfs/dbraw/zinc/06/41/46/965064146.db2.gz	PUFLDBORVDRTHI-UHFFFAOYSA-N	0	0	369.465	2.990	10	30		FFEERN
Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000329260361	967589118	/nfs/dbraw/zinc/58/91/18/967589118.db2.gz	FPGKVYXEINPFFP-HIFRSBDPSA-N	0	0	370.501	2.810	10	30		FFEERN
Cc1ccc2c(c1C)OC[C@@H]2[NH+]=C([O-])N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000329465662	967733212	/nfs/dbraw/zinc/73/32/12/967733212.db2.gz	VEQWANGMFXNRNK-HOCLYGCPSA-N	0	0	369.469	2.970	10	30		FFEERN
COc1ccc(OC)c(C=NOCC(=O)N2CCC[C@H](C(F)(F)F)C2)c1	ZINC000588600384	968072789	/nfs/dbraw/zinc/07/27/89/968072789.db2.gz	RXXXIDPHYRQTKB-ZDUSSCGKSA-N	0	0	374.359	2.855	10	30		FFEERN
C#CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cc1	ZINC000108187776	977868750	/nfs/dbraw/zinc/86/87/50/977868750.db2.gz	SYYQLTMCTKQCHI-GOSISDBHSA-N	0	0	368.458	2.932	10	30		FFEERN
C#CCN(Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000104092437	1004418791	/nfs/dbraw/zinc/41/87/91/1004418791.db2.gz	SQDDTEPCWYWPQK-FQEVSTJZSA-N	0	0	364.470	2.848	10	30		FFEERN
COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2C)c1	ZINC000102119223	1005022201	/nfs/dbraw/zinc/02/22/01/1005022201.db2.gz	YNYMAWGUCGZHSC-INIZCTEOSA-N	0	0	353.334	2.873	10	30		FFEERN
C=C1C(=O)O[C@@H]2C[C@H](C)[C@]3(OC)CC[C@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3	ZINC000098214451	210244280	/nfs/dbraw/zinc/24/42/80/210244280.db2.gz	SOLCYTMIFQPNDN-IZEBJNRDSA-N	0	0	366.454	2.994	10	30		FFEERN
CCCC(=O)N[C@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000101565105	250078510	/nfs/dbraw/zinc/07/85/10/250078510.db2.gz	MGGZHYVHBJSLCQ-HNNXBMFYSA-N	0	0	362.861	2.531	10	30		FFEERN
N#Cc1cnc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cn1	ZINC000106465326	250272331	/nfs/dbraw/zinc/27/23/31/250272331.db2.gz	FZYOJZSTMMRJFB-ZDUSSCGKSA-N	0	0	350.357	2.921	10	30		FFEERN
Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000130552451	250916026	/nfs/dbraw/zinc/91/60/26/250916026.db2.gz	RHJFQUWLNCFNHY-BQYQJAHWSA-N	0	0	356.813	2.557	10	30		FFEERN
N#Cc1cnc2ccccc2c1N1CCCN(C(=O)c2ccncc2)CC1	ZINC000301349961	258044436	/nfs/dbraw/zinc/04/44/36/258044436.db2.gz	INMCZNLZMIBAJE-UHFFFAOYSA-N	0	0	357.417	2.854	10	30		FFEERN
N#Cc1cccnc1N1CCCN(c2ccc(Br)cn2)CC1	ZINC000301375742	258046072	/nfs/dbraw/zinc/04/60/72/258046072.db2.gz	SAUXLNAFTUPBJO-UHFFFAOYSA-N	0	0	358.243	2.827	10	30		FFEERN
CC(=O)c1ccc(C#N)cc1NCc1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000302124732	258089763	/nfs/dbraw/zinc/08/97/63/258089763.db2.gz	VZIJUBSBPJLMBK-UHFFFAOYSA-N	0	0	369.446	2.814	10	30		FFEERN
CC(=O)c1ccc(C#N)c(N2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1	ZINC000302127774	258089874	/nfs/dbraw/zinc/08/98/74/258089874.db2.gz	XBMISQNVUXXISE-GJZGRUSLSA-N	0	0	369.465	2.613	10	30		FFEERN
Cc1cc(C)c2ncc(C#N)c(N3C[C@H](C)[C@H](N4CCOCC4)C3)c2c1	ZINC000301535100	258054291	/nfs/dbraw/zinc/05/42/91/258054291.db2.gz	AGMDYODLVQOPDE-QFBILLFUSA-N	0	0	350.466	2.880	10	30		FFEERN
Cc1cc(S(=O)(=O)NCCNc2c(F)cc(C#N)cc2F)c(C)s1	ZINC000301794979	258067739	/nfs/dbraw/zinc/06/77/39/258067739.db2.gz	SOCYSRNEZMUADG-UHFFFAOYSA-N	0	0	371.434	2.905	10	30		FFEERN
N#Cc1ccnc(N2CCC[C@@H](Oc3ccc(Cl)cn3)C2)c1[N+](=O)[O-]	ZINC000301796437	258068087	/nfs/dbraw/zinc/06/80/87/258068087.db2.gz	UIPKAJRAQXNNID-CYBMUJFWSA-N	0	0	359.773	2.958	10	30		FFEERN
N#Cc1ccccc1N1CCCN(C(=O)C[C@H]2CCCCNC2=O)CC1	ZINC000329226765	258132922	/nfs/dbraw/zinc/13/29/22/258132922.db2.gz	ASFNVUWXJOIZQO-MRXNPFEDSA-N	0	0	354.454	2.744	10	30		FFEERN
NS(=O)(=O)c1ccc(/N=C\c2cc(Br)ccc2O)cc1	ZINC000100428107	222244276	/nfs/dbraw/zinc/24/42/76/222244276.db2.gz	YLZCXFNEZYMLLJ-PXNMLYILSA-N	0	0	355.213	2.553	10	30		FFEERN
N#Cc1cc([N+](=O)[O-])c(Br)cc1I	ZINC000575691796	518249017	/nfs/dbraw/zinc/24/90/17/518249017.db2.gz	HULDZOBSRZZMAI-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000065880732	506385558	/nfs/dbraw/zinc/38/55/58/506385558.db2.gz	DPURLQARARWETR-UWAICQJNSA-N	0	0	357.498	2.812	10	30		FFEERN
C[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1ccc2c(c1)OCCO2	ZINC000042143184	506602027	/nfs/dbraw/zinc/60/20/27/506602027.db2.gz	QBWYGMNAQCODQV-KBPBESRZSA-N	0	0	352.390	2.974	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1	ZINC000067414204	506869612	/nfs/dbraw/zinc/86/96/12/506869612.db2.gz	MWBKUHZLEISUEV-INIZCTEOSA-N	0	0	369.808	2.985	10	30		FFEERN
C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCS1	ZINC000069151578	507422001	/nfs/dbraw/zinc/42/20/01/507422001.db2.gz	VUBMQEWEHBRXOH-DZGCQCFKSA-N	0	0	362.474	2.813	10	30		FFEERN
O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000029388393	507776362	/nfs/dbraw/zinc/77/63/62/507776362.db2.gz	RJYZHLWKVMIXIL-NSHDSACASA-N	0	0	367.331	2.503	10	30		FFEERN
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000072562292	507825063	/nfs/dbraw/zinc/82/50/63/507825063.db2.gz	YWPXUGAOBCXTAQ-IKGGRYGDSA-N	0	0	366.421	2.914	10	30		FFEERN
CCCN(C[C@@H]1CCCCO1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000106973637	507832725	/nfs/dbraw/zinc/83/27/25/507832725.db2.gz	OPBCGYISIAVKJO-HNNXBMFYSA-N	0	0	363.845	2.958	10	30		FFEERN
CC(C)(C)OC(=O)NC[C@@H]1CCCN1CC(=O)Nc1sccc1C#N	ZINC000072824257	507858663	/nfs/dbraw/zinc/85/86/63/507858663.db2.gz	WDSUNBYSLJUJHN-ZDUSSCGKSA-N	0	0	364.471	2.547	10	30		FFEERN
N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](Cn2cccn2)C1	ZINC000111082075	508069585	/nfs/dbraw/zinc/06/95/85/508069585.db2.gz	YCUMOHFIBHKUDK-GOSISDBHSA-N	0	0	372.428	2.963	10	30		FFEERN
N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](Cn2cccn2)C1	ZINC000111082071	508069682	/nfs/dbraw/zinc/06/96/82/508069682.db2.gz	YCUMOHFIBHKUDK-SFHVURJKSA-N	0	0	372.428	2.963	10	30		FFEERN
C=CC1CCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)CC1	ZINC000111486650	508103963	/nfs/dbraw/zinc/10/39/63/508103963.db2.gz	ZPQIXHSXSGHIGR-UHFFFAOYSA-N	0	0	365.543	2.728	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)cc1	ZINC000111731472	508117988	/nfs/dbraw/zinc/11/79/88/508117988.db2.gz	VBTBZHQEMOYJLC-SFHVURJKSA-N	0	0	367.453	2.976	10	30		FFEERN
N#Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)nc1	ZINC000093243102	508129972	/nfs/dbraw/zinc/12/99/72/508129972.db2.gz	XKTUQBXGOUQYLO-HOCLYGCPSA-N	0	0	361.323	2.920	10	30		FFEERN
COc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(C#N)c2)cc1OC	ZINC000075791098	508133996	/nfs/dbraw/zinc/13/39/96/508133996.db2.gz	RBVUXUFYRWMLAA-ZDUSSCGKSA-N	0	0	360.435	2.756	10	30		FFEERN
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1C	ZINC000076602937	508229855	/nfs/dbraw/zinc/22/98/55/508229855.db2.gz	OWQHUPIHLOMNBP-LIRRHRJNSA-N	0	0	363.417	2.909	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cc1	ZINC000076698715	508242922	/nfs/dbraw/zinc/24/29/22/508242922.db2.gz	DMSAXEFIQOJKBB-OALUTQOASA-N	0	0	363.417	2.611	10	30		FFEERN
CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(CCC#N)CCN2CCOCC2)cc1	ZINC000076984688	508271159	/nfs/dbraw/zinc/27/11/59/508271159.db2.gz	VTCCTFFDIFPKOU-RTWAWAEBSA-N	0	0	369.509	2.988	10	30		FFEERN
COc1ccccc1CCN(C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000104460834	508335565	/nfs/dbraw/zinc/33/55/65/508335565.db2.gz	FEOWIDRTSYYRJR-UHFFFAOYSA-N	0	0	371.824	2.860	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N[C@@H]1CCCn2nc(CC)nc21	ZINC000087102387	508336756	/nfs/dbraw/zinc/33/67/56/508336756.db2.gz	SYIKVXSESAOSMX-OAHLLOKOSA-N	0	0	355.442	2.740	10	30		FFEERN
Cc1ccc(C(=O)CCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1	ZINC000105287055	508368614	/nfs/dbraw/zinc/36/86/14/508368614.db2.gz	CDPNRSVUVUJZOK-UHFFFAOYSA-N	0	0	362.433	2.573	10	30		FFEERN
N#Cc1ccc(CNC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)c(F)c1	ZINC000105600861	508377732	/nfs/dbraw/zinc/37/77/32/508377732.db2.gz	HBVSKDINQJQPBU-AWEZNQCLSA-N	0	0	373.334	2.645	10	30		FFEERN
Cn1cc([C@H]2CCN(C(=O)CCCCOc3cccc(C#N)c3)C2)cn1	ZINC000116116470	508473812	/nfs/dbraw/zinc/47/38/12/508473812.db2.gz	XLSZCNGAFSYHFX-KRWDZBQOSA-N	0	0	352.438	2.857	10	30		FFEERN
N#Cc1cc(Br)cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c1	ZINC000152624539	508481342	/nfs/dbraw/zinc/48/13/42/508481342.db2.gz	VBNGKANJDNGAQZ-VXGBXAGGSA-N	0	0	355.257	2.741	10	30		FFEERN
C=CCn1c(C)nnc1S(=O)(=O)[C@@H](C)c1ncc(-c2ccccc2)o1	ZINC000156872632	508490164	/nfs/dbraw/zinc/49/01/64/508490164.db2.gz	ZAMQLQYPEAQVSR-LBPRGKRZSA-N	0	0	358.423	2.962	10	30		FFEERN
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](c3cnn(C)c3)C2)c1	ZINC000116315053	508498283	/nfs/dbraw/zinc/49/82/83/508498283.db2.gz	PMAMTIPGOYDNLT-SFHVURJKSA-N	0	0	365.481	2.773	10	30		FFEERN
C=C(C)COCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1	ZINC000136119102	508671713	/nfs/dbraw/zinc/67/17/13/508671713.db2.gz	OJDCVADLYNRUCW-QGZVFWFLSA-N	0	0	372.490	2.798	10	30		FFEERN
COc1ccc([C@H]2C[C@@H](C)N(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)cc1	ZINC000119124741	508730425	/nfs/dbraw/zinc/73/04/25/508730425.db2.gz	QQLVESXVPVDRAM-PBHICJAKSA-N	0	0	363.417	2.910	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)c1nnc2n1CCCC2	ZINC000129487409	508732471	/nfs/dbraw/zinc/73/24/71/508732471.db2.gz	MXLYJOLSNIWNBH-ZDUSSCGKSA-N	0	0	356.426	2.679	10	30		FFEERN
N#Cc1ccccc1NC(=O)CCCC(=O)N1CCO[C@H]2CCCC[C@H]21	ZINC000151098210	508955818	/nfs/dbraw/zinc/95/58/18/508955818.db2.gz	QMBIYKKQEHRLJB-MSOLQXFVSA-N	0	0	355.438	2.837	10	30		FFEERN
C[C@H](C#N)NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1	ZINC000125261678	508956360	/nfs/dbraw/zinc/95/63/60/508956360.db2.gz	XTJAEFPIEHGGRC-SECBINFHSA-N	0	0	362.183	2.936	10	30		FFEERN
COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000151141821	508965339	/nfs/dbraw/zinc/96/53/39/508965339.db2.gz	HMRDBFJIEPZYKO-JKSUJKDBSA-N	0	0	368.441	2.604	10	30		FFEERN
COc1cc(I)c(Cl)cc1C(=O)N[C@H](C)C#N	ZINC000125368222	508972614	/nfs/dbraw/zinc/97/26/14/508972614.db2.gz	RDAAIDHBOZWCTF-ZCFIWIBFSA-N	0	0	364.570	2.595	10	30		FFEERN
CCn1cc(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)cn1	ZINC000160458082	508989817	/nfs/dbraw/zinc/98/98/17/508989817.db2.gz	JBSWNIQJDXPAKS-UHFFFAOYSA-N	0	0	351.454	2.983	10	30		FFEERN
Cc1noc([C@@H]2COCCN2Cc2ccc(C#N)cc2Br)n1	ZINC000160892597	509044197	/nfs/dbraw/zinc/04/41/97/509044197.db2.gz	SUTWMZOHSGCRSW-AWEZNQCLSA-N	0	0	363.215	2.586	10	30		FFEERN
CCCn1cc(CN2CCCN(c3nc(C)cc(C)c3C#N)CC2)cn1	ZINC000151953052	509117062	/nfs/dbraw/zinc/11/70/62/509117062.db2.gz	XQAIVSDOQTZTNN-UHFFFAOYSA-N	0	0	352.486	2.889	10	30		FFEERN
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCCC[C@H]1CO	ZINC000175912509	509212973	/nfs/dbraw/zinc/21/29/73/509212973.db2.gz	LBYVTWPPTRELSS-GOEBONIOSA-N	0	0	354.372	2.907	10	30		FFEERN
N#CCCCOc1cccnc1NC(=O)N1CCC(Cn2cccn2)CC1	ZINC000188774805	509256956	/nfs/dbraw/zinc/25/69/56/509256956.db2.gz	VQHCEUXULROGFS-UHFFFAOYSA-N	0	0	368.441	2.905	10	30		FFEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)COCc1ccccc1	ZINC000172956252	509323479	/nfs/dbraw/zinc/32/34/79/509323479.db2.gz	BUXJJZLOZKUTJG-AWEZNQCLSA-N	0	0	367.449	2.518	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1	ZINC000192138023	509365161	/nfs/dbraw/zinc/36/51/61/509365161.db2.gz	NTGSVYOTSWXUMI-GOSISDBHSA-N	0	0	369.425	2.779	10	30		FFEERN
N#CCCN(C(=O)CN1CCCC[C@H]1c1nc[nH]n1)c1cccc(Cl)c1	ZINC000182706396	509384319	/nfs/dbraw/zinc/38/43/19/509384319.db2.gz	FMPJDJOVHAKTCO-INIZCTEOSA-N	0	0	372.860	2.932	10	30		FFEERN
N#CCOc1ccc(C=CC(=O)NCCc2nc(-c3ccccc3)n[nH]2)cc1	ZINC000163759125	509419998	/nfs/dbraw/zinc/41/99/98/509419998.db2.gz	XMZNFCHBNCNXNC-DHZHZOJOSA-N	0	0	373.416	2.746	10	30		FFEERN
C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(-n2cncn2)cc1	ZINC000186015772	509480809	/nfs/dbraw/zinc/48/08/09/509480809.db2.gz	PALNRKATZZJJTO-AWEZNQCLSA-N	0	0	356.393	2.893	10	30		FFEERN
C[C@@H](CC(=O)N1CCCCCC1)Nc1cnn(-c2ncccc2C#N)c1	ZINC000186017814	509482388	/nfs/dbraw/zinc/48/23/88/509482388.db2.gz	QTUUNYIJWKQGNQ-HNNXBMFYSA-N	0	0	352.442	2.732	10	30		FFEERN
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]1c1cnn(C)c1	ZINC000173320067	509529902	/nfs/dbraw/zinc/52/99/02/509529902.db2.gz	WDVFUOJYRBETNT-VQIMIIECSA-N	0	0	351.454	2.892	10	30		FFEERN
Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2)N2CCOCC2)s1	ZINC000176553831	509580686	/nfs/dbraw/zinc/58/06/86/509580686.db2.gz	HPSKSYXQZYTIOO-QGZVFWFLSA-N	0	0	355.463	2.732	10	30		FFEERN
N#C[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)C1CCCCC1	ZINC000176577338	509592787	/nfs/dbraw/zinc/59/27/87/509592787.db2.gz	JMIKFLKDPNQKEL-GOSISDBHSA-N	0	0	354.454	2.522	10	30		FFEERN
Cc1cc(N2CCC[C@H](Nc3ccc4cc(C#N)ccc4n3)C2=O)n(C)n1	ZINC000179930562	509676751	/nfs/dbraw/zinc/67/67/51/509676751.db2.gz	GSGZONIIPZTBON-KRWDZBQOSA-N	0	0	360.421	2.756	10	30		FFEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)CC2	ZINC000180083189	509744010	/nfs/dbraw/zinc/74/40/10/509744010.db2.gz	SMXNNAAEYSWMGA-KBPBESRZSA-N	0	0	368.441	2.829	10	30		FFEERN
C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000180104906	509753948	/nfs/dbraw/zinc/75/39/48/509753948.db2.gz	FAIZDBVYXLJNFR-WBHUJUFNSA-N	0	0	372.371	2.938	10	30		FFEERN
C[C@@H](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N1CCCCC1=O	ZINC000193166910	509804248	/nfs/dbraw/zinc/80/42/48/509804248.db2.gz	XQUOKSMXYSGTLJ-INIZCTEOSA-N	0	0	369.465	2.719	10	30		FFEERN
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[C@@H](N2CCOCC2)C1	ZINC000173975933	509884632	/nfs/dbraw/zinc/88/46/32/509884632.db2.gz	RHZFLQRAVQAWNO-CYBMUJFWSA-N	0	0	360.820	2.810	10	30		FFEERN
CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000174097609	509946653	/nfs/dbraw/zinc/94/66/53/509946653.db2.gz	JDXKOWVDTLQVOE-CYBMUJFWSA-N	0	0	354.332	2.662	10	30		FFEERN
C=CCOc1ccc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1OC	ZINC000190158555	509975451	/nfs/dbraw/zinc/97/54/51/509975451.db2.gz	KJTVDMJEICLJIE-HOTGVXAUSA-N	0	0	359.426	2.913	10	30		FFEERN
Cc1ccc(C=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1	ZINC000257354798	509981453	/nfs/dbraw/zinc/98/14/53/509981453.db2.gz	ZVWZMJVPXGPSMP-UHFFFAOYSA-N	0	0	350.465	2.828	10	30		FFEERN
CCOCCN1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@@H]1CC	ZINC000187068957	510037649	/nfs/dbraw/zinc/03/76/49/510037649.db2.gz	QZVAAVAHCSNNBG-IBGZPJMESA-N	0	0	355.482	2.549	10	30		FFEERN
CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000187114494	510065402	/nfs/dbraw/zinc/06/54/02/510065402.db2.gz	KPZVCTZZVDITGG-GOSISDBHSA-N	0	0	361.449	2.507	10	30		FFEERN
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)C1	ZINC000183997321	510079363	/nfs/dbraw/zinc/07/93/63/510079363.db2.gz	ZPOIRRSHGSXUCC-DYESRHJHSA-N	0	0	369.465	2.811	10	30		FFEERN
Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3nccs3)C2)c1C#N	ZINC000177513251	510107321	/nfs/dbraw/zinc/10/73/21/510107321.db2.gz	KNGUMFYZPPGORW-CYBMUJFWSA-N	0	0	354.435	2.668	10	30		FFEERN
C=CC[C@@]1(C(=O)NC2CCC(O)CC2)CCCN1C(=O)OC(C)(C)C	ZINC000190402368	510110571	/nfs/dbraw/zinc/11/05/71/510110571.db2.gz	CNXFPOYXOIPIIU-ZOJXTTQQSA-N	0	0	352.475	2.752	10	30		FFEERN
N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCCn4ncnc43)c2)c1	ZINC000177558658	510133670	/nfs/dbraw/zinc/13/36/70/510133670.db2.gz	GKKCDLLXDDTODW-LJQANCHMSA-N	0	0	373.416	2.994	10	30		FFEERN
C=C(C)[C@H](NC(=O)NC[C@@H](C)N1CCOCC1)c1ccc(F)c(F)c1	ZINC000187333479	510200918	/nfs/dbraw/zinc/20/09/18/510200918.db2.gz	AEPKJFYGUNWRMR-DYVFJYSZSA-N	0	0	353.413	2.602	10	30		FFEERN
COC(=O)NC(C)(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	ZINC000171529659	510210812	/nfs/dbraw/zinc/21/08/12/510210812.db2.gz	YXDYLLCCHRKZKB-UHFFFAOYSA-N	0	0	358.423	2.679	10	30		FFEERN
N#Cc1ccc(NC(=O)CN2CC[C@H](CNc3ccccn3)C2)cc1Cl	ZINC000171646704	510275941	/nfs/dbraw/zinc/27/59/41/510275941.db2.gz	RIMVPYKGQWDZBW-CQSZACIVSA-N	0	0	369.856	2.979	10	30		FFEERN
CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2F)C12CCCC2	ZINC000190819694	510358185	/nfs/dbraw/zinc/35/81/85/510358185.db2.gz	PGGAVDCYSSPHBP-DLBZAZTESA-N	0	0	373.428	2.832	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCCC[C@H](N3CCN(C)CC3)C2)c1C	ZINC000174889180	510368678	/nfs/dbraw/zinc/36/86/78/510368678.db2.gz	ZJEFPYVSTUGRDS-FQEVSTJZSA-N	0	0	372.557	2.576	10	30		FFEERN
COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(COc2ccccc2C#N)o1	ZINC000187686805	510386321	/nfs/dbraw/zinc/38/63/21/510386321.db2.gz	RCDLGFVIMVURCH-HXUWFJFHSA-N	0	0	368.389	2.898	10	30		FFEERN
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccco1	ZINC000181805348	510603638	/nfs/dbraw/zinc/60/36/38/510603638.db2.gz	ZAOIARXTZLQSRD-UKRRQHHQSA-N	0	0	353.378	2.873	10	30		FFEERN
CCOC(=O)C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1C	ZINC000175363068	510609316	/nfs/dbraw/zinc/60/93/16/510609316.db2.gz	OFRSXTVWVNHFHT-GOSISDBHSA-N	0	0	372.446	2.840	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1	ZINC000175506000	510666396	/nfs/dbraw/zinc/66/63/96/510666396.db2.gz	ABTJAVGQZLIKSU-MUPIXQSSSA-N	0	0	370.449	2.789	10	30		FFEERN
Cn1cc(C#N)cc1C(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000178829532	510793908	/nfs/dbraw/zinc/79/39/08/510793908.db2.gz	NNVNLKKUBNLABR-HUUCEWRRSA-N	0	0	363.339	2.864	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N1CC[C@@H](Oc2ccncc2)C1	ZINC000329937455	510882377	/nfs/dbraw/zinc/88/23/77/510882377.db2.gz	DPWZLRPOCSPVHD-GUDVDZBRSA-N	0	0	353.422	2.979	10	30		FFEERN
O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@H]1CCOc2ccccc21	ZINC000329966072	510889063	/nfs/dbraw/zinc/88/90/63/510889063.db2.gz	VLSAFHWZPOZHPY-DZKIICNBSA-N	0	0	356.401	2.916	10	30		FFEERN
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[C@@H](Oc2ccccn2)C1	ZINC000330061648	510909013	/nfs/dbraw/zinc/90/90/13/510909013.db2.gz	ONERRWGMWBFAGJ-OAGGEKHMSA-N	0	0	360.458	2.984	10	30		FFEERN
Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCO[C@@H]3c3cccnc3)C2)nn1	ZINC000330105228	510916675	/nfs/dbraw/zinc/91/66/75/510916675.db2.gz	JJWKTJWJCBQDSM-ZIFCJYIRSA-N	0	0	367.453	2.883	10	30		FFEERN
CCOc1cc2c(cc1NC(=O)N1CCC[C@H](c3nnc[nH]3)C1)O[C@H](C)C2	ZINC000330144714	510925064	/nfs/dbraw/zinc/92/50/64/510925064.db2.gz	RVQVXDORJPJANA-OLZOCXBDSA-N	0	0	371.441	2.952	10	30		FFEERN
N#C[C@@H]1CN(C(=O)NC2CCN(C(=O)C3CC3)CC2)C[C@H]1c1ccccc1	ZINC000330170659	510929639	/nfs/dbraw/zinc/92/96/39/510929639.db2.gz	DWAZPGMMHIZPJJ-MJGOQNOKSA-N	0	0	366.465	2.541	10	30		FFEERN
CC(C)(C)N1C[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1=O	ZINC000330194749	510934186	/nfs/dbraw/zinc/93/41/86/510934186.db2.gz	OWNDROZLQQIZME-ZACQAIPSSA-N	0	0	354.454	2.539	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F	ZINC000330269123	510951981	/nfs/dbraw/zinc/95/19/81/510951981.db2.gz	RRTFPADTTQFVAX-FKGLVLAHSA-N	0	0	358.360	2.905	10	30		FFEERN
C[C@H]1CCCc2nc(S(=O)(=O)N3C[C@@H](c4ccccc4)[C@H](C#N)C3)cn21	ZINC000333227970	511182177	/nfs/dbraw/zinc/18/21/77/511182177.db2.gz	XTCRDRYKMKCRDY-UAGQMJEPSA-N	0	0	370.478	2.708	10	30		FFEERN
N#Cc1cc(F)cc(I)c1I	ZINC000306791377	511764285	/nfs/dbraw/zinc/76/42/85/511764285.db2.gz	XMJARVXNRLQUAU-UHFFFAOYSA-N	0	0	372.906	2.907	10	30		FFEERN
COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)NCC(C)(C)N1CCOCC1)CCO2	ZINC000328605082	511891275	/nfs/dbraw/zinc/89/12/75/511891275.db2.gz	MHKAZFRZQAIPTB-DYESRHJHSA-N	0	0	374.481	2.803	10	30		FFEERN
CC(C)c1nc2c(n1C)CCN(C(=O)NC[C@H]1CCCn3ccnc31)C2	ZINC000328606662	511892324	/nfs/dbraw/zinc/89/23/24/511892324.db2.gz	KOSHLQNQPSEXQK-CQSZACIVSA-N	0	0	356.474	2.590	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)CCC2	ZINC000328645287	511905563	/nfs/dbraw/zinc/90/55/63/511905563.db2.gz	ATSIXNUQUZYMJN-KBPBESRZSA-N	0	0	364.515	2.973	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCN(C)C[C@H]1c1ccccc1)CCC2	ZINC000328698235	511916636	/nfs/dbraw/zinc/91/66/36/511916636.db2.gz	HLTNIMSTAWRNMV-OALUTQOASA-N	0	0	367.497	2.972	10	30		FFEERN
C[C@H](NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1ccc2c(c1)OCO2	ZINC000328840466	511939219	/nfs/dbraw/zinc/93/92/19/511939219.db2.gz	OWFMNSZTORPLKG-WCQYABFASA-N	0	0	351.424	2.648	10	30		FFEERN
C[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1nccn1C)N1CCc2ccccc21	ZINC000328923707	511951503	/nfs/dbraw/zinc/95/15/03/511951503.db2.gz	DBIDIVJYRSVNAY-QGPMSJSTSA-N	0	0	354.454	2.905	10	30		FFEERN
C[C@@H]1CC[C@H](C(=O)Nc2n[nH]c3ccc(NC(=O)[C@@H]4CC[C@@H](C)O4)cc32)O1	ZINC000328944209	511955186	/nfs/dbraw/zinc/95/51/86/511955186.db2.gz	ANNBPJIGHVSFSI-NSLUBLRVSA-N	0	0	372.425	2.646	10	30		FFEERN
CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000328968687	511958383	/nfs/dbraw/zinc/95/83/83/511958383.db2.gz	NWVPLTSQCCOFGJ-SQWLQELKSA-N	0	0	372.473	2.667	10	30		FFEERN
C[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1	ZINC000329179904	512000494	/nfs/dbraw/zinc/00/04/94/512000494.db2.gz	MWGDFUWCYOKVNL-NPNMTCQASA-N	0	0	373.501	2.697	10	30		FFEERN
CC(C)C[C@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1	ZINC000329195574	512002146	/nfs/dbraw/zinc/00/21/46/512002146.db2.gz	UJCWJJNKTUZVCV-OKZBNKHCSA-N	0	0	364.511	2.849	10	30		FFEERN
COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000329207486	512004753	/nfs/dbraw/zinc/00/47/53/512004753.db2.gz	FFTFSVIUZVNVNB-DZJNRPSUSA-N	0	0	362.470	2.840	10	30		FFEERN
O=C(CN1CCn2c(nnc2C2CC2)C1)Nc1nc2c(s1)CCCC2	ZINC000329204516	512004866	/nfs/dbraw/zinc/00/48/66/512004866.db2.gz	YYFCMYBOYVRECE-UHFFFAOYSA-N	0	0	358.471	2.595	10	30		FFEERN
COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCOC[C@@H]1[C@H]1CCCO1	ZINC000329242711	512012464	/nfs/dbraw/zinc/01/24/64/512012464.db2.gz	AHZPTCVSZACFOG-IPMKNSEASA-N	0	0	360.454	2.866	10	30		FFEERN
C[C@@H]1CCC[C@H](N(C)C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1	ZINC000329535491	512066337	/nfs/dbraw/zinc/06/63/37/512066337.db2.gz	ZKBAPGBRRMMXME-PSFFPDNBSA-N	0	0	373.501	2.649	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3COc4ccccc4O3)C2)nn1	ZINC000329613880	512076925	/nfs/dbraw/zinc/07/69/25/512076925.db2.gz	RXACLADHEHXOSG-WMLDXEAASA-N	0	0	354.410	2.550	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N3CC4(CCC4)[C@@H]3C3CC3)C2)nn1	ZINC000329617478	512077703	/nfs/dbraw/zinc/07/77/03/512077703.db2.gz	FWRRSDFSEGYZBE-WMZOPIPTSA-N	0	0	355.486	2.932	10	30		FFEERN
Cc1nnc([C@@H]2CN(CC(=O)N[C@H]3CCCc4ccccc43)CCO2)[nH]1	ZINC000329613086	512077796	/nfs/dbraw/zinc/07/77/96/512077796.db2.gz	DTWIZNNNTZHXAR-IRXDYDNUSA-N	0	0	355.442	2.521	10	30		FFEERN
C[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(Br)cn1	ZINC000329807723	512099837	/nfs/dbraw/zinc/09/98/37/512099837.db2.gz	BLEWAXSVPAGVFN-IRUJWGPZSA-N	0	0	367.247	2.870	10	30		FFEERN
Cc1nnc([C@H]2CC23CCN(C(=O)c2c(F)cc(C#N)cc2F)CC3)o1	ZINC000370338113	512883781	/nfs/dbraw/zinc/88/37/81/512883781.db2.gz	YTZMFESQNJYWDO-GFCCVEGCSA-N	0	0	358.348	2.938	10	30		FFEERN
N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1	ZINC000408334943	513046082	/nfs/dbraw/zinc/04/60/82/513046082.db2.gz	ROJNORWETBOVOA-GDBMZVCRSA-N	0	0	350.422	2.545	10	30		FFEERN
CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1	ZINC000033786764	517309707	/nfs/dbraw/zinc/30/97/07/517309707.db2.gz	YZBHEOUDSIPQKC-MFOYZWKCSA-N	0	0	368.802	2.732	10	30		FFEERN
COC(=O)Cc1c(C#N)c(I)ccc1C(F)F	ZINC000575389262	518208626	/nfs/dbraw/zinc/20/86/26/518208626.db2.gz	INDQEXKTOZRXLR-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
CCOC(=O)/C=N/[S@@](=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000584611063	518414356	/nfs/dbraw/zinc/41/43/56/518414356.db2.gz	MNOQSFWFAAAFIK-ZGCPUTISSA-N	0	0	367.189	2.710	10	30		FFEERN
CC1(C)CN(C(=O)c2cnccc2C#N)C[C@H](COc2ccccc2)O1	ZINC000571813843	519288492	/nfs/dbraw/zinc/28/84/92/519288492.db2.gz	UDVWHXHVUGVHEH-QGZVFWFLSA-N	0	0	351.406	2.652	10	30		FFEERN
C[C@@H]1C(c2cccs2)=[N+]([O-])[C@@](C)(C(=O)c2ccc(Cl)cc2)N1O	ZINC000575330091	519593191	/nfs/dbraw/zinc/59/31/91/519593191.db2.gz	JGFIEPUHZULZGF-PEQLZTKXSA-N	0	0	351.835	2.690	10	30		FFEERN
C=CCO[C@@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H](OC)[C@H]1OCC=C	ZINC000616587452	520069207	/nfs/dbraw/zinc/06/92/07/520069207.db2.gz	FMKYMGOFTWEBLP-CPPNMTBBSA-N	0	0	362.422	2.614	10	30		FFEERN
N#CC1(C(=O)NC[C@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)CCCC1	ZINC000600393998	520237499	/nfs/dbraw/zinc/23/74/99/520237499.db2.gz	XWFVMTWHXYGODB-MRXNPFEDSA-N	0	0	356.470	2.509	10	30		FFEERN
O=C(Nc1ccsc1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1	ZINC000328630230	527503493	/nfs/dbraw/zinc/50/34/93/527503493.db2.gz	PQDTXUDGCAPXLQ-OAHLLOKOSA-N	0	0	359.455	2.757	10	30		FFEERN
C#CCN(C(=O)CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000104312626	728501638	/nfs/dbraw/zinc/50/16/38/728501638.db2.gz	MPFRVOFSKNYWIA-CYBMUJFWSA-N	0	0	374.289	2.575	10	30		FFEERN
CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000109291159	728525843	/nfs/dbraw/zinc/52/58/43/728525843.db2.gz	KTOVNQJZYWPAOP-STQMWFEESA-N	0	0	358.250	2.596	10	30		FFEERN
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1	ZINC000177626657	729140841	/nfs/dbraw/zinc/14/08/41/729140841.db2.gz	STBIOYYLRBPBST-RYUDHWBXSA-N	0	0	363.380	2.984	10	30		FFEERN
COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl	ZINC000246533987	729587605	/nfs/dbraw/zinc/58/76/05/729587605.db2.gz	AXKOKFJEHBEQGS-QJPTWQEYSA-N	0	0	355.221	2.568	10	30		FFEERN
N#Cc1ccccc1N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000255849968	729647668	/nfs/dbraw/zinc/64/76/68/729647668.db2.gz	ZBGRPWMKJSZVJK-GDNBJRDFSA-N	0	0	353.447	2.681	10	30		FFEERN
CCc1nc(CN2CCN(C(=O)N[C@H](C)C[C@H]3CCCO3)CC2)cs1	ZINC000328779371	729795128	/nfs/dbraw/zinc/79/51/28/729795128.db2.gz	UBMJADRRZRNREW-GDBMZVCRSA-N	0	0	366.531	2.695	10	30		FFEERN
C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1	ZINC000329000494	729795918	/nfs/dbraw/zinc/79/59/18/729795918.db2.gz	VRNLYSAOMXFYHQ-TVQRCGJNSA-N	0	0	362.821	2.506	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)NC2CCN(C(=O)C3CC3)CC2)cs1	ZINC000330192460	729800355	/nfs/dbraw/zinc/80/03/55/729800355.db2.gz	XYWJMNUZOPVVGO-INIZCTEOSA-N	0	0	362.499	2.903	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNc2ccc(Cl)cc2C#N)C1	ZINC000702764216	734356590	/nfs/dbraw/zinc/35/65/90/734356590.db2.gz	AMSRGIVWONRIJL-WFASDCNBSA-N	0	0	351.834	2.851	10	30		FFEERN
CC(C)[C@@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1	ZINC000588499527	845970625	/nfs/dbraw/zinc/97/06/25/845970625.db2.gz	OYNCQUCIAVRBMQ-ZULLKSRKSA-N	0	0	363.483	2.730	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3cccc(F)c3)cc2C1=O	ZINC000007579512	1013172139	/nfs/dbraw/zinc/17/21/39/1013172139.db2.gz	ZEYZHQMBPPKCJR-UHFFFAOYSA-N	0	0	367.332	2.647	10	30		FFEERN
O=C(Nc1cccc(N2CCCCC2=O)c1)N1CCc2cncnc2C1	ZINC000329275338	967605797	/nfs/dbraw/zinc/60/57/97/967605797.db2.gz	JTSHSSPMIBUPRH-UHFFFAOYSA-N	0	0	351.410	2.597	10	30		FFEERN
C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCCN(C(=O)CC2CCCC2)CC1	ZINC000329336509	967649020	/nfs/dbraw/zinc/64/90/20/967649020.db2.gz	YAWAHOHFUHTRRM-AEFFLSMTSA-N	0	0	365.518	2.973	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCO[C@H](c3ccccc3)C1)CC2	ZINC000329467350	967734171	/nfs/dbraw/zinc/73/41/71/967734171.db2.gz	WCQSEHDDSSHYCM-SJORKVTESA-N	0	0	369.469	2.704	10	30		FFEERN
COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ncon3)cc2)cc1	ZINC000107409484	1005438459	/nfs/dbraw/zinc/43/84/59/1005438459.db2.gz	FAHBFTCRBZWLIW-INIZCTEOSA-N	0	0	362.345	2.706	10	30		FFEERN
C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C)[C@H]1CC[C@]21O[C@H]1CO	ZINC000261493295	223075843	/nfs/dbraw/zinc/07/58/43/223075843.db2.gz	OVQVCDLENXCQBC-IPERWWKSSA-N	0	0	350.499	2.635	10	30		FFEERN
C#CCNC(=O)[C@H](C)Nc1ccc(Br)cc1Br	ZINC000049163872	221021233	/nfs/dbraw/zinc/02/12/33/221021233.db2.gz	QPUMLENLWAGTLR-QMMMGPOBSA-N	0	0	360.049	2.761	10	30		FFEERN
CCN1c2ccccc2C(=O)NC12CCN(C(=O)c1ccc(C#N)cc1)CC2	ZINC000065235124	221183946	/nfs/dbraw/zinc/18/39/46/221183946.db2.gz	PKQNVJINQSRRDV-UHFFFAOYSA-N	0	0	374.444	2.760	10	30		FFEERN
CCCCCS(=O)(=O)N1CCN(c2cc(C#N)nc3ccccc32)CC1	ZINC000301400606	258047549	/nfs/dbraw/zinc/04/75/49/258047549.db2.gz	PUNTYSCZLYGCIN-UHFFFAOYSA-N	0	0	372.494	2.748	10	30		FFEERN
N#Cc1nc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-]	ZINC000302739962	258109531	/nfs/dbraw/zinc/10/95/31/258109531.db2.gz	QSATYKYCMSYKLY-CQSZACIVSA-N	0	0	352.350	2.974	10	30		FFEERN
CCOC(=O)CN1CCCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1	ZINC000301584488	258057287	/nfs/dbraw/zinc/05/72/87/258057287.db2.gz	QUYQIKVAKHXROC-UHFFFAOYSA-N	0	0	372.856	2.835	10	30		FFEERN
COC(=O)[C@H](O)C1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1	ZINC000301768266	258066646	/nfs/dbraw/zinc/06/66/46/258066646.db2.gz	IRPBARACYWAUQL-QGZVFWFLSA-N	0	0	359.813	2.510	10	30		FFEERN
Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1	ZINC000329001237	258126427	/nfs/dbraw/zinc/12/64/27/258126427.db2.gz	VVYMFHJVLWHZLE-SJORKVTESA-N	0	0	356.857	2.978	10	30		FFEERN
Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@H](N2CCOCC2)[C@H]1C	ZINC000329734930	258146069	/nfs/dbraw/zinc/14/60/69/258146069.db2.gz	RSMRLWBSFJYSEV-RDTXWAMCSA-N	0	0	354.429	2.853	10	30		FFEERN
C[C@@]12CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C[C@@H]1[C@@H]1CC[C@H]2C1	ZINC000333126718	258251219	/nfs/dbraw/zinc/25/12/19/258251219.db2.gz	WCJYNXCNUOWYQM-ZHRONYKTSA-N	0	0	352.406	2.893	10	30		FFEERN
COC(=O)c1ccc(I)c(OC(F)(F)F)c1C#N	ZINC000575392586	518209508	/nfs/dbraw/zinc/20/95/08/518209508.db2.gz	RTGACQAGWVCISF-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
Cc1cc2n(n1)c1ccccc1c(=O)n2CC(=O)Nc1sccc1C#N	ZINC000032909159	506311021	/nfs/dbraw/zinc/31/10/21/506311021.db2.gz	YCBXOTBKSFTSPJ-UHFFFAOYSA-N	0	0	363.402	2.530	10	30		FFEERN
N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2)c1N	ZINC000066239817	506456097	/nfs/dbraw/zinc/45/60/97/506456097.db2.gz	ARZSJEXIMMGVAJ-KRWDZBQOSA-N	0	0	359.389	2.580	10	30		FFEERN
C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCCN(c2ncccc2C#N)CC1	ZINC000066437732	506518242	/nfs/dbraw/zinc/51/82/42/506518242.db2.gz	ROGZPLZADFPBGR-LMMKCTJWSA-N	0	0	369.513	2.549	10	30		FFEERN
N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1CCCO	ZINC000007006986	506525644	/nfs/dbraw/zinc/52/56/44/506525644.db2.gz	KEXFQBMBEDUJQG-UHFFFAOYSA-N	0	0	351.431	2.943	10	30		FFEERN
C=CCn1c2nnc(SCCc3ccccn3)n2c2ccccc2c1=O	ZINC000007033341	506527183	/nfs/dbraw/zinc/52/71/83/506527183.db2.gz	PVXCTGPHOVRNME-UHFFFAOYSA-N	0	0	363.446	2.960	10	30		FFEERN
C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1ccc2c(c1)OCCO2	ZINC000042143186	506602250	/nfs/dbraw/zinc/60/22/50/506602250.db2.gz	QBWYGMNAQCODQV-KGLIPLIRSA-N	0	0	352.390	2.974	10	30		FFEERN
COc1cc(/C=C/C(=O)N[C@H]2COc3ccccc32)ccc1OCC#N	ZINC000058726634	507456625	/nfs/dbraw/zinc/45/66/25/507456625.db2.gz	QWIXDDDUSJOFHU-DYLHUKMJSA-N	0	0	350.374	2.861	10	30		FFEERN
O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000029388396	507776784	/nfs/dbraw/zinc/77/67/84/507776784.db2.gz	RJYZHLWKVMIXIL-LLVKDONJSA-N	0	0	367.331	2.503	10	30		FFEERN
N#C[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)C1CC1	ZINC000108827774	507920617	/nfs/dbraw/zinc/92/06/17/507920617.db2.gz	ACZWVTRNEQZKJE-HKUYNNGSSA-N	0	0	361.401	2.661	10	30		FFEERN
N#C[C@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)C1CC1	ZINC000108834247	507921254	/nfs/dbraw/zinc/92/12/54/507921254.db2.gz	MXXSSEQYGTYLJS-AWEZNQCLSA-N	0	0	351.328	2.864	10	30		FFEERN
N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@@H]1CCc2ncnn2C1	ZINC000108948164	507927649	/nfs/dbraw/zinc/92/76/49/507927649.db2.gz	ISVXEZGDIJSAFZ-LLVKDONJSA-N	0	0	356.336	2.726	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)c1ccc(-n2cnnn2)cc1Cl	ZINC000110423866	508027003	/nfs/dbraw/zinc/02/70/03/508027003.db2.gz	YZIKNOXGDZFZAQ-UHFFFAOYSA-N	0	0	369.812	2.811	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N1CCO[C@H](c2nccs2)C1	ZINC000111885878	508134005	/nfs/dbraw/zinc/13/40/05/508134005.db2.gz	BUKPVZKTBVAWDX-INIZCTEOSA-N	0	0	359.451	2.991	10	30		FFEERN
C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCn3nc(C)nc32)cc1OC	ZINC000081581769	508192904	/nfs/dbraw/zinc/19/29/04/508192904.db2.gz	QNBCABYUQRJASS-XAVKZTDYSA-N	0	0	368.437	2.824	10	30		FFEERN
Cc1cccc(N2CCC(NS(=O)(=O)c3ccc(C#N)cc3C)CC2)n1	ZINC000077392357	508310530	/nfs/dbraw/zinc/31/05/30/508310530.db2.gz	AUUDXGSKBIGMRR-UHFFFAOYSA-N	0	0	370.478	2.517	10	30		FFEERN
CN(C)c1ccccc1NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000114568922	508326855	/nfs/dbraw/zinc/32/68/55/508326855.db2.gz	GAVQNLCETMZOQK-GOSISDBHSA-N	0	0	363.465	2.994	10	30		FFEERN
C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1	ZINC000077747337	508365433	/nfs/dbraw/zinc/36/54/33/508365433.db2.gz	AFJCRVQXPOZNDX-LIRRHRJNSA-N	0	0	363.417	2.795	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c1C	ZINC000106201841	508398034	/nfs/dbraw/zinc/39/80/34/508398034.db2.gz	XLIFVBBMEWOGEJ-LJQANCHMSA-N	0	0	370.497	2.688	10	30		FFEERN
C=C[C@H](CC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1)c1ccccc1	ZINC000133569660	508418326	/nfs/dbraw/zinc/41/83/26/508418326.db2.gz	BSBUDNXHWBQJGP-DOTOQJQBSA-N	0	0	354.454	2.943	10	30		FFEERN
C=CCc1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc(OC)c1OC	ZINC000127492261	508458426	/nfs/dbraw/zinc/45/84/26/508458426.db2.gz	CFNSQPBDWZYCSG-OAHLLOKOSA-N	0	0	370.453	2.576	10	30		FFEERN
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000116112072	508473497	/nfs/dbraw/zinc/47/34/97/508473497.db2.gz	LEJBJRKDRCIINM-LPHOPBHVSA-N	0	0	352.438	2.711	10	30		FFEERN
N#Cc1ccccc1S(=O)(=O)N1CCC(Nc2ccccc2F)CC1	ZINC000122307667	508515602	/nfs/dbraw/zinc/51/56/02/508515602.db2.gz	SCSWWXWWBUJMOP-UHFFFAOYSA-N	0	0	359.426	2.963	10	30		FFEERN
Cc1nc(CN2CCCN(Cc3cnc4ccc(C#N)cn34)CC2)cs1	ZINC000157238841	508541367	/nfs/dbraw/zinc/54/13/67/508541367.db2.gz	DBZJMNPYMOUJAK-UHFFFAOYSA-N	0	0	366.494	2.679	10	30		FFEERN
C[C@H](c1ccc(C#N)cc1)N1CCN(C[C@@H](O)COc2ccccc2)CC1	ZINC000118398537	508649508	/nfs/dbraw/zinc/64/95/08/508649508.db2.gz	QBWHXVDATTVLIV-WIYYLYMNSA-N	0	0	365.477	2.677	10	30		FFEERN
COc1cc(/C=C/C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)ccc1OCC#N	ZINC000123461088	508690984	/nfs/dbraw/zinc/69/09/84/508690984.db2.gz	BYYJKEWVCXQQDJ-OGKYNHGMSA-N	0	0	356.422	2.685	10	30		FFEERN
N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1	ZINC000123882733	508753003	/nfs/dbraw/zinc/75/30/03/508753003.db2.gz	AWWHQWXXKWGJNC-WOJBJXKFSA-N	0	0	370.474	2.976	10	30		FFEERN
Cc1csc(C2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)n1	ZINC000137502156	508758632	/nfs/dbraw/zinc/75/86/32/508758632.db2.gz	LUIZLLSKXVUCLT-UHFFFAOYSA-N	0	0	354.431	2.938	10	30		FFEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3c(F)cc(C#N)cc3F)C2)n1	ZINC000155241674	508956614	/nfs/dbraw/zinc/95/66/14/508956614.db2.gz	KCJHDTUZHCLHGE-ZDUSSCGKSA-N	0	0	359.380	2.597	10	30		FFEERN
N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCCc2cc(F)ccc21	ZINC000155357353	508984748	/nfs/dbraw/zinc/98/47/48/508984748.db2.gz	FGXUPDVHCYNYKL-KRWDZBQOSA-N	0	0	355.344	2.969	10	30		FFEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](Oc1ccccc1C#N)C(C)C	ZINC000151271968	508990374	/nfs/dbraw/zinc/99/03/74/508990374.db2.gz	BFBYTYACEVYWMM-CRAIPNDOSA-N	0	0	367.453	2.767	10	30		FFEERN
CCc1noc([C@@H](C)N2CCN(CCCOc3cccc(C#N)c3)CC2)n1	ZINC000156188304	509141607	/nfs/dbraw/zinc/14/16/07/509141607.db2.gz	YUDDFAFUNIFVFR-MRXNPFEDSA-N	0	0	369.469	2.651	10	30		FFEERN
C=C(C)[C@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccc(F)c(F)c1	ZINC000185454030	509184995	/nfs/dbraw/zinc/18/49/95/509184995.db2.gz	JNRJTQYSEOSLNP-YJBOKZPZSA-N	0	0	365.424	2.698	10	30		FFEERN
COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(C#N)c(C)n2)C1	ZINC000178925386	509185689	/nfs/dbraw/zinc/18/56/89/509185689.db2.gz	ULPIEFHFCASTAW-ROUUACIJSA-N	0	0	363.417	2.681	10	30		FFEERN
C=CCNC(=O)CNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl	ZINC000185569308	509242509	/nfs/dbraw/zinc/24/25/09/509242509.db2.gz	GTASYVDWPZOMFO-XJKSGUPXSA-N	0	0	371.264	2.880	10	30		FFEERN
CC(C)(C)OC(=O)N1CCC[C@@H]1CN(C(=O)c1c[nH]c(C#N)c1)C1CC1	ZINC000191933893	509252213	/nfs/dbraw/zinc/25/22/13/509252213.db2.gz	GGPRGOPZMIBPPE-MRXNPFEDSA-N	0	0	358.442	2.890	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)C1CCN(Cc2cc(C#N)ccc2F)CC1	ZINC000191980166	509275445	/nfs/dbraw/zinc/27/54/45/509275445.db2.gz	CLVGUYNCMZZUNE-UHFFFAOYSA-N	0	0	361.461	2.935	10	30		FFEERN
CCOc1cc(C)nc(N2CCN(Cc3ccc(C#N)c(F)c3)CC2)n1	ZINC000192006359	509291112	/nfs/dbraw/zinc/29/11/12/509291112.db2.gz	KZHJNQTZLXAUPF-UHFFFAOYSA-N	0	0	355.417	2.517	10	30		FFEERN
C=CCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cnn(C)c1	ZINC000182577229	509314122	/nfs/dbraw/zinc/31/41/22/509314122.db2.gz	QWGCVRDIPIYVMG-MRXNPFEDSA-N	0	0	362.474	2.897	10	30		FFEERN
C[C@@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000172977212	509331941	/nfs/dbraw/zinc/33/19/41/509331941.db2.gz	QGPFJFINLPHPDY-ZDUSSCGKSA-N	0	0	371.824	2.872	10	30		FFEERN
CC[C@H]1C(c2ccccc2)=[N+]([O-])[C@](C)(C(=O)c2ccc(OC)cc2)N1O	ZINC000225404229	509371350	/nfs/dbraw/zinc/37/13/50/509371350.db2.gz	LVZDZMGPKWQUIU-FXAWDEMLSA-N	0	0	355.414	2.969	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)NCCCCC#N)C[C@H]21	ZINC000248575505	509374035	/nfs/dbraw/zinc/37/40/35/509374035.db2.gz	NFTVLJSRPAGCPZ-RRFJBIMHSA-N	0	0	350.463	2.625	10	30		FFEERN
C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1	ZINC000248591935	509379473	/nfs/dbraw/zinc/37/94/73/509379473.db2.gz	HGFWKQWEKRZCAQ-WDYCEAGBSA-N	0	0	362.470	2.548	10	30		FFEERN
Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2c2nc[nH]n2)c1C	ZINC000182705370	509382251	/nfs/dbraw/zinc/38/22/51/509382251.db2.gz	QXUYDQKIBZYILG-GOSISDBHSA-N	0	0	366.469	2.895	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000189109727	509414747	/nfs/dbraw/zinc/41/47/47/509414747.db2.gz	KPNVMYJPJYKBPH-QGZVFWFLSA-N	0	0	365.437	2.519	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(C)c2C#N)cs1	ZINC000189444095	509579093	/nfs/dbraw/zinc/57/90/93/509579093.db2.gz	ZEXFFSGJTFGTSK-INIZCTEOSA-N	0	0	354.435	2.934	10	30		FFEERN
C[C@@H]1CN([C@@H](CNC(=O)c2sccc2C#N)c2cccs2)CCO1	ZINC000176598864	509604133	/nfs/dbraw/zinc/60/41/33/509604133.db2.gz	RDYAMBAHFCRBEU-OCCSQVGLSA-N	0	0	361.492	2.873	10	30		FFEERN
C[C@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000173535787	509645652	/nfs/dbraw/zinc/64/56/52/509645652.db2.gz	JWMIVDXPTZPDRK-CYBMUJFWSA-N	0	0	371.824	2.872	10	30		FFEERN
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]1c1noc(C(C)C)n1	ZINC000173722706	509739753	/nfs/dbraw/zinc/73/97/53/509739753.db2.gz	SJBSMGZFSGMXCS-AWEZNQCLSA-N	0	0	360.439	2.899	10	30		FFEERN
CCC(=NNS(=O)(=O)c1cc(OC)ccc1OC)c1ccccc1O	ZINC000254793825	509910337	/nfs/dbraw/zinc/91/03/37/509910337.db2.gz	XFSOVFKFPLIYTJ-UHFFFAOYSA-N	0	0	364.423	2.502	10	30		FFEERN
C=CCOc1ccc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1OC	ZINC000190158612	509975259	/nfs/dbraw/zinc/97/52/59/509975259.db2.gz	KJTVDMJEICLJIE-HZPDHXFCSA-N	0	0	359.426	2.913	10	30		FFEERN
N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)c(F)c1	ZINC000245886689	510187115	/nfs/dbraw/zinc/18/71/15/510187115.db2.gz	BQLAFFKHNOBJPX-DOMZBBRYSA-N	0	0	368.405	2.749	10	30		FFEERN
Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)c1cccc(CC#N)c1	ZINC000184337221	510271725	/nfs/dbraw/zinc/27/17/25/510271725.db2.gz	PPFOYHMQURRIEO-SFHVURJKSA-N	0	0	351.381	2.514	10	30		FFEERN
C=CC[C@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1	ZINC000187464509	510283711	/nfs/dbraw/zinc/28/37/11/510283711.db2.gz	UTLARSFGHYFESD-KDOFPFPSSA-N	0	0	358.463	2.871	10	30		FFEERN
C=CCNC(=O)CNC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	ZINC000181199931	510297881	/nfs/dbraw/zinc/29/78/81/510297881.db2.gz	LNBGJLUACCDUIQ-GXFFZTMASA-N	0	0	356.253	2.698	10	30		FFEERN
CCCCN1CCOC[C@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000184475539	510343147	/nfs/dbraw/zinc/34/31/47/510343147.db2.gz	VVNROCWUFLSAFM-KRWDZBQOSA-N	0	0	368.399	2.674	10	30		FFEERN
C=CCNc1ncc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1	ZINC000178226967	510498312	/nfs/dbraw/zinc/49/83/12/510498312.db2.gz	OESAKCMGIPARRN-LLVKDONJSA-N	0	0	365.480	2.636	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000181610964	510500753	/nfs/dbraw/zinc/50/07/53/510500753.db2.gz	ZKCJQVMFMCXSRJ-AWEZNQCLSA-N	0	0	371.416	2.689	10	30		FFEERN
CCc1nc(C2(NC(=O)[C@H](C)Oc3ccccc3C#N)CCCC2)no1	ZINC000175143740	510503939	/nfs/dbraw/zinc/50/39/39/510503939.db2.gz	XEISGPVRYVUSDH-ZDUSSCGKSA-N	0	0	354.410	2.857	10	30		FFEERN
CCOC(=O)[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccc(Cl)cc1	ZINC000194759166	510514598	/nfs/dbraw/zinc/51/45/98/510514598.db2.gz	MZDHAOCPIWHNRT-INIZCTEOSA-N	0	0	358.781	2.951	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000188083575	510584347	/nfs/dbraw/zinc/58/43/47/510584347.db2.gz	VHEWGIHQYYGOOI-QGZVFWFLSA-N	0	0	367.453	2.851	10	30		FFEERN
CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000175338545	510596394	/nfs/dbraw/zinc/59/63/94/510596394.db2.gz	WKQXTKCRMLEFLV-LJQANCHMSA-N	0	0	356.514	2.966	10	30		FFEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)c1cccc(SCC#N)c1)CC2	ZINC000175713119	510748229	/nfs/dbraw/zinc/74/82/29/510748229.db2.gz	HTPKAWVAMFVDBW-AWEZNQCLSA-N	0	0	355.467	2.762	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1C	ZINC000172591780	510810970	/nfs/dbraw/zinc/81/09/70/510810970.db2.gz	QOKVYAVENUTCEV-INIZCTEOSA-N	0	0	358.467	2.743	10	30		FFEERN
N#CC1(C(=O)NC[C@@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)CCCC1	ZINC000175838461	510816454	/nfs/dbraw/zinc/81/64/54/510816454.db2.gz	XWFVMTWHXYGODB-INIZCTEOSA-N	0	0	356.470	2.509	10	30		FFEERN
Cn1ccnc1[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCN1C	ZINC000329985510	510894259	/nfs/dbraw/zinc/89/42/59/510894259.db2.gz	DIOIPVNBDFZXSJ-MJBXVCDLSA-N	0	0	373.423	2.744	10	30		FFEERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](C)NC(=O)C2CCCCC2)C1	ZINC000330213435	510939295	/nfs/dbraw/zinc/93/92/95/510939295.db2.gz	KXWIIFNCEAYIOY-KCPJHIHWSA-N	0	0	364.446	2.592	10	30		FFEERN
O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)N1CCO[C@H](CO)C1	ZINC000330240123	510944483	/nfs/dbraw/zinc/94/44/83/510944483.db2.gz	BJQZNHBWAZICPN-AZUAARDMSA-N	0	0	352.434	2.948	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)C[C@@]2(CCCOC2)O1	ZINC000330247507	510946877	/nfs/dbraw/zinc/94/68/77/510946877.db2.gz	FQBTVFIAVYJHNC-DLVXIWMQSA-N	0	0	360.454	2.701	10	30		FFEERN
Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000330322076	510963598	/nfs/dbraw/zinc/96/35/98/510963598.db2.gz	GOJWVPQVIVIPOR-JTQLQIEISA-N	0	0	354.332	2.878	10	30		FFEERN
CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCOC1)C2	ZINC000330353551	510973169	/nfs/dbraw/zinc/97/31/69/510973169.db2.gz	OPEQSLXTEMCCTB-OLZOCXBDSA-N	0	0	357.458	2.727	10	30		FFEERN
N#CC[C@@H]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)C1	ZINC000334108456	511457658	/nfs/dbraw/zinc/45/76/58/511457658.db2.gz	ZVZKAKBDCBHOEP-HRCADAONSA-N	0	0	356.474	2.933	10	30		FFEERN
O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)N[C@H]1CCCC12CCOCC2	ZINC000328648744	511907983	/nfs/dbraw/zinc/90/79/83/511907983.db2.gz	IMTQEBKYUMIIIM-IKGGRYGDSA-N	0	0	363.502	2.630	10	30		FFEERN
C[C@@H]1CCC[C@H](C)N1C(=O)CN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000328670280	511913034	/nfs/dbraw/zinc/91/30/34/511913034.db2.gz	GIVNEBFNFMXIPM-DXEZIKHYSA-N	0	0	366.465	2.771	10	30		FFEERN
CN1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@H]1c1ccc(Cl)cc1	ZINC000328851123	511940665	/nfs/dbraw/zinc/94/06/65/511940665.db2.gz	UXGCNNHJWOJQNB-XOKHGSTOSA-N	0	0	351.878	2.704	10	30		FFEERN
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H](O)C1CCOCC1	ZINC000328994653	511962792	/nfs/dbraw/zinc/96/27/92/511962792.db2.gz	FANSPODFZXNEAK-BPQIPLTHSA-N	0	0	365.474	2.676	10	30		FFEERN
CN1CCO[C@H]2CCN(C(=O)Nc3ccnc(Oc4ccccc4)c3)C[C@H]21	ZINC000328995723	511965032	/nfs/dbraw/zinc/96/50/32/511965032.db2.gz	FKMXGHYXPNVHBV-MSOLQXFVSA-N	0	0	368.437	2.824	10	30		FFEERN
CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1	ZINC000329030931	511970805	/nfs/dbraw/zinc/97/08/05/511970805.db2.gz	PPJLQCHRROJZBR-XRFLOVRDSA-N	0	0	353.488	2.534	10	30		FFEERN
CC1(C)C[C@@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)c2ccccc2O1	ZINC000329063349	511976095	/nfs/dbraw/zinc/97/60/95/511976095.db2.gz	OEXQVHQUVGBFFI-GOEBONIOSA-N	0	0	355.442	2.959	10	30		FFEERN
C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCCCO1	ZINC000329098521	511983085	/nfs/dbraw/zinc/98/30/85/511983085.db2.gz	YVDHANQLSVKPST-AADNMHCOSA-N	0	0	354.397	2.944	10	30		FFEERN
CC[C@@H]1CCc2nc(NC(=O)N3CC[C@@H]4OCCN(C)[C@@H]4C3)sc2C1	ZINC000329123418	511987305	/nfs/dbraw/zinc/98/73/05/511987305.db2.gz	LKVDEQWWZYHZGG-YUELXQCFSA-N	0	0	364.515	2.608	10	30		FFEERN
C[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000329140838	511992566	/nfs/dbraw/zinc/99/25/66/511992566.db2.gz	JUNGODBPAVPGCU-MDYRTPRTSA-N	0	0	359.470	2.579	10	30		FFEERN
CC(C)c1nnc2n1CCN(CC(=O)Nc1nc3c(s1)CCCC3)C2	ZINC000329164080	511995744	/nfs/dbraw/zinc/99/57/44/511995744.db2.gz	GRAZLCZWORABSM-UHFFFAOYSA-N	0	0	360.487	2.841	10	30		FFEERN
C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCc2cncnc2C1	ZINC000329165199	511997526	/nfs/dbraw/zinc/99/75/26/511997526.db2.gz	HFBWXDOTTRQGHR-AWEZNQCLSA-N	0	0	365.437	2.638	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CCCC(C)(C)C2)C1	ZINC000329205459	512005001	/nfs/dbraw/zinc/00/50/01/512005001.db2.gz	WZQXRSJQVJFPSV-PMPSAXMXSA-N	0	0	351.491	2.581	10	30		FFEERN
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1	ZINC000329586876	512073712	/nfs/dbraw/zinc/07/37/12/512073712.db2.gz	RRSFYNFUWBWNSR-SGMGOOAPSA-N	0	0	356.875	2.556	10	30		FFEERN
CS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C1	ZINC000329685317	512086553	/nfs/dbraw/zinc/08/65/53/512086553.db2.gz	UQFRZTCKVYFVRL-HRCADAONSA-N	0	0	363.531	2.932	10	30		FFEERN
C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C	ZINC000329704096	512087904	/nfs/dbraw/zinc/08/79/04/512087904.db2.gz	IOGZAOCHUAPNHI-JFIYKMOQSA-N	0	0	365.518	2.623	10	30		FFEERN
C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCC1(F)F	ZINC000329702526	512088250	/nfs/dbraw/zinc/08/82/50/512088250.db2.gz	HWYYNEYANHIACE-OFQRWUPVSA-N	0	0	369.460	2.694	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)NC1C2CC3CC(C2)CC1C3	ZINC000329746323	512093247	/nfs/dbraw/zinc/09/32/47/512093247.db2.gz	RTPMTUWHXARVPP-OTRPTTJVSA-N	0	0	358.486	2.826	10	30		FFEERN
CC1(C)CCc2ccccc2[C@@H]1NC(=O)N[C@H]1CCCS(=O)(=O)C1	ZINC000329793724	512098332	/nfs/dbraw/zinc/09/83/32/512098332.db2.gz	VSCOYEDTCXGBRO-HOCLYGCPSA-N	0	0	350.484	2.781	10	30		FFEERN
O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1	ZINC000329852873	512104461	/nfs/dbraw/zinc/10/44/61/512104461.db2.gz	VCWPUVKGWLBEPG-DJIMGWMZSA-N	0	0	370.453	2.521	10	30		FFEERN
CC[C@]1(C)CN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CCO1	ZINC000373661595	512446515	/nfs/dbraw/zinc/44/65/15/512446515.db2.gz	YPEYLOXACWCHOP-YLJYHZDGSA-N	0	0	356.470	2.506	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)ccc1C(F)(F)F	ZINC000407953779	512974396	/nfs/dbraw/zinc/97/43/96/512974396.db2.gz	MLVXFZPPLRAVLS-LSDHHAIUSA-N	0	0	374.384	2.909	10	30		FFEERN
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21	ZINC000407973293	512977962	/nfs/dbraw/zinc/97/79/62/512977962.db2.gz	JGPHWZCKSXQREB-HOCLYGCPSA-N	0	0	363.483	2.891	10	30		FFEERN
N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F	ZINC000408002292	512982561	/nfs/dbraw/zinc/98/25/61/512982561.db2.gz	FFQMHMLXPJNWGK-RDDDGLTNSA-N	0	0	365.199	2.698	10	30		FFEERN
CCOC(=O)c1ccc(I)c(OC(F)F)c1C#N	ZINC000575385900	518207721	/nfs/dbraw/zinc/20/77/21/518207721.db2.gz	DZECJSZHSPPDGU-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
N#CCc1cc([N+](=O)[O-])cc(I)c1OC(F)F	ZINC000575666072	518245680	/nfs/dbraw/zinc/24/56/80/518245680.db2.gz	FQEHVQPKSMJNGW-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
C[C@]12CC(=O)O[C@@]1(C)C[C@@H](O)[C@@H]2/C=C/C(=O)COc1cccc(Cl)c1	ZINC000616585841	520070722	/nfs/dbraw/zinc/07/07/22/520070722.db2.gz	CFCIQNKFWIUFOY-IKPASIBZSA-N	0	0	364.825	2.937	10	30		FFEERN
N#Cc1ccc(C(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)cc1	ZINC000275785741	526594061	/nfs/dbraw/zinc/59/40/61/526594061.db2.gz	YYAVMRHXNOEPCP-SFHVURJKSA-N	0	0	362.433	2.847	10	30		FFEERN
O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CC[C@H]2CCC[C@@H]21	ZINC000330265901	568009562	/nfs/dbraw/zinc/00/95/62/568009562.db2.gz	ZWVQBOOJGYIERJ-ABAIWWIYSA-N	0	0	367.446	2.686	10	30		FFEERN
COc1cc(/C=C2/C(=O)N(CCC#N)N=C2C)cc(Br)c1O	ZINC000096569413	728481047	/nfs/dbraw/zinc/48/10/47/728481047.db2.gz	AIEBTLHPLNEXNE-IZZDOVSWSA-N	0	0	364.199	2.678	10	30		FFEERN
C#CC[C@@H](OC(=O)CN1C(=O)CSc2ccccc21)c1ccccn1	ZINC000105549500	728506416	/nfs/dbraw/zinc/50/64/16/728506416.db2.gz	XLCYIYLEJWCCMZ-MRXNPFEDSA-N	0	0	352.415	2.828	10	30		FFEERN
CCCC(=O)NCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000105763004	728508668	/nfs/dbraw/zinc/50/86/68/728508668.db2.gz	IEPBMRFDTXLYJG-AWEZNQCLSA-N	0	0	352.419	2.774	10	30		FFEERN
C#CCSCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1	ZINC000130781201	728720704	/nfs/dbraw/zinc/72/07/04/728720704.db2.gz	WXDOGBXUXRWACF-MRXNPFEDSA-N	0	0	372.515	2.572	10	30		FFEERN
C[C@@H]1CN([C@@H](CNC(=O)C#Cc2ccccc2)c2cccs2)CCO1	ZINC000177975735	729150715	/nfs/dbraw/zinc/15/07/15/729150715.db2.gz	JUKLVHQJOKVTHM-AEFFLSMTSA-N	0	0	354.475	2.678	10	30		FFEERN
C=CCOC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1	ZINC000194186336	729502461	/nfs/dbraw/zinc/50/24/61/729502461.db2.gz	BDZKIYWDDOMTON-OAHLLOKOSA-N	0	0	363.460	2.593	10	30		FFEERN
CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc2nc[nH]c(=O)c2c1	ZINC000328824046	729795359	/nfs/dbraw/zinc/79/53/59/729795359.db2.gz	GWLYIOOTKNEPFP-IINYFYTJSA-N	0	0	360.439	2.871	10	30		FFEERN
CN1C(=O)N[C@@H]2CN(C(=O)NC[C@@H]3CCCC[C@@H]3C(F)(F)F)CC[C@@H]21	ZINC000328990672	729796008	/nfs/dbraw/zinc/79/60/08/729796008.db2.gz	FLBLILDITLPDEW-RVMXOQNASA-N	0	0	362.396	2.571	10	30		FFEERN
Cc1ccc([C@H](NC(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C2CC2)cc1	ZINC000329210073	729796753	/nfs/dbraw/zinc/79/67/53/729796753.db2.gz	ZHYGGRBWZWNTIX-SCTDSRPQSA-N	0	0	362.495	2.522	10	30		FFEERN
O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)N[C@@H]1CCCCC[C@H]1O	ZINC000329401953	729797398	/nfs/dbraw/zinc/79/73/98/729797398.db2.gz	YJBUUZUZTPZLEI-BRWVUGGUSA-N	0	0	351.491	2.507	10	30		FFEERN
C[C@H](NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@@H]1CCCO1	ZINC000329908432	729799390	/nfs/dbraw/zinc/79/93/90/729799390.db2.gz	LSCOYHWGBLLUMY-YXWQFLTLSA-N	0	0	355.479	2.732	10	30		FFEERN
CC(C)(C)OC(=O)N1C[C@@H](CNc2ccc(Cl)cc2C#N)[C@H](O)C1	ZINC000702764211	734356579	/nfs/dbraw/zinc/35/65/79/734356579.db2.gz	AMSRGIVWONRIJL-IUODEOHRSA-N	0	0	351.834	2.851	10	30		FFEERN
Cc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3c4ccccc4C[C@H]3C)CC2)n1	ZINC000329450641	967722191	/nfs/dbraw/zinc/72/21/91/967722191.db2.gz	MTWXWSSXXNVPCB-GLJUWKHASA-N	0	0	369.469	2.904	10	30		FFEERN
CC(C)C1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1	ZINC000329530270	967783534	/nfs/dbraw/zinc/78/35/34/967783534.db2.gz	VPPBKIUAAJFKQX-VQIMIIECSA-N	0	0	373.501	2.507	10	30		FFEERN
CN(C([O-])=[NH+][C@@H]1CCc2ccccc2C1)[C@H]1CCCN(c2cccnn2)C1	ZINC000329697394	967951546	/nfs/dbraw/zinc/95/15/46/967951546.db2.gz	YHTFLSGHACCPMU-MOPGFXCFSA-N	0	0	365.481	2.849	10	30		FFEERN
N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1	ZINC000329699504	967954081	/nfs/dbraw/zinc/95/40/81/967954081.db2.gz	DDNYVOPTCHTXGJ-BXUZGUMPSA-N	0	0	355.377	2.506	10	30		FFEERN
Cn1cc([C@@H]2[C@H](C(=O)N[C@@H]3CCC[C@@H]3C#N)CC(=O)N2C(C)(C)C)cn1	ZINC000330107698	970395783	/nfs/dbraw/zinc/39/57/83/970395783.db2.gz	MMRLFYKIPYRLLD-DNNBLBMLSA-N	0	0	357.458	2.757	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1	ZINC000332884527	977677961	/nfs/dbraw/zinc/67/79/61/977677961.db2.gz	FMHCFSBLGFNKLX-GBJTYRQASA-N	0	0	359.430	2.850	10	30		FFEERN
COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000102120284	1005030901	/nfs/dbraw/zinc/03/09/01/1005030901.db2.gz	VFALILBRAHYCRJ-AWEZNQCLSA-N	0	0	353.334	2.873	10	30		FFEERN
CCOCCCNC(=O)[C@@H](C#N)C(=O)Cc1c[nH]c2c1cccc2CC	ZINC000109413063	1005826525	/nfs/dbraw/zinc/82/65/25/1005826525.db2.gz	FUWDQQGTJGXOED-KRWDZBQOSA-N	0	0	355.438	2.524	10	30		FFEERN
CCOC(=O)/C(=N/Nc1cc(Cl)ccc1Cl)N1CCN(CC)CC1	ZINC000012728914	220022591	/nfs/dbraw/zinc/02/25/91/220022591.db2.gz	BGBYVELLXCYFBF-HKWRFOASSA-N	0	0	373.284	2.919	10	30		FFEERN
N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(n3cncn3)CC2)c1	ZINC000102803286	250123202	/nfs/dbraw/zinc/12/32/02/250123202.db2.gz	XZYVBZYHBFWYIC-UHFFFAOYSA-N	0	0	362.340	2.620	10	30		FFEERN
N#Cc1ccsc1NC(=O)CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000121183127	250671708	/nfs/dbraw/zinc/67/17/08/250671708.db2.gz	UKMYOHBVKNNXTN-IUODEOHRSA-N	0	0	363.389	2.644	10	30		FFEERN
N#CCN(CC#N)c1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-]	ZINC000040618006	220912791	/nfs/dbraw/zinc/91/27/91/220912791.db2.gz	ZJTABTOPLZHOPD-UHFFFAOYSA-N	0	0	361.724	2.774	10	30		FFEERN
COCCNc1c(CCC(=O)OC)c(C)c(C#N)c2nc3ccccc3n21	ZINC000047163584	220988234	/nfs/dbraw/zinc/98/82/34/220988234.db2.gz	YIFNIBCQUHKAMO-UHFFFAOYSA-N	0	0	366.421	2.832	10	30		FFEERN
CCOC(=O)c1cc(N2CCc3c(C#N)c(N)sc3C2)ccc1[N+](=O)[O-]	ZINC000301622068	258059381	/nfs/dbraw/zinc/05/93/81/258059381.db2.gz	NTJQSGSTCNIVCN-UHFFFAOYSA-N	0	0	372.406	2.850	10	30		FFEERN
N#Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1	ZINC000301666308	258061668	/nfs/dbraw/zinc/06/16/68/258061668.db2.gz	WVARLDSGBKSABS-PMACEKPBSA-N	0	0	364.405	2.556	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2c(F)cc(C#N)cc2F)CC(=O)N1C	ZINC000330144279	258156465	/nfs/dbraw/zinc/15/64/65/258156465.db2.gz	RNQLXRIOSVDDQF-RDTXWAMCSA-N	0	0	359.380	2.571	10	30		FFEERN
CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cc2ccccc2o1	ZINC000005612713	263342419	/nfs/dbraw/zinc/34/24/19/263342419.db2.gz	STRIWLFNORRTOP-VCHYOVAHSA-N	0	0	374.378	2.825	10	30		FFEERN
COC(=O)Cc1cc(C#N)cc(I)c1C(F)(F)F	ZINC000575392084	518209461	/nfs/dbraw/zinc/20/94/61/518209461.db2.gz	BCFGDJOLAUCOQH-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
C/C(=N\NC(=S)NC[C@@H]1CCCO1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005166347	506425238	/nfs/dbraw/zinc/42/52/38/506425238.db2.gz	WGLOZPWGTZTQEL-DTQASYIRSA-N	0	0	356.835	2.615	10	30		FFEERN
O=C(C#Cc1ccccc1)N1CCC2(C[C@H]2C(=O)NCc2ccccc2)CC1	ZINC000012451992	506866026	/nfs/dbraw/zinc/86/60/26/506866026.db2.gz	OMPBXYMHNFUBEI-NRFANRHFSA-N	0	0	372.468	2.983	10	30		FFEERN
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000018891623	507151447	/nfs/dbraw/zinc/15/14/47/507151447.db2.gz	QQHCIMZTQFUWDK-UONOGXRCSA-N	0	0	352.390	2.974	10	30		FFEERN
CCc1nc(CNC(=O)N2CCN(c3ccccc3C#N)CC2)cs1	ZINC000107753600	507865957	/nfs/dbraw/zinc/86/59/57/507865957.db2.gz	YBRVLLNUUTZRNE-UHFFFAOYSA-N	0	0	355.467	2.609	10	30		FFEERN
N#C[C@H](NC(=O)c1ccc(Cl)c(I)c1)C1CC1	ZINC000108832957	507921554	/nfs/dbraw/zinc/92/15/54/507921554.db2.gz	CSCXOWGKAPPRPR-NSHDSACASA-N	0	0	360.582	2.977	10	30		FFEERN
N#C[C@@H](NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)C1CC1	ZINC000108827776	507920532	/nfs/dbraw/zinc/92/05/32/507920532.db2.gz	ACZWVTRNEQZKJE-IEBWSBKVSA-N	0	0	361.401	2.661	10	30		FFEERN
N#CC1(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)CCOCC1	ZINC000109140383	507942202	/nfs/dbraw/zinc/94/22/02/507942202.db2.gz	SYFYCSZJQUZXNM-UHFFFAOYSA-N	0	0	355.369	2.950	10	30		FFEERN
COc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1N1CCCC1=O	ZINC000109151005	507943072	/nfs/dbraw/zinc/94/30/72/507943072.db2.gz	JRSBFFVTHBEXBM-UHFFFAOYSA-N	0	0	364.405	2.744	10	30		FFEERN
COC(=O)C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1	ZINC000110189251	508012931	/nfs/dbraw/zinc/01/29/31/508012931.db2.gz	IZUINWVIBFNNED-GOSISDBHSA-N	0	0	352.390	2.552	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCN(Cc3cnc(C)s3)CC2)cc1	ZINC000110944081	508058178	/nfs/dbraw/zinc/05/81/78/508058178.db2.gz	COYLPWRJQTVKER-UHFFFAOYSA-N	0	0	357.479	2.974	10	30		FFEERN
C=CCOc1ccccc1C(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1	ZINC000112035386	508145750	/nfs/dbraw/zinc/14/57/50/508145750.db2.gz	RNDXWQPLNDFBHQ-HNNXBMFYSA-N	0	0	370.453	2.716	10	30		FFEERN
N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCc4ncnn4C3)c2)cc1	ZINC000112656762	508206347	/nfs/dbraw/zinc/20/63/47/508206347.db2.gz	AHRCEECSKDTXGG-MRXNPFEDSA-N	0	0	359.389	2.687	10	30		FFEERN
CCc1ccc(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)s1	ZINC000101577178	508248507	/nfs/dbraw/zinc/24/85/07/508248507.db2.gz	LTRGAJMHABAZFH-UHFFFAOYSA-N	0	0	361.492	2.693	10	30		FFEERN
C[C@@H](C#N)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl	ZINC000104332684	508332287	/nfs/dbraw/zinc/33/22/87/508332287.db2.gz	YCVPRLOGPUXDTM-SCLBCKFNSA-N	0	0	367.836	2.935	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)ccc1F	ZINC000114741630	508344423	/nfs/dbraw/zinc/34/44/23/508344423.db2.gz	MTOCRAZNANIPCR-NSHDSACASA-N	0	0	351.428	2.722	10	30		FFEERN
N#Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2nccs2)ccc1F	ZINC000127159616	508407528	/nfs/dbraw/zinc/40/75/28/508407528.db2.gz	AUUQPIHVTFUBCY-CQSZACIVSA-N	0	0	358.398	2.846	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000128018865	508536007	/nfs/dbraw/zinc/53/60/07/508536007.db2.gz	DBQJKPBSZVCPCJ-CQSZACIVSA-N	0	0	370.453	2.720	10	30		FFEERN
CCOCCN1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000117437021	508598516	/nfs/dbraw/zinc/59/85/16/508598516.db2.gz	XZCWZMBSROMDOR-ZDUSSCGKSA-N	0	0	350.850	2.786	10	30		FFEERN
Cc1cc(S(=O)(=O)NCCNc2ccc(F)cc2C#N)c(C)s1	ZINC000154386203	508774185	/nfs/dbraw/zinc/77/41/85/508774185.db2.gz	SZQHNYOGGYGXJB-UHFFFAOYSA-N	0	0	353.444	2.766	10	30		FFEERN
CCOP(=O)(COS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCC	ZINC000141761194	508818520	/nfs/dbraw/zinc/81/85/20/508818520.db2.gz	PCSRNGSAQYCZSV-UHFFFAOYSA-N	0	0	353.289	2.524	10	30		FFEERN
O=C(CCCCCCC(=O)ON1C(=O)CCC1=O)OCc1ccccc1	ZINC000143029651	508827119	/nfs/dbraw/zinc/82/71/19/508827119.db2.gz	BLCXBKCZFFHSCU-UHFFFAOYSA-N	0	0	361.394	2.678	10	30		FFEERN
CC[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1CCOC	ZINC000159928873	508912564	/nfs/dbraw/zinc/91/25/64/508912564.db2.gz	NQWCSUHVNCVCNV-KRWDZBQOSA-N	0	0	370.415	2.979	10	30		FFEERN
CN1CCO[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1	ZINC000150973958	508933942	/nfs/dbraw/zinc/93/39/42/508933942.db2.gz	NUNLDOXXAWVMJV-IBGZPJMESA-N	0	0	366.421	2.803	10	30		FFEERN
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)C#N)c2)c1	ZINC000125705895	509019478	/nfs/dbraw/zinc/01/94/78/509019478.db2.gz	GZOIDDKUEQCRFK-CQSZACIVSA-N	0	0	357.435	2.746	10	30		FFEERN
N#CCCCOc1cccnc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1	ZINC000188689900	509213538	/nfs/dbraw/zinc/21/35/38/509213538.db2.gz	PHHCDNXYRHUOJP-ZDUSSCGKSA-N	0	0	355.402	2.641	10	30		FFEERN
N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1	ZINC000248053534	509225383	/nfs/dbraw/zinc/22/53/83/509225383.db2.gz	WXGVAZGZJPURSE-BBRMVZONSA-N	0	0	354.859	2.527	10	30		FFEERN
CC(C)c1nc2c(n1C)CCN(C(=O)NCCOc1ccc(C#N)cc1)C2	ZINC000175978524	509253523	/nfs/dbraw/zinc/25/35/23/509253523.db2.gz	BZCPKGCDYUTUCD-UHFFFAOYSA-N	0	0	367.453	2.562	10	30		FFEERN
Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)Nc1ccc(C#N)cc1	ZINC000185590348	509254119	/nfs/dbraw/zinc/25/41/19/509254119.db2.gz	DDAHWANQLJZVOL-KRWDZBQOSA-N	0	0	352.369	2.711	10	30		FFEERN
N#Cc1ccc(C2(C(=O)N3CCN(c4cccs4)C(=O)C3)CC2)cc1	ZINC000189158375	509441482	/nfs/dbraw/zinc/44/14/82/509441482.db2.gz	ZOQJVJHPUNHKCF-UHFFFAOYSA-N	0	0	351.431	2.527	10	30		FFEERN
Cn1cccc1[C@H]1COCCN1C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000164049020	509458294	/nfs/dbraw/zinc/45/82/94/509458294.db2.gz	QAHZYNWZASKGKE-MBNRZODZSA-N	0	0	351.406	2.541	10	30		FFEERN
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2	ZINC000185988481	509466532	/nfs/dbraw/zinc/46/65/32/509466532.db2.gz	WBZISSVXZRQUPU-RTBURBONSA-N	0	0	374.456	2.945	10	30		FFEERN
CC(C)(C)OC(=O)N1CCC[C@H](Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000186025588	509487426	/nfs/dbraw/zinc/48/74/26/509487426.db2.gz	OBEOFIXOKPVSAO-HNNXBMFYSA-N	0	0	368.441	2.950	10	30		FFEERN
Cc1nc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(CC#N)cc2)cs1	ZINC000189445499	509579430	/nfs/dbraw/zinc/57/94/30/509579430.db2.gz	RCOLBMRDIHXMTB-MRXNPFEDSA-N	0	0	354.435	2.820	10	30		FFEERN
N#CCCn1ccc(NC(=O)NC2(c3noc(C4CC4)n3)CCCC2)n1	ZINC000176567240	509585785	/nfs/dbraw/zinc/58/57/85/509585785.db2.gz	PHOHCKGPFJZMPL-UHFFFAOYSA-N	0	0	355.402	2.648	10	30		FFEERN
CC(C)c1nc(C2(NC(=O)Nc3ccn(CCC#N)n3)CCCC2)no1	ZINC000176567216	509586425	/nfs/dbraw/zinc/58/64/25/509586425.db2.gz	HBOWBVOBLGIMOH-UHFFFAOYSA-N	0	0	357.418	2.894	10	30		FFEERN
N#Cc1ccc(NC(=O)CNC2(c3noc(C4CC4)n3)CCCC2)cc1	ZINC000173708444	509731648	/nfs/dbraw/zinc/73/16/48/509731648.db2.gz	URVUWMLSUROCFU-UHFFFAOYSA-N	0	0	351.410	2.816	10	30		FFEERN
CC(C)c1nc([C@H]2CCCN2S(=O)(=O)Cc2cccc(C#N)c2)no1	ZINC000173724340	509739635	/nfs/dbraw/zinc/73/96/35/509739635.db2.gz	ZHIWSHLIKSCCCH-OAHLLOKOSA-N	0	0	360.439	2.732	10	30		FFEERN
N#Cc1ccccc1Cn1cccc1CN1CCO[C@H]([C@H]2CCCO2)C1	ZINC000249768861	509760312	/nfs/dbraw/zinc/76/03/12/509760312.db2.gz	JBSVEGDPXPIRST-RTWAWAEBSA-N	0	0	351.450	2.788	10	30		FFEERN
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCN(C)C(=O)C1	ZINC000189804974	509761744	/nfs/dbraw/zinc/76/17/44/509761744.db2.gz	NHXOFDCYJMXHPV-UHFFFAOYSA-N	0	0	356.344	2.575	10	30		FFEERN
N#CCOc1cccc(CC(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1	ZINC000180141266	509775374	/nfs/dbraw/zinc/77/53/74/509775374.db2.gz	UUHHJPXMIVAZGB-HNAYVOBHSA-N	0	0	372.371	2.744	10	30		FFEERN
N#CCSc1cccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1	ZINC000176950253	509781613	/nfs/dbraw/zinc/78/16/13/509781613.db2.gz	YPMDGSYPHKTJRV-INIZCTEOSA-N	0	0	372.471	2.951	10	30		FFEERN
C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21	ZINC000186841862	509909985	/nfs/dbraw/zinc/90/99/85/509909985.db2.gz	UUWCOMHZBSOALO-AZUAARDMSA-N	0	0	362.445	2.964	10	30		FFEERN
COc1cccc(C=N/N=C2\C(=O)Nc3ccc(Br)cc32)c1O	ZINC000254867003	509912387	/nfs/dbraw/zinc/91/23/87/509912387.db2.gz	ZXHXASXTUHNWNL-UHFFFAOYSA-N	0	0	374.194	2.939	10	30		FFEERN
Cc1nccn1C[C@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1C#N	ZINC000177372471	510019505	/nfs/dbraw/zinc/01/95/05/510019505.db2.gz	WCFLDUUDBHNGET-OAHLLOKOSA-N	0	0	357.483	2.845	10	30		FFEERN
CC(C)N1C(=O)C[C@@H](C(=O)N[C@H](C)C#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000245601756	510029957	/nfs/dbraw/zinc/02/99/57/510029957.db2.gz	GAFNHCIOTFQXJJ-NSODJVPESA-N	0	0	351.809	2.805	10	30		FFEERN
C=C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1)c1ccccc1	ZINC000245674531	510076146	/nfs/dbraw/zinc/07/61/46/510076146.db2.gz	STLJCNASEXZSSR-WMZOPIPTSA-N	0	0	365.481	2.963	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccnc2)cc1	ZINC000177567621	510136837	/nfs/dbraw/zinc/13/68/37/510136837.db2.gz	GRUQUXWAFXJPLJ-HXUWFJFHSA-N	0	0	370.412	2.992	10	30		FFEERN
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCS[C@@H](C)C2)c1C#N	ZINC000171698992	510314982	/nfs/dbraw/zinc/31/49/82/510314982.db2.gz	MFWMAHWMEIXOCY-ZDUSSCGKSA-N	0	0	372.494	2.994	10	30		FFEERN
C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1C(=O)N(CC)CC	ZINC000174842485	510339433	/nfs/dbraw/zinc/33/94/33/510339433.db2.gz	BNXVXZVYQZSKNU-QGZVFWFLSA-N	0	0	359.470	2.794	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000178543444	510653990	/nfs/dbraw/zinc/65/39/90/510653990.db2.gz	FCZRQFAKRZQOID-INIZCTEOSA-N	0	0	350.426	2.789	10	30		FFEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000246902426	510738027	/nfs/dbraw/zinc/73/80/27/510738027.db2.gz	FVZNECPTINIECI-LRDDRELGSA-N	0	0	354.859	2.527	10	30		FFEERN
C[C@@H](NC(=O)c1ccco1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000175713988	510749585	/nfs/dbraw/zinc/74/95/85/510749585.db2.gz	WRLTVDRPGGXTBZ-GFCCVEGCSA-N	0	0	364.323	2.585	10	30		FFEERN
CO[C@H](C)c1nc(C)c(C(=O)N[C@H]2CCCN(c3ccnn3C)C2)s1	ZINC000329933746	510881699	/nfs/dbraw/zinc/88/16/99/510881699.db2.gz	BQZUQLOSSDHODE-OLZOCXBDSA-N	0	0	363.487	2.866	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCSC[C@@H]1c1cnn(C)c1)CCC2	ZINC000330033401	510903244	/nfs/dbraw/zinc/90/32/44/510903244.db2.gz	AEUCBBYXKQAWTH-GOEBONIOSA-N	0	0	374.514	2.507	10	30		FFEERN
C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)[C@H]1CCCO1	ZINC000330056474	510907824	/nfs/dbraw/zinc/90/78/24/510907824.db2.gz	VXLFPHYKECKUCP-DPAVQSFQSA-N	0	0	362.474	2.632	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)C1	ZINC000330124441	510920724	/nfs/dbraw/zinc/92/07/24/510920724.db2.gz	BEAXCWQNOJGXOK-HWHUXHBOSA-N	0	0	356.426	2.987	10	30		FFEERN
CCn1cc(-c2n[nH]cc2C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)cn1	ZINC000330334610	510967384	/nfs/dbraw/zinc/96/73/84/510967384.db2.gz	YTMXXBKGVGTHOX-CQSZACIVSA-N	0	0	358.446	2.510	10	30		FFEERN
Cc1nc(CN(C)[C@H]2CCCN(c3cc(C)nc(C)c3C#N)CC2)no1	ZINC000328633415	511901827	/nfs/dbraw/zinc/90/18/27/511901827.db2.gz	LYQLTXHPSFDHBY-INIZCTEOSA-N	0	0	354.458	2.752	10	30		FFEERN
CC(C)c1nnc([C@H]2COCCN2C(=O)Nc2ccc(Cl)cn2)o1	ZINC000328633014	511902041	/nfs/dbraw/zinc/90/20/41/511902041.db2.gz	SFWLVUQHMLCXID-LLVKDONJSA-N	0	0	351.794	2.860	10	30		FFEERN
CN(C)c1ccc(N[C@@H]2CCCN(C(=O)NCc3cscn3)CC2)cn1	ZINC000328630778	511902130	/nfs/dbraw/zinc/90/21/30/511902130.db2.gz	JUAPMYHCIWPWKO-CQSZACIVSA-N	0	0	374.514	2.985	10	30		FFEERN
C[C@@H]1CCC[C@H](C)N1C(=O)CN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000328670284	511912446	/nfs/dbraw/zinc/91/24/46/511912446.db2.gz	GIVNEBFNFMXIPM-KQDGPHEJSA-N	0	0	366.465	2.771	10	30		FFEERN
COc1cc(F)c([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)cc1OC	ZINC000328811404	511935354	/nfs/dbraw/zinc/93/53/54/511935354.db2.gz	AYQJBFZQKJZEFX-NCAQKEMTSA-N	0	0	352.406	2.975	10	30		FFEERN
C[C@@H]1CC(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)C[C@@H](C)O1	ZINC000328918173	511950312	/nfs/dbraw/zinc/95/03/12/511950312.db2.gz	LBJDBDOIWVUQKA-AHCXZYCDSA-N	0	0	364.486	2.588	10	30		FFEERN
CN1CCO[C@H]2CCN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)C[C@@H]21	ZINC000328995945	511964636	/nfs/dbraw/zinc/96/46/36/511964636.db2.gz	WKJHDVMPFXEFGX-HOTGVXAUSA-N	0	0	356.426	2.656	10	30		FFEERN
CN1CCO[C@H]2CCN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)C[C@H]21	ZINC000328995942	511965071	/nfs/dbraw/zinc/96/50/71/511965071.db2.gz	WKJHDVMPFXEFGX-CVEARBPZSA-N	0	0	356.426	2.656	10	30		FFEERN
CC(C)c1noc([C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C2CCOCC2)n1	ZINC000329067073	511976426	/nfs/dbraw/zinc/97/64/26/511976426.db2.gz	WVEONODOTVXTRD-SWLSCSKDSA-N	0	0	374.445	2.540	10	30		FFEERN
CC(C)n1cc([C@@H]2CN(C(=O)NC3CCC(F)(F)CC3)C[C@H]2CO)cn1	ZINC000329085029	511979593	/nfs/dbraw/zinc/97/95/93/511979593.db2.gz	UAWWAWFKNRHETC-HOCLYGCPSA-N	0	0	370.444	2.964	10	30		FFEERN
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@H]1COC[C@H]1n1ccnn1	ZINC000329203583	512004255	/nfs/dbraw/zinc/00/42/55/512004255.db2.gz	WJPINJZERLWYTR-UUAJXVIYSA-N	0	0	350.463	2.652	10	30		FFEERN
COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1	ZINC000329242712	512012454	/nfs/dbraw/zinc/01/24/54/512012454.db2.gz	AHZPTCVSZACFOG-OTWHNJEPSA-N	0	0	360.454	2.866	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC2(CCOCC2)O1	ZINC000329350396	512032116	/nfs/dbraw/zinc/03/21/16/512032116.db2.gz	FBCXFIMLWGRVOK-IIAWOOMASA-N	0	0	367.490	2.704	10	30		FFEERN
CCC1(C)CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1	ZINC000329474214	512053290	/nfs/dbraw/zinc/05/32/90/512053290.db2.gz	AUZZPOZKCAZHPF-CRAIPNDOSA-N	0	0	373.501	2.651	10	30		FFEERN
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12	ZINC000329571088	512072213	/nfs/dbraw/zinc/07/22/13/512072213.db2.gz	QNDOJTLCILFHDY-KOZDUTSQSA-N	0	0	353.488	2.931	10	30		FFEERN
C[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1nc(-c2cccc(F)c2)no1	ZINC000329629396	512079355	/nfs/dbraw/zinc/07/93/55/512079355.db2.gz	HMYYSZGVNXJSCK-LERXQTSPSA-N	0	0	373.388	2.901	10	30		FFEERN
Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H](N4CCOCC4)C3)c2c1	ZINC000407985627	512979719	/nfs/dbraw/zinc/97/97/19/512979719.db2.gz	PGKCBYPECJLYJO-HNNXBMFYSA-N	0	0	356.857	2.979	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCn4cccc4[C@@H]3C)C2)n1	ZINC000408285529	513038759	/nfs/dbraw/zinc/03/87/59/513038759.db2.gz	GGVSXKZEYMLYHM-WMZOPIPTSA-N	0	0	363.465	2.883	10	30		FFEERN
COC(=O)Cc1c(I)cc(C#N)cc1C(F)F	ZINC000575389144	518208950	/nfs/dbraw/zinc/20/89/50/518208950.db2.gz	AFNUPSUDBDJWFK-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
CC[C@H](C)NC(=O)C1(C#N)CCN(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000584646509	518419220	/nfs/dbraw/zinc/41/92/20/518419220.db2.gz	VQUITCUDACFSCT-AWEZNQCLSA-N	0	0	353.426	2.611	10	30		FFEERN
COc1cc(NC(=O)[C@@H](C)O/N=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1	ZINC000024033903	522706129	/nfs/dbraw/zinc/70/61/29/522706129.db2.gz	XQYVDGLDIVMCOY-ZGXHQARYSA-N	0	0	373.365	2.990	10	30		FFEERN
C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@H](O)C[C@@H]3C)n2)C1	ZINC000330269479	568058336	/nfs/dbraw/zinc/05/83/36/568058336.db2.gz	RZLXJCHBKYAQRQ-IPYPFGDCSA-N	0	0	352.504	2.766	10	30		FFEERN
Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2cccc(CN3CCOCC3)c2)cn1	ZINC000330336256	568261519	/nfs/dbraw/zinc/26/15/19/568261519.db2.gz	SGKURXZXFUWTFF-RBUKOAKNSA-N	0	0	370.453	2.618	10	30		FFEERN
C#CCN(CCCOc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000104093286	728500682	/nfs/dbraw/zinc/50/06/82/728500682.db2.gz	CZYIJNVPQWBHGR-SFHVURJKSA-N	0	0	363.523	2.875	10	30		FFEERN
C=CCn1nnn(CN2CCC[C@H](c3nc(CC)cs3)C2)c1=S	ZINC000195311385	729535716	/nfs/dbraw/zinc/53/57/16/729535716.db2.gz	ROILMDIOPBCHON-LBPRGKRZSA-N	0	0	350.517	2.851	10	30		FFEERN
O=C(NC1CC(c2cccc(Cl)c2)C1)N1CCO[C@@]2(CCOC2)C1	ZINC000329898311	729799238	/nfs/dbraw/zinc/79/92/38/729799238.db2.gz	MBRXHQXLGGVEOE-PVARCSIZSA-N	0	0	350.846	2.991	10	30		FFEERN
Cc1nc([C@@H](C)NC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cs1	ZINC000330072532	729799778	/nfs/dbraw/zinc/79/97/78/729799778.db2.gz	ZDCZFKGMHOTXFB-SECBINFHSA-N	0	0	351.453	2.868	10	30		FFEERN
C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)CCS1(=O)=O	ZINC000330251314	729800605	/nfs/dbraw/zinc/80/06/05/729800605.db2.gz	NKYUYPXMLIJEET-FRRDWIJNSA-N	0	0	370.437	2.778	10	30		FFEERN
C#CCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)c1	ZINC000108452779	965150499	/nfs/dbraw/zinc/15/04/99/965150499.db2.gz	CVKZJANTCYSURL-SFHVURJKSA-N	0	0	364.401	2.648	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@H](C)c3ccccn3)C2)nn1	ZINC000329680298	967937355	/nfs/dbraw/zinc/93/73/55/967937355.db2.gz	RHBMVEDMOGVDTM-CVEARBPZSA-N	0	0	354.458	2.756	10	30		FFEERN
Cn1cc([C@@H]2[C@H](C(=O)N[C@@H]3CCC[C@H]3C#N)CC(=O)N2C(C)(C)C)cn1	ZINC000330107699	970396133	/nfs/dbraw/zinc/39/61/33/970396133.db2.gz	MMRLFYKIPYRLLD-DPAVQSFQSA-N	0	0	357.458	2.757	10	30		FFEERN
N#C[C@H]1CCC[C@H]1NC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1	ZINC000332912843	977681809	/nfs/dbraw/zinc/68/18/09/977681809.db2.gz	QZZSPFOCAIMCTN-IAGOWNOFSA-N	0	0	353.422	2.949	10	30		FFEERN
N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(Nc2cccnn2)CC1	ZINC000106081399	250232059	/nfs/dbraw/zinc/23/20/59/250232059.db2.gz	CPPQICFBADDKTE-UHFFFAOYSA-N	0	0	370.844	2.517	10	30		FFEERN
Cc1cc(CNC(=O)N2CCCN(c3ncccc3C#N)CC2)ccc1F	ZINC000056592901	221081323	/nfs/dbraw/zinc/08/13/23/221081323.db2.gz	BKEUJOAOBISJQG-UHFFFAOYSA-N	0	0	367.428	2.823	10	30		FFEERN
N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCCN(Cc2nccs2)C3)n1	ZINC000096073869	222012002	/nfs/dbraw/zinc/01/20/02/222012002.db2.gz	XYZNDHJLOVVPHE-YJBOKZPZSA-N	0	0	355.467	2.645	10	30		FFEERN
COC(=O)c1cc(C#N)c(I)c(C(F)(F)F)c1	ZINC000575392142	518209407	/nfs/dbraw/zinc/20/94/07/518209407.db2.gz	BXXCCWZTJNTMJF-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
Cc1ccc([C@H]2c3c(=O)[nH]c(=O)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004562819	506383660	/nfs/dbraw/zinc/38/36/60/506383660.db2.gz	DZWNFOJNTBKDDO-CQSZACIVSA-N	0	0	351.406	2.572	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)OC)cc3)cc2C1=O	ZINC000005576625	506450470	/nfs/dbraw/zinc/45/04/70/506450470.db2.gz	AWLXZIOWFMOCCX-UHFFFAOYSA-N	0	0	364.357	2.508	10	30		FFEERN
O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000043997169	506805714	/nfs/dbraw/zinc/80/57/14/506805714.db2.gz	LJCVFEJHQYFPSW-MRVPVSSYSA-N	0	0	357.317	2.915	10	30		FFEERN
Cc1nccc(CN2CCC[C@@H](Nc3c(F)cc(C#N)cc3F)C2=O)n1	ZINC000373393710	512309403	/nfs/dbraw/zinc/30/94/03/512309403.db2.gz	PXRYKXVGIHBSJV-MRXNPFEDSA-N	0	0	357.364	2.538	10	30		FFEERN
C=CCNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1	ZINC000015509014	507044755	/nfs/dbraw/zinc/04/47/55/507044755.db2.gz	KSTGELSCILEBBL-UHFFFAOYSA-N	0	0	356.447	2.744	10	30		FFEERN
Oc1ccc(Br)cc1/C=N\N1CCN(c2ccccn2)CC1	ZINC000015658717	507053481	/nfs/dbraw/zinc/05/34/81/507053481.db2.gz	AEYANVWFSYEDQT-UNOMPAQXSA-N	0	0	361.243	2.706	10	30		FFEERN
C[C@H](C#N)NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1	ZINC000068924992	507363223	/nfs/dbraw/zinc/36/32/23/507363223.db2.gz	AXRQREIOFJABLC-GFCCVEGCSA-N	0	0	366.377	2.534	10	30		FFEERN
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O	ZINC000062904090	507687162	/nfs/dbraw/zinc/68/71/62/507687162.db2.gz	BJFZMJPTXCLGAX-HNNXBMFYSA-N	0	0	373.412	2.758	10	30		FFEERN
N#C[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1	ZINC000108834464	507921143	/nfs/dbraw/zinc/92/11/43/507921143.db2.gz	WTEYHGSOWRRDTC-FZMZJTMJSA-N	0	0	352.221	2.765	10	30		FFEERN
COc1cc(CCC(=O)N[C@H](C#N)C2CC2)ccc1OCC(F)(F)F	ZINC000108838766	507921259	/nfs/dbraw/zinc/92/12/59/507921259.db2.gz	SXDKQVDXAOGHLU-CYBMUJFWSA-N	0	0	356.344	2.987	10	30		FFEERN
N#CCCN(C(=O)CCC(=O)N[C@@H]1COc2ccccc21)c1ccccc1	ZINC000108891970	507923698	/nfs/dbraw/zinc/92/36/98/507923698.db2.gz	ZBCDKDSGAVFFDC-GOSISDBHSA-N	0	0	363.417	2.963	10	30		FFEERN
Cc1c([C@H](C)NS(=O)(=O)CCCCC#N)cnn1-c1ccc(F)cc1	ZINC000109337904	507956196	/nfs/dbraw/zinc/95/61/96/507956196.db2.gz	OAVPFMYCVXVYTK-ZDUSSCGKSA-N	0	0	364.446	2.994	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCC[C@H](c3nncn3CC)C2)cc1OC	ZINC000109856714	507992935	/nfs/dbraw/zinc/99/29/35/507992935.db2.gz	NJCNQMDPISYOHF-INIZCTEOSA-N	0	0	370.453	2.891	10	30		FFEERN
CCCC(=O)N[C@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1	ZINC000101564928	508246897	/nfs/dbraw/zinc/24/68/97/508246897.db2.gz	HRQLHODCOFEAJB-HNNXBMFYSA-N	0	0	374.510	2.621	10	30		FFEERN
Cc1nc([C@@H](NC(=O)c2ccccc2OCC#N)c2ccccc2F)no1	ZINC000114650215	508334220	/nfs/dbraw/zinc/33/42/20/508334220.db2.gz	KXUNTYPMSNCERJ-KRWDZBQOSA-N	0	0	366.352	2.939	10	30		FFEERN
COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000134505668	508541108	/nfs/dbraw/zinc/54/11/08/508541108.db2.gz	FVLPGOAZKVQQTI-CYBMUJFWSA-N	0	0	360.805	2.606	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)cc1Cl	ZINC000122476454	508541929	/nfs/dbraw/zinc/54/19/29/508541929.db2.gz	GJJVFMXWMQYXDN-UHFFFAOYSA-N	0	0	350.831	2.503	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCCn2nc(COC)nc21	ZINC000153181845	508556294	/nfs/dbraw/zinc/55/62/94/508556294.db2.gz	QINIAAQMCPWRCI-CQSZACIVSA-N	0	0	361.471	2.719	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc1Cl	ZINC000122732668	508579796	/nfs/dbraw/zinc/57/97/96/508579796.db2.gz	WMPVCBWPVPGIRK-CZUORRHYSA-N	0	0	354.859	2.527	10	30		FFEERN
CN1C(=O)C[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)cc1	ZINC000128712247	508633044	/nfs/dbraw/zinc/63/30/44/508633044.db2.gz	BILJKJQIEKJOAW-QAPCUYQASA-N	0	0	355.344	2.995	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)c1	ZINC000123405567	508681313	/nfs/dbraw/zinc/68/13/13/508681313.db2.gz	SXCCTYWSKXSUHB-OZSKJFCKSA-N	0	0	367.355	2.771	10	30		FFEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000123862913	508749579	/nfs/dbraw/zinc/74/95/79/508749579.db2.gz	ZVOZEJTVDMQJSP-ZWKOTPCHSA-N	0	0	374.437	2.974	10	30		FFEERN
C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@H](O)C(C)C)nc1C	ZINC000159499780	508850715	/nfs/dbraw/zinc/85/07/15/508850715.db2.gz	PBGPEBHPYCJEDG-JTQLQIEISA-N	0	0	367.500	2.530	10	30		FFEERN
CN1CCO[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1	ZINC000150774170	508890493	/nfs/dbraw/zinc/89/04/93/508890493.db2.gz	LOMWBSDWDQNQGO-IBGZPJMESA-N	0	0	366.421	2.803	10	30		FFEERN
N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCCc2cc(F)ccc21	ZINC000155357458	508984261	/nfs/dbraw/zinc/98/42/61/508984261.db2.gz	FGXUPDVHCYNYKL-QGZVFWFLSA-N	0	0	355.344	2.969	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)c1nnc2n1CCCC2	ZINC000132432595	509031568	/nfs/dbraw/zinc/03/15/68/509031568.db2.gz	CFFRBJYSBZQNME-LBPRGKRZSA-N	0	0	357.389	2.648	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1	ZINC000132813032	509078093	/nfs/dbraw/zinc/07/80/93/509078093.db2.gz	DVLHKBQZEPDMLE-SFHVURJKSA-N	0	0	355.369	2.686	10	30		FFEERN
CCCn1cc(CN2CCCN(C(=O)c3ccc(C#N)cc3C)CC2)cn1	ZINC000121121610	509132818	/nfs/dbraw/zinc/13/28/18/509132818.db2.gz	SKODILBSSSAMHQ-UHFFFAOYSA-N	0	0	365.481	2.821	10	30		FFEERN
C=C(C)[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccc(F)c(F)c1	ZINC000185454086	509185382	/nfs/dbraw/zinc/18/53/82/509185382.db2.gz	JNRJTQYSEOSLNP-CRAIPNDOSA-N	0	0	365.424	2.698	10	30		FFEERN
Cc1ccc(-n2nc(CCCNC(=O)N[C@@H](C)C(C)C)c(C#N)c2N)cc1	ZINC000175874664	509191703	/nfs/dbraw/zinc/19/17/03/509191703.db2.gz	ZPVHCBRIGCAVCA-HNNXBMFYSA-N	0	0	368.485	2.911	10	30		FFEERN
C=C(C)[C@H](NC(=O)N1CCC[C@@H](NC(C)=O)C1)c1ccc(F)c(F)c1	ZINC000185482904	509198751	/nfs/dbraw/zinc/19/87/51/509198751.db2.gz	MZKSUGPRGRZTPO-PBHICJAKSA-N	0	0	351.397	2.892	10	30		FFEERN
Cc1cc(C#N)ccc1C(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1	ZINC000191910133	509242100	/nfs/dbraw/zinc/24/21/00/509242100.db2.gz	WNKWAMDDDXXSHL-UHFFFAOYSA-N	0	0	371.481	2.745	10	30		FFEERN
CC(C)(C)OC(=O)N1CCC[C@H]1CN(C(=O)c1cc(C#N)c[nH]1)C1CC1	ZINC000191932644	509250696	/nfs/dbraw/zinc/25/06/96/509250696.db2.gz	KQVWSZZOKPPYRH-HNNXBMFYSA-N	0	0	358.442	2.890	10	30		FFEERN
N#Cc1cc(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)ccc1F	ZINC000172968398	509328198	/nfs/dbraw/zinc/32/81/98/509328198.db2.gz	HVTGKPXNCKEOBZ-QGZVFWFLSA-N	0	0	352.369	2.726	10	30		FFEERN
N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[C@@H]3C3CCCCC3)C2=O)cc1	ZINC000192124649	509358156	/nfs/dbraw/zinc/35/81/56/509358156.db2.gz	ALFQQPSLMRRRSK-AABGKKOBSA-N	0	0	365.477	2.992	10	30		FFEERN
Cc1ccc([C@H](CNC(=O)c2cccc(C#N)c2)N2CCOCC2)s1	ZINC000176549894	509578249	/nfs/dbraw/zinc/57/82/49/509578249.db2.gz	SEYVULSAAALZEV-KRWDZBQOSA-N	0	0	355.463	2.732	10	30		FFEERN
N#C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCO1	ZINC000249133332	509617354	/nfs/dbraw/zinc/61/73/54/509617354.db2.gz	VDHMBMBRFAJANO-STQMWFEESA-N	0	0	369.252	2.506	10	30		FFEERN
Cc1ccc([C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CCO2)o1	ZINC000167761770	509639661	/nfs/dbraw/zinc/63/96/61/509639661.db2.gz	QMFXWAVOEJAOTN-MRXNPFEDSA-N	0	0	366.826	2.875	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)no1	ZINC000173645388	509695521	/nfs/dbraw/zinc/69/55/21/509695521.db2.gz	DTFSQOKHRNMFOB-HNNXBMFYSA-N	0	0	364.409	2.754	10	30		FFEERN
C#Cc1cccc(NC(=O)C(=O)N2CC3(CCOCC3)c3ccccc32)c1	ZINC000192928550	509702659	/nfs/dbraw/zinc/70/26/59/509702659.db2.gz	IQFWLKJSAPAWQB-UHFFFAOYSA-N	0	0	360.413	2.701	10	30		FFEERN
CCc1nc(C2(NCCC(=O)Nc3sccc3C#N)CCCC2)no1	ZINC000173698414	509726950	/nfs/dbraw/zinc/72/69/50/509726950.db2.gz	UISKIPAARIBQPA-UHFFFAOYSA-N	0	0	359.455	2.953	10	30		FFEERN
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1	ZINC000173766140	509764570	/nfs/dbraw/zinc/76/45/70/509764570.db2.gz	HKCWIGTURSXUOZ-UXHICEINSA-N	0	0	362.429	2.721	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cn1	ZINC000183666751	509914952	/nfs/dbraw/zinc/91/49/52/509914952.db2.gz	LGVSPVCVXROTFD-BQYQJAHWSA-N	0	0	360.333	2.699	10	30		FFEERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(c2nc(C(F)(F)F)ccc2C#N)C1	ZINC000190086918	509931803	/nfs/dbraw/zinc/93/18/03/509931803.db2.gz	UHDCRFRRNKXJML-GHMZBOCLSA-N	0	0	353.304	2.630	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)n1	ZINC000187069385	510036938	/nfs/dbraw/zinc/03/69/38/510036938.db2.gz	ZYRSXQMCTPCQOD-GOSISDBHSA-N	0	0	363.465	2.737	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)CSCc2ccc(C#N)cc2)C12CCOCC2	ZINC000187085611	510047367	/nfs/dbraw/zinc/04/73/67/510047367.db2.gz	WFSFPEYNNNWJSQ-ZWKOTPCHSA-N	0	0	374.506	2.882	10	30		FFEERN
CN1c2ccccc2N(C)C1=C1C(=O)CN([C@@H]2CCC[C@@H]3OCC[C@@H]32)C1=N	ZINC000245764683	510137110	/nfs/dbraw/zinc/13/71/10/510137110.db2.gz	IYNCKUMVMXXBCY-LBTNJELSSA-N	0	0	366.465	2.604	10	30		FFEERN
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](n3cncn3)C2)cc1	ZINC000171526795	510209896	/nfs/dbraw/zinc/20/98/96/510209896.db2.gz	MOZSQHYPFZDPBI-MJGOQNOKSA-N	0	0	366.469	2.559	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCC(c3ccnn3CCO)CC2)c1C	ZINC000171640099	510267871	/nfs/dbraw/zinc/26/78/71/510267871.db2.gz	ZZPPYGNVLFRHDS-UHFFFAOYSA-N	0	0	370.497	2.542	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)cn1	ZINC000184585774	510401802	/nfs/dbraw/zinc/40/18/02/510401802.db2.gz	GHXQPBABRDKSSX-QZTJIDSGSA-N	0	0	374.404	2.791	10	30		FFEERN
CC[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1	ZINC000178058942	510407236	/nfs/dbraw/zinc/40/72/36/510407236.db2.gz	LIJZVLHFEZAIBC-INIZCTEOSA-N	0	0	352.350	2.672	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000188054130	510569293	/nfs/dbraw/zinc/56/92/93/510569293.db2.gz	XRSUSWOGDOQKEE-OAHLLOKOSA-N	0	0	370.430	2.739	10	30		FFEERN
COc1ccc([C@H](C)NS(=O)(=O)c2cc(C#N)ccc2C)cc1OC	ZINC000172179529	510585973	/nfs/dbraw/zinc/58/59/73/510585973.db2.gz	DBNBOHAJADWRKD-ZDUSSCGKSA-N	0	0	360.435	2.923	10	30		FFEERN
N#Cc1ccsc1N1CC[C@H](N2CC[C@H](CNc3ccccn3)C2)C1=O	ZINC000246616758	510586368	/nfs/dbraw/zinc/58/63/68/510586368.db2.gz	YOSCGDKKWJESJF-ZBFHGGJFSA-N	0	0	367.478	2.554	10	30		FFEERN
C#CCOc1ccccc1NC(=O)N1CCC[C@H](c2nncn2CC)C1	ZINC000188135434	510612202	/nfs/dbraw/zinc/61/22/02/510612202.db2.gz	WPEWIYXKJSSEAV-HNNXBMFYSA-N	0	0	353.426	2.722	10	30		FFEERN
N#C[C@@H]1CN(C(=O)N[C@H]2COc3ccccc32)CCN1Cc1ccccc1	ZINC000246808151	510687937	/nfs/dbraw/zinc/68/79/37/510687937.db2.gz	UMCNWJSGKLOTTR-MJGOQNOKSA-N	0	0	362.433	2.540	10	30		FFEERN
N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1	ZINC000172487640	510751321	/nfs/dbraw/zinc/75/13/21/510751321.db2.gz	HTFCXNHBZYFTEL-ZBFHGGJFSA-N	0	0	359.332	2.939	10	30		FFEERN
N#CCC[C@H](NC(=O)NCc1cccnc1-n1cncn1)c1ccccc1	ZINC000178784827	510770221	/nfs/dbraw/zinc/77/02/21/510770221.db2.gz	JCGMZJRPOYKRDL-KRWDZBQOSA-N	0	0	361.409	2.507	10	30		FFEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CCOc3c(C)cccc32)C1	ZINC000330193409	510933560	/nfs/dbraw/zinc/93/35/60/510933560.db2.gz	YNJIGYPSKNQFLE-NUEKZKHPSA-N	0	0	372.425	2.886	10	30		FFEERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cnc3c(c2)CCCC3)C1	ZINC000330194831	510935166	/nfs/dbraw/zinc/93/51/66/510935166.db2.gz	BHXRMPQIAJXJHR-GDBMZVCRSA-N	0	0	357.414	2.659	10	30		FFEERN
N#Cc1c[nH]c(C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C2CCCC2)c1	ZINC000361235287	511018227	/nfs/dbraw/zinc/01/82/27/511018227.db2.gz	ZQNVMSZZEPJUFF-ROUUACIJSA-N	0	0	354.454	2.672	10	30		FFEERN
Cc1noc([C@@H]2CN(c3ccc(C#N)cc3Br)CCN2C)n1	ZINC000284623770	511798932	/nfs/dbraw/zinc/79/89/32/511798932.db2.gz	SUHBGEAEVAZJAW-AWEZNQCLSA-N	0	0	362.231	2.505	10	30		FFEERN
Cc1noc([C@@H]2CN(c3c(C#N)cnc4c(C)cc(C)cc43)CCN2C)n1	ZINC000284697478	511829825	/nfs/dbraw/zinc/82/98/25/511829825.db2.gz	YLUIMMGOYIEBEA-KRWDZBQOSA-N	0	0	362.437	2.908	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H](c3nc(C)no3)C1)CCC2	ZINC000328656231	511909483	/nfs/dbraw/zinc/90/94/83/511909483.db2.gz	NNTZYOYNAYKPTL-GJZGRUSLSA-N	0	0	358.446	2.554	10	30		FFEERN
C[C@@H](C(=O)N1CCC(C)CC1)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000328661996	511910847	/nfs/dbraw/zinc/91/08/47/511910847.db2.gz	AOBRETQRBLBUHK-CKJXQJPGSA-N	0	0	366.465	2.628	10	30		FFEERN
C[C@@H](C(=O)N1CCC(C)CC1)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000328661998	511911328	/nfs/dbraw/zinc/91/13/28/511911328.db2.gz	AOBRETQRBLBUHK-MRUHUIDDSA-N	0	0	366.465	2.628	10	30		FFEERN
Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1CCC[C@H](Cc3noc(C)n3)C1)CCC2	ZINC000328659728	511911339	/nfs/dbraw/zinc/91/13/39/511911339.db2.gz	UBRZFWZCQDPZKD-CVEARBPZSA-N	0	0	372.473	2.629	10	30		FFEERN
CO[C@H](C)c1nsc(N2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)n1	ZINC000328816915	511935974	/nfs/dbraw/zinc/93/59/74/511935974.db2.gz	PWOSZFQXEZWVSL-MWLCHTKSSA-N	0	0	350.448	2.961	10	30		FFEERN
Cc1ncc(-c2ccccc2)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCCN2C	ZINC000328853593	511941345	/nfs/dbraw/zinc/94/13/45/511941345.db2.gz	WDMNOHNHMOILNM-MOPGFXCFSA-N	0	0	352.438	2.617	10	30		FFEERN
Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1	ZINC000328891786	511946255	/nfs/dbraw/zinc/94/62/55/511946255.db2.gz	SQSRDGSTOCVVGF-OKMQIQTRSA-N	0	0	371.485	2.942	10	30		FFEERN
C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)[C@@H]1C	ZINC000328995368	511962657	/nfs/dbraw/zinc/96/26/57/511962657.db2.gz	WHCCOLWSWFAUHY-VAKMMLMKSA-N	0	0	373.501	2.553	10	30		FFEERN
CSc1nnc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)s1	ZINC000329010503	511966446	/nfs/dbraw/zinc/96/64/46/511966446.db2.gz	DLLDPGZOJJLHPU-BXKDBHETSA-N	0	0	353.473	2.618	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC(=O)N1C	ZINC000329061428	511975530	/nfs/dbraw/zinc/97/55/30/511975530.db2.gz	UVJJGSQOHJIVOR-YAFCLFEMSA-N	0	0	373.501	2.554	10	30		FFEERN
CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1	ZINC000329068947	511977291	/nfs/dbraw/zinc/97/72/91/511977291.db2.gz	XXCNQWNEIOVLBU-QZWWFDLISA-N	0	0	351.491	2.581	10	30		FFEERN
CC(C)[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)N1C[C@@H](C)O[C@H](C)C1	ZINC000329116750	511985524	/nfs/dbraw/zinc/98/55/24/511985524.db2.gz	NNMKAQRRISJZTD-GZMRBYKVSA-N	0	0	351.491	2.974	10	30		FFEERN
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC1([S@](C)=O)CC1	ZINC000329118404	511987087	/nfs/dbraw/zinc/98/70/87/511987087.db2.gz	JKIPDEFWGMZWTI-CAQPCFEESA-N	0	0	353.488	2.799	10	30		FFEERN
CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1	ZINC000329162807	511995882	/nfs/dbraw/zinc/99/58/82/511995882.db2.gz	GDHGQRWXRRWVJV-IHETXDGRSA-N	0	0	364.511	2.774	10	30		FFEERN
C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1	ZINC000329179905	512000142	/nfs/dbraw/zinc/00/01/42/512000142.db2.gz	MWGDFUWCYOKVNL-QHHYFVSCSA-N	0	0	373.501	2.697	10	30		FFEERN
CC(C)(C)[C@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1cccs1	ZINC000329177492	512000527	/nfs/dbraw/zinc/00/05/27/512000527.db2.gz	MUWAQCBWMWIECT-JGGQBBKZSA-N	0	0	370.540	2.911	10	30		FFEERN
CNC(=O)C1CCC(NC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)CC1	ZINC000329212252	512006869	/nfs/dbraw/zinc/00/68/69/512006869.db2.gz	ZTJJXRVKSSSGTK-WLYUNCDWSA-N	0	0	363.462	2.692	10	30		FFEERN
CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H]1COCCN1CC1CCC1)CC2	ZINC000329284355	512019847	/nfs/dbraw/zinc/01/98/47/512019847.db2.gz	NWKMVSCDFNWXKY-MJGOQNOKSA-N	0	0	360.502	2.779	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O	ZINC000329297952	512022751	/nfs/dbraw/zinc/02/27/51/512022751.db2.gz	UDCSBZKLQHVZSJ-QWHDWNGZSA-N	0	0	365.474	2.852	10	30		FFEERN
CN(C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)C1CCC(C)(C)CC1	ZINC000329362411	512034166	/nfs/dbraw/zinc/03/41/66/512034166.db2.gz	YZDXTRNEVHBWMU-RHSMWYFYSA-N	0	0	361.490	2.507	10	30		FFEERN
CC(C)C[C@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C	ZINC000329362400	512034176	/nfs/dbraw/zinc/03/41/76/512034176.db2.gz	YYSXPQZLMMGGHR-IIDMSEBBSA-N	0	0	361.490	2.507	10	30		FFEERN
CN1CC[C@H](NC(=O)N[C@@H]2CCCCC[C@H]2O)[C@H]1c1ccc(F)c(F)c1	ZINC000329387107	512038633	/nfs/dbraw/zinc/03/86/33/512038633.db2.gz	QTXVXEAENRJEMT-XMTFNYHQSA-N	0	0	367.440	2.907	10	30		FFEERN
Cc1ncc(CN2CCN(C(=O)NCCOC3CCCCC3)CC2)s1	ZINC000329426626	512044806	/nfs/dbraw/zinc/04/48/06/512044806.db2.gz	HCNSFRIVBRFFDR-UHFFFAOYSA-N	0	0	366.531	2.832	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)C1	ZINC000329465746	512053251	/nfs/dbraw/zinc/05/32/51/512053251.db2.gz	VRJVCBKKGNZWAH-MHORFTMASA-N	0	0	365.518	2.827	10	30		FFEERN
C[C@@H]1CN(c2ccccc2NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C[C@H](C)O1	ZINC000329513364	512061152	/nfs/dbraw/zinc/06/11/52/512061152.db2.gz	LKMGJBMOELCXGY-POORBHPNSA-N	0	0	360.454	2.940	10	30		FFEERN
N#CC1(CS(=O)(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)CCCCC1	ZINC000408025682	512986708	/nfs/dbraw/zinc/98/67/08/512986708.db2.gz	AYCPBBSNTSZHSA-DLBZAZTESA-N	0	0	366.458	2.737	10	30		FFEERN
N#Cc1ccsc1C(=O)N1CCC[C@@H](Cc2nnc3ccccn32)C1	ZINC000370695628	513057512	/nfs/dbraw/zinc/05/75/12/513057512.db2.gz	BWJRHEKDHFVOFW-ZDUSSCGKSA-N	0	0	351.435	2.757	10	30		FFEERN
CCOC(=O)c1c(C#N)ccc(OC(F)F)c1I	ZINC000575385917	518207744	/nfs/dbraw/zinc/20/77/44/518207744.db2.gz	FVSXBRIXDQOQTE-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
CCOC(=O)c1ccc(OC(F)F)c(I)c1C#N	ZINC000575385905	518208328	/nfs/dbraw/zinc/20/83/28/518208328.db2.gz	FDPZSSIXGOUEIE-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
COC(=O)Cc1ccc(I)c(C(F)F)c1C#N	ZINC000575389492	518208708	/nfs/dbraw/zinc/20/87/08/518208708.db2.gz	QMQZJYYOONYEEK-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)c1ccc(I)c(C(F)(F)F)c1C#N	ZINC000575392992	518210232	/nfs/dbraw/zinc/21/02/32/518210232.db2.gz	UELWOIRADVEGHH-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
O=C(/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)C[C@H]12)COc1cccc(C(F)(F)F)c1	ZINC000096675080	527600128	/nfs/dbraw/zinc/60/01/28/527600128.db2.gz	XJNCPPYAVBPUKN-UNOIKEQMSA-N	0	0	370.323	2.522	10	30		FFEERN
Cn1nccc1CCC(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000328626351	527601540	/nfs/dbraw/zinc/60/15/40/527601540.db2.gz	LPLPBMHLTZJQNA-NSHDSACASA-N	0	0	355.364	2.787	10	30		FFEERN
C#CCCCCNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1	ZINC000155944985	728838935	/nfs/dbraw/zinc/83/89/35/728838935.db2.gz	AGQAILYXSCCOSX-GOSISDBHSA-N	0	0	364.511	2.608	10	30		FFEERN
COC(=O)[C@H]1C[C@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000157738247	728876428	/nfs/dbraw/zinc/87/64/28/728876428.db2.gz	YAFWINUQJQQVEQ-CRCLSJGQSA-N	0	0	358.181	2.510	10	30		FFEERN
CCOCCOCC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000105758198	728508373	/nfs/dbraw/zinc/50/83/73/728508373.db2.gz	HKAJVQVUMZWBRQ-ZDUSSCGKSA-N	0	0	359.209	2.694	10	30		FFEERN
C#CCOc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cc1	ZINC000108186876	728520431	/nfs/dbraw/zinc/52/04/31/728520431.db2.gz	GZSKUIXFHYSOMF-QGZVFWFLSA-N	0	0	358.463	2.729	10	30		FFEERN
CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCC(C#N)CC1	ZINC000173804953	729054495	/nfs/dbraw/zinc/05/44/95/729054495.db2.gz	ASRYLEPZTKVUMW-CABCVRRESA-N	0	0	350.463	2.625	10	30		FFEERN
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)c1cccs1	ZINC000178134535	729154449	/nfs/dbraw/zinc/15/44/49/729154449.db2.gz	VMZXLBAKZPVLSP-VXGBXAGGSA-N	0	0	364.448	2.591	10	30		FFEERN
C[C@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)c1ccc(Cl)s1	ZINC000330107955	729799777	/nfs/dbraw/zinc/79/97/77/729799777.db2.gz	MWKBASHAPVPPGN-VIFPVBQESA-N	0	0	352.847	2.529	10	30		FFEERN
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H](C)c1csc(C)n1)CC2	ZINC000330163307	729800143	/nfs/dbraw/zinc/80/01/43/729800143.db2.gz	VCWYKARFZPLTMV-TUKIKUTGSA-N	0	0	353.488	2.678	10	30		FFEERN
Cn1nccc1[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@@H]2C#N)CCC(=O)N1C1CC1	ZINC000328922961	965052662	/nfs/dbraw/zinc/05/26/62/965052662.db2.gz	USDWOQFSSQLVMM-DRRHNWJESA-N	0	0	355.442	2.511	10	30		FFEERN
CCC1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000192306253	999977972	/nfs/dbraw/zinc/97/79/72/999977972.db2.gz	DXLOZZAOGMTPIV-XUJQIHCRSA-N	0	0	368.481	2.927	10	30		FFEERN
C#Cc1cccc(N(C)C(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)c1	ZINC000103031761	1000010304	/nfs/dbraw/zinc/01/03/04/1000010304.db2.gz	VGMXWBDRSBBRCH-HXUWFJFHSA-N	0	0	350.418	2.907	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccccc3F)cc2C1=O	ZINC000004789786	1012488771	/nfs/dbraw/zinc/48/87/71/1012488771.db2.gz	CGNSRSFSKYKTOP-UHFFFAOYSA-N	0	0	367.332	2.647	10	30		FFEERN
COc1cccc(/C=N/NC(=S)N[C@H]2C[C@H]3C[C@@H]2[C@@H]2C=CC[C@@H]32)c1O	ZINC000013657726	220081688	/nfs/dbraw/zinc/08/16/88/220081688.db2.gz	QYKCAWDUGQXKDS-XQKWHCMGSA-N	0	0	357.479	2.800	10	30		FFEERN
O=[N+]([O-])c1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1	ZINC000015987980	220174936	/nfs/dbraw/zinc/17/49/36/220174936.db2.gz	GNZKYWDVQRKXDL-YVLHZVERSA-N	0	0	355.379	2.936	10	30		FFEERN
CN1CCO[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1	ZINC000105283625	250207289	/nfs/dbraw/zinc/20/72/89/250207289.db2.gz	SZBJMVQZHSCONJ-SFHVURJKSA-N	0	0	366.421	2.803	10	30		FFEERN
CCc1nnc(Nc2ccc(CCS(C)(=O)=O)cc2)c(C#N)c1CC	ZINC000120153422	250553189	/nfs/dbraw/zinc/55/31/89/250553189.db2.gz	SOKLQAJEQVCNFL-UHFFFAOYSA-N	0	0	358.467	2.804	10	30		FFEERN
CCOc1cc(C)nc(N2CCN(c3cc(C#N)ccc3C(C)=O)CC2)n1	ZINC000302083179	258087280	/nfs/dbraw/zinc/08/72/80/258087280.db2.gz	DBEAYSNYKPTTCH-UHFFFAOYSA-N	0	0	365.437	2.585	10	30		FFEERN
N#Cc1c(N)sc2c1CCN(c1ccccc1S(=O)(=O)C(F)F)C2	ZINC000301547530	258055311	/nfs/dbraw/zinc/05/53/11/258055311.db2.gz	UJOZRVCKNZXLNP-UHFFFAOYSA-N	0	0	369.418	2.761	10	30		FFEERN
N#Cc1cnc2ccccc2c1NCCNc1nnnn1-c1ccccc1	ZINC000301763934	258066573	/nfs/dbraw/zinc/06/65/73/258066573.db2.gz	AMRHWMQBMFMUBP-UHFFFAOYSA-N	0	0	356.393	2.606	10	30		FFEERN
O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2ncccn2)CC1	ZINC000005772558	132306010	/nfs/dbraw/zinc/30/60/10/132306010.db2.gz	IQVHHNGEINIWKZ-UHFFFAOYSA-N	0	0	368.440	2.839	10	30		FFEERN
Cc1ccc([C@@H]2c3c(=O)[nH]c(=O)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004562817	506381701	/nfs/dbraw/zinc/38/17/01/506381701.db2.gz	DZWNFOJNTBKDDO-AWEZNQCLSA-N	0	0	351.406	2.572	10	30		FFEERN
NS(=O)(=O)c1ccc(N=NCc2cccc3ccccc32)c([N+](=O)[O-])c1	ZINC000004934783	506406446	/nfs/dbraw/zinc/40/64/46/506406446.db2.gz	WPJVHJKDUVNSNH-YBFXNURJSA-N	0	0	370.390	2.841	10	30		FFEERN
N#Cc1cnn(-c2ccc(C(=O)Nc3cccc(-c4ncon4)c3)cc2)c1N	ZINC000066241748	506456813	/nfs/dbraw/zinc/45/68/13/506456813.db2.gz	UOZCMUBTAWVDRK-UHFFFAOYSA-N	0	0	371.360	2.628	10	30		FFEERN
O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000043997166	506805986	/nfs/dbraw/zinc/80/59/86/506805986.db2.gz	LJCVFEJHQYFPSW-QMMMGPOBSA-N	0	0	357.317	2.915	10	30		FFEERN
COc1ccccc1C(=O)N[C@H](C(=O)NCc1cccc(C#N)c1)C(C)C	ZINC000045406111	506961127	/nfs/dbraw/zinc/96/11/27/506961127.db2.gz	NNOIFZLGBFEVPO-IBGZPJMESA-N	0	0	365.433	2.638	10	30		FFEERN
N#Cc1ccc(C(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)nc1	ZINC000107596321	507858959	/nfs/dbraw/zinc/85/89/59/507858959.db2.gz	PMYBWJYZDMNZCI-UHFFFAOYSA-N	0	0	373.416	2.566	10	30		FFEERN
CCc1nc(CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)cs1	ZINC000107869084	507871199	/nfs/dbraw/zinc/87/11/99/507871199.db2.gz	NSFDLOICXGYDGS-UHFFFAOYSA-N	0	0	372.450	2.643	10	30		FFEERN
CCn1cc(C2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)cn1	ZINC000089831009	507872052	/nfs/dbraw/zinc/87/20/52/507872052.db2.gz	YURGXBXGDSOIKB-UHFFFAOYSA-N	0	0	352.438	2.754	10	30		FFEERN
CC(=O)N1CSC[C@H]1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	ZINC000108818941	507920043	/nfs/dbraw/zinc/92/00/43/507920043.db2.gz	JTJSLUPUHXGRQD-NEPJUHHUSA-N	0	0	358.250	2.596	10	30		FFEERN
Cc1sc2ncnc(N3CCC(C(=O)N[C@@H](C#N)C4CC4)CC3)c2c1C	ZINC000108831429	507921339	/nfs/dbraw/zinc/92/13/39/507921339.db2.gz	DWRBOEHNKLCLNA-HNNXBMFYSA-N	0	0	369.494	2.943	10	30		FFEERN
CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H](C#N)C1CC1	ZINC000108830459	507921455	/nfs/dbraw/zinc/92/14/55/507921455.db2.gz	OHVNLZSTANAWRT-GXTWGEPZSA-N	0	0	366.508	2.769	10	30		FFEERN
N#C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CC1	ZINC000108838289	507921519	/nfs/dbraw/zinc/92/15/19/507921519.db2.gz	LBNBFSFBGLGDNV-KRWDZBQOSA-N	0	0	355.419	2.519	10	30		FFEERN
C=CCOc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C	ZINC000109107255	507939628	/nfs/dbraw/zinc/93/96/28/507939628.db2.gz	HYVTVZBLDLQIMC-GOSISDBHSA-N	0	0	352.434	2.681	10	30		FFEERN
N#Cc1ccccc1OCCN1CCCN(C(=O)c2cccs2)CC1	ZINC000112351715	508177337	/nfs/dbraw/zinc/17/73/37/508177337.db2.gz	BVOZWOZPFZOLBV-UHFFFAOYSA-N	0	0	355.463	2.847	10	30		FFEERN
C[C@H](NC(=O)Nc1ccccc1)C(=O)N(CCC#N)Cc1cccnc1	ZINC000112882848	508228979	/nfs/dbraw/zinc/22/89/79/508228979.db2.gz	FOCZQIWJQOXWKV-HNNXBMFYSA-N	0	0	351.410	2.534	10	30		FFEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000083559636	508248300	/nfs/dbraw/zinc/24/83/00/508248300.db2.gz	DCMLIJWESNPUOI-CQSZACIVSA-N	0	0	354.414	2.902	10	30		FFEERN
C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000077498743	508323818	/nfs/dbraw/zinc/32/38/18/508323818.db2.gz	JQPYGUUKMJBXRE-NSHDSACASA-N	0	0	361.398	2.984	10	30		FFEERN
CCCn1cc(CN2CCCN(c3ncc(C#N)cc3Cl)CC2)cn1	ZINC000114709619	508339550	/nfs/dbraw/zinc/33/95/50/508339550.db2.gz	OYZFJQSZGWSXIJ-UHFFFAOYSA-N	0	0	358.877	2.925	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCN([C@H](C)c3nc(C)no3)CC2)c1C	ZINC000106133991	508396058	/nfs/dbraw/zinc/39/60/58/508396058.db2.gz	RBMRDCQQWXJHQR-MRXNPFEDSA-N	0	0	371.485	2.544	10	30		FFEERN
N#Cc1ccc(C(F)(F)F)nc1N1CCN(CC2CCCC2)C(=O)C1	ZINC000158398582	508697878	/nfs/dbraw/zinc/69/78/78/508697878.db2.gz	VLCYUVHGWJMLRQ-UHFFFAOYSA-N	0	0	352.360	2.811	10	30		FFEERN
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2nccs2)C1	ZINC000123578503	508708815	/nfs/dbraw/zinc/70/88/15/508708815.db2.gz	HDNROSUKBSXGJP-HNNXBMFYSA-N	0	0	357.435	2.772	10	30		FFEERN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000151141763	508965106	/nfs/dbraw/zinc/96/51/06/508965106.db2.gz	HMRDBFJIEPZYKO-HOTGVXAUSA-N	0	0	368.441	2.604	10	30		FFEERN
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1	ZINC000132283514	509010294	/nfs/dbraw/zinc/01/02/94/509010294.db2.gz	KXWLTCKLCMQSOY-OLZOCXBDSA-N	0	0	356.455	2.809	10	30		FFEERN
CN(C(=O)Nc1ccc(CC#N)cc1)[C@H]1CCCN(c2cccnn2)C1	ZINC000133087780	509114910	/nfs/dbraw/zinc/11/49/10/509114910.db2.gz	UVAFGLBAOCUQCY-KRWDZBQOSA-N	0	0	350.426	2.675	10	30		FFEERN
CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000152038437	509134656	/nfs/dbraw/zinc/13/46/56/509134656.db2.gz	YJMZVSQVFZSTRI-PYUISTEWSA-N	0	0	365.437	2.968	10	30		FFEERN
C=C(C)C[C@H](C)C(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1	ZINC000185544941	509231768	/nfs/dbraw/zinc/23/17/68/509231768.db2.gz	HQPYHIJKDFDONA-AWEZNQCLSA-N	0	0	352.910	2.882	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(CC#N)c2)CC1	ZINC000191907849	509240670	/nfs/dbraw/zinc/24/06/70/509240670.db2.gz	VIISVAITAHXUAG-UHFFFAOYSA-N	0	0	371.481	2.631	10	30		FFEERN
N#CCCN(C(=O)CN1CCC[C@@H](n2cncn2)C1)c1cccc(Cl)c1	ZINC000162517072	509242973	/nfs/dbraw/zinc/24/29/73/509242973.db2.gz	SJVXFLKRRSQSLG-QGZVFWFLSA-N	0	0	372.860	2.515	10	30		FFEERN
Cc1ccccc1/C=C/C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192134347	509363725	/nfs/dbraw/zinc/36/37/25/509363725.db2.gz	CDBLZBBUORSRET-CFGKVWFZSA-N	0	0	359.429	2.797	10	30		FFEERN
CC[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1cccs1	ZINC000176265717	509411246	/nfs/dbraw/zinc/41/12/46/509411246.db2.gz	GWCGZEDBLDDREB-UONOGXRCSA-N	0	0	370.482	2.781	10	30		FFEERN
Cc1ccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2c2nc[nH]n2)cc1C	ZINC000182757939	509412786	/nfs/dbraw/zinc/41/27/86/509412786.db2.gz	YPLNQTHYYNHBBC-GOSISDBHSA-N	0	0	366.469	2.895	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000189109750	509414739	/nfs/dbraw/zinc/41/47/39/509414739.db2.gz	KPNVMYJPJYKBPH-KRWDZBQOSA-N	0	0	365.437	2.519	10	30		FFEERN
C=CC[C@H](C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1)c1ccccc1	ZINC000189401099	509557932	/nfs/dbraw/zinc/55/79/32/509557932.db2.gz	MGROPXPNGRTCKW-YJBOKZPZSA-N	0	0	354.454	2.943	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1	ZINC000189436608	509573407	/nfs/dbraw/zinc/57/34/07/509573407.db2.gz	RRAIPKZDCCAFOK-DZGCQCFKSA-N	0	0	374.372	2.523	10	30		FFEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1csc(C)n1	ZINC000189450892	509580836	/nfs/dbraw/zinc/58/08/36/509580836.db2.gz	UWFSQRNFGLGOCF-INIZCTEOSA-N	0	0	369.446	2.766	10	30		FFEERN
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC=C(c3cccs3)CC2)n1	ZINC000179732178	509595845	/nfs/dbraw/zinc/59/58/45/509595845.db2.gz	DXXUJAHUTONHIV-UHFFFAOYSA-N	0	0	369.450	2.652	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1nnc2n1CCCC2	ZINC000173626542	509682438	/nfs/dbraw/zinc/68/24/38/509682438.db2.gz	KDUUKDZXIQAGHX-GJZGRUSLSA-N	0	0	373.526	2.930	10	30		FFEERN
CC(C)c1nnc2n1C[C@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)CC2	ZINC000180083173	509744063	/nfs/dbraw/zinc/74/40/63/509744063.db2.gz	SMXNNAAEYSWMGA-UONOGXRCSA-N	0	0	368.441	2.829	10	30		FFEERN
N#Cc1ccsc1N1CC[C@@H](N2CC[C@H](CNc3ccccn3)C2)C1=O	ZINC000177034566	509829905	/nfs/dbraw/zinc/82/99/05/509829905.db2.gz	YOSCGDKKWJESJF-GDBMZVCRSA-N	0	0	367.478	2.554	10	30		FFEERN
CCn1cc([C@@H]2CN(C(=O)Nc3ccccc3O[C@@H](C)C#N)CCO2)cn1	ZINC000190170817	509985409	/nfs/dbraw/zinc/98/54/09/509985409.db2.gz	ASFYMOHMWDPXPB-KSSFIOAISA-N	0	0	369.425	2.799	10	30		FFEERN
Cc1nnc([C@@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)CCO2)[nH]1	ZINC000177350055	510007297	/nfs/dbraw/zinc/00/72/97/510007297.db2.gz	VOYSQLQFVNPNHG-HNNXBMFYSA-N	0	0	350.344	2.557	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1	ZINC000193698234	510023983	/nfs/dbraw/zinc/02/39/83/510023983.db2.gz	ZUIGQBZTQARICS-UHFFFAOYSA-N	0	0	361.401	2.713	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1	ZINC000171408566	510140760	/nfs/dbraw/zinc/14/07/60/510140760.db2.gz	VOMPDALAZKKERM-BBRMVZONSA-N	0	0	353.426	2.531	10	30		FFEERN
Cc1nc(C[C@H]2CCCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1	ZINC000171408632	510142048	/nfs/dbraw/zinc/14/20/48/510142048.db2.gz	JOSHPXDCTLQQGB-CYBMUJFWSA-N	0	0	373.844	2.796	10	30		FFEERN
C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1	ZINC000187274967	510164317	/nfs/dbraw/zinc/16/43/17/510164317.db2.gz	GPTBGVIKERNZIG-STQMWFEESA-N	0	0	368.355	2.874	10	30		FFEERN
Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1	ZINC000177667870	510190796	/nfs/dbraw/zinc/19/07/96/510190796.db2.gz	NHVIYAIIRSWKGS-HNNXBMFYSA-N	0	0	371.828	2.519	10	30		FFEERN
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1	ZINC000177796046	510257212	/nfs/dbraw/zinc/25/72/12/510257212.db2.gz	GIURMDKQUSAWEU-YJBOKZPZSA-N	0	0	372.469	2.530	10	30		FFEERN
CC(C)c1nnc2n1C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)CC2	ZINC000177837784	510280535	/nfs/dbraw/zinc/28/05/35/510280535.db2.gz	XWCLIOPYGCPBMC-OAHLLOKOSA-N	0	0	367.453	2.562	10	30		FFEERN
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1	ZINC000246221569	510372882	/nfs/dbraw/zinc/37/28/82/510372882.db2.gz	VVUAIZJTAXNMSN-RCCFBDPRSA-N	0	0	370.449	2.654	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)cn1	ZINC000184585806	510401811	/nfs/dbraw/zinc/40/18/11/510401811.db2.gz	GHXQPBABRDKSSX-ZWKOTPCHSA-N	0	0	374.404	2.791	10	30		FFEERN
N#Cc1ccc(CNC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1	ZINC000171849903	510408646	/nfs/dbraw/zinc/40/86/46/510408646.db2.gz	OJUUEYBLINZNIE-UHFFFAOYSA-N	0	0	368.462	2.677	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000181538890	510462081	/nfs/dbraw/zinc/46/20/81/510462081.db2.gz	NMVJYPNIGNEIHT-AWEZNQCLSA-N	0	0	368.441	2.808	10	30		FFEERN
CC#CCCCC(=O)N1CCC(N(CC)CC(=O)OC(C)(C)C)CC1	ZINC000191021215	510469304	/nfs/dbraw/zinc/46/93/04/510469304.db2.gz	ADZVHDGWAIFZAE-UHFFFAOYSA-N	0	0	350.503	2.835	10	30		FFEERN
N#Cc1ccc(NC(=O)CCN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1	ZINC000246479409	510512831	/nfs/dbraw/zinc/51/28/31/510512831.db2.gz	ABFWAIVJQPBGHH-APWZRJJASA-N	0	0	371.387	2.973	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O	ZINC000178311457	510539645	/nfs/dbraw/zinc/53/96/45/510539645.db2.gz	GTFSLUDMKLNNAW-UTKZUKDTSA-N	0	0	366.417	2.500	10	30		FFEERN
CCc1noc([C@@H](C)N2CCN(C(=O)Nc3cccc(C#N)c3C)CC2)n1	ZINC000178586038	510674730	/nfs/dbraw/zinc/67/47/30/510674730.db2.gz	DFMHNLBAWZFTSC-CQSZACIVSA-N	0	0	368.441	2.723	10	30		FFEERN
N#C[C@H]1CN(C(=O)N[C@H]2COc3ccccc32)CCN1Cc1ccccc1	ZINC000246808137	510687878	/nfs/dbraw/zinc/68/78/78/510687878.db2.gz	UMCNWJSGKLOTTR-HKUYNNGSSA-N	0	0	362.433	2.540	10	30		FFEERN
Cc1ccc([C@H]2CN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CCO2)o1	ZINC000246872255	510720617	/nfs/dbraw/zinc/72/06/17/510720617.db2.gz	QYOYNTLWRILJTL-PKOBYXMFSA-N	0	0	351.406	2.639	10	30		FFEERN
C#CCC(C)(C)C(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000191583849	510736455	/nfs/dbraw/zinc/73/64/55/510736455.db2.gz	TXRSSSWUWHTZOL-INIZCTEOSA-N	0	0	350.503	2.691	10	30		FFEERN
Cc1csc([C@@H]2CN(CC(=O)N(CCC#N)c3ccccc3)CCO2)n1	ZINC000195392726	510809862	/nfs/dbraw/zinc/80/98/62/510809862.db2.gz	PEHFPHQRVUGBBL-KRWDZBQOSA-N	0	0	370.478	2.772	10	30		FFEERN
Cc1cc(=O)[nH]cc1NC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O	ZINC000329963945	510888299	/nfs/dbraw/zinc/88/82/99/510888299.db2.gz	SURYCPDKCBRHAR-CYBMUJFWSA-N	0	0	369.377	2.508	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCSCC[C@@H]1C)CCC2	ZINC000330054605	510907445	/nfs/dbraw/zinc/90/74/45/510907445.db2.gz	SGFSYZVWMYBTGD-DZGCQCFKSA-N	0	0	352.504	2.648	10	30		FFEERN
CN1C(=O)CO[C@H](C(=O)N[C@@H]2COc3ccccc32)[C@H]1c1ccccc1	ZINC000330359887	510972553	/nfs/dbraw/zinc/97/25/53/510972553.db2.gz	WNVUKJPCZQJHSS-LZQZEXGQSA-N	0	0	352.390	2.675	10	30		FFEERN
C#CCNC(=O)CNc1ccnc2c(Cl)cc(Br)cc12	ZINC000302703334	511710180	/nfs/dbraw/zinc/71/01/80/511710180.db2.gz	BOKWXCVVZXJSGE-UHFFFAOYSA-N	0	0	352.619	2.812	10	30		FFEERN
COC(=O)c1c(I)ccc(Br)c1C#N	ZINC000306668749	511764760	/nfs/dbraw/zinc/76/47/60/511764760.db2.gz	ABUXOYPWJJKOND-UHFFFAOYSA-N	0	0	365.952	2.712	10	30		FFEERN
CC(C)c1noc([C@@]23CCC[C@@H]2CN(C(=O)c2ccc(C#N)cn2)C3)n1	ZINC000328603954	511891218	/nfs/dbraw/zinc/89/12/18/511891218.db2.gz	HUCPWPPYUMDGPK-AUUYWEPGSA-N	0	0	351.410	2.654	10	30		FFEERN
Cc1ncc(-c2ccccc2)cc1NC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1	ZINC000328853596	511941367	/nfs/dbraw/zinc/94/13/67/511941367.db2.gz	WDMNOHNHMOILNM-RTBURBONSA-N	0	0	352.438	2.617	10	30		FFEERN
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1	ZINC000328990118	511963172	/nfs/dbraw/zinc/96/31/72/511963172.db2.gz	VCDOFMHMWGBKGM-PVYRDQNTSA-N	0	0	374.485	2.898	10	30		FFEERN
C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@H]1CCCO[C@@H]1c1nccn1C	ZINC000329022455	511969461	/nfs/dbraw/zinc/96/94/61/511969461.db2.gz	IIQIQDGAWMCIRN-CBZIJGRNSA-N	0	0	369.469	2.764	10	30		FFEERN
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1	ZINC000329060135	511975105	/nfs/dbraw/zinc/97/51/05/511975105.db2.gz	NHFKUICUTIAJMO-PNKHAZJDSA-N	0	0	363.502	2.581	10	30		FFEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCO[C@H]1c1nccn1CC	ZINC000329077998	511978296	/nfs/dbraw/zinc/97/82/96/511978296.db2.gz	CSLKGRKCFPVBAC-UMVBOHGHSA-N	0	0	358.446	2.626	10	30		FFEERN
CCN1CCO[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)[C@@H]1c1ccccc1	ZINC000329080752	511979538	/nfs/dbraw/zinc/97/95/38/511979538.db2.gz	RIPCJAXZBNTRHH-HOJAQTOUSA-N	0	0	368.481	2.864	10	30		FFEERN
CCc1noc([C@@H](C)N2CCN(CC(=O)NC3CCCCCC3)CC2)n1	ZINC000329175368	511998336	/nfs/dbraw/zinc/99/83/36/511998336.db2.gz	MJIAGDFWAHGDQD-OAHLLOKOSA-N	0	0	363.506	2.990	10	30		FFEERN
Cc1cnn(C[C@H]2CN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CCO2)c1	ZINC000329190060	512001250	/nfs/dbraw/zinc/00/12/50/512001250.db2.gz	RTNHEMQAFSEIGG-VJJCQHNBSA-N	0	0	372.513	2.818	10	30		FFEERN
C[C@H](NC(=O)CN1CCC[C@@H]1C(=O)N1CCSCC1)c1ccccc1	ZINC000329194679	512002870	/nfs/dbraw/zinc/00/28/70/512002870.db2.gz	TUHCDTMAMWVBTI-DOTOQJQBSA-N	0	0	361.511	2.744	10	30		FFEERN
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1ccc(F)c(F)c1	ZINC000329207292	512005550	/nfs/dbraw/zinc/00/55/50/512005550.db2.gz	FCYRFBZOCSMLLY-XYZKALLWSA-N	0	0	354.397	2.802	10	30		FFEERN
O=C(Nc1cccc(C(=O)N2CCCCC2)c1)N1CCc2cncnc2C1	ZINC000329247125	512012480	/nfs/dbraw/zinc/01/24/80/512012480.db2.gz	BAGXWCLBTPGVLD-UHFFFAOYSA-N	0	0	365.437	2.707	10	30		FFEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	ZINC000329276352	512018512	/nfs/dbraw/zinc/01/85/12/512018512.db2.gz	LCVMTKFDVABVRD-TYNCELHUSA-N	0	0	362.478	2.713	10	30		FFEERN
CCc1nc2n(n1)C[C@H](NC(=O)C[C@H]1Oc3ccccc3NC1=O)CC2	ZINC000329294258	512021720	/nfs/dbraw/zinc/02/17/20/512021720.db2.gz	JNXPEQXVIXAKKY-BXUZGUMPSA-N	0	0	355.398	2.551	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCCC[C@@H]1c1ccnn1C)CCC2	ZINC000329311083	512025660	/nfs/dbraw/zinc/02/56/60/512025660.db2.gz	CMJCZPGTDJVTMA-DOTOQJQBSA-N	0	0	356.474	2.944	10	30		FFEERN
CC[C@@]1(C)CCCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1	ZINC000329350342	512031518	/nfs/dbraw/zinc/03/15/18/512031518.db2.gz	SYXVPMYPEYMCMH-ZTNFWEORSA-N	0	0	373.501	2.651	10	30		FFEERN
CC1CCC(N(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C2CC2)CC1	ZINC000329351634	512031756	/nfs/dbraw/zinc/03/17/56/512031756.db2.gz	UFRKYBVHAZQKDX-GFTQOHIISA-N	0	0	373.501	2.649	10	30		FFEERN
C[C@@H](COc1ccc(F)cc1F)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329492201	512056511	/nfs/dbraw/zinc/05/65/11/512056511.db2.gz	TUVPEFQNWBFNIX-ZKYQVNSYSA-N	0	0	353.369	2.697	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCCC[C@@H]1c1ncc[nH]1)CCC2	ZINC000329587446	512074382	/nfs/dbraw/zinc/07/43/82/512074382.db2.gz	SACAKLFWXGYJCD-HZPDHXFCSA-N	0	0	372.473	2.771	10	30		FFEERN
Cc1csc([C@@H]2COCCN2C(=O)NCC2C[C@H](C)O[C@@H](C)C2)n1	ZINC000329797617	512098922	/nfs/dbraw/zinc/09/89/22/512098922.db2.gz	FTQNDUWGEILZGO-YDHLFZDLSA-N	0	0	353.488	2.942	10	30		FFEERN
CC(=O)N1C[C@H](CCC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c2ccccc21	ZINC000329823981	512101830	/nfs/dbraw/zinc/10/18/30/512101830.db2.gz	QNUKMPPOWYSBKF-HWLIBYHHSA-N	0	0	369.465	2.883	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1cc(F)cc3c1OCOC3)CC2	ZINC000329859254	512104736	/nfs/dbraw/zinc/10/47/36/512104736.db2.gz	WODODZIBGIKTAG-HNNXBMFYSA-N	0	0	374.416	2.921	10	30		FFEERN
CO[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[C@H]1C	ZINC000408258650	513033207	/nfs/dbraw/zinc/03/32/07/513033207.db2.gz	ZIKOBUQBWVNXQT-SIXWZSSISA-N	0	0	374.460	2.733	10	30		FFEERN
Cc1cccc(C)c1NC(=O)C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N	ZINC000408269070	513036292	/nfs/dbraw/zinc/03/62/92/513036292.db2.gz	QBUMBTAYALKUBK-OXJNMPFZSA-N	0	0	355.438	2.696	10	30		FFEERN
COC(=O)c1ccc(I)c(C#N)c1OC(F)F	ZINC000575386391	518208560	/nfs/dbraw/zinc/20/85/60/518208560.db2.gz	TTXDDEVDHPZKIV-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)c1c(I)ccc(OC(F)F)c1C#N	ZINC000575385934	518208574	/nfs/dbraw/zinc/20/85/74/518208574.db2.gz	HBXWBFWIDYKNSY-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)Cc1ccc(C#N)c(C(F)F)c1I	ZINC000575389287	518208701	/nfs/dbraw/zinc/20/87/01/518208701.db2.gz	JURSHPHAOXHGCE-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)Cc1c(C#N)ccc(C(F)F)c1I	ZINC000575389477	518208772	/nfs/dbraw/zinc/20/87/72/518208772.db2.gz	PQPLKQFGUPDYPK-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
N=C(N/N=C/c1ccc(O)cc1)c1cncc(N2CCc3ccccc3C2)n1	ZINC000584655650	518418564	/nfs/dbraw/zinc/41/85/64/518418564.db2.gz	PLDBPHTZRWXBFV-BHGWPJFGSA-N	0	0	372.432	2.694	10	30		FFEERN
COc1cc(NC(=O)[C@H](C)O/N=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1	ZINC000024033905	522710933	/nfs/dbraw/zinc/71/09/33/522710933.db2.gz	XQYVDGLDIVMCOY-MKFNJMOCSA-N	0	0	373.365	2.990	10	30		FFEERN
CC(C)C[C@H](NC(=O)[C@H](NCCC#N)C(C)C)C(=O)Nc1ccccc1	ZINC000224545279	571211740	/nfs/dbraw/zinc/21/17/40/571211740.db2.gz	BSPUMGRSOHBPMB-ZWKOTPCHSA-N	0	0	358.486	2.684	10	30		FFEERN
C#CCN(C(=O)CSc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1	ZINC000104306705	728501459	/nfs/dbraw/zinc/50/14/59/728501459.db2.gz	FXDFIDKCTPSGKX-KRWDZBQOSA-N	0	0	373.499	2.581	10	30		FFEERN
CCCC(=O)NCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000105757915	728508403	/nfs/dbraw/zinc/50/84/03/728508403.db2.gz	HSQZSORQGWIKPA-JTQLQIEISA-N	0	0	356.209	2.557	10	30		FFEERN
N#CCOc1cc(F)ccc1NC(=O)N1CCO[C@H](c2nccs2)C1	ZINC000135325717	728737583	/nfs/dbraw/zinc/73/75/83/728737583.db2.gz	OSQAKUJHVJRENX-AWEZNQCLSA-N	0	0	362.386	2.790	10	30		FFEERN
COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000171034678	728995769	/nfs/dbraw/zinc/99/57/69/728995769.db2.gz	JTDHOQQPYHDUEB-FRRDWIJNSA-N	0	0	369.248	2.958	10	30		FFEERN
Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1	ZINC000329599031	729798114	/nfs/dbraw/zinc/79/81/14/729798114.db2.gz	DHNPKGKXDZPSTQ-IKGGRYGDSA-N	0	0	351.468	2.996	10	30		FFEERN
Cn1c(=O)sc2cc(/C=C3\CS(=O)(=O)c4ccccc4C3=O)ccc21	ZINC000588599106	845984623	/nfs/dbraw/zinc/98/46/23/845984623.db2.gz	IYCKYHNELSCZQD-XYOKQWHBSA-N	0	0	371.439	2.654	10	30		FFEERN
C#Cc1cccc(NC(=O)CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000588438019	964931927	/nfs/dbraw/zinc/93/19/27/964931927.db2.gz	DROCCOJHUUSOJA-SDNWHVSQSA-N	0	0	363.373	2.734	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2Cc3ccccc32)CC(=O)N1C1CC1	ZINC000329095913	966814856	/nfs/dbraw/zinc/81/48/56/966814856.db2.gz	YAHURKPWMJOYCV-FRQCXROJSA-N	0	0	350.422	2.521	10	30		FFEERN
O=C(CN1CCO[C@H]2CCCC[C@H]21)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000329145904	967523731	/nfs/dbraw/zinc/52/37/31/967523731.db2.gz	NZLQDJDXJYNFQY-KGLIPLIRSA-N	0	0	361.398	2.561	10	30		FFEERN
Cc1nnc2n1C[C@H](CNC(=O)[C@H]1CC(=O)N(C3CCC(C)CC3)C1)CC2	ZINC000329315512	967642861	/nfs/dbraw/zinc/64/28/61/967642861.db2.gz	DTVQVMUFMBHKAG-DBGUYSSFSA-N	0	0	373.501	2.533	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC([O-])=[NH+][C@H]3CCc4ccccc4C3)C2)nn1	ZINC000329676285	967935076	/nfs/dbraw/zinc/93/50/76/967935076.db2.gz	PLRPUANNJMSJTD-OALUTQOASA-N	0	0	365.481	2.815	10	30		FFEERN
Cc1cc(F)ccc1N1CCC[C@H](NC(=O)N2CCc3cncnc3C2)C1	ZINC000329684176	967940581	/nfs/dbraw/zinc/94/05/81/967940581.db2.gz	ZKXUIOUJJZUOML-KRWDZBQOSA-N	0	0	369.444	2.865	10	30		FFEERN
N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1	ZINC000329699505	967953763	/nfs/dbraw/zinc/95/37/63/967953763.db2.gz	DDNYVOPTCHTXGJ-FZMZJTMJSA-N	0	0	355.377	2.506	10	30		FFEERN
Cc1csc(C2(NC(=O)Nc3ccc(N4CCOCC4)nc3)CCC2)n1	ZINC000329752993	968006692	/nfs/dbraw/zinc/00/66/92/968006692.db2.gz	JVALWZXVFILSAF-UHFFFAOYSA-N	0	0	373.482	2.898	10	30		FFEERN
N#C[C@H]1CCC[C@@H]1NC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1	ZINC000332912844	977682260	/nfs/dbraw/zinc/68/22/60/977682260.db2.gz	QZZSPFOCAIMCTN-SJORKVTESA-N	0	0	353.422	2.949	10	30		FFEERN
C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)c1	ZINC000108605299	1005691599	/nfs/dbraw/zinc/69/15/99/1005691599.db2.gz	PHHOQPFZBKAKBS-ZDUSSCGKSA-N	0	0	370.380	2.662	10	30		FFEERN
C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccc(-n2cncn2)cc1	ZINC000110181047	1005910877	/nfs/dbraw/zinc/91/08/77/1005910877.db2.gz	ADFUZBQJPAKHOS-OAHLLOKOSA-N	0	0	361.405	2.590	10	30		FFEERN
CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/[C@@H]2CC=CCC2)c1	ZINC000013682999	220086363	/nfs/dbraw/zinc/08/63/63/220086363.db2.gz	WCYAIURDYHCKOE-LVLBFHFTSA-N	0	0	366.512	2.565	10	30		FFEERN
CCc1nccn1[C@H]1CCCN(CC(=O)Nc2oc(C)c(C)c2C#N)C1	ZINC000106214532	250255436	/nfs/dbraw/zinc/25/54/36/250255436.db2.gz	GXPYVRSATKGIRD-HNNXBMFYSA-N	0	0	355.442	2.803	10	30		FFEERN
CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)C12CCCC2	ZINC000119104907	250434528	/nfs/dbraw/zinc/43/45/28/250434528.db2.gz	NAESTBUKYUKITM-DLBZAZTESA-N	0	0	355.438	2.693	10	30		FFEERN
C=CCNc1ccccc1C(=O)N(CCC(N)=O)CCc1ccccc1	ZINC000055393232	221068088	/nfs/dbraw/zinc/06/80/88/221068088.db2.gz	DBSQEXOOMKEZBB-UHFFFAOYSA-N	0	0	351.450	2.845	10	30		FFEERN
C=C1C(=O)O[C@@H]2CC(=C)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3	ZINC000072320521	221465386	/nfs/dbraw/zinc/46/53/86/221465386.db2.gz	BITFKDUCQOBZDL-KZSDYASMSA-N	0	0	358.390	2.554	10	30		FFEERN
Cn1cc(N2CC[C@H](Nc3cc(C#N)c4cc(Cl)ccc4n3)C2=O)cn1	ZINC000301275640	258038994	/nfs/dbraw/zinc/03/89/94/258038994.db2.gz	LWAMUPWYBJOZPK-INIZCTEOSA-N	0	0	366.812	2.711	10	30		FFEERN
COc1cccc(-c2noc(N3CCc4c(C#N)c(N)sc4C3)n2)c1	ZINC000301552205	258055290	/nfs/dbraw/zinc/05/52/90/258055290.db2.gz	VRCPLBFURSOZJE-UHFFFAOYSA-N	0	0	353.407	2.823	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@@H]3c3cc[nH]n3)C2)n1	ZINC000329081847	258128783	/nfs/dbraw/zinc/12/87/83/258128783.db2.gz	DHRQNTLFQMKAMM-SJLPKXTDSA-N	0	0	364.453	2.565	10	30		FFEERN
N#Cc1ccc(N2CC[C@H](C(=O)N3CCO[C@@H]4CCCC[C@@H]43)C2)c(F)c1	ZINC000329324122	258135327	/nfs/dbraw/zinc/13/53/27/258135327.db2.gz	SGJOJGFLXFKCBK-ZYSHUDEJSA-N	0	0	357.429	2.694	10	30		FFEERN
COC(=O)c1ccc(C#N)c(OC(F)(F)F)c1I	ZINC000575392529	518209554	/nfs/dbraw/zinc/20/95/54/518209554.db2.gz	OEHCCJVAOFCXNU-UHFFFAOYSA-N	0	0	371.052	2.848	10	30		FFEERN
COC(=O)Cc1c(I)cc(C(F)(F)F)cc1C#N	ZINC000575392672	518209583	/nfs/dbraw/zinc/20/95/83/518209583.db2.gz	LWDVIULYKNGPSI-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
N#CCc1ccc([N+](=O)[O-])c(OC(F)F)c1I	ZINC000575667007	518244917	/nfs/dbraw/zinc/24/49/17/518244917.db2.gz	LNWHYMSHNWXWKQ-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
COc1ccc2oc(=NNC(=S)Nc3ccccc3)c(C(N)=O)cc2c1	ZINC000004574790	506383743	/nfs/dbraw/zinc/38/37/43/506383743.db2.gz	WWWRTUORCYCVAJ-HEHNFIMWSA-N	0	0	368.418	2.754	10	30		FFEERN
N#Cc1c2c(sc1NC(=O)Cc1sc(N)nc1O)CCCCCC2	ZINC000005830208	506457513	/nfs/dbraw/zinc/45/75/13/506457513.db2.gz	UHGFFXIIDPVSJY-LBPRGKRZSA-N	0	0	362.480	2.564	10	30		FFEERN
Cc1nccc(CN2CCC[C@H](Nc3c(F)cc(C#N)cc3F)C2=O)n1	ZINC000373393709	512308994	/nfs/dbraw/zinc/30/89/94/512308994.db2.gz	PXRYKXVGIHBSJV-INIZCTEOSA-N	0	0	357.364	2.538	10	30		FFEERN
COc1ccccc1C(=O)N[C@@H](C(=O)NCc1ccc(C#N)cc1)C(C)C	ZINC000045407879	506961191	/nfs/dbraw/zinc/96/11/91/506961191.db2.gz	KPMNBINJPGINHT-LJQANCHMSA-N	0	0	365.433	2.638	10	30		FFEERN
C[C@H](C#N)CN(C)C(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000068225952	507155753	/nfs/dbraw/zinc/15/57/53/507155753.db2.gz	DPURLQARARWETR-OKGBLQAJSA-N	0	0	357.498	2.812	10	30		FFEERN
Cc1ccc(N2CCC(NC(=O)Cc3cccc(OCC#N)c3)CC2)nc1	ZINC000089771891	507865069	/nfs/dbraw/zinc/86/50/69/507865069.db2.gz	RSFIFHQLNSJTGC-UHFFFAOYSA-N	0	0	364.449	2.620	10	30		FFEERN
Cc1nc(C(=O)N[C@H](C#N)C2CC2)nn1-c1c(Cl)cccc1Cl	ZINC000108830400	507920687	/nfs/dbraw/zinc/92/06/87/507920687.db2.gz	XCLZKHOFXRBGQU-GFCCVEGCSA-N	0	0	350.209	2.915	10	30		FFEERN
Cc1c(C(=O)N[C@H](C#N)C2CC2)sc2nc3n(c(=O)c12)CCCCC3	ZINC000108842859	507921722	/nfs/dbraw/zinc/92/17/22/507921722.db2.gz	XUOWLABJPHPTBR-GFCCVEGCSA-N	0	0	356.451	2.525	10	30		FFEERN
CCCn1cc(CN2CCCN(C(=O)c3sccc3C#N)CC2)cn1	ZINC000109664988	507978092	/nfs/dbraw/zinc/97/80/92/507978092.db2.gz	XBBAZGGQHLOYGD-UHFFFAOYSA-N	0	0	357.483	2.574	10	30		FFEERN
N#Cc1ccccc1OCC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000091757656	508009457	/nfs/dbraw/zinc/00/94/57/508009457.db2.gz	VFLXBLBNHPMKEK-YOEHRIQHSA-N	0	0	358.344	2.550	10	30		FFEERN
COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(C#N)c(C)n3)C2)c1	ZINC000081643197	508200645	/nfs/dbraw/zinc/20/06/45/508200645.db2.gz	CIUQMEJGQNNDGQ-HNNXBMFYSA-N	0	0	351.406	2.909	10	30		FFEERN
Cc1cccc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1	ZINC000102639789	508280013	/nfs/dbraw/zinc/28/00/13/508280013.db2.gz	PKMVANHTQQKSEM-SFHVURJKSA-N	0	0	365.458	2.949	10	30		FFEERN
C=CCOc1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1	ZINC000115211622	508375561	/nfs/dbraw/zinc/37/55/61/508375561.db2.gz	IDRWKKGXLFQCIN-PKOBYXMFSA-N	0	0	368.437	2.533	10	30		FFEERN
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1COc2ccccc21	ZINC000156905790	508494661	/nfs/dbraw/zinc/49/46/61/508494661.db2.gz	QQBQMBIJCYDYPD-CYBMUJFWSA-N	0	0	368.336	2.989	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2)n1	ZINC000116777378	508559916	/nfs/dbraw/zinc/55/99/16/508559916.db2.gz	TZQFGQGUCKSDQZ-LJQANCHMSA-N	0	0	351.454	2.638	10	30		FFEERN
C#CCCOc1ccc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)cc1	ZINC000122605805	508561396	/nfs/dbraw/zinc/56/13/96/508561396.db2.gz	ROIXGYVMXXVBOR-NRFANRHFSA-N	0	0	353.466	2.803	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)NC2CCN(c3cccs3)CC2)cc1	ZINC000122917675	508607527	/nfs/dbraw/zinc/60/75/27/508607527.db2.gz	DOPOAVUNJKFITR-UHFFFAOYSA-N	0	0	368.462	2.538	10	30		FFEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000123863316	508749330	/nfs/dbraw/zinc/74/93/30/508749330.db2.gz	ZVOZEJTVDMQJSP-QZTJIDSGSA-N	0	0	374.437	2.974	10	30		FFEERN
Cn1nccc1C1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000159332376	508826563	/nfs/dbraw/zinc/82/65/63/508826563.db2.gz	DOOUDUOABLJAAC-UHFFFAOYSA-N	0	0	364.858	2.513	10	30		FFEERN
C[C@H](C#N)NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1	ZINC000125720794	509021870	/nfs/dbraw/zinc/02/18/70/509021870.db2.gz	XSZFQHSRYKAYGB-CXAGYDPISA-N	0	0	352.394	2.607	10	30		FFEERN
C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161284851	509096824	/nfs/dbraw/zinc/09/68/24/509096824.db2.gz	HJAIMTWCPQYYNW-LLVKDONJSA-N	0	0	351.863	2.706	10	30		FFEERN
CN(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1	ZINC000156245337	509149428	/nfs/dbraw/zinc/14/94/28/509149428.db2.gz	ZQLGVNLHAYVMAO-INIZCTEOSA-N	0	0	363.870	2.793	10	30		FFEERN
CC1(C)OC(=O)C([C@@H]2C(=O)C=C[C@@H]2Nc2ccc(F)cc2F)C(=O)O1	ZINC000198711477	509229820	/nfs/dbraw/zinc/22/98/20/509229820.db2.gz	LFSYXPOCJHOWRG-AAEUAGOBSA-N	0	0	351.305	2.580	10	30		FFEERN
CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)cc2)c2ccc(F)cc2C1	ZINC000185562177	509237493	/nfs/dbraw/zinc/23/74/93/509237493.db2.gz	MVRAWPGEXRGEBF-LJQANCHMSA-N	0	0	351.381	2.921	10	30		FFEERN
C=CCOc1cccc(NC(=O)C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1	ZINC000162891909	509315798	/nfs/dbraw/zinc/31/57/98/509315798.db2.gz	VTWCZVKJXPORHH-GOSISDBHSA-N	0	0	370.405	2.691	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC000192158462	509379668	/nfs/dbraw/zinc/37/96/68/509379668.db2.gz	RVMRSEQLTQOPBN-GOSISDBHSA-N	0	0	371.481	2.826	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000189082898	509403844	/nfs/dbraw/zinc/40/38/44/509403844.db2.gz	XWDGMQUQUYVGSR-KRWDZBQOSA-N	0	0	365.437	2.519	10	30		FFEERN
C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000186011669	509479110	/nfs/dbraw/zinc/47/91/10/509479110.db2.gz	KRKZPRHWEXVIBQ-ZDUSSCGKSA-N	0	0	367.434	2.716	10	30		FFEERN
Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3cc(C#N)ccc3C)C2)n1	ZINC000173384200	509565080	/nfs/dbraw/zinc/56/50/80/509565080.db2.gz	JDTNXUJIPRALDO-HNNXBMFYSA-N	0	0	368.462	2.976	10	30		FFEERN
Cc1ccc([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CCO2)o1	ZINC000167782178	509640996	/nfs/dbraw/zinc/64/09/96/509640996.db2.gz	KBWVNDXOSLPMFP-OAHLLOKOSA-N	0	0	366.826	2.875	10	30		FFEERN
COc1cc(C=CC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)ccc1OCC#N	ZINC000170674444	509712792	/nfs/dbraw/zinc/71/27/92/509712792.db2.gz	CTEGQISDWROCRV-BIENSFFJSA-N	0	0	366.421	2.740	10	30		FFEERN
Cc1nc([C@@H]2CCCN2CCS(=O)(=O)c2ccc(C#N)cc2)cs1	ZINC000189759454	509736726	/nfs/dbraw/zinc/73/67/26/509736726.db2.gz	JIMXOKHJZYPALI-KRWDZBQOSA-N	0	0	361.492	2.934	10	30		FFEERN
CCc1ccc(N2C[C@@H](C(=O)Nc3nn(C(C)C)cc3C#N)CC2=O)cc1	ZINC000177000349	509811098	/nfs/dbraw/zinc/81/10/98/509811098.db2.gz	OKXVANQDKGSHRV-HNNXBMFYSA-N	0	0	365.437	2.890	10	30		FFEERN
COC(=O)C1CCC(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)CC1	ZINC000180208471	509813497	/nfs/dbraw/zinc/81/34/97/509813497.db2.gz	WNWAJVPIUMYTGX-UHFFFAOYSA-N	0	0	352.394	2.662	10	30		FFEERN
COc1cc(OC)cc([C@H]2CCN(S(=O)(=O)CCCCC#N)C2)c1	ZINC000177027214	509825701	/nfs/dbraw/zinc/82/57/01/509825701.db2.gz	MLAJJIVCRDZCJG-AWEZNQCLSA-N	0	0	352.456	2.517	10	30		FFEERN
COc1ccc(OC)c(C=NNS(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000254701227	509909354	/nfs/dbraw/zinc/90/93/54/509909354.db2.gz	NVAZUDZFEXCHJO-UHFFFAOYSA-N	0	0	354.815	2.670	10	30		FFEERN
COc1cccc(C=NNS(=O)(=O)c2ccc(CC(C)C)cc2)c1O	ZINC000254875655	509912339	/nfs/dbraw/zinc/91/23/39/509912339.db2.gz	BYKOJAXLCLIQAC-UHFFFAOYSA-N	0	0	362.451	2.912	10	30		FFEERN
COc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1	ZINC000254881185	509912430	/nfs/dbraw/zinc/91/24/30/509912430.db2.gz	GOYOTVYTGVQKIM-UHFFFAOYSA-N	0	0	354.815	2.670	10	30		FFEERN
C[C@@H](O)CN1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1C	ZINC000174328505	510062035	/nfs/dbraw/zinc/06/20/35/510062035.db2.gz	OQWXDHGKNXQVDG-DLBZAZTESA-N	0	0	363.461	2.752	10	30		FFEERN
C=CCCOCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000245717671	510105238	/nfs/dbraw/zinc/10/52/38/510105238.db2.gz	VJKSHZAPFXLHQE-DLBZAZTESA-N	0	0	353.413	2.602	10	30		FFEERN
CCc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3)C2)n1	ZINC000177515072	510109879	/nfs/dbraw/zinc/10/98/79/510109879.db2.gz	SHDJCZQRNFWNDN-CQSZACIVSA-N	0	0	368.462	2.922	10	30		FFEERN
Cc1cc(C(C)C)nc(N2CCN(C(=O)c3cccc(CC#N)c3)CC2)n1	ZINC000184148537	510160999	/nfs/dbraw/zinc/16/09/99/510160999.db2.gz	IZPMONXWHUQELX-UHFFFAOYSA-N	0	0	363.465	2.937	10	30		FFEERN
Cc1oc(NC(=O)[C@@H](C)N2CC[C@H](CNc3ccccn3)C2)c(C#N)c1C	ZINC000171643432	510272147	/nfs/dbraw/zinc/27/21/47/510272147.db2.gz	HPVWWDGOOZNDOS-GDBMZVCRSA-N	0	0	367.453	2.924	10	30		FFEERN
N#Cc1ccc([C@H](O)CN2CCCC[C@H]2c2nnc3n2CCCC3)cc1	ZINC000246115434	510303123	/nfs/dbraw/zinc/30/31/23/510303123.db2.gz	XZEOWUDNWYMUEP-ZWKOTPCHSA-N	0	0	351.454	2.747	10	30		FFEERN
C[C@@H]1CN([C@@H](CNC(=O)NCCCCC#N)c2cccs2)CCO1	ZINC000178658649	510707656	/nfs/dbraw/zinc/70/76/56/510707656.db2.gz	KAUBRIHPBNGDKG-CABCVRRESA-N	0	0	350.488	2.503	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)N1CCC(Nc2cccnn2)CC1	ZINC000172566488	510796588	/nfs/dbraw/zinc/79/65/88/510796588.db2.gz	WVZWUPRZZCPNOP-UHFFFAOYSA-N	0	0	366.425	2.855	10	30		FFEERN
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C(=O)NC)C(C)C	ZINC000178848621	510803185	/nfs/dbraw/zinc/80/31/85/510803185.db2.gz	UMCJVHFVIGZPQU-CQSZACIVSA-N	0	0	358.360	2.771	10	30		FFEERN
C[C@@H]1CC[C@@H](NC(=O)N2CCc3c(ncn(C)c3=O)C2)c2ccccc21	ZINC000330068629	510910328	/nfs/dbraw/zinc/91/03/28/510910328.db2.gz	VNUILCXMEBZRGS-CXAGYDPISA-N	0	0	352.438	2.691	10	30		FFEERN
CC(C)n1ncc2c1C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)CC2	ZINC000330174948	510930133	/nfs/dbraw/zinc/93/01/33/510930133.db2.gz	ZJEJEBOJMGPIQM-HDMKZQKVSA-N	0	0	357.458	2.789	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)C[C@]2(CCCOC2)O1	ZINC000330247508	510946908	/nfs/dbraw/zinc/94/69/08/510946908.db2.gz	FQBTVFIAVYJHNC-UIXUWTQFSA-N	0	0	360.454	2.701	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)cn1	ZINC000330321760	510963366	/nfs/dbraw/zinc/96/33/66/510963366.db2.gz	GGUHDBYDNUBWBF-ULFGMLNVSA-N	0	0	359.474	2.919	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)cn1	ZINC000330350626	510970949	/nfs/dbraw/zinc/97/09/49/510970949.db2.gz	LHWYHLAPXBWQBB-TXCZRRACSA-N	0	0	362.474	2.727	10	30		FFEERN
CN1C(=O)CO[C@H](C(=O)N[C@@H]2COc3ccccc32)[C@@H]1c1ccccc1	ZINC000330359951	510972657	/nfs/dbraw/zinc/97/26/57/510972657.db2.gz	WNVUKJPCZQJHSS-MNEFBYGVSA-N	0	0	352.390	2.675	10	30		FFEERN
CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)Nc2ccsc2)CC1	ZINC000328655603	511909979	/nfs/dbraw/zinc/90/99/79/511909979.db2.gz	YNOGSEDNBFYLDD-HNNXBMFYSA-N	0	0	371.528	2.962	10	30		FFEERN
C[C@H](C(=O)N1CCCCCC1)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000328689282	511914906	/nfs/dbraw/zinc/91/49/06/511914906.db2.gz	QHRSAOFMZQIKEF-XFQAVAEZSA-N	0	0	366.465	2.772	10	30		FFEERN
CNC(=O)NC1CN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1	ZINC000328710639	511918271	/nfs/dbraw/zinc/91/82/71/511918271.db2.gz	RCSLYIQQBUFVHR-OAHLLOKOSA-N	0	0	358.442	2.555	10	30		FFEERN
O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)N[C@@H]1CCO[C@@H]1C1CC1	ZINC000328818240	511936411	/nfs/dbraw/zinc/93/64/11/511936411.db2.gz	HPCHXSAVHQJVQA-ATZDWAIDSA-N	0	0	358.438	2.980	10	30		FFEERN
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1	ZINC000328889714	511946513	/nfs/dbraw/zinc/94/65/13/511946513.db2.gz	RBBSJNVEJFCZQU-ULQDDVLXSA-N	0	0	361.486	2.920	10	30		FFEERN
Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC3)CCO2)n1	ZINC000328895124	511947869	/nfs/dbraw/zinc/94/78/69/511947869.db2.gz	VBWVYTAQYVWUFN-IPYPFGDCSA-N	0	0	364.471	2.636	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N[C@H]2CCCCC2(C)C)CC(=O)N1C1CC1	ZINC000329098800	511983241	/nfs/dbraw/zinc/98/32/41/511983241.db2.gz	YWTDYSBANUUELL-UWWQBHOKSA-N	0	0	373.501	2.697	10	30		FFEERN
Cc1noc([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4nc(C(C)(C)C)cn4C3)C2)n1	ZINC000329146920	511993913	/nfs/dbraw/zinc/99/39/13/511993913.db2.gz	XLANXSBCDSSBPV-ZIAGYGMSSA-N	0	0	372.473	2.590	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CCS[C@H](C)CC2)on1	ZINC000329252068	512013942	/nfs/dbraw/zinc/01/39/42/512013942.db2.gz	VFDIDDKZBJQAPJ-ILXRZTDVSA-N	0	0	370.494	2.637	10	30		FFEERN
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)O2	ZINC000329271774	512017467	/nfs/dbraw/zinc/01/74/67/512017467.db2.gz	IFRHQISYHVRNAI-TVYUQYBPSA-N	0	0	360.380	2.900	10	30		FFEERN
C[C@@H](C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)N1CCSCC1	ZINC000329301484	512022809	/nfs/dbraw/zinc/02/28/09/512022809.db2.gz	VVQFDZQTZBQFTA-YUTCNCBUSA-N	0	0	366.487	2.561	10	30		FFEERN
O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329378256	512036562	/nfs/dbraw/zinc/03/65/62/512036562.db2.gz	OYCZTMCJICEWDG-FGTMMUONSA-N	0	0	356.470	2.788	10	30		FFEERN
C[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1cccc(N2CCCC2=O)c1	ZINC000329385967	512038625	/nfs/dbraw/zinc/03/86/25/512038625.db2.gz	SFZZVBYTPXRWDT-KBRIMQKVSA-N	0	0	370.453	2.839	10	30		FFEERN
Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)no1	ZINC000329402024	512040436	/nfs/dbraw/zinc/04/04/36/512040436.db2.gz	WHRNZGIUYJSBHG-KGLIPLIRSA-N	0	0	372.473	2.938	10	30		FFEERN
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329467833	512052996	/nfs/dbraw/zinc/05/29/96/512052996.db2.gz	WWNRIRLADHUSEA-NWANDNLSSA-N	0	0	359.426	2.701	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@H]3c3cn[nH]c3)C2)nn1	ZINC000329546553	512067349	/nfs/dbraw/zinc/06/73/49/512067349.db2.gz	OJFNGAPOPKSOGT-IRXDYDNUSA-N	0	0	369.473	2.618	10	30		FFEERN
C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000329764144	512094547	/nfs/dbraw/zinc/09/45/47/512094547.db2.gz	VKJJKHBCFUGDGG-BPUTZDHNSA-N	0	0	355.442	2.743	10	30		FFEERN
CC(=O)N1C[C@H](CCC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c2ccccc21	ZINC000329823982	512101849	/nfs/dbraw/zinc/10/18/49/512101849.db2.gz	QNUKMPPOWYSBKF-PSFFPDNBSA-N	0	0	369.465	2.883	10	30		FFEERN
C[C@@]1(O)CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000375680183	512451905	/nfs/dbraw/zinc/45/19/05/512451905.db2.gz	RIIMEBOUZGEDRA-OXJNMPFZSA-N	0	0	374.460	2.613	10	30		FFEERN
COc1ccc(C2(C(=O)N3CCN(C)[C@@H](C#N)C3)CC3(CCC3)C2)cc1	ZINC000376007260	512612640	/nfs/dbraw/zinc/61/26/40/512612640.db2.gz	HPTVNEMVIPWFLQ-KRWDZBQOSA-N	0	0	353.466	2.563	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H]3[C@@H]3CCCO3)C2)n1	ZINC000408024333	512985433	/nfs/dbraw/zinc/98/54/33/512985433.db2.gz	ZMMKIHIAJXVUMN-OTWHNJEPSA-N	0	0	368.481	2.648	10	30		FFEERN
CO[C@]1(C)CCCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1	ZINC000408324947	513044766	/nfs/dbraw/zinc/04/47/66/513044766.db2.gz	TVLHDYZKAVTXFP-GHTZIAJQSA-N	0	0	370.497	2.896	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F	ZINC000408337554	513046099	/nfs/dbraw/zinc/04/60/99/513046099.db2.gz	CEVDWKWQXWTKKE-WRWORJQWSA-N	0	0	365.199	2.698	10	30		FFEERN
CCOC(=O)c1c(I)ccc(OC(F)F)c1C#N	ZINC000575385898	518208165	/nfs/dbraw/zinc/20/81/65/518208165.db2.gz	DWLWSYRWEIEWHE-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
C[C@@H]1C(c2cccs2)=[N+]([O-])[C@@](C)(C(=O)c2ccc(Cl)cc2)N1O	ZINC000575330093	519592242	/nfs/dbraw/zinc/59/22/42/519592242.db2.gz	JGFIEPUHZULZGF-ROXZBOHUSA-N	0	0	351.835	2.690	10	30		FFEERN
C[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1	ZINC000328645952	524120495	/nfs/dbraw/zinc/12/04/95/524120495.db2.gz	ZVVVFJISXSNHSS-SOLBZPMBSA-N	0	0	373.501	2.943	10	30		FFEERN
O=C(COc1cccnc1)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000328622834	527586752	/nfs/dbraw/zinc/58/67/52/527586752.db2.gz	ISEMPPMASMDFBE-LLVKDONJSA-N	0	0	354.332	2.895	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N1CCO[C@H]2CCCC[C@H]21	ZINC000046490941	536879497	/nfs/dbraw/zinc/87/94/97/536879497.db2.gz	WZAKRTUBGTXHBP-SJORKVTESA-N	0	0	358.438	2.896	10	30		FFEERN
CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C(=O)N2CCCC2)c1	ZINC000328869251	729795553	/nfs/dbraw/zinc/79/55/53/729795553.db2.gz	HNXBGNBPWHJFEM-OAHLLOKOSA-N	0	0	361.467	2.822	10	30		FFEERN
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)N2CC[C@H]3CCC[C@H]32)cn1	ZINC000330232630	971429253	/nfs/dbraw/zinc/42/92/53/971429253.db2.gz	FOGBOEXAYBWONG-UKRRQHHQSA-N	0	0	374.466	2.696	10	30		FFEERN
CN1CCN(C(=O)NCc2cn3c(n2)CCCC3)[C@@H](c2ccccc2)C1	ZINC000328792629	963877478	/nfs/dbraw/zinc/87/74/78/963877478.db2.gz	RLGAJIZFYRLOCK-GOSISDBHSA-N	0	0	353.470	2.622	10	30		FFEERN
O=C(NCCc1c[nH]c2ncccc12)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	ZINC000328867662	964927803	/nfs/dbraw/zinc/92/78/03/964927803.db2.gz	XDHOCFMGFFAKDU-GVDBMIGSSA-N	0	0	354.454	2.957	10	30		FFEERN
C[C@@H](NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)C12CC3CC(CC(C3)C1)C2	ZINC000329000845	965437406	/nfs/dbraw/zinc/43/74/06/965437406.db2.gz	XKSZDMUSCVWARW-DLEVPPGRSA-N	0	0	360.502	2.808	10	30		FFEERN
C[C@H](O)CN1CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1	ZINC000329275184	967609172	/nfs/dbraw/zinc/60/91/72/967609172.db2.gz	JSSULZAZTZLAPM-WMZOPIPTSA-N	0	0	373.497	2.735	10	30		FFEERN
Cc1ccc(N2CCC[C@H](NC(=O)c3ccc4c(c3)OCC(=O)N4)C2)nn1	ZINC000329474115	967737745	/nfs/dbraw/zinc/73/77/45/967737745.db2.gz	BNSHRHLHSFGARJ-AWEZNQCLSA-N	0	0	367.409	2.739	10	30		FFEERN
C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c1	ZINC000106637644	976263501	/nfs/dbraw/zinc/26/35/01/976263501.db2.gz	GMSZTASGUMVDOO-VQTJNVASSA-N	0	0	362.429	2.559	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N2CCC(Oc3ccccc3)CC2)cc1	ZINC000125360430	981175936	/nfs/dbraw/zinc/17/59/36/981175936.db2.gz	GAVGWEMGSOLLEP-UHFFFAOYSA-N	0	0	363.417	2.761	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)OCc3ccccc3OC)cc2C1=O	ZINC000005569720	1012740842	/nfs/dbraw/zinc/74/08/42/1012740842.db2.gz	RAPRJXWAYAIIPJ-UHFFFAOYSA-N	0	0	351.358	2.834	10	30		FFEERN
C=CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)cc2)c1	ZINC000002499756	219447042	/nfs/dbraw/zinc/44/70/42/219447042.db2.gz	XMBHORQIFIVYHE-UHFFFAOYSA-N	0	0	352.362	2.681	10	30		FFEERN
O=c1[nH][nH]c2c1[C@@H](c1ncc[nH]1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018196398	220227961	/nfs/dbraw/zinc/22/79/61/220227961.db2.gz	WKRMTAQDNWDZHG-SDBXPKJASA-N	0	0	353.407	2.858	10	30		FFEERN
Cc1oc(NC(=O)[C@H](C)N2CCC(Cc3nccn3C)CC2)c(C#N)c1C	ZINC000106164312	250245641	/nfs/dbraw/zinc/24/56/41/250245641.db2.gz	XUUBENXYYDVXBS-AWEZNQCLSA-N	0	0	369.469	2.783	10	30		FFEERN
Cn1ccnc1CC1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000106166396	250246432	/nfs/dbraw/zinc/24/64/32/250246432.db2.gz	LCUUTILNLNOCSM-UHFFFAOYSA-N	0	0	371.872	2.838	10	30		FFEERN
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(Cc2nccn2C)CC1	ZINC000106164822	250246919	/nfs/dbraw/zinc/24/69/19/250246919.db2.gz	MAHJZFPPTOGFAB-OAHLLOKOSA-N	0	0	351.454	2.573	10	30		FFEERN
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(Cc2nccn2C)CC1	ZINC000106164821	250246970	/nfs/dbraw/zinc/24/69/70/250246970.db2.gz	MAHJZFPPTOGFAB-HNNXBMFYSA-N	0	0	351.454	2.573	10	30		FFEERN
Cc1c(Cl)cnc(NC2CCN(S(=O)(=O)C(C)C)CC2)c1C#N	ZINC000278028465	256268628	/nfs/dbraw/zinc/26/86/28/256268628.db2.gz	POEZBCUBAMVBIG-UHFFFAOYSA-N	0	0	356.879	2.530	10	30		FFEERN
CC(C)N1C(=O)N[C@@H]2CN(c3cccc(Br)c3C#N)CC[C@@H]21	ZINC000291193298	257390505	/nfs/dbraw/zinc/39/05/05/257390505.db2.gz	SZRVVGLTJQHODX-HIFRSBDPSA-N	0	0	363.259	2.702	10	30		FFEERN
Cc1ccsc1-c1cccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)c1	ZINC000301146970	258029504	/nfs/dbraw/zinc/02/95/04/258029504.db2.gz	KCUXZCGFHCALFV-UHFFFAOYSA-N	0	0	352.419	2.736	10	30		FFEERN
C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)N1CCOC[C@H]1C	ZINC000301383129	258046270	/nfs/dbraw/zinc/04/62/70/258046270.db2.gz	BAJCNZMVZPBPHO-CHWSQXEVSA-N	0	0	355.398	2.536	10	30		FFEERN
C[N@@H+]1CCO[C@@H]2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@H]21	ZINC000328991359	258126328	/nfs/dbraw/zinc/12/63/28/258126328.db2.gz	SKSDRRBJSDEHPT-IAGOWNOFSA-N	0	0	374.391	2.617	10	30		FFEERN
N#Cc1ccccc1N1CCN(C(=O)[C@H]2C[C@@]23CCOc2ccccc23)CC1	ZINC000329643430	258143759	/nfs/dbraw/zinc/14/37/59/258143759.db2.gz	DBUAENGCWZEDMB-AUSIDOKSSA-N	0	0	373.456	2.947	10	30		FFEERN
C=CCNc1ncnc(N2CCN(c3cccc(C)c3C)CC2)c1[N+](=O)[O-]	ZINC000054486532	132303428	/nfs/dbraw/zinc/30/34/28/132303428.db2.gz	ZNYMNORHBUTPCG-UHFFFAOYSA-N	0	0	368.441	2.926	10	30		FFEERN
Cc1nc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)sc1SCC#N	ZINC000044789026	132375401	/nfs/dbraw/zinc/37/54/01/132375401.db2.gz	QWKHWFVKFYAXGX-GFCCVEGCSA-N	0	0	374.495	2.712	10	30		FFEERN
N#CCc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	ZINC000020976204	132899539	/nfs/dbraw/zinc/89/95/39/132899539.db2.gz	CHSRRPDFICQNLP-UHFFFAOYSA-N	0	0	366.377	2.750	10	30		FFEERN
N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCCN(Cc2nccs2)C3)n1	ZINC000096073867	222011848	/nfs/dbraw/zinc/01/18/48/222011848.db2.gz	XYZNDHJLOVVPHE-MAUKXSAKSA-N	0	0	355.467	2.645	10	30		FFEERN
COC(=O)Cc1cc(C(F)(F)F)cc(I)c1C#N	ZINC000575392664	518209610	/nfs/dbraw/zinc/20/96/10/518209610.db2.gz	LKXDNRCRPZGJEE-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
N#CCCN(C(=O)CSc1nnnn1-c1ccccc1)c1ccccc1	ZINC000003618951	506347287	/nfs/dbraw/zinc/34/72/87/506347287.db2.gz	KMNAIJXTNYMBOD-UHFFFAOYSA-N	0	0	364.434	2.701	10	30		FFEERN
COc1cc(/C=N/NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc(OC)c1OC	ZINC000004365329	506373068	/nfs/dbraw/zinc/37/30/68/506373068.db2.gz	VJORXLFZMPRGJB-COSIJQBXSA-N	0	0	363.483	2.699	10	30		FFEERN
COc1ccc(OC)c([C@H]2CCCN2CC(=O)N[C@@](C)(C#N)C2CC2)c1	ZINC000011436433	506776306	/nfs/dbraw/zinc/77/63/06/506776306.db2.gz	ZUQCYOOWDLVDTF-XLIONFOSSA-N	0	0	357.454	2.649	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCS1	ZINC000069151579	507421793	/nfs/dbraw/zinc/42/17/93/507421793.db2.gz	VUBMQEWEHBRXOH-HIFRSBDPSA-N	0	0	362.474	2.813	10	30		FFEERN
N#CCOc1ccc(CNC(=O)NCC[C@H]2C(=O)Nc3ccccc32)cc1	ZINC000069730781	507546251	/nfs/dbraw/zinc/54/62/51/507546251.db2.gz	MWOJTSCLOFWRBI-QGZVFWFLSA-N	0	0	364.405	2.514	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](OCCC)CC3)cc2C1=O	ZINC000108226743	507881683	/nfs/dbraw/zinc/88/16/83/507881683.db2.gz	NCRNBYGJOYDXAV-MRXNPFEDSA-N	0	0	370.449	2.890	10	30		FFEERN
N#CCCn1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)n1	ZINC000078609532	507888549	/nfs/dbraw/zinc/88/85/49/507888549.db2.gz	OOWDNYBDZZKJLN-IAGOWNOFSA-N	0	0	353.426	2.917	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCC(N(C)c3cccnn3)CC2)cc1	ZINC000109641708	507974286	/nfs/dbraw/zinc/97/42/86/507974286.db2.gz	JPCWOCZYOMPRHU-UHFFFAOYSA-N	0	0	352.438	2.782	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCO[C@H](c3nccs3)C2)cc1OC	ZINC000110876774	508052632	/nfs/dbraw/zinc/05/26/32/508052632.db2.gz	LFSIROIKUCFXSD-INIZCTEOSA-N	0	0	360.435	2.930	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1	ZINC000110904763	508055795	/nfs/dbraw/zinc/05/57/95/508055795.db2.gz	HMZFHOQISILMBU-LJQANCHMSA-N	0	0	355.438	2.606	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)cc1	ZINC000110904760	508056011	/nfs/dbraw/zinc/05/60/11/508056011.db2.gz	HMZFHOQISILMBU-IBGZPJMESA-N	0	0	355.438	2.606	10	30		FFEERN
Cc1cnn([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)c1	ZINC000111361017	508094035	/nfs/dbraw/zinc/09/40/35/508094035.db2.gz	ALQWIGRBENWBBI-AWEZNQCLSA-N	0	0	364.858	2.742	10	30		FFEERN
N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCc4ncnn4C3)c2)cc1	ZINC000112656763	508206648	/nfs/dbraw/zinc/20/66/48/508206648.db2.gz	AHRCEECSKDTXGG-INIZCTEOSA-N	0	0	359.389	2.687	10	30		FFEERN
Cc1nc2n(n1)CCC[C@@H]2NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000083476109	508246036	/nfs/dbraw/zinc/24/60/36/508246036.db2.gz	BRWOMWALAXKYKP-SFHVURJKSA-N	0	0	361.453	2.988	10	30		FFEERN
CN(CC#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F	ZINC000101866707	508259246	/nfs/dbraw/zinc/25/92/46/508259246.db2.gz	SEMGUHCRHCDZQE-ZLIFDBKOSA-N	0	0	361.392	2.720	10	30		FFEERN
Cc1cccc2[nH]cc(CC(=O)N3CCN(c4ncccc4C#N)CC3)c21	ZINC000103428829	508311349	/nfs/dbraw/zinc/31/13/49/508311349.db2.gz	QZYIRSMVTJOAMK-UHFFFAOYSA-N	0	0	359.433	2.634	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](n2cncn2)C1	ZINC000106218380	508398247	/nfs/dbraw/zinc/39/82/47/508398247.db2.gz	IYQMAGDECANYCM-HOTGVXAUSA-N	0	0	359.499	2.580	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)N(CCC)C[C@@H]3CCCCO3)cc2C1=O	ZINC000106695461	508403657	/nfs/dbraw/zinc/40/36/57/508403657.db2.gz	AEJGQFSCVBVENM-INIZCTEOSA-N	0	0	370.449	2.890	10	30		FFEERN
Cc1ccc([C@H]2CN(C(=O)CCc3c(C)nn(CCC#N)c3C)CCO2)o1	ZINC000133596961	508422892	/nfs/dbraw/zinc/42/28/92/508422892.db2.gz	FZEFSQHBUSPGAA-LJQANCHMSA-N	0	0	370.453	2.848	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N1CCO[C@@H](c2nccs2)C1	ZINC000127622436	508477691	/nfs/dbraw/zinc/47/76/91/508477691.db2.gz	UIOUCVCAPJFALX-MRXNPFEDSA-N	0	0	360.435	2.930	10	30		FFEERN
Cn1cc([C@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C2)cn1	ZINC000116497818	508521677	/nfs/dbraw/zinc/52/16/77/508521677.db2.gz	MTDKQQYKVIWEIC-LBPRGKRZSA-N	0	0	361.352	2.915	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)N[C@H]1CCCn2nc(COC)nc21	ZINC000153181733	508556212	/nfs/dbraw/zinc/55/62/12/508556212.db2.gz	QINIAAQMCPWRCI-AWEZNQCLSA-N	0	0	361.471	2.719	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(c3ncccc3F)C2)cc1	ZINC000153602084	508604930	/nfs/dbraw/zinc/60/49/30/508604930.db2.gz	CCMCKNMNHBADCK-WHWKNOJMSA-N	0	0	366.396	2.531	10	30		FFEERN
C=CCOc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1OC	ZINC000135701959	508642184	/nfs/dbraw/zinc/64/21/84/508642184.db2.gz	BKRFZQPATDPDLI-QGZVFWFLSA-N	0	0	354.406	2.949	10	30		FFEERN
C[C@H](NS(=O)(=O)c1ccccc1C#N)c1cccc(-n2ccnc2)c1	ZINC000123383255	508678875	/nfs/dbraw/zinc/67/88/75/508678875.db2.gz	ZOOBLZRRYPNION-AWEZNQCLSA-N	0	0	352.419	2.783	10	30		FFEERN
Cc1ccc([C@H]2CN(CC(=O)N(CCC#N)c3ccccc3)CCO2)o1	ZINC000158752587	508748383	/nfs/dbraw/zinc/74/83/83/508748383.db2.gz	FZQYZGVFWITDCO-LJQANCHMSA-N	0	0	353.422	2.908	10	30		FFEERN
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)o2)cc1	ZINC000119392953	508787122	/nfs/dbraw/zinc/78/71/22/508787122.db2.gz	YUAFAYWCDGZCAB-ZDUSSCGKSA-N	0	0	370.409	2.711	10	30		FFEERN
COc1ccc([C@H]2C[C@@H](C)N(S(=O)(=O)c3ccc(C#N)nc3)C2)cc1	ZINC000159140075	508798382	/nfs/dbraw/zinc/79/83/82/508798382.db2.gz	MZTABBACUKJONL-HIFRSBDPSA-N	0	0	357.435	2.529	10	30		FFEERN
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](Oc2cccnc2)C1	ZINC000154625440	508821445	/nfs/dbraw/zinc/82/14/45/508821445.db2.gz	JFOKAKKOPQXDOF-DDUYZKFLSA-N	0	0	370.497	2.854	10	30		FFEERN
C=CCc1cc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)cc(OC)c1O	ZINC000121275369	509161579	/nfs/dbraw/zinc/16/15/79/509161579.db2.gz	AKUJXNPRALPTAL-AWEZNQCLSA-N	0	0	372.469	2.700	10	30		FFEERN
Cc1noc([C@H](C)N2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)n1	ZINC000121314267	509165671	/nfs/dbraw/zinc/16/56/71/509165671.db2.gz	CRJKYSACZJPHLO-INIZCTEOSA-N	0	0	368.485	2.607	10	30		FFEERN
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCCC[C@@H]1c1nccs1	ZINC000127099737	509166999	/nfs/dbraw/zinc/16/69/99/509166999.db2.gz	IQGMLZHXTHTKGC-CQSZACIVSA-N	0	0	358.398	2.846	10	30		FFEERN
C=CCOc1cccc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c1	ZINC000121441236	509174224	/nfs/dbraw/zinc/17/42/24/509174224.db2.gz	ARYLQXKVDFFLNR-UHFFFAOYSA-N	0	0	354.498	2.920	10	30		FFEERN
C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCOc2c(C)cccc21	ZINC000188678534	509207931	/nfs/dbraw/zinc/20/79/31/509207931.db2.gz	IHNAJARNTXIYEN-INIZCTEOSA-N	0	0	364.401	2.586	10	30		FFEERN
N#Cc1cccnc1-n1cc(NS(=O)(=O)/C=C/c2ccccc2)cn1	ZINC000185579797	509249132	/nfs/dbraw/zinc/24/91/32/509249132.db2.gz	OWIPYEYYHFPFHV-CSKARUKUSA-N	0	0	351.391	2.552	10	30		FFEERN
CC(C)(C)OC(=O)N1CCC[C@H]1CN(C(=O)c1c[nH]c(C#N)c1)C1CC1	ZINC000191933899	509252071	/nfs/dbraw/zinc/25/20/71/509252071.db2.gz	GGPRGOPZMIBPPE-INIZCTEOSA-N	0	0	358.442	2.890	10	30		FFEERN
COc1ccccc1O[C@@H]1O[C@@H]1COC[C@@H]1O[C@H]1Oc1ccccc1OC	ZINC000221251134	509305656	/nfs/dbraw/zinc/30/56/56/509305656.db2.gz	CKOJVJMMOLAYOR-IYWMVGAKSA-N	0	0	374.389	2.628	10	30		FFEERN
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(c2cccs2)C(=O)C1	ZINC000185788493	509356602	/nfs/dbraw/zinc/35/66/02/509356602.db2.gz	KRMJHTAIYAYDKD-ZDUSSCGKSA-N	0	0	370.434	2.920	10	30		FFEERN
CC1(C)C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1	ZINC000163450516	509377603	/nfs/dbraw/zinc/37/76/03/509377603.db2.gz	RWVJJKLRAULAIL-JKSUJKDBSA-N	0	0	374.460	2.923	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1C	ZINC000189097681	509410480	/nfs/dbraw/zinc/41/04/80/509410480.db2.gz	GPUYRYDXPMJGJN-QGZVFWFLSA-N	0	0	365.437	2.519	10	30		FFEERN
CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(OCC#N)cc1	ZINC000176392712	509483313	/nfs/dbraw/zinc/48/33/13/509483313.db2.gz	NBSWFEDUJYLJJD-INIZCTEOSA-N	0	0	368.441	2.638	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCCCCC#N)CC1	ZINC000192377617	509490173	/nfs/dbraw/zinc/49/01/73/509490173.db2.gz	UKTHOXUOOHBVFQ-INIZCTEOSA-N	0	0	366.506	2.518	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CC3(CCOCC3)c3ccccc32)cc1	ZINC000189368464	509542335	/nfs/dbraw/zinc/54/23/35/509542335.db2.gz	FTOIMIMCZOHTMA-UHFFFAOYSA-N	0	0	354.431	2.815	10	30		FFEERN
CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)Cc1ccc(C#N)cc1	ZINC000176541064	509571172	/nfs/dbraw/zinc/57/11/72/509571172.db2.gz	NKINCYLTCNOSIY-SFHVURJKSA-N	0	0	369.490	2.694	10	30		FFEERN
N#CCSc1cccc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)c1	ZINC000186209743	509578404	/nfs/dbraw/zinc/57/84/04/509578404.db2.gz	GBHOLYXOINVPOK-UHFFFAOYSA-N	0	0	367.478	2.865	10	30		FFEERN
N#C[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)C1CCCCC1	ZINC000176577328	509592245	/nfs/dbraw/zinc/59/22/45/509592245.db2.gz	JMIKFLKDPNQKEL-SFHVURJKSA-N	0	0	354.454	2.522	10	30		FFEERN
CN1C(=O)C[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000249134966	509617545	/nfs/dbraw/zinc/61/75/45/509617545.db2.gz	YOQAHGXDRQTWFB-NSHGMRRFSA-N	0	0	369.852	2.807	10	30		FFEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1	ZINC000173653533	509700092	/nfs/dbraw/zinc/70/00/92/509700092.db2.gz	SOXPOTRIGHJMMN-HNNXBMFYSA-N	0	0	373.416	2.868	10	30		FFEERN
N#Cc1ccc(N2CCC[C@@H](Sc3ncnc4[nH]cnc43)C2=O)cc1	ZINC000180053086	509727985	/nfs/dbraw/zinc/72/79/85/509727985.db2.gz	FHTUNWVMAUMXHY-CYBMUJFWSA-N	0	0	350.407	2.512	10	30		FFEERN
N#CCOc1cccc(CC(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1	ZINC000180141302	509774479	/nfs/dbraw/zinc/77/44/79/509774479.db2.gz	UUHHJPXMIVAZGB-KXBFYZLASA-N	0	0	372.371	2.744	10	30		FFEERN
COc1cc(OC)cc([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1	ZINC000177027116	509825560	/nfs/dbraw/zinc/82/55/60/509825560.db2.gz	UUSSSTJCCDPHAO-OAHLLOKOSA-N	0	0	372.446	2.754	10	30		FFEERN
Cc1ccc(C=NOC(=O)c2c(I)cnn2C)cc1	ZINC000254631003	509908881	/nfs/dbraw/zinc/90/88/81/509908881.db2.gz	OBQGAAAOYPPNQH-UHFFFAOYSA-N	0	0	369.162	2.524	10	30		FFEERN
COc1ccc(OC)c(S(=O)(=O)NN=C(C)c2c[nH]c3ccccc23)c1	ZINC000254798684	509910697	/nfs/dbraw/zinc/91/06/97/509910697.db2.gz	YLOKFLJYCSAEGU-UHFFFAOYSA-N	0	0	373.434	2.888	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](OC)C[C@H]1c1nc(C)no1	ZINC000190131297	509956713	/nfs/dbraw/zinc/95/67/13/509956713.db2.gz	RRAIPKZDCCAFOK-ZFWWWQNUSA-N	0	0	374.372	2.523	10	30		FFEERN
N#CCc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccncc2)cc1	ZINC000177261856	509966613	/nfs/dbraw/zinc/96/66/13/509966613.db2.gz	FECWNJNBAWRRQC-HXUWFJFHSA-N	0	0	370.412	2.992	10	30		FFEERN
N#Cc1ccc(N2CCC[C@H](N3CC[C@@H](Oc4cccnc4)C3)C2=O)cc1	ZINC000245528619	509985912	/nfs/dbraw/zinc/98/59/12/509985912.db2.gz	QTVRSTQRVYIYRE-UXHICEINSA-N	0	0	362.433	2.602	10	30		FFEERN
N#CCOc1ccccc1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl	ZINC000183868754	510014315	/nfs/dbraw/zinc/01/43/15/510014315.db2.gz	NAQUWFJHZGGJGN-KRWDZBQOSA-N	0	0	369.808	2.556	10	30		FFEERN
C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCOc3c(C)cccc32)c1	ZINC000190235221	510018342	/nfs/dbraw/zinc/01/83/42/510018342.db2.gz	GVCZHESHVHVDEZ-SFHVURJKSA-N	0	0	363.417	2.738	10	30		FFEERN
C=C(C)COc1cc(CN2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)ccc1OC	ZINC000245745854	510123928	/nfs/dbraw/zinc/12/39/28/510123928.db2.gz	MUCJMRKJYFSLOG-PKOBYXMFSA-N	0	0	362.514	2.927	10	30		FFEERN
N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCCn4ncnc43)c2)cc1	ZINC000177595421	510151513	/nfs/dbraw/zinc/15/15/13/510151513.db2.gz	YWJVHTHYBHPHHJ-LJQANCHMSA-N	0	0	373.416	2.994	10	30		FFEERN
CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000180922874	510185195	/nfs/dbraw/zinc/18/51/95/510185195.db2.gz	KDDDDEOMDMWCEN-GOSISDBHSA-N	0	0	361.449	2.773	10	30		FFEERN
COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1	ZINC000245883016	510185456	/nfs/dbraw/zinc/18/54/56/510185456.db2.gz	BSFUBWCOIHFWQK-GUDVDZBRSA-N	0	0	364.401	2.756	10	30		FFEERN
C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccccc2OCC#N)C1	ZINC000190641311	510255615	/nfs/dbraw/zinc/25/56/15/510255615.db2.gz	DEGDJKMRUJXSPU-SFHVURJKSA-N	0	0	364.449	2.578	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000181610948	510500309	/nfs/dbraw/zinc/50/03/09/510500309.db2.gz	ZKCJQVMFMCXSRJ-CQSZACIVSA-N	0	0	371.416	2.689	10	30		FFEERN
C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)C1	ZINC000246748596	510651812	/nfs/dbraw/zinc/65/18/12/510651812.db2.gz	NSCWTOOEFCHJHD-OXFYSEKESA-N	0	0	354.454	2.522	10	30		FFEERN
CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000172474961	510746487	/nfs/dbraw/zinc/74/64/87/510746487.db2.gz	PEUBQIXJGATCEA-AWEZNQCLSA-N	0	0	368.441	2.808	10	30		FFEERN
C=C(C)COc1cc(CN2CCOC[C@H]2c2nc(C)no2)ccc1OC	ZINC000188480477	510789113	/nfs/dbraw/zinc/78/91/13/510789113.db2.gz	CMVKYRHJBHOQCS-INIZCTEOSA-N	0	0	359.426	2.915	10	30		FFEERN
Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1C	ZINC000172591778	510811122	/nfs/dbraw/zinc/81/11/22/510811122.db2.gz	QOKVYAVENUTCEV-MRXNPFEDSA-N	0	0	358.467	2.743	10	30		FFEERN
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1	ZINC000185424933	510841383	/nfs/dbraw/zinc/84/13/83/510841383.db2.gz	TXYZJBFDZHYLJL-RYUDHWBXSA-N	0	0	362.373	2.966	10	30		FFEERN
O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)N[C@H]1CCCc2ccccc21	ZINC000329903623	510874049	/nfs/dbraw/zinc/87/40/49/510874049.db2.gz	IKVDBPVCBQEWOR-BQFCYCMXSA-N	0	0	369.444	2.975	10	30		FFEERN
CS[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)C1	ZINC000330013754	510899791	/nfs/dbraw/zinc/89/97/91/510899791.db2.gz	AGEQJVCFULYHAU-KQTLUZQSSA-N	0	0	365.503	2.758	10	30		FFEERN
O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@H]1CCO[C@@H]1c1cccnc1	ZINC000330062577	510908366	/nfs/dbraw/zinc/90/83/66/510908366.db2.gz	PIGXNCAZEDGDEE-YESZJQIVSA-N	0	0	353.426	2.575	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NC[C@@H]3CCO[C@H]3C(C)C)C2)n1	ZINC000330213493	510939263	/nfs/dbraw/zinc/93/92/63/510939263.db2.gz	LADKSUIZVIPSMV-SQNIBIBYSA-N	0	0	363.506	2.582	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCS[C@@H](C)CC1)CCC2	ZINC000330225250	510941835	/nfs/dbraw/zinc/94/18/35/510941835.db2.gz	OCDXFCYIFGRFIR-DZGCQCFKSA-N	0	0	352.504	2.648	10	30		FFEERN
CC(=O)N[C@@H]1CCCN(C(=O)c2sc([C@@H]3CCCOC3)nc2C)C1	ZINC000330294713	510959063	/nfs/dbraw/zinc/95/90/63/510959063.db2.gz	FILQTFQRZJBVBV-ZIAGYGMSSA-N	0	0	351.472	2.927	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cnn(CC)c2)[C@@]12CCCO2	ZINC000330348680	510971537	/nfs/dbraw/zinc/97/15/37/510971537.db2.gz	IZMAXGOCKGIUPO-NRUGXNMXSA-N	0	0	363.458	2.664	10	30		FFEERN
CC(C)N1C(=O)N[C@@H]2CN(c3ccc(Br)cc3C#N)CC[C@@H]21	ZINC000284660866	511813941	/nfs/dbraw/zinc/81/39/41/511813941.db2.gz	WGURNFPPOYYCIF-HIFRSBDPSA-N	0	0	363.259	2.702	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CN(Cc3ccccc3)CCO1)CCC2	ZINC000328662729	511912474	/nfs/dbraw/zinc/91/24/74/511912474.db2.gz	XNLGVXREHSIMDG-OALUTQOASA-N	0	0	368.481	2.926	10	30		FFEERN
C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1	ZINC000328742365	511924673	/nfs/dbraw/zinc/92/46/73/511924673.db2.gz	NXIHTEUZWSLGEI-ZIAGYGMSSA-N	0	0	366.531	2.822	10	30		FFEERN
C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCN(C(=O)Cc3ccccc3)C2)CCO1	ZINC000328898508	511947853	/nfs/dbraw/zinc/94/78/53/511947853.db2.gz	WRDYLWPYDMDEDI-BHIYHBOVSA-N	0	0	373.497	2.539	10	30		FFEERN
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCO[C@H]3C)C2)s1	ZINC000328925051	511951537	/nfs/dbraw/zinc/95/15/37/511951537.db2.gz	NZBWPVDDPRDGQL-MELADBBJSA-N	0	0	372.512	2.591	10	30		FFEERN
CNC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)C[C@@H]1c1cnn(C)c1	ZINC000328969002	511958728	/nfs/dbraw/zinc/95/87/28/511958728.db2.gz	NZTQTNUPMCZHHD-MANSERQUSA-N	0	0	366.465	2.661	10	30		FFEERN
Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC1CCN(c2ccccn2)CC1	ZINC000328974573	511960108	/nfs/dbraw/zinc/96/01/08/511960108.db2.gz	VYNHMYPIAMFNTC-NVXWUHKLSA-N	0	0	355.442	2.518	10	30		FFEERN
CC1(C)C[C@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)c2ccccc2O1	ZINC000329063351	511975261	/nfs/dbraw/zinc/97/52/61/511975261.db2.gz	OEXQVHQUVGBFFI-HOCLYGCPSA-N	0	0	355.442	2.959	10	30		FFEERN
C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)[C@@H](C)C1	ZINC000329064623	511977267	/nfs/dbraw/zinc/97/72/67/511977267.db2.gz	OSBDLXXOGJNTPC-AIIJBHBYSA-N	0	0	373.501	2.553	10	30		FFEERN
C[C@H](NC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc(-n2ccnc2)c1	ZINC000329116581	511986049	/nfs/dbraw/zinc/98/60/49/511986049.db2.gz	NMCVGBFWLBVCBH-VPWXQRGCSA-N	0	0	370.453	2.775	10	30		FFEERN
CC(=O)NC1CCC(NC(=O)N2CCC[C@H](Cc3noc(C)n3)C2)CC1	ZINC000329151925	511993393	/nfs/dbraw/zinc/99/33/93/511993393.db2.gz	AKHHLBGUVJPWTM-QQFBHYJXSA-N	0	0	363.462	2.834	10	30		FFEERN
Cc1c(NC(=O)N2CCc3cncnc3C2)cccc1C(=O)N1CCCC1	ZINC000329295134	512021474	/nfs/dbraw/zinc/02/14/74/512021474.db2.gz	SFWZSNVIJDAZRN-UHFFFAOYSA-N	0	0	365.437	2.625	10	30		FFEERN
CCc1nc2n(n1)C[C@H](NC(=O)C[C@@H]1Oc3ccccc3NC1=O)CC2	ZINC000329294260	512021821	/nfs/dbraw/zinc/02/18/21/512021821.db2.gz	JNXPEQXVIXAKKY-RISCZKNCSA-N	0	0	355.398	2.551	10	30		FFEERN
Cc1nc([C@@H]2CN(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CCO2)no1	ZINC000329320490	512026844	/nfs/dbraw/zinc/02/68/44/512026844.db2.gz	IWTGANRSUDPIIV-HOCLYGCPSA-N	0	0	372.425	2.968	10	30		FFEERN
N#Cc1cccc(CNC(=O)CN2CC(=O)Nc3cccc4c3[C@H]2CCC4)c1	ZINC000366444438	512027736	/nfs/dbraw/zinc/02/77/36/512027736.db2.gz	RNCJFYVKBVGFDT-LJQANCHMSA-N	0	0	374.444	2.506	10	30		FFEERN
Cn1cc([C@@H]2CCN(C(=O)N[C@H]3CCc4nc(C(C)(C)C)cn4C3)C2)cn1	ZINC000329340188	512030028	/nfs/dbraw/zinc/03/00/28/512030028.db2.gz	RLYFXUUUBSNPAI-ZBFHGGJFSA-N	0	0	370.501	2.632	10	30		FFEERN
O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)N[C@@H]1CCCCC[C@H]1O	ZINC000329397983	512038937	/nfs/dbraw/zinc/03/89/37/512038937.db2.gz	WUOBPQCDEIQLTL-BFYDXBDKSA-N	0	0	363.433	2.518	10	30		FFEERN
C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CCO[C@@H]1C1CC1	ZINC000329512506	512060564	/nfs/dbraw/zinc/06/05/64/512060564.db2.gz	CHJSPFKZDXHHHO-DAXOMENPSA-N	0	0	359.474	2.794	10	30		FFEERN
COC[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(Cl)cc1	ZINC000329539490	512065758	/nfs/dbraw/zinc/06/57/58/512065758.db2.gz	WAPHJBAHMZQOBO-RBSFLKMASA-N	0	0	351.834	2.992	10	30		FFEERN
C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000329764145	512094331	/nfs/dbraw/zinc/09/43/31/512094331.db2.gz	VKJJKHBCFUGDGG-IMJJTQAJSA-N	0	0	355.442	2.743	10	30		FFEERN
CC(C)c1nc([C@H]2COCCN2C(=O)NCC2C[C@@H](C)O[C@H](C)C2)no1	ZINC000329804330	512099254	/nfs/dbraw/zinc/09/92/54/512099254.db2.gz	LZNUHEPORANZSH-UMVBOHGHSA-N	0	0	366.462	2.684	10	30		FFEERN
CC(C)(C#N)CNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000408172986	513015062	/nfs/dbraw/zinc/01/50/62/513015062.db2.gz	CWKFDROMXOBBPH-HQHQJUQOSA-N	0	0	357.498	2.860	10	30		FFEERN
COC[C@@H]1C[C@@H](OC)CN1c1cc(C)c(C#N)c2nc3ccccc3n21	ZINC000489367959	514818553	/nfs/dbraw/zinc/81/85/53/514818553.db2.gz	XLEKPJANOJGQFM-LSDHHAIUSA-N	0	0	350.422	2.908	10	30		FFEERN
CC(C)(C)OC(=O)N1CCC(O)(C#CCOc2ccccc2C=O)CC1	ZINC000536553481	516820998	/nfs/dbraw/zinc/82/09/98/516820998.db2.gz	PVIJZWHQJYIWAT-UHFFFAOYSA-N	0	0	359.422	2.643	10	30		FFEERN
Cc1noc([C@H]2CN(c3nc(C(F)(F)F)ccc3C#N)C[C@@H](C)O2)n1	ZINC000599153532	521058555	/nfs/dbraw/zinc/05/85/55/521058555.db2.gz	DYIDJRROWGCTCG-LDYMZIIASA-N	0	0	353.304	2.630	10	30		FFEERN
O=C(NCc1cscn1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1	ZINC000328630838	527586036	/nfs/dbraw/zinc/58/60/36/527586036.db2.gz	QGXLGXWFDSFJCA-HNNXBMFYSA-N	0	0	373.482	2.706	10	30		FFEERN
COC(=O)[C@@]1(Cl)O[C@]1(C)c1ccc(I)cc1	ZINC000234590312	570560909	/nfs/dbraw/zinc/56/09/09/570560909.db2.gz	PZWNGOVPTFOMKN-GHMZBOCLSA-N	0	0	352.555	2.645	10	30		FFEERN
C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CSCN2C(C)=O)c1	ZINC000102858156	728492815	/nfs/dbraw/zinc/49/28/15/728492815.db2.gz	STWSSJHLYJWETJ-GOSISDBHSA-N	0	0	354.431	2.716	10	30		FFEERN
C=CCN(Cc1cnn(-c2ccccc2)n1)S(=O)(=O)c1cccs1	ZINC000105392974	728505444	/nfs/dbraw/zinc/50/54/44/728505444.db2.gz	NPAFLUQENLESIN-UHFFFAOYSA-N	0	0	360.464	2.706	10	30		FFEERN
COCCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000171035639	728995612	/nfs/dbraw/zinc/99/56/12/728995612.db2.gz	IBJLVAIYBCVUAF-GRYCIOLGSA-N	0	0	355.221	2.568	10	30		FFEERN
C=C(Br)CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1	ZINC000171801061	729013666	/nfs/dbraw/zinc/01/36/66/729013666.db2.gz	KSTVJALZEGEPGF-UKRRQHHQSA-N	0	0	351.244	2.621	10	30		FFEERN
CC(C)[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000193737945	729488359	/nfs/dbraw/zinc/48/83/59/729488359.db2.gz	YYGKJAUBFTYIAY-SFKFPXOQSA-N	0	0	366.487	2.665	10	30		FFEERN
C[C@@H](NC(=O)N1C[C@@H]2COC[C@H](C1)O2)c1ccccc1Br	ZINC000328765188	729795111	/nfs/dbraw/zinc/79/51/11/729795111.db2.gz	AMAPYBMWTQAEQU-UTUOFQBUSA-N	0	0	355.232	2.524	10	30		FFEERN
N#CC1(CS(=O)(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)CCCC1	ZINC000333707337	729810417	/nfs/dbraw/zinc/81/04/17/729810417.db2.gz	PEUYWXXXJHURQK-UONOGXRCSA-N	0	0	354.497	2.972	10	30		FFEERN
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCc2ccccc21	ZINC000328922792	965052810	/nfs/dbraw/zinc/05/28/10/965052810.db2.gz	MRGJDGPKQRHIIO-LJQANCHMSA-N	0	0	355.482	2.617	10	30		FFEERN
Cc1ccccc1C1(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1	ZINC000328953503	965113107	/nfs/dbraw/zinc/11/31/07/965113107.db2.gz	XZQBARNGXFNGNX-UHFFFAOYSA-N	0	0	369.509	2.927	10	30		FFEERN
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C=C\c2ncccc2C)cc1	ZINC000588451918	965200020	/nfs/dbraw/zinc/20/00/20/965200020.db2.gz	WOISJRZFFJYSFQ-QXMHVHEDSA-N	0	0	371.462	2.848	10	30		FFEERN
Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H]3c4ccccc4C[C@H]3C)CCO2)c1	ZINC000329249376	967581300	/nfs/dbraw/zinc/58/13/00/967581300.db2.gz	SZIQRYXNUUBPGD-AYBZRNKSSA-N	0	0	354.454	2.740	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H](C3CC3)C2)CCC[N@@H+]1C	ZINC000329328681	967647632	/nfs/dbraw/zinc/64/76/32/967647632.db2.gz	KOMDOQLZLLVFIX-YQVWRLOYSA-N	0	0	359.518	2.839	10	30		FFEERN
Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc4c(c3)OCC(=O)N4)C2)nn1	ZINC000329474117	967737730	/nfs/dbraw/zinc/73/77/30/967737730.db2.gz	BNSHRHLHSFGARJ-CQSZACIVSA-N	0	0	367.409	2.739	10	30		FFEERN
Cc1nn(C)c(C)c1NC(=O)CNC1(c2noc(C3CC3)n2)CCCC1	ZINC000329652538	967914705	/nfs/dbraw/zinc/91/47/05/967914705.db2.gz	KYDWSFYTVULQAG-UHFFFAOYSA-N	0	0	358.446	2.944	10	30		FFEERN
Cc1noc(CN2CCN(C(=O)Nc3cccc4c3CCCC4)CC2)n1	ZINC000329847336	968160837	/nfs/dbraw/zinc/16/08/37/968160837.db2.gz	PGRUJKALZHVXEK-UHFFFAOYSA-N	0	0	355.442	2.620	10	30		FFEERN
C#CCN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1	ZINC000107566250	976824873	/nfs/dbraw/zinc/82/48/73/976824873.db2.gz	UFHCHPKMGDXHJM-NSISKUIASA-N	0	0	367.470	2.592	10	30		FFEERN
C#CCN(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCS(=O)(=O)C1	ZINC000104310147	1004529510	/nfs/dbraw/zinc/52/95/10/1004529510.db2.gz	FNMNAJLVHXUSAK-GOSISDBHSA-N	0	0	365.454	2.520	10	30		FFEERN
COc1ccc([C@@H]2C[C@H](C)N(C(=O)C(=O)Nc3cccc(C#N)c3)C2)cc1	ZINC000119115117	250435422	/nfs/dbraw/zinc/43/54/22/250435422.db2.gz	FBQVXNBXOWYITG-WMLDXEAASA-N	0	0	363.417	2.910	10	30		FFEERN
Cn1cc(N2CC[C@@H](Nc3cc(C#N)c4cc(Cl)ccc4n3)C2=O)cn1	ZINC000301275641	258039075	/nfs/dbraw/zinc/03/90/75/258039075.db2.gz	LWAMUPWYBJOZPK-MRXNPFEDSA-N	0	0	366.812	2.711	10	30		FFEERN
CN(C)c1noc(C2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)n1	ZINC000302852943	258112302	/nfs/dbraw/zinc/11/23/02/258112302.db2.gz	QOGDJPGYOGNJTB-UHFFFAOYSA-N	0	0	366.347	2.805	10	30		FFEERN
Cc1cc(NCCNc2ccc(C#N)c(C(F)(F)F)c2)n2ncnc2n1	ZINC000301516168	258053623	/nfs/dbraw/zinc/05/36/23/258053623.db2.gz	CUZRLKWOTJSYOJ-UHFFFAOYSA-N	0	0	361.331	2.847	10	30		FFEERN
C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)C[C@@H]1N1CCOCC1	ZINC000301568365	258056254	/nfs/dbraw/zinc/05/62/54/258056254.db2.gz	LHLLBHTYOIDNKX-ACJLOTCBSA-N	0	0	356.857	2.917	10	30		FFEERN
Cc1cc(N2CCN(c3ncnc4sccc43)CC2)c(C#N)c(C)n1	ZINC000301785376	258067378	/nfs/dbraw/zinc/06/73/78/258067378.db2.gz	OSSOMZWSFMCBTL-UHFFFAOYSA-N	0	0	350.451	2.901	10	30		FFEERN
CCCN(Cc1ccc(C#N)cc1)c1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000301792641	258067817	/nfs/dbraw/zinc/06/78/17/258067817.db2.gz	XFAKWQKRKCNWLQ-UHFFFAOYSA-N	0	0	363.377	2.891	10	30		FFEERN
COC(=O)Cc1cc(C(F)F)c(I)cc1C#N	ZINC000575389230	518208880	/nfs/dbraw/zinc/20/88/80/518208880.db2.gz	HHKMNYRWFACZBM-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
COC(=O)Cc1cc(C(F)(F)F)c(I)cc1C#N	ZINC000575392273	518209360	/nfs/dbraw/zinc/20/93/60/518209360.db2.gz	GHHABBFKDASEPT-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
COC(=O)c1c(I)cc(C(F)(F)F)cc1C#N	ZINC000575392141	518209505	/nfs/dbraw/zinc/20/95/05/518209505.db2.gz	BSMKNAWIOCNHAW-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
COC(=O)Cc1cc(I)cc(C#N)c1C(F)(F)F	ZINC000575392706	518209511	/nfs/dbraw/zinc/20/95/11/518209511.db2.gz	PFWDQRKWELASQM-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
COC(=O)c1cc(C(F)(F)F)c(C#N)cc1I	ZINC000575392114	518209533	/nfs/dbraw/zinc/20/95/33/518209533.db2.gz	BLPWKDMCIFYAJG-UHFFFAOYSA-N	0	0	355.053	2.968	10	30		FFEERN
N#Cc1cc(I)cc([N+](=O)[O-])c1Br	ZINC000575691769	518249679	/nfs/dbraw/zinc/24/96/79/518249679.db2.gz	HHLWOAYJIIINFG-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
N#CCSc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(F)cc1	ZINC000032985505	506322072	/nfs/dbraw/zinc/32/20/72/506322072.db2.gz	JROBPSZGNPUFDY-UHFFFAOYSA-N	0	0	365.393	2.847	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)NCCc3ccccc3F)cc2C1=O	ZINC000008352439	506645606	/nfs/dbraw/zinc/64/56/06/506645606.db2.gz	CVDXJVNXNHUMJO-UHFFFAOYSA-N	0	0	352.365	2.580	10	30		FFEERN
C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)Nc1ccccc1C#N	ZINC000008547975	506658976	/nfs/dbraw/zinc/65/89/76/506658976.db2.gz	KOCLKSFXFOTYPR-CYBMUJFWSA-N	0	0	364.434	2.712	10	30		FFEERN
C#C[C@@](C(=O)OC)(N(CC=C)C(=O)OCc1ccccc1)C(F)(F)F	ZINC000043464669	506745727	/nfs/dbraw/zinc/74/57/27/506745727.db2.gz	PVUZQYNDMZBABC-INIZCTEOSA-N	0	0	355.312	2.919	10	30		FFEERN
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000029780206	507790446	/nfs/dbraw/zinc/79/04/46/507790446.db2.gz	MGHOPQQBPDIERH-UONOGXRCSA-N	0	0	372.446	2.606	10	30		FFEERN
C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)Cc1cccc(C#N)c1	ZINC000108399968	507892511	/nfs/dbraw/zinc/89/25/11/507892511.db2.gz	GYOHTLKYXUJVTM-HNAYVOBHSA-N	0	0	356.447	2.850	10	30		FFEERN
N#C[C@@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1	ZINC000108834465	507921116	/nfs/dbraw/zinc/92/11/16/507921116.db2.gz	WTEYHGSOWRRDTC-BXUZGUMPSA-N	0	0	352.221	2.765	10	30		FFEERN
C=CCN(C)S(=O)(=O)c1ccc(NCc2noc3c2CCCC3)cc1	ZINC000108848650	507922006	/nfs/dbraw/zinc/92/20/06/507922006.db2.gz	OCYIZFWYPFTGPM-UHFFFAOYSA-N	0	0	361.467	2.972	10	30		FFEERN
CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCCn3ccnc32)ccc1OC	ZINC000081729189	508207108	/nfs/dbraw/zinc/20/71/08/508207108.db2.gz	HGAXOQGQDRGGPY-JKSUJKDBSA-N	0	0	368.437	2.766	10	30		FFEERN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC#N)CCC(C)C	ZINC000103496093	508315459	/nfs/dbraw/zinc/31/54/59/508315459.db2.gz	GZBBOBMUDPZYHR-UHFFFAOYSA-N	0	0	355.416	2.554	10	30		FFEERN
CCCn1cc(CN2CCCN(C(=O)Nc3ccc(C#N)cc3)CC2)cn1	ZINC000121881063	508439775	/nfs/dbraw/zinc/43/97/75/508439775.db2.gz	WMBRQOQKMRQQDY-UHFFFAOYSA-N	0	0	366.469	2.905	10	30		FFEERN
Cc1cc(C)n(C[C@H]2CN(Cc3ccc(N(C)CCC#N)cc3)CCO2)n1	ZINC000122618871	508563206	/nfs/dbraw/zinc/56/32/06/508563206.db2.gz	GJJOMHAEIIWTKJ-OAQYLSRUSA-N	0	0	367.497	2.751	10	30		FFEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(Cn2cccn2)CC1	ZINC000157812063	508615861	/nfs/dbraw/zinc/61/58/61/508615861.db2.gz	ZVQFDNTUGCYXLW-UHFFFAOYSA-N	0	0	364.858	2.509	10	30		FFEERN
CCCCCC#CCOc1ccc(S(=O)(=O)CC(=O)OCC)cc1	ZINC000136092704	508670059	/nfs/dbraw/zinc/67/00/59/508670059.db2.gz	CKBRMUKEZBZFHC-UHFFFAOYSA-N	0	0	352.452	2.986	10	30		FFEERN
C=C(C)COCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C	ZINC000136204090	508678370	/nfs/dbraw/zinc/67/83/70/508678370.db2.gz	WCOLJQRVBJTSPE-INIZCTEOSA-N	0	0	352.862	2.803	10	30		FFEERN
CCc1nnnn1-c1ccccc1NC(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000136641405	508705226	/nfs/dbraw/zinc/70/52/26/508705226.db2.gz	ATSHKXBIVKIROX-FMIVXFBMSA-N	0	0	374.404	2.779	10	30		FFEERN
C=CCN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000129504233	508733635	/nfs/dbraw/zinc/73/36/35/508733635.db2.gz	ZQVIMUHOYVZLBR-SECBINFHSA-N	0	0	364.250	2.514	10	30		FFEERN
C#CCOc1ccc(C(=O)N2CCCN(Cc3csc(C)n3)CC2)cc1	ZINC000119204686	508747748	/nfs/dbraw/zinc/74/77/48/508747748.db2.gz	NIBWNBVQCOBLSW-UHFFFAOYSA-N	0	0	369.490	2.812	10	30		FFEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)CC2	ZINC000154788663	508856010	/nfs/dbraw/zinc/85/60/10/508856010.db2.gz	LPOKZMQSTGLYIT-HNNXBMFYSA-N	0	0	367.453	2.562	10	30		FFEERN
CN1CCO[C@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1	ZINC000150937348	508926327	/nfs/dbraw/zinc/92/63/27/508926327.db2.gz	XQJLSGULSZWUEY-LJQANCHMSA-N	0	0	366.421	2.803	10	30		FFEERN
N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)c(F)c1	ZINC000125384651	508975681	/nfs/dbraw/zinc/97/56/81/508975681.db2.gz	WZYDDLJYHXYKDH-NSHDSACASA-N	0	0	369.418	2.861	10	30		FFEERN
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000151289607	508993568	/nfs/dbraw/zinc/99/35/68/508993568.db2.gz	LTVPXYGARXBHAB-LAUBAEHRSA-N	0	0	372.465	2.879	10	30		FFEERN
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](C)C#N)cc2)cc1C	ZINC000125782379	509029061	/nfs/dbraw/zinc/02/90/61/509029061.db2.gz	QFVYSYHQPAAYLC-CQSZACIVSA-N	0	0	357.435	2.746	10	30		FFEERN
CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000152038360	509134707	/nfs/dbraw/zinc/13/47/07/509134707.db2.gz	YJMZVSQVFZSTRI-JEJOPICUSA-N	0	0	365.437	2.968	10	30		FFEERN
CC(C)c1nc([C@H]2CCCN2C(=O)C#Cc2ccc3c(c2)OCO3)no1	ZINC000121652861	509180073	/nfs/dbraw/zinc/18/00/73/509180073.db2.gz	FHPABLFGPUKFEO-CQSZACIVSA-N	0	0	353.378	2.637	10	30		FFEERN
N#Cc1cccnc1-n1cc(NC2CCN(c3nccs3)CC2)cn1	ZINC000186023054	509485061	/nfs/dbraw/zinc/48/50/61/509485061.db2.gz	PGQNDVGXCIMWDH-UHFFFAOYSA-N	0	0	351.439	2.676	10	30		FFEERN
N#CCSc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1	ZINC000164300410	509487438	/nfs/dbraw/zinc/48/74/38/509487438.db2.gz	RWTYXJDQGYVDMM-MAUKXSAKSA-N	0	0	369.490	2.918	10	30		FFEERN
N#Cc1cccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)c1	ZINC000168319637	509645833	/nfs/dbraw/zinc/64/58/33/509645833.db2.gz	NJZGMMPFEZMQOH-OAHLLOKOSA-N	0	0	361.323	2.787	10	30		FFEERN
N#Cc1ccccc1S(=O)(=O)N1C[C@H](n2ccnc2)Cc2ccccc21	ZINC000173690191	509722880	/nfs/dbraw/zinc/72/28/80/509722880.db2.gz	WSSKAGIENKGJMZ-QGZVFWFLSA-N	0	0	364.430	2.747	10	30		FFEERN
CCc1nc(C2(NCCC(=O)Nc3ccc(C#N)cc3)CCCC2)no1	ZINC000173699374	509726763	/nfs/dbraw/zinc/72/67/63/509726763.db2.gz	LFVFQNHCODXCEM-UHFFFAOYSA-N	0	0	353.426	2.891	10	30		FFEERN
CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)no1	ZINC000173722794	509740279	/nfs/dbraw/zinc/74/02/79/509740279.db2.gz	KKWLVSPSICRXLY-AWEZNQCLSA-N	0	0	364.402	2.730	10	30		FFEERN
CC(C)n1nnnc1CSCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000176912496	509761070	/nfs/dbraw/zinc/76/10/70/509761070.db2.gz	VLSWYAHQBGAHSM-UHFFFAOYSA-N	0	0	350.835	2.651	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCC(Nc2cccnn2)CC1	ZINC000173782972	509773431	/nfs/dbraw/zinc/77/34/31/509773431.db2.gz	FQTQTLGEQIIDHA-UHFFFAOYSA-N	0	0	369.400	2.736	10	30		FFEERN
C[C@H](COCc1ccccc1)NC(=O)NCCOc1ccc(C#N)cc1	ZINC000173796119	509782656	/nfs/dbraw/zinc/78/26/56/509782656.db2.gz	UMHJPCXKTCUALN-MRXNPFEDSA-N	0	0	353.422	2.842	10	30		FFEERN
C=CCc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)cc(OC)c1OC	ZINC000170896276	509837915	/nfs/dbraw/zinc/83/79/15/509837915.db2.gz	XGZOSFVDCGUHCU-INIZCTEOSA-N	0	0	356.426	2.501	10	30		FFEERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000190111988	509944570	/nfs/dbraw/zinc/94/45/70/509944570.db2.gz	VISCEQHMIRGPAX-TZMCWYRMSA-N	0	0	361.789	2.897	10	30		FFEERN
C=CCc1cc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)cc(OC)c1O	ZINC000190156355	509973535	/nfs/dbraw/zinc/97/35/35/509973535.db2.gz	HNSRKRKERYYENA-CVEARBPZSA-N	0	0	359.426	2.783	10	30		FFEERN
C=C[C@@H]1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC	ZINC000257453443	509983479	/nfs/dbraw/zinc/98/34/79/509983479.db2.gz	JGKCGXVOATXMRM-DOEAQHAXSA-N	0	0	354.450	2.671	10	30		FFEERN
N#Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)ccn1	ZINC000193671090	510014799	/nfs/dbraw/zinc/01/47/99/510014799.db2.gz	BGNLCAIRTBEKKV-JKSUJKDBSA-N	0	0	361.323	2.920	10	30		FFEERN
CCO[C@H]1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C12CCOCC2	ZINC000187053429	510030199	/nfs/dbraw/zinc/03/01/99/510030199.db2.gz	ZRJJSVHSVMIHHX-GJZGRUSLSA-N	0	0	350.365	2.540	10	30		FFEERN
CC(C)N1C(=O)C[C@@H](C(=O)N[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000245601760	510032753	/nfs/dbraw/zinc/03/27/53/510032753.db2.gz	GAFNHCIOTFQXJJ-SIVJFFJCSA-N	0	0	351.809	2.805	10	30		FFEERN
C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000177588841	510149273	/nfs/dbraw/zinc/14/92/73/510149273.db2.gz	IHOQSEGKQCAGNR-JTQLQIEISA-N	0	0	358.847	2.562	10	30		FFEERN
CC(=O)N1CC[C@H](NC(=O)C#Cc2ccccc2)c2ccc(F)cc2C1	ZINC000184162393	510168228	/nfs/dbraw/zinc/16/82/28/510168228.db2.gz	MMBPGDLNRLCWKK-FQEVSTJZSA-N	0	0	350.393	2.787	10	30		FFEERN
N#CCOc1ccc(/C=C/C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)cc1	ZINC000194096475	510213219	/nfs/dbraw/zinc/21/32/19/510213219.db2.gz	LDYPIVGUFPIFIO-HKMNZKMDSA-N	0	0	361.401	2.844	10	30		FFEERN
N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2Cn2ccnc2)c1	ZINC000177774012	510245640	/nfs/dbraw/zinc/24/56/40/510245640.db2.gz	ZARMGYISXFGBAJ-GOSISDBHSA-N	0	0	352.438	2.995	10	30		FFEERN
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1	ZINC000177796068	510257664	/nfs/dbraw/zinc/25/76/64/510257664.db2.gz	GIURMDKQUSAWEU-MAUKXSAKSA-N	0	0	372.469	2.530	10	30		FFEERN
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](c2nccs2)C1	ZINC000171644381	510272843	/nfs/dbraw/zinc/27/28/43/510272843.db2.gz	CFSCMUHUQFXNSU-CQSZACIVSA-N	0	0	357.435	2.808	10	30		FFEERN
Cc1csc([C@@H]2CN(C(=O)NCc3cc(C#N)ccc3F)CCO2)n1	ZINC000194269257	510287775	/nfs/dbraw/zinc/28/77/75/510287775.db2.gz	DVZXXXOSGUSNEP-HNNXBMFYSA-N	0	0	360.414	2.745	10	30		FFEERN
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](c2cc(OC)cc(OC)c2)C1	ZINC000246288979	510408242	/nfs/dbraw/zinc/40/82/42/510408242.db2.gz	AWTMXUKTBVGDCL-JKSUJKDBSA-N	0	0	359.470	2.501	10	30		FFEERN
CCc1csc([C@@H]2CCCN(CC(=O)N(CCC#N)CCC#N)C2)n1	ZINC000195384118	510806724	/nfs/dbraw/zinc/80/67/24/510806724.db2.gz	NMYMWYJTJVCOHL-OAHLLOKOSA-N	0	0	359.499	2.541	10	30		FFEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000247163740	510847590	/nfs/dbraw/zinc/84/75/90/510847590.db2.gz	UHCREAGHRABELT-XJKSGUPXSA-N	0	0	354.859	2.527	10	30		FFEERN
Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](C)C2	ZINC000182313152	510848723	/nfs/dbraw/zinc/84/87/23/510848723.db2.gz	CRDAHJOFFXSTTF-KPZWWZAWSA-N	0	0	351.381	2.994	10	30		FFEERN
N#Cc1ccc(CNC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cc1	ZINC000182320355	510849888	/nfs/dbraw/zinc/84/98/88/510849888.db2.gz	JVBOBNCSQVMOSJ-KRWDZBQOSA-N	0	0	364.453	2.923	10	30		FFEERN
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21	ZINC000247201258	510851085	/nfs/dbraw/zinc/85/10/85/510851085.db2.gz	WETMUKHITUVQPA-ZIAGYGMSSA-N	0	0	374.384	2.909	10	30		FFEERN
COc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]32)cc1-n1nnnc1C1CC1	ZINC000329943443	510882729	/nfs/dbraw/zinc/88/27/29/510882729.db2.gz	WDFJEJZKDVBDBZ-OCCSQVGLSA-N	0	0	354.414	2.578	10	30		FFEERN
O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@H]1CCCc2cccnc21	ZINC000329970519	510890281	/nfs/dbraw/zinc/89/02/81/510890281.db2.gz	XXEPHUFGGYMJFT-JYJNAYRXSA-N	0	0	355.417	2.865	10	30		FFEERN
C[C@@H]1CN(C(=O)N[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)C[C@H]1CO	ZINC000330041167	510904986	/nfs/dbraw/zinc/90/49/86/510904986.db2.gz	GCVFPNOCQNEILT-IFIJOSMWSA-N	0	0	362.861	2.637	10	30		FFEERN
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000330197175	510935336	/nfs/dbraw/zinc/93/53/36/510935336.db2.gz	RLCCZSXKCJNSSB-LZLYRXPVSA-N	0	0	358.486	2.692	10	30		FFEERN
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CCCSC1	ZINC000330206303	510938149	/nfs/dbraw/zinc/93/81/49/510938149.db2.gz	DZFYXRJMRUGWRZ-USXIJHARSA-N	0	0	365.547	2.544	10	30		FFEERN
CCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc(N3CCOCC3)cn2)cn1	ZINC000330255058	510948481	/nfs/dbraw/zinc/94/84/81/510948481.db2.gz	BDGYJZQPRGUXKS-FUHWJXTLSA-N	0	0	371.441	2.500	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1	ZINC000330269818	510952643	/nfs/dbraw/zinc/95/26/43/510952643.db2.gz	SKJFAHIXMIUPSX-MXWKQRLJSA-N	0	0	362.352	2.793	10	30		FFEERN
C=C[C@H](C)n1cnc(I)c1I	ZINC000306475813	511764739	/nfs/dbraw/zinc/76/47/39/511764739.db2.gz	YARLEEQVFGORTN-YFKPBYRVSA-N	0	0	373.963	2.839	10	30		FFEERN
CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C12CCC2	ZINC000328601131	511889807	/nfs/dbraw/zinc/88/98/07/511889807.db2.gz	DZFAGZDIGJPEDX-LTIDMASMSA-N	0	0	363.502	2.629	10	30		FFEERN
CC1(C)C[C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C(C)(C)O1	ZINC000328603839	511890800	/nfs/dbraw/zinc/89/08/00/511890800.db2.gz	IDJPIMQYOVYXGQ-ILXRZTDVSA-N	0	0	351.491	2.627	10	30		FFEERN
CN(C)c1ccc(N[C@@H]2CCCN(C(=O)NC3CCOCC3)CC2)cn1	ZINC000328655227	511909564	/nfs/dbraw/zinc/90/95/64/511909564.db2.gz	YETQEGKYWDIBME-OAHLLOKOSA-N	0	0	361.490	2.507	10	30		FFEERN
N#C[C@@H]1CN([C@H]2CCN(c3ccccc3)C2=O)C[C@@]12C(=O)Nc1ccccc12	ZINC000328674859	511913935	/nfs/dbraw/zinc/91/39/35/511913935.db2.gz	KENWYPVZRUFAEN-QOEFQVSFSA-N	0	0	372.428	2.787	10	30		FFEERN
C[C@H](C(=O)N[C@@H]1CCC(=O)NC12CCC2)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000328756587	511926997	/nfs/dbraw/zinc/92/69/97/511926997.db2.gz	UIRAUIAPGVAOCF-AAVRWANBSA-N	0	0	361.442	2.548	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)CN1c3ccccc3O[C@@H](C)C1=O)CCC2	ZINC000328845630	511939952	/nfs/dbraw/zinc/93/99/52/511939952.db2.gz	VIRRUAXQHDDILE-GJZGRUSLSA-N	0	0	368.437	2.840	10	30		FFEERN
CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCc1nnc(C2CCC2)n1C	ZINC000329068246	511976220	/nfs/dbraw/zinc/97/62/20/511976220.db2.gz	XLHNZTJYZOAVOM-UKRRQHHQSA-N	0	0	358.446	2.533	10	30		FFEERN
O=C(CN1CCn2c(nnc2C2CC2)C1)NC12CC3CC(CC(C3)C1)C2	ZINC000329131484	511989903	/nfs/dbraw/zinc/98/99/03/511989903.db2.gz	AFLJSGPCWVURKK-UHFFFAOYSA-N	0	0	355.486	2.896	10	30		FFEERN
Cc1cccc2c1OCC[C@H]2NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C	ZINC000329196543	512002984	/nfs/dbraw/zinc/00/29/84/512002984.db2.gz	TVAJOXQOALWTDX-VYDXJSESSA-N	0	0	356.426	2.586	10	30		FFEERN
Cc1cn2c(n1)[C@H](CNC(=O)N1CCO[C@H](Cc3ccccc3)C1)CCC2	ZINC000329205165	512004927	/nfs/dbraw/zinc/00/49/27/512004927.db2.gz	DHWCMNZAZWETBV-RBUKOAKNSA-N	0	0	368.481	2.926	10	30		FFEERN
CCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCC(c3ccc(O)cc3)CC1)CC2	ZINC000329286070	512020256	/nfs/dbraw/zinc/02/02/56/512020256.db2.gz	GRSVGEUCGZYIBG-INIZCTEOSA-N	0	0	369.469	2.655	10	30		FFEERN
O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCCCC[C@H]1c1ccccc1	ZINC000329390514	512038398	/nfs/dbraw/zinc/03/83/98/512038398.db2.gz	SGKUDMCSYYRMHA-OKZBNKHCSA-N	0	0	355.442	2.749	10	30		FFEERN
C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CCN(CC(F)(F)F)CC1	ZINC000329601961	512074766	/nfs/dbraw/zinc/07/47/66/512074766.db2.gz	XUOKTWRDMQEDRH-CYUUQNCZSA-N	0	0	364.408	2.657	10	30		FFEERN
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329651229	512081937	/nfs/dbraw/zinc/08/19/37/512081937.db2.gz	KGMCDNJSLPUQQH-DYVFJYSZSA-N	0	0	370.501	2.939	10	30		FFEERN
C[C@@H]1CSCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000408204815	513019457	/nfs/dbraw/zinc/01/94/57/513019457.db2.gz	WJXDTQKORDORRB-UKRRQHHQSA-N	0	0	362.474	2.813	10	30		FFEERN
CC1(O)CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1	ZINC000408284349	513038295	/nfs/dbraw/zinc/03/82/95/513038295.db2.gz	XKFASOVKMJFBCD-UHFFFAOYSA-N	0	0	357.454	2.805	10	30		FFEERN
COC(=O)Cc1cc(I)c(C#N)cc1C(F)F	ZINC000575389415	518208732	/nfs/dbraw/zinc/20/87/32/518208732.db2.gz	LXFRDSAJMGYDTR-UHFFFAOYSA-N	0	0	351.090	2.816	10	30		FFEERN
CCOC(=O)c1c(I)ccc(C#N)c1OC(F)F	ZINC000575386133	518208809	/nfs/dbraw/zinc/20/88/09/518208809.db2.gz	MSDUQOTUNJGNFM-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
C#CCN1C(=O)[C@@]2(c3ccccc3-c3oc(N)nc32)C2=C1CC(C)(C)CC2=O	ZINC000020568312	518265580	/nfs/dbraw/zinc/26/55/80/518265580.db2.gz	WKPAUTFKICNPCF-QFIPXVFZSA-N	0	0	373.412	2.642	10	30		FFEERN
C#CCN(C(=O)CCc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1	ZINC000104309629	728501630	/nfs/dbraw/zinc/50/16/30/728501630.db2.gz	WKJXTZFXJBYJAT-AWEZNQCLSA-N	0	0	374.289	2.575	10	30		FFEERN
C[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	ZINC000125822924	728688286	/nfs/dbraw/zinc/68/82/86/728688286.db2.gz	FYMMZWJJXDETCW-LLVKDONJSA-N	0	0	363.826	2.783	10	30		FFEERN
C#CCSCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C	ZINC000130472883	728718315	/nfs/dbraw/zinc/71/83/15/728718315.db2.gz	DMXVCFHLHSJXGD-HNNXBMFYSA-N	0	0	352.887	2.577	10	30		FFEERN
COC(=O)[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000171372064	729003145	/nfs/dbraw/zinc/00/31/45/729003145.db2.gz	IBFMMPZYWDAMMS-MGPQQGTHSA-N	0	0	351.387	2.667	10	30		FFEERN
C#CCCCNC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000175287140	729092780	/nfs/dbraw/zinc/09/27/80/729092780.db2.gz	PANDWYKHFOIWCT-VIFPVBQESA-N	0	0	353.205	2.508	10	30		FFEERN
C=CCn1c(C)nn(CN2CCO[C@H](c3nc(C)cs3)C2)c1=S	ZINC000195295373	729534602	/nfs/dbraw/zinc/53/46/02/729534602.db2.gz	JNZSIPQGEICHNR-ZDUSSCGKSA-N	0	0	351.501	2.704	10	30		FFEERN
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1sccc1C1CC1	ZINC000328944202	729796051	/nfs/dbraw/zinc/79/60/51/729796051.db2.gz	URRVNWHJJDSPGY-UHFFFAOYSA-N	0	0	361.511	2.874	10	30		FFEERN
C[C@@H]1CN(Cc2csc(NC(=O)N[C@@H]3CCC[C@@H]3C#N)n2)C[C@@H](C)O1	ZINC000329582189	729798096	/nfs/dbraw/zinc/79/80/96/729798096.db2.gz	AIZRTHUYDDYBEF-RGCMKSIDSA-N	0	0	363.487	2.770	10	30		FFEERN
C[C@@H]1OCC[C@@H]1NC(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1	ZINC000329672197	729798554	/nfs/dbraw/zinc/79/85/54/729798554.db2.gz	SKJFAHIXMIUPSX-GARJFASQSA-N	0	0	362.352	2.793	10	30		FFEERN
Cc1nc([C@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cs1	ZINC000329957550	729799643	/nfs/dbraw/zinc/79/96/43/729799643.db2.gz	MAIXLEQLMJNSHX-CFVMTHIKSA-N	0	0	363.483	2.910	10	30		FFEERN
CC1(C)CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C[C@@H](C(F)(F)F)O1	ZINC000330206832	729800400	/nfs/dbraw/zinc/80/04/00/729800400.db2.gz	FNTKDWJFKSRDIQ-MNOVXSKESA-N	0	0	363.380	2.984	10	30		FFEERN
C=CC[C@]1(C(=O)N[C@H](CO)C/C=C\C)CCCN1C(=O)OC(C)(C)C	ZINC000588581830	845982109	/nfs/dbraw/zinc/98/21/09/845982109.db2.gz	WELBIOQLRJBTTE-WNFWLEEMSA-N	0	0	352.475	2.776	10	30		FFEERN
Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(CC(=O)NC(=O)NC2CC2)C1	ZINC000328944010	965095666	/nfs/dbraw/zinc/09/56/66/965095666.db2.gz	LRJNDBRWGGOUHN-SNVBAGLBSA-N	0	0	373.379	2.651	10	30		FFEERN
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C1(c2ccccc2F)CC1	ZINC000328953865	965114663	/nfs/dbraw/zinc/11/46/63/965114663.db2.gz	YDRYEFVFAAREGN-UHFFFAOYSA-N	0	0	373.472	2.758	10	30		FFEERN
C=CCCN(OCc1ccccc1)C(=O)/C=C\c1cncc(C(=O)NC)c1	ZINC000588550503	967003369	/nfs/dbraw/zinc/00/33/69/967003369.db2.gz	MFXZGVAHZGILRX-KHPPLWFESA-N	0	0	365.433	2.991	10	30		FFEERN
CCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H]1CCCOc3ccc(F)cc31)CC2	ZINC000329275812	967607263	/nfs/dbraw/zinc/60/72/63/967607263.db2.gz	BRUDANLJMIPOGV-UKRRQHHQSA-N	0	0	373.432	2.712	10	30		FFEERN
Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)on1	ZINC000329688484	967943891	/nfs/dbraw/zinc/94/38/91/967943891.db2.gz	VMWIKUKDKXUSJR-HOTGVXAUSA-N	0	0	370.457	2.801	10	30		FFEERN
Cn1cc(N2CCC[C@H](NC(=O)C3C4CC5CC(C4)CC3C5)C2=O)cn1	ZINC000329705091	967957202	/nfs/dbraw/zinc/95/72/02/967957202.db2.gz	JDIKBJGADACWBH-HRWDSRQLSA-N	0	0	356.470	2.944	10	30		FFEERN
N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1	ZINC000332841806	977673856	/nfs/dbraw/zinc/67/38/56/977673856.db2.gz	LGFDVNLOTWQHSP-ARFHVFGLSA-N	0	0	373.457	2.892	10	30		FFEERN
C#Cc1cccc(N(C)C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)c1	ZINC000103102039	1000029110	/nfs/dbraw/zinc/02/91/10/1000029110.db2.gz	WOAAYIROPYNQNC-INIZCTEOSA-N	0	0	354.356	2.962	10	30		FFEERN
C#CCN(C(=O)c1cc2c(ccc3ccccc23)[nH]1)[C@@H]1CCS(=O)(=O)C1	ZINC000104309657	1004529169	/nfs/dbraw/zinc/52/91/69/1004529169.db2.gz	CLINBSGVHKDQNA-OAHLLOKOSA-N	0	0	366.442	2.584	10	30		FFEERN
O=c1[nH][nH]c2c1[C@H](c1ncc[nH]1)C1=C(C[C@@H](c3cccs3)CC1=O)N2	ZINC000018196400	220227863	/nfs/dbraw/zinc/22/78/63/220227863.db2.gz	WKRMTAQDNWDZHG-AMIZOPFISA-N	0	0	353.407	2.858	10	30		FFEERN
CCCC(=O)N[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000101565429	250078594	/nfs/dbraw/zinc/07/85/94/250078594.db2.gz	WGVAZUISLNGXJW-OAHLLOKOSA-N	0	0	362.861	2.531	10	30		FFEERN
N#Cc1cccc(OCc2ccoc2C(=O)N2CCN(C3CC3)CC2)c1	ZINC000102341054	250105766	/nfs/dbraw/zinc/10/57/66/250105766.db2.gz	XAPPMJMRNOKUPQ-UHFFFAOYSA-N	0	0	351.406	2.650	10	30		FFEERN
COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(N)=S)CCC3)c1	ZINC000040824478	220923036	/nfs/dbraw/zinc/92/30/36/220923036.db2.gz	KEZKHKGKDMUKGL-FYJGNVAPSA-N	0	0	372.450	2.723	10	30		FFEERN
C#CCNC(=O)[C@@H](C)Nc1ccc(Br)cc1Br	ZINC000049163876	221020433	/nfs/dbraw/zinc/02/04/33/221020433.db2.gz	QPUMLENLWAGTLR-MRVPVSSYSA-N	0	0	360.049	2.761	10	30		FFEERN
N#Cc1cc(S(=O)(=O)N[C@H]2CCC(=O)NC23CCC3)ccc1Cl	ZINC000328743626	258119338	/nfs/dbraw/zinc/11/93/38/258119338.db2.gz	NMSXHUNNSXKTEW-ZDUSSCGKSA-N	0	0	353.831	2.532	10	30		FFEERN
N#Cc1c(Cl)nsc1N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1	ZINC000301646091	258060858	/nfs/dbraw/zinc/06/08/58/258060858.db2.gz	NWVDQPUTRJCAJL-HUUCEWRRSA-N	0	0	360.870	2.758	10	30		FFEERN
C[N@@H+]1CCO[C@H]2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@@H]21	ZINC000328991361	258126383	/nfs/dbraw/zinc/12/63/83/258126383.db2.gz	SKSDRRBJSDEHPT-IRXDYDNUSA-N	0	0	374.391	2.617	10	30		FFEERN
N#Cc1cc2c(nc1N[C@H]1CC(=O)N(c3c(F)cccc3F)C1)CCC2	ZINC000329096996	258129351	/nfs/dbraw/zinc/12/93/51/258129351.db2.gz	CAIIATSUTAZDDO-ZDUSSCGKSA-N	0	0	354.360	2.938	10	30		FFEERN
Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1	ZINC000100039919	222233007	/nfs/dbraw/zinc/23/30/07/222233007.db2.gz	ZVWZMJVPXGPSMP-SFQUDFHCSA-N	0	0	350.465	2.828	10	30		FFEERN
C[C@@H](Oc1ccc(O[C@@H](C)C(=O)/C=C\N(C)C)cc1)C(=O)/C=C/N(C)C	ZINC000100096694	222235972	/nfs/dbraw/zinc/23/59/72/222235972.db2.gz	OFEMPMXDFKBGNQ-KAJHNEHWSA-N	0	0	360.454	2.510	10	30		FFEERN
COC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1I	ZINC000575392112	518209549	/nfs/dbraw/zinc/20/95/49/518209549.db2.gz	BJMOQAUPCCNZOC-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
CN1C(=O)C[C@@H](CNC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1	ZINC000375165771	512191929	/nfs/dbraw/zinc/19/19/29/512191929.db2.gz	LTPIPRTXKKKZML-LPHOPBHVSA-N	0	0	351.381	2.647	10	30		FFEERN
N#Cc1ccc(OC2CCC(NC(=O)C[C@@H](O)c3ccccc3)CC2)nc1	ZINC000089355466	507832520	/nfs/dbraw/zinc/83/25/20/507832520.db2.gz	JWTVQLHPLDHDLM-CTWPCTMYSA-N	0	0	365.433	2.883	10	30		FFEERN
Cc1c(C(=O)NC2(C#N)CCCC2)nnn1-c1ccc(OC(F)F)cc1	ZINC000108814318	507919864	/nfs/dbraw/zinc/91/98/64/507919864.db2.gz	YKSFXGCEEKWHEB-UHFFFAOYSA-N	0	0	361.352	2.743	10	30		FFEERN
CCn1c(SCC(=O)N[C@@H](C#N)C2CC2)nnc1-c1cccc(C)c1	ZINC000108829830	507920677	/nfs/dbraw/zinc/92/06/77/507920677.db2.gz	FHYBQWQWKXQTRJ-HNNXBMFYSA-N	0	0	355.467	2.784	10	30		FFEERN
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C#N)C2CC2)c1	ZINC000108836006	507921108	/nfs/dbraw/zinc/92/11/08/507921108.db2.gz	DAXFTLPHWXODPK-GOSISDBHSA-N	0	0	369.446	2.544	10	30		FFEERN
N#C[C@@H](NC(=O)c1ccc(I)cc1Cl)C1CC1	ZINC000108836455	507921319	/nfs/dbraw/zinc/92/13/19/507921319.db2.gz	MREBGRYJQUHFBT-LLVKDONJSA-N	0	0	360.582	2.977	10	30		FFEERN
N#C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1	ZINC000108831464	507921511	/nfs/dbraw/zinc/92/15/11/507921511.db2.gz	UARBMJDXDFLSBT-LBPRGKRZSA-N	0	0	356.304	2.834	10	30		FFEERN
CN(C[C@H]1CCCOC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000109363114	507957539	/nfs/dbraw/zinc/95/75/39/507957539.db2.gz	IDPDYYQLPIGXQE-SJORKVTESA-N	0	0	374.460	2.734	10	30		FFEERN
CCCn1cc(CN2CCCN(C(=O)c3ccc(C#N)cc3)CC2)cn1	ZINC000109664031	507978119	/nfs/dbraw/zinc/97/81/19/507978119.db2.gz	GOLKRVSCIWTQIF-UHFFFAOYSA-N	0	0	351.454	2.513	10	30		FFEERN
CCn1cnnc1[C@@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1	ZINC000109856492	507992882	/nfs/dbraw/zinc/99/28/82/507992882.db2.gz	NSHYGSXNEOOWDN-QGZVFWFLSA-N	0	0	369.494	2.809	10	30		FFEERN
CC(C)C(=O)N[C@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1	ZINC000110028766	508001622	/nfs/dbraw/zinc/00/16/22/508001622.db2.gz	VPNWTEMMCDFQBX-KRWDZBQOSA-N	0	0	359.495	2.555	10	30		FFEERN
Cc1cc(=O)[nH]c(-c2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2)n1	ZINC000110249498	508016477	/nfs/dbraw/zinc/01/64/77/508016477.db2.gz	BWYHUZQPXOOBSH-UHFFFAOYSA-N	0	0	374.400	2.829	10	30		FFEERN
N#Cc1ccc(CSCC(=O)N2CCO[C@H](c3nccs3)C2)cc1	ZINC000110880113	508052482	/nfs/dbraw/zinc/05/24/82/508052482.db2.gz	JGGJQUGKVGDWJQ-HNNXBMFYSA-N	0	0	359.476	2.848	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)c1	ZINC000075177560	508087442	/nfs/dbraw/zinc/08/74/42/508087442.db2.gz	UEEPPTCOXOMYJP-LJQANCHMSA-N	0	0	367.424	2.605	10	30		FFEERN
CCCC(=O)N[C@@H]1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1	ZINC000080976436	508121292	/nfs/dbraw/zinc/12/12/92/508121292.db2.gz	WHYXQPMQURMBGF-CQSZACIVSA-N	0	0	367.409	2.900	10	30		FFEERN
C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000081568477	508190733	/nfs/dbraw/zinc/19/07/33/508190733.db2.gz	RKILDOGPTCQKBE-NSHDSACASA-N	0	0	351.834	2.812	10	30		FFEERN
C[C@@H](O)C#Cc1cc2c(nccc2Cl)n1S(=O)(=O)c1ccccc1	ZINC000095937862	508198281	/nfs/dbraw/zinc/19/82/81/508198281.db2.gz	CNFAEFOVZRSAMO-GFCCVEGCSA-N	0	0	360.822	2.659	10	30		FFEERN
N#CC1(NC(=O)c2ccc(I)c(F)c2)CCCC1	ZINC000104525252	508337607	/nfs/dbraw/zinc/33/76/07/508337607.db2.gz	JUEXQRTVSDBLQR-UHFFFAOYSA-N	0	0	358.154	2.996	10	30		FFEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)CSCc1ccc(C#N)cc1	ZINC000088197090	508356337	/nfs/dbraw/zinc/35/63/37/508356337.db2.gz	KZFKBSVJNQSHJM-HNNXBMFYSA-N	0	0	355.467	2.597	10	30		FFEERN
N#Cc1cccc(C(=O)N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)c1	ZINC000115155670	508372445	/nfs/dbraw/zinc/37/24/45/508372445.db2.gz	XUJSEDSCENQCQB-UHFFFAOYSA-N	0	0	371.444	2.702	10	30		FFEERN
CCCN(C[C@H]1CCCCO1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000106810967	508404919	/nfs/dbraw/zinc/40/49/19/508404919.db2.gz	ZWMGKRLMPZTZBR-OAHLLOKOSA-N	0	0	363.845	2.958	10	30		FFEERN
N#Cc1cccnc1N1CCN(C(=O)NC2C3CC4CC(C3)CC2C4)CC1	ZINC000127237073	508419840	/nfs/dbraw/zinc/41/98/40/508419840.db2.gz	CHFNQDWINZTMIG-UHFFFAOYSA-N	0	0	365.481	2.610	10	30		FFEERN
N#Cc1cccc(/C=C/C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)c1	ZINC000156713712	508466725	/nfs/dbraw/zinc/46/67/25/508466725.db2.gz	WSYVTMDHBANUOT-JBVUFVISSA-N	0	0	351.450	2.869	10	30		FFEERN
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](c3cnn(C)c3)C2)c1	ZINC000116315056	508498016	/nfs/dbraw/zinc/49/80/16/508498016.db2.gz	PMAMTIPGOYDNLT-GOSISDBHSA-N	0	0	365.481	2.773	10	30		FFEERN
Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](c3cnn(C)c3)C2)c1C	ZINC000116311969	508498108	/nfs/dbraw/zinc/49/81/08/508498108.db2.gz	RSILEGIZWMMIKK-GOSISDBHSA-N	0	0	365.481	2.773	10	30		FFEERN
C[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000156970247	508504456	/nfs/dbraw/zinc/50/44/56/508504456.db2.gz	JQTPFDDGLBIGSS-KBXCAEBGSA-N	0	0	361.401	2.832	10	30		FFEERN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000134505644	508541048	/nfs/dbraw/zinc/54/10/48/508541048.db2.gz	FVLPGOAZKVQQTI-ZDUSSCGKSA-N	0	0	360.805	2.606	10	30		FFEERN
Cc1cc(C)n(C[C@@H]2CN(Cc3ccc(N(C)CCC#N)cc3)CCO2)n1	ZINC000122618633	508563409	/nfs/dbraw/zinc/56/34/09/508563409.db2.gz	GJJOMHAEIIWTKJ-NRFANRHFSA-N	0	0	367.497	2.751	10	30		FFEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)Nc3ccc(CC#N)cc3)C2)n1	ZINC000116998903	508574959	/nfs/dbraw/zinc/57/49/59/508574959.db2.gz	CLPDLAKGQWYQBK-KRWDZBQOSA-N	0	0	352.442	2.905	10	30		FFEERN
CC(C)Oc1ccc(NC(=O)N2CCC[C@H](n3cncn3)C2)cc1C#N	ZINC000157771053	508610227	/nfs/dbraw/zinc/61/02/27/508610227.db2.gz	ROBPEUQPVLRUMY-INIZCTEOSA-N	0	0	354.414	2.806	10	30		FFEERN
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccn(CCC#N)n1	ZINC000117715686	508614109	/nfs/dbraw/zinc/61/41/09/508614109.db2.gz	VEDWPBJUGPRFGZ-WMLDXEAASA-N	0	0	353.426	2.580	10	30		FFEERN
N#Cc1ccc(OC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)c(F)c1	ZINC000158188923	508669504	/nfs/dbraw/zinc/66/95/04/508669504.db2.gz	JRGUMGULNPNDPY-INIZCTEOSA-N	0	0	353.353	2.693	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1	ZINC000136787654	508716549	/nfs/dbraw/zinc/71/65/49/508716549.db2.gz	NAMCSXHCXRCJHK-UHFFFAOYSA-N	0	0	369.469	2.725	10	30		FFEERN
N#Cc1ccc(F)c(CNC(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)c1	ZINC000130658414	508828064	/nfs/dbraw/zinc/82/80/64/508828064.db2.gz	NURGFBMROQGRCJ-KRWDZBQOSA-N	0	0	372.444	2.678	10	30		FFEERN
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1	ZINC000120250254	508958013	/nfs/dbraw/zinc/95/80/13/508958013.db2.gz	GTKKLNVLAXFKBG-QGZVFWFLSA-N	0	0	373.416	2.995	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N1CCC(Nc2cccnn2)CC1	ZINC000132066301	508993632	/nfs/dbraw/zinc/99/36/32/508993632.db2.gz	XTXJINVSGNYYIW-UHFFFAOYSA-N	0	0	368.437	2.767	10	30		FFEERN
N#Cc1ccc(NC(=O)N2CCC(c3ccnn3CCO)CC2)cc1Cl	ZINC000151518598	509035048	/nfs/dbraw/zinc/03/50/48/509035048.db2.gz	HTEXQXFOHBZPKT-UHFFFAOYSA-N	0	0	373.844	2.812	10	30		FFEERN
C[C@H](C#N)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1	ZINC000125849105	509036700	/nfs/dbraw/zinc/03/67/00/509036700.db2.gz	JRBAROKGQVLNAC-CYBMUJFWSA-N	0	0	367.434	2.707	10	30		FFEERN
N#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C1CC1	ZINC000161914859	509163833	/nfs/dbraw/zinc/16/38/33/509163833.db2.gz	WWRXIFVNLDFVCE-GLTYYMKBSA-N	0	0	355.482	2.612	10	30		FFEERN
N#Cc1ccc(OC2CCC(Nc3cc(=O)n4ccccc4n3)CC2)nc1	ZINC000121613219	509179453	/nfs/dbraw/zinc/17/94/53/509179453.db2.gz	OXGOQSCEKFWOBD-UHFFFAOYSA-N	0	0	361.405	2.763	10	30		FFEERN
C=CCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cnn(C)c1	ZINC000182577207	509312769	/nfs/dbraw/zinc/31/27/69/509312769.db2.gz	QWGCVRDIPIYVMG-INIZCTEOSA-N	0	0	362.474	2.897	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@H]21	ZINC000248629032	509400242	/nfs/dbraw/zinc/40/02/42/509400242.db2.gz	VYHOQGIMAKPKMR-GVDBMIGSSA-N	0	0	355.438	2.934	10	30		FFEERN
C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1	ZINC000164130839	509465830	/nfs/dbraw/zinc/46/58/30/509465830.db2.gz	WSPANXGASCHCHN-UZLBHIALSA-N	0	0	357.454	2.761	10	30		FFEERN
C=CC[C@@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1ccccc1	ZINC000189229545	509473263	/nfs/dbraw/zinc/47/32/63/509473263.db2.gz	ROGQMZSWRMHZAS-HXUWFJFHSA-N	0	0	352.482	2.814	10	30		FFEERN
C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000186011693	509479807	/nfs/dbraw/zinc/47/98/07/509479807.db2.gz	KRKZPRHWEXVIBQ-CYBMUJFWSA-N	0	0	367.434	2.716	10	30		FFEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000176519078	509558203	/nfs/dbraw/zinc/55/82/03/509558203.db2.gz	LSGDGKAYPODFPY-KRWDZBQOSA-N	0	0	364.453	2.921	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)c1	ZINC000165170802	509559197	/nfs/dbraw/zinc/55/91/97/509559197.db2.gz	XZQQZBXLVNBTOW-HNNXBMFYSA-N	0	0	357.414	2.537	10	30		FFEERN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1nnc2n1CCCC2	ZINC000173626579	509682290	/nfs/dbraw/zinc/68/22/90/509682290.db2.gz	KDUUKDZXIQAGHX-HUUCEWRRSA-N	0	0	373.526	2.930	10	30		FFEERN
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc(C#N)cc3)C[C@H]12	ZINC000183261754	509685220	/nfs/dbraw/zinc/68/52/20/509685220.db2.gz	CPNOCZDDSJYIHX-FGTMMUONSA-N	0	0	369.465	2.862	10	30		FFEERN
Cn1cc(CN2CCO[C@H](c3nccs3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180056354	509728955	/nfs/dbraw/zinc/72/89/55/509728955.db2.gz	UUPXRUWDVYDZPT-KRWDZBQOSA-N	0	0	365.462	2.989	10	30		FFEERN
C=CCNC(=O)NC(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1	ZINC000180062536	509731400	/nfs/dbraw/zinc/73/14/00/509731400.db2.gz	PMYCWBFJXAGPBC-HNNXBMFYSA-N	0	0	355.360	2.758	10	30		FFEERN
N#CCOc1cccc(CC(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1	ZINC000180141250	509774378	/nfs/dbraw/zinc/77/43/78/509774378.db2.gz	UUHHJPXMIVAZGB-DNVCBOLYSA-N	0	0	372.371	2.744	10	30		FFEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](NC(=O)CCC)C1	ZINC000173788669	509779719	/nfs/dbraw/zinc/77/97/19/509779719.db2.gz	IIDZDNUXLVLLLM-OAHLLOKOSA-N	0	0	361.417	2.750	10	30		FFEERN
N#Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)ccn1	ZINC000193671115	510014804	/nfs/dbraw/zinc/01/48/04/510014804.db2.gz	BGNLCAIRTBEKKV-HZPDHXFCSA-N	0	0	361.323	2.920	10	30		FFEERN
Cc1nccn1C[C@@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1C#N	ZINC000177372491	510020283	/nfs/dbraw/zinc/02/02/83/510020283.db2.gz	WCFLDUUDBHNGET-HNNXBMFYSA-N	0	0	357.483	2.845	10	30		FFEERN
Cc1nc(C[C@@H]2CCCN([C@@H](C)C(=O)Nc3ccccc3C#N)C2)no1	ZINC000171405615	510137111	/nfs/dbraw/zinc/13/71/11/510137111.db2.gz	HYACRJBLIRYGLG-ZFWWWQNUSA-N	0	0	353.426	2.531	10	30		FFEERN
N#CCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1	ZINC000171594832	510242803	/nfs/dbraw/zinc/24/28/03/510242803.db2.gz	FADXZHYHSLQGRA-MRXNPFEDSA-N	0	0	355.463	2.899	10	30		FFEERN
COc1cccc2c1CCN(C(=O)NCc1ccc(OCC#N)cc1)CC2	ZINC000194394116	510342136	/nfs/dbraw/zinc/34/21/36/510342136.db2.gz	JKOIOXRYDZSAEL-UHFFFAOYSA-N	0	0	365.433	2.908	10	30		FFEERN
N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1	ZINC000246202783	510359647	/nfs/dbraw/zinc/35/96/47/510359647.db2.gz	QDXNOZBTMGPUNY-HUUCEWRRSA-N	0	0	362.476	2.897	10	30		FFEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1nccs1	ZINC000188122664	510605792	/nfs/dbraw/zinc/60/57/92/510605792.db2.gz	PBKCVOTYXVRMSA-OAHLLOKOSA-N	0	0	369.446	2.847	10	30		FFEERN
CCc1noc([C@H](C)N2CCN(C(=O)Nc3cccc(C#N)c3C)CC2)n1	ZINC000178586047	510674904	/nfs/dbraw/zinc/67/49/04/510674904.db2.gz	DFMHNLBAWZFTSC-AWEZNQCLSA-N	0	0	368.441	2.723	10	30		FFEERN
C[C@H]1CN([C@H](CNC(=O)c2cccc(C#N)c2)c2cccs2)CCO1	ZINC000246794211	510679031	/nfs/dbraw/zinc/67/90/31/510679031.db2.gz	JNLIKUBODRHPQI-WMLDXEAASA-N	0	0	355.463	2.812	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cn1	ZINC000188434109	510764959	/nfs/dbraw/zinc/76/49/59/510764959.db2.gz	YBSBMEGHOGRBLC-LBPRGKRZSA-N	0	0	363.389	2.800	10	30		FFEERN
Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCc3ccccc32)no1	ZINC000329920302	510876776	/nfs/dbraw/zinc/87/67/76/510876776.db2.gz	DVDLUMDKCGBBJJ-ZOBUZTSGSA-N	0	0	358.417	2.977	10	30		FFEERN
Cc1cc2c(cc1C)O[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1)C2	ZINC000329969643	510889685	/nfs/dbraw/zinc/88/96/85/510889685.db2.gz	XMVQELXMFQWUFQ-XYJFISCASA-N	0	0	370.428	2.970	10	30		FFEERN
CCC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC000329973501	510891680	/nfs/dbraw/zinc/89/16/80/510891680.db2.gz	YRCJZVLDDNPKFJ-RLFYNMQTSA-N	0	0	362.474	2.586	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cccc(N2CCCC2=O)c1	ZINC000330014168	510900557	/nfs/dbraw/zinc/90/05/57/510900557.db2.gz	APOOJPLYCPWUED-CRAIPNDOSA-N	0	0	354.410	2.913	10	30		FFEERN
C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)[C@@H]1CCCO1	ZINC000330056475	510907598	/nfs/dbraw/zinc/90/75/98/510907598.db2.gz	VXLFPHYKECKUCP-PWXKEOIMSA-N	0	0	362.474	2.632	10	30		FFEERN
Cn1cnc2c(c1=O)CCN(C(=O)N[C@@H]1c3ccccc3CCC1(C)C)C2	ZINC000330070754	510911398	/nfs/dbraw/zinc/91/13/98/510911398.db2.gz	XKGULUWANMDSAU-GOSISDBHSA-N	0	0	366.465	2.766	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](c2nccs2)C1	ZINC000330204794	510936125	/nfs/dbraw/zinc/93/61/25/510936125.db2.gz	BXHZZGOFHZCVAV-MGPQQGTHSA-N	0	0	371.528	2.592	10	30		FFEERN
CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](C)NC(=O)C2CCCCC2)C1	ZINC000330213436	510939299	/nfs/dbraw/zinc/93/92/99/510939299.db2.gz	KXWIIFNCEAYIOY-NILFDRSVSA-N	0	0	364.446	2.592	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1CCC2(C[C@H]2N(C)Cc2nccs2)CC1	ZINC000330240173	510944448	/nfs/dbraw/zinc/94/44/48/510944448.db2.gz	FAUDWFJJUDBTRG-RBSFLKMASA-N	0	0	364.515	2.521	10	30		FFEERN
C#CCNC(=O)c1ccc(NCc2cccc(Cn3ccnc3C)c2)nc1	ZINC000301518247	511696394	/nfs/dbraw/zinc/69/63/94/511696394.db2.gz	KMIFSFMGUQBWRU-UHFFFAOYSA-N	0	0	359.433	2.610	10	30		FFEERN
CCc1cc(=O)n2nc(N3CCC[C@@H]3[C@H](C#N)c3ccccc3)sc2n1	ZINC000301449809	511696759	/nfs/dbraw/zinc/69/67/59/511696759.db2.gz	PMQHNCUUODQOLG-HZPDHXFCSA-N	0	0	365.462	2.990	10	30		FFEERN
Cc1noc([C@H]2CN(c3ccc(Br)cc3C#N)CCN2C)n1	ZINC000284447086	511727351	/nfs/dbraw/zinc/72/73/51/511727351.db2.gz	GBVWDOVRTIHQFQ-CQSZACIVSA-N	0	0	362.231	2.505	10	30		FFEERN
O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000328599115	511889627	/nfs/dbraw/zinc/88/96/27/511889627.db2.gz	BSMAXKFUSUCEIX-LAVFITLUSA-N	0	0	359.445	2.976	10	30		FFEERN
CS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1	ZINC000328605100	511890345	/nfs/dbraw/zinc/89/03/45/511890345.db2.gz	JESAWFNTXQORKB-FXUDXRNXSA-N	0	0	353.532	2.955	10	30		FFEERN
Cc1cnc([C@@H](C)NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)s1	ZINC000328618674	511895472	/nfs/dbraw/zinc/89/54/72/511895472.db2.gz	VIXXJKQIOKQTFS-MCIONIFRSA-N	0	0	350.488	2.807	10	30		FFEERN
CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccc(C#N)cn3)CC2)cn1	ZINC000328630517	511899246	/nfs/dbraw/zinc/89/92/46/511899246.db2.gz	JKQDXPHFMNDWMQ-MRXNPFEDSA-N	0	0	364.453	2.521	10	30		FFEERN
Cc1cnn([C@@H]2CCCN(C(=O)NC[C@H]3CCCn4cc(C)nc43)C2)c1	ZINC000328645845	511906315	/nfs/dbraw/zinc/90/63/15/511906315.db2.gz	GQBLEHMKMFWNBC-IAGOWNOFSA-N	0	0	356.474	2.825	10	30		FFEERN
CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(c2cccc(F)c2C#N)CC1	ZINC000328655565	511909967	/nfs/dbraw/zinc/90/99/67/511909967.db2.gz	YLXYTFMIAOTWQB-QGZVFWFLSA-N	0	0	367.428	2.895	10	30		FFEERN
CN(Cc1ccc([S@](C)=O)cc1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1	ZINC000328900229	511947873	/nfs/dbraw/zinc/94/78/73/511947873.db2.gz	YAMIWRSEGGKKGQ-HMFAJSFMSA-N	0	0	363.483	2.667	10	30		FFEERN
Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(c2ccccc2)C1	ZINC000328931012	511952755	/nfs/dbraw/zinc/95/27/55/511952755.db2.gz	HSOLGDUSINDMEA-KBAYOESNSA-N	0	0	354.454	2.981	10	30		FFEERN
Cc1noc([C@H](NC(=O)N[C@@H]2CCOc3ccccc32)C2CCOCC2)n1	ZINC000328964877	511958184	/nfs/dbraw/zinc/95/81/84/511958184.db2.gz	MBZMYODUTDETAD-NVXWUHKLSA-N	0	0	372.425	2.873	10	30		FFEERN
CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCO[C@@H]1c1cccnc1	ZINC000328972961	511960154	/nfs/dbraw/zinc/96/01/54/511960154.db2.gz	BZBHPGNBYQAXLO-HRCADAONSA-N	0	0	370.457	2.665	10	30		FFEERN
Cc1coc(-c2cccc(NC(=O)N3CC[C@H]4OCCN(C)[C@H]4C3)c2)n1	ZINC000329003793	511965216	/nfs/dbraw/zinc/96/52/16/511965216.db2.gz	YDRMPUSYSSRSEA-DLBZAZTESA-N	0	0	356.426	2.600	10	30		FFEERN
[O-]C(N[C@H]1CCO[C@@H]1c1cccnc1)=[NH+][C@@H]1CCCC[C@@H]1n1cccn1	ZINC000329076505	511978507	/nfs/dbraw/zinc/97/85/07/511978507.db2.gz	CGMBFPBDMVRPEQ-VSZNYVQBSA-N	0	0	355.442	2.796	10	30		FFEERN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H](C)[C@H]1COc2ccccc21	ZINC000329098114	511983434	/nfs/dbraw/zinc/98/34/34/511983434.db2.gz	YSFQTJXFVICPRT-KBEGMRNHSA-N	0	0	370.453	2.801	10	30		FFEERN
CC(C)[C@@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccc(F)cc1	ZINC000329152741	511994914	/nfs/dbraw/zinc/99/49/14/511994914.db2.gz	BKUFMTDKHUZYKP-YXJHDRRASA-N	0	0	368.474	2.598	10	30		FFEERN
Cn1nccc1[C@H]1[C@H](NC(=O)N[C@H]2CCCC(C)(C)C2)CC(=O)N1C1CC1	ZINC000329160810	511995702	/nfs/dbraw/zinc/99/57/02/511995702.db2.gz	DYCNIUKSDQMZQE-JCKWVBRZSA-N	0	0	373.501	2.697	10	30		FFEERN
CCC[C@@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccccc1	ZINC000329206391	512005238	/nfs/dbraw/zinc/00/52/38/512005238.db2.gz	YCMNJSROXHCAIB-GVDBMIGSSA-N	0	0	350.484	2.603	10	30		FFEERN
CO[C@]1(C)C[C@@H](NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)C1(C)C	ZINC000329277332	512018786	/nfs/dbraw/zinc/01/87/86/512018786.db2.gz	KSQFIEJIVWPCOX-OIPACUDHSA-N	0	0	352.500	2.873	10	30		FFEERN
O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21	ZINC000329387553	512037714	/nfs/dbraw/zinc/03/77/14/512037714.db2.gz	QZKHXHPSYDISDD-UJMXGEILSA-N	0	0	356.466	2.972	10	30		FFEERN
COc1ccc([C@H](OC)[C@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1	ZINC000329474131	512053179	/nfs/dbraw/zinc/05/31/79/512053179.db2.gz	BNYMAIGOZLUHJM-WBQNTZJQSA-N	0	0	361.442	2.736	10	30		FFEERN
C[C@H](NC(=O)N1CCO[C@@H](c2nccs2)C1)c1ccc2c(c1)OCO2	ZINC000329476053	512054258	/nfs/dbraw/zinc/05/42/58/512054258.db2.gz	PFUIUIHZKYAYAC-XHDPSFHLSA-N	0	0	361.423	2.920	10	30		FFEERN
CC[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1	ZINC000329497436	512058359	/nfs/dbraw/zinc/05/83/59/512058359.db2.gz	JJIBIZQFOTUXSQ-IDHHARJASA-N	0	0	373.501	2.651	10	30		FFEERN
COCCn1cc2c(n1)[C@H](NC(=O)N1CCOC[C@@H]1CC(C)C)CCC2	ZINC000329543207	512067244	/nfs/dbraw/zinc/06/72/44/512067244.db2.gz	YENGYVIREPAKQP-DLBZAZTESA-N	0	0	364.490	2.568	10	30		FFEERN
CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CCO1	ZINC000329622262	512078726	/nfs/dbraw/zinc/07/87/26/512078726.db2.gz	RTDRWVAMJFMTOD-LULLPPNCSA-N	0	0	367.534	2.679	10	30		FFEERN
CNC(=O)[C@@H]1CCCCN1C(=O)CC[C@@H]1CN(C(C)=O)c2ccccc21	ZINC000329634236	512079083	/nfs/dbraw/zinc/07/90/83/512079083.db2.gz	SZFHHAIBYGWDOH-QAPCUYQASA-N	0	0	357.454	2.884	10	30		FFEERN
O=C(N[C@H]1CCc2c1cccc2F)N[C@@H]1CCCN(c2cccnc2)C1=O	ZINC000329642135	512082034	/nfs/dbraw/zinc/08/20/34/512082034.db2.gz	IMQAPWZZYDLRTD-ZWKOTPCHSA-N	0	0	368.412	2.907	10	30		FFEERN
Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC[C@H](c3nc(C)c(C)s3)C1)CC2	ZINC000329756582	512093905	/nfs/dbraw/zinc/09/39/05/512093905.db2.gz	YRWAMPDUBFJMSI-LSDHHAIUSA-N	0	0	374.514	2.768	10	30		FFEERN
CC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1)c1nccs1	ZINC000329850628	512103818	/nfs/dbraw/zinc/10/38/18/512103818.db2.gz	QGPWSVHTYXOSQZ-KGLIPLIRSA-N	0	0	360.487	2.865	10	30		FFEERN
COc1ccc(C2(C(=O)N3CCN(C)[C@H](C#N)C3)CC3(CCC3)C2)cc1	ZINC000376007264	512612777	/nfs/dbraw/zinc/61/27/77/512612777.db2.gz	HPTVNEMVIPWFLQ-QGZVFWFLSA-N	0	0	353.466	2.563	10	30		FFEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000407958499	512975758	/nfs/dbraw/zinc/97/57/58/512975758.db2.gz	QRIYDRUCNJQGGL-XHSDSOJGSA-N	0	0	360.458	2.508	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H]3[C@H]3CCCO3)C2)n1	ZINC000408024331	512985604	/nfs/dbraw/zinc/98/56/04/512985604.db2.gz	ZMMKIHIAJXVUMN-GBESFXJTSA-N	0	0	368.481	2.648	10	30		FFEERN
CO[C@@]1(C)CCCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1	ZINC000408324948	513044183	/nfs/dbraw/zinc/04/41/83/513044183.db2.gz	TVLHDYZKAVTXFP-NQIIRXRSSA-N	0	0	370.497	2.896	10	30		FFEERN
CC(C)(C)OC(=O)N1CC(N[C@H](C#N)c2ccc(Br)o2)C1	ZINC000409440280	513103657	/nfs/dbraw/zinc/10/36/57/513103657.db2.gz	KIJYMGJKNLPFBO-SNVBAGLBSA-N	0	0	356.220	2.816	10	30		FFEERN
COC(=O)c1cc(C#N)c(I)cc1OC(F)F	ZINC000575385921	518208219	/nfs/dbraw/zinc/20/82/19/518208219.db2.gz	FZLVWDJAOKIPJR-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
COC(=O)c1ccc(I)c(OC(F)F)c1C#N	ZINC000575386353	518208597	/nfs/dbraw/zinc/20/85/97/518208597.db2.gz	QREBFJCPXQOFAN-UHFFFAOYSA-N	0	0	353.062	2.551	10	30		FFEERN
C=CCO[C@@H]1[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H](OC)[C@H]1OCC=C	ZINC000616587455	520069649	/nfs/dbraw/zinc/06/96/49/520069649.db2.gz	FMKYMGOFTWEBLP-MUJBESKKSA-N	0	0	362.422	2.614	10	30		FFEERN
CNC(=O)c1ccc([C@@H]2CCCCN2CC(=O)NCc2ccco2)n1C	ZINC000328628004	521859462	/nfs/dbraw/zinc/85/94/62/521859462.db2.gz	GTJPYXKYNUYRBV-INIZCTEOSA-N	0	0	358.442	2.661	10	30		FFEERN
COc1ccccc1CNC(=O)[C@@H](C)O/N=C/c1cccc([N+](=O)[O-])c1	ZINC000015332476	524472359	/nfs/dbraw/zinc/47/23/59/524472359.db2.gz	MIFJUTGXSIEGOD-AYPRBGQRSA-N	0	0	357.366	2.659	10	30		FFEERN
O=C(NCc1ccsc1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1	ZINC000328616792	527585156	/nfs/dbraw/zinc/58/51/56/527585156.db2.gz	CASGVGYKLAIVAV-MRXNPFEDSA-N	0	0	373.482	2.626	10	30		FFEERN
CCCC(=O)NCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1	ZINC000105762909	728508614	/nfs/dbraw/zinc/50/86/14/728508614.db2.gz	OAHUOVPUBNVVIB-AWEZNQCLSA-N	0	0	357.435	2.911	10	30		FFEERN
C#CCCCNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000172923877	729035177	/nfs/dbraw/zinc/03/51/77/729035177.db2.gz	NPRCSTIQMDTLEQ-OAHLLOKOSA-N	0	0	365.817	2.532	10	30		FFEERN
CCCCCCCS(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000195268321	729534109	/nfs/dbraw/zinc/53/41/09/729534109.db2.gz	QLDXARQVLFWWNJ-INIZCTEOSA-N	0	0	354.520	2.677	10	30		FFEERN
CS(=O)(=O)[C@@H]1CCCCN(C(=O)NC2C3CC4CC(C3)CC2C4)C1	ZINC000328622707	729794606	/nfs/dbraw/zinc/79/46/06/729794606.db2.gz	YIPDKAZNBFWGCF-OBYDGYHJSA-N	0	0	354.516	2.624	10	30		FFEERN
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCN(Cc2cccs2)CC1	ZINC000328735778	729794874	/nfs/dbraw/zinc/79/48/74/729794874.db2.gz	JFGVNEPBVAFINY-OAHLLOKOSA-N	0	0	362.499	2.821	10	30		FFEERN
CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCc3cncnc3C2)cs1	ZINC000329595357	729798100	/nfs/dbraw/zinc/79/81/00/729798100.db2.gz	BTSATJZVLNOFCK-UHFFFAOYSA-N	0	0	359.455	2.695	10	30		FFEERN
Cc1nnc2n1C[C@H](CNC(=O)NC[C@H]1CCCCC(F)(F)C1)CC2	ZINC000330163350	729800103	/nfs/dbraw/zinc/80/01/03/729800103.db2.gz	ATCXEEGDVMNGAO-KBPBESRZSA-N	0	0	355.433	2.868	10	30		FFEERN
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1	ZINC000330192401	729800193	/nfs/dbraw/zinc/80/01/93/729800193.db2.gz	XVQFXLRUVPWKSS-ZOBUZTSGSA-N	0	0	368.499	2.761	10	30		FFEERN
O=C(CON=C1CCOc2ccccc21)N1CCC[C@H](C(F)(F)F)C1	ZINC000588600415	845984042	/nfs/dbraw/zinc/98/40/42/845984042.db2.gz	DWNFLAZTCJQIQR-LBPRGKRZSA-N	0	0	356.344	2.991	10	30		FFEERN
O=C(CON=C1CCOc2ccccc21)N1CCC[C@@H](C(F)(F)F)C1	ZINC000588600413	845984615	/nfs/dbraw/zinc/98/46/15/845984615.db2.gz	DWNFLAZTCJQIQR-GFCCVEGCSA-N	0	0	356.344	2.991	10	30		FFEERN
Cc1cccnc1/C=C\C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1	ZINC000588455589	965226766	/nfs/dbraw/zinc/22/67/66/965226766.db2.gz	NFNPASVJUNTUJQ-ALCCZGGFSA-N	0	0	362.433	2.875	10	30		FFEERN
Cc1cnc([C@H](C)NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)o1	ZINC000329464653	967732193	/nfs/dbraw/zinc/73/21/93/967732193.db2.gz	VDEPAPZHVVPBRY-JSGCOSHPSA-N	0	0	371.393	2.825	10	30		FFEERN
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)N2CCn3ccnc3C2)C1	ZINC000329472501	967737603	/nfs/dbraw/zinc/73/76/03/967737603.db2.gz	ZLCVVQAZBMEKLG-MRXNPFEDSA-N	0	0	357.433	2.729	10	30		FFEERN
CC1(C)NC(=O)N(c2cccc(NC(=O)N[C@H]3CCC[C@H]3C#N)c2)C1=O	ZINC000329634254	967899769	/nfs/dbraw/zinc/89/97/69/967899769.db2.gz	SZOGHBNAHZTFSP-FZMZJTMJSA-N	0	0	355.398	2.553	10	30		FFEERN
COc1cccc([C@@H]2[C@H](C(=O)N[C@H]3CCC[C@H]3C#N)CC(=O)N2C2CC2)c1	ZINC000332809550	977671100	/nfs/dbraw/zinc/67/11/00/977671100.db2.gz	HYRSCENMEZBXOA-XBQLCILLSA-N	0	0	367.449	2.556	10	30		FFEERN
N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1	ZINC000332898466	977683745	/nfs/dbraw/zinc/68/37/45/977683745.db2.gz	NLCRBIFTQXMZGO-YJBOKZPZSA-N	0	0	374.448	2.630	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(C)c(F)c3)cc2C1=O	ZINC000012486805	1016488222	/nfs/dbraw/zinc/48/82/22/1016488222.db2.gz	RXARFOATKNAWBN-UHFFFAOYSA-N	0	0	352.365	2.846	10	30		FFEERN
CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cc1ccc(OCC#N)cc1	ZINC000110184925	1005911022	/nfs/dbraw/zinc/91/10/22/1005911022.db2.gz	WOGHEKHBSPOJQT-UHFFFAOYSA-N	0	0	360.417	2.976	10	30		FFEERN
CSc1ccc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000005163583	219656900	/nfs/dbraw/zinc/65/69/00/219656900.db2.gz	YSLAPZIQUADOFL-MHWRWJLKSA-N	0	0	365.436	2.938	10	30		FFEERN
COc1cccc(/C=N/NC(=S)N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2C=CC[C@@H]32)c1O	ZINC000013657724	220081768	/nfs/dbraw/zinc/08/17/68/220081768.db2.gz	QYKCAWDUGQXKDS-WEJCYBAESA-N	0	0	357.479	2.800	10	30		FFEERN
CCCC(=O)N[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000101565102	250078386	/nfs/dbraw/zinc/07/83/86/250078386.db2.gz	MGGZHYVHBJSLCQ-OAHLLOKOSA-N	0	0	362.861	2.531	10	30		FFEERN
Cc1nnc([C@@H](NC(=O)[C@H](C)Oc2ccccc2C#N)c2ccccc2)[nH]1	ZINC000103281251	250143508	/nfs/dbraw/zinc/14/35/08/250143508.db2.gz	KLNPCSGCVDGSFU-UGSOOPFHSA-N	0	0	361.405	2.658	10	30		FFEERN
CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000103478461	250155454	/nfs/dbraw/zinc/15/54/54/250155454.db2.gz	NJYRUMCIGVSAOJ-AWEZNQCLSA-N	0	0	372.860	2.641	10	30		FFEERN
CCc1noc([C@H](C)N2CCN(c3cc(C(C)=O)ccc3C#N)CC2)n1	ZINC000273161649	252235607	/nfs/dbraw/zinc/23/56/07/252235607.db2.gz	BRICNPYTMJNVRQ-ZDUSSCGKSA-N	0	0	353.426	2.589	10	30		FFEERN
C[C@@H]1CN([C@@H](CNc2nccnc2C#N)c2c(F)cccc2F)C[C@@H](C)O1	ZINC000301269949	258039116	/nfs/dbraw/zinc/03/91/16/258039116.db2.gz	HIWRPRNIIXNRJU-XNJGSVPQSA-N	0	0	373.407	2.889	10	30		FFEERN
COc1cncc(N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)n1	ZINC000301292542	258040922	/nfs/dbraw/zinc/04/09/22/258040922.db2.gz	OCMCGDHOHXHJHL-UHFFFAOYSA-N	0	0	363.343	2.702	10	30		FFEERN
CCOc1cccc(N2CCCN(c3ncccc3C#N)CC2)c1[N+](=O)[O-]	ZINC000302221745	258096614	/nfs/dbraw/zinc/09/66/14/258096614.db2.gz	MNCIFODRIDKTTG-UHFFFAOYSA-N	0	0	367.409	2.977	10	30		FFEERN
Cc1cc(NCCNc2ccc(C(F)(F)F)cc2C#N)n2ncnc2n1	ZINC000301616873	258059024	/nfs/dbraw/zinc/05/90/24/258059024.db2.gz	KCIVWDPZJBCTSO-UHFFFAOYSA-N	0	0	361.331	2.847	10	30		FFEERN
CCc1nnc(Oc2ccc(S(=O)(=O)N(C)C)cc2)c(C#N)c1CC	ZINC000301637185	258060053	/nfs/dbraw/zinc/06/00/53/258060053.db2.gz	XGMNLELJJHGCIF-UHFFFAOYSA-N	0	0	360.439	2.516	10	30		FFEERN
Cc1cc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c(C#N)c(C)n1	ZINC000301751528	258066045	/nfs/dbraw/zinc/06/60/45/258066045.db2.gz	BBVFSNKRRBCJMV-UHFFFAOYSA-N	0	0	352.413	2.980	10	30		FFEERN
N#Cc1ccc(C(F)(F)F)nc1NC1CCC(N2C(=O)CCC2=O)CC1	ZINC000301848891	258070660	/nfs/dbraw/zinc/07/06/60/258070660.db2.gz	OGQNYBBBOFFVOL-UHFFFAOYSA-N	0	0	366.343	2.844	10	30		FFEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H]4COCC[C@@H]43)C2)n1	ZINC000328779716	258120676	/nfs/dbraw/zinc/12/06/76/258120676.db2.gz	FAHUTQIRZDKRJW-FHWLQOOXSA-N	0	0	368.481	2.506	10	30		FFEERN
C[C@@H](Oc1ccc(O[C@@H](C)C(=O)/C=C/N(C)C)cc1)C(=O)/C=C\N(C)C	ZINC000100096692	222236311	/nfs/dbraw/zinc/23/63/11/222236311.db2.gz	OFEMPMXDFKBGNQ-CKMAFUPWSA-N	0	0	360.454	2.510	10	30		FFEERN
CC(=O)N1CCC(C(=O)NCC#Cc2ccccc2)(c2ccccc2)CC1	ZINC000105604520	222371812	/nfs/dbraw/zinc/37/18/12/222371812.db2.gz	IFRAWNGCLRFXHZ-UHFFFAOYSA-N	0	0	360.457	2.735	10	30		FFEERN
COC(=O)Cc1c(C#N)cc(I)cc1C(F)(F)F	ZINC000575392319	518209598	/nfs/dbraw/zinc/20/95/98/518209598.db2.gz	IEAUISKCEUGQBR-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
N#Cc1c(I)ccc(Br)c1[N+](=O)[O-]	ZINC000575692968	518249062	/nfs/dbraw/zinc/24/90/62/518249062.db2.gz	USIWFPSPTOGHSA-UHFFFAOYSA-N	0	0	352.913	2.834	10	30		FFEERN
CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1	ZINC000004948181	506409080	/nfs/dbraw/zinc/40/90/80/506409080.db2.gz	YZBHEOUDSIPQKC-RQZCQDPDSA-N	0	0	368.802	2.732	10	30		FFEERN
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCS1	ZINC000171711810	510323832	/nfs/dbraw/zinc/32/38/32/510323832.db2.gz	MBDIZDMLGQIKBL-VIFPVBQESA-N	0	0	350.387	2.703	10	30		FFEERN
COC(=O)c1ccc(C=NN2C(=S)N=NC2c2ccc(OC)cc2)cc1	ZINC000004679479	506387901	/nfs/dbraw/zinc/38/79/01/506387901.db2.gz	OUCNLLBSPQIOQR-ODLFYWEKSA-N	0	0	368.418	2.911	10	30		FFEERN
C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1cccc(C#N)c1	ZINC000005035323	506417399	/nfs/dbraw/zinc/41/73/99/506417399.db2.gz	QIEJBQSNKXJHJX-GFCCVEGCSA-N	0	0	350.407	2.653	10	30		FFEERN
N#CC1(NC(=O)COc2ccc(I)cc2)CCCC1	ZINC000005216672	506428764	/nfs/dbraw/zinc/42/87/64/506428764.db2.gz	WBAUSPOZBIZAII-UHFFFAOYSA-N	0	0	370.190	2.623	10	30		FFEERN
C/C(=N/NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1F	ZINC000038374633	506436196	/nfs/dbraw/zinc/43/61/96/506436196.db2.gz	PPGWDRHVHVZJRY-BOPFTXTBSA-N	0	0	351.359	2.745	10	30		FFEERN
CCOC(=O)c1ccc2c(c1)nc(SCC(=O)N(C)CCC#N)n2CC	ZINC000008011557	506612453	/nfs/dbraw/zinc/61/24/53/506612453.db2.gz	FGTGIMKMEQHOQB-UHFFFAOYSA-N	0	0	374.466	2.697	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)N3CCc4sccc4C3)cc2C1=O	ZINC000010923813	506760164	/nfs/dbraw/zinc/76/01/64/506760164.db2.gz	FZIAOEYBJGSNLU-UHFFFAOYSA-N	0	0	352.415	2.729	10	30		FFEERN
N#Cc1cccc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)c1	ZINC000045214660	506935232	/nfs/dbraw/zinc/93/52/32/506935232.db2.gz	QVWAXQQGXXDFEJ-UHFFFAOYSA-N	0	0	353.447	2.788	10	30		FFEERN
C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000015198365	507024832	/nfs/dbraw/zinc/02/48/32/507024832.db2.gz	MSEJVZSPTJOELF-ZIAGYGMSSA-N	0	0	372.446	2.606	10	30		FFEERN
N#Cc1cn2c(nc3ccccc32)nc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000048524436	507534845	/nfs/dbraw/zinc/53/48/45/507534845.db2.gz	GUUPWWTVYYWPCR-UHFFFAOYSA-N	0	0	358.317	2.915	10	30		FFEERN
CCNC(=S)N/N=C/c1cccc(OC(=O)c2ccc(OC)cc2)c1	ZINC000048572816	507538895	/nfs/dbraw/zinc/53/88/95/507538895.db2.gz	TYHLIILJXHPXFV-UDWIEESQSA-N	0	0	357.435	2.732	10	30		FFEERN
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)cc1Cl	ZINC000048764431	507562064	/nfs/dbraw/zinc/56/20/64/507562064.db2.gz	UUYZHKDVDKWYHC-OAHLLOKOSA-N	0	0	355.781	2.790	10	30		FFEERN
C[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N[C@@H](C)c1ccccc1	ZINC000072614719	507831105	/nfs/dbraw/zinc/83/11/05/507831105.db2.gz	RANBITIAEOPPIS-NWDGAFQWSA-N	0	0	351.435	2.765	10	30		FFEERN
C=CCN1C(=O)c2ccc(C(=O)Nc3ccnn3C(C)(C)C)cc2C1=O	ZINC000107124398	507836054	/nfs/dbraw/zinc/83/60/54/507836054.db2.gz	VREBBFMHGIGQTM-UHFFFAOYSA-N	0	0	352.394	2.672	10	30		FFEERN
N#CCOc1cccc(CC(=O)NC2CCN(c3cccs3)CC2)c1	ZINC000089776062	507865526	/nfs/dbraw/zinc/86/55/26/507865526.db2.gz	KAMJVMVDJMGLRY-UHFFFAOYSA-N	0	0	355.463	2.978	10	30		FFEERN
CCc1nc(C2(NC(=O)Cc3cccc(OCC#N)c3)CCCC2)no1	ZINC000089822229	507870940	/nfs/dbraw/zinc/87/09/40/507870940.db2.gz	CUJCOGCODBQNFY-UHFFFAOYSA-N	0	0	354.410	2.663	10	30		FFEERN
C=CCN(Cc1ccccc1F)C(=O)CNC(=O)c1ccc(OC)cc1	ZINC000108663703	507910403	/nfs/dbraw/zinc/91/04/03/507910403.db2.gz	SZENFUDGYPQFCQ-UHFFFAOYSA-N	0	0	356.397	2.779	10	30		FFEERN
Cc1c([C@@H](C)NS(=O)(=O)CCCCC#N)cnn1-c1ccc(F)cc1	ZINC000109337902	507955672	/nfs/dbraw/zinc/95/56/72/507955672.db2.gz	OAVPFMYCVXVYTK-CYBMUJFWSA-N	0	0	364.446	2.994	10	30		FFEERN
CCn1cnnc1[C@H]1CCCN(C(=O)CSc2ccc(C#N)cc2)C1	ZINC000110752246	508045438	/nfs/dbraw/zinc/04/54/38/508045438.db2.gz	XCSQEDYPIOSWJC-HNNXBMFYSA-N	0	0	355.467	2.668	10	30		FFEERN
C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	ZINC000076098527	508158750	/nfs/dbraw/zinc/15/87/50/508158750.db2.gz	HDZGMFBXJJNDKK-LIRRHRJNSA-N	0	0	363.417	2.795	10	30		FFEERN
C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000081578331	508192900	/nfs/dbraw/zinc/19/29/00/508192900.db2.gz	NYRXEYGYVVGXOX-NSHDSACASA-N	0	0	351.834	2.812	10	30		FFEERN
COc1ccc(CN[C@@H]2CCCn3nc(C)nc32)cc1OCCCC#N	ZINC000083475684	508246137	/nfs/dbraw/zinc/24/61/37/508246137.db2.gz	SIVSKQIXQVAVKB-MRXNPFEDSA-N	0	0	355.442	2.902	10	30		FFEERN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCn2nc(C)nc21	ZINC000083750021	508256989	/nfs/dbraw/zinc/25/69/89/508256989.db2.gz	CQMKUUSOVDFFLB-INIZCTEOSA-N	0	0	370.413	2.727	10	30		FFEERN
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N(CCC#N)Cc2cccnc2)C1	ZINC000076964043	508268472	/nfs/dbraw/zinc/26/84/72/508268472.db2.gz	IOGDSPHMZCNLAM-MRXNPFEDSA-N	0	0	358.442	2.581	10	30		FFEERN
COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2C)cc1OC	ZINC000077386042	508308636	/nfs/dbraw/zinc/30/86/36/508308636.db2.gz	KVVMHUYECQAFCR-CYBMUJFWSA-N	0	0	360.435	2.923	10	30		FFEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)CCCCOc1cccc(C#N)c1	ZINC000088198294	508356890	/nfs/dbraw/zinc/35/68/90/508356890.db2.gz	KJGWAVSKAXFSEK-QGZVFWFLSA-N	0	0	367.453	2.913	10	30		FFEERN
CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cccc(-c2ncon2)c1	ZINC000133506299	508408717	/nfs/dbraw/zinc/40/87/17/508408717.db2.gz	MURYTZKTDQLOSU-UHFFFAOYSA-N	0	0	369.425	2.854	10	30		FFEERN
Cn1ccnc1CC1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1	ZINC000121927213	508450629	/nfs/dbraw/zinc/45/06/29/508450629.db2.gz	JPXALEBVIJGPQN-QPJJXVBHSA-N	0	0	364.449	2.817	10	30		FFEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccco2)c1	ZINC000116210603	508486780	/nfs/dbraw/zinc/48/67/80/508486780.db2.gz	BLSQJSXWHFKPCM-INIZCTEOSA-N	0	0	360.435	2.721	10	30		FFEERN
CCOCCN1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000117437024	508598435	/nfs/dbraw/zinc/59/84/35/508598435.db2.gz	XZCWZMBSROMDOR-CYBMUJFWSA-N	0	0	350.850	2.786	10	30		FFEERN
N#Cc1cc(NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)ccc1F	ZINC000118818470	508678987	/nfs/dbraw/zinc/67/89/87/508678987.db2.gz	JLRJKCMIKUUWIT-IBGZPJMESA-N	0	0	368.412	2.580	10	30		FFEERN
CCc1nnc([C@H]2CN(Cc3cccc(OCCCC#N)c3)CCO2)[nH]1	ZINC000129241845	508702527	/nfs/dbraw/zinc/70/25/27/508702527.db2.gz	MFSYYUWGJIXTBJ-QGZVFWFLSA-N	0	0	355.442	2.623	10	30		FFEERN
N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000123834505	508745440	/nfs/dbraw/zinc/74/54/40/508745440.db2.gz	FICKKOXUTYULCB-ZWKOTPCHSA-N	0	0	356.447	2.835	10	30		FFEERN
C[C@@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1)c1ccccc1-n1cccn1	ZINC000132692389	509063239	/nfs/dbraw/zinc/06/32/39/509063239.db2.gz	IZVOBPSTKULTTB-OAHLLOKOSA-N	0	0	373.416	2.754	10	30		FFEERN
CN(C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1	ZINC000156245717	509149144	/nfs/dbraw/zinc/14/91/44/509149144.db2.gz	AXKCTHCWXZFEQH-MRXNPFEDSA-N	0	0	363.870	2.793	10	30		FFEERN
C#CCCOc1ccc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)cc1	ZINC000121305034	509164814	/nfs/dbraw/zinc/16/48/14/509164814.db2.gz	ULBHNGBTJRICFN-INIZCTEOSA-N	0	0	354.454	2.659	10	30		FFEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(Cc1ccc(C#N)cc1)C(C)C	ZINC000175880901	509196023	/nfs/dbraw/zinc/19/60/23/509196023.db2.gz	XLCDKZUUJZPIJH-KRWDZBQOSA-N	0	0	352.442	2.913	10	30		FFEERN
C=C(C)[C@H](NC(=O)N1CCC[C@H](NC(C)=O)C1)c1ccc(F)c(F)c1	ZINC000185482879	509198659	/nfs/dbraw/zinc/19/86/59/509198659.db2.gz	MZKSUGPRGRZTPO-YOEHRIQHSA-N	0	0	351.397	2.892	10	30		FFEERN
N#CCCCOc1cccnc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000188689880	509214254	/nfs/dbraw/zinc/21/42/54/509214254.db2.gz	PHHCDNXYRHUOJP-CYBMUJFWSA-N	0	0	355.402	2.641	10	30		FFEERN
CCOC(=O)c1ncc2c(ccn2Cc2ccc(F)cc2)c1C#CCO	ZINC000204588782	509235533	/nfs/dbraw/zinc/23/55/33/509235533.db2.gz	RAALSQLYTFRBIS-UHFFFAOYSA-N	0	0	352.365	2.744	10	30		FFEERN
CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC000192158470	509379116	/nfs/dbraw/zinc/37/91/16/509379116.db2.gz	RVMRSEQLTQOPBN-SFHVURJKSA-N	0	0	371.481	2.826	10	30		FFEERN
N#Cc1ccc(OC[C@@H](O)CN2CC3(CCOCC3)c3ccccc32)cc1	ZINC000192277463	509439789	/nfs/dbraw/zinc/43/97/89/509439789.db2.gz	NOSOUJIRKWNQBG-SFHVURJKSA-N	0	0	364.445	2.866	10	30		FFEERN
N#CCSc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1	ZINC000164300184	509487651	/nfs/dbraw/zinc/48/76/51/509487651.db2.gz	RWTYXJDQGYVDMM-CRAIPNDOSA-N	0	0	369.490	2.918	10	30		FFEERN
C#CCOc1ccc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cc1	ZINC000176435483	509507595	/nfs/dbraw/zinc/50/75/95/509507595.db2.gz	BHFWFCZYCURJET-SFHVURJKSA-N	0	0	364.449	2.994	10	30		FFEERN
C=CC[C@H](C(=O)N1CCN([C@H](C)c2nc(C)no2)CC1)c1ccccc1	ZINC000189401080	509558119	/nfs/dbraw/zinc/55/81/19/509558119.db2.gz	MGROPXPNGRTCKW-QAPCUYQASA-N	0	0	354.454	2.943	10	30		FFEERN
C=CCOc1cccc(NC(=O)N2CCO[C@@H](c3nnc(CC)[nH]3)C2)c1	ZINC000165170910	509559980	/nfs/dbraw/zinc/55/99/80/509559980.db2.gz	XZQQZBXLVNBTOW-OAHLLOKOSA-N	0	0	357.414	2.537	10	30		FFEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1	ZINC000180161752	509784965	/nfs/dbraw/zinc/78/49/65/509784965.db2.gz	ATTFPNLUXFNPSO-CJNGLKHVSA-N	0	0	354.859	2.527	10	30		FFEERN
Cc1nnc(N=NCc2ccc(-c3ccc(Br)cc3)o2)n1N	ZINC000254311834	509905363	/nfs/dbraw/zinc/90/53/63/509905363.db2.gz	YZNZXSXYYZMSLQ-UHFFFAOYSA-N	0	0	361.203	2.769	10	30		FFEERN
Cc1nccn1C[C@H]1CCCN1C(=O)CSCc1ccc(C#N)cc1	ZINC000177194669	509931166	/nfs/dbraw/zinc/93/11/66/509931166.db2.gz	FIEJNHHQGSSZBO-GOSISDBHSA-N	0	0	354.479	2.988	10	30		FFEERN
COc1cc(O)c(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1OC	ZINC000245538250	509992358	/nfs/dbraw/zinc/99/23/58/509992358.db2.gz	JNMXDNQWWYWCHR-SFHVURJKSA-N	0	0	367.449	2.619	10	30		FFEERN
N#Cc1ccc(NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)cc1	ZINC000174310002	510051672	/nfs/dbraw/zinc/05/16/72/510051672.db2.gz	UQVQHEVWBQHBET-UHFFFAOYSA-N	0	0	366.425	2.558	10	30		FFEERN
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1	ZINC000183997357	510079707	/nfs/dbraw/zinc/07/97/07/510079707.db2.gz	ZPOIRRSHGSXUCC-UTKZUKDTSA-N	0	0	369.465	2.811	10	30		FFEERN
N#Cc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1	ZINC000177592538	510149699	/nfs/dbraw/zinc/14/96/99/510149699.db2.gz	RHPDBFHNHIJRPJ-UHFFFAOYSA-N	0	0	352.369	2.583	10	30		FFEERN
N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCCn4ncnc43)c2)cc1	ZINC000177595434	510151734	/nfs/dbraw/zinc/15/17/34/510151734.db2.gz	YWJVHTHYBHPHHJ-IBGZPJMESA-N	0	0	373.416	2.994	10	30		FFEERN
C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1	ZINC000177667493	510190318	/nfs/dbraw/zinc/19/03/18/510190318.db2.gz	YWQMRNQWHKSMSI-KRWDZBQOSA-N	0	0	368.437	2.559	10	30		FFEERN
C=CCn1c(C)cc(C(=O)CN2CCO[C@H](c3cnn(CC)c3)C2)c1C	ZINC000190811220	510356179	/nfs/dbraw/zinc/35/61/79/510356179.db2.gz	BLOQARWQUUPLFZ-FQEVSTJZSA-N	0	0	356.470	2.764	10	30		FFEERN
COc1cc(/C=C/C(=O)N[C@@H]2COc3ccccc32)ccc1OCC#N	ZINC000194859411	510560003	/nfs/dbraw/zinc/56/00/03/510560003.db2.gz	QWIXDDDUSJOFHU-MNDMWVCDSA-N	0	0	350.374	2.861	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCc3ccc(C#N)cc3F)C2)n1	ZINC000172134566	510560452	/nfs/dbraw/zinc/56/04/52/510560452.db2.gz	BSJRSYQLWRALAP-MRXNPFEDSA-N	0	0	370.432	2.528	10	30		FFEERN
C=CC[C@@H](C)[C@H](C)Nc1cccc(S(=O)(=O)N2CCC(O)CC2)c1	ZINC000188093639	510589004	/nfs/dbraw/zinc/58/90/04/510589004.db2.gz	NKPIVUBGQJHURS-CABCVRRESA-N	0	0	352.500	2.845	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1CCN(C)c2ccccc21	ZINC000178446545	510608722	/nfs/dbraw/zinc/60/87/22/510608722.db2.gz	WUSPNTMPUYTMAC-MRXNPFEDSA-N	0	0	362.433	2.545	10	30		FFEERN
N#Cc1ccccc1NC(=O)CCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000246707019	510627053	/nfs/dbraw/zinc/62/70/53/510627053.db2.gz	NGIBGEQAOMMNMM-BEFAXECRSA-N	0	0	371.387	2.973	10	30		FFEERN
COc1cc(OC)cc([C@H]2CCN(C(=O)COc3ccccc3C#N)C2)c1	ZINC000175414582	510635007	/nfs/dbraw/zinc/63/50/07/510635007.db2.gz	WEIWEHQRGGIXGA-INIZCTEOSA-N	0	0	366.417	2.970	10	30		FFEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H](c2nccs2)C1	ZINC000178515861	510641560	/nfs/dbraw/zinc/64/15/60/510641560.db2.gz	IVJRFYHBZMOVJI-CQSZACIVSA-N	0	0	354.435	2.668	10	30		FFEERN
C#CCC(C)(C)C(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000191583834	510737312	/nfs/dbraw/zinc/73/73/12/510737312.db2.gz	TXRSSSWUWHTZOL-MRXNPFEDSA-N	0	0	350.503	2.691	10	30		FFEERN
C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000185361804	510823017	/nfs/dbraw/zinc/82/30/17/510823017.db2.gz	XJQNRZAGGBPSMH-CQSZACIVSA-N	0	0	370.453	2.720	10	30		FFEERN
Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H](C)C2	ZINC000182313531	510848852	/nfs/dbraw/zinc/84/88/52/510848852.db2.gz	XAGJFIMCOHFQMK-KZULUSFZSA-N	0	0	351.381	2.994	10	30		FFEERN
Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000247813237	510870997	/nfs/dbraw/zinc/87/09/97/510870997.db2.gz	VNJXLVZWOWLIGD-OALUTQOASA-N	0	0	363.465	2.851	10	30		FFEERN
C[C@@H]1C(=O)NCCCN1CC(=O)NCC1(c2ccccc2)CCOCC1	ZINC000329934569	510881816	/nfs/dbraw/zinc/88/18/16/510881816.db2.gz	JWRXSEDTHOLCAG-MRXNPFEDSA-N	0	0	359.470	2.742	10	30		FFEERN
O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1CCCc2cccnc21	ZINC000329970518	510890217	/nfs/dbraw/zinc/89/02/17/510890217.db2.gz	XXEPHUFGGYMJFT-HRCADAONSA-N	0	0	355.417	2.865	10	30		FFEERN
C[C@@H]1C(=O)NCCCN1C(=O)C1CCN(C(=O)Nc2ccccc2)CC1	ZINC000329982590	510894207	/nfs/dbraw/zinc/89/42/07/510894207.db2.gz	OYVRXUCCIDSZOV-CQSZACIVSA-N	0	0	358.442	2.521	10	30		FFEERN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cnc3c(c2)CCCC3)C1	ZINC000330194840	510935117	/nfs/dbraw/zinc/93/51/17/510935117.db2.gz	BHXRMPQIAJXJHR-ZBFHGGJFSA-N	0	0	357.414	2.659	10	30		FFEERN
C[C@H]1OCC[C@H]1NC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1	ZINC000330251823	510948275	/nfs/dbraw/zinc/94/82/75/510948275.db2.gz	HXUXYUJTMJXRIG-JHJVBQTASA-N	0	0	353.488	2.905	10	30		FFEERN
Cc1cccc(C(=O)N[C@H](C(=O)N2CC[S@](=O)C[C@@H](C)C2)C(C)C)c1	ZINC000330341670	510969692	/nfs/dbraw/zinc/96/96/92/510969692.db2.gz	ZOOOCIFLMZYARY-RTNKVPBISA-N	0	0	364.511	2.551	10	30		FFEERN
C[C@H](C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)N1CCc2ccccc2C1	ZINC000330339586	510969727	/nfs/dbraw/zinc/96/97/27/510969727.db2.gz	WVGMXSAAHFBLAE-OXFYSEKESA-N	0	0	368.481	2.901	10	30		FFEERN
C=CCn1c(Sc2ccc([N+](=O)[O-])c(C#N)n2)nc2sccc2c1=O	ZINC000302764993	511714671	/nfs/dbraw/zinc/71/46/71/511714671.db2.gz	ZGQRYGAIBQKJQC-UHFFFAOYSA-N	0	0	371.403	2.970	10	30		FFEERN
Cc1csc([C@H](C)CNC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)n1	ZINC000328598625	511889543	/nfs/dbraw/zinc/88/95/43/511889543.db2.gz	BHFZBSOZRDBMLH-YUELXQCFSA-N	0	0	364.515	2.850	10	30		FFEERN
O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)N[C@@H]1CCCC[C@@H]1n1cccn1	ZINC000328601452	511890376	/nfs/dbraw/zinc/89/03/76/511890376.db2.gz	FNBSUMMQZGYSPH-XDNAFOTISA-N	0	0	373.501	2.662	10	30		FFEERN
COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)N[C@H]1CCc3nc(C)nn3C1)CCO2	ZINC000328603344	511890846	/nfs/dbraw/zinc/89/08/46/511890846.db2.gz	FTASJMXVTNUKOG-GQWAEJPESA-N	0	0	368.437	2.607	10	30		FFEERN
CC(=O)N[C@]1(c2noc(C)n2)CCN(c2nc3ccccc3nc2C)C1	ZINC000328613139	511893574	/nfs/dbraw/zinc/89/35/74/511893574.db2.gz	QWEYBGIGJFCRNW-GOSISDBHSA-N	0	0	352.398	2.712	10	30		FFEERN
Cc1n[nH]cc1CNC(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1	ZINC000328637800	511903150	/nfs/dbraw/zinc/90/31/50/511903150.db2.gz	OVLUWSLYVMSPRQ-MRXNPFEDSA-N	0	0	371.489	2.560	10	30		FFEERN
C[C@H](C(=O)N1CCCCCC1)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000328689280	511915506	/nfs/dbraw/zinc/91/55/06/511915506.db2.gz	QHRSAOFMZQIKEF-VWKPWSFCSA-N	0	0	366.465	2.772	10	30		FFEERN
CN1CCO[C@H](CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)C1	ZINC000328744041	511924727	/nfs/dbraw/zinc/92/47/27/511924727.db2.gz	OQNFPLVQFIYHPN-VQBCORBOSA-N	0	0	363.502	2.837	10	30		FFEERN
O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1CC[C@@H](CCO)C1	ZINC000328799362	511932917	/nfs/dbraw/zinc/93/29/17/511932917.db2.gz	HEGOVWBOVORIRW-HNNXBMFYSA-N	0	0	352.438	2.852	10	30		FFEERN
Cc1ccc(CNC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c(O[C@@H]2CCOC2)c1	ZINC000328813406	511935518	/nfs/dbraw/zinc/93/55/18/511935518.db2.gz	BTVILCFSOVLUGH-ZHALLVOQSA-N	0	0	360.454	2.734	10	30		FFEERN
C[C@H](NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)c1ccc2c(c1)OCO2	ZINC000328840465	511938736	/nfs/dbraw/zinc/93/87/36/511938736.db2.gz	OWFMNSZTORPLKG-AAEUAGOBSA-N	0	0	351.424	2.648	10	30		FFEERN
CN1CC[C@H](NC(=O)N[C@@H]2CCCNC2=O)[C@H]1c1ccc(Cl)c(F)c1	ZINC000328847017	511940323	/nfs/dbraw/zinc/94/03/23/511940323.db2.gz	QQYJVCIXEGRKHN-RRFJBIMHSA-N	0	0	368.840	2.847	10	30		FFEERN
COc1ccc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cn1	ZINC000329152233	511993498	/nfs/dbraw/zinc/99/34/98/511993498.db2.gz	ANZXZUQJTQKSCD-SIXWZSSISA-N	0	0	373.453	2.668	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C1CCN(CC(F)(F)F)CC1	ZINC000329189644	512001150	/nfs/dbraw/zinc/00/11/50/512001150.db2.gz	PUNJGXXRUJAGSD-DZGCQCFKSA-N	0	0	374.407	2.729	10	30		FFEERN
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2C[C@@H]3CCCC[C@H]3C2)on1	ZINC000329251576	512014275	/nfs/dbraw/zinc/01/42/75/512014275.db2.gz	UXUNGUZANXGNPZ-QAETUUGQSA-N	0	0	364.465	2.931	10	30		FFEERN
O=C(Nc1ccccc1C(=O)N1CCCCC1)N1CCc2cncnc2C1	ZINC000329281059	512018378	/nfs/dbraw/zinc/01/83/78/512018378.db2.gz	MJHNGDUJAULWRI-UHFFFAOYSA-N	0	0	365.437	2.707	10	30		FFEERN
Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CCO2)no1	ZINC000329320491	512026537	/nfs/dbraw/zinc/02/65/37/512026537.db2.gz	IWTGANRSUDPIIV-ZBFHGGJFSA-N	0	0	372.425	2.968	10	30		FFEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CNC(=O)C3CCCCC3)C2)n1	ZINC000329340645	512030590	/nfs/dbraw/zinc/03/05/90/512030590.db2.gz	RRPMOHYPSVJGRD-MRXNPFEDSA-N	0	0	361.490	2.670	10	30		FFEERN
Cc1cccc([C@H]2CCCCN2C(=O)N[C@H]2COC[C@H]2n2ccnn2)c1C	ZINC000329390246	512038606	/nfs/dbraw/zinc/03/86/06/512038606.db2.gz	SEWUGGHFPVUHSX-IPMKNSEASA-N	0	0	369.469	2.976	10	30		FFEERN
CC(=O)N1C[C@H](CCC(=O)N[C@H]2CCN(C(C)C)C2=O)c2ccccc21	ZINC000329612193	512077142	/nfs/dbraw/zinc/07/71/42/512077142.db2.gz	KAKFGCCARXCZCR-RDJZCZTQSA-N	0	0	357.454	2.883	10	30		FFEERN
CC(=O)N1C[C@H](CCC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c2ccccc21	ZINC000329643774	512081973	/nfs/dbraw/zinc/08/19/73/512081973.db2.gz	YYUHQRCUTDIYHT-GJZGRUSLSA-N	0	0	355.438	2.637	10	30		FFEERN
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000329751685	512093168	/nfs/dbraw/zinc/09/31/68/512093168.db2.gz	VUQFZYMARCXDSS-YVUVUWROSA-N	0	0	358.486	2.970	10	30		FFEERN
CC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1)c1nccs1	ZINC000329850626	512103757	/nfs/dbraw/zinc/10/37/57/512103757.db2.gz	QGPWSVHTYXOSQZ-KBPBESRZSA-N	0	0	360.487	2.865	10	30		FFEERN
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329854680	512104318	/nfs/dbraw/zinc/10/43/18/512104318.db2.gz	WREUJUSFXOIQGJ-BPQIPLTHSA-N	0	0	368.437	2.633	10	30		FFEERN
N#Cc1nc(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)ccc1C(F)(F)F	ZINC000407953394	512974321	/nfs/dbraw/zinc/97/43/21/512974321.db2.gz	BDQCIGQWNDURRF-ABAIWWIYSA-N	0	0	364.371	2.952	10	30		FFEERN
N#Cc1ccc(NC(=O)N2CCC[C@]3(CNC(=O)C3)C2)cc1C(F)(F)F	ZINC000408260199	513033246	/nfs/dbraw/zinc/03/32/46/513033246.db2.gz	UCGIEMLNRIVZGJ-INIZCTEOSA-N	0	0	366.343	2.711	10	30		FFEERN
CCOC(=O)c1cc(I)cc(C#N)c1OC(F)F	ZINC000575386389	518208558	/nfs/dbraw/zinc/20/85/58/518208558.db2.gz	SVWQUIBTVYJDQW-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
CCOC(=O)c1cc(I)c(OC(F)F)cc1C#N	ZINC000575386573	518208608	/nfs/dbraw/zinc/20/86/08/518208608.db2.gz	ZKVIBJZRRIJRRD-UHFFFAOYSA-N	0	0	367.089	2.941	10	30		FFEERN
COC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1I	ZINC000575393079	518210040	/nfs/dbraw/zinc/21/00/40/518210040.db2.gz	YHIMJJMUHIVYKT-UHFFFAOYSA-N	0	0	369.080	2.897	10	30		FFEERN
N#CCc1cc(OC(F)F)c(I)cc1[N+](=O)[O-]	ZINC000575665532	518245145	/nfs/dbraw/zinc/24/51/45/518245145.db2.gz	FATRKSVVQHRIQE-UHFFFAOYSA-N	0	0	354.050	2.867	10	30		FFEERN
C=CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)COC)cc1	ZINC000037556972	518901237	/nfs/dbraw/zinc/90/12/37/518901237.db2.gz	HTIQUWCJADOXTQ-UHFFFAOYSA-N	0	0	370.424	2.850	10	30		FFEERN
CCOc1ccc(/C=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000100220206	520857118	/nfs/dbraw/zinc/85/71/18/520857118.db2.gz	VSQCCMPPFPKXEV-HKWRFOASSA-N	0	0	374.462	2.857	10	30		FFEERN