smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])C1	ZINC000702806337	884229807	/nfs/dbraw/zinc/22/98/07/884229807.db2.gz	KUPJLBGBBBWGOJ-NWDGAFQWSA-N	0	0	363.374	1.501	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@H](O)C1	ZINC000702806341	884230177	/nfs/dbraw/zinc/23/01/77/884230177.db2.gz	KUPJLBGBBBWGOJ-VXGBXAGGSA-N	0	0	363.374	1.501	10	30		FDEERN
COC(=O)CN1C(=O)C[C@@H](C(N)=O)S/C1=N\c1cccc(Cl)c1	ZINC000006179500	204239234	/nfs/dbraw/zinc/23/92/34/204239234.db2.gz	PEIUXPHHKNINHQ-PXAAABLISA-N	0	0	355.803	1.320	10	30		FDEERN
CCN(C[C@@H](C)/C(N)=N/O)S(=O)(=O)c1ccc(Br)s1	ZINC000042446561	205997903	/nfs/dbraw/zinc/99/79/03/205997903.db2.gz	TUWACGLDFBHSCE-SSDOTTSWSA-N	0	0	370.294	1.904	10	30		FDEERN
C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)c1nnc2n1CCCC2	ZINC000132218393	173225873	/nfs/dbraw/zinc/22/58/73/173225873.db2.gz	HJZQLRLNQVZRFF-CYBMUJFWSA-N	0	0	354.414	1.925	10	30		FDEERN
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1nnc2n1CCCC2	ZINC000165561627	173816572	/nfs/dbraw/zinc/81/65/72/173816572.db2.gz	MWVFWNDJWIRFBK-JTQLQIEISA-N	0	0	372.816	1.955	10	30		FDEERN
C[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000175821019	174030210	/nfs/dbraw/zinc/03/02/10/174030210.db2.gz	GGWSHWNADLXWFF-QAPCUYQASA-N	0	0	358.442	1.299	10	30		FDEERN
Cc1nc(C[C@@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)no1	ZINC000176224034	174059119	/nfs/dbraw/zinc/05/91/19/174059119.db2.gz	RDVJTLXJCXGXEZ-INIZCTEOSA-N	0	0	374.466	1.978	10	30		FDEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)n1	ZINC000177648882	174147841	/nfs/dbraw/zinc/14/78/41/174147841.db2.gz	XWAPBSULITWPEK-MRXNPFEDSA-N	0	0	366.425	1.644	10	30		FDEERN
C[C@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCCC2	ZINC000173624554	258305324	/nfs/dbraw/zinc/30/53/24/258305324.db2.gz	JXBPADRFPFBNIY-XJKSGUPXSA-N	0	0	350.426	1.942	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1	ZINC000177801764	258326649	/nfs/dbraw/zinc/32/66/49/258326649.db2.gz	LUXIIPHOKYMPDY-QGZVFWFLSA-N	0	0	372.450	1.361	10	30		FDEERN
N#Cc1ncn(CC(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)n1	ZINC000330225959	259134419	/nfs/dbraw/zinc/13/44/19/259134419.db2.gz	OMMKLFYOPYUURD-KRWDZBQOSA-N	0	0	350.382	1.774	10	30		FDEERN
N#Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO	ZINC000367836197	260098307	/nfs/dbraw/zinc/09/83/07/260098307.db2.gz	RSIMVHXBDSTPKI-IUCAKERBSA-N	0	0	363.208	1.414	10	30		FDEERN
N#Cc1cccc(C(=O)N2C[C@H]3OCCN(c4ncc(F)cn4)[C@H]3C2)c1	ZINC000503718654	263669719	/nfs/dbraw/zinc/66/97/19/263669719.db2.gz	IIGBVMDYWJHJRI-JKSUJKDBSA-N	0	0	353.357	1.217	10	30		FDEERN
N#Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C42CC2)c([N+](=O)[O-])c1	ZINC000005006271	518324849	/nfs/dbraw/zinc/32/48/49/518324849.db2.gz	GLDDWSQVBNYEPI-SZUXRHDZSA-N	0	0	362.345	1.998	10	30		FDEERN
CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(O)cc1	ZINC000012579681	518621552	/nfs/dbraw/zinc/62/15/52/518621552.db2.gz	XMCOLBOZDHHJLZ-CXUHLZMHSA-N	0	0	350.356	1.784	10	30		FDEERN
COc1ccc(N2C[C@H](C(=O)N(C)C3(C#N)CCC3)CC2=O)cc1OC	ZINC000067683304	523540638	/nfs/dbraw/zinc/54/06/38/523540638.db2.gz	WCGZARZOOQRALW-CYBMUJFWSA-N	0	0	357.410	1.961	10	30		FDEERN
CC(C)(C)n1cc(CN2CCN(C(=O)C3(C#N)CCOCC3)CC2)cn1	ZINC000172111405	524119568	/nfs/dbraw/zinc/11/95/68/524119568.db2.gz	JNMHVQMQEQVOSE-UHFFFAOYSA-N	0	0	359.474	1.603	10	30		FDEERN
N#CCOc1ccc(CC(=O)N2CCCN(c3cccnn3)CC2)cc1	ZINC000110727262	524130078	/nfs/dbraw/zinc/13/00/78/524130078.db2.gz	NQCMTBFASPSKBP-UHFFFAOYSA-N	0	0	351.410	1.660	10	30		FDEERN
CN(c1cccnn1)C1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000136763436	524215175	/nfs/dbraw/zinc/21/51/75/524215175.db2.gz	UQPXRQFQCSGCNO-UHFFFAOYSA-N	0	0	364.405	1.684	10	30		FDEERN
Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H](C)CC#N	ZINC000111587019	524305267	/nfs/dbraw/zinc/30/52/67/524305267.db2.gz	JHGDNELZJFINON-SNVBAGLBSA-N	0	0	352.350	1.612	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1	ZINC000111731523	524330520	/nfs/dbraw/zinc/33/05/20/524330520.db2.gz	PGGXKMQEIJKQTG-QGZVFWFLSA-N	0	0	369.425	1.732	10	30		FDEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000121690193	524330964	/nfs/dbraw/zinc/33/09/64/524330964.db2.gz	QTVBCLRGEPJSAM-CYBMUJFWSA-N	0	0	372.816	1.955	10	30		FDEERN
CC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C#N)cc1	ZINC000142176190	524346439	/nfs/dbraw/zinc/34/64/39/524346439.db2.gz	UVPVNUCUDNANGZ-HNNXBMFYSA-N	0	0	350.378	1.376	10	30		FDEERN
N#CCCCCS(=O)(=O)NC[C@H](O)CN1CCc2ccccc2C1	ZINC000158875462	524545081	/nfs/dbraw/zinc/54/50/81/524545081.db2.gz	GHEQNWNTIAZFHU-KRWDZBQOSA-N	0	0	351.472	1.019	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(Cc3cnc4ccc(C#N)cn34)CCO2)n1	ZINC000122567930	524565288	/nfs/dbraw/zinc/56/52/88/524565288.db2.gz	POCYQMCDVBVALI-GOSISDBHSA-N	0	0	350.426	1.920	10	30		FDEERN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000113231516	524643327	/nfs/dbraw/zinc/64/33/27/524643327.db2.gz	PEKVTRXWPZBLOA-WMLDXEAASA-N	0	0	361.467	1.168	10	30		FDEERN
CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3C#N)CCO2)[nH]1	ZINC000123113128	524681924	/nfs/dbraw/zinc/68/19/24/524681924.db2.gz	TXGFTMKLYRSXKR-LBPRGKRZSA-N	0	0	365.390	1.140	10	30		FDEERN
COc1ccc(OC)c(S(=O)(=O)N/N=C/c2ccc(OC)c(O)c2)c1	ZINC000020247653	524875116	/nfs/dbraw/zinc/87/51/16/524875116.db2.gz	RNIXCRLLANQONB-LICLKQGHSA-N	0	0	366.395	1.730	10	30		FDEERN
C=CCSCCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O	ZINC000176242342	525070446	/nfs/dbraw/zinc/07/04/46/525070446.db2.gz	DQJANJBBXOGZOG-ZDUSSCGKSA-N	0	0	351.476	1.442	10	30		FDEERN
CN1c2ccccc2N(C)C1=C1C(=N)N([C@H]2CCCn3ncnc32)CC1=O	ZINC000176450370	525121846	/nfs/dbraw/zinc/12/18/46/525121846.db2.gz	PQANPTHZLIBUEZ-AWEZNQCLSA-N	0	0	363.425	1.773	10	30		FDEERN
Cc1nc(CN2CCCN(S(=O)(=O)CCCCC#N)CC2)cs1	ZINC000116351236	525139467	/nfs/dbraw/zinc/13/94/67/525139467.db2.gz	FDPXVWMSFAOTBZ-UHFFFAOYSA-N	0	0	356.517	1.983	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(C(=O)Cc3cccc(OCC#N)c3)CCO2)n1	ZINC000127165497	525392199	/nfs/dbraw/zinc/39/21/99/525392199.db2.gz	QAEMAQQWNLFSEI-IBGZPJMESA-N	0	0	368.437	1.872	10	30		FDEERN
CNC(=O)[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C(C)C	ZINC000178455755	525431803	/nfs/dbraw/zinc/43/18/03/525431803.db2.gz	GRMZVMLOHHXSMM-MRXNPFEDSA-N	0	0	361.421	1.300	10	30		FDEERN
C=CCOc1cc(OC)ccc1C(=O)N1CCO[C@H](Cn2cccn2)C1	ZINC000127652897	525447447	/nfs/dbraw/zinc/44/74/47/525447447.db2.gz	SWJBDBCDHPEFRY-INIZCTEOSA-N	0	0	357.410	1.998	10	30		FDEERN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(c2ccc3nncn3n2)CC1	ZINC000106092248	525574131	/nfs/dbraw/zinc/57/41/31/525574131.db2.gz	GFHICRSFJRRMPJ-HNNXBMFYSA-N	0	0	357.462	1.059	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)n1	ZINC000106140424	525628207	/nfs/dbraw/zinc/62/82/07/525628207.db2.gz	CFMADAGRJYKHFF-ACJLOTCBSA-N	0	0	360.462	1.119	10	30		FDEERN
O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1CCCN(c2cccnn2)C1	ZINC000119467822	525755388	/nfs/dbraw/zinc/75/53/88/525755388.db2.gz	SMUHBYDGGYDURA-HNNXBMFYSA-N	0	0	350.378	1.342	10	30		FDEERN
CCO[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C12CCOCC2	ZINC000185151386	536200330	/nfs/dbraw/zinc/20/03/30/536200330.db2.gz	DLBDIWUYPWRWGU-SJORKVTESA-N	0	0	364.467	1.952	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)cc1Cl	ZINC000186175084	536227859	/nfs/dbraw/zinc/22/78/59/536227859.db2.gz	NTCSTVYBMOAFPF-UHFFFAOYSA-N	0	0	353.831	1.501	10	30		FDEERN
C=CCOc1ccc(C(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)cc1OC	ZINC000262857782	536921872	/nfs/dbraw/zinc/92/18/72/536921872.db2.gz	YKXXTDADCQTYSS-UHFFFAOYSA-N	0	0	362.426	1.927	10	30		FDEERN
CCOCCN1CCN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1C	ZINC000246434966	536953130	/nfs/dbraw/zinc/95/31/30/536953130.db2.gz	LOYTVPPCCHUWBU-ZBFHGGJFSA-N	0	0	362.499	1.768	10	30		FDEERN
C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@@H]1C	ZINC000247164497	537088999	/nfs/dbraw/zinc/08/89/99/537088999.db2.gz	UZKKOMMNSLHDSI-RYUDHWBXSA-N	0	0	364.833	1.064	10	30		FDEERN
C[C@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000247881693	537155991	/nfs/dbraw/zinc/15/59/91/537155991.db2.gz	ZKMKOBFGNAGDIL-KBPBESRZSA-N	0	0	364.877	1.927	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1N1CCOCC1	ZINC000248553347	537191077	/nfs/dbraw/zinc/19/10/77/537191077.db2.gz	LAOMGBDNOVCQGK-IUODEOHRSA-N	0	0	369.874	1.553	10	30		FDEERN
CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000248645232	537200593	/nfs/dbraw/zinc/20/05/93/537200593.db2.gz	GBNCLGUYKFIRRH-ICSRJNTNSA-N	0	0	357.502	1.890	10	30		FDEERN
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1	ZINC000377114898	537955057	/nfs/dbraw/zinc/95/50/57/537955057.db2.gz	NVWNMKLITJJJKH-AAEUAGOBSA-N	0	0	353.448	1.605	10	30		FDEERN
C=C1C[C@]23CC(=O)[C@H]4[C@]56CCC[C@@]4(C)C(=O)N(CCO)[C@H]5[C@H]2C[C@H]1C(=O)[C@H]36	ZINC000006491287	560205988	/nfs/dbraw/zinc/20/59/88/560205988.db2.gz	SOOGRVQQQMCVQZ-OUCMAMRLSA-N	0	0	369.461	1.736	10	30	in-vitro	FDEERN
CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cccc(F)c2C#N)cn1	ZINC000328630860	571325216	/nfs/dbraw/zinc/32/52/16/571325216.db2.gz	QIABFKIJSGCPBP-GOEBONIOSA-N	0	0	364.402	1.722	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc(Br)cc2C#N)CCO1	ZINC000262187425	672742969	/nfs/dbraw/zinc/74/29/69/672742969.db2.gz	XWHZMCARIXEUCX-CYBMUJFWSA-N	0	0	368.231	1.542	10	30		FDEERN
C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC=CC12CCCC2	ZINC000913196044	861653735	/nfs/dbraw/zinc/65/37/35/861653735.db2.gz	SRGPXMUGSAACOJ-ZDUSSCGKSA-N	0	0	359.451	1.825	10	30		FDEERN
CCn1cc([C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CCO2)cn1	ZINC000190501030	178005928	/nfs/dbraw/zinc/00/59/28/178005928.db2.gz	OXUJBQJDZHANHY-MRXNPFEDSA-N	0	0	371.372	1.452	10	30		FDEERN
CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(N)=S)CCC3)CC1	ZINC000040824510	205081749	/nfs/dbraw/zinc/08/17/49/205081749.db2.gz	YVFQSFIYKNZORA-XDHOZWIPSA-N	0	0	363.487	1.239	10	30		FDEERN
CCN(CC/C(N)=N/O)C(=O)c1ccc(I)cc1	ZINC000042453933	205095609	/nfs/dbraw/zinc/09/56/09/205095609.db2.gz	MNNSORZJMFOSQU-UHFFFAOYSA-N	0	0	361.183	1.890	10	30		FDEERN
C[C@@H](CN(C)C(=O)c1ccccc1I)/C(N)=N/O	ZINC000042459119	205096031	/nfs/dbraw/zinc/09/60/31/205096031.db2.gz	UGGJQDARPZVPBJ-QMMMGPOBSA-N	0	0	361.183	1.746	10	30		FDEERN
N#CCNC(=O)C(=O)Nc1cc(Br)ccc1Br	ZINC000042582288	205096526	/nfs/dbraw/zinc/09/65/26/205096526.db2.gz	FGEDFPWBEYSILV-UHFFFAOYSA-N	0	0	360.993	1.790	10	30		FDEERN
C[C@@H](C/C(N)=N/O)N(C)S(=O)(=O)c1sccc1Br	ZINC000063091876	205292503	/nfs/dbraw/zinc/29/25/03/205292503.db2.gz	RVDMODIBJNYHHI-LURJTMIESA-N	0	0	356.267	1.656	10	30		FDEERN
CCN(C[C@@H](C)/C(N)=N/O)S(=O)(=O)c1sccc1Br	ZINC000042446389	205997567	/nfs/dbraw/zinc/99/75/67/205997567.db2.gz	SNUUIBDQCFNBSC-SSDOTTSWSA-N	0	0	370.294	1.904	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1	ZINC000077161646	172122427	/nfs/dbraw/zinc/12/24/27/172122427.db2.gz	GXZRYZCKUNBKLZ-HOTGVXAUSA-N	0	0	350.440	1.140	10	30		FDEERN
Cc1nnc([C@H]2CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CCO2)[nH]1	ZINC000125749641	173017230	/nfs/dbraw/zinc/01/72/30/173017230.db2.gz	HAUAZSJNFHWOSY-GFCCVEGCSA-N	0	0	369.353	1.025	10	30		FDEERN
CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000128460418	173110740	/nfs/dbraw/zinc/11/07/40/173110740.db2.gz	WKVWVWFKIQZOAO-KRWDZBQOSA-N	0	0	371.466	1.779	10	30		FDEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Oc2cccnc2)C1	ZINC000135698087	173351370	/nfs/dbraw/zinc/35/13/70/173351370.db2.gz	FFRPEOHONOXWID-MRXNPFEDSA-N	0	0	366.421	1.871	10	30		FDEERN
Cc1c(C)n(Cc2ccco2)c(NC(=O)CSC[C@H](O)CO)c1C#N	ZINC000177418077	174130270	/nfs/dbraw/zinc/13/02/70/174130270.db2.gz	KINNAXOAZLQZOB-CYBMUJFWSA-N	0	0	363.439	1.643	10	30		FDEERN
CCc1nnc([C@H]2CN(C(=O)[C@@H](C)Oc3ccccc3C#N)CCO2)[nH]1	ZINC000173561635	258303108	/nfs/dbraw/zinc/30/31/08/258303108.db2.gz	ZLYVYANNFIOMLE-IUODEOHRSA-N	0	0	355.398	1.606	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)CC2	ZINC000184730061	258383316	/nfs/dbraw/zinc/38/33/16/258383316.db2.gz	WKDMASWFKJVUMA-LLVKDONJSA-N	0	0	365.846	1.659	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)CCNc2c(C#N)cnc3ccccc32)C[C@H](C)O1	ZINC000301373103	259026773	/nfs/dbraw/zinc/02/67/73/259026773.db2.gz	WEQYHCYQFBMJPQ-KBPBESRZSA-N	0	0	374.466	1.957	10	30		FDEERN
N#Cc1cccc([C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCOC3)CCO2)c1	ZINC000330328125	259139915	/nfs/dbraw/zinc/13/99/15/259139915.db2.gz	LKFLMVWQWQFZLN-RDJZCZTQSA-N	0	0	352.394	1.999	10	30		FDEERN
N#CC1(C(=O)N2CC[C@H]3Oc4ccccc4S(=O)(=O)N[C@H]3CC2)CC1	ZINC000503716702	263668915	/nfs/dbraw/zinc/66/89/15/263668915.db2.gz	NTKSJUPQIJOVFX-QWHCGFSZSA-N	0	0	361.423	1.021	10	30		FDEERN
C=CCO[C@@H]1[C@@H](NC(C)=O)[C@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]21	ZINC000077302509	517337432	/nfs/dbraw/zinc/33/74/32/517337432.db2.gz	YHGQSPVMUYCILV-MGYGNFHQSA-N	0	0	363.410	1.548	10	30	in-vitro	FDEERN
C[C@@H](CNC(=O)N1CCCN(c2ncccc2C#N)CC1)Cn1cccn1	ZINC000056753248	521902425	/nfs/dbraw/zinc/90/24/25/521902425.db2.gz	OCCPGVHBBOACKC-INIZCTEOSA-N	0	0	367.457	1.708	10	30		FDEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C(=O)N1CCCCC1	ZINC000047289743	522490096	/nfs/dbraw/zinc/49/00/96/522490096.db2.gz	RCHLVICYYINWPD-AWEZNQCLSA-N	0	0	358.442	1.313	10	30		FDEERN
N#CCc1ccc(NC(=O)C(=O)N2CCCN(c3nccs3)CC2)cc1	ZINC000064662591	522744263	/nfs/dbraw/zinc/74/42/63/522744263.db2.gz	MSUMNEPEPJGPAC-UHFFFAOYSA-N	0	0	369.450	1.887	10	30		FDEERN
COc1ccc(N2C[C@@H](C(=O)N(C)C3(C#N)CCC3)CC2=O)cc1OC	ZINC000067683306	523541862	/nfs/dbraw/zinc/54/18/62/523541862.db2.gz	WCGZARZOOQRALW-ZDUSSCGKSA-N	0	0	357.410	1.961	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@@H](Cn2cccn2)C1	ZINC000173788724	524456384	/nfs/dbraw/zinc/45/63/84/524456384.db2.gz	MYMANGGZMIGYJA-OAHLLOKOSA-N	0	0	358.373	1.967	10	30		FDEERN
C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCc3ncnn3C2)cc1OC	ZINC000112659134	524528729	/nfs/dbraw/zinc/52/87/29/524528729.db2.gz	UCCKPIRADINRCW-FUVBFXSKSA-N	0	0	354.410	1.996	10	30		FDEERN
N#CCOc1cccc(CC(=O)N[C@H]2CCCN(c3cccnn3)C2)c1	ZINC000089829447	524533268	/nfs/dbraw/zinc/53/32/68/524533268.db2.gz	YAHXMZXDPRTWJT-INIZCTEOSA-N	0	0	351.410	1.707	10	30		FDEERN
C[C@@H]1CN([C@@H](CNS(=O)(=O)CCCC#N)c2cccs2)CCO1	ZINC000175223539	524909858	/nfs/dbraw/zinc/90/98/58/524909858.db2.gz	AAHIDNJPOPZIFA-KGLIPLIRSA-N	0	0	357.501	1.733	10	30		FDEERN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161136179	525041257	/nfs/dbraw/zinc/04/12/57/525041257.db2.gz	YZGSFTTYACKPSJ-CQSZACIVSA-N	0	0	356.386	1.899	10	30		FDEERN
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1	ZINC000116586946	525179074	/nfs/dbraw/zinc/17/90/74/525179074.db2.gz	BDKLQLODYBYXCE-CQSZACIVSA-N	0	0	354.410	1.940	10	30		FDEERN
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	ZINC000126009320	525262900	/nfs/dbraw/zinc/26/29/00/525262900.db2.gz	OCWZCLQCSKTBGC-VFVRVIDISA-N	0	0	374.466	1.702	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cc1	ZINC000177395724	525285917	/nfs/dbraw/zinc/28/59/17/525285917.db2.gz	NZFZNPZVUNNVHI-KRWDZBQOSA-N	0	0	370.453	1.238	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)n1	ZINC000106133419	525623736	/nfs/dbraw/zinc/62/37/36/525623736.db2.gz	XSFRZZZOZYTUKU-ZIAGYGMSSA-N	0	0	368.441	1.956	10	30		FDEERN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1	ZINC000106142551	525630235	/nfs/dbraw/zinc/63/02/35/525630235.db2.gz	XTIUXBFUIZVYAN-SFHVURJKSA-N	0	0	361.534	1.968	10	30		FDEERN
CCCC(=O)N[C@H]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000171119805	525857586	/nfs/dbraw/zinc/85/75/86/525857586.db2.gz	JNAWWXYKJLNQPP-INIZCTEOSA-N	0	0	356.426	1.195	10	30		FDEERN
N#CCOc1ccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1	ZINC000171906918	526176685	/nfs/dbraw/zinc/17/66/85/526176685.db2.gz	MSKJSTKJPDBXJO-QGZVFWFLSA-N	0	0	355.398	1.396	10	30		FDEERN
C=CCc1ccc(OC[C@H](O)CN2CC(NC(=O)C3CC3)C2)c(OC)c1	ZINC000187977814	536279416	/nfs/dbraw/zinc/27/94/16/536279416.db2.gz	DVHZZPJERXOKBC-QGZVFWFLSA-N	0	0	360.454	1.374	10	30		FDEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)CC2	ZINC000188300476	536289142	/nfs/dbraw/zinc/28/91/42/536289142.db2.gz	JOOYXQAZWXJXFX-AWEZNQCLSA-N	0	0	352.398	1.343	10	30		FDEERN
N#Cc1ccccc1CSCCNC(=O)N1CC(NC(=O)C2CC2)C1	ZINC000190017983	537127766	/nfs/dbraw/zinc/12/77/66/537127766.db2.gz	WHBYDPVIOLNFPF-UHFFFAOYSA-N	0	0	358.467	1.711	10	30		FDEERN
C[C@@H]1CN([C@H](CNS(=O)(=O)CC2(C#N)CC2)c2cccs2)CCO1	ZINC000248657815	537202418	/nfs/dbraw/zinc/20/24/18/537202418.db2.gz	XOAUEPXEHUINPA-ZIAGYGMSSA-N	0	0	369.512	1.733	10	30		FDEERN
C[C@@](C#N)(NC(=O)CN1CCCC[C@H]1c1nnc2n1CCCC2)C1CC1	ZINC000249855958	537243157	/nfs/dbraw/zinc/24/31/57/537243157.db2.gz	DEDCMVSOJNQWQE-KXBFYZLASA-N	0	0	356.474	1.950	10	30		FDEERN
C[C@@](C#N)(NC(=O)CN1CCCC[C@@H]1c1nnc2n1CCCC2)C1CC1	ZINC000195510656	537416647	/nfs/dbraw/zinc/41/66/47/537416647.db2.gz	DEDCMVSOJNQWQE-BEFAXECRSA-N	0	0	356.474	1.950	10	30		FDEERN
Cn1cc([C@H]2CS(=O)(=O)CCN2Cc2ccc(Cl)cc2C#N)cn1	ZINC000285267770	537674394	/nfs/dbraw/zinc/67/43/94/537674394.db2.gz	JKTCPLXWSKGSNW-MRXNPFEDSA-N	0	0	364.858	1.917	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCn3ccnc3C2)cc1Cl	ZINC000328628347	571324967	/nfs/dbraw/zinc/32/49/67/571324967.db2.gz	NQRSHBJYTVCPBW-LLVKDONJSA-N	0	0	350.831	1.949	10	30		FDEERN
C=C(Br)CNC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21	ZINC000120416832	671689133	/nfs/dbraw/zinc/68/91/33/671689133.db2.gz	CYSDHVHNINGPOB-SECBINFHSA-N	0	0	372.244	1.138	10	30		FDEERN
N#C[C@@H](C(=O)[C@@H]1CNC(=O)C1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3	ZINC000171480285	672054778	/nfs/dbraw/zinc/05/47/78/672054778.db2.gz	JWJKHIMPIFONOC-WPRPVWTQSA-N	0	0	356.407	1.176	10	30		FDEERN
C=CCO[C@@H]1CCN(c2ncc(C(=O)N3CCOCC3)cc2Cl)C1	ZINC000302191493	676541006	/nfs/dbraw/zinc/54/10/06/676541006.db2.gz	VVGZFNUISMUUNM-CQSZACIVSA-N	0	0	351.834	1.989	10	30		FDEERN
CCn1cc([C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cc3)CCO2)cn1	ZINC000190735791	178018874	/nfs/dbraw/zinc/01/88/74/178018874.db2.gz	WWMOUUWBOFONTN-SFHVURJKSA-N	0	0	374.466	1.622	10	30		FDEERN
C[C@H](C/C(N)=N/O)N(C)C(=O)c1ccccc1I	ZINC000063090895	205292083	/nfs/dbraw/zinc/29/20/83/205292083.db2.gz	WPWZIPZKIBVTBE-MRVPVSSYSA-N	0	0	361.183	1.888	10	30		FDEERN
N#Cc1ccc(CNC(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1	ZINC000172443259	258276013	/nfs/dbraw/zinc/27/60/13/258276013.db2.gz	SVVFTURBBDWFSP-UHFFFAOYSA-N	0	0	362.397	1.028	10	30		FDEERN
CN(C(=O)COc1ccccc1C#N)[C@H]1CCCN(c2cccnn2)C1	ZINC000122479739	172900968	/nfs/dbraw/zinc/90/09/68/172900968.db2.gz	RIYRNDLVLYSAEU-INIZCTEOSA-N	0	0	351.410	1.854	10	30		FDEERN
CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1cccc(C#N)c1	ZINC000128393881	173109066	/nfs/dbraw/zinc/10/90/66/173109066.db2.gz	DEPAGKHVZGILRR-OAHLLOKOSA-N	0	0	357.439	1.638	10	30		FDEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Oc2cccnc2)C1	ZINC000135698053	173351668	/nfs/dbraw/zinc/35/16/68/173351668.db2.gz	FFRPEOHONOXWID-INIZCTEOSA-N	0	0	366.421	1.871	10	30		FDEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@@H](c2nccs2)C1	ZINC000157428405	173618332	/nfs/dbraw/zinc/61/83/32/173618332.db2.gz	PFHWPQOZFHIWQR-GFCCVEGCSA-N	0	0	353.400	1.916	10	30		FDEERN
Cc1nccn1C[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000175428485	174005559	/nfs/dbraw/zinc/00/55/59/174005559.db2.gz	RUMYUAHKXHSCSK-KRWDZBQOSA-N	0	0	351.410	1.484	10	30		FDEERN
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC(Cn2cccn2)CC1	ZINC000175993873	174042475	/nfs/dbraw/zinc/04/24/75/174042475.db2.gz	GZAWTCJQIZXGCO-UHFFFAOYSA-N	0	0	355.373	1.771	10	30		FDEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCCN(c2cccnn2)CC1	ZINC000177051571	174104303	/nfs/dbraw/zinc/10/43/03/174104303.db2.gz	HQHFISPZOIKPBN-SFHVURJKSA-N	0	0	351.410	1.775	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)n1	ZINC000177622308	174145415	/nfs/dbraw/zinc/14/54/15/174145415.db2.gz	GQQDWXVXJRJHHS-LBPRGKRZSA-N	0	0	368.397	1.094	10	30		FDEERN
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184597930	258382271	/nfs/dbraw/zinc/38/22/71/258382271.db2.gz	YXJGBBHJCFXKQC-CJNGLKHVSA-N	0	0	353.430	1.989	10	30		FDEERN
N#Cc1cc(S(N)(=O)=O)ccc1NCC[S@@](=O)Cc1ccccc1	ZINC000301407943	259027686	/nfs/dbraw/zinc/02/76/86/259027686.db2.gz	WAKOWEWHGNKBJV-HSZRJFAPSA-N	0	0	363.464	1.566	10	30		FDEERN
CS(=O)(=O)CC1(CNc2ccc(C#N)cc2[N+](=O)[O-])CCOCC1	ZINC000301843097	259034462	/nfs/dbraw/zinc/03/44/62/259034462.db2.gz	RALLJCVAZNQZFR-UHFFFAOYSA-N	0	0	353.400	1.720	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)C2)n1	ZINC000329749125	259110382	/nfs/dbraw/zinc/11/03/82/259110382.db2.gz	HFZKJKZPIQUSBB-XSLAGTTESA-N	0	0	354.454	1.707	10	30		FDEERN
N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)NC3CCCC3)C2=O)cc1	ZINC000329829827	259112717	/nfs/dbraw/zinc/11/27/17/259112717.db2.gz	JNXRHIDPEDAPRX-MRXNPFEDSA-N	0	0	362.455	1.420	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[S@@](=O)C[C@@H](C)C3)C2)n1	ZINC000330326863	259139812	/nfs/dbraw/zinc/13/98/12/259139812.db2.gz	KLBHETUKYLAQSI-SJUHQFKNSA-N	0	0	374.510	1.705	10	30		FDEERN
C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O	ZINC000070451386	522007420	/nfs/dbraw/zinc/00/74/20/522007420.db2.gz	BOJKULTULYSRAS-BICKYKMSSA-N	0	0	350.455	1.963	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)n1	ZINC000110894454	524154380	/nfs/dbraw/zinc/15/43/80/524154380.db2.gz	WYXNPCIXIDPHKT-KGLIPLIRSA-N	0	0	369.425	1.922	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccn(CCC#N)n3)C2=O)n(C)n1	ZINC000173359275	524374058	/nfs/dbraw/zinc/37/40/58/524374058.db2.gz	UJBIEJMPTJRKPN-CYBMUJFWSA-N	0	0	370.417	1.156	10	30		FDEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1	ZINC000173805286	524461201	/nfs/dbraw/zinc/46/12/01/524461201.db2.gz	XWGAKJCXRSYSJW-DNVCBOLYSA-N	0	0	373.501	1.525	10	30		FDEERN
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1COc2ccccc21	ZINC000158925660	524556235	/nfs/dbraw/zinc/55/62/35/524556235.db2.gz	CYGZNVBAGHDAJU-XJKSGUPXSA-N	0	0	364.409	1.702	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000123161308	524693055	/nfs/dbraw/zinc/69/30/55/524693055.db2.gz	OGXBOOQQHAQAJB-XOBRGWDASA-N	0	0	374.412	1.930	10	30		FDEERN
Cn1cc([C@@H]2[C@@H](C(=O)Nc3ccc(F)c(C#N)c3)CCC(=O)N2C)cn1	ZINC000115214978	524953495	/nfs/dbraw/zinc/95/34/95/524953495.db2.gz	XJTMAFKDFBYRQQ-WMLDXEAASA-N	0	0	355.373	1.979	10	30		FDEERN
CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000124898695	525101455	/nfs/dbraw/zinc/10/14/55/525101455.db2.gz	PZRCWLAZOAQLAK-LBPRGKRZSA-N	0	0	371.409	1.906	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)cc1	ZINC000176893390	525194769	/nfs/dbraw/zinc/19/47/69/525194769.db2.gz	ZYTQNJFWKZIWAM-KRWDZBQOSA-N	0	0	372.469	1.484	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)c1	ZINC000177588998	525315686	/nfs/dbraw/zinc/31/56/86/525315686.db2.gz	BBKNFLDTUJAQRN-OAHLLOKOSA-N	0	0	352.394	1.779	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1	ZINC000177780577	525344486	/nfs/dbraw/zinc/34/44/86/525344486.db2.gz	JVYYKVOUDAMCKX-CRAIPNDOSA-N	0	0	372.469	1.787	10	30		FDEERN
N#Cc1ccsc1NC(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000106096648	525576637	/nfs/dbraw/zinc/57/66/37/525576637.db2.gz	MULMIZZTYYZGGI-QGZVFWFLSA-N	0	0	370.478	1.909	10	30		FDEERN
CCOc1cc(C)nc(N2CCN(CC(=O)N(CC)C[C@H](C)C#N)CC2)n1	ZINC000106153480	525636830	/nfs/dbraw/zinc/63/68/30/525636830.db2.gz	GMLTXXOIWZJDPL-OAHLLOKOSA-N	0	0	374.489	1.314	10	30		FDEERN
CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000106368075	525705226	/nfs/dbraw/zinc/70/52/26/525705226.db2.gz	CCSREUNIXKGWIQ-LBPRGKRZSA-N	0	0	363.418	1.877	10	30		FDEERN
CN1CCO[C@@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1	ZINC000108891992	526042611	/nfs/dbraw/zinc/04/26/11/526042611.db2.gz	XERNWHXICBVDGY-KRWDZBQOSA-N	0	0	358.442	1.160	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000185126334	536199489	/nfs/dbraw/zinc/19/94/89/536199489.db2.gz	RUZZFXDKBMGQCA-FOIQADDNSA-N	0	0	356.422	1.791	10	30		FDEERN
CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C12CCOCC2	ZINC000185150326	536200319	/nfs/dbraw/zinc/20/03/19/536200319.db2.gz	WZWAZFNKBKTZKN-HOTGVXAUSA-N	0	0	368.430	1.950	10	30		FDEERN
CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C#N)cc1OC	ZINC000185841031	536218993	/nfs/dbraw/zinc/21/89/93/536218993.db2.gz	WVNQVBWEVPFNNO-GFCCVEGCSA-N	0	0	361.427	1.534	10	30		FDEERN
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1nnc2n1CCCC2	ZINC000185858135	536219539	/nfs/dbraw/zinc/21/95/39/536219539.db2.gz	WPOHMWBYUDXAPK-NSHDSACASA-N	0	0	361.427	1.534	10	30		FDEERN
Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)n1	ZINC000186347893	536232896	/nfs/dbraw/zinc/23/28/96/536232896.db2.gz	DNXWTGCHOXKXQY-LBPRGKRZSA-N	0	0	368.802	1.665	10	30		FDEERN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1	ZINC000263066284	536968865	/nfs/dbraw/zinc/96/88/65/536968865.db2.gz	YWTHBPWOPCPUQK-HNNXBMFYSA-N	0	0	365.455	1.426	10	30		FDEERN
CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)NC[C@H](C)C#N)CC1	ZINC000190152266	537147027	/nfs/dbraw/zinc/14/70/27/537147027.db2.gz	WLSDUCKNNBHILA-CQSZACIVSA-N	0	0	352.479	1.984	10	30		FDEERN
CC1(C)C(C2=S=CC=C2)=[N+]([O-])[C@]2(CCCC/C2=N\NC(N)=S)N1O	ZINC000575346558	550455758	/nfs/dbraw/zinc/45/57/58/550455758.db2.gz	WKFOGJDMDUISON-QAEAHILHSA-O	0	0	368.508	1.050	10	30		FDEERN
CS(=O)(=O)OCCc1cc2c(cc1I)OCO2	ZINC000584621363	551524197	/nfs/dbraw/zinc/52/41/97/551524197.db2.gz	XXPOQAVLUDPLLH-UHFFFAOYSA-N	0	0	370.164	1.539	10	30		FDEERN
C=CCn1nnn(CN2CCN([C@H](C)c3nc(CC)no3)CC2)c1=S	ZINC000112071228	671635805	/nfs/dbraw/zinc/63/58/05/671635805.db2.gz	GYOFPVRNPPNOOY-GFCCVEGCSA-N	0	0	364.479	1.277	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2ccc(C#N)cc2)C1	ZINC000707546065	886892585	/nfs/dbraw/zinc/89/25/85/886892585.db2.gz	WEEDKFRPMPZCIO-HOTGVXAUSA-N	0	0	359.426	1.445	10	30		FDEERN
CCn1cc([C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CCO2)cn1	ZINC000190524803	178007490	/nfs/dbraw/zinc/00/74/90/178007490.db2.gz	HAPDPVZEIPLMPI-MRXNPFEDSA-N	0	0	371.372	1.452	10	30		FDEERN
CCOc1cc(C)nc(N2CCN(C(=O)c3ccnc(C#N)c3)CC2)n1	ZINC000193173810	178151198	/nfs/dbraw/zinc/15/11/98/178151198.db2.gz	XISJGVUAQYYVCZ-UHFFFAOYSA-N	0	0	352.398	1.413	10	30		FDEERN
Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2C#N)n1	ZINC000328618173	203832565	/nfs/dbraw/zinc/83/25/65/203832565.db2.gz	DLXKONVJQZFHIG-NWDGAFQWSA-N	0	0	368.802	1.400	10	30		FDEERN
C[C@@H](CN(C)S(=O)(=O)c1ccc(Br)s1)/C(N)=N/O	ZINC000042459648	205096323	/nfs/dbraw/zinc/09/63/23/205096323.db2.gz	BLDTZTRQDXJAFL-LURJTMIESA-N	0	0	356.267	1.514	10	30		FDEERN
N/C(CCN(C1CC1)S(=O)(=O)c1ccc(Br)s1)=N/O	ZINC000042548018	206001873	/nfs/dbraw/zinc/00/18/73/206001873.db2.gz	WSPBSVHLVQOJHC-UHFFFAOYSA-N	0	0	368.278	1.800	10	30		FDEERN
CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C12CCOCC2	ZINC000185151197	177675038	/nfs/dbraw/zinc/67/50/38/177675038.db2.gz	HNSLQQJUJFIJAO-HZPDHXFCSA-N	0	0	350.440	1.811	10	30		FDEERN
C#CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCOCC1	ZINC000226278418	132374873	/nfs/dbraw/zinc/37/48/73/132374873.db2.gz	OCZPXGRPGNGPBW-UHFFFAOYSA-N	0	0	370.327	1.838	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1N1CCOCC1	ZINC000126086317	173029251	/nfs/dbraw/zinc/02/92/51/173029251.db2.gz	VHOHJBODELIMLM-ABAIWWIYSA-N	0	0	371.409	1.178	10	30		FDEERN
CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000128429314	173109807	/nfs/dbraw/zinc/10/98/07/173109807.db2.gz	NAMCHXZDBXGAMK-HNNXBMFYSA-N	0	0	357.439	1.638	10	30		FDEERN
Cc1cccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)c1C#N	ZINC000165511144	173816364	/nfs/dbraw/zinc/81/63/64/173816364.db2.gz	RXJDKEKRTDZVSL-GFCCVEGCSA-N	0	0	352.398	1.610	10	30		FDEERN
CC[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CCN1CCOC	ZINC000176232732	174060103	/nfs/dbraw/zinc/06/01/03/174060103.db2.gz	XWUULOOOHIICSV-KRWDZBQOSA-N	0	0	365.499	1.375	10	30		FDEERN
C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1N1CCOCC1	ZINC000177233104	174116536	/nfs/dbraw/zinc/11/65/36/174116536.db2.gz	GFFMAIMUUISQQV-DYVFJYSZSA-N	0	0	362.861	1.803	10	30		FDEERN
C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1N1CCOCC1	ZINC000177273732	174119052	/nfs/dbraw/zinc/11/90/52/174119052.db2.gz	WVWPNRWNIOYVTM-GUYCJALGSA-N	0	0	362.861	1.803	10	30		FDEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1	ZINC000174000390	258316739	/nfs/dbraw/zinc/31/67/39/258316739.db2.gz	CKSHEZPHRNZTHU-AWEZNQCLSA-N	0	0	355.847	1.307	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCCC[C@H]2CO)cc1	ZINC000179213290	258346182	/nfs/dbraw/zinc/34/61/82/258346182.db2.gz	MEHMZGYDJXMERM-HOTGVXAUSA-N	0	0	350.440	1.140	10	30		FDEERN
C#CCCCn1c2ncnc(N)c2nc1S(=O)(=O)c1cccc(OC)c1	ZINC000013642844	518664382	/nfs/dbraw/zinc/66/43/82/518664382.db2.gz	DNTQIFGSIUDZPC-UHFFFAOYSA-N	0	0	371.422	1.663	10	30		FDEERN
C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1cccc(Br)c1	ZINC000026710070	519134212	/nfs/dbraw/zinc/13/42/12/519134212.db2.gz	KSZDCWJPLBQSEJ-VIFPVBQESA-N	0	0	363.215	1.891	10	30		FDEERN
C[C@@H](CNC(=O)NCCSCc1ccccc1C#N)N1CCOCC1	ZINC000048105206	522670113	/nfs/dbraw/zinc/67/01/13/522670113.db2.gz	DTNVBUNCMKUWFD-HNNXBMFYSA-N	0	0	362.499	1.811	10	30		FDEERN
Cc1csc(N2CCCN(CC(=O)N(CCC#N)CCC#N)CC2)n1	ZINC000064635926	522741372	/nfs/dbraw/zinc/74/13/72/522741372.db2.gz	BAKDCCJBLROYDH-UHFFFAOYSA-N	0	0	360.487	1.620	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)n1	ZINC000110894456	524155385	/nfs/dbraw/zinc/15/53/85/524155385.db2.gz	WYXNPCIXIDPHKT-KBPBESRZSA-N	0	0	369.425	1.922	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)cn1	ZINC000172605288	524247756	/nfs/dbraw/zinc/24/77/56/524247756.db2.gz	OUKVNLINWQYXRL-UHFFFAOYSA-N	0	0	369.406	1.605	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)n1	ZINC000111344442	524265792	/nfs/dbraw/zinc/26/57/92/524265792.db2.gz	MZIBXLNFGNEVJL-LBPRGKRZSA-N	0	0	361.427	1.317	10	30		FDEERN
C#CCSCCNC(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1	ZINC000121508036	524279870	/nfs/dbraw/zinc/27/98/70/524279870.db2.gz	OINDXJCGWIRGOS-ZDUSSCGKSA-N	0	0	351.476	1.387	10	30		FDEERN
C#CCSCCNC(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000121520915	524282029	/nfs/dbraw/zinc/28/20/29/524282029.db2.gz	WJFQDWPWXBWYML-UHFFFAOYSA-N	0	0	363.531	1.832	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(F)c(C#N)c3)CCO2)c1	ZINC000112094070	524403384	/nfs/dbraw/zinc/40/33/84/524403384.db2.gz	DXKGFJXGRJMQBO-CQSZACIVSA-N	0	0	364.402	1.292	10	30		FDEERN
Cc1ccc([C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCO2)o1	ZINC000089266693	524482588	/nfs/dbraw/zinc/48/25/88/524482588.db2.gz	CDPPWLVMWQDUIC-HKUYNNGSSA-N	0	0	374.485	1.654	10	30		FDEERN
C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000174346024	524545120	/nfs/dbraw/zinc/54/51/20/524545120.db2.gz	BUBYDVBWUSLIIE-VXGBXAGGSA-N	0	0	364.833	1.064	10	30		FDEERN
N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1	ZINC000123610500	524791212	/nfs/dbraw/zinc/79/12/12/524791212.db2.gz	IKDPYRSGOGOKRY-GHMZBOCLSA-N	0	0	357.336	1.973	10	30		FDEERN
COc1ccc(OC)c(S(=O)(=O)N/N=C/c2ccc(O)c(O)c2)c1	ZINC000020247651	524875542	/nfs/dbraw/zinc/87/55/42/524875542.db2.gz	MLHNQYHYXHFOBV-CXUHLZMHSA-N	0	0	352.368	1.427	10	30		FDEERN
Cc1noc([C@@H]2COCCN2CC(=O)N(CCC#N)c2ccccc2)n1	ZINC000161032994	525021595	/nfs/dbraw/zinc/02/15/95/525021595.db2.gz	LTGUVFFMQUONJP-INIZCTEOSA-N	0	0	355.398	1.698	10	30		FDEERN
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2C#N)CN1CCCSC	ZINC000096149877	525141233	/nfs/dbraw/zinc/14/12/33/525141233.db2.gz	PGPWLDSAPAPPMG-RDJZCZTQSA-N	0	0	374.510	1.620	10	30		FDEERN
CCC#CCN1C[C@@H](NC(=O)c2cnc(C)cc2C)C[C@H]1C(=O)NCC	ZINC000096151910	525143038	/nfs/dbraw/zinc/14/30/38/525143038.db2.gz	KILQFYWCPWMTQG-WMZOPIPTSA-N	0	0	356.470	1.421	10	30		FDEERN
N#Cc1ccc(C(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)cc1	ZINC000117311959	525320115	/nfs/dbraw/zinc/32/01/15/525320115.db2.gz	LTDMKDVHOMWVGV-IBGZPJMESA-N	0	0	365.433	1.756	10	30		FDEERN
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCN1CCOC	ZINC000117526765	525362131	/nfs/dbraw/zinc/36/21/31/525362131.db2.gz	BFJURTUZFDMZRI-HNNXBMFYSA-N	0	0	362.405	1.205	10	30		FDEERN
CCn1cc(CN2CCCN(S(=O)(=O)CC3(C#N)CC3)CC2)cn1	ZINC000165284086	525548671	/nfs/dbraw/zinc/54/86/71/525548671.db2.gz	PYXLZKRKSUIKMA-UHFFFAOYSA-N	0	0	351.476	1.044	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000106139951	525627498	/nfs/dbraw/zinc/62/74/98/525627498.db2.gz	AATJSBCUYMDSNT-CQSZACIVSA-N	0	0	368.441	1.821	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN([C@H](C)c2nc(CC)no2)CC1	ZINC000106137770	525627867	/nfs/dbraw/zinc/62/78/67/525627867.db2.gz	FQCPWNUOWHHTNV-HZPDHXFCSA-N	0	0	361.490	1.900	10	30		FDEERN
CCN(CCC#N)C(=O)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000106144427	525629167	/nfs/dbraw/zinc/62/91/67/525629167.db2.gz	HXBSAPSMQHDILM-UHFFFAOYSA-N	0	0	360.506	1.518	10	30		FDEERN
CCN(C[C@@H](C)C#N)C(=O)CN1CCN(Cc2c(C)nn(C)c2C)CC1	ZINC000106142209	525630661	/nfs/dbraw/zinc/63/06/61/525630661.db2.gz	JUNPSQAJOQJIDF-HNNXBMFYSA-N	0	0	360.506	1.163	10	30		FDEERN
CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccn(CCC#N)n2)C12CCCC2	ZINC000119108862	525638079	/nfs/dbraw/zinc/63/80/79/525638079.db2.gz	SBZSSAWDSIGQLS-CABCVRRESA-N	0	0	373.457	1.931	10	30		FDEERN
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCO[C@H](Cn2cccn2)C1	ZINC000106190488	525660563	/nfs/dbraw/zinc/66/05/63/525660563.db2.gz	NSVUGRWMOUBZID-NNVNDSJASA-N	0	0	373.501	1.903	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1C	ZINC000184748962	536181374	/nfs/dbraw/zinc/18/13/74/536181374.db2.gz	TXPBKCDZCXBWIC-ZDUSSCGKSA-N	0	0	371.890	1.943	10	30		FDEERN
N#Cc1cc(F)c(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c(F)c1	ZINC000186181377	536228104	/nfs/dbraw/zinc/22/81/04/536228104.db2.gz	UOVPXBGQVFYVIO-UHFFFAOYSA-N	0	0	355.366	1.126	10	30		FDEERN
N#Cc1cccc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1	ZINC000186284400	536231126	/nfs/dbraw/zinc/23/11/26/536231126.db2.gz	SVLLXXXNDMIWDV-HOCLYGCPSA-N	0	0	355.419	1.793	10	30		FDEERN
Cc1cccc(S(=O)(=O)N2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c1C#N	ZINC000262994438	536956426	/nfs/dbraw/zinc/95/64/26/536956426.db2.gz	OWAFNNHUGNWFHH-CQSZACIVSA-N	0	0	365.455	1.426	10	30		FDEERN
N#C[C@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CCN1Cc1ccccc1	ZINC000247346383	537111862	/nfs/dbraw/zinc/11/18/62/537111862.db2.gz	KWBNNOSTLADSMO-IRXDYDNUSA-N	0	0	365.441	1.012	10	30		FDEERN
COCCN1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H]1C	ZINC000247585887	537138005	/nfs/dbraw/zinc/13/80/05/537138005.db2.gz	IZEVXBIFONNCNH-NRGCRIOASA-N	0	0	364.534	1.958	10	30		FDEERN
C=C[C@](C)(O)[C@H](O)C[C@@H]1[C@](C)(O)[C@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@]12C	ZINC000248045460	537164502	/nfs/dbraw/zinc/16/45/02/537164502.db2.gz	WQGJQTTYXPLSSA-KENULNKJSA-N	0	0	356.503	1.610	10	30		FDEERN
N#Cc1ncccc1N1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1	ZINC000290923585	537471846	/nfs/dbraw/zinc/47/18/46/537471846.db2.gz	IPVFZXVXQZKFCC-OAHLLOKOSA-N	0	0	352.442	1.893	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1	ZINC000245422726	537658483	/nfs/dbraw/zinc/65/84/83/537658483.db2.gz	AFZYAJLPOHOPPP-CABCVRRESA-N	0	0	360.458	1.521	10	30		FDEERN
C#Cc1cccc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c1	ZINC000029478307	670812682	/nfs/dbraw/zinc/81/26/82/670812682.db2.gz	GZINIAOGKNCTPT-LBPRGKRZSA-N	0	0	353.403	1.734	10	30		FDEERN
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1	ZINC000374449338	678081089	/nfs/dbraw/zinc/08/10/89/678081089.db2.gz	ATQDJBQOXMONHM-WCQYABFASA-N	0	0	353.448	1.463	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])C1	ZINC000702807032	884230347	/nfs/dbraw/zinc/23/03/47/884230347.db2.gz	NEYGAVKTXUMPOZ-WCQYABFASA-N	0	0	363.374	1.501	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)Nc2cccc(C#N)c2)[C@H](O)C1	ZINC000702843227	884262693	/nfs/dbraw/zinc/26/26/93/884262693.db2.gz	CBJLISYQVVWGQB-UKRRQHHQSA-N	0	0	360.414	1.908	10	30		FDEERN
CCn1cc([C@@H]2CN(CC(=O)Nc3oc(C)c(C)c3C#N)CCO2)cn1	ZINC000190763799	178022189	/nfs/dbraw/zinc/02/21/89/178022189.db2.gz	DJVOZMCPQLIITC-INIZCTEOSA-N	0	0	357.414	1.997	10	30		FDEERN
C[C@H](CN(C)C(=O)c1ccccc1I)/C(N)=N/O	ZINC000042459121	205096138	/nfs/dbraw/zinc/09/61/38/205096138.db2.gz	UGGJQDARPZVPBJ-MRVPVSSYSA-N	0	0	361.183	1.746	10	30		FDEERN
CCN(C[C@H](C)/C(N)=N/O)S(=O)(=O)c1sccc1Br	ZINC000042446391	205998070	/nfs/dbraw/zinc/99/80/70/205998070.db2.gz	SNUUIBDQCFNBSC-ZETCQYMHSA-N	0	0	370.294	1.904	10	30		FDEERN
C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]34O[C@@H]4C[C@]2(C)[C@]1(O)C(=O)CO	ZINC000118916720	206103889	/nfs/dbraw/zinc/10/38/89/206103889.db2.gz	CJBJYUODJVBLNX-OTICVBGHSA-N	0	0	370.445	1.884	10	30		FDEERN
Cc1noc(CCCC(=O)N2CCCN(c3ncccc3C#N)CC2)n1	ZINC000055742842	171961634	/nfs/dbraw/zinc/96/16/34/171961634.db2.gz	IZAQJQNYYZQLAG-UHFFFAOYSA-N	0	0	354.414	1.706	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)CCN2CCCN(c3cccnn3)CC2)c1	ZINC000128611694	173115125	/nfs/dbraw/zinc/11/51/25/173115125.db2.gz	VLUZPTILUUMYDB-UHFFFAOYSA-N	0	0	371.466	1.334	10	30		FDEERN
N#Cc1ccc(OC2CN(C(=O)CNC(=O)NC3CCCCC3)C2)cc1	ZINC000130386754	173169099	/nfs/dbraw/zinc/16/90/99/173169099.db2.gz	KOMFJQZKGWSGPM-UHFFFAOYSA-N	0	0	356.426	1.780	10	30		FDEERN
C[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)N1CCOCC1	ZINC000150946953	173386397	/nfs/dbraw/zinc/38/63/97/173386397.db2.gz	OAPLSNQXYTXBRG-HNNXBMFYSA-N	0	0	358.442	1.504	10	30		FDEERN
CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccccc1C#N	ZINC000157727880	173625996	/nfs/dbraw/zinc/62/59/96/173625996.db2.gz	WGZRIHQVGWPMAD-HNNXBMFYSA-N	0	0	357.439	1.638	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)/C=C/c3ccccc3C#N)C2=O)n(C)n1	ZINC000174990197	173977378	/nfs/dbraw/zinc/97/73/78/173977378.db2.gz	JHRHRTBPERECFC-FVNWOWOISA-N	0	0	363.421	1.925	10	30		FDEERN
C[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000175821042	174030499	/nfs/dbraw/zinc/03/04/99/174030499.db2.gz	GGWSHWNADLXWFF-YJBOKZPZSA-N	0	0	358.442	1.299	10	30		FDEERN
CCN1CCC[C@@H]1CN(C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000177029302	174102355	/nfs/dbraw/zinc/10/23/55/174102355.db2.gz	HISOQTJCCQBLMZ-QGZVFWFLSA-N	0	0	363.483	1.416	10	30		FDEERN
C[C@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCCC2	ZINC000173624578	258305650	/nfs/dbraw/zinc/30/56/50/258305650.db2.gz	JXBPADRFPFBNIY-BBRMVZONSA-N	0	0	350.426	1.942	10	30		FDEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1	ZINC000174000588	258316759	/nfs/dbraw/zinc/31/67/59/258316759.db2.gz	ABAJAXUGKAVQLW-GFCCVEGCSA-N	0	0	355.847	1.307	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2=O)n(C)n1	ZINC000178827150	258336527	/nfs/dbraw/zinc/33/65/27/258336527.db2.gz	GUMLZOCKVJZENC-CQSZACIVSA-N	0	0	373.438	1.074	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)C2)n1	ZINC000329749122	259110330	/nfs/dbraw/zinc/11/03/30/259110330.db2.gz	HFZKJKZPIQUSBB-FJIDUMEYSA-N	0	0	354.454	1.707	10	30		FDEERN
COc1ccc(OC)c(S(=O)(=O)N/N=C/c2ccc3c(c2)OCO3)c1	ZINC000006736248	263346611	/nfs/dbraw/zinc/34/66/11/263346611.db2.gz	OMSMAXKIBVRGHG-RQZCQDPDSA-N	0	0	364.379	1.745	10	30		FDEERN
C=C1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]2(C)[C@]1(O)C(=O)CO	ZINC000504813452	263774031	/nfs/dbraw/zinc/77/40/31/263774031.db2.gz	CJBJYUODJVBLNX-VMIRUKHBSA-N	0	0	370.445	1.884	10	30		FDEERN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(c2cc(C)nc3ncnn32)CC1	ZINC000029722640	519316677	/nfs/dbraw/zinc/31/66/77/519316677.db2.gz	HSKYJQFOXBNXTO-MRXNPFEDSA-N	0	0	371.489	1.368	10	30		FDEERN
C[C@H](C(=O)OC(C)(C)C)N(C)CCS(=O)(=O)c1cccc(C#N)c1	ZINC000156820547	524156588	/nfs/dbraw/zinc/15/65/88/524156588.db2.gz	FWXLVWHNHPDGLO-CYBMUJFWSA-N	0	0	352.456	1.994	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccccc3OCC#N)CCO2)n1	ZINC000110904099	524160089	/nfs/dbraw/zinc/16/00/89/524160089.db2.gz	BJQPMWMDWPQNKM-INIZCTEOSA-N	0	0	354.410	1.944	10	30		FDEERN
COc1ccc([C@@H](CCOS(C)(=O)=O)COS(C)(=O)=O)cc1	ZINC000137600903	524242577	/nfs/dbraw/zinc/24/25/77/524242577.db2.gz	MYXRTZQYPMJQAL-LBPRGKRZSA-N	0	0	352.430	1.121	10	30		FDEERN
C#CCOc1ccc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1	ZINC000121659564	524321991	/nfs/dbraw/zinc/32/19/91/524321991.db2.gz	QKJKHSDRPUJMMT-UHFFFAOYSA-N	0	0	362.393	1.099	10	30		FDEERN
Cc1nnc([C@H]2CN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CCO2)[nH]1	ZINC000173357613	524373922	/nfs/dbraw/zinc/37/39/22/524373922.db2.gz	HXFMHYPESWSHPA-WMLDXEAASA-N	0	0	368.441	1.822	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cn1	ZINC000158606843	524497631	/nfs/dbraw/zinc/49/76/31/524497631.db2.gz	ZYLFOQHRTHWDMM-BLLLJJGKSA-N	0	0	365.361	1.728	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1	ZINC000174836060	524754594	/nfs/dbraw/zinc/75/45/94/524754594.db2.gz	GGTKPWXDHAIYTQ-INIZCTEOSA-N	0	0	370.384	1.873	10	30		FDEERN
CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000175042343	524847930	/nfs/dbraw/zinc/84/79/30/524847930.db2.gz	VBUXXHAKCORPNN-HZPDHXFCSA-N	0	0	356.470	1.881	10	30		FDEERN
C[C@@H]1CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CC[C@H](C)[C@H](O)C3)c2)C[C@@H]1O	ZINC000092978189	524938163	/nfs/dbraw/zinc/93/81/63/524938163.db2.gz	UOAQTNQSTWDUIM-XLQHLMKVSA-N	0	0	374.441	1.881	10	30		FDEERN
N#CCCN(C(=O)CCC(=O)N[C@H]1CCCn2ncnc21)c1ccccc1	ZINC000175713778	524994685	/nfs/dbraw/zinc/99/46/85/524994685.db2.gz	XFIIHLBODZQJIP-INIZCTEOSA-N	0	0	366.425	1.956	10	30		FDEERN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161136313	525041762	/nfs/dbraw/zinc/04/17/62/525041762.db2.gz	YZGSFTTYACKPSJ-AWEZNQCLSA-N	0	0	356.386	1.899	10	30		FDEERN
CCC#CCN1C[C@@H](NC(=O)c2ccc(OC)c(C)c2)C[C@H]1C(=O)NCC	ZINC000096141377	525138793	/nfs/dbraw/zinc/13/87/93/525138793.db2.gz	DNOJQPQEGWDYEM-ROUUACIJSA-N	0	0	371.481	1.726	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2CC)cc1	ZINC000176893378	525194976	/nfs/dbraw/zinc/19/49/76/525194976.db2.gz	ZYTQNJFWKZIWAM-QGZVFWFLSA-N	0	0	372.469	1.484	10	30		FDEERN
C[C@H](C#N)NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000125562970	525214015	/nfs/dbraw/zinc/21/40/15/525214015.db2.gz	LRZLDHGBLIGFME-SNVBAGLBSA-N	0	0	363.361	1.792	10	30		FDEERN
C#CCSCCNC(=O)[C@H]1CCC[C@@H]1C(=O)NCCSCC#C	ZINC000163239536	525381541	/nfs/dbraw/zinc/38/15/41/525381541.db2.gz	HCFWOANSJOLSHI-GJZGRUSLSA-N	0	0	352.525	1.368	10	30		FDEERN
Cc1cnn(CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1	ZINC000118078984	525431128	/nfs/dbraw/zinc/43/11/28/525431128.db2.gz	XDYOGMUZHZXKDD-SFHVURJKSA-N	0	0	352.442	1.611	10	30		FDEERN
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2C)CCN1CCOC	ZINC000178482595	525436748	/nfs/dbraw/zinc/43/67/48/525436748.db2.gz	FLZRTSGRUPEQEF-INIZCTEOSA-N	0	0	358.442	1.374	10	30		FDEERN
COCCN1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1C	ZINC000106107858	525596739	/nfs/dbraw/zinc/59/67/39/525596739.db2.gz	IZEVXBIFONNCNH-NNVNDSJASA-N	0	0	364.534	1.958	10	30		FDEERN
COCCN1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C	ZINC000106108199	525597438	/nfs/dbraw/zinc/59/74/38/525597438.db2.gz	CZBHTNRXPNSVOA-MSOLQXFVSA-N	0	0	358.486	1.974	10	30		FDEERN
CCOc1cc(C)nc(N2CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC2)n1	ZINC000106153476	525636812	/nfs/dbraw/zinc/63/68/12/525636812.db2.gz	GMLTXXOIWZJDPL-HNNXBMFYSA-N	0	0	374.489	1.314	10	30		FDEERN
C=CCNC(=O)[C@H](C)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1	ZINC000106159538	525641565	/nfs/dbraw/zinc/64/15/65/525641565.db2.gz	ZULHTSRSIRKFQS-ZDUSSCGKSA-N	0	0	353.898	1.444	10	30		FDEERN
C#CCSCCNC(=O)C1CCC(C(=O)NCCSCC#C)CC1	ZINC000130067156	525718689	/nfs/dbraw/zinc/71/86/89/525718689.db2.gz	JVJAOIRUXVARBO-UHFFFAOYSA-N	0	0	366.552	1.758	10	30		FDEERN
C=CCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000181621460	525882254	/nfs/dbraw/zinc/88/22/54/525882254.db2.gz	QTHHIDYIBNMNFG-HQHQJUQOSA-N	0	0	373.497	1.612	10	30		FDEERN
Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000185098442	536198455	/nfs/dbraw/zinc/19/84/55/536198455.db2.gz	DMGLQWVGBNZGCY-LBPRGKRZSA-N	0	0	351.819	1.925	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c(Cl)c1	ZINC000186184288	536228000	/nfs/dbraw/zinc/22/80/00/536228000.db2.gz	SGIJCWRNPZANPF-UHFFFAOYSA-N	0	0	353.831	1.501	10	30		FDEERN
N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000186296115	536231322	/nfs/dbraw/zinc/23/13/22/536231322.db2.gz	QGIOJEHDHFNCQD-ZFWWWQNUSA-N	0	0	373.409	1.932	10	30		FDEERN
Cc1cc(C)c2ncc(C#N)c(N3CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C3)c2c1	ZINC000263377602	537024797	/nfs/dbraw/zinc/02/47/97/537024797.db2.gz	BRVYHNOIPFRBLL-INIZCTEOSA-N	0	0	368.437	1.945	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(C#N)c(C)c2)C1	ZINC000263464971	537035087	/nfs/dbraw/zinc/03/50/87/537035087.db2.gz	FWTVWHVAWVLMAS-UHFFFAOYSA-N	0	0	351.428	1.083	10	30		FDEERN
CCn1cc([C@@H]2CN(C(=O)Cc3cccc(OCC#N)c3)CCO2)cn1	ZINC000191711225	537211025	/nfs/dbraw/zinc/21/10/25/537211025.db2.gz	UMONVFGIGNHCMO-SFHVURJKSA-N	0	0	354.410	1.948	10	30		FDEERN
CCn1cc([C@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)CCO2)cn1	ZINC000191751762	537212047	/nfs/dbraw/zinc/21/20/47/537212047.db2.gz	KDRWZIKIRQOKQC-GOSISDBHSA-N	0	0	353.378	1.583	10	30		FDEERN
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1CN(C)CCO1	ZINC000191969211	537216345	/nfs/dbraw/zinc/21/63/45/537216345.db2.gz	IRGCTOVTTWFANI-INIZCTEOSA-N	0	0	359.470	1.924	10	30		FDEERN
CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192698083	537230691	/nfs/dbraw/zinc/23/06/91/537230691.db2.gz	YRNJJFMTSXOFOB-CQSZACIVSA-N	0	0	359.430	1.180	10	30		FDEERN
N#CC1([C@](O)(C#Cc2ccccc2S(N)(=O)=O)c2ccccc2)CC1	ZINC000584597100	551523851	/nfs/dbraw/zinc/52/38/51/551523851.db2.gz	ZQMLMTLBVKANNS-IBGZPJMESA-N	0	0	352.415	1.877	10	30		FDEERN
NC(=O)c1nn(-c2cccc(C#C[C@]3(O)CCCC3=O)c2)c2ccccc12	ZINC000584617833	551524138	/nfs/dbraw/zinc/52/41/38/551524138.db2.gz	MYMIPUOCKZMJRL-OAQYLSRUSA-N	0	0	359.385	1.960	10	30		FDEERN
Cc1ccc(S(=O)(=O)O[C@H]2[C@@H]3OC[C@@H](O3)[C@@H]3OC(C)(C)O[C@H]32)cc1	ZINC000616583203	555319939	/nfs/dbraw/zinc/31/99/39/555319939.db2.gz	ZRGAFSDLQODLRO-XLWJZTARSA-N	0	0	356.396	1.344	10	30		FDEERN
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1c1ncc[nH]1	ZINC000328633370	571129543	/nfs/dbraw/zinc/12/95/43/571129543.db2.gz	SOMKTGURARGPAL-AWEZNQCLSA-N	0	0	365.846	1.612	10	30		FDEERN
C=C(Br)CNC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21	ZINC000120416693	671689196	/nfs/dbraw/zinc/68/91/96/671689196.db2.gz	CYSDHVHNINGPOB-VIFPVBQESA-N	0	0	372.244	1.138	10	30		FDEERN
C=C(Br)COC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1	ZINC000172099540	672063694	/nfs/dbraw/zinc/06/36/94/672063694.db2.gz	PKPCUQLYTWTWRW-WCQYABFASA-N	0	0	356.220	1.781	10	30		FDEERN
C=C(Br)CNC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1	ZINC000174376112	672093475	/nfs/dbraw/zinc/09/34/75/672093475.db2.gz	JRTQLUUZWLGVSS-NSHDSACASA-N	0	0	369.267	1.695	10	30		FDEERN
C=CCS(=O)(=O)Nc1nc2ccccc2n1CCN1CCOCC1	ZINC000223421211	672412754	/nfs/dbraw/zinc/41/27/54/672412754.db2.gz	INZITULKCUUKNZ-UHFFFAOYSA-N	0	0	350.444	1.296	10	30		FDEERN
CCN1CCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccccc1	ZINC000329035579	676616683	/nfs/dbraw/zinc/61/66/83/676616683.db2.gz	RBSOTGIWWPZFGI-ULQDDVLXSA-N	0	0	366.483	1.840	10	30		FDEERN
C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC=CC12CCCC2	ZINC000913196043	861653565	/nfs/dbraw/zinc/65/35/65/861653565.db2.gz	SRGPXMUGSAACOJ-CYBMUJFWSA-N	0	0	359.451	1.825	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])C1	ZINC000702806335	884229922	/nfs/dbraw/zinc/22/99/22/884229922.db2.gz	KUPJLBGBBBWGOJ-NEPJUHHUSA-N	0	0	363.374	1.501	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ccc(C#N)cc2)C1	ZINC000707546072	886893060	/nfs/dbraw/zinc/89/30/60/886893060.db2.gz	WEEDKFRPMPZCIO-JKSUJKDBSA-N	0	0	359.426	1.445	10	30		FDEERN
C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000190986561	178034625	/nfs/dbraw/zinc/03/46/25/178034625.db2.gz	IFIGQBJAFOLCNP-SECBINFHSA-N	0	0	361.345	1.476	10	30		FDEERN
Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)C2)cn1	ZINC000192958438	178139954	/nfs/dbraw/zinc/13/99/54/178139954.db2.gz	GAJJVCJZNLLVSN-AWEZNQCLSA-N	0	0	368.441	1.803	10	30		FDEERN
NS(=O)(=O)c1ccc(N=NCc2c(F)cccc2F)c([N+](=O)[O-])c1	ZINC000005415296	204208097	/nfs/dbraw/zinc/20/80/97/204208097.db2.gz	FFOZILMKOKOBNR-REZTVBANSA-N	0	0	356.310	1.966	10	30		FDEERN
Nc1nonc1C(=NOC(=O)Nc1ccc(Cl)cc1)N1CCOCC1	ZINC000059416990	205281088	/nfs/dbraw/zinc/28/10/88/205281088.db2.gz	LYBFIUANCSTTPU-DEDYPNTBSA-N	0	0	366.765	1.548	10	30		FDEERN
CC(C)(NCc1cccc(C#N)c1)c1nc2c(c(C(N)=O)n1)OCCO2	ZINC000065293238	205334670	/nfs/dbraw/zinc/33/46/70/205334670.db2.gz	MEIIBJAHYPEOCM-UHFFFAOYSA-N	0	0	353.382	1.243	10	30		FDEERN
C(=NN=c1cc(N2CCOCC2)[nH]c(N2CCOCC2)n1)c1ccco1	ZINC000096430095	132225105	/nfs/dbraw/zinc/22/51/05/132225105.db2.gz	VFIYWCDDMYQLKV-QGOAFFKASA-N	0	0	358.402	1.189	10	30		FDEERN
Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000081073340	172182470	/nfs/dbraw/zinc/18/24/70/172182470.db2.gz	YQFMRUMNNXLXJA-ZDUSSCGKSA-N	0	0	351.819	1.925	10	30		FDEERN
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCN(c2cccnn2)C1	ZINC000118672609	172722399	/nfs/dbraw/zinc/72/23/99/172722399.db2.gz	JQTKVCQJVIJCIY-GOEBONIOSA-N	0	0	351.410	1.901	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1N1CCOCC1	ZINC000125859236	173021065	/nfs/dbraw/zinc/02/10/65/173021065.db2.gz	UYRJWHOQBLJBBR-WFASDCNBSA-N	0	0	369.874	1.553	10	30		FDEERN
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)c(F)c1	ZINC000161158897	173732043	/nfs/dbraw/zinc/73/20/43/173732043.db2.gz	DAAOASNLSCLPFY-CQSZACIVSA-N	0	0	369.404	1.135	10	30		FDEERN
Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000176011343	174044188	/nfs/dbraw/zinc/04/41/88/174044188.db2.gz	ZTULORDXCCMHEO-HNNXBMFYSA-N	0	0	355.373	1.832	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)n1	ZINC000177622292	174145013	/nfs/dbraw/zinc/14/50/13/174145013.db2.gz	GQQDWXVXJRJHHS-GFCCVEGCSA-N	0	0	368.397	1.094	10	30		FDEERN
Cn1nncc1S(=O)(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000330145352	259129019	/nfs/dbraw/zinc/12/90/19/259129019.db2.gz	LCLBGSIXTKHIIW-UHFFFAOYSA-N	0	0	361.427	1.355	10	30		FDEERN
COc1ccc(NC(=O)Cn2c(N)nnc2SCC#N)cc1Cl	ZINC000001923410	518237098	/nfs/dbraw/zinc/23/70/98/518237098.db2.gz	AWZBXWOXFKFKPF-UHFFFAOYSA-N	0	0	352.807	1.777	10	30		FDEERN
CC(=O)C/N=C1/N=C(N(CCN2CCOCC2)Cc2ccncc2)S1	ZINC000020161528	519360729	/nfs/dbraw/zinc/36/07/29/519360729.db2.gz	LMJMFYALJUZXFL-MNDPQUGUSA-N	0	0	361.471	1.264	10	30		FDEERN
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCC(=O)NO	ZINC000070603600	522008749	/nfs/dbraw/zinc/00/87/49/522008749.db2.gz	GLRPMXSBLVLMJL-UHFFFAOYSA-N	0	0	365.455	1.860	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1F	ZINC000045263858	522062408	/nfs/dbraw/zinc/06/24/08/522062408.db2.gz	HIJIIEJRGNAQHM-RYUDHWBXSA-N	0	0	356.419	1.539	10	30		FDEERN
C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCCN(c2ncccc2C#N)CC1	ZINC000066437551	523059408	/nfs/dbraw/zinc/05/94/08/523059408.db2.gz	KHNCNOUABMFTBJ-CQSZACIVSA-N	0	0	372.473	1.478	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)n1	ZINC000110894452	524155045	/nfs/dbraw/zinc/15/50/45/524155045.db2.gz	WYXNPCIXIDPHKT-UONOGXRCSA-N	0	0	369.425	1.922	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccccc3OCC#N)CCO2)n1	ZINC000110904102	524159737	/nfs/dbraw/zinc/15/97/37/524159737.db2.gz	BJQPMWMDWPQNKM-MRXNPFEDSA-N	0	0	354.410	1.944	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3ccccc3C#N)CCO2)n1	ZINC000157434977	524273908	/nfs/dbraw/zinc/27/39/08/524273908.db2.gz	JMIFBRFHBLDCHF-MRXNPFEDSA-N	0	0	360.439	1.461	10	30		FDEERN
Cc1nnc([C@H]2CN([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CCO2)[nH]1	ZINC000173684839	524434457	/nfs/dbraw/zinc/43/44/57/524434457.db2.gz	MDXYGZSZAAVHRE-RGUMBQAQSA-N	0	0	374.489	1.806	10	30		FDEERN
CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCN1C[C@@H](C)O	ZINC000122720587	524601030	/nfs/dbraw/zinc/60/10/30/524601030.db2.gz	IUVLGRVREVBMGV-IUODEOHRSA-N	0	0	355.435	1.163	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2	ZINC000114871055	524900633	/nfs/dbraw/zinc/90/06/33/524900633.db2.gz	ORUUTVDQLNJBFS-LBPRGKRZSA-N	0	0	372.816	1.435	10	30		FDEERN
C#Cc1cccc(N(C)C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1	ZINC000115215132	524952822	/nfs/dbraw/zinc/95/28/22/524952822.db2.gz	CJVHHDGCISXZPJ-PKOBYXMFSA-N	0	0	350.422	1.974	10	30		FDEERN
Cc1ccc(C#N)c(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1	ZINC000161291381	525074956	/nfs/dbraw/zinc/07/49/56/525074956.db2.gz	QLUWCFAAOXUKML-SFHVURJKSA-N	0	0	352.438	1.824	10	30		FDEERN
Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)cn1	ZINC000116228918	525119566	/nfs/dbraw/zinc/11/95/66/525119566.db2.gz	XQSCBRKFCIDXEM-GFCCVEGCSA-N	0	0	357.801	1.900	10	30		FDEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1	ZINC000116227928	525119671	/nfs/dbraw/zinc/11/96/71/525119671.db2.gz	NFTKRKJKKRQSFC-OAHLLOKOSA-N	0	0	374.466	1.514	10	30		FDEERN
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@H](NC(C)=O)C1	ZINC000125223234	525168161	/nfs/dbraw/zinc/16/81/61/525168161.db2.gz	AUYOLSHACDJZQA-RDJZCZTQSA-N	0	0	372.469	1.931	10	30		FDEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1	ZINC000125482586	525205312	/nfs/dbraw/zinc/20/53/12/525205312.db2.gz	PKQACOMPFLPUDQ-UHFFFAOYSA-N	0	0	374.466	1.894	10	30		FDEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C1	ZINC000178461949	525434027	/nfs/dbraw/zinc/43/40/27/525434027.db2.gz	YEDQOKDNWHNUQY-OAHLLOKOSA-N	0	0	356.426	1.713	10	30		FDEERN
C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)c1	ZINC000165558793	525555647	/nfs/dbraw/zinc/55/56/47/525555647.db2.gz	NSGRTDXRFLWDPU-CYBMUJFWSA-N	0	0	369.425	1.995	10	30		FDEERN
CC[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCN1CCOC	ZINC000128619755	525561271	/nfs/dbraw/zinc/56/12/71/525561271.db2.gz	OASDOPMEHBFKFS-QGZVFWFLSA-N	0	0	365.499	1.375	10	30		FDEERN
CN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000106078397	525564419	/nfs/dbraw/zinc/56/44/19/525564419.db2.gz	BNFGALWHZMSXHM-QGZVFWFLSA-N	0	0	350.426	1.888	10	30		FDEERN
CC(C)[C@](C)(C#N)NC(=O)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000106145739	525632205	/nfs/dbraw/zinc/63/22/05/525632205.db2.gz	DBQPPDFXVBABBP-FQEVSTJZSA-N	0	0	374.533	1.810	10	30		FDEERN
CC(C)c1nnc2n1C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)CC2	ZINC000181732868	525911560	/nfs/dbraw/zinc/91/15/60/525911560.db2.gz	LYUKMGBZAGFEPE-OAHLLOKOSA-N	0	0	359.455	1.708	10	30		FDEERN
CC(C)c1nnc(CS(=O)(=O)CC(=O)Nc2ccc(C#N)cc2)n1C	ZINC000182391039	526157311	/nfs/dbraw/zinc/15/73/11/526157311.db2.gz	SWEHMYPJWRTNPZ-UHFFFAOYSA-N	0	0	361.427	1.364	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)CC2	ZINC000183664137	536024768	/nfs/dbraw/zinc/02/47/68/536024768.db2.gz	UKUFOAYPSSHYPY-NSHDSACASA-N	0	0	365.846	1.659	10	30		FDEERN
Cc1noc([C@@H]2COCCN2CC(=O)Nc2ccc(C#N)c(Cl)c2)n1	ZINC000185085160	536198053	/nfs/dbraw/zinc/19/80/53/536198053.db2.gz	FHGOVEAITBJLBI-AWEZNQCLSA-N	0	0	361.789	1.915	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000185126368	536199471	/nfs/dbraw/zinc/19/94/71/536199471.db2.gz	RUZZFXDKBMGQCA-MGPUTAFESA-N	0	0	356.422	1.791	10	30		FDEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1	ZINC000186176037	536227945	/nfs/dbraw/zinc/22/79/45/536227945.db2.gz	NFYFLOMUQRAMGL-UHFFFAOYSA-N	0	0	353.831	1.501	10	30		FDEERN
N#Cc1cc(Cl)ccc1CN1CCN(c2ccc3nncn3n2)CC1	ZINC000186966735	536250659	/nfs/dbraw/zinc/25/06/59/536250659.db2.gz	DTZXJZUQGBSKEH-UHFFFAOYSA-N	0	0	353.817	1.972	10	30		FDEERN
C[C@@H](CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)N1CCCCC1=O	ZINC000249106972	537229345	/nfs/dbraw/zinc/22/93/45/537229345.db2.gz	PROOKXVUSRNMSQ-LSDHHAIUSA-N	0	0	370.457	1.176	10	30		FDEERN
C=CCNC(=O)NC(=O)CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1	ZINC000195400286	537407767	/nfs/dbraw/zinc/40/77/67/537407767.db2.gz	FHJPBUIRHHRWRF-GFCCVEGCSA-N	0	0	366.487	1.826	10	30		FDEERN
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1ccccc1C#N	ZINC000583616319	551377026	/nfs/dbraw/zinc/37/70/26/551377026.db2.gz	SHNSWIKTCQYEKG-VYDXJSESSA-N	0	0	350.440	1.499	10	30		FDEERN
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)N2CCN(CC#N)CC2)C1	ZINC000174345224	672093130	/nfs/dbraw/zinc/09/31/30/672093130.db2.gz	VMZNYSCXHZXXGW-GJZGRUSLSA-N	0	0	350.463	1.738	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1C	ZINC000245649532	672456430	/nfs/dbraw/zinc/45/64/30/672456430.db2.gz	CFWFXQBSAFTTJG-CYBMUJFWSA-N	0	0	371.890	1.943	10	30		FDEERN
C[C@@H]1COC[C@H](C)N1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000245914503	672472355	/nfs/dbraw/zinc/47/23/55/672472355.db2.gz	WDFBQJKZXMVLCX-OWCLPIDISA-N	0	0	362.499	1.566	10	30		FDEERN
C=CCNC(=O)CNC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1	ZINC000246102311	672490084	/nfs/dbraw/zinc/49/00/84/672490084.db2.gz	LPWCFBDMMJAQFB-UONOGXRCSA-N	0	0	366.487	1.111	10	30		FDEERN
C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1	ZINC000329166955	676623165	/nfs/dbraw/zinc/62/31/65/676623165.db2.gz	IHYLWMYHXAZOHO-MQIPJXDCSA-N	0	0	372.437	1.971	10	30		FDEERN
CCn1cc([C@@H]2CN(C[C@H](O)COc3ccc(C#N)cc3)CCO2)cn1	ZINC000190726305	178019415	/nfs/dbraw/zinc/01/94/15/178019415.db2.gz	HUDOJEUBXXWLOR-HKUYNNGSSA-N	0	0	356.426	1.588	10	30		FDEERN
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1	ZINC000262958244	178835284	/nfs/dbraw/zinc/83/52/84/178835284.db2.gz	JVYSAUSBHIJACA-HNNXBMFYSA-N	0	0	365.455	1.426	10	30		FDEERN
C=C(C)C(=O)O[C@@H]1C[C@H](CO)CCC/C(CO)=C/[C@@H]2OC(=O)C(=C)[C@H]21	ZINC000031159371	291032697	/nfs/dbraw/zinc/03/26/97/291032697.db2.gz	RJHSXEZOOUJAQE-HYCSKJFOSA-N	0	0	350.411	1.673	10	30		FDEERN
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@@]2(C)CO[C@H](O)[C@H]21)COC3=O	ZINC000004097947	291034230	/nfs/dbraw/zinc/03/42/30/291034230.db2.gz	BTRYMTRPHJVMRG-KTSQQWMFSA-N	0	0	362.422	1.197	10	30	biogenic,in-vitro	FDEERN
CSc1nnc(N)n1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000040171997	205061720	/nfs/dbraw/zinc/06/17/20/205061720.db2.gz	ULHSZNWURBMGCR-UHFFFAOYSA-N	0	0	354.399	1.278	10	30		FDEERN
CCC[C@@H](NS(=O)(=O)c1sccc1Br)/C(N)=N/O	ZINC000042524623	205095873	/nfs/dbraw/zinc/09/58/73/205095873.db2.gz	MYFKZEXMWGPIPU-SSDOTTSWSA-N	0	0	356.267	1.704	10	30		FDEERN
N=C(NN=Cc1cccc([N+](=O)[O-])c1)NN=Cc1cccc([N+](=O)[O-])c1	ZINC000059369507	205281819	/nfs/dbraw/zinc/28/18/19/205281819.db2.gz	BWATXXDGMLGWBU-XFQWXJFMSA-N	0	0	355.314	1.985	10	30		FDEERN
O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000226862831	206122994	/nfs/dbraw/zinc/12/29/94/206122994.db2.gz	KUYHSLALJIOYBX-UHFFFAOYSA-N	0	0	366.282	1.650	10	30		FDEERN
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cc1Cl	ZINC000172764283	258284698	/nfs/dbraw/zinc/28/46/98/258284698.db2.gz	PYOYHSJKQVJEFB-AWEZNQCLSA-N	0	0	362.817	1.083	10	30		FDEERN
N#Cc1ccc(F)c(CNC(=O)NC2CCN(c3ncccn3)CC2)c1	ZINC000075436792	172091455	/nfs/dbraw/zinc/09/14/55/172091455.db2.gz	IAERLDBJOULELS-UHFFFAOYSA-N	0	0	354.389	1.956	10	30		FDEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCOc1ccc(C#N)cc1	ZINC000087126228	172225569	/nfs/dbraw/zinc/22/55/69/172225569.db2.gz	MRAZRRXXMCYWCT-OAHLLOKOSA-N	0	0	354.414	1.925	10	30		FDEERN
CCCC(=O)N[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000102937042	172356903	/nfs/dbraw/zinc/35/69/03/172356903.db2.gz	KMEGVVBFJQNFJH-NVXWUHKLSA-N	0	0	368.437	1.571	10	30		FDEERN
CC(C)Nc1ncnc2c1ncn2C[C@@H](O)COc1ccc(C#N)cc1	ZINC000116400696	172669670	/nfs/dbraw/zinc/66/96/70/172669670.db2.gz	CUQZCJGTNZEGOZ-CQSZACIVSA-N	0	0	352.398	1.958	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1N1CCOCC1	ZINC000126086475	173028919	/nfs/dbraw/zinc/02/89/19/173028919.db2.gz	VHOHJBODELIMLM-NHYWBVRUSA-N	0	0	371.409	1.178	10	30		FDEERN
C[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)C[C@H]1N1CCOCC1	ZINC000175821079	174030558	/nfs/dbraw/zinc/03/05/58/174030558.db2.gz	GGWSHWNADLXWFF-MAUKXSAKSA-N	0	0	358.442	1.299	10	30		FDEERN
N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CCCn3ncnc32)CC1	ZINC000177337075	174122089	/nfs/dbraw/zinc/12/20/89/174122089.db2.gz	JULNMHDPMDJFJO-INIZCTEOSA-N	0	0	365.441	1.907	10	30		FDEERN
Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C)c3C#N)C2)no1	ZINC000177594875	174142900	/nfs/dbraw/zinc/14/29/00/174142900.db2.gz	HEXZTIUZFSUONH-AWEZNQCLSA-N	0	0	367.409	1.978	10	30		FDEERN
N#Cc1cccc(NC(=O)C(=O)N2CCC(Nc3cccnn3)CC2)c1	ZINC000177964426	174165891	/nfs/dbraw/zinc/16/58/91/174165891.db2.gz	OJYRHZQHQKNFKW-UHFFFAOYSA-N	0	0	350.382	1.390	10	30		FDEERN
Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000177977087	174166422	/nfs/dbraw/zinc/16/64/22/174166422.db2.gz	XGAIUSXJVWSRKD-OAHLLOKOSA-N	0	0	355.373	1.832	10	30		FDEERN
N#Cc1cc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)c[nH]1	ZINC000181302280	174215660	/nfs/dbraw/zinc/21/56/60/174215660.db2.gz	KPKBIXKWJWYCCH-QGZVFWFLSA-N	0	0	354.410	1.084	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1Cl	ZINC000173998150	258316700	/nfs/dbraw/zinc/31/67/00/258316700.db2.gz	NVUHGWINYKSTSZ-CYBMUJFWSA-N	0	0	355.847	1.307	10	30		FDEERN
COCCN1C(=O)N[C@@H]2CN(c3c(C#N)cnc4ccccc43)CC[C@@H]21	ZINC000299744870	259020485	/nfs/dbraw/zinc/02/04/85/259020485.db2.gz	VBPSHPGNNMLGHK-SJORKVTESA-N	0	0	351.410	1.725	10	30		FDEERN
N#Cc1cc(NC[C@H](O)CN2CCOCC2)nc2ccc([N+](=O)[O-])cc12	ZINC000301732705	259032705	/nfs/dbraw/zinc/03/27/05/259032705.db2.gz	PYBRQVAYBYPKQX-AWEZNQCLSA-N	0	0	357.370	1.120	10	30		FDEERN
CCc1nnc(NCC2(CS(C)(=O)=O)CCOCC2)c(C#N)c1CC	ZINC000301855712	259035015	/nfs/dbraw/zinc/03/50/15/259035015.db2.gz	YWPRTOMZQWHTRI-UHFFFAOYSA-N	0	0	366.487	1.726	10	30		FDEERN
Cc1noc(C)c1S(=O)(=O)N1CCN(c2c(C#N)cccc2C#N)CC1	ZINC000302860946	259046922	/nfs/dbraw/zinc/04/69/22/259046922.db2.gz	UVUZWRKFOIGAHR-UHFFFAOYSA-N	0	0	371.422	1.546	10	30		FDEERN
CN(C)c1nccc([C@H]2CN(S(=O)(=O)c3ccccc3C#N)CCO2)n1	ZINC000372401657	260858968	/nfs/dbraw/zinc/85/89/68/260858968.db2.gz	PYUQCWSKNVXDSU-OAHLLOKOSA-N	0	0	373.438	1.176	10	30		FDEERN
C=CCN1C(=O)[C@@]2(c3ccccc3-c3oc(N)nc32)C(C(=O)OC)=C1C	ZINC000020569062	518846666	/nfs/dbraw/zinc/84/66/66/518846666.db2.gz	SZMLNMWQVXDOCH-IBGZPJMESA-N	0	0	351.362	1.999	10	30		FDEERN
NC(=O)c1[nH]cnc1NC(=NCCCN1CCOCC1)Nc1ccccc1	ZINC000033431774	519587011	/nfs/dbraw/zinc/58/70/11/519587011.db2.gz	OYKOUZARQMVQBZ-UHFFFAOYSA-N	0	0	371.445	1.111	10	30		FDEERN
N#Cc1ccc(C(=O)N2CCN(c3cnn4c(c3)nnc4C3CC3)CC2)cc1	ZINC000065282253	522802904	/nfs/dbraw/zinc/80/29/04/522802904.db2.gz	GITLTHNMISAHLX-UHFFFAOYSA-N	0	0	373.420	1.836	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)CC2	ZINC000172026880	524097016	/nfs/dbraw/zinc/09/70/16/524097016.db2.gz	WSVDQMCSVGZLFQ-CQSZACIVSA-N	0	0	354.414	1.557	10	30		FDEERN
Cc1ccc(N2CCCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)nn1	ZINC000136760761	524212174	/nfs/dbraw/zinc/21/21/74/524212174.db2.gz	ZSMGNYOMZTYZEA-UHFFFAOYSA-N	0	0	364.405	1.604	10	30		FDEERN
C#CCSCCNC(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1	ZINC000121507882	524280984	/nfs/dbraw/zinc/28/09/84/524280984.db2.gz	OINDXJCGWIRGOS-CYBMUJFWSA-N	0	0	351.476	1.387	10	30		FDEERN
Cc1nnc([C@@H]2CN(CC(=O)N(CCC#N)c3ccccc3)CCO2)[nH]1	ZINC000173666513	524431177	/nfs/dbraw/zinc/43/11/77/524431177.db2.gz	SZPFTAGZSMQXIO-INIZCTEOSA-N	0	0	354.414	1.433	10	30		FDEERN
N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)c1	ZINC000158503570	524479555	/nfs/dbraw/zinc/47/95/55/524479555.db2.gz	SEGONTJRPRBLID-OLZOCXBDSA-N	0	0	359.245	1.903	10	30		FDEERN
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000112652888	524525276	/nfs/dbraw/zinc/52/52/76/524525276.db2.gz	PKYKCSBSKKAKEI-CQSZACIVSA-N	0	0	355.398	1.449	10	30		FDEERN
COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cccc(OCC#N)c1	ZINC000089777073	524527709	/nfs/dbraw/zinc/52/77/09/524527709.db2.gz	ZGYNVEDNKVCCBU-OAHLLOKOSA-N	0	0	355.398	1.521	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1	ZINC000113896254	524723941	/nfs/dbraw/zinc/72/39/41/524723941.db2.gz	SUZLJXDBDFIGDZ-KRWDZBQOSA-N	0	0	372.450	1.950	10	30		FDEERN
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000114442077	524802297	/nfs/dbraw/zinc/80/22/97/524802297.db2.gz	OPMGLPCKPLZWPD-NVXWUHKLSA-N	0	0	366.421	1.634	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3C)CCO2)n1	ZINC000114740498	524868343	/nfs/dbraw/zinc/86/83/43/524868343.db2.gz	ARBRNQHJHYEADQ-KRWDZBQOSA-N	0	0	374.466	1.770	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)CC2	ZINC000114862028	524896932	/nfs/dbraw/zinc/89/69/32/524896932.db2.gz	XPVOIHPUSQGPKT-HNNXBMFYSA-N	0	0	369.473	1.631	10	30		FDEERN
Cn1cc([C@@H]2[C@H](C(=O)Nc3ccc(F)c(C#N)c3)CCC(=O)N2C)cn1	ZINC000115214974	524953910	/nfs/dbraw/zinc/95/39/10/524953910.db2.gz	XJTMAFKDFBYRQQ-RHSMWYFYSA-N	0	0	355.373	1.979	10	30		FDEERN
Cc1cnn(CCNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1	ZINC000161267974	525068931	/nfs/dbraw/zinc/06/89/31/525068931.db2.gz	WPKXVLVSIHLOIP-UHFFFAOYSA-N	0	0	355.398	1.605	10	30		FDEERN
Cc1cnn(CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1	ZINC000118077994	525430523	/nfs/dbraw/zinc/43/05/23/525430523.db2.gz	VDEVZIZSMUFPRU-UHFFFAOYSA-N	0	0	356.405	1.734	10	30		FDEERN
Cc1nnc([C@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CCO2)[nH]1	ZINC000164064625	525474218	/nfs/dbraw/zinc/47/42/18/525474218.db2.gz	USMKKVQSUKYFAH-OAHLLOKOSA-N	0	0	355.398	1.742	10	30		FDEERN
CNC(=O)[C@@H]1CCCN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000179231093	525548292	/nfs/dbraw/zinc/54/82/92/525548292.db2.gz	HPVKLZGFRCHFBT-AWEZNQCLSA-N	0	0	353.344	1.977	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(CCC(=O)Nc3ccccc3C#N)CC2)n1	ZINC000106133130	525625041	/nfs/dbraw/zinc/62/50/41/525625041.db2.gz	LIXOFULQHUPDHR-CQSZACIVSA-N	0	0	368.441	1.957	10	30		FDEERN
CN(C(=O)CN1CCCN(Cc2cnn(C)c2)CC1)C1(C#N)CCCCC1	ZINC000106157767	525643252	/nfs/dbraw/zinc/64/32/52/525643252.db2.gz	GINBPHMRVPHYHT-UHFFFAOYSA-N	0	0	372.517	1.613	10	30		FDEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)CC2	ZINC000171119370	525857535	/nfs/dbraw/zinc/85/75/35/525857535.db2.gz	KKWDITFFUWAFNP-HNNXBMFYSA-N	0	0	366.425	1.134	10	30		FDEERN
CC(C)N1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000155662847	525936782	/nfs/dbraw/zinc/93/67/82/525936782.db2.gz	VEIKVMHZOONDHG-YOEHRIQHSA-N	0	0	363.483	1.318	10	30		FDEERN
C#CCSCCNC(=O)N1CCCN(Cc2cnn(CCC)c2)CC1	ZINC000120498073	526086522	/nfs/dbraw/zinc/08/65/22/526086522.db2.gz	PNMFFEYVCNOKIZ-UHFFFAOYSA-N	0	0	363.531	1.877	10	30		FDEERN
N#CCNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1	ZINC000183526899	535997563	/nfs/dbraw/zinc/99/75/63/535997563.db2.gz	KUMMVLHQCCBUET-CQSZACIVSA-N	0	0	361.448	1.503	10	30		FDEERN
N#Cc1cccnc1-n1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1	ZINC000184576840	536165843	/nfs/dbraw/zinc/16/58/43/536165843.db2.gz	RNEVVDPLOLNGHB-INIZCTEOSA-N	0	0	351.414	1.841	10	30		FDEERN
Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000185098462	536198482	/nfs/dbraw/zinc/19/84/82/536198482.db2.gz	DMGLQWVGBNZGCY-GFCCVEGCSA-N	0	0	351.819	1.925	10	30		FDEERN
CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)C12CCOCC2	ZINC000185149184	536200443	/nfs/dbraw/zinc/20/04/43/536200443.db2.gz	WDZPPQRRPOPFJH-HOTGVXAUSA-N	0	0	368.430	1.950	10	30		FDEERN
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1nnc2n1CCCC2	ZINC000185858154	536219534	/nfs/dbraw/zinc/21/95/34/536219534.db2.gz	WPOHMWBYUDXAPK-LLVKDONJSA-N	0	0	361.427	1.534	10	30		FDEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000188295026	536289037	/nfs/dbraw/zinc/28/90/37/536289037.db2.gz	GMBSCWXZOSXRDH-AWEZNQCLSA-N	0	0	352.398	1.343	10	30		FDEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)CC2	ZINC000188292803	536289046	/nfs/dbraw/zinc/28/90/46/536289046.db2.gz	BHOIEIGNTMVNHC-ZDUSSCGKSA-N	0	0	370.388	1.482	10	30		FDEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000188296898	536289247	/nfs/dbraw/zinc/28/92/47/536289247.db2.gz	HSAZQEHODSLKJW-AWEZNQCLSA-N	0	0	366.425	1.651	10	30		FDEERN
CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1	ZINC000189452555	537049200	/nfs/dbraw/zinc/04/92/00/537049200.db2.gz	SHLLYUJCRHAKFS-AWEZNQCLSA-N	0	0	364.833	1.065	10	30		FDEERN
C/C1=C/[C@@H]2[C@H](CC[C@@]3(CO3)[C@@H](O)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(O)C1=O)C2(C)C	ZINC000200246814	537429646	/nfs/dbraw/zinc/42/96/46/537429646.db2.gz	VEFQDSXSELSHMX-HMZDNQSVSA-N	0	0	350.455	1.446	10	30		FDEERN
N#CN=C(Nc1ccccc1I)N1CCOCC1	ZINC000584607907	551523636	/nfs/dbraw/zinc/52/36/36/551523636.db2.gz	PWIQJZHHJYYRBT-UHFFFAOYSA-N	0	0	356.167	1.872	10	30		FDEERN
Cn1cc(C(N)=O)c([C@H]2CCCN(S(=O)(=O)c3ccccc3C#N)C2)n1	ZINC000328603858	571323825	/nfs/dbraw/zinc/32/38/25/571323825.db2.gz	HHAXXPVIVLOGMR-ZDUSSCGKSA-N	0	0	373.438	1.743	10	30		FDEERN
COc1ncc(Cl)c(N2CC[C@@](NC(C)=O)(c3noc(C)n3)C2)n1	ZINC000328609730	571324162	/nfs/dbraw/zinc/32/41/62/571324162.db2.gz	FQIGUUYQEUMEEX-AWEZNQCLSA-N	0	0	352.782	1.912	10	30		FDEERN
C[C@H](C#N)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1	ZINC000068925899	671373762	/nfs/dbraw/zinc/37/37/62/671373762.db2.gz	IXMIKZXYQABUCO-MRVPVSSYSA-N	0	0	360.233	1.341	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1N1CCOCC1	ZINC000246101916	672489734	/nfs/dbraw/zinc/48/97/34/672489734.db2.gz	MPICTOVTVQTLDB-IUODEOHRSA-N	0	0	369.874	1.553	10	30		FDEERN
NS(=O)(=O)c1ccc(N=NCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1	ZINC000004932822	204178090	/nfs/dbraw/zinc/17/80/90/204178090.db2.gz	RVXISVNJBQTMKP-REZTVBANSA-N	0	0	356.310	1.966	10	30		FDEERN
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O	ZINC000038423106	205039953	/nfs/dbraw/zinc/03/99/53/205039953.db2.gz	WZYJEEIAFBHYJS-SONIPUFESA-N	0	0	362.422	1.195	10	30	biogenic,in-vitro	FDEERN
C[C@H](C/C(N)=N/O)N(C)S(=O)(=O)c1sccc1Br	ZINC000063091878	205292177	/nfs/dbraw/zinc/29/21/77/205292177.db2.gz	RVDMODIBJNYHHI-ZCFIWIBFSA-N	0	0	356.267	1.656	10	30		FDEERN
Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000081073343	172182498	/nfs/dbraw/zinc/18/24/98/172182498.db2.gz	YQFMRUMNNXLXJA-CYBMUJFWSA-N	0	0	351.819	1.925	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cccc(C#N)c3)CCO2)n1	ZINC000111344863	172548607	/nfs/dbraw/zinc/54/86/07/172548607.db2.gz	WESXKLWVMHTILJ-INIZCTEOSA-N	0	0	360.439	1.461	10	30		FDEERN
Cn1cc([C@H]2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)cn1	ZINC000125489486	173007536	/nfs/dbraw/zinc/00/75/36/173007536.db2.gz	LSTWSAWFFVVNKY-NSHDSACASA-N	0	0	352.366	1.748	10	30		FDEERN
Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000125864199	173021395	/nfs/dbraw/zinc/02/13/95/173021395.db2.gz	KRHLAVRUEBGHHA-GFCCVEGCSA-N	0	0	351.819	1.925	10	30		FDEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000151215967	173393688	/nfs/dbraw/zinc/39/36/88/173393688.db2.gz	LOOGMRYUHGVMMV-YWZLYKJASA-N	0	0	357.454	1.950	10	30		FDEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000175975028	174040706	/nfs/dbraw/zinc/04/07/06/174040706.db2.gz	DMBVTPQHLOYOBI-CQSZACIVSA-N	0	0	360.389	1.543	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CCO2)c1	ZINC000175983238	174041595	/nfs/dbraw/zinc/04/15/95/174041595.db2.gz	JLNFHAKDPWFAMD-OAHLLOKOSA-N	0	0	371.372	1.068	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)CC2	ZINC000175993835	174042765	/nfs/dbraw/zinc/04/27/65/174042765.db2.gz	RWBNQWOCARWYHQ-CYBMUJFWSA-N	0	0	370.388	1.482	10	30		FDEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](c2nccs2)C1	ZINC000177520557	174138315	/nfs/dbraw/zinc/13/83/15/174138315.db2.gz	MQGOQOMHCOWGCT-CQSZACIVSA-N	0	0	356.407	1.862	10	30		FDEERN
Cc1nnc([C@H]2CN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)[nH]1	ZINC000173684687	258307647	/nfs/dbraw/zinc/30/76/47/258307647.db2.gz	RPXCLBGBUVFCBB-CQSZACIVSA-N	0	0	360.805	1.650	10	30		FDEERN
Cn1c(NC[C@@H]2C[C@@]23CCCc2ccccc23)c(C#N)c(=O)n(C)c1=O	ZINC000301659605	259031681	/nfs/dbraw/zinc/03/16/81/259031681.db2.gz	TVLJGUVKUOQCPR-XOBRGWDASA-N	0	0	350.422	1.662	10	30		FDEERN
CCCC(=O)N1CSC[C@@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000329726655	259109091	/nfs/dbraw/zinc/10/90/91/259109091.db2.gz	GPORVHQFZHRCBB-MRXNPFEDSA-N	0	0	359.451	1.849	10	30		FDEERN
C#CCCCn1c2ncnc(N)c2nc1[S@@](=O)c1cccc(OC)c1	ZINC000013642825	518665010	/nfs/dbraw/zinc/66/50/10/518665010.db2.gz	IFLJZWIYZHTUMC-RUZDIDTESA-N	0	0	355.423	1.997	10	30		FDEERN
CCc1nnc(N[C@@H]2CCCN(c3nccn(C)c3=O)C2)c(C#N)c1CC	ZINC000275783181	522778260	/nfs/dbraw/zinc/77/82/60/522778260.db2.gz	YSZSLGZPQKMYQM-CYBMUJFWSA-N	0	0	367.457	1.648	10	30		FDEERN
C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]2(O)C#CCO	ZINC000077319887	523294621	/nfs/dbraw/zinc/29/46/21/523294621.db2.gz	XOJNHZIWRNMDER-ZLWSQXOLSA-N	0	0	372.505	1.864	10	30	in-vitro	FDEERN
N#CCCN(CCC#N)C(=O)CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000121250275	524199440	/nfs/dbraw/zinc/19/94/40/524199440.db2.gz	HEAPFLQSFZFSMV-WMLDXEAASA-N	0	0	362.380	1.728	10	30		FDEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000121680354	524326749	/nfs/dbraw/zinc/32/67/49/524326749.db2.gz	JOGDHQWRJSIDGP-ZDUSSCGKSA-N	0	0	356.361	1.441	10	30		FDEERN
O=C(ON1C(=O)CCC1=O)N1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000145579353	524403285	/nfs/dbraw/zinc/40/32/85/524403285.db2.gz	FKEDBBRRMLBJTQ-UHFFFAOYSA-N	0	0	351.790	1.658	10	30		FDEERN
O=C(ON1C(=O)CCC1=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1	ZINC000145699920	524405099	/nfs/dbraw/zinc/40/50/99/524405099.db2.gz	KYPHYKJNFMMRHE-UHFFFAOYSA-N	0	0	365.773	1.298	10	30		FDEERN
C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(S(N)(=O)=O)cc1	ZINC000151158198	524530902	/nfs/dbraw/zinc/53/09/02/524530902.db2.gz	FBKMEGMACWABCT-SECBINFHSA-N	0	0	365.361	1.975	10	30		FDEERN
Clc1cccc(C#CCN2CCN(c3ccc4nncn4n3)CC2)c1	ZINC000159903724	524763823	/nfs/dbraw/zinc/76/38/23/524763823.db2.gz	CFACFRCTJJVCGK-UHFFFAOYSA-N	0	0	352.829	1.951	10	30		FDEERN
N#C[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CCN1Cc1ccccc1	ZINC000161118765	525036419	/nfs/dbraw/zinc/03/64/19/525036419.db2.gz	KWBNNOSTLADSMO-IAGOWNOFSA-N	0	0	365.441	1.012	10	30		FDEERN
Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC[C@@H](C)C#N	ZINC000176695447	525167333	/nfs/dbraw/zinc/16/73/33/525167333.db2.gz	RSYISQDTKNQMTA-JTQLQIEISA-N	0	0	352.350	1.470	10	30		FDEERN
CC(C)(C)N1C[C@H](NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1=O	ZINC000153385259	525196537	/nfs/dbraw/zinc/19/65/37/525196537.db2.gz	UQQPTRVDGSFUOV-CQSZACIVSA-N	0	0	356.426	1.730	10	30		FDEERN
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(CCC#N)CC1CC1	ZINC000125796056	525237240	/nfs/dbraw/zinc/23/72/40/525237240.db2.gz	ZFPKCUXSYXFOPB-LBPRGKRZSA-N	0	0	360.439	1.266	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cc(C#N)ccc2C)C[C@@H]1CC	ZINC000116899067	525247736	/nfs/dbraw/zinc/24/77/36/525247736.db2.gz	YZDGUYCHVFTWLN-KRWDZBQOSA-N	0	0	365.499	1.988	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)c1	ZINC000177646301	525325829	/nfs/dbraw/zinc/32/58/29/525325829.db2.gz	FUUDLKBJCKIIRP-KRWDZBQOSA-N	0	0	365.437	1.754	10	30		FDEERN
Cn1cc(CN2CCCN(C(=O)Cc3cccc(OCC#N)c3)CC2)cn1	ZINC000126605063	525333220	/nfs/dbraw/zinc/33/32/20/525333220.db2.gz	HRMDCQOUPUHEFN-UHFFFAOYSA-N	0	0	367.453	1.599	10	30		FDEERN
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2C)CCN1C[C@@H](C)O	ZINC000178516552	525440662	/nfs/dbraw/zinc/44/06/62/525440662.db2.gz	WYRITWJAILGOKC-CJNGLKHVSA-N	0	0	358.442	1.109	10	30		FDEERN
Cc1ccc2oc(N3CCN(S(=O)(=O)CC4(C#N)CC4)CC3)nc2c1	ZINC000165276144	525547540	/nfs/dbraw/zinc/54/75/40/525547540.db2.gz	IVUJBNFQOVTXEI-UHFFFAOYSA-N	0	0	360.439	1.892	10	30		FDEERN
CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C#N)CC	ZINC000179239440	525548308	/nfs/dbraw/zinc/54/83/08/525548308.db2.gz	JDEFIUOMZIHTJY-JSGCOSHPSA-N	0	0	362.455	1.702	10	30		FDEERN
CCN(C[C@H](C)C#N)C(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000106096097	525575881	/nfs/dbraw/zinc/57/58/81/525575881.db2.gz	BXXGDBCOXFWOHP-IEBWSBKVSA-N	0	0	358.486	1.346	10	30		FDEERN
COCCN1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000106110142	525600029	/nfs/dbraw/zinc/60/00/29/525600029.db2.gz	NDRKGUFSSRVWMZ-ZDUSSCGKSA-N	0	0	350.850	1.803	10	30		FDEERN
C#CCNC(=O)[C@H](C)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1	ZINC000106141272	525627831	/nfs/dbraw/zinc/62/78/31/525627831.db2.gz	JJMGHFSAVYJSBF-KRWDZBQOSA-N	0	0	351.454	1.128	10	30		FDEERN
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCO[C@H](Cn2cccn2)C1	ZINC000106190949	525661468	/nfs/dbraw/zinc/66/14/68/525661468.db2.gz	BSTOTIZMZVBJGA-MJGOQNOKSA-N	0	0	367.453	1.919	10	30		FDEERN
N#CCSc1ccccc1NC(=O)CN1CCO[C@@H](Cn2cccn2)C1	ZINC000106191480	525662413	/nfs/dbraw/zinc/66/24/13/525662413.db2.gz	ZFIRTZKVTAJNFA-OAHLLOKOSA-N	0	0	371.466	1.838	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(CC(=O)N(CCC#N)c3ccccc3)CCO2)c1	ZINC000106198431	525668320	/nfs/dbraw/zinc/66/83/20/525668320.db2.gz	UAEDERIALSXKJX-IBGZPJMESA-N	0	0	367.453	1.839	10	30		FDEERN
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(CC#N)CC1	ZINC000130166374	525726715	/nfs/dbraw/zinc/72/67/15/525726715.db2.gz	FPEKBLSEABQETP-MRXNPFEDSA-N	0	0	364.396	1.387	10	30		FDEERN
CN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@H]1CCCN(c2cccnn2)C1	ZINC000119809435	525872852	/nfs/dbraw/zinc/87/28/52/525872852.db2.gz	PCDOLQQKLSXILY-INIZCTEOSA-N	0	0	364.405	1.684	10	30		FDEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C1	ZINC000171314655	525943629	/nfs/dbraw/zinc/94/36/29/525943629.db2.gz	ZIVJHOOWAQQIOT-OAHLLOKOSA-N	0	0	356.426	1.713	10	30		FDEERN
Cc1nc(C[C@H]2CCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)no1	ZINC000171485701	526013752	/nfs/dbraw/zinc/01/37/52/526013752.db2.gz	SKSYTALFBLZSCA-OAHLLOKOSA-N	0	0	367.409	1.461	10	30		FDEERN
N#Cc1ccc(N2CCN(c3cc(N4CCC[C@H]4CO)ncn3)CC2)nc1	ZINC000171859289	526154943	/nfs/dbraw/zinc/15/49/43/526154943.db2.gz	VXSKBXVTVMOPSX-INIZCTEOSA-N	0	0	365.441	1.031	10	30		FDEERN
O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000171899871	526170784	/nfs/dbraw/zinc/17/07/84/526170784.db2.gz	WNWSQZNRNUXZRB-ICBKXBRDSA-N	0	0	374.363	1.933	10	30		FDEERN
CC[C@@H](CC#N)NC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C	ZINC000183889110	536062819	/nfs/dbraw/zinc/06/28/19/536062819.db2.gz	PSIKKMPNJORCHX-WFASDCNBSA-N	0	0	362.455	1.558	10	30		FDEERN
CC(=O)N[C@@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184579429	536166703	/nfs/dbraw/zinc/16/67/03/536166703.db2.gz	IZOCHXHTSJUQIW-CQSZACIVSA-N	0	0	353.386	1.271	10	30		FDEERN
C=CCC1(CNC(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)CCCC1	ZINC000263334795	537019300	/nfs/dbraw/zinc/01/93/00/537019300.db2.gz	DFUSUTCUWJQRBT-OAHLLOKOSA-N	0	0	353.463	1.550	10	30		FDEERN
Cc1nnc([C@H]2CN([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CCO2)[nH]1	ZINC000246974917	537061812	/nfs/dbraw/zinc/06/18/12/537061812.db2.gz	MDXYGZSZAAVHRE-PPKXHPOVSA-N	0	0	374.489	1.806	10	30		FDEERN
C=CCNC(=O)c1ccc(N[C@@H]2CCN(c3cc(C)nn3C)C2=O)nc1	ZINC000266305384	537197466	/nfs/dbraw/zinc/19/74/66/537197466.db2.gz	ZGPDWEPEBWJDSX-CQSZACIVSA-N	0	0	354.414	1.257	10	30		FDEERN
N#CCCN(CCC#N)C(=O)CN1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000195511508	537415517	/nfs/dbraw/zinc/41/55/17/537415517.db2.gz	YERNBRURTHWVND-INIZCTEOSA-N	0	0	369.473	1.797	10	30		FDEERN
Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(F)cc2C#N)cn1	ZINC000189196781	570783605	/nfs/dbraw/zinc/78/36/05/570783605.db2.gz	YZLAMVXBWUIDDE-DZGCQCFKSA-N	0	0	350.375	1.239	10	30		FDEERN
C=C(Br)CNC(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1	ZINC000112135946	671636024	/nfs/dbraw/zinc/63/60/24/671636024.db2.gz	MZRZBRWKFOEITD-LLVKDONJSA-N	0	0	372.267	1.929	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CCO1	ZINC000262161914	672738330	/nfs/dbraw/zinc/73/83/30/672738330.db2.gz	SYALAMQAFHRVNY-LLVKDONJSA-N	0	0	358.320	1.194	10	30		FDEERN
Cc1noc([C@@H]2CC[C@H](CNC(=O)N[C@@H]3CCC(=O)NC3(C)C)O2)n1	ZINC000328748118	676605116	/nfs/dbraw/zinc/60/51/16/676605116.db2.gz	PLTJZASGXCKNTD-GRYCIOLGSA-N	0	0	351.407	1.999	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)Nc2cccc(C#N)c2)C1	ZINC000702843226	884263836	/nfs/dbraw/zinc/26/38/36/884263836.db2.gz	CBJLISYQVVWGQB-HIFRSBDPSA-N	0	0	360.414	1.908	10	30		FDEERN
Cc1cnn(CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000192331533	178109533	/nfs/dbraw/zinc/10/95/33/178109533.db2.gz	NJBLSHFFFOGMJN-KRWDZBQOSA-N	0	0	366.425	1.164	10	30		FDEERN
NS(=O)(=O)c1ccc(-c2ccc(/C=N\[C@H]3CCS(=O)(=O)C3)o2)cc1	ZINC000102635345	209239133	/nfs/dbraw/zinc/23/91/33/209239133.db2.gz	QAZWLPDJVIFPMC-CHROMADKSA-N	0	0	368.436	1.200	10	30		FDEERN
N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(C(=O)c4cnccn4)C3)C2)n1	ZINC000096219272	209137328	/nfs/dbraw/zinc/13/73/28/209137328.db2.gz	YEUYQJLZCHTFMR-KDOFPFPSSA-N	0	0	350.382	1.229	10	30		FDEERN
CCOC(=O)/C(C#N)=c1/s/c(=C\c2ccc(OC)cc2)c(=O)n1CC	ZINC000012549838	206803018	/nfs/dbraw/zinc/80/30/18/206803018.db2.gz	FFRQHHCPRUIAQS-DWSDSLTESA-N	0	0	358.419	1.004	10	30		FDEERN
C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=C\C)[C@]1(C)C(=O)C=C[C@H]1[C@H](C)[C@H]2O	ZINC000005566283	207105975	/nfs/dbraw/zinc/10/59/75/207105975.db2.gz	UQFKZAAOUCMTRM-NMEMHIFPSA-N	0	0	360.406	1.734	10	30	biogenic,in-vitro	FDEERN
COc1ccc(OC)c(Nc2ncnc(N(CC#N)CC#N)c2[N+](=O)[O-])c1	ZINC000040617896	208259416	/nfs/dbraw/zinc/25/94/16/208259416.db2.gz	PCMCQVHVZHKXAA-UHFFFAOYSA-N	0	0	369.341	1.999	10	30		FDEERN
Cc1c(C#N)c(=O)n(C)c(N2CCN(Cc3ccccc3)CC2)c1C=O	ZINC000026467118	132375047	/nfs/dbraw/zinc/37/50/47/132375047.db2.gz	ZAXNYZGKPRZECV-UHFFFAOYSA-N	0	0	350.422	1.700	10	30		FDEERN
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(c2ccnn2CCO)CC1	ZINC000089543493	172244635	/nfs/dbraw/zinc/24/46/35/172244635.db2.gz	QUBMNMVHODFYSI-OAHLLOKOSA-N	0	0	368.437	1.921	10	30		FDEERN
N#Cc1c(NC(=O)CCN2CCOC[C@H]2C(N)=O)sc2c1CCCC2	ZINC000092231258	172294605	/nfs/dbraw/zinc/29/46/05/172294605.db2.gz	NVXNIBVEPLQEDM-ZDUSSCGKSA-N	0	0	362.455	1.013	10	30		FDEERN
COC[C@H](C)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000103430048	172364497	/nfs/dbraw/zinc/36/44/97/172364497.db2.gz	CANXPSSEFJDKCV-LBPRGKRZSA-N	0	0	359.405	1.797	10	30		FDEERN
Cc1noc([C@H](C)N2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000106135731	172424738	/nfs/dbraw/zinc/42/47/38/172424738.db2.gz	YGSVSCCQHMIOIR-KGLIPLIRSA-N	0	0	368.441	1.956	10	30		FDEERN
COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(C)c1C#N	ZINC000126599631	173046932	/nfs/dbraw/zinc/04/69/32/173046932.db2.gz	CTEVYLQVMLLPFF-ZDUSSCGKSA-N	0	0	361.427	1.418	10	30		FDEERN
CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000132586106	173236649	/nfs/dbraw/zinc/23/66/49/173236649.db2.gz	KRDQVCZEOCQRJL-GFCCVEGCSA-N	0	0	363.418	1.877	10	30		FDEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000151215797	173393798	/nfs/dbraw/zinc/39/37/98/173393798.db2.gz	LOOGMRYUHGVMMV-FOIQADDNSA-N	0	0	357.454	1.950	10	30		FDEERN
Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C2)no1	ZINC000176009652	174044145	/nfs/dbraw/zinc/04/41/45/174044145.db2.gz	OGBBMXFMKJWEPW-GFCCVEGCSA-N	0	0	371.372	1.809	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)CCN2CCCN(c3cccnn3)CC2)cc1	ZINC000176231935	174060065	/nfs/dbraw/zinc/06/00/65/174060065.db2.gz	GELQCJVZVIYHLX-UHFFFAOYSA-N	0	0	371.466	1.334	10	30		FDEERN
CCn1cnnc1C1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000176234906	174060276	/nfs/dbraw/zinc/06/02/76/174060276.db2.gz	QWLXSWVOBYSICS-UHFFFAOYSA-N	0	0	373.482	1.823	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1N1CCOCC1	ZINC000176990868	174099122	/nfs/dbraw/zinc/09/91/22/174099122.db2.gz	XULABKOIVXGZNU-WBMJQRKESA-N	0	0	369.874	1.553	10	30		FDEERN
N#Cc1cccc([C@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)CCO2)c1	ZINC000330125999	259128045	/nfs/dbraw/zinc/12/80/45/259128045.db2.gz	CSECLWMFHUTEJK-NVXWUHKLSA-N	0	0	353.382	1.325	10	30		FDEERN
C#CCCCn1c2ncnc(N)c2nc1[S@](=O)c1cccc(OC)c1	ZINC000013642823	518664654	/nfs/dbraw/zinc/66/46/54/518664654.db2.gz	IFLJZWIYZHTUMC-VWLOTQADSA-N	0	0	355.423	1.997	10	30		FDEERN
N#Cc1ccccc1S(=O)(=O)N1CCCN(C(=O)c2ccccn2)CC1	ZINC000057014120	521975711	/nfs/dbraw/zinc/97/57/11/521975711.db2.gz	OPTPFUWSZODCHW-UHFFFAOYSA-N	0	0	370.434	1.490	10	30		FDEERN
COC(=O)C1=C(N)Nc2ccccc2[C@@]12C(=O)OC1=C2C(=O)CC(C)(C)C1	ZINC000020568332	522892249	/nfs/dbraw/zinc/89/22/49/522892249.db2.gz	ZMPINJJTKIARIC-FQEVSTJZSA-N	0	0	368.389	1.893	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)c1	ZINC000066936927	523275182	/nfs/dbraw/zinc/27/51/82/523275182.db2.gz	DVFUXAFWDLRLNZ-OAHLLOKOSA-N	0	0	365.480	1.287	10	30		FDEERN
N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCC[C@H]3CO)n2)c1	ZINC000120934527	524101894	/nfs/dbraw/zinc/10/18/94/524101894.db2.gz	OHXYJSJYMPKPPO-ZDUSSCGKSA-N	0	0	356.407	1.604	10	30		FDEERN
Cc1ccc(N2CCCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)nn1	ZINC000110727347	524130235	/nfs/dbraw/zinc/13/02/35/524130235.db2.gz	ZPKZGHWUYHEQLV-UHFFFAOYSA-N	0	0	365.437	1.969	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H](Oc3cccnc3)C2)c1	ZINC000156868024	524164015	/nfs/dbraw/zinc/16/40/15/524164015.db2.gz	IRVNJQQUFJJJQF-QGZVFWFLSA-N	0	0	357.435	1.880	10	30		FDEERN
CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccn(CCC#N)n2)ncn1	ZINC000173369853	524375113	/nfs/dbraw/zinc/37/51/13/524375113.db2.gz	NHQPUZWRCFYRAF-CYBMUJFWSA-N	0	0	369.433	1.419	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(C(=O)COc3ccccc3C#N)CC2)n1	ZINC000112035185	524390296	/nfs/dbraw/zinc/39/02/96/524390296.db2.gz	BAGCXABZFAVUIR-AWEZNQCLSA-N	0	0	369.425	1.788	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)Nc3cccc(C#N)c3)C2=O)n(C)n1	ZINC000174443480	524579678	/nfs/dbraw/zinc/57/96/78/524579678.db2.gz	JEONCUFWCUJZLD-HNNXBMFYSA-N	0	0	352.398	1.917	10	30		FDEERN
CCOc1ccnc(N2CCN(C(=O)NCc3cccc(C#N)c3)CC2)n1	ZINC000113590033	524700749	/nfs/dbraw/zinc/70/07/49/524700749.db2.gz	CYVMHTYYDJNWPE-UHFFFAOYSA-N	0	0	366.425	1.779	10	30		FDEERN
CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCN1CCOC	ZINC000152028493	524760421	/nfs/dbraw/zinc/76/04/21/524760421.db2.gz	BIKSROLJWQIQBB-OAHLLOKOSA-N	0	0	355.435	1.429	10	30		FDEERN
CC[C@H](C#N)NS(=O)(=O)c1cc2c(cc1Br)OCCO2	ZINC000160803227	524972724	/nfs/dbraw/zinc/97/27/24/524972724.db2.gz	KMENHKWFLWUXHZ-MRVPVSSYSA-N	0	0	361.217	1.801	10	30		FDEERN
C[C@H](C#N)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000125860452	525245950	/nfs/dbraw/zinc/24/59/50/525245950.db2.gz	LSPRDJLCDJSYNL-LLVKDONJSA-N	0	0	355.847	1.769	10	30		FDEERN
Cc1c(C#N)cccc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1	ZINC000178567541	525444733	/nfs/dbraw/zinc/44/47/33/525444733.db2.gz	XQIVOBFEPCIRJL-UHFFFAOYSA-N	0	0	362.397	1.659	10	30		FDEERN
CCc1nnc([C@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CCO2)[nH]1	ZINC000164078393	525477955	/nfs/dbraw/zinc/47/79/55/525477955.db2.gz	HYFBJVPBFDHUPI-OAHLLOKOSA-N	0	0	369.425	1.996	10	30		FDEERN
Cc1ncc(CN2CCN(CC(=O)N(CCC#N)CCC#N)CC2)s1	ZINC000106089738	525573314	/nfs/dbraw/zinc/57/33/14/525573314.db2.gz	DDYGKGUKSHMXEB-UHFFFAOYSA-N	0	0	360.487	1.225	10	30		FDEERN
CCOCCN1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000106111492	525602172	/nfs/dbraw/zinc/60/21/72/525602172.db2.gz	MLDXUZCCWYLYCM-QFBILLFUSA-N	0	0	356.470	1.706	10	30		FDEERN
Cc1cnn(C[C@H]2CN(CC(=O)N(CCC#N)c3ccccc3)CCO2)c1	ZINC000106198433	525667536	/nfs/dbraw/zinc/66/75/36/525667536.db2.gz	UAEDERIALSXKJX-LJQANCHMSA-N	0	0	367.453	1.839	10	30		FDEERN
CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(C#N)cc1F	ZINC000170932156	525777084	/nfs/dbraw/zinc/77/70/84/525777084.db2.gz	KKYGOUMOEVIKLD-HNNXBMFYSA-N	0	0	353.419	1.518	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)CC2	ZINC000134090226	526124112	/nfs/dbraw/zinc/12/41/12/526124112.db2.gz	GNEMANITWNFUJA-OAHLLOKOSA-N	0	0	353.426	1.978	10	30		FDEERN
Cc1cccc(S(=O)(=O)N2CCC(Nc3cccnn3)CC2)c1C#N	ZINC000120873847	526205757	/nfs/dbraw/zinc/20/57/57/526205757.db2.gz	VEJFKSDAZYZALD-UHFFFAOYSA-N	0	0	357.439	1.922	10	30		FDEERN
N#CCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1	ZINC000183526917	535997409	/nfs/dbraw/zinc/99/74/09/535997409.db2.gz	KUMMVLHQCCBUET-AWEZNQCLSA-N	0	0	361.448	1.503	10	30		FDEERN
Cn1cc([C@@H]2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)cn1	ZINC000184641820	536172064	/nfs/dbraw/zinc/17/20/64/536172064.db2.gz	LBVVVQVBEVXGHU-CQSZACIVSA-N	0	0	362.397	1.894	10	30		FDEERN
Cc1noc([C@H]2COCCN2CCS(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000185069407	536197332	/nfs/dbraw/zinc/19/73/32/536197332.db2.gz	BMYLZPJDKUKDKM-OAHLLOKOSA-N	0	0	362.411	1.097	10	30		FDEERN
Cc1cc(N(CCC#N)C(=O)CN2C[C@@H](O)C[C@@H]2CO)ccc1Cl	ZINC000185164592	536200892	/nfs/dbraw/zinc/20/08/92/536200892.db2.gz	OEIIHOWXWKEIIB-CABCVRRESA-N	0	0	351.834	1.323	10	30		FDEERN
N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1	ZINC000185706404	536215616	/nfs/dbraw/zinc/21/56/16/536215616.db2.gz	REJGNXBUWBHBOP-CYBMUJFWSA-N	0	0	365.846	1.904	10	30		FDEERN
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000188520674	536295417	/nfs/dbraw/zinc/29/54/17/536295417.db2.gz	XWTULEZJHBVLKE-HUUCEWRRSA-N	0	0	354.328	1.155	10	30		FDEERN
CCn1cc([C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C)CCO2)cn1	ZINC000189229288	537015352	/nfs/dbraw/zinc/01/53/52/537015352.db2.gz	GCRDCUKXYKAUHR-MRXNPFEDSA-N	0	0	360.439	1.845	10	30		FDEERN
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000190088557	537137868	/nfs/dbraw/zinc/13/78/68/537137868.db2.gz	UWBRVONCMBAECB-DZGCQCFKSA-N	0	0	356.426	1.591	10	30		FDEERN
CCn1cc([C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CCO2)cn1	ZINC000190510442	537176108	/nfs/dbraw/zinc/17/61/08/537176108.db2.gz	GEMHJPAQMXSPDI-MRXNPFEDSA-N	0	0	371.372	1.452	10	30		FDEERN
CCn1cc([C@@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)CCO2)cn1	ZINC000248707631	537207963	/nfs/dbraw/zinc/20/79/63/537207963.db2.gz	HUDOJEUBXXWLOR-MJGOQNOKSA-N	0	0	356.426	1.588	10	30		FDEERN
N#C[C@H]1CCC[C@@H]1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O	ZINC000467077352	538603964	/nfs/dbraw/zinc/60/39/64/538603964.db2.gz	ADNAQVCSPSLLGK-DOMZBBRYSA-N	0	0	361.423	1.284	10	30		FDEERN
C=CCO[C@@H]1[C@@H](NC(C)=O)[C@H](OC)O[C@@H](COCc2ccccc2)[C@H]1O	ZINC000575417748	550461827	/nfs/dbraw/zinc/46/18/27/550461827.db2.gz	SGMRSCAPZVOLHO-UURKPOQGSA-N	0	0	365.426	1.011	10	30		FDEERN
CC(=O)N[C@@]1(c2noc(C)n2)CCN(c2nc(N)c3ccccc3n2)C1	ZINC000328611714	571135127	/nfs/dbraw/zinc/13/51/27/571135127.db2.gz	MODVSXJGUBFSHQ-KRWDZBQOSA-N	0	0	353.386	1.985	10	30		FDEERN
N#C[C@H](C(=O)[C@H]1CNC(=O)C1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3	ZINC000171480282	672054667	/nfs/dbraw/zinc/05/46/67/672054667.db2.gz	JWJKHIMPIFONOC-PSASIEDQSA-N	0	0	356.407	1.176	10	30		FDEERN
CS(=O)(=O)OC[C@]12CC=CC[C@]1(COS(C)(=O)=O)CCCC2	ZINC000222332796	672412145	/nfs/dbraw/zinc/41/21/45/672412145.db2.gz	MJYZMGUGHYNHGB-ZIAGYGMSSA-N	0	0	352.474	1.836	10	30		FDEERN
O=C(CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)NC[C@@H]1Cc2ccccc2O1	ZINC000329160083	676623004	/nfs/dbraw/zinc/62/30/04/676623004.db2.gz	FBOUHWHVRMIDGF-OFQRWUPVSA-N	0	0	350.440	1.066	10	30		FDEERN
C=C1C(=O)O[C@@H]2CC[N@@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@H]1C)[C@H]23	ZINC000605696026	717185378	/nfs/dbraw/zinc/18/53/78/717185378.db2.gz	GDDNFNQRHNCJAZ-MYGLKGQZSA-N	0	0	351.399	1.061	10	30		FDEERN
C=C1C[C@H]2OC(=O)C3=C[C@@H](O)C[C@H]4[C@]32CO[C@H](O)[C@]14C[C@H](O)c1ccoc1	ZINC000004097936	291034764	/nfs/dbraw/zinc/03/47/64/291034764.db2.gz	PNFZVLPHKKVBRI-NZMLQMEOSA-N	0	0	374.389	1.217	10	30	biogenic,in-vitro	FDEERN
CCOC(=O)/C(=N\Nc1ccccc1Cl)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000005576779	207106467	/nfs/dbraw/zinc/10/64/67/207106467.db2.gz	JFFYBEQHEOZHTD-KEVMXDQOSA-N	0	0	373.862	1.747	10	30		FDEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)CC2	ZINC000188299692	177853350	/nfs/dbraw/zinc/85/33/50/177853350.db2.gz	CTVJKRKIMRLSRD-ZDUSSCGKSA-N	0	0	370.388	1.482	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C)CCO2)c1	ZINC000172675779	258282353	/nfs/dbraw/zinc/28/23/53/258282353.db2.gz	CRSNKROQGSFVSG-MRXNPFEDSA-N	0	0	360.439	1.461	10	30		FDEERN
N#Cc1c(NC(=O)CN2CCOC[C@@H]2C(N)=O)sc2c1CCCCC2	ZINC000092421386	172297654	/nfs/dbraw/zinc/29/76/54/172297654.db2.gz	RNZVYVFRCRWSSB-CYBMUJFWSA-N	0	0	362.455	1.013	10	30		FDEERN
N#Cc1ccc([C@@H](O)CN2CCN(C[C@H](O)c3ccccc3)CC2)cc1	ZINC000127427921	173075837	/nfs/dbraw/zinc/07/58/37/173075837.db2.gz	IKCZFLVRZHBKJO-SFTDATJTSA-N	0	0	351.450	1.943	10	30		FDEERN
CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1cccc(C#N)c1	ZINC000128394128	173108836	/nfs/dbraw/zinc/10/88/36/173108836.db2.gz	DEPAGKHVZGILRR-HNNXBMFYSA-N	0	0	357.439	1.638	10	30		FDEERN
N#Cc1cc(NC(=O)C(=O)N2CCC(Nc3cccnn3)CC2)ccc1F	ZINC000177964965	174165427	/nfs/dbraw/zinc/16/54/27/174165427.db2.gz	RHEDHJKTXXWUIA-UHFFFAOYSA-N	0	0	368.372	1.529	10	30		FDEERN
Cc1ncc(S(=O)(=O)N2CCC(Cc3nccn3C)CC2)cc1C#N	ZINC000330225997	259134050	/nfs/dbraw/zinc/13/40/50/259134050.db2.gz	UFCOHIHSBOYVKG-UHFFFAOYSA-N	0	0	359.455	1.639	10	30		FDEERN
N#Cc1ncn(CC(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)n1	ZINC000330225961	259134319	/nfs/dbraw/zinc/13/43/19/259134319.db2.gz	OMMKLFYOPYUURD-QGZVFWFLSA-N	0	0	350.382	1.774	10	30		FDEERN
COc1cccc(CN=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c1O	ZINC000009139114	263359174	/nfs/dbraw/zinc/35/91/74/263359174.db2.gz	IUFBWNFHHHEPSV-LZYBPNLTSA-N	0	0	366.355	1.402	10	30		FDEERN
NS(=O)(=O)c1ccc(N=NCc2ccc(O)c(O)c2)c([N+](=O)[O-])c1	ZINC000009137242	263359325	/nfs/dbraw/zinc/35/93/25/263359325.db2.gz	OQNDRBZLEBWNRQ-VIZOYTHASA-N	0	0	352.328	1.099	10	30		FDEERN
CC#CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C(=O)NO)cc1	ZINC000033998689	519591093	/nfs/dbraw/zinc/59/10/93/519591093.db2.gz	VUPQAWNWRCXTLV-CVEARBPZSA-N	0	0	366.439	1.431	10	30		FDEERN
CC[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CCN1CCOC	ZINC000172017843	524093634	/nfs/dbraw/zinc/09/36/34/524093634.db2.gz	UROGCKQMIXQRPW-INIZCTEOSA-N	0	0	358.442	1.374	10	30		FDEERN
N#Cc1ccc(CSCC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1	ZINC000111083440	524199536	/nfs/dbraw/zinc/19/95/36/524199536.db2.gz	BVBJPBVUYKAYDU-QGZVFWFLSA-N	0	0	356.451	1.916	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)CCO2)n1	ZINC000137078653	524228840	/nfs/dbraw/zinc/22/88/40/524228840.db2.gz	NDOZSKGINATWSP-KRWDZBQOSA-N	0	0	367.405	1.508	10	30		FDEERN
C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCn3nc(C)nc32)c1	ZINC000083755041	524278584	/nfs/dbraw/zinc/27/85/84/524278584.db2.gz	VGAJTWSKJULFBL-OAHLLOKOSA-N	0	0	355.398	1.741	10	30		FDEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000121677742	524327071	/nfs/dbraw/zinc/32/70/71/524327071.db2.gz	XMILHAHKLQAKAY-CYBMUJFWSA-N	0	0	356.361	1.441	10	30		FDEERN
O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000111811137	524342252	/nfs/dbraw/zinc/34/22/52/524342252.db2.gz	WNWSQZNRNUXZRB-BYIBELNISA-N	0	0	374.363	1.933	10	30		FDEERN
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](N3CCOCC3)C2)c1	ZINC000173930067	524487962	/nfs/dbraw/zinc/48/79/62/524487962.db2.gz	ODFYDZNHFVUBFA-LJQANCHMSA-N	0	0	370.497	1.957	10	30		FDEERN
N#CCOc1cccc(CC(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)c1	ZINC000089853716	524535865	/nfs/dbraw/zinc/53/58/65/524535865.db2.gz	VOBHPGKXVZJZCG-INIZCTEOSA-N	0	0	364.405	1.557	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000123160589	524693745	/nfs/dbraw/zinc/69/37/45/524693745.db2.gz	OGXBOOQQHAQAJB-JLTOFOAXSA-N	0	0	374.412	1.930	10	30		FDEERN
CC(C)(C)n1cc(CN2CCN(S(=O)(=O)CCCCC#N)CC2)cn1	ZINC000113948992	524730362	/nfs/dbraw/zinc/73/03/62/524730362.db2.gz	VPYZJTZOCKFEOR-UHFFFAOYSA-N	0	0	367.519	1.779	10	30		FDEERN
CC(C)[N@@H+]1CCO[C@H](CN2CCN(CC#Cc3ccc(F)cc3)CC2)C1	ZINC000159932452	524770818	/nfs/dbraw/zinc/77/08/18/524770818.db2.gz	OJTYVGWLCNDQBZ-OAQYLSRUSA-N	0	0	359.489	1.904	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21	ZINC000176100278	525053768	/nfs/dbraw/zinc/05/37/68/525053768.db2.gz	FNGCUGWXJOUFDQ-GFCCVEGCSA-N	0	0	357.345	1.019	10	30		FDEERN
Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)nc3)C2)n1	ZINC000116899473	525247564	/nfs/dbraw/zinc/24/75/64/525247564.db2.gz	IWYZIRRXXMVOSE-CQSZACIVSA-N	0	0	360.443	1.263	10	30		FDEERN
C=CCNC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(C2CC2)C3=O)C1	ZINC000012135004	534863038	/nfs/dbraw/zinc/86/30/38/534863038.db2.gz	RKAUYJWJXFVJKN-CYBMUJFWSA-N	0	0	353.422	1.964	10	30		FDEERN
CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000106096096	525577509	/nfs/dbraw/zinc/57/75/09/525577509.db2.gz	BXXGDBCOXFWOHP-PKOBYXMFSA-N	0	0	358.486	1.346	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)n1	ZINC000106136131	525626069	/nfs/dbraw/zinc/62/60/69/525626069.db2.gz	BCENTGIQHMPOSI-CQSZACIVSA-N	0	0	368.441	1.957	10	30		FDEERN
C#CCNC(=O)[C@@H](C)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1	ZINC000106141274	525627403	/nfs/dbraw/zinc/62/74/03/525627403.db2.gz	JJMGHFSAVYJSBF-QGZVFWFLSA-N	0	0	351.454	1.128	10	30		FDEERN
CCN(CCC#N)C(=O)CN(C)C[C@@H](c1cccs1)N1CCOCC1	ZINC000106160473	525642907	/nfs/dbraw/zinc/64/29/07/525642907.db2.gz	BRQLOLHDOKKWAU-INIZCTEOSA-N	0	0	364.515	1.815	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)CC2	ZINC000119559731	525786178	/nfs/dbraw/zinc/78/61/78/525786178.db2.gz	ZNVMWYKFKCLJMK-ZDUSSCGKSA-N	0	0	370.388	1.482	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)NCc3ccc(OCC#N)cc3)CCO2)c1	ZINC000171842417	526146985	/nfs/dbraw/zinc/14/69/85/526146985.db2.gz	PSLVOCSPPWMTED-GOSISDBHSA-N	0	0	369.425	1.705	10	30		FDEERN
S=C(NCCN1CCOCC1)N/N=C\c1ccccc1Br	ZINC000033408119	526383673	/nfs/dbraw/zinc/38/36/73/526383673.db2.gz	ILTVQEATZNAMKJ-BOPFTXTBSA-N	0	0	371.304	1.579	10	30		FDEERN
CCOC(=O)C1CCN(c2ncnc(N(CC#N)CC#N)c2[N+](=O)[O-])CC1	ZINC000040617892	535604512	/nfs/dbraw/zinc/60/45/12/535604512.db2.gz	GLXRZTCIUQIKIH-UHFFFAOYSA-N	0	0	373.373	1.018	10	30		FDEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184652033	536173361	/nfs/dbraw/zinc/17/33/61/536173361.db2.gz	DZUVWJKBHIYEGC-AWEZNQCLSA-N	0	0	363.385	1.696	10	30		FDEERN
C#CCOc1ccccc1NC(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1	ZINC000188123463	536283369	/nfs/dbraw/zinc/28/33/69/536283369.db2.gz	AZAJMCTXGUVPJO-OAHLLOKOSA-N	0	0	355.398	1.985	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cccc(C)c2C#N)C[C@H]1C	ZINC000246221407	536903873	/nfs/dbraw/zinc/90/38/73/536903873.db2.gz	DMKLFSBUTXRVFW-OAHLLOKOSA-N	0	0	351.472	1.598	10	30		FDEERN
C[C@@H]1CN(CC(=O)Nc2ccccc2SCC#N)C[C@H]1N1CCOCC1	ZINC000246523393	536973098	/nfs/dbraw/zinc/97/30/98/536973098.db2.gz	RLFTYPSVKGMSIQ-NVXWUHKLSA-N	0	0	374.510	1.893	10	30		FDEERN
C[C@H](CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CCOCC1	ZINC000246664991	536999476	/nfs/dbraw/zinc/99/94/76/536999476.db2.gz	FBUVBXJQSVSTGC-MJGOQNOKSA-N	0	0	371.485	1.127	10	30		FDEERN
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1COc2ccccc21	ZINC000246798612	537029288	/nfs/dbraw/zinc/02/92/88/537029288.db2.gz	CYGZNVBAGHDAJU-CJNGLKHVSA-N	0	0	364.409	1.702	10	30		FDEERN
C=CCOc1cc(OC)ccc1C(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1	ZINC000263422323	537029800	/nfs/dbraw/zinc/02/98/00/537029800.db2.gz	LMEIGUUTNSNIFB-UHFFFAOYSA-N	0	0	362.426	1.927	10	30		FDEERN
Cc1nnc([C@@H]2CN([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CCO2)[nH]1	ZINC000246974934	537061898	/nfs/dbraw/zinc/06/18/98/537061898.db2.gz	MDXYGZSZAAVHRE-XLMXBGDPSA-N	0	0	374.489	1.806	10	30		FDEERN
CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(F)c2C#N)ncn1	ZINC000189937269	537118453	/nfs/dbraw/zinc/11/84/53/537118453.db2.gz	CKBKYHJMFHJLBU-LBPRGKRZSA-N	0	0	354.389	1.928	10	30		FDEERN
C#CCOCCC(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000191582297	537208471	/nfs/dbraw/zinc/20/84/71/537208471.db2.gz	MLVOGNKDGKOZIW-INIZCTEOSA-N	0	0	352.475	1.681	10	30		FDEERN
CCCCCCCS(=O)(=O)N1CCN(c2ccc3nncn3n2)CC1	ZINC000195268363	537382571	/nfs/dbraw/zinc/38/25/71/537382571.db2.gz	UZRBLUHLHASISV-UHFFFAOYSA-N	0	0	366.491	1.547	10	30		FDEERN
COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000195270900	537384096	/nfs/dbraw/zinc/38/40/96/537384096.db2.gz	NFJXHWOJMVUGKH-AWEZNQCLSA-N	0	0	369.425	1.792	10	30		FDEERN
O=C(C(C(=O)C(F)(F)F)=C1N[C@H](C(F)(F)F)OC1=O)C(F)(F)F	ZINC000584659331	551525647	/nfs/dbraw/zinc/52/56/47/551525647.db2.gz	FOUWEHPGQRLBJX-LURJTMIESA-N	0	0	359.100	1.538	10	30		FDEERN
C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O	ZINC000049034021	560083977	/nfs/dbraw/zinc/08/39/77/560083977.db2.gz	WZYJEEIAFBHYJS-YXZSDFPZSA-N	0	0	362.422	1.195	10	30	biogenic,in-vitro	FDEERN
CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)NCc2ccoc2)CC1	ZINC000328631513	571136241	/nfs/dbraw/zinc/13/62/41/571136241.db2.gz	KNJFBMQYGJSYKC-OAHLLOKOSA-N	0	0	358.446	2.052	10	30		FDEERN
CCN1CCN(S(=O)(=O)c2cccc(F)c2C#N)C[C@H]1c1ncc[nH]1	ZINC000328627781	571324918	/nfs/dbraw/zinc/32/49/18/571324918.db2.gz	NCLUPWMXLWAIAB-AWEZNQCLSA-N	0	0	363.418	1.488	10	30		FDEERN
CCc1nnc(N2CC[C@H]3[C@@H](C2)NC(=O)N3CCOC)c(C#N)c1CC	ZINC000299740793	571338217	/nfs/dbraw/zinc/33/82/17/571338217.db2.gz	BTNNTXCVLGAFQJ-CVEARBPZSA-N	0	0	358.446	1.092	10	30		FDEERN
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[C@@H](C#N)c1ccccn1	ZINC000041492993	670897449	/nfs/dbraw/zinc/89/74/49/670897449.db2.gz	SXBNUGRFWDRFKK-AAEUAGOBSA-N	0	0	354.391	1.385	10	30		FDEERN
C#CCN1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)CC1	ZINC000112920880	671644177	/nfs/dbraw/zinc/64/41/77/671644177.db2.gz	BZRDJSMMRHDWNA-QGZVFWFLSA-N	0	0	361.873	1.872	10	30		FDEERN
N#C[C@H](C(=O)[C@H]1C[C@@H]1C1CCCCC1)C(=O)N1CCS(=O)(=O)CC1	ZINC000174259966	672091925	/nfs/dbraw/zinc/09/19/25/672091925.db2.gz	HZOFYPDCVPGQMC-QLFBSQMISA-N	0	0	352.456	1.169	10	30		FDEERN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@H](Oc2ccncc2)C1	ZINC000330203830	676678281	/nfs/dbraw/zinc/67/82/81/676678281.db2.gz	BDNWFAVEFJONBD-BZUAXINKSA-N	0	0	367.471	1.805	10	30		FDEERN
C=C1C(=O)O[C@@H]2C(=O)[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)/C(C)=C/C)[C@H]12	ZINC000004098159	291033193	/nfs/dbraw/zinc/03/31/93/291033193.db2.gz	YPIMMVOHCVOXKT-SHJUBZLESA-N	0	0	358.390	1.942	10	30	biogenic,in-vitro	FDEERN
CCN(C[C@H](C)/C(N)=N/O)S(=O)(=O)c1ccc(Br)s1	ZINC000042446563	209258409	/nfs/dbraw/zinc/25/84/09/209258409.db2.gz	TUWACGLDFBHSCE-ZETCQYMHSA-N	0	0	370.294	1.904	10	30		FDEERN
N#CCN(CC#N)c1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-]	ZINC000040617926	208259515	/nfs/dbraw/zinc/25/95/15/208259515.db2.gz	PGPYUYQQJHDNIX-UHFFFAOYSA-N	0	0	367.325	1.753	10	30		FDEERN
C[C@@H](CN(C)S(=O)(=O)c1sccc1Br)/C(N)=N/O	ZINC000042459481	208294291	/nfs/dbraw/zinc/29/42/91/208294291.db2.gz	FHMUUYIVNAMTTJ-LURJTMIESA-N	0	0	356.267	1.514	10	30		FDEERN
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2COc3ccccc32)n1	ZINC000091215964	172278231	/nfs/dbraw/zinc/27/82/31/172278231.db2.gz	XTNHTGJHMSVJFW-ZDUSSCGKSA-N	0	0	353.382	1.698	10	30		FDEERN
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)n1	ZINC000091238517	172280709	/nfs/dbraw/zinc/28/07/09/172280709.db2.gz	QGCCDGDMYRIXEY-UHFFFAOYSA-N	0	0	369.429	1.578	10	30		FDEERN
Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3ccc(C#N)nc3)C2)n1	ZINC000116899475	172684142	/nfs/dbraw/zinc/68/41/42/172684142.db2.gz	IWYZIRRXXMVOSE-AWEZNQCLSA-N	0	0	360.443	1.263	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000127443327	173077203	/nfs/dbraw/zinc/07/72/03/173077203.db2.gz	WBJSIEKTRWDMDE-PBHICJAKSA-N	0	0	355.442	1.916	10	30		FDEERN
Cc1cccc(S(=O)(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1C#N	ZINC000157808899	173628676	/nfs/dbraw/zinc/62/86/76/173628676.db2.gz	UDGHLEDYGPMJFB-CYBMUJFWSA-N	0	0	359.455	1.875	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)c3c(F)cc(C#N)cc3F)C2=O)n(C)n1	ZINC000176356045	174066670	/nfs/dbraw/zinc/06/66/70/174066670.db2.gz	FXOJEQJAZPJSFB-CQSZACIVSA-N	0	0	373.363	1.804	10	30		FDEERN
Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000177977076	174166667	/nfs/dbraw/zinc/16/66/67/174166667.db2.gz	XGAIUSXJVWSRKD-HNNXBMFYSA-N	0	0	355.373	1.832	10	30		FDEERN
CCc1cc(N2CCN(C(=O)c3cccc(C#N)c3)CC2)n2ncnc2n1	ZINC000034915735	519598201	/nfs/dbraw/zinc/59/82/01/519598201.db2.gz	DZFHZJAETAVOSR-UHFFFAOYSA-N	0	0	361.409	1.521	10	30		FDEERN
C[C@H](CNC(=O)N1CCCN(c2ncccc2C#N)CC1)Cn1cccn1	ZINC000056753249	521902285	/nfs/dbraw/zinc/90/22/85/521902285.db2.gz	OCCPGVHBBOACKC-MRXNPFEDSA-N	0	0	367.457	1.708	10	30		FDEERN
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)C=O	ZINC000065748481	522877081	/nfs/dbraw/zinc/87/70/81/522877081.db2.gz	ZJGKMJHMOAPNRY-ZPOLXVRWSA-N	0	0	356.418	1.972	10	30	in-vitro	FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@H]2O)ccc1F	ZINC000077152865	523252944	/nfs/dbraw/zinc/25/29/44/523252944.db2.gz	CQQJTNPUDJAOIS-UKRRQHHQSA-N	0	0	370.446	1.571	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(C(=O)c3ccccc3OCC#N)CC2)n1	ZINC000110895758	524156331	/nfs/dbraw/zinc/15/63/31/524156331.db2.gz	LIGBNBISJFNNQI-ZDUSSCGKSA-N	0	0	355.398	1.799	10	30		FDEERN
N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCC[C@@H]3CO)n2)c1	ZINC000121142754	524164213	/nfs/dbraw/zinc/16/42/13/524164213.db2.gz	OHXYJSJYMPKPPO-CYBMUJFWSA-N	0	0	356.407	1.604	10	30		FDEERN
N#Cc1ccc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1Cl	ZINC000111079062	524197912	/nfs/dbraw/zinc/19/79/12/524197912.db2.gz	HWPIMVJOVYIQNC-AWEZNQCLSA-N	0	0	373.800	1.274	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)[C@H](C)Oc3ccccc3C#N)CCO2)c1	ZINC000112065919	524397111	/nfs/dbraw/zinc/39/71/11/524397111.db2.gz	PIEWOCWMZWLKGT-DOTOQJQBSA-N	0	0	354.410	1.758	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1	ZINC000158865201	524542619	/nfs/dbraw/zinc/54/26/19/524542619.db2.gz	LTOYPWDGKJKZJE-SFHVURJKSA-N	0	0	371.462	1.256	10	30		FDEERN
CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CCN1C[C@@H](C)O	ZINC000122734672	524604345	/nfs/dbraw/zinc/60/43/45/524604345.db2.gz	AQYRXWVTUZWKLL-DOMZBBRYSA-N	0	0	371.890	1.677	10	30		FDEERN
C=CCn1c(C)nnc1S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1	ZINC000174632110	524663705	/nfs/dbraw/zinc/66/37/05/524663705.db2.gz	HFTSJTXJGVHUEK-STQMWFEESA-N	0	0	362.455	1.812	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCN(C[C@H](O)CC)CC2)cc1	ZINC000175350512	524951058	/nfs/dbraw/zinc/95/10/58/524951058.db2.gz	XIGYDTVOVMQISU-QGZVFWFLSA-N	0	0	360.458	1.523	10	30		FDEERN
C#Cc1cccc(N(C)C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c1	ZINC000115215134	524954093	/nfs/dbraw/zinc/95/40/93/524954093.db2.gz	CJVHHDGCISXZPJ-HKUYNNGSSA-N	0	0	350.422	1.974	10	30		FDEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCn3ncnc32)c1	ZINC000175717167	524995059	/nfs/dbraw/zinc/99/50/59/524995059.db2.gz	NQNRLTRNCLQEMW-CQSZACIVSA-N	0	0	361.427	1.007	10	30		FDEERN
COc1cc(I)c(C(=O)N[C@H](C)C#N)cc1OC	ZINC000161390517	525098933	/nfs/dbraw/zinc/09/89/33/525098933.db2.gz	FLEJEFGVBWTICJ-SSDOTTSWSA-N	0	0	360.151	1.950	10	30		FDEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1	ZINC000116227930	525119571	/nfs/dbraw/zinc/11/95/71/525119571.db2.gz	NFTKRKJKKRQSFC-HNNXBMFYSA-N	0	0	374.466	1.514	10	30		FDEERN
CNC(=O)[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C(C)C	ZINC000178406238	525421183	/nfs/dbraw/zinc/42/11/83/525421183.db2.gz	INPQDYACOIQYFV-MRXNPFEDSA-N	0	0	361.421	1.300	10	30		FDEERN
CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)CC1(C#N)CC1	ZINC000165845061	525560648	/nfs/dbraw/zinc/56/06/48/525560648.db2.gz	FKMKWKSSDUQKLZ-AWEZNQCLSA-N	0	0	369.512	1.687	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000106135209	525625991	/nfs/dbraw/zinc/62/59/91/525625991.db2.gz	BYUYDADYMBTGHI-ZDUSSCGKSA-N	0	0	354.414	1.567	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@H](C)N1CCN([C@H](C)c2nc(CC)no2)CC1	ZINC000106137763	525627538	/nfs/dbraw/zinc/62/75/38/525627538.db2.gz	FQCPWNUOWHHTNV-CVEARBPZSA-N	0	0	361.490	1.900	10	30		FDEERN
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1	ZINC000155747171	525964397	/nfs/dbraw/zinc/96/43/97/525964397.db2.gz	SHKXEKFCVZJXLN-GDBMZVCRSA-N	0	0	352.456	1.432	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)n1	ZINC000171907540	526179687	/nfs/dbraw/zinc/17/96/87/526179687.db2.gz	WLPSVILQYDVNIF-GFCCVEGCSA-N	0	0	372.404	1.977	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cn1	ZINC000183196423	535940547	/nfs/dbraw/zinc/94/05/47/535940547.db2.gz	MNZGIJQJDHQEQS-OAHLLOKOSA-N	0	0	372.454	1.797	10	30		FDEERN
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1	ZINC000377114903	537957456	/nfs/dbraw/zinc/95/74/56/537957456.db2.gz	NVWNMKLITJJJKH-WCQYABFASA-N	0	0	353.448	1.605	10	30		FDEERN
COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000328604620	571323849	/nfs/dbraw/zinc/32/38/49/571323849.db2.gz	KKLVLIKVSSKMSB-LLVKDONJSA-N	0	0	356.448	1.032	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCn3ccnc3C2)c(Cl)c1	ZINC000328633620	571325402	/nfs/dbraw/zinc/32/54/02/571325402.db2.gz	SQOAXPUPOLMDEE-GFCCVEGCSA-N	0	0	350.831	1.949	10	30		FDEERN
C=C(Br)CNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000152546849	671885014	/nfs/dbraw/zinc/88/50/14/671885014.db2.gz	UUMMYNGZSYYBQQ-GFCCVEGCSA-N	0	0	354.252	1.995	10	30		FDEERN
C=CCS(=O)(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)OC	ZINC000223422188	672412789	/nfs/dbraw/zinc/41/27/89/672412789.db2.gz	ZZSBDUYLZFWKSK-UHFFFAOYSA-N	0	0	352.412	1.412	10	30		FDEERN
N#Cc1cc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)ccn1	ZINC000193293214	178156871	/nfs/dbraw/zinc/15/68/71/178156871.db2.gz	YHHQRSUFQACXFH-GOSISDBHSA-N	0	0	366.421	1.151	10	30		FDEERN
NC(=O)COc1ccc(/C=N/NS(=O)(=O)c2ccc(F)cc2)cc1	ZINC000002763339	209397067	/nfs/dbraw/zinc/39/70/67/209397067.db2.gz	HVSRLBDRNYPVAX-GIJQJNRQSA-N	0	0	351.359	1.002	10	30		FDEERN
CCCN1C[C@H](NC(=O)c2ccc(C#N)nc2)C[C@H]1C(=O)N(CC)CC	ZINC000096141439	209120301	/nfs/dbraw/zinc/12/03/01/209120301.db2.gz	JUYYHGBECDSRIZ-SJORKVTESA-N	0	0	357.458	1.404	10	30		FDEERN
CC(C)=CC(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C	ZINC000004098101	207000801	/nfs/dbraw/zinc/00/08/01/207000801.db2.gz	DLISCHVYLYGCNV-HJDABSCOSA-N	0	0	362.422	1.814	10	30	biogenic,in-vitro	FDEERN
COc1cc(OC)c(OC)cc1/C=N/NC(=S)NC[C@H]1CCCO1	ZINC000008687302	207241071	/nfs/dbraw/zinc/24/10/71/207241071.db2.gz	MOITUGOJVYSDFE-KBSHCFNASA-N	0	0	353.444	1.689	10	30		FDEERN
N#CCN(CC#N)c1ncnc(Nc2ccc(Br)cn2)c1N	ZINC000040736608	208266532	/nfs/dbraw/zinc/26/65/32/208266532.db2.gz	YOOWRBJJOZTALF-UHFFFAOYSA-N	0	0	359.191	1.813	10	30		FDEERN
C[C@@H](CN(C)C(=O)c1ccc(I)cc1)/C(N)=N/O	ZINC000042459263	208292716	/nfs/dbraw/zinc/29/27/16/208292716.db2.gz	RSGQJFUVHVFQPR-QMMMGPOBSA-N	0	0	361.183	1.746	10	30		FDEERN
CC(C)(C)OC(=O)N1CC[C@H](CS(=O)(=O)c2cc(C#N)ccn2)C1	ZINC000095084195	209020369	/nfs/dbraw/zinc/02/03/69/209020369.db2.gz	FEVHWFHOOGWMPA-ZDUSSCGKSA-N	0	0	351.428	1.984	10	30		FDEERN
N#Cc1ccc(N2CC[C@H](N3CCN(Cc4ccon4)CC3)C2=O)cc1	ZINC000072723319	172047898	/nfs/dbraw/zinc/04/78/98/172047898.db2.gz	KARRJHMAPCUAFM-SFHVURJKSA-N	0	0	351.410	1.469	10	30		FDEERN
N#Cc1cc(S(=O)(=O)N2CCO[C@@H](c3nccs3)C2)ccc1F	ZINC000111343579	172548771	/nfs/dbraw/zinc/54/87/71/172548771.db2.gz	IPYYZYPWJYELIJ-CYBMUJFWSA-N	0	0	353.400	1.916	10	30		FDEERN
Cc1nnc([C@@H]2CN(C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CCO2)[nH]1	ZINC000173550254	258302623	/nfs/dbraw/zinc/30/26/23/258302623.db2.gz	VKYACECMVGVDKP-IRXDYDNUSA-N	0	0	369.425	1.988	10	30		FDEERN
CNc1cc(N2CCC[C@H]2CNC(=O)NCc2cccc(C#N)c2)ncn1	ZINC000173790624	258311201	/nfs/dbraw/zinc/31/12/01/258311201.db2.gz	XVUAMUISJXXEEK-INIZCTEOSA-N	0	0	365.441	1.858	10	30		FDEERN
COCC[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1	ZINC000301663648	259031773	/nfs/dbraw/zinc/03/17/73/259031773.db2.gz	VQBSMTUKEYVMCK-AWEZNQCLSA-N	0	0	362.817	1.799	10	30		FDEERN
N#Cc1cc(NC[C@@H](O)CN2CCOCC2)nc2ccc([N+](=O)[O-])cc12	ZINC000301732706	259032455	/nfs/dbraw/zinc/03/24/55/259032455.db2.gz	PYBRQVAYBYPKQX-CQSZACIVSA-N	0	0	357.370	1.120	10	30		FDEERN
N#Cc1ccc(OC2CN(C(=O)C3CCC4(CC3)NC(=O)NC4=O)C2)cc1	ZINC000329654958	259105566	/nfs/dbraw/zinc/10/55/66/259105566.db2.gz	LXUVHUGTGRZWBM-UHFFFAOYSA-N	0	0	368.393	1.961	10	30		FDEERN
COc1ccc(S(=O)(=O)NN=Cc2ccc3c(c2)OCO3)c(OC)c1	ZINC000015933885	518739699	/nfs/dbraw/zinc/73/96/99/518739699.db2.gz	BKDHACRYHMQGLI-UHFFFAOYSA-N	0	0	364.379	1.745	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)n1	ZINC000110894450	524154351	/nfs/dbraw/zinc/15/43/51/524154351.db2.gz	WYXNPCIXIDPHKT-ZIAGYGMSSA-N	0	0	369.425	1.922	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)CCO2)n1	ZINC000137078690	524228711	/nfs/dbraw/zinc/22/87/11/524228711.db2.gz	NDOZSKGINATWSP-QGZVFWFLSA-N	0	0	367.405	1.508	10	30		FDEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H](N2CCOCC2)C1	ZINC000172762970	524267927	/nfs/dbraw/zinc/26/79/27/524267927.db2.gz	RICGFFXJWCUJEX-KRWDZBQOSA-N	0	0	359.474	1.279	10	30		FDEERN
Cc1cccc(S(=O)(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1C#N	ZINC000157809036	524342530	/nfs/dbraw/zinc/34/25/30/524342530.db2.gz	UDGHLEDYGPMJFB-ZDUSSCGKSA-N	0	0	359.455	1.875	10	30		FDEERN
C=CCSCCNC(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1	ZINC000112136175	524413153	/nfs/dbraw/zinc/41/31/53/524413153.db2.gz	SQQGCWYRCNNZDE-ZDUSSCGKSA-N	0	0	353.492	1.939	10	30		FDEERN
N#Cc1cc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)ccc1F	ZINC000150860864	524496276	/nfs/dbraw/zinc/49/62/76/524496276.db2.gz	IFTQZWDSKHZCCW-UHFFFAOYSA-N	0	0	366.360	1.489	10	30		FDEERN
Cc1nc2c(cnn2C)c(N2CCN(c3ncc(C#N)cc3Cl)CC2)n1	ZINC000114709671	524857484	/nfs/dbraw/zinc/85/74/84/524857484.db2.gz	ZEZKRQKKJDPTKT-UHFFFAOYSA-N	0	0	368.832	1.918	10	30		FDEERN
Cc1ccc([C@H](CNS(=O)(=O)CCCC#N)N2CCOCC2)s1	ZINC000175218597	524907121	/nfs/dbraw/zinc/90/71/21/524907121.db2.gz	FGVJDRNJEUFTMO-AWEZNQCLSA-N	0	0	357.501	1.653	10	30		FDEERN
C[C@H](C#N)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1	ZINC000125829424	525240773	/nfs/dbraw/zinc/24/07/73/525240773.db2.gz	QGMMXASPWDJHLQ-SECBINFHSA-N	0	0	360.233	1.146	10	30		FDEERN
N#Cc1ccc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1	ZINC000117311957	525320744	/nfs/dbraw/zinc/32/07/44/525320744.db2.gz	LTDMKDVHOMWVGV-LJQANCHMSA-N	0	0	365.433	1.756	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1	ZINC000177780549	525345653	/nfs/dbraw/zinc/34/56/53/525345653.db2.gz	JVYYKVOUDAMCKX-QAPCUYQASA-N	0	0	372.469	1.787	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2CO)ccc1F	ZINC000179248147	525548194	/nfs/dbraw/zinc/54/81/94/525548194.db2.gz	BMHCROZEMILZPZ-ZFWWWQNUSA-N	0	0	370.446	1.571	10	30		FDEERN
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCN(c2cccnn2)CC1	ZINC000106071383	525562850	/nfs/dbraw/zinc/56/28/50/525562850.db2.gz	UBKFOUSHPCZRPO-HNNXBMFYSA-N	0	0	350.426	1.888	10	30		FDEERN
Cc1ccc(N2CCCN(CC(=O)Nc3cccc(C#N)c3)CC2)nn1	ZINC000106073982	525565854	/nfs/dbraw/zinc/56/58/54/525565854.db2.gz	UZTSKDBFWWJNMP-UHFFFAOYSA-N	0	0	350.426	1.808	10	30		FDEERN
C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2nc3cc(C)ccc3o2)CC1	ZINC000106095096	525575998	/nfs/dbraw/zinc/57/59/98/525575998.db2.gz	VUEAYZMCEJVKLJ-CQSZACIVSA-N	0	0	371.441	1.659	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1	ZINC000106142535	525628780	/nfs/dbraw/zinc/62/87/80/525628780.db2.gz	PFASKHANQGCFDA-GOSISDBHSA-N	0	0	359.518	1.744	10	30		FDEERN
C=C(Br)CN1CCN(C[C@@H](O)COc2ccccc2)CC1	ZINC000155214829	525784848	/nfs/dbraw/zinc/78/48/48/525784848.db2.gz	FPWWIXMKHKRETB-OAHLLOKOSA-N	0	0	355.276	1.953	10	30		FDEERN
COC(=O)N[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)C(C)C	ZINC000170978027	525788681	/nfs/dbraw/zinc/78/86/81/525788681.db2.gz	OEJZTHJFEGKHGS-QGZVFWFLSA-N	0	0	358.442	1.978	10	30		FDEERN
CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000182404699	526162500	/nfs/dbraw/zinc/16/25/00/526162500.db2.gz	ANIXVQUNPCXRNQ-AWEZNQCLSA-N	0	0	357.863	1.289	10	30		FDEERN
CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000188570917	536904433	/nfs/dbraw/zinc/90/44/33/536904433.db2.gz	VJNCECHVDQXURM-MRXNPFEDSA-N	0	0	364.409	1.414	10	30		FDEERN
C=CCC1(CNC(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)CCCC1	ZINC000263334794	537019776	/nfs/dbraw/zinc/01/97/76/537019776.db2.gz	DFUSUTCUWJQRBT-HNNXBMFYSA-N	0	0	353.463	1.550	10	30		FDEERN
C=CCNC(=O)NC(=O)CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000246817576	537033374	/nfs/dbraw/zinc/03/33/74/537033374.db2.gz	UCZCORQDKXWDQM-KGLIPLIRSA-N	0	0	371.359	1.825	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000263472023	537035898	/nfs/dbraw/zinc/03/58/98/537035898.db2.gz	ICXIXVFXVQRNQJ-UHFFFAOYSA-N	0	0	371.846	1.427	10	30		FDEERN
CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1	ZINC000194650948	537308460	/nfs/dbraw/zinc/30/84/60/537308460.db2.gz	JCHAXUYHPOMLIU-OAHLLOKOSA-N	0	0	364.471	1.093	10	30		FDEERN
CC(C)n1cc([C@]2(O)CCCN(c3nc4ccccn4c3C#N)C2)nn1	ZINC000284668761	571336668	/nfs/dbraw/zinc/33/66/68/571336668.db2.gz	WHOXUZOYSZHRGX-SFHVURJKSA-N	0	0	351.414	1.866	10	30		FDEERN
C=CCn1nnn(CN2CCN([C@@H](C)c3nc(CC)no3)CC2)c1=S	ZINC000112071230	671635850	/nfs/dbraw/zinc/63/58/50/671635850.db2.gz	GYOFPVRNPPNOOY-LBPRGKRZSA-N	0	0	364.479	1.277	10	30		FDEERN
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2COc3ccccc32)cc1	ZINC000195013838	672391768	/nfs/dbraw/zinc/39/17/68/672391768.db2.gz	IMVLTZPTWBXUAN-INIZCTEOSA-N	0	0	356.403	1.462	10	30		FDEERN
C=C(Br)CNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000195247558	672401184	/nfs/dbraw/zinc/40/11/84/672401184.db2.gz	AUYJQPFPTAFQOH-RYUDHWBXSA-N	0	0	374.191	1.197	10	30		FDEERN
CCOCCN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C	ZINC000245570007	672451723	/nfs/dbraw/zinc/45/17/23/672451723.db2.gz	YTNGCZGFYMJQKG-MRXNPFEDSA-N	0	0	365.499	1.375	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCO1	ZINC000262081373	672722322	/nfs/dbraw/zinc/72/23/22/672722322.db2.gz	FHCOWMHTZFMXTE-ZDUSSCGKSA-N	0	0	357.332	1.799	10	30		FDEERN
C[C@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000374459662	678082883	/nfs/dbraw/zinc/08/28/83/678082883.db2.gz	CXPIAQHYECXAOW-ZIAGYGMSSA-N	0	0	366.491	1.478	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)C1	ZINC000702807057	884229560	/nfs/dbraw/zinc/22/95/60/884229560.db2.gz	NPCYQUPYZUHDHX-WCQYABFASA-N	0	0	363.374	1.501	10	30		FDEERN
CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2ccnc(C#N)c2)CC1	ZINC000193174189	178151264	/nfs/dbraw/zinc/15/12/64/178151264.db2.gz	PQXUFAVRKRFWFQ-UHFFFAOYSA-N	0	0	372.860	1.861	10	30		FDEERN
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)CC(CO)=C1C[C@H]3O[C@@]3(C)[C@@H]12	ZINC000004098099	291033228	/nfs/dbraw/zinc/03/32/28/291033228.db2.gz	IWNYNBDVMJGLFZ-IUJWRRDJSA-N	0	0	360.406	1.832	10	30	biogenic,in-vitro	FDEERN
C[C@H](CN(C)S(=O)(=O)c1cccc(Br)c1)/C(N)=N/O	ZINC000042459585	209260011	/nfs/dbraw/zinc/26/00/11/209260011.db2.gz	ITKLTBVFEPMYKU-MRVPVSSYSA-N	0	0	350.238	1.452	10	30		FDEERN
C[C@@]12CC[C@H]3C(=O)O[C@@H](c4ccoc4)C[C@@]3(C)[C@@H]1[C@@H]1OC(=O)[C@@]2(O)[C@H]2O[C@H]21	ZINC000004097883	207001025	/nfs/dbraw/zinc/00/10/25/207001025.db2.gz	TXOMRNMZLZXJQP-OQDMGONLSA-N	0	0	374.389	1.744	10	30	biogenic,in-vitro	FDEERN
COC(=O)CN1C(=O)C[C@H](C(N)=O)S/C1=N\c1ccc(Cl)cc1	ZINC000006179492	207132531	/nfs/dbraw/zinc/13/25/31/207132531.db2.gz	JWVMNPXWOOMWFB-BXWLNTHASA-N	0	0	355.803	1.320	10	30		FDEERN
Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(N)=S)CCC2	ZINC000040824449	208271021	/nfs/dbraw/zinc/27/10/21/208271021.db2.gz	OUTJSGYGXSCFQZ-CIAFOILYSA-N	0	0	357.439	1.787	10	30		FDEERN
N#CCNC(=O)C(=O)Nc1ccc(Br)cc1Br	ZINC000049185755	208414277	/nfs/dbraw/zinc/41/42/77/208414277.db2.gz	WSSJXPUUFNIUCG-UHFFFAOYSA-N	0	0	360.993	1.790	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)CC2	ZINC000114870337	172638293	/nfs/dbraw/zinc/63/82/93/172638293.db2.gz	KUNJCVCAMLWFGJ-ZDUSSCGKSA-N	0	0	368.441	1.081	10	30		FDEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](n2cncn2)C1	ZINC000123509051	172937439	/nfs/dbraw/zinc/93/74/39/172937439.db2.gz	SRGPKRXBEVWPSI-CYBMUJFWSA-N	0	0	351.819	1.829	10	30		FDEERN
CCn1cnnc1[C@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000128595903	173114168	/nfs/dbraw/zinc/11/41/68/173114168.db2.gz	YXINUPVJNNDGIQ-INIZCTEOSA-N	0	0	373.482	1.823	10	30		FDEERN
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1COc2ccccc21	ZINC000158925536	173659931	/nfs/dbraw/zinc/65/99/31/173659931.db2.gz	CYGZNVBAGHDAJU-CZUORRHYSA-N	0	0	364.409	1.702	10	30		FDEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000177057715	174103965	/nfs/dbraw/zinc/10/39/65/174103965.db2.gz	KVDWOVPPXCQJNK-ROUUACIJSA-N	0	0	354.410	1.678	10	30		FDEERN
Cc1nccn1C[C@H]1CCCN1C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000177204546	174114416	/nfs/dbraw/zinc/11/44/16/174114416.db2.gz	RWYUFNCTUGEFDJ-MRXNPFEDSA-N	0	0	367.453	1.992	10	30		FDEERN
CC[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CCN1C[C@@H](C)O	ZINC000177614122	174144150	/nfs/dbraw/zinc/14/41/50/174144150.db2.gz	MXIAFLPORFMWFI-ZBFHGGJFSA-N	0	0	358.442	1.109	10	30		FDEERN
Cn1c(Nc2ccc(Cl)c(C[S@](C)=O)c2)c(C#N)c(=O)n(C)c1=O	ZINC000301304923	259025467	/nfs/dbraw/zinc/02/54/67/259025467.db2.gz	TXQJPZIDSXPALC-DEOSSOPVSA-N	0	0	366.830	1.231	10	30		FDEERN
COCCNC(=O)c1ccc(N2CCc3c(C#N)c(N)sc3C2)nc1	ZINC000301505636	259029012	/nfs/dbraw/zinc/02/90/12/259029012.db2.gz	GTUGPODNLADQMF-UHFFFAOYSA-N	0	0	357.439	1.536	10	30		FDEERN
CCc1nnc(N2CCN(C(=O)c3cccnc3)CC2)c(C#N)c1CC	ZINC000301608933	259030548	/nfs/dbraw/zinc/03/05/48/259030548.db2.gz	AKPAUFFQBHCJIL-UHFFFAOYSA-N	0	0	350.426	1.830	10	30		FDEERN
CCc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)c(C#N)c1CC	ZINC000301610304	259030669	/nfs/dbraw/zinc/03/06/69/259030669.db2.gz	CIMJFYCJTYPYKZ-UHFFFAOYSA-N	0	0	358.446	1.047	10	30		FDEERN
CCN1CCCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1=O	ZINC000329960391	259119665	/nfs/dbraw/zinc/11/96/65/259119665.db2.gz	RCHNDNRHLSOFKD-KRWDZBQOSA-N	0	0	369.469	1.559	10	30		FDEERN
N#Cc1cccc([C@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCOC3)CCO2)c1	ZINC000330328121	259139837	/nfs/dbraw/zinc/13/98/37/259139837.db2.gz	LKFLMVWQWQFZLN-DOTOQJQBSA-N	0	0	352.394	1.999	10	30		FDEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(c2nncn2C)CC1	ZINC000030856027	519396732	/nfs/dbraw/zinc/39/67/32/519396732.db2.gz	IRCZENUVFTXOFV-UHFFFAOYSA-N	0	0	369.473	1.881	10	30		FDEERN
C#CCNC(=O)c1ccc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)nc1	ZINC000078518542	523597938	/nfs/dbraw/zinc/59/79/38/523597938.db2.gz	LYHFSCCGYRADNH-ZDUSSCGKSA-N	0	0	368.359	1.340	10	30		FDEERN
N#CCSCC(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1	ZINC000135543338	524150267	/nfs/dbraw/zinc/15/02/67/524150267.db2.gz	AAONHXUKUOGNKQ-UHFFFAOYSA-N	0	0	355.467	1.773	10	30		FDEERN
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC[C@@H]2CO)c1C	ZINC000121174916	524176004	/nfs/dbraw/zinc/17/60/04/524176004.db2.gz	CNGPQDNONOHAHN-MRXNPFEDSA-N	0	0	367.409	1.283	10	30		FDEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H](N2CCOCC2)C1	ZINC000172762975	524267652	/nfs/dbraw/zinc/26/76/52/524267652.db2.gz	RICGFFXJWCUJEX-QGZVFWFLSA-N	0	0	359.474	1.279	10	30		FDEERN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000113231514	524645019	/nfs/dbraw/zinc/64/50/19/524645019.db2.gz	PEKVTRXWPZBLOA-RHSMWYFYSA-N	0	0	361.467	1.168	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)COc3ccccc3C#N)C2=O)n(C)n1	ZINC000175020434	524837775	/nfs/dbraw/zinc/83/77/75/524837775.db2.gz	XZYDDYNQPHVWSJ-HNNXBMFYSA-N	0	0	367.409	1.291	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2	ZINC000114871053	524901803	/nfs/dbraw/zinc/90/18/03/524901803.db2.gz	ORUUTVDQLNJBFS-GFCCVEGCSA-N	0	0	372.816	1.435	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCc3nc(CC)nn3C2)cc1	ZINC000114903361	524904787	/nfs/dbraw/zinc/90/47/87/524904787.db2.gz	MSFAJLALJMNOFP-OAHLLOKOSA-N	0	0	368.441	1.893	10	30		FDEERN
Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)C2)c1	ZINC000125594185	525216518	/nfs/dbraw/zinc/21/65/18/525216518.db2.gz	LCFKWADFWIULFA-CQSZACIVSA-N	0	0	355.402	1.104	10	30		FDEERN
CC(C)c1nnc2n1C[C@H](NC(=O)C#Cc1ccc3c(c1)OCO3)CC2	ZINC000178071305	525380658	/nfs/dbraw/zinc/38/06/58/525380658.db2.gz	QHFURVIPIKCTSA-CQSZACIVSA-N	0	0	352.394	1.613	10	30		FDEERN
Cc1cnn(CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1	ZINC000118078982	525430268	/nfs/dbraw/zinc/43/02/68/525430268.db2.gz	XDYOGMUZHZXKDD-GOSISDBHSA-N	0	0	352.442	1.611	10	30		FDEERN
C[C@](C#N)(NC(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1)C1CC1	ZINC000106097492	525576143	/nfs/dbraw/zinc/57/61/43/525576143.db2.gz	BGXJTNDKTUSFJP-UYAOXDASSA-N	0	0	356.470	1.146	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)n1	ZINC000106134781	525626417	/nfs/dbraw/zinc/62/64/17/525626417.db2.gz	YQLAEIVCFUJPGB-ZDUSSCGKSA-N	0	0	354.414	1.567	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)n1	ZINC000106140420	525628153	/nfs/dbraw/zinc/62/81/53/525628153.db2.gz	YAYOPQLNIUKTJI-KBXCAEBGSA-N	0	0	362.478	1.365	10	30		FDEERN
CCOc1ccnc(N2CCN(CCOc3ccc(C#N)cc3)CC2)n1	ZINC000106153216	525637093	/nfs/dbraw/zinc/63/70/93/525637093.db2.gz	KMMHZRDDJJJSJC-UHFFFAOYSA-N	0	0	353.426	1.948	10	30		FDEERN
Cn1cc(CN2CCCN(CC(=O)NC3(C#N)CCCCC3)CC2)cn1	ZINC000106157754	525641786	/nfs/dbraw/zinc/64/17/86/525641786.db2.gz	GXKBWCTZFOCVAS-UHFFFAOYSA-N	0	0	358.490	1.270	10	30		FDEERN
C=C(C)CN(CC)C(=O)CN1CCN(c2nc(C)nc3c2cnn3C)CC1	ZINC000106170664	525650589	/nfs/dbraw/zinc/65/05/89/525650589.db2.gz	HXNSNHBNGJZXNE-UHFFFAOYSA-N	0	0	371.489	1.218	10	30		FDEERN
CC[C@H](O)CN1CCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1	ZINC000106393020	525709950	/nfs/dbraw/zinc/70/99/50/525709950.db2.gz	DKCDOPNNWWKZNK-KRWDZBQOSA-N	0	0	361.490	1.261	10	30		FDEERN
C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2nc3ccccc3o2)CC1	ZINC000170942110	525781339	/nfs/dbraw/zinc/78/13/39/525781339.db2.gz	ZEQGFPPUTBEHQZ-CYBMUJFWSA-N	0	0	357.414	1.350	10	30		FDEERN
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000181725372	525907607	/nfs/dbraw/zinc/90/76/07/525907607.db2.gz	JWBIZYREDKXYKX-AWEZNQCLSA-N	0	0	359.455	1.875	10	30		FDEERN
CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)CC2	ZINC000181728798	525910114	/nfs/dbraw/zinc/91/01/14/525910114.db2.gz	RRFUXLQJMDHMRV-LBPRGKRZSA-N	0	0	363.418	1.706	10	30		FDEERN
Cc1nc(CN2CCCN(C(=O)/C=C/c3ccccc3C#N)CC2)no1	ZINC000171863911	526156260	/nfs/dbraw/zinc/15/62/60/526156260.db2.gz	PUUMJQHCEVZDQQ-BQYQJAHWSA-N	0	0	351.410	1.997	10	30		FDEERN
O=[N+]([O-])c1ccccc1/C=C/C=N/NC(=S)NCCN1CCOCC1	ZINC000021487012	527396474	/nfs/dbraw/zinc/39/64/74/527396474.db2.gz	UVQHMBCAHRUZBR-KDOXUUJXSA-N	0	0	363.443	1.390	10	30		FDEERN
N#Cc1cccnc1-n1cc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cn1	ZINC000184578184	536166678	/nfs/dbraw/zinc/16/66/78/536166678.db2.gz	ZQBSULFBZAFVNH-INIZCTEOSA-N	0	0	367.413	1.077	10	30		FDEERN
CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184578772	536166964	/nfs/dbraw/zinc/16/69/64/536166964.db2.gz	IKNJDBCMWWCSLS-CQSZACIVSA-N	0	0	353.386	1.223	10	30		FDEERN
C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1N1CCOCC1	ZINC000246354148	536934104	/nfs/dbraw/zinc/93/41/04/536934104.db2.gz	GFFMAIMUUISQQV-CXAGYDPISA-N	0	0	362.861	1.803	10	30		FDEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000246423073	536950246	/nfs/dbraw/zinc/95/02/46/536950246.db2.gz	KVDWOVPPXCQJNK-QZTJIDSGSA-N	0	0	354.410	1.678	10	30		FDEERN
CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(C#N)c3)CCO2)cn1	ZINC000189232215	537014908	/nfs/dbraw/zinc/01/49/08/537014908.db2.gz	OJMGLZXXMOGNLM-INIZCTEOSA-N	0	0	364.402	1.676	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cc(C#N)ccc2C)C[C@H]1C	ZINC000247001447	537066877	/nfs/dbraw/zinc/06/68/77/537066877.db2.gz	GQKQQWKFBYUSKA-OAHLLOKOSA-N	0	0	351.472	1.598	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000247128496	537084732	/nfs/dbraw/zinc/08/47/32/537084732.db2.gz	OIVUAHPHRIZKRR-CYBMUJFWSA-N	0	0	371.890	1.943	10	30		FDEERN
Cc1oc(NC(=O)[C@H](C)N2CCO[C@@H](Cn3cccn3)C2)c(C#N)c1C	ZINC000247540585	537130912	/nfs/dbraw/zinc/13/09/12/537130912.db2.gz	CXTPCTZVRBBTIQ-DZGCQCFKSA-N	0	0	357.414	1.693	10	30		FDEERN
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@@H](NC(C)=O)C1	ZINC000249680452	537240229	/nfs/dbraw/zinc/24/02/29/537240229.db2.gz	AUYOLSHACDJZQA-DOTOQJQBSA-N	0	0	372.469	1.931	10	30		FDEERN
N#C[C@]1(NS(=O)(=O)c2ccc(Br)cc2)CN2CCC1CC2	ZINC000584643787	551525067	/nfs/dbraw/zinc/52/50/67/551525067.db2.gz	OSFZVXOXHGNBRF-AWEZNQCLSA-N	0	0	370.272	1.715	10	30		FDEERN
Cc1nc(CN(C)[C@H]2CCCN(C(=O)NCc3c[nH]nc3C)CC2)no1	ZINC000328630166	571325155	/nfs/dbraw/zinc/32/51/55/571325155.db2.gz	JCJNNSFEOJKGNH-HNNXBMFYSA-N	0	0	361.450	1.810	10	30		FDEERN
C=C(Br)CNC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1	ZINC000111842885	671633756	/nfs/dbraw/zinc/63/37/56/671633756.db2.gz	JKMQJQQBZMZODN-ZDUSSCGKSA-N	0	0	357.252	1.819	10	30		FDEERN
C#CCOc1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000158601264	671981293	/nfs/dbraw/zinc/98/12/93/671981293.db2.gz	UWASRDIKNZJVGR-ZDUSSCGKSA-N	0	0	358.419	1.837	10	30		FDEERN
C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H](C)O1	ZINC000182615526	672214906	/nfs/dbraw/zinc/21/49/06/672214906.db2.gz	DXHMNPKHDXNFTM-OAGGEKHMSA-N	0	0	362.499	1.566	10	30		FDEERN
CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCN1C[C@H](C)O	ZINC000246087335	672486447	/nfs/dbraw/zinc/48/64/47/672486447.db2.gz	IUVLGRVREVBMGV-SWLSCSKDSA-N	0	0	355.435	1.163	10	30		FDEERN
CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C)CCO2)cn1	ZINC000189229264	177916440	/nfs/dbraw/zinc/91/64/40/177916440.db2.gz	GCRDCUKXYKAUHR-INIZCTEOSA-N	0	0	360.439	1.845	10	30		FDEERN
COC(=O)CN1C(=O)C[C@@H](C(N)=O)S/C1=N\c1ccc(Cl)cc1	ZINC000006179499	207132340	/nfs/dbraw/zinc/13/23/40/207132340.db2.gz	JWVMNPXWOOMWFB-PXAAABLISA-N	0	0	355.803	1.320	10	30		FDEERN
COc1cc(/C=N/NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000006580708	207147330	/nfs/dbraw/zinc/14/73/30/207147330.db2.gz	PRLRKJYEERDYOE-OQLLNIDSSA-N	0	0	351.340	1.621	10	30		FDEERN
Cc1ccc(S(=O)(=O)N=C2NCC(=CCN3CCOCC3)S2)cc1	ZINC000033957157	208103117	/nfs/dbraw/zinc/10/31/17/208103117.db2.gz	WTBYRVACFSXZNK-MKMNVTDBSA-N	0	0	367.496	1.592	10	30		FDEERN
N#Cc1cccc(N2CCC[C@]3(C2)CN(c2ncc(F)cn2)CCO3)n1	ZINC000096074794	132218129	/nfs/dbraw/zinc/21/81/29/132218129.db2.gz	STOKIZAAGDKCQR-SFHVURJKSA-N	0	0	354.389	1.758	10	30		FDEERN
CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000077542617	172127982	/nfs/dbraw/zinc/12/79/82/172127982.db2.gz	XCUXEPFPYISUOH-AWEZNQCLSA-N	0	0	360.389	1.543	10	30		FDEERN
Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000125863759	173020825	/nfs/dbraw/zinc/02/08/25/173020825.db2.gz	OGHZKLSCRRZRHZ-GFCCVEGCSA-N	0	0	351.819	1.925	10	30		FDEERN
CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000128389887	173109078	/nfs/dbraw/zinc/10/90/78/173109078.db2.gz	WJTJHTDKDQRMIS-AWEZNQCLSA-N	0	0	358.427	1.033	10	30		FDEERN
Cc1nnc([C@H]2CN(CC(=O)Nc3sc(C)c(C)c3C#N)CCO2)[nH]1	ZINC000177350032	174122844	/nfs/dbraw/zinc/12/28/44/174122844.db2.gz	YOWFYABYDRFFNT-CYBMUJFWSA-N	0	0	360.443	1.675	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1N1CCOCC1	ZINC000180108707	258362348	/nfs/dbraw/zinc/36/23/48/258362348.db2.gz	LAOMGBDNOVCQGK-DOMZBBRYSA-N	0	0	369.874	1.553	10	30		FDEERN
C[C@H](CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCCCC1=O	ZINC000328697838	259054022	/nfs/dbraw/zinc/05/40/22/259054022.db2.gz	LMOQGZYSMDTGAM-OAHLLOKOSA-N	0	0	355.442	1.393	10	30		FDEERN
N#Cc1ccc(OC2CN(C(=O)[C@@H]3COCCN3CC(F)(F)F)C2)cc1	ZINC000329480757	259098040	/nfs/dbraw/zinc/09/80/40/259098040.db2.gz	DCZJDAYFSHNBSS-HNNXBMFYSA-N	0	0	369.343	1.411	10	30		FDEERN
N#Cc1ccc(OC2CN(S(=O)(=O)CCC3CCOCC3)C2)cc1	ZINC000330297407	259138181	/nfs/dbraw/zinc/13/81/81/259138181.db2.gz	KVILYSFNALXMJB-UHFFFAOYSA-N	0	0	350.440	1.768	10	30		FDEERN
CC1(C)C=Cc2cc3c(cc2O1)O[C@H]1[C@]3(O)COC2=CC(=O)C=C[C@]21O	ZINC000001610277	520252202	/nfs/dbraw/zinc/25/22/02/520252202.db2.gz	PDSPTIAGLVOKKO-HOJAQTOUSA-N	0	0	354.358	1.604	10	30	biogenic	FDEERN
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCO[C@H](C#N)C3)C2)c(F)c1	ZINC000069473303	521885724	/nfs/dbraw/zinc/88/57/24/521885724.db2.gz	MNFDTHZKSDPKJA-LSDHHAIUSA-N	0	0	357.389	1.600	10	30		FDEERN
N#CCOc1ccc(/C=C/C(=O)NCc2cccnc2-n2cncn2)cc1	ZINC000058272372	522237545	/nfs/dbraw/zinc/23/75/45/522237545.db2.gz	SMBXWQKTIKIABZ-VMPITWQZSA-N	0	0	360.377	1.894	10	30		FDEERN
C=CCCO[C@H](C)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1	ZINC000066313822	523013952	/nfs/dbraw/zinc/01/39/52/523013952.db2.gz	ZDBIYDDFQRTNLK-OAHLLOKOSA-N	0	0	356.430	1.292	10	30		FDEERN
CC(C)C[C@H](CN(C)C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000068224172	523736266	/nfs/dbraw/zinc/73/62/66/523736266.db2.gz	VNPPTGYDCBYZDW-QGZVFWFLSA-N	0	0	365.499	1.566	10	30		FDEERN
N#CCCN(CCC#N)C(=O)CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000121250406	524198845	/nfs/dbraw/zinc/19/88/45/524198845.db2.gz	HEAPFLQSFZFSMV-PBHICJAKSA-N	0	0	362.380	1.728	10	30		FDEERN
Cc1nn(C)c(C)c1CN1CCN(Cc2cnc3ccc(C#N)cn23)CC1	ZINC000121442802	524260550	/nfs/dbraw/zinc/26/05/50/524260550.db2.gz	DOBIONYCUQZTGB-UHFFFAOYSA-N	0	0	363.469	1.874	10	30		FDEERN
O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000111811138	524341923	/nfs/dbraw/zinc/34/19/23/524341923.db2.gz	WNWSQZNRNUXZRB-DLUIAHABSA-N	0	0	374.363	1.933	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(S(=O)(=O)Cc3cccc(C#N)c3)CCO2)c1	ZINC000112094096	524403802	/nfs/dbraw/zinc/40/38/02/524403802.db2.gz	HIHSTVMTLPLWJT-QGZVFWFLSA-N	0	0	360.439	1.294	10	30		FDEERN
CCc1nnc([C@@H]2CN(C(=O)Cc3ccc(OCC#N)cc3)CCO2)[nH]1	ZINC000173556394	524415465	/nfs/dbraw/zinc/41/54/65/524415465.db2.gz	ZOQQJXXXVILCLQ-HNNXBMFYSA-N	0	0	355.398	1.412	10	30		FDEERN
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cc1Cl	ZINC000112291680	524449361	/nfs/dbraw/zinc/44/93/61/524449361.db2.gz	FYMSVBKOXWPONA-CYBMUJFWSA-N	0	0	358.789	1.605	10	30		FDEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@H]2CO)c1	ZINC000151039427	524517698	/nfs/dbraw/zinc/51/76/98/524517698.db2.gz	KLDOLSFPSLXDKB-HOCLYGCPSA-N	0	0	352.456	1.432	10	30		FDEERN
C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000174346037	524546490	/nfs/dbraw/zinc/54/64/90/524546490.db2.gz	BUBYDVBWUSLIIE-NWDGAFQWSA-N	0	0	364.833	1.064	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3C)CCO2)c1	ZINC000114740750	524869481	/nfs/dbraw/zinc/86/94/81/524869481.db2.gz	GBBWVEPBQMLSLD-MRXNPFEDSA-N	0	0	360.439	1.461	10	30		FDEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000124153789	524917107	/nfs/dbraw/zinc/91/71/07/524917107.db2.gz	SIUNKALQXCASLL-CYBMUJFWSA-N	0	0	372.816	1.955	10	30		FDEERN
C[C@H](C#N)NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2	ZINC000160638329	524935867	/nfs/dbraw/zinc/93/58/67/524935867.db2.gz	WEPGDOPDMUMXEK-SSDOTTSWSA-N	0	0	358.217	1.524	10	30		FDEERN
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3c3ccco3)CC2)o1	ZINC000116289352	525128081	/nfs/dbraw/zinc/12/80/81/525128081.db2.gz	XUQPCSBYKMVBBR-MRXNPFEDSA-N	0	0	369.425	1.933	10	30		FDEERN
C[C@H]1CN(CC(=O)Nc2ccccc2SCC#N)C[C@@H]1N1CCOCC1	ZINC000177216935	525256880	/nfs/dbraw/zinc/25/68/80/525256880.db2.gz	RLFTYPSVKGMSIQ-RDJZCZTQSA-N	0	0	374.510	1.893	10	30		FDEERN
COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000126599880	525330930	/nfs/dbraw/zinc/33/09/30/525330930.db2.gz	QBXCHAUEDAUQNL-LBPRGKRZSA-N	0	0	365.390	1.249	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)C#Cc1ccc3c(c1)OCO3)CC2	ZINC000126974497	525369588	/nfs/dbraw/zinc/36/95/88/525369588.db2.gz	IBYCOINEBVHVIG-CQSZACIVSA-N	0	0	352.394	1.613	10	30		FDEERN
CCn1cnnc1[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000117973027	525418813	/nfs/dbraw/zinc/41/88/13/525418813.db2.gz	VDXMPIZDMWMEBS-MRXNPFEDSA-N	0	0	366.425	1.306	10	30		FDEERN
N#C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CCO1	ZINC000106053616	525556659	/nfs/dbraw/zinc/55/66/59/525556659.db2.gz	SAJFECLNYIFAKO-CVEARBPZSA-N	0	0	369.446	1.840	10	30		FDEERN
CN(c1cccnn1)C1CCN(CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000106085100	525571162	/nfs/dbraw/zinc/57/11/62/525571162.db2.gz	UXYBECQKZPWNFY-UHFFFAOYSA-N	0	0	350.426	1.888	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)n1	ZINC000106140416	525627377	/nfs/dbraw/zinc/62/73/77/525627377.db2.gz	YAYOPQLNIUKTJI-KSSFIOAISA-N	0	0	362.478	1.365	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)n1	ZINC000106140432	525628027	/nfs/dbraw/zinc/62/80/27/525628027.db2.gz	CFMADAGRJYKHFF-SCLBCKFNSA-N	0	0	360.462	1.119	10	30		FDEERN
CCOc1ccnc(N2CCN(CCOc3cccc(C#N)c3)CC2)n1	ZINC000106152171	525634398	/nfs/dbraw/zinc/63/43/98/525634398.db2.gz	KAAOACDKRUCSCT-UHFFFAOYSA-N	0	0	353.426	1.948	10	30		FDEERN
C=CCNc1ncc(C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)s1	ZINC000129379523	525648925	/nfs/dbraw/zinc/64/89/25/525648925.db2.gz	OQIPWRPEUXJUOD-LBPRGKRZSA-N	0	0	373.486	1.972	10	30		FDEERN
Cc1cnn(C[C@@H]2CN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CCO2)c1	ZINC000106198848	525667712	/nfs/dbraw/zinc/66/77/12/525667712.db2.gz	NXQKEJDYRNKAKA-YJBOKZPZSA-N	0	0	353.426	1.791	10	30		FDEERN
Cc1cnn(C[C@H]2CN(CCC(=O)Nc3cccc(C#N)c3)CCO2)c1	ZINC000106199312	525668919	/nfs/dbraw/zinc/66/89/19/525668919.db2.gz	CGSPBCSVCGQUPU-GOSISDBHSA-N	0	0	353.426	1.793	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(CC(=O)Nc3sccc3C#N)CCO2)n1	ZINC000106201311	525668999	/nfs/dbraw/zinc/66/89/99/525668999.db2.gz	UZKDWUJQRKJEJE-OAHLLOKOSA-N	0	0	359.455	1.773	10	30		FDEERN
C#CCOc1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc1	ZINC000119213852	525672017	/nfs/dbraw/zinc/67/20/17/525672017.db2.gz	HAROHOOYOGZSID-UHFFFAOYSA-N	0	0	352.438	1.780	10	30		FDEERN
Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)c(C)n1-c1ccc(C#N)cc1	ZINC000180267997	525682593	/nfs/dbraw/zinc/68/25/93/525682593.db2.gz	ZBRQWTBNHZQETI-KRWDZBQOSA-N	0	0	352.394	1.292	10	30		FDEERN
Cc1cnn(CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)c1	ZINC000155226452	525788094	/nfs/dbraw/zinc/78/80/94/525788094.db2.gz	JPORBMKBUDNRGI-UHFFFAOYSA-N	0	0	369.244	1.804	10	30		FDEERN
CCCn1cc(CN2CCCN(C(=O)C3(C#N)CCOCC3)CC2)cn1	ZINC000171764553	526112475	/nfs/dbraw/zinc/11/24/75/526112475.db2.gz	DPUHZFPSHXOXMR-UHFFFAOYSA-N	0	0	359.474	1.648	10	30		FDEERN
C=CCc1ccc(OC[C@@H](O)CN2CC(NC(=O)C3CCC3)C2)c(OC)c1	ZINC000185934763	536221833	/nfs/dbraw/zinc/22/18/33/536221833.db2.gz	BUFBWSHNAXSKQO-SFHVURJKSA-N	0	0	374.481	1.764	10	30		FDEERN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000189422289	537044223	/nfs/dbraw/zinc/04/42/23/537044223.db2.gz	HGLMBCHYRKWKBZ-HNNXBMFYSA-N	0	0	351.410	1.979	10	30		FDEERN
N#C[C@@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CCN1Cc1ccccc1	ZINC000247346372	537111878	/nfs/dbraw/zinc/11/18/78/537111878.db2.gz	KWBNNOSTLADSMO-DLBZAZTESA-N	0	0	365.441	1.012	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1N1CCOCC1	ZINC000248466496	537186503	/nfs/dbraw/zinc/18/65/03/537186503.db2.gz	DISPLHJZCNUXMG-IUODEOHRSA-N	0	0	369.874	1.553	10	30		FDEERN
COS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)OC)ccc1-2	ZINC000584590471	551523261	/nfs/dbraw/zinc/52/32/61/551523261.db2.gz	UWAGDQPVUFEGJM-UHFFFAOYSA-N	0	0	354.405	1.928	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@H]1CCCN(C(=O)Nc2ccccn2)CC1	ZINC000328653502	571136979	/nfs/dbraw/zinc/13/69/79/571136979.db2.gz	WWZBMWNGYOZNFK-AWEZNQCLSA-N	0	0	355.446	1.986	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCO1	ZINC000262066592	672719689	/nfs/dbraw/zinc/71/96/89/672719689.db2.gz	BJDKKUXIRZBEQJ-CYBMUJFWSA-N	0	0	357.332	1.799	10	30		FDEERN
N#CC1(CS(=O)(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CCCC1	ZINC000263470606	672877328	/nfs/dbraw/zinc/87/73/28/672877328.db2.gz	HPXWLIUQDMCCCD-UHFFFAOYSA-N	0	0	369.487	1.317	10	30		FDEERN
Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C2)n1	ZINC000369223351	677503823	/nfs/dbraw/zinc/50/38/23/677503823.db2.gz	FACDOEKVAGQKCC-WFASDCNBSA-N	0	0	354.480	1.086	10	30		FDEERN
C[C@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000374548610	678086790	/nfs/dbraw/zinc/08/67/90/678086790.db2.gz	HWPFBKWCHKQYGE-KGLIPLIRSA-N	0	0	366.491	1.620	10	30		FDEERN
COc1ccc2c(c1OC)[C@@]13CC(=O)N(C)[C@]1(C[C@@H]2O)C(=O)C(OC)=CC3	ZINC000095914142	209879257	/nfs/dbraw/zinc/87/92/57/209879257.db2.gz	ZLACZJGCNXVIAX-NXXCRTJYSA-N	0	0	373.405	1.483	10	30	biogenic,in-vitro	FDEERN
Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1C#N	ZINC000188287839	177852728	/nfs/dbraw/zinc/85/27/28/177852728.db2.gz	CEQIKJPVEHFJPD-CYBMUJFWSA-N	0	0	366.425	1.651	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H]2CCCC[C@H]2O)cc1	ZINC000077161654	172122081	/nfs/dbraw/zinc/12/20/81/172122081.db2.gz	GXZRYZCKUNBKLZ-HZPDHXFCSA-N	0	0	350.440	1.140	10	30		FDEERN
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)n1	ZINC000091249340	172281983	/nfs/dbraw/zinc/28/19/83/172281983.db2.gz	JSMROIDBXOCALS-RDTXWAMCSA-N	0	0	359.430	1.428	10	30		FDEERN
N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@@H](c3nccs3)C2)cc1	ZINC000111620543	172554585	/nfs/dbraw/zinc/55/45/85/172554585.db2.gz	CKYQVNCEGSBYCR-CQSZACIVSA-N	0	0	356.407	1.345	10	30		FDEERN
Cn1nccc1C1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000131902168	173216656	/nfs/dbraw/zinc/21/66/56/173216656.db2.gz	PJMKPLRBNAIHGS-UHFFFAOYSA-N	0	0	351.410	1.428	10	30		FDEERN
CC(C)[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)N1CCOCC1	ZINC000133302340	173260854	/nfs/dbraw/zinc/26/08/54/173260854.db2.gz	QCTWLMRPCQNZID-IBGZPJMESA-N	0	0	372.469	1.688	10	30		FDEERN
C[C@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)N1CCOCC1	ZINC000150946991	173386102	/nfs/dbraw/zinc/38/61/02/173386102.db2.gz	OAPLSNQXYTXBRG-OAHLLOKOSA-N	0	0	358.442	1.504	10	30		FDEERN
Cc1nccn1C[C@H]1CCCN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000175428505	174005397	/nfs/dbraw/zinc/00/53/97/174005397.db2.gz	RUMYUAHKXHSCSK-QGZVFWFLSA-N	0	0	351.410	1.484	10	30		FDEERN
CCn1cnnc1[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000176224369	174059391	/nfs/dbraw/zinc/05/93/91/174059391.db2.gz	WMLFHDHEYZLDAQ-INIZCTEOSA-N	0	0	373.482	1.823	10	30		FDEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN([C@@H](C)c2nc(C)no2)CC1	ZINC000177055610	174104426	/nfs/dbraw/zinc/10/44/26/174104426.db2.gz	BQTBGAGMQPXADS-GUYCJALGSA-N	0	0	369.425	1.843	10	30		FDEERN
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCn2ncnc21	ZINC000177322033	174121310	/nfs/dbraw/zinc/12/13/10/174121310.db2.gz	JPNOWPKEGZHGKM-INIZCTEOSA-N	0	0	354.414	1.843	10	30		FDEERN
N#Cc1cc(S(N)(=O)=O)ccc1NCC[S@](=O)Cc1ccccc1	ZINC000301407944	259027792	/nfs/dbraw/zinc/02/77/92/259027792.db2.gz	WAKOWEWHGNKBJV-QHCPKHFHSA-N	0	0	363.464	1.566	10	30		FDEERN
C[C@]12CC(=O)[C@@H]3[C@H](CC[C@@H]4CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO	ZINC000504716851	263762761	/nfs/dbraw/zinc/76/27/61/263762761.db2.gz	XGRPDOONUXQWRT-XPTFZZFUSA-N	0	0	360.450	1.846	10	30		FDEERN
CCCN(CC#N)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000056484541	521870722	/nfs/dbraw/zinc/87/07/22/521870722.db2.gz	PFXIQFNJUYEDJV-UHFFFAOYSA-N	0	0	374.466	1.610	10	30		FDEERN
N#Cc1ccc(N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000054370201	523630550	/nfs/dbraw/zinc/63/05/50/523630550.db2.gz	PUUSVCSDGUHFGL-GDBMZVCRSA-N	0	0	358.310	1.881	10	30		FDEERN
CC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C#N)cc1	ZINC000142176390	524346918	/nfs/dbraw/zinc/34/69/18/524346918.db2.gz	UVPVNUCUDNANGZ-OAHLLOKOSA-N	0	0	350.378	1.376	10	30		FDEERN
C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCCn3nc(CC)nc32)c1	ZINC000088817081	524473795	/nfs/dbraw/zinc/47/37/95/524473795.db2.gz	RJSFHRGFWZFELY-HNNXBMFYSA-N	0	0	369.425	1.995	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(CC#N)c3)C2=O)n(C)n1	ZINC000175016094	524835508	/nfs/dbraw/zinc/83/55/08/524835508.db2.gz	IEOSRKFTADEVEA-MRXNPFEDSA-N	0	0	351.410	1.720	10	30		FDEERN
CC[C@H](C#N)NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2	ZINC000160831169	524979013	/nfs/dbraw/zinc/97/90/13/524979013.db2.gz	ACSWQKAOLYOBNT-SECBINFHSA-N	0	0	372.244	1.914	10	30		FDEERN
CC[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[N@@H+]1CCOC	ZINC000175979392	525036871	/nfs/dbraw/zinc/03/68/71/525036871.db2.gz	LEYUYRZDBWPFKB-KRWDZBQOSA-N	0	0	360.458	1.689	10	30		FDEERN
C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@]1(C#CCO)[C@@H]2O	ZINC000097976135	525197659	/nfs/dbraw/zinc/19/76/59/525197659.db2.gz	KRGBATHVELTBIL-OZONSOKJSA-N	0	0	372.505	1.864	10	30		FDEERN
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1(C#N)CCCCC1	ZINC000125610256	525217852	/nfs/dbraw/zinc/21/78/52/525217852.db2.gz	KEODLQARKALOTH-LBPRGKRZSA-N	0	0	360.439	1.456	10	30		FDEERN
CCc1nnc([C@@H]2CN(C(=O)Cc3cccc(OCC#N)c3)CCO2)[nH]1	ZINC000128717650	525572128	/nfs/dbraw/zinc/57/21/28/525572128.db2.gz	POLSEUGZKPOPHT-HNNXBMFYSA-N	0	0	355.398	1.412	10	30		FDEERN
C=CCNc1ncc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)s1	ZINC000129087579	525613152	/nfs/dbraw/zinc/61/31/52/525613152.db2.gz	TUUOVPYWHJQSAL-UHFFFAOYSA-N	0	0	370.442	1.141	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)n1	ZINC000106133525	525623299	/nfs/dbraw/zinc/62/32/99/525623299.db2.gz	KDMZZNZORZHPLP-PBHICJAKSA-N	0	0	371.441	1.368	10	30		FDEERN
C=CCNC(=O)NC(=O)CN(C)C[C@@H](c1cccs1)N1CCOCC1	ZINC000106162169	525642665	/nfs/dbraw/zinc/64/26/65/525642665.db2.gz	RZVHFIYSYIZAPV-AWEZNQCLSA-N	0	0	366.487	1.065	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(CCC(=O)Nc3ccc(C#N)cc3)CCO2)c1	ZINC000106199190	525666994	/nfs/dbraw/zinc/66/69/94/525666994.db2.gz	VEUQZKHKKSEZBN-SFHVURJKSA-N	0	0	353.426	1.793	10	30		FDEERN
Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c(C)n1-c1ccc(C#N)cc1	ZINC000180267980	525683520	/nfs/dbraw/zinc/68/35/20/525683520.db2.gz	ZBRQWTBNHZQETI-QGZVFWFLSA-N	0	0	352.394	1.292	10	30		FDEERN
C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1	ZINC000155746831	525964442	/nfs/dbraw/zinc/96/44/42/525964442.db2.gz	SHKXEKFCVZJXLN-HOCLYGCPSA-N	0	0	352.456	1.432	10	30		FDEERN
CCn1cnnc1[C@H]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000108400597	525965871	/nfs/dbraw/zinc/96/58/71/525965871.db2.gz	BGARTOAYFRFSTQ-INIZCTEOSA-N	0	0	359.455	1.879	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)NCc3ccc(C#N)cc3F)CCO2)c1	ZINC000171921943	526182800	/nfs/dbraw/zinc/18/28/00/526182800.db2.gz	NEZLKLUIOGZQHV-MRXNPFEDSA-N	0	0	357.389	1.813	10	30		FDEERN
[NH3+]CCNc1nonc1/C(=N\[O-])Nc1ccc(F)c(Br)c1	ZINC000253387859	527188989	/nfs/dbraw/zinc/18/89/89/527188989.db2.gz	DAPNMIADTFAXEG-UHFFFAOYSA-N	0	0	359.159	1.590	10	30		FDEERN
Cc1noc([C@H]2COCCN2S(=O)(=O)c2cccc(Cl)c2C#N)n1	ZINC000183745408	536041370	/nfs/dbraw/zinc/04/13/70/536041370.db2.gz	BVQRBYCCSDJOPA-GFCCVEGCSA-N	0	0	368.802	1.665	10	30		FDEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000189186628	537009662	/nfs/dbraw/zinc/00/96/62/537009662.db2.gz	HXARSEDPTLIDJR-LSDHHAIUSA-N	0	0	362.411	1.542	10	30		FDEERN
CCn1cc([C@H]2CN(S(=O)(=O)c3cccc(C)c3C#N)CCO2)cn1	ZINC000189217959	537013698	/nfs/dbraw/zinc/01/36/98/537013698.db2.gz	FBFNCZZXCYGTSZ-MRXNPFEDSA-N	0	0	360.439	1.845	10	30		FDEERN
COC(=O)[C@H]1CCCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000192529180	537225768	/nfs/dbraw/zinc/22/57/68/537225768.db2.gz	FUXKBKSGXLZHHX-OAHLLOKOSA-N	0	0	355.398	1.314	10	30		FDEERN
CC(C)c1nnc(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)n1C	ZINC000194643060	537306777	/nfs/dbraw/zinc/30/67/77/537306777.db2.gz	NYYFDVCULFZAOZ-SFHVURJKSA-N	0	0	352.398	1.777	10	30		FDEERN
Cc1ccc(C2=[N+]([O-])[C@]3(CCCC/C3=N\NC(N)=S)N(O)C2(C)C)o1	ZINC000575346566	550455751	/nfs/dbraw/zinc/45/57/51/550455751.db2.gz	WSBNCJNIEJROGY-YAJBTMAUSA-O	0	0	366.467	1.722	10	30		FDEERN
CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O	ZINC000616582515	555320053	/nfs/dbraw/zinc/32/00/53/555320053.db2.gz	SVEBILVFMHQNKO-HSFUPAIVSA-N	0	0	361.479	1.087	10	30		FDEERN
N#Cc1ccccc1C(=O)N1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1	ZINC000328603127	571323819	/nfs/dbraw/zinc/32/38/19/571323819.db2.gz	DWWFMUFOHJMTCY-INIZCTEOSA-N	0	0	363.421	1.802	10	30		FDEERN
O=C(NC[C@H]1CCn2ncc(C(=O)N3CCOCC3)c2C1)c1ccccn1	ZINC000328606690	571323930	/nfs/dbraw/zinc/32/39/30/571323930.db2.gz	SKXHWAPMSYMJLF-AWEZNQCLSA-N	0	0	369.425	1.318	10	30		FDEERN
Cc1nn(C)c(C)c1[C@H]1[C@H](CNc2cc(C)nc(C)c2C#N)CC(=O)N1C	ZINC000328610400	571324181	/nfs/dbraw/zinc/32/41/81/571324181.db2.gz	HREIMVREMOXWAV-MGPUTAFESA-N	0	0	366.469	1.974	10	30		FDEERN
COCCN1C(=O)N[C@@H]2CN(Cc3cn4ccccc4c3C#N)CC[C@@H]21	ZINC000299742931	571338296	/nfs/dbraw/zinc/33/82/96/571338296.db2.gz	JMUCMCABAKNFNE-AEFFLSMTSA-N	0	0	353.426	1.425	10	30		FDEERN
C#CCN(C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)C1CCCC1	ZINC000126371215	671758576	/nfs/dbraw/zinc/75/85/76/671758576.db2.gz	PKXSVUKBEIIWLH-ZDUSSCGKSA-N	0	0	359.451	1.518	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C	ZINC000184926102	672252294	/nfs/dbraw/zinc/25/22/94/672252294.db2.gz	LTVWRRZUUBCKBB-INIZCTEOSA-N	0	0	361.467	1.950	10	30		FDEERN
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000245441718	672443204	/nfs/dbraw/zinc/44/32/04/672443204.db2.gz	HOACSKAZKOKEBU-CABCVRRESA-N	0	0	352.479	1.984	10	30		FDEERN
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2C[C@H](F)C[C@H]2CO)cn1	ZINC000330178799	676676895	/nfs/dbraw/zinc/67/68/95/676676895.db2.gz	LXLPXQDWLOYUJP-COMQUAJESA-N	0	0	353.398	1.382	10	30		FDEERN
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1	ZINC000374449336	678081062	/nfs/dbraw/zinc/08/10/62/678081062.db2.gz	ATQDJBQOXMONHM-AAEUAGOBSA-N	0	0	353.448	1.463	10	30		FDEERN
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1	ZINC000374449337	678081106	/nfs/dbraw/zinc/08/11/06/678081106.db2.gz	ATQDJBQOXMONHM-DGCLKSJQSA-N	0	0	353.448	1.463	10	30		FDEERN
CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(C(=O)c2cccc(C#CCO)c2)C1	ZINC000908091348	854973548	/nfs/dbraw/zinc/97/35/48/854973548.db2.gz	CCRZKUGMSMKYGQ-SJORKVTESA-N	0	0	366.421	1.628	10	30		FDEERN
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C#N)cc2)CN1CC=C(C)C	ZINC000096131327	209116078	/nfs/dbraw/zinc/11/60/78/209116078.db2.gz	VYXKNNBSFNRYIF-ROUUACIJSA-N	0	0	354.454	1.833	10	30		FDEERN
CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(SCC#N)nnc1n(C)c2=O	ZINC000032986335	208063044	/nfs/dbraw/zinc/06/30/44/208063044.db2.gz	TYURTRJGNAJYBP-SNVBAGLBSA-N	0	0	370.438	1.725	10	30		FDEERN
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1Cl	ZINC000172764289	258284713	/nfs/dbraw/zinc/28/47/13/258284713.db2.gz	PYOYHSJKQVJEFB-CQSZACIVSA-N	0	0	362.817	1.083	10	30		FDEERN
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)n1	ZINC000091189783	172276519	/nfs/dbraw/zinc/27/65/19/172276519.db2.gz	VRLQABNLBPNUKE-AWEZNQCLSA-N	0	0	353.382	1.914	10	30		FDEERN
Cc1cnn(C[C@H]2CN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CCO2)c1	ZINC000106198850	172433250	/nfs/dbraw/zinc/43/32/50/172433250.db2.gz	NXQKEJDYRNKAKA-MAUKXSAKSA-N	0	0	353.426	1.791	10	30		FDEERN
CCn1cc(C2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cn1	ZINC000131880092	173215678	/nfs/dbraw/zinc/21/56/78/173215678.db2.gz	UPNBZTASHNJPJF-UHFFFAOYSA-N	0	0	365.437	1.911	10	30		FDEERN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000155308876	173534548	/nfs/dbraw/zinc/53/45/48/173534548.db2.gz	HGFUEQLKUDLFNN-OCCSQVGLSA-N	0	0	355.398	1.715	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)Nc3cccc(C#N)c3)C2=O)n(C)n1	ZINC000174443495	173935224	/nfs/dbraw/zinc/93/52/24/173935224.db2.gz	JEONCUFWCUJZLD-OAHLLOKOSA-N	0	0	352.398	1.917	10	30		FDEERN
Cc1nnc([C@@H]2CN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)[nH]1	ZINC000180238718	258365020	/nfs/dbraw/zinc/36/50/20/258365020.db2.gz	HGZYVCFRTQKJKH-KRWDZBQOSA-N	0	0	363.425	1.959	10	30		FDEERN
Cc1nnc([C@@H]2CN(C(=O)[C@H](Oc3ccccc3C#N)C(C)C)CCO2)[nH]1	ZINC000173550229	258302643	/nfs/dbraw/zinc/30/26/43/258302643.db2.gz	VKYACECMVGVDKP-DLBZAZTESA-N	0	0	369.425	1.988	10	30		FDEERN
CCc1nnc(NCCNc2cc(C)nc3ncnn32)c(C#N)c1CC	ZINC000301626882	259030913	/nfs/dbraw/zinc/03/09/13/259030913.db2.gz	QNROFCBGAVGEDL-UHFFFAOYSA-N	0	0	351.418	1.743	10	30		FDEERN
Cn1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c([C@H]2CCOC2)n1	ZINC000330336117	259140082	/nfs/dbraw/zinc/14/00/82/259140082.db2.gz	SDGMTMRTOABLBN-AWEZNQCLSA-N	0	0	352.394	1.699	10	30		FDEERN
C/N=C1\S/C(=C\c2ccc(OCC(=O)OC)c(OC)c2)C(=O)N1C	ZINC000101855792	518573985	/nfs/dbraw/zinc/57/39/85/518573985.db2.gz	LVEADERPIWDLRG-WCZHDPDVSA-N	0	0	350.396	1.779	10	30		FDEERN
COc1ccc(OC)c(S(=O)(=O)NN=Cc2ccc3c(c2)OCO3)c1	ZINC000015894638	518738360	/nfs/dbraw/zinc/73/83/60/518738360.db2.gz	OMSMAXKIBVRGHG-UHFFFAOYSA-N	0	0	364.379	1.745	10	30		FDEERN
C=CCOC(=O)C1=C(C)N(C)C(=O)[C@@]12c1ccccc1-c1oc(N)nc12	ZINC000020569026	518969226	/nfs/dbraw/zinc/96/92/26/518969226.db2.gz	FOPRHAQKEMTABW-IBGZPJMESA-N	0	0	351.362	1.999	10	30		FDEERN
C[C@H](C#N)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	ZINC000068926028	521762365	/nfs/dbraw/zinc/76/23/65/521762365.db2.gz	ZVKRGKAXNKSMEF-CYBMUJFWSA-N	0	0	361.467	1.604	10	30		FDEERN
CC(=O)c1cc(C(=O)N2CCCN(c3ncccc3C#N)CC2)n(C)c1	ZINC000056352841	521843176	/nfs/dbraw/zinc/84/31/76/521843176.db2.gz	NFABOBLBKYDUJI-UHFFFAOYSA-N	0	0	351.410	1.847	10	30		FDEERN
N#Cc1ccc(N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000054370204	523630116	/nfs/dbraw/zinc/63/01/16/523630116.db2.gz	PUUSVCSDGUHFGL-HOCLYGCPSA-N	0	0	358.310	1.881	10	30		FDEERN
CC(=O)N[C@@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000068322551	523758858	/nfs/dbraw/zinc/75/88/58/523758858.db2.gz	XHKZWVDLDHSJRA-MRXNPFEDSA-N	0	0	366.425	1.283	10	30		FDEERN
CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CCN1CCOC	ZINC000172017839	524093386	/nfs/dbraw/zinc/09/33/86/524093386.db2.gz	UROGCKQMIXQRPW-MRXNPFEDSA-N	0	0	358.442	1.374	10	30		FDEERN
Cc1cn(-c2ccc(N3C[C@H](COS(C)(=O)=O)OC3=O)cc2F)cn1	ZINC000082132034	524214068	/nfs/dbraw/zinc/21/40/68/524214068.db2.gz	HJBYJDKDSCRRGX-GFCCVEGCSA-N	0	0	369.374	1.621	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)n1	ZINC000173351627	524371495	/nfs/dbraw/zinc/37/14/95/524371495.db2.gz	KENZFHLPFZIMEJ-CYBMUJFWSA-N	0	0	372.433	1.653	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)NCCOc3ccc(C#N)cc3)CCO2)c1	ZINC000173797050	524458075	/nfs/dbraw/zinc/45/80/75/524458075.db2.gz	XPPSHJRUKOXCLL-GOSISDBHSA-N	0	0	369.425	1.553	10	30		FDEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1	ZINC000151090027	524523917	/nfs/dbraw/zinc/52/39/17/524523917.db2.gz	LBXKGYBTQGVNDB-GDBMZVCRSA-N	0	0	352.456	1.432	10	30		FDEERN
COc1ccc(C#N)cc1CN1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000159933711	524771927	/nfs/dbraw/zinc/77/19/27/524771927.db2.gz	HUBGZPYUYRKQRZ-HXUWFJFHSA-N	0	0	372.513	1.794	10	30		FDEERN
C=CCOc1ccccc1CNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1	ZINC000175525976	524972203	/nfs/dbraw/zinc/97/22/03/524972203.db2.gz	WUPPBZRJOISEJA-MRXNPFEDSA-N	0	0	357.414	1.961	10	30		FDEERN
C#CCOc1ccc(Br)cc1[C@H]1NC(=O)[C@@H]2COCCN21	ZINC000093883213	525003655	/nfs/dbraw/zinc/00/36/55/525003655.db2.gz	VVQWCIDOGZCCJU-JSGCOSHPSA-N	0	0	351.200	1.290	10	30		FDEERN
N#C[C@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CCN1Cc1ccccc1	ZINC000161118648	525036874	/nfs/dbraw/zinc/03/68/74/525036874.db2.gz	KWBNNOSTLADSMO-SJORKVTESA-N	0	0	365.441	1.012	10	30		FDEERN
COC(=O)CN(CC#N)C[C@@H](O)COc1cccc(Br)c1	ZINC000177616540	525319198	/nfs/dbraw/zinc/31/91/98/525319198.db2.gz	SETANOIPLIRPBT-GFCCVEGCSA-N	0	0	357.204	1.187	10	30		FDEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)C#Cc1ccc3c(c1)OCO3)CC2	ZINC000178071316	525380191	/nfs/dbraw/zinc/38/01/91/525380191.db2.gz	QHFURVIPIKCTSA-AWEZNQCLSA-N	0	0	352.394	1.613	10	30		FDEERN
N#CCCn1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2nccs2)n1	ZINC000127187381	525394249	/nfs/dbraw/zinc/39/42/49/525394249.db2.gz	ULIMKQGQQIUVKA-GFCCVEGCSA-N	0	0	358.427	1.946	10	30		FDEERN
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)cc1	ZINC000105283599	525488599	/nfs/dbraw/zinc/48/85/99/525488599.db2.gz	FIXWDVKWOORIQT-GOSISDBHSA-N	0	0	372.469	1.953	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2CO)ccc1F	ZINC000179248119	525548344	/nfs/dbraw/zinc/54/83/44/525548344.db2.gz	BMHCROZEMILZPZ-UKRRQHHQSA-N	0	0	370.446	1.571	10	30		FDEERN
N#Cc1ccsc1NC(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000106096650	525576121	/nfs/dbraw/zinc/57/61/21/525576121.db2.gz	MULMIZZTYYZGGI-KRWDZBQOSA-N	0	0	370.478	1.909	10	30		FDEERN
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2nc3cc(C)ccc3o2)CC1	ZINC000106095095	525576497	/nfs/dbraw/zinc/57/64/97/525576497.db2.gz	VUEAYZMCEJVKLJ-AWEZNQCLSA-N	0	0	371.441	1.659	10	30		FDEERN
COCCN1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1C	ZINC000106108555	525599632	/nfs/dbraw/zinc/59/96/32/525599632.db2.gz	IMUOTWNMJUPSTM-ZDUSSCGKSA-N	0	0	350.850	1.803	10	30		FDEERN
COCCN1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000106110141	525600303	/nfs/dbraw/zinc/60/03/03/525600303.db2.gz	NDRKGUFSSRVWMZ-CYBMUJFWSA-N	0	0	350.850	1.803	10	30		FDEERN
CCOCCN1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C	ZINC000106112739	525603559	/nfs/dbraw/zinc/60/35/59/525603559.db2.gz	GGAWRKTZDPUXHW-KRWDZBQOSA-N	0	0	350.507	1.714	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)n1	ZINC000106133528	525623453	/nfs/dbraw/zinc/62/34/53/525623453.db2.gz	KDMZZNZORZHPLP-RHSMWYFYSA-N	0	0	371.441	1.368	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000106135728	525625843	/nfs/dbraw/zinc/62/58/43/525625843.db2.gz	YGSVSCCQHMIOIR-ZIAGYGMSSA-N	0	0	368.441	1.956	10	30		FDEERN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(c2nccc(OCC)n2)CC1	ZINC000106152423	525635385	/nfs/dbraw/zinc/63/53/85/525635385.db2.gz	BEMKDMRMXDYDFH-INIZCTEOSA-N	0	0	361.490	1.810	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H]1Cn1ccnc1C	ZINC000184969955	536194440	/nfs/dbraw/zinc/19/44/40/536194440.db2.gz	SIMXDWIVYHEHDQ-INIZCTEOSA-N	0	0	366.421	1.833	10	30		FDEERN
N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1	ZINC000185706429	536215671	/nfs/dbraw/zinc/21/56/71/536215671.db2.gz	REJGNXBUWBHBOP-ZDUSSCGKSA-N	0	0	365.846	1.904	10	30		FDEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000188296873	536289133	/nfs/dbraw/zinc/28/91/33/536289133.db2.gz	HSAZQEHODSLKJW-CQSZACIVSA-N	0	0	366.425	1.651	10	30		FDEERN
N#CCC1(O)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)C1	ZINC000188677346	536925824	/nfs/dbraw/zinc/92/58/24/536925824.db2.gz	RMMIAUGTUHCFNW-OAHLLOKOSA-N	0	0	369.446	1.576	10	30		FDEERN
C[C@H](C#N)CNC(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000190152480	537147328	/nfs/dbraw/zinc/14/73/28/537147328.db2.gz	HNFSLCGSEYSTHI-HUUCEWRRSA-N	0	0	352.479	1.984	10	30		FDEERN
C[C@@H]1CN([C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)c2cccs2)CCO1	ZINC000248357557	537173449	/nfs/dbraw/zinc/17/34/49/537173449.db2.gz	PQBDXHRGDMIJAA-ILXRZTDVSA-N	0	0	364.471	1.444	10	30		FDEERN
C=CCNC(=O)NC(=O)CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1	ZINC000195400281	537408078	/nfs/dbraw/zinc/40/80/78/537408078.db2.gz	FHJPBUIRHHRWRF-LBPRGKRZSA-N	0	0	366.487	1.826	10	30		FDEERN
C[C@](C#N)(NC(=O)CN1CCCC[C@@H]1c1nnc2n1CCCC2)C1CC1	ZINC000195510655	537415841	/nfs/dbraw/zinc/41/58/41/537415841.db2.gz	DEDCMVSOJNQWQE-DNVCBOLYSA-N	0	0	356.474	1.950	10	30		FDEERN
Cc1nnc(CN(C)[C@H]2CN(C(=O)Nc3cc(C)cc(C)n3)C[C@H]2O)o1	ZINC000328635804	571149079	/nfs/dbraw/zinc/14/90/79/571149079.db2.gz	NPLWWWFRKNQSLJ-UONOGXRCSA-N	0	0	360.418	1.112	10	30		FDEERN
COCCN1CCN(C(=O)Nc2ccc(F)cc2OCC#N)C[C@@H]1C	ZINC000135304440	671835676	/nfs/dbraw/zinc/83/56/76/671835676.db2.gz	QSNTYPRPQZJYKO-ZDUSSCGKSA-N	0	0	350.394	1.912	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2cccc(Br)c2C#N)CCO1	ZINC000263417078	672874513	/nfs/dbraw/zinc/87/45/13/672874513.db2.gz	OGDBTUPUOHQNAG-NSHDSACASA-N	0	0	368.231	1.542	10	30		FDEERN
CCn1cc([C@H]2CN(CC(=O)Nc3oc(C)c(C)c3C#N)CCO2)cn1	ZINC000190763820	178022186	/nfs/dbraw/zinc/02/21/86/178022186.db2.gz	DJVOZMCPQLIITC-MRXNPFEDSA-N	0	0	357.414	1.997	10	30		FDEERN
CCn1cc([C@@H]2CN(CCS(=O)(=O)c3cccc(C#N)c3)CCO2)cn1	ZINC000190819922	178025690	/nfs/dbraw/zinc/02/56/90/178025690.db2.gz	DCZXHTTYPVUCGC-SFHVURJKSA-N	0	0	374.466	1.622	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN3CCCC[C@H]3C2)cc1	ZINC000195055970	178237254	/nfs/dbraw/zinc/23/72/54/178237254.db2.gz	XUEQUHCDXONVDX-KRWDZBQOSA-N	0	0	361.467	1.170	10	30		FDEERN
C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(C)cc1	ZINC000010063363	210136382	/nfs/dbraw/zinc/13/63/82/210136382.db2.gz	DPKUXXLGZVMGEE-UHFFFAOYSA-N	0	0	374.466	1.717	10	30		FDEERN
C[C@H]1CN(C2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)CCO1	ZINC000075791276	172096211	/nfs/dbraw/zinc/09/62/11/172096211.db2.gz	PBZYPOYBYQQSQQ-HNNXBMFYSA-N	0	0	363.483	1.573	10	30		FDEERN
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCO[C@@H](c3ccco3)C2)n1	ZINC000091246458	172281836	/nfs/dbraw/zinc/28/18/36/172281836.db2.gz	RZPMSAAAAIJVID-CQSZACIVSA-N	0	0	357.370	1.467	10	30		FDEERN
CCCC(=O)N[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000102937047	172357000	/nfs/dbraw/zinc/35/70/00/172357000.db2.gz	KMEGVVBFJQNFJH-DOTOQJQBSA-N	0	0	368.437	1.571	10	30		FDEERN
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCN(c2cccnn2)CC1	ZINC000109631296	172504683	/nfs/dbraw/zinc/50/46/83/172504683.db2.gz	ZBHHJNKSVXTTPF-OAHLLOKOSA-N	0	0	351.410	1.854	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000127444055	173076624	/nfs/dbraw/zinc/07/66/24/173076624.db2.gz	WBJSIEKTRWDMDE-WMLDXEAASA-N	0	0	355.442	1.916	10	30		FDEERN
CCOc1cc(C)nc(N2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000127458318	173077655	/nfs/dbraw/zinc/07/76/55/173077655.db2.gz	OLZRWINVJGGRMH-SFHVURJKSA-N	0	0	367.453	1.911	10	30		FDEERN
CCOc1ccnc(N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)n1	ZINC000171816281	173900055	/nfs/dbraw/zinc/90/00/55/173900055.db2.gz	ATUZUBGPFZPYMB-UHFFFAOYSA-N	0	0	351.410	1.638	10	30		FDEERN
N#Cc1c[nH]c(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)c1	ZINC000175703010	174021388	/nfs/dbraw/zinc/02/13/88/174021388.db2.gz	CERUZGBYRXKPRT-MRXNPFEDSA-N	0	0	354.410	1.084	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)CC2	ZINC000175993853	174043355	/nfs/dbraw/zinc/04/33/55/174043355.db2.gz	RWBNQWOCARWYHQ-ZDUSSCGKSA-N	0	0	370.388	1.482	10	30		FDEERN
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCO[C@H](c2nccs2)C1	ZINC000176009283	174044142	/nfs/dbraw/zinc/04/41/42/174044142.db2.gz	WCWHNFXOCJFYAD-ZDUSSCGKSA-N	0	0	360.370	1.692	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)CCN2CCC(Nc3cccnn3)CC2)cc1	ZINC000176232118	174060138	/nfs/dbraw/zinc/06/01/38/174060138.db2.gz	LXDZTBRIKKXABI-UHFFFAOYSA-N	0	0	371.466	1.698	10	30		FDEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN([C@H](C)c2nc(C)no2)CC1	ZINC000177055622	174104301	/nfs/dbraw/zinc/10/43/01/174104301.db2.gz	BQTBGAGMQPXADS-CXAGYDPISA-N	0	0	369.425	1.843	10	30		FDEERN
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CCCn3ncnc32)CC1	ZINC000177336947	174122202	/nfs/dbraw/zinc/12/22/02/174122202.db2.gz	BEWYVJRRJYWMNF-HNNXBMFYSA-N	0	0	369.404	1.656	10	30		FDEERN
Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3cc(C#N)ccc3C)C2)no1	ZINC000177590438	174142550	/nfs/dbraw/zinc/14/25/50/174142550.db2.gz	XGXQBPLPQXXBKQ-HNNXBMFYSA-N	0	0	367.409	1.978	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(C#N)cc3C)C2=O)n(C)n1	ZINC000178737566	258333956	/nfs/dbraw/zinc/33/39/56/258333956.db2.gz	KFEFNSIZQBTYQI-MRXNPFEDSA-N	0	0	351.410	1.834	10	30		FDEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](n2cncn2)C1	ZINC000178824224	258336887	/nfs/dbraw/zinc/33/68/87/258336887.db2.gz	MHDKTDNIJCNRLN-NSHDSACASA-N	0	0	351.819	1.829	10	30		FDEERN
Cc1c(Cl)cnc(NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)c1C#N	ZINC000556693664	544177162	/nfs/dbraw/zinc/17/71/62/544177162.db2.gz	JKBOGVOUMNMPRZ-XHDPSFHLSA-N	0	0	358.833	2.280	10	30		FDEERN
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccccc2C#N)CC1	ZINC000095087026	221847263	/nfs/dbraw/zinc/84/72/63/221847263.db2.gz	PTMFZVHXKXADJN-UHFFFAOYSA-N	0	0	365.455	1.941	10	30		FDEERN
COCc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)n2ncnc2n1	ZINC000301149907	259021963	/nfs/dbraw/zinc/02/19/63/259021963.db2.gz	MEYSGROTSLZXKA-UHFFFAOYSA-N	0	0	364.413	1.618	10	30		FDEERN
CNS(=O)(=O)c1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)nc1	ZINC000301239868	259024194	/nfs/dbraw/zinc/02/41/94/259024194.db2.gz	LYIGMYYWUMTUMS-UHFFFAOYSA-N	0	0	371.466	1.942	10	30		FDEERN
CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCC#N)nnc1n(C)c2=O	ZINC000032986337	519559869	/nfs/dbraw/zinc/55/98/69/519559869.db2.gz	TYURTRJGNAJYBP-JTQLQIEISA-N	0	0	370.438	1.725	10	30		FDEERN
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CO[C@@H]4OC[C@](C)(CC[C@@H]1OC3=O)[C@@H]42	ZINC000034769099	519595784	/nfs/dbraw/zinc/59/57/84/519595784.db2.gz	VITOUEAQSWAQLD-ZIFJAMSESA-N	0	0	360.406	1.213	10	30	biogenic	FDEERN
CCn1cc(NC(=O)C2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cn1	ZINC000068959666	521769031	/nfs/dbraw/zinc/76/90/31/521769031.db2.gz	KORYZVGPLLZBJZ-IBGZPJMESA-N	0	0	374.489	1.608	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)CCO2)n1	ZINC000157434839	524273068	/nfs/dbraw/zinc/27/30/68/524273068.db2.gz	JMIFBRFHBLDCHF-INIZCTEOSA-N	0	0	360.439	1.461	10	30		FDEERN
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCc2ncnn2C1	ZINC000157537451	524293256	/nfs/dbraw/zinc/29/32/56/524293256.db2.gz	GLMFZPZESJHEGI-LLVKDONJSA-N	0	0	371.344	1.462	10	30		FDEERN
CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccccc2OCC#N)ncn1	ZINC000173416566	524379909	/nfs/dbraw/zinc/37/99/09/524379909.db2.gz	CKSZXHNKVGWUBA-CQSZACIVSA-N	0	0	366.425	1.819	10	30		FDEERN
CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(CC#N)c2)ncn1	ZINC000173440608	524390361	/nfs/dbraw/zinc/39/03/61/524390361.db2.gz	NYLGYCOLIIHIHW-INIZCTEOSA-N	0	0	350.426	1.983	10	30		FDEERN
C[C@H](C#N)NC(=O)c1cnc2ccc(I)cc2c1O	ZINC000151116642	524526803	/nfs/dbraw/zinc/52/68/03/524526803.db2.gz	UYYGAWQSMUBYHF-SSDOTTSWSA-N	0	0	367.146	1.775	10	30		FDEERN
C=CCCOCCNC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000122655064	524583999	/nfs/dbraw/zinc/58/39/99/524583999.db2.gz	SLBSUJHTBSWOMM-GOSISDBHSA-N	0	0	368.522	1.016	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)CC2	ZINC000114874369	524902228	/nfs/dbraw/zinc/90/22/28/524902228.db2.gz	OVSNXYLNYRDPEJ-NSHDSACASA-N	0	0	365.846	1.659	10	30		FDEERN
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)c(F)c1	ZINC000161159022	525045366	/nfs/dbraw/zinc/04/53/66/525045366.db2.gz	DAAOASNLSCLPFY-AWEZNQCLSA-N	0	0	369.404	1.135	10	30		FDEERN
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c1	ZINC000176104372	525053871	/nfs/dbraw/zinc/05/38/71/525053871.db2.gz	PTRJOHUARVOHJB-OAHLLOKOSA-N	0	0	355.398	1.823	10	30		FDEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1	ZINC000116229641	525120619	/nfs/dbraw/zinc/12/06/19/525120619.db2.gz	FNGKFMRDGKZQQA-HNNXBMFYSA-N	0	0	374.466	1.514	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)c1	ZINC000177588984	525315457	/nfs/dbraw/zinc/31/54/57/525315457.db2.gz	BBKNFLDTUJAQRN-HNNXBMFYSA-N	0	0	352.394	1.779	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1C	ZINC000117368982	525327653	/nfs/dbraw/zinc/32/76/53/525327653.db2.gz	MKOHENUMVYHXSX-ZDUSSCGKSA-N	0	0	371.890	1.943	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C	ZINC000117369125	525327706	/nfs/dbraw/zinc/32/77/06/525327706.db2.gz	RTPATWNFNUMWJX-ZDUSSCGKSA-N	0	0	355.435	1.429	10	30		FDEERN
COCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@@H]1C	ZINC000117522892	525360620	/nfs/dbraw/zinc/36/06/20/525360620.db2.gz	IIJMYSZITDMVDP-LBPRGKRZSA-N	0	0	364.833	1.329	10	30		FDEERN
C[C@@H]1CC[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)O1	ZINC000128715040	525573259	/nfs/dbraw/zinc/57/32/59/525573259.db2.gz	AVIUVLBYVZDFJN-DYVFJYSZSA-N	0	0	353.426	1.942	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000119542669	525782036	/nfs/dbraw/zinc/78/20/36/525782036.db2.gz	JCKDZYVGVPNPHY-CQSZACIVSA-N	0	0	352.398	1.343	10	30		FDEERN
CN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2cccnn2)C1	ZINC000119809289	525872771	/nfs/dbraw/zinc/87/27/71/525872771.db2.gz	PCDOLQQKLSXILY-MRXNPFEDSA-N	0	0	364.405	1.684	10	30		FDEERN
Cc1nc(C[NH+]=C([O-])NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)no1	ZINC000328642895	526848392	/nfs/dbraw/zinc/84/83/92/526848392.db2.gz	YQAJUNSKHARVEH-SECBINFHSA-N	0	0	358.324	1.860	10	30		FDEERN
C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1N1CCOCC1	ZINC000246364886	536936178	/nfs/dbraw/zinc/93/61/78/536936178.db2.gz	HAGWQJBHXONPNP-RHSMWYFYSA-N	0	0	353.426	1.761	10	30		FDEERN
C=C(C)CS(=O)(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1	ZINC000189627479	537075458	/nfs/dbraw/zinc/07/54/58/537075458.db2.gz	WHMMKQXZKGSZKD-UHFFFAOYSA-N	0	0	360.911	1.659	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C	ZINC000247181692	537091074	/nfs/dbraw/zinc/09/10/74/537091074.db2.gz	RTPATWNFNUMWJX-CYBMUJFWSA-N	0	0	355.435	1.429	10	30		FDEERN
C[C@H](O)CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1C	ZINC000248394092	537176842	/nfs/dbraw/zinc/17/68/42/537176842.db2.gz	MTKSFBVGAKVLEO-KGLIPLIRSA-N	0	0	369.429	1.058	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1N1CCOCC1	ZINC000248553349	537190765	/nfs/dbraw/zinc/19/07/65/537190765.db2.gz	LAOMGBDNOVCQGK-SWLSCSKDSA-N	0	0	369.874	1.553	10	30		FDEERN
Cc1cc(C#N)nc(N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)n1	ZINC000583618164	551377658	/nfs/dbraw/zinc/37/76/58/551377658.db2.gz	JJFWWOYJMKJRLU-RHSMWYFYSA-N	0	0	351.414	1.697	10	30		FDEERN
Cc1nnc(CN(C)[C@@H]2CN(C(=O)Nc3cc(C)cc(C)n3)C[C@H]2O)o1	ZINC000328635805	571149058	/nfs/dbraw/zinc/14/90/58/571149058.db2.gz	NPLWWWFRKNQSLJ-ZIAGYGMSSA-N	0	0	360.418	1.112	10	30		FDEERN
COCCN(C)c1cnn([C@@H]2CCCN(c3cccc(C#N)n3)C2)c(=O)c1	ZINC000328605762	571323998	/nfs/dbraw/zinc/32/39/98/571323998.db2.gz	PAFCWTQFNIKUPK-MRXNPFEDSA-N	0	0	368.441	1.434	10	30		FDEERN
C=CCn1c(C)nn(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1=S	ZINC000152629412	671887040	/nfs/dbraw/zinc/88/70/40/671887040.db2.gz	BHFHYTWZZXTMDI-LBPRGKRZSA-N	0	0	363.491	1.936	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ccc(C#N)cc2Br)CCO1	ZINC000262077239	672721874	/nfs/dbraw/zinc/72/18/74/672721874.db2.gz	DJYJTFBTHKPVKT-LBPRGKRZSA-N	0	0	368.231	1.542	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CCO1	ZINC000262130907	672732090	/nfs/dbraw/zinc/73/20/90/672732090.db2.gz	NWLPOXFYTVIYNE-GFCCVEGCSA-N	0	0	357.332	1.799	10	30		FDEERN
N#Cc1c(Br)cccc1NCC[C@H]1CNCCS1(=O)=O	ZINC000721810791	820555031	/nfs/dbraw/zinc/55/50/31/820555031.db2.gz	BNOUDIVLRFSRFP-JTQLQIEISA-N	0	0	358.261	1.509	10	30		FDEERN
N#Cc1ccc(OCc2cccc(C(=O)N3CCOC[C@H]3CO)c2)cc1	ZINC000912422400	859753170	/nfs/dbraw/zinc/75/31/70/859753170.db2.gz	UVMSPMANZKTXJJ-GOSISDBHSA-N	0	0	352.390	1.971	10	30		FDEERN
CCn1cc([C@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3C)CCO2)cn1	ZINC000190530975	178008362	/nfs/dbraw/zinc/00/83/62/178008362.db2.gz	FZTWDXGUAQJRLO-QGZVFWFLSA-N	0	0	367.409	1.622	10	30		FDEERN
C=CCn1cnc2c1c(=O)n(C[C@@H]1CCCO1)c(=O)n2-c1ccc(F)cc1	ZINC000034693096	210171087	/nfs/dbraw/zinc/17/10/87/210171087.db2.gz	UGDFNXOVWXJIQF-HNNXBMFYSA-N	0	0	370.384	1.853	10	30		FDEERN
N#Cc1cc([N+](=O)[O-])ccc1N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000053898826	221049623	/nfs/dbraw/zinc/04/96/23/221049623.db2.gz	FAOXCGSKXBIWCU-HZPDHXFCSA-N	0	0	358.310	1.881	10	30		FDEERN
Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)n1	ZINC000185739788	177708616	/nfs/dbraw/zinc/70/86/16/177708616.db2.gz	BEVUSCSXHHXDFC-LBPRGKRZSA-N	0	0	368.802	1.665	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1N1CCOCC1	ZINC000125858976	173020628	/nfs/dbraw/zinc/02/06/28/173020628.db2.gz	UYRJWHOQBLJBBR-DOMZBBRYSA-N	0	0	369.874	1.553	10	30		FDEERN
CC(C)[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)N1CCOCC1	ZINC000133302120	173260302	/nfs/dbraw/zinc/26/03/02/173260302.db2.gz	QCTWLMRPCQNZID-LJQANCHMSA-N	0	0	372.469	1.688	10	30		FDEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000136159354	173357758	/nfs/dbraw/zinc/35/77/58/173357758.db2.gz	BIWBRNUPISCWNM-CYBMUJFWSA-N	0	0	360.389	1.543	10	30		FDEERN
COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000136828928	173365277	/nfs/dbraw/zinc/36/52/77/173365277.db2.gz	HFBGGQNXRIVMPR-AWEZNQCLSA-N	0	0	369.425	1.792	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cc3)CCO2)c1	ZINC000176234104	174060360	/nfs/dbraw/zinc/06/03/60/174060360.db2.gz	QZCOBIAAUJWCDW-KRWDZBQOSA-N	0	0	374.466	1.238	10	30		FDEERN
Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3cc(C#N)ccc3C)C2)no1	ZINC000177590419	174142861	/nfs/dbraw/zinc/14/28/61/174142861.db2.gz	XGXQBPLPQXXBKQ-OAHLLOKOSA-N	0	0	367.409	1.978	10	30		FDEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(Nc2cccnn2)CC1	ZINC000178518990	174192433	/nfs/dbraw/zinc/19/24/33/174192433.db2.gz	IFZQFIUTZHCOGH-UHFFFAOYSA-N	0	0	364.409	1.698	10	30		FDEERN
Cc1noc([C@@H]2COCCN2S(=O)(=O)c2c(F)cc(C#N)cc2F)n1	ZINC000183748904	177596996	/nfs/dbraw/zinc/59/69/96/177596996.db2.gz	NQLFLPLRTVOABI-LBPRGKRZSA-N	0	0	370.337	1.290	10	30		FDEERN
CCc1nnc(NCc2ccc(S(=O)(=O)NC)cc2)c(C#N)c1CC	ZINC000301633104	259030939	/nfs/dbraw/zinc/03/09/39/259030939.db2.gz	UVAZKRVJORKCIF-UHFFFAOYSA-N	0	0	359.455	1.993	10	30		FDEERN
CC(=O)c1ccc(C#N)c(N2CCN(c3ccc4nnc(C)n4n3)CC2)c1	ZINC000302105706	259038924	/nfs/dbraw/zinc/03/89/24/259038924.db2.gz	NMCLTWGBBUHBGG-UHFFFAOYSA-N	0	0	361.409	1.834	10	30		FDEERN
C[C@@H](CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCCCC1=O	ZINC000328697836	259054284	/nfs/dbraw/zinc/05/42/84/259054284.db2.gz	LMOQGZYSMDTGAM-HNNXBMFYSA-N	0	0	355.442	1.393	10	30		FDEERN
C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)[C@@H](O)C[C@@H]2OC3=O	ZINC000004097892	518286991	/nfs/dbraw/zinc/28/69/91/518286991.db2.gz	MQOJPNKACWKUGI-CDKPERABSA-N	0	0	362.422	1.195	10	30	biogenic,in-vitro	FDEERN
C[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)N1CCOCC1	ZINC000046261803	522263379	/nfs/dbraw/zinc/26/33/79/522263379.db2.gz	IDMCZXOTJRHCLQ-KRWDZBQOSA-N	0	0	371.485	1.501	10	30		FDEERN
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1	ZINC000058968766	522324655	/nfs/dbraw/zinc/32/46/55/522324655.db2.gz	IMVLTZPTWBXUAN-MRXNPFEDSA-N	0	0	356.403	1.462	10	30		FDEERN
CCOCCN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C[C@@H]1C	ZINC000172346433	524206868	/nfs/dbraw/zinc/20/68/68/524206868.db2.gz	LRUOFPKJIIYTOY-HNNXBMFYSA-N	0	0	358.442	1.374	10	30		FDEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@H](c2nccs2)C1	ZINC000157428246	524271394	/nfs/dbraw/zinc/27/13/94/524271394.db2.gz	PFHWPQOZFHIWQR-LBPRGKRZSA-N	0	0	353.400	1.916	10	30		FDEERN
CCc1nnc([C@H]2CN(C(=O)Cc3ccc(OCC#N)cc3)CCO2)[nH]1	ZINC000173556410	524415984	/nfs/dbraw/zinc/41/59/84/524415984.db2.gz	ZOQQJXXXVILCLQ-OAHLLOKOSA-N	0	0	355.398	1.412	10	30		FDEERN
Cc1nnc([C@H]2CN(CC(=O)N(CCC#N)c3ccccc3)CCO2)[nH]1	ZINC000173666525	524432572	/nfs/dbraw/zinc/43/25/72/524432572.db2.gz	SZPFTAGZSMQXIO-MRXNPFEDSA-N	0	0	354.414	1.433	10	30		FDEERN
N#CCCN(C(=O)CCC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1	ZINC000112652348	524524677	/nfs/dbraw/zinc/52/46/77/524524677.db2.gz	YRYUOWKZNNGIJR-OAHLLOKOSA-N	0	0	366.425	1.436	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)CC2	ZINC000159370611	524654276	/nfs/dbraw/zinc/65/42/76/524654276.db2.gz	ZIBZARDCNYHAIH-OAHLLOKOSA-N	0	0	359.455	1.708	10	30		FDEERN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1	ZINC000113886059	524723439	/nfs/dbraw/zinc/72/34/39/524723439.db2.gz	RBERIFYWHIUAOL-KRWDZBQOSA-N	0	0	372.450	1.689	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)cc1Cl	ZINC000114209438	524758884	/nfs/dbraw/zinc/75/88/84/524758884.db2.gz	KIFIDGNXQJYIDS-GFCCVEGCSA-N	0	0	351.819	1.829	10	30		FDEERN
N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1	ZINC000123610045	524790082	/nfs/dbraw/zinc/79/00/82/524790082.db2.gz	IKDPYRSGOGOKRY-WDEREUQCSA-N	0	0	357.336	1.973	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1	ZINC000174946343	524808794	/nfs/dbraw/zinc/80/87/94/524808794.db2.gz	XXQCCAJCSSBYSN-UHFFFAOYSA-N	0	0	370.384	1.906	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)CC2	ZINC000114862026	524897167	/nfs/dbraw/zinc/89/71/67/524897167.db2.gz	XPVOIHPUSQGPKT-OAHLLOKOSA-N	0	0	369.473	1.631	10	30		FDEERN
CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)CCCC#N	ZINC000175213007	524903879	/nfs/dbraw/zinc/90/38/79/524903879.db2.gz	FITQKZBSURJWFM-AWEZNQCLSA-N	0	0	357.501	1.687	10	30		FDEERN
COc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(CC#N)CC1)C(C)C	ZINC000152764489	524996568	/nfs/dbraw/zinc/99/65/68/524996568.db2.gz	AXJHZPKEATUSPR-QGZVFWFLSA-N	0	0	358.442	1.117	10	30		FDEERN
CC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)c2cc(C#N)ccn2)C1	ZINC000095084196	525027700	/nfs/dbraw/zinc/02/77/00/525027700.db2.gz	FEVHWFHOOGWMPA-CYBMUJFWSA-N	0	0	351.428	1.984	10	30		FDEERN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1	ZINC000125696904	525227578	/nfs/dbraw/zinc/22/75/78/525227578.db2.gz	VFAQSNIMLUXELU-UHFFFAOYSA-N	0	0	372.450	1.341	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1CC	ZINC000116899071	525247590	/nfs/dbraw/zinc/24/75/90/525247590.db2.gz	LIOXLAVCWANUCB-INIZCTEOSA-N	0	0	351.472	1.680	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1CC	ZINC000116899355	525248019	/nfs/dbraw/zinc/24/80/19/525248019.db2.gz	TVBAGSHZRIGBAL-SFHVURJKSA-N	0	0	365.499	1.821	10	30		FDEERN
N#CCCn1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2nccs2)n1	ZINC000127187630	525393466	/nfs/dbraw/zinc/39/34/66/525393466.db2.gz	ULIMKQGQQIUVKA-LBPRGKRZSA-N	0	0	358.427	1.946	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1cccc(OCC#N)c1)CC2	ZINC000129906287	525701974	/nfs/dbraw/zinc/70/19/74/525701974.db2.gz	QTZCWXMSWLANJJ-OAHLLOKOSA-N	0	0	353.426	1.978	10	30		FDEERN
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1	ZINC000171397706	525975874	/nfs/dbraw/zinc/97/58/74/525975874.db2.gz	FPSJHSIRMNNEAZ-MRXNPFEDSA-N	0	0	367.409	1.993	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cccc(C)c2C#N)C[C@@H]1C	ZINC000133275661	526040922	/nfs/dbraw/zinc/04/09/22/526040922.db2.gz	DMKLFSBUTXRVFW-HNNXBMFYSA-N	0	0	351.472	1.598	10	30		FDEERN
Cc1nc(CN2CCCN(C(=O)c3ccccc3OCC#N)CC2)no1	ZINC000171864078	526156890	/nfs/dbraw/zinc/15/68/90/526156890.db2.gz	FPLJQQFVEMDKDD-UHFFFAOYSA-N	0	0	355.398	1.629	10	30		FDEERN
NC(=O)Cn1cc(/C=N/NS(=O)(=O)c2ccc(F)cc2)c2ccccc21	ZINC000015933888	526913885	/nfs/dbraw/zinc/91/38/85/526913885.db2.gz	WODBYRKDHXJSRN-AWQFTUOYSA-N	0	0	374.397	1.578	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1	ZINC000184502426	536157772	/nfs/dbraw/zinc/15/77/72/536157772.db2.gz	YPSQPEQJKOKLCA-UHFFFAOYSA-N	0	0	352.394	1.766	10	30		FDEERN
C=CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1	ZINC000186382891	536233414	/nfs/dbraw/zinc/23/34/14/536233414.db2.gz	OLAGPIJLCBCGQB-CABCVRRESA-N	0	0	353.488	1.666	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1	ZINC000188299168	536289260	/nfs/dbraw/zinc/28/92/60/536289260.db2.gz	ISKLTLRUIBIDQN-HNNXBMFYSA-N	0	0	351.410	1.453	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCO1	ZINC000263419313	537029808	/nfs/dbraw/zinc/02/98/08/537029808.db2.gz	OYEGCIIESAXWQH-CQSZACIVSA-N	0	0	374.828	1.981	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1C	ZINC000247116061	537083592	/nfs/dbraw/zinc/08/35/92/537083592.db2.gz	NOZLOQNCCYAKDN-CYBMUJFWSA-N	0	0	371.890	1.943	10	30		FDEERN
CCn1cc([C@@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)CCO2)cn1	ZINC000191751743	537211861	/nfs/dbraw/zinc/21/18/61/537211861.db2.gz	KDRWZIKIRQOKQC-SFHVURJKSA-N	0	0	353.378	1.583	10	30		FDEERN
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1OS(C)(=O)=O	ZINC000215517186	537439332	/nfs/dbraw/zinc/43/93/32/537439332.db2.gz	IETHWOKVVDPXNT-GHMZBOCLSA-N	0	0	351.421	1.151	10	30		FDEERN
CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1OS(C)(=O)=O	ZINC000215517139	537439961	/nfs/dbraw/zinc/43/99/61/537439961.db2.gz	IETHWOKVVDPXNT-QWRGUYRKSA-N	0	0	351.421	1.151	10	30		FDEERN
C=C(Br)CNC(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1	ZINC000112135947	671636158	/nfs/dbraw/zinc/63/61/58/671636158.db2.gz	MZRZBRWKFOEITD-NSHDSACASA-N	0	0	372.267	1.929	10	30		FDEERN
C=CCn1c(C)nn(CN2CCN([C@H](C)c3nc(C)no3)CC2)c1=S	ZINC000152629321	671887036	/nfs/dbraw/zinc/88/70/36/671887036.db2.gz	BHFHYTWZZXTMDI-GFCCVEGCSA-N	0	0	363.491	1.936	10	30		FDEERN
C=C(Br)CNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O	ZINC000175958601	672108956	/nfs/dbraw/zinc/10/89/56/672108956.db2.gz	HSGGWCZTQWFWHM-LLVKDONJSA-N	0	0	370.251	1.432	10	30		FDEERN
CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccnc(C#N)c2)CC1	ZINC000194350298	178208051	/nfs/dbraw/zinc/20/80/51/178208051.db2.gz	ZQTZXOOZKSWMCG-UHFFFAOYSA-N	0	0	358.442	1.831	10	30		FDEERN
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1COc2ccccc21	ZINC000246798591	178451212	/nfs/dbraw/zinc/45/12/12/178451212.db2.gz	CYGZNVBAGHDAJU-BBRMVZONSA-N	0	0	364.409	1.702	10	30		FDEERN
CN(CC#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000072072261	210212858	/nfs/dbraw/zinc/21/28/58/210212858.db2.gz	PQFOZEMXFXAPMA-LBPRGKRZSA-N	0	0	355.847	1.723	10	30		FDEERN
CCNC(=O)[C@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(F)cc2)S1	ZINC000058944564	212014015	/nfs/dbraw/zinc/01/40/15/212014015.db2.gz	ZZKSAFSEYSAZIA-QCJHYCHESA-N	0	0	367.402	1.456	10	30		FDEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(c2ccnn2C)CC1	ZINC000172637906	258281692	/nfs/dbraw/zinc/28/16/92/258281692.db2.gz	ASXXBDVNFFEUFH-UHFFFAOYSA-N	0	0	351.410	1.945	10	30		FDEERN
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2cccnc2)CC1	ZINC000046483506	132302044	/nfs/dbraw/zinc/30/20/44/132302044.db2.gz	BTTHIQGEWQRMBY-UHFFFAOYSA-N	0	0	373.394	1.372	10	30		FDEERN
N#Cc1ccc([C@@H](O)Cn2cnc3c2ncnc3N2CCOCC2)cc1	ZINC000092857454	172308379	/nfs/dbraw/zinc/30/83/79/172308379.db2.gz	VSKCNAYOUUEEBC-HNNXBMFYSA-N	0	0	350.382	1.268	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(c3cc[nH]n3)CC2)cc1	ZINC000125793422	173019534	/nfs/dbraw/zinc/01/95/34/173019534.db2.gz	WCYLRPFGIFMMOM-UHFFFAOYSA-N	0	0	372.450	1.602	10	30		FDEERN
CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000175975044	174040728	/nfs/dbraw/zinc/04/07/28/174040728.db2.gz	DMBVTPQHLOYOBI-AWEZNQCLSA-N	0	0	360.389	1.543	10	30		FDEERN
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCn2ncnc21	ZINC000177322020	174121456	/nfs/dbraw/zinc/12/14/56/174121456.db2.gz	JPNOWPKEGZHGKM-MRXNPFEDSA-N	0	0	354.414	1.843	10	30		FDEERN
N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c(F)c1	ZINC000180981169	174199835	/nfs/dbraw/zinc/19/98/35/174199835.db2.gz	SGHJNNNQIDVICW-NSHDSACASA-N	0	0	367.381	1.529	10	30		FDEERN
Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1C#N	ZINC000174947117	258323880	/nfs/dbraw/zinc/32/38/80/258323880.db2.gz	RWSYUXIZEBPRBP-CYBMUJFWSA-N	0	0	366.425	1.651	10	30		FDEERN
N#Cc1ccc(C(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)cc1	ZINC000096084645	222017803	/nfs/dbraw/zinc/01/78/03/222017803.db2.gz	OAIWYMZMLMPPOE-UHFFFAOYSA-N	0	0	363.421	1.923	10	30		FDEERN
N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(C(=O)c4cnccn4)C3)C2)n1	ZINC000096219269	222083940	/nfs/dbraw/zinc/08/39/40/222083940.db2.gz	YEUYQJLZCHTFMR-KBXCAEBGSA-N	0	0	350.382	1.229	10	30		FDEERN
CN1C(C([O-])=Nc2ncc(CO)s2)C(=O)c2ccccc2S1(=O)=O	ZINC000100527635	222246501	/nfs/dbraw/zinc/24/65/01/222246501.db2.gz	LQOZDBVLFUVMQQ-ACCUITESSA-N	0	0	367.408	1.291	10	30		FDEERN
CCc1nnc(N2CCN(C(=O)c3cc(C)no3)CC2)c(C#N)c1CC	ZINC000301622372	259030690	/nfs/dbraw/zinc/03/06/90/259030690.db2.gz	NVDBMQVDOIUAGB-UHFFFAOYSA-N	0	0	354.414	1.732	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC(n4ccnn4)C3)C2)n1	ZINC000329389886	259093090	/nfs/dbraw/zinc/09/30/90/259093090.db2.gz	SBOHSNQSJCSDMB-OAHLLOKOSA-N	0	0	351.414	1.153	10	30		FDEERN
N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)NC3CCCC3)C2=O)cc1	ZINC000329829826	259112653	/nfs/dbraw/zinc/11/26/53/259112653.db2.gz	JNXRHIDPEDAPRX-INIZCTEOSA-N	0	0	362.455	1.420	10	30		FDEERN
CCN(CC)S(=O)(=O)c1ccc(N=NCc2ccc(O)cc2O)nc1	ZINC000006569906	263346022	/nfs/dbraw/zinc/34/60/22/263346022.db2.gz	KZBOZJYUPULZBU-VCHYOVAHSA-N	0	0	364.427	1.969	10	30		FDEERN
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3OC[C@@H](O3)[C@H]3OC(C)(C)O[C@@H]32)cc1	ZINC000038600015	519635112	/nfs/dbraw/zinc/63/51/12/519635112.db2.gz	ZRGAFSDLQODLRO-NIFZNCRKSA-N	0	0	356.396	1.344	10	30	in-vitro	FDEERN
C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2ncccn2)C1	ZINC000066289603	523007047	/nfs/dbraw/zinc/00/70/47/523007047.db2.gz	LKLUYTBZQMJIIW-OAHLLOKOSA-N	0	0	363.421	1.695	10	30		FDEERN
C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)CO[C@H]1O	ZINC000077271584	523281366	/nfs/dbraw/zinc/28/13/66/523281366.db2.gz	ASLUCFFROXVMFL-QGICXFDVSA-N	0	0	350.455	1.963	10	30	in-vitro	FDEERN
Cc1noc([C@@H](C)N2CCN(C(=O)c3ccccc3OCC#N)CC2)n1	ZINC000110895756	524156765	/nfs/dbraw/zinc/15/67/65/524156765.db2.gz	LIGBNBISJFNNQI-CYBMUJFWSA-N	0	0	355.398	1.799	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3C#N)CCO2)c1	ZINC000112065913	524397011	/nfs/dbraw/zinc/39/70/11/524397011.db2.gz	PIEWOCWMZWLKGT-WBVHZDCISA-N	0	0	354.410	1.758	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)NCCOc3ccc(C#N)cc3)CCO2)c1	ZINC000173797042	524458057	/nfs/dbraw/zinc/45/80/57/524458057.db2.gz	XPPSHJRUKOXCLL-SFHVURJKSA-N	0	0	369.425	1.553	10	30		FDEERN
N#Cc1cc(S(=O)(=O)N2CCC(Nc3cccnn3)CC2)ccc1F	ZINC000122225202	524483770	/nfs/dbraw/zinc/48/37/70/524483770.db2.gz	BFZIQKGUDRAAHQ-UHFFFAOYSA-N	0	0	361.402	1.753	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000123160817	524693502	/nfs/dbraw/zinc/69/35/02/524693502.db2.gz	OGXBOOQQHAQAJB-VLIAUNLRSA-N	0	0	374.412	1.930	10	30		FDEERN
C=CCCO[C@H](C)C(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1	ZINC000114147701	524747203	/nfs/dbraw/zinc/74/72/03/524747203.db2.gz	UZYPDZCOHSJVHE-CYBMUJFWSA-N	0	0	358.446	1.302	10	30		FDEERN
C[C@H](CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1CCOCC1	ZINC000114587114	524832853	/nfs/dbraw/zinc/83/28/53/524832853.db2.gz	FBUVBXJQSVSTGC-IEBWSBKVSA-N	0	0	371.485	1.127	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)CC2	ZINC000175131481	524880982	/nfs/dbraw/zinc/88/09/82/524880982.db2.gz	FBGIIJOKHHONID-OAHLLOKOSA-N	0	0	368.441	1.966	10	30		FDEERN
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1	ZINC000124892290	525102598	/nfs/dbraw/zinc/10/25/98/525102598.db2.gz	RVWCYHPGUFSUMM-QGZVFWFLSA-N	0	0	354.410	1.840	10	30		FDEERN
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@H](NC(C)=O)C1	ZINC000125223426	525167827	/nfs/dbraw/zinc/16/78/27/525167827.db2.gz	AUYOLSHACDJZQA-WBVHZDCISA-N	0	0	372.469	1.931	10	30		FDEERN
O=C(CBr)Nc1ccccc1C(=O)ON1C(=O)CCC1=O	ZINC000102218328	525279842	/nfs/dbraw/zinc/27/98/42/525279842.db2.gz	UHZKECQIJMOOKE-UHFFFAOYSA-N	0	0	355.144	1.241	10	30		FDEERN
CCOCCN1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C[C@@H]1C	ZINC000117281579	525300253	/nfs/dbraw/zinc/30/02/53/525300253.db2.gz	KBHBLPRHRQHCHT-AWEZNQCLSA-N	0	0	374.485	1.365	10	30		FDEERN
CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1CC	ZINC000177617530	525322142	/nfs/dbraw/zinc/32/21/42/525322142.db2.gz	HXHXZKDLYSPCQH-QGZVFWFLSA-N	0	0	358.442	1.456	10	30		FDEERN
CCOCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H]1C	ZINC000117521910	525356896	/nfs/dbraw/zinc/35/68/96/525356896.db2.gz	LZSFLCPAGDENCH-ZDUSSCGKSA-N	0	0	362.405	1.205	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3C)CCO2)c1	ZINC000178475949	525435990	/nfs/dbraw/zinc/43/59/90/525435990.db2.gz	LTKCKWAWSBVZQJ-MRXNPFEDSA-N	0	0	367.409	1.238	10	30		FDEERN
C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H]1N1CCOCC1	ZINC000164421223	525505695	/nfs/dbraw/zinc/50/56/95/525505695.db2.gz	CBYFOTSFXUUNEK-MAUKXSAKSA-N	0	0	357.454	1.895	10	30		FDEERN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1	ZINC000106142548	525629601	/nfs/dbraw/zinc/62/96/01/525629601.db2.gz	XTIUXBFUIZVYAN-GOSISDBHSA-N	0	0	361.534	1.968	10	30		FDEERN
C=CCN(CC=C)C(=O)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000106145497	525630637	/nfs/dbraw/zinc/63/06/37/525630637.db2.gz	RHROJLWCWPJTQO-UHFFFAOYSA-N	0	0	359.518	1.956	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)CC2	ZINC000119559603	525785475	/nfs/dbraw/zinc/78/54/75/525785475.db2.gz	ZNVMWYKFKCLJMK-CYBMUJFWSA-N	0	0	370.388	1.482	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)CC2	ZINC000183664122	536024782	/nfs/dbraw/zinc/02/47/82/536024782.db2.gz	UKUFOAYPSSHYPY-LLVKDONJSA-N	0	0	365.846	1.659	10	30		FDEERN
Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cccc(Cl)c2C#N)n1	ZINC000183745389	536041544	/nfs/dbraw/zinc/04/15/44/536041544.db2.gz	BVQRBYCCSDJOPA-LBPRGKRZSA-N	0	0	368.802	1.665	10	30		FDEERN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000247397415	537115780	/nfs/dbraw/zinc/11/57/80/537115780.db2.gz	PEKVTRXWPZBLOA-PBHICJAKSA-N	0	0	361.467	1.168	10	30		FDEERN
C[C@H]1CN2CCC[C@H]2CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000247397429	537116158	/nfs/dbraw/zinc/11/61/58/537116158.db2.gz	PEKVTRXWPZBLOA-YOEHRIQHSA-N	0	0	361.467	1.168	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](c3cnn(CC)c3)C2)c1	ZINC000190512304	537176127	/nfs/dbraw/zinc/17/61/27/537176127.db2.gz	KUQRYUUVWRAGAX-KRWDZBQOSA-N	0	0	352.394	1.423	10	30		FDEERN
CCn1cc(O[C@@H]2CN(Cc3cn4ccccc4c3C#N)C[C@H]2O)cn1	ZINC000599503169	553075358	/nfs/dbraw/zinc/07/53/58/553075358.db2.gz	ZCNNDVVQUSBXMF-RTBURBONSA-N	0	0	351.410	1.651	10	30		FDEERN
COCCN1C(=O)C[C@@H](CNc2cccc(C#N)n2)[C@@H]1c1cnn(C)c1	ZINC000275365950	570709083	/nfs/dbraw/zinc/70/90/83/570709083.db2.gz	WJOQJBWAKUBFOK-SCLBCKFNSA-N	0	0	354.414	1.335	10	30		FDEERN
CCN(Cc1nnc(C)o1)[C@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1O	ZINC000328634366	571325433	/nfs/dbraw/zinc/32/54/33/571325433.db2.gz	MRKCRWMOURZNCZ-DLBZAZTESA-N	0	0	359.405	1.456	10	30		FDEERN
CN(C)c1ccc(N[C@H]2CCCN(C(=O)N[C@H]3CCN(C)C3=O)CC2)cn1	ZINC000328654696	571326187	/nfs/dbraw/zinc/32/61/87/571326187.db2.gz	XRCRYYRRGURFTK-HOCLYGCPSA-N	0	0	374.489	1.559	10	30		FDEERN
C=C(Br)CNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1	ZINC000115668232	671653681	/nfs/dbraw/zinc/65/36/81/671653681.db2.gz	NOOOXLJBYLYDHU-UHFFFAOYSA-N	0	0	370.295	1.773	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)NCCn2cc(C)cn2)ccc1F	ZINC000117813498	671664459	/nfs/dbraw/zinc/66/44/59/671664459.db2.gz	ULJNSZMJJNDFGM-UHFFFAOYSA-N	0	0	366.418	1.225	10	30		FDEERN
C=CCn1nnn(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c1=S	ZINC000152663443	671887913	/nfs/dbraw/zinc/88/79/13/671887913.db2.gz	QWLVQANHTLCKJY-UHFFFAOYSA-N	0	0	362.507	1.121	10	30		FDEERN
C=CCn1nnn(CN2CCN(c3nc4ccccc4o3)CC2)c1=S	ZINC000172497558	672068396	/nfs/dbraw/zinc/06/83/96/672068396.db2.gz	JBRJBPNDTSGFEN-UHFFFAOYSA-N	0	0	357.443	1.916	10	30		FDEERN
CC(=O)OCC(=O)Nc1cc(C#N)cc(NC(=O)COC(C)=O)c1Cl	ZINC000000597057	210249809	/nfs/dbraw/zinc/24/98/09/210249809.db2.gz	VNVBCWREJHKWSG-UHFFFAOYSA-N	0	0	367.745	1.215	10	30	in-man	FDEERN
C=C1C(=O)O[C@@H]2C[C@H](C)[C@]3(O)C[C@@H](O)[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3	ZINC000085724062	210236216	/nfs/dbraw/zinc/23/62/16/210236216.db2.gz	HREHFPZHVCNOMQ-YCIRREICSA-N	0	0	368.426	1.310	10	30	biogenic	FDEERN
Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1C#N	ZINC000188287865	177852602	/nfs/dbraw/zinc/85/26/02/177852602.db2.gz	CEQIKJPVEHFJPD-ZDUSSCGKSA-N	0	0	366.425	1.651	10	30		FDEERN
Cc1nc(CN2CCCN(S(=O)(=O)c3ccccc3C#N)CC2)no1	ZINC000122980708	258261526	/nfs/dbraw/zinc/26/15/26/258261526.db2.gz	HOKNWQWBJOSHOU-UHFFFAOYSA-N	0	0	361.427	1.146	10	30		FDEERN
N#Cc1cccnc1N1CCN(C[C@@H](O)COCc2ccccc2)CC1	ZINC000073125342	172057891	/nfs/dbraw/zinc/05/78/91/172057891.db2.gz	UWAGPTJXODAKCD-LJQANCHMSA-N	0	0	352.438	1.653	10	30		FDEERN
N#Cc1ccc(OC[C@H](O)Cn2cnc3c2ncnc3N2CCCC2)cc1	ZINC000114215489	172620943	/nfs/dbraw/zinc/62/09/43/172620943.db2.gz	XEILZFIPCOFVBD-OAHLLOKOSA-N	0	0	364.409	1.738	10	30		FDEERN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cc(C#N)ccc1F	ZINC000119350242	172748413	/nfs/dbraw/zinc/74/84/13/172748413.db2.gz	FVGCGLXGCCHQOH-AWEZNQCLSA-N	0	0	358.377	1.770	10	30		FDEERN
Cc1nc(C[C@@H]2CCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)no1	ZINC000171485698	173884474	/nfs/dbraw/zinc/88/44/74/173884474.db2.gz	SKSYTALFBLZSCA-HNNXBMFYSA-N	0	0	367.409	1.461	10	30		FDEERN
Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C2)no1	ZINC000176009639	174043785	/nfs/dbraw/zinc/04/37/85/174043785.db2.gz	OGBBMXFMKJWEPW-LBPRGKRZSA-N	0	0	371.372	1.809	10	30		FDEERN
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCn4ncnc43)CC2)c(F)c1	ZINC000177310963	174120643	/nfs/dbraw/zinc/12/06/43/174120643.db2.gz	AKDGOXFQKNFLQX-OAHLLOKOSA-N	0	0	369.404	1.656	10	30		FDEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(c2ccnn2C)CC1	ZINC000178486024	174190714	/nfs/dbraw/zinc/19/07/14/174190714.db2.gz	DXTSOPRUETXKCF-UHFFFAOYSA-N	0	0	351.410	1.945	10	30		FDEERN
Cc1nnc([C@@H]2CN([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CCO2)[nH]1	ZINC000173683273	258307615	/nfs/dbraw/zinc/30/76/15/258307615.db2.gz	BIZQIJSBEHTJEL-YGRLFVJLSA-N	0	0	358.402	1.595	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1	ZINC000178696090	258332485	/nfs/dbraw/zinc/33/24/85/258332485.db2.gz	XSAJDTWLGOAAAG-IBGZPJMESA-N	0	0	371.462	1.598	10	30		FDEERN
COc1cc(CN=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])ccc1O	ZINC000009138507	263359460	/nfs/dbraw/zinc/35/94/60/263359460.db2.gz	SLEBZYDSKXBODE-LZYBPNLTSA-N	0	0	366.355	1.402	10	30		FDEERN
Cc1cc(N2CCN(CCOc3ccccc3C#N)CC2)n2ncnc2n1	ZINC000060467866	522385137	/nfs/dbraw/zinc/38/51/37/522385137.db2.gz	VOVFNCJADFOXQW-UHFFFAOYSA-N	0	0	363.425	1.505	10	30		FDEERN
COc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(CCC#N)CC3)cc2c1	ZINC000065245521	522791698	/nfs/dbraw/zinc/79/16/98/522791698.db2.gz	LMFNANWJJWKBOB-UHFFFAOYSA-N	0	0	368.437	1.527	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)CCO2)c1	ZINC000137183964	524233102	/nfs/dbraw/zinc/23/31/02/524233102.db2.gz	HIWSGXUJPYCRLJ-MRXNPFEDSA-N	0	0	353.378	1.199	10	30		FDEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCO[C@H](Cn2cccn2)C1	ZINC000157468226	524279822	/nfs/dbraw/zinc/27/98/22/524279822.db2.gz	DVSDWDRAGDWMSA-GFCCVEGCSA-N	0	0	366.830	1.498	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cccc(C)c2C#N)C[C@@H]1CC	ZINC000157667249	524316052	/nfs/dbraw/zinc/31/60/52/524316052.db2.gz	KLJNTXQQHVEMCX-INIZCTEOSA-N	0	0	365.499	1.988	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3cccc(C#N)c3)CCO2)n1	ZINC000111815259	524344421	/nfs/dbraw/zinc/34/44/21/524344421.db2.gz	BXIONAJKYXXYFO-GOSISDBHSA-N	0	0	353.426	1.982	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)[C@H](C)Oc3ccccc3C#N)CCO2)c1	ZINC000112065917	524397826	/nfs/dbraw/zinc/39/78/26/524397826.db2.gz	PIEWOCWMZWLKGT-RDJZCZTQSA-N	0	0	354.410	1.758	10	30		FDEERN
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1Cl	ZINC000112291679	524449218	/nfs/dbraw/zinc/44/92/18/524449218.db2.gz	FYMSVBKOXWPONA-ZDUSSCGKSA-N	0	0	358.789	1.605	10	30		FDEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2CO)c1	ZINC000151039381	524518672	/nfs/dbraw/zinc/51/86/72/524518672.db2.gz	KLDOLSFPSLXDKB-GOEBONIOSA-N	0	0	352.456	1.432	10	30		FDEERN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cccc(OCC#N)c1	ZINC000089777072	524527673	/nfs/dbraw/zinc/52/76/73/524527673.db2.gz	ZGYNVEDNKVCCBU-HNNXBMFYSA-N	0	0	355.398	1.521	10	30		FDEERN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1	ZINC000113886057	524724565	/nfs/dbraw/zinc/72/45/65/524724565.db2.gz	RBERIFYWHIUAOL-QGZVFWFLSA-N	0	0	372.450	1.689	10	30		FDEERN
CC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCN1CCOC	ZINC000152028571	524759438	/nfs/dbraw/zinc/75/94/38/524759438.db2.gz	BIKSROLJWQIQBB-HNNXBMFYSA-N	0	0	355.435	1.429	10	30		FDEERN
CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)C#N)c(Br)c1	ZINC000160682436	524946692	/nfs/dbraw/zinc/94/66/92/524946692.db2.gz	IGQDRFJEGWDQGR-MRVPVSSYSA-N	0	0	361.217	1.816	10	30		FDEERN
COCc1cc(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)ncn1	ZINC000093318034	524980827	/nfs/dbraw/zinc/98/08/27/524980827.db2.gz	FZGDATAMEMYQDZ-QGZVFWFLSA-N	0	0	366.425	1.865	10	30		FDEERN
Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccccc2OCC#N)CC1	ZINC000115389785	524982898	/nfs/dbraw/zinc/98/28/98/524982898.db2.gz	SUWCCKALKOWLDS-UHFFFAOYSA-N	0	0	367.453	1.897	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1CC	ZINC000116899300	525248290	/nfs/dbraw/zinc/24/82/90/525248290.db2.gz	VCWBYGAKCRRBKQ-HNNXBMFYSA-N	0	0	369.462	1.819	10	30		FDEERN
N#Cc1ccc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)nc1	ZINC000117312297	525320503	/nfs/dbraw/zinc/32/05/03/525320503.db2.gz	NTKJRRANZDAJJD-QGZVFWFLSA-N	0	0	366.421	1.151	10	30		FDEERN
Cc1cnn(CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c1	ZINC000118133849	525480938	/nfs/dbraw/zinc/48/09/38/525480938.db2.gz	XPIOYRRAWTUODV-UHFFFAOYSA-N	0	0	355.398	1.629	10	30		FDEERN
Cc1cnn(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)c1	ZINC000118133989	525481445	/nfs/dbraw/zinc/48/14/45/525481445.db2.gz	SKMQABKJBNARRC-UHFFFAOYSA-N	0	0	355.398	1.605	10	30		FDEERN
N#C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CCO1	ZINC000106053618	525557419	/nfs/dbraw/zinc/55/74/19/525557419.db2.gz	SAJFECLNYIFAKO-HOTGVXAUSA-N	0	0	369.446	1.840	10	30		FDEERN
CN(C(=O)CN1CCCN(c2cccnn2)CC1)C1(C#N)CCCCC1	ZINC000106071420	525560652	/nfs/dbraw/zinc/56/06/52/525560652.db2.gz	LBSDEMLQDQVRGZ-UHFFFAOYSA-N	0	0	356.474	1.674	10	30		FDEERN
C=CCNC(=O)NC(=O)CN1CCN(c2nc3cc(C)ccc3o2)CC1	ZINC000106095558	525577439	/nfs/dbraw/zinc/57/74/39/525577439.db2.gz	UWZWEUAFGJUAJP-UHFFFAOYSA-N	0	0	357.414	1.270	10	30		FDEERN
C=CCNc1ncc(C(=O)N2CCN([C@@H](C)c3nc(C)no3)CC2)s1	ZINC000128818727	525584776	/nfs/dbraw/zinc/58/47/76/525584776.db2.gz	UZJLORGANPYFDE-NSHDSACASA-N	0	0	362.459	1.951	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)n1	ZINC000106140418	525627460	/nfs/dbraw/zinc/62/74/60/525627460.db2.gz	YAYOPQLNIUKTJI-RDTXWAMCSA-N	0	0	362.478	1.365	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)n1	ZINC000106140413	525627796	/nfs/dbraw/zinc/62/77/96/525627796.db2.gz	YAYOPQLNIUKTJI-KDOFPFPSSA-N	0	0	362.478	1.365	10	30		FDEERN
C[C@H](C(=O)N(C)CCC#N)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000106145098	525629907	/nfs/dbraw/zinc/62/99/07/525629907.db2.gz	CFRXTMJMVCJOLV-MRXNPFEDSA-N	0	0	360.506	1.516	10	30		FDEERN
Cc1cnn(C[C@H]2CN(CCC(=O)Nc3sccc3C#N)CCO2)c1	ZINC000106198555	525667624	/nfs/dbraw/zinc/66/76/24/525667624.db2.gz	PVORCPNCNRGCHO-OAHLLOKOSA-N	0	0	359.455	1.854	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)CC2	ZINC000134090427	526122591	/nfs/dbraw/zinc/12/25/91/526122591.db2.gz	GNEMANITWNFUJA-HNNXBMFYSA-N	0	0	353.426	1.978	10	30		FDEERN
[O-]C(NC[C@H]1CCc2nc(C(F)(F)F)cn2C1)=[NH+]CCn1cccn1	ZINC000328638373	527585373	/nfs/dbraw/zinc/58/53/73/527585373.db2.gz	WHUXMZMCINHNGP-LLVKDONJSA-N	0	0	356.352	1.865	10	30		FDEERN
Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)n1	ZINC000183746853	536041514	/nfs/dbraw/zinc/04/15/14/536041514.db2.gz	PLWZLBMDBVNDHB-CYBMUJFWSA-N	0	0	352.347	1.151	10	30		FDEERN
Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)n1	ZINC000183746836	536041626	/nfs/dbraw/zinc/04/16/26/536041626.db2.gz	PLWZLBMDBVNDHB-ZDUSSCGKSA-N	0	0	352.347	1.151	10	30		FDEERN
Cc1noc([C@H]2COCCN2CCS(=O)(=O)c2cccc(C#N)c2)n1	ZINC000185075972	536197547	/nfs/dbraw/zinc/19/75/47/536197547.db2.gz	IBFFZXJUADRMNM-OAHLLOKOSA-N	0	0	362.411	1.097	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1OC)CC2	ZINC000185644863	536214279	/nfs/dbraw/zinc/21/42/79/536214279.db2.gz	WCAYWTRKPCZMHL-LBPRGKRZSA-N	0	0	361.427	1.014	10	30		FDEERN
C#CCOc1ccccc1NC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1	ZINC000188123432	536283418	/nfs/dbraw/zinc/28/34/18/536283418.db2.gz	AZAJMCTXGUVPJO-HNNXBMFYSA-N	0	0	355.398	1.985	10	30		FDEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000246423087	536950467	/nfs/dbraw/zinc/95/04/67/536950467.db2.gz	KVDWOVPPXCQJNK-ZWKOTPCHSA-N	0	0	354.410	1.678	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1N1CCOCC1	ZINC000246621521	536992023	/nfs/dbraw/zinc/99/20/23/536992023.db2.gz	XULABKOIVXGZNU-BLLLJJGKSA-N	0	0	369.874	1.553	10	30		FDEERN
N#Cc1ccc2ncc(CNC3CC([N@H+](CC(=O)[O-])CC4CC4)C3)n2c1	ZINC000263514443	537042075	/nfs/dbraw/zinc/04/20/75/537042075.db2.gz	OHVUQMODEXKINM-UHFFFAOYSA-N	0	0	353.426	1.623	10	30		FDEERN
CCn1cc([C@@H]2CN(CC(=O)N(C)C3(C#N)CCCCC3)CCO2)cn1	ZINC000190810558	537187225	/nfs/dbraw/zinc/18/72/25/537187225.db2.gz	JKWGJXFLJZBMLV-KRWDZBQOSA-N	0	0	359.474	1.961	10	30		FDEERN
C=CCNC(=O)CNC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1	ZINC000194350612	537270202	/nfs/dbraw/zinc/27/02/02/537270202.db2.gz	NYBPBILZVPAUBC-GFCCVEGCSA-N	0	0	366.487	1.826	10	30		FDEERN
N#Cc1nc(I)n(I)c1C#N	ZINC000584656880	551525363	/nfs/dbraw/zinc/52/53/63/551525363.db2.gz	OVLOTSLANNVIPP-UHFFFAOYSA-N	0	0	369.891	1.429	10	30		FDEERN
Cc1cc(C(=O)N[C@H]2CCC(=O)NC2(C)C)nn1-c1cccc(C#N)c1	ZINC000619799353	555835627	/nfs/dbraw/zinc/83/56/27/555835627.db2.gz	KJYBBAMILOATNT-INIZCTEOSA-N	0	0	351.410	1.839	10	30		FDEERN
Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cccc(F)c2C#N)cn1	ZINC000328635801	571148979	/nfs/dbraw/zinc/14/89/79/571148979.db2.gz	VDPFFCICYORVLB-DZGCQCFKSA-N	0	0	350.375	1.239	10	30		FDEERN
C#CCN1CCN(C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)CC1	ZINC000112920879	671644193	/nfs/dbraw/zinc/64/41/93/671644193.db2.gz	BZRDJSMMRHDWNA-KRWDZBQOSA-N	0	0	361.873	1.872	10	30		FDEERN
C=CCn1c(-c2ccco2)nn(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1=S	ZINC000120254226	671686646	/nfs/dbraw/zinc/68/66/46/671686646.db2.gz	ISLXMWNEBKWODG-DGCLKSJQSA-N	0	0	363.443	1.392	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000262489661	672797908	/nfs/dbraw/zinc/79/79/08/672797908.db2.gz	WIOSQGHAPBKRLE-UHFFFAOYSA-N	0	0	371.846	1.427	10	30		FDEERN
Cc1ccc(O)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1	ZINC000301877334	676540491	/nfs/dbraw/zinc/54/04/91/676540491.db2.gz	YRNJJFIIHHLOAZ-UHFFFAOYSA-N	0	0	358.423	1.478	10	30		FDEERN
N#Cc1c(Br)cccc1NCC[C@@H]1CNCCS1(=O)=O	ZINC000721810792	820554917	/nfs/dbraw/zinc/55/49/17/820554917.db2.gz	BNOUDIVLRFSRFP-SNVBAGLBSA-N	0	0	358.261	1.509	10	30		FDEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc(C#N)cc2C)C1	ZINC000189191168	177913696	/nfs/dbraw/zinc/91/36/96/177913696.db2.gz	SQTBANSWOGZAHH-UONOGXRCSA-N	0	0	362.411	1.709	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3C)CCO2)c1	ZINC000171927467	258269769	/nfs/dbraw/zinc/26/97/69/258269769.db2.gz	DNKULKKVGMHREM-INIZCTEOSA-N	0	0	367.409	1.238	10	30		FDEERN
N#CCN(CC#N)c1ncnc(N2CCN(c3ccccc3F)CC2)c1N	ZINC000040736851	136120568	/nfs/dbraw/zinc/12/05/68/136120568.db2.gz	LFHDVKXCNITUCG-UHFFFAOYSA-N	0	0	366.404	1.378	10	30		FDEERN
Cc1nc(C[C@H]2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)no1	ZINC000128576975	173114014	/nfs/dbraw/zinc/11/40/14/173114014.db2.gz	DYUGKBLBKBQZDT-MRXNPFEDSA-N	0	0	374.466	1.978	10	30		FDEERN
COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCCn2ncnc21	ZINC000177539362	174140020	/nfs/dbraw/zinc/14/00/20/174140020.db2.gz	HBGFPXWDRZVAEF-AWEZNQCLSA-N	0	0	355.398	1.969	10	30		FDEERN
CC(C)c1nnc2n1C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)CC2	ZINC000181610503	174236857	/nfs/dbraw/zinc/23/68/57/174236857.db2.gz	UISTUQLSNSKTNC-OAHLLOKOSA-N	0	0	368.441	1.966	10	30		FDEERN
CCc1nnc([C@H]2CN(S(=O)(=O)Cc3cccc(C#N)c3)CCO2)[nH]1	ZINC000173740010	258309128	/nfs/dbraw/zinc/30/91/28/258309128.db2.gz	YKKKTIXHTIUVQH-CQSZACIVSA-N	0	0	361.427	1.142	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)c3ccc(C#N)cc3C)C2=O)n(C)n1	ZINC000178737576	258334022	/nfs/dbraw/zinc/33/40/22/258334022.db2.gz	KFEFNSIZQBTYQI-INIZCTEOSA-N	0	0	351.410	1.834	10	30		FDEERN
CCC(=O)N1C[C@H](NC(=O)c2cccc(C#N)c2)C[C@H]1C(=O)N(CC)CC	ZINC000096165787	222066068	/nfs/dbraw/zinc/06/60/68/222066068.db2.gz	ZWVCCPLPSPIVFX-SJORKVTESA-N	0	0	370.453	1.536	10	30		FDEERN
Cc1cccc(NC(=O)CN2c3ccccc3/C(=N/NC(N)=S)C2=O)c1	ZINC000103906560	222345665	/nfs/dbraw/zinc/34/56/65/222345665.db2.gz	OTLARKODODNXLM-PGMHBOJBSA-N	0	0	367.434	1.518	10	30		FDEERN
CC(=O)c1ccc(C#N)cc1NCCN1CCN(c2ncccn2)CC1	ZINC000302076848	259038767	/nfs/dbraw/zinc/03/87/67/259038767.db2.gz	AGNHNICBMVITGB-UHFFFAOYSA-N	0	0	350.426	1.785	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN4CCOC[C@H]4C3)C2)n1	ZINC000329458391	259096710	/nfs/dbraw/zinc/09/67/10/259096710.db2.gz	QXZNEYHLTJRBNV-QZTJIDSGSA-N	0	0	369.469	1.021	10	30		FDEERN
N#Cc1cccc([C@@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)CCO2)c1	ZINC000330328127	259139920	/nfs/dbraw/zinc/13/99/20/259139920.db2.gz	LKFLMVWQWQFZLN-WBVHZDCISA-N	0	0	352.394	1.999	10	30		FDEERN
COc1cc(CN=Nc2nncn2N)ccc1OC(=O)c1cccs1	ZINC000005743949	521995882	/nfs/dbraw/zinc/99/58/82/521995882.db2.gz	JQHYAUFQBXCHDE-CAOOACKPSA-N	0	0	358.383	1.727	10	30		FDEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C(=O)N1CCCCC1	ZINC000047289744	522490870	/nfs/dbraw/zinc/49/08/70/522490870.db2.gz	RCHLVICYYINWPD-CQSZACIVSA-N	0	0	358.442	1.313	10	30		FDEERN
Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(CC#N)cc3)C2)cn1	ZINC000076417235	523106235	/nfs/dbraw/zinc/10/62/35/523106235.db2.gz	NIOBIEDBAXYTFF-INIZCTEOSA-N	0	0	366.425	1.210	10	30		FDEERN
Cn1cc(CN2CCCN(C(=O)NCc3ccc(C#N)cc3F)CC2)cn1	ZINC000172150425	524137064	/nfs/dbraw/zinc/13/70/64/524137064.db2.gz	ZBYSTHJXZIDENI-UHFFFAOYSA-N	0	0	370.432	1.848	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cccc(C)c3C#N)CCO2)n1	ZINC000157435165	524273963	/nfs/dbraw/zinc/27/39/63/524273963.db2.gz	FUJSHGMMJUUFOM-INIZCTEOSA-N	0	0	374.466	1.770	10	30		FDEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000083741748	524275291	/nfs/dbraw/zinc/27/52/91/524275291.db2.gz	INLOTLIWCPQTTC-HNNXBMFYSA-N	0	0	366.429	1.220	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(S(=O)(=O)CCCCC#N)CC2)n1	ZINC000112093331	524403747	/nfs/dbraw/zinc/40/37/47/524403747.db2.gz	BOFPRAFOFPSYDH-CYBMUJFWSA-N	0	0	355.464	1.334	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1	ZINC000173688703	524435366	/nfs/dbraw/zinc/43/53/66/524435366.db2.gz	GPSQZBQFEAEKFI-CQSZACIVSA-N	0	0	371.372	1.231	10	30		FDEERN
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCc2ncnn2C1	ZINC000112741833	524559476	/nfs/dbraw/zinc/55/94/76/524559476.db2.gz	JMPCJBMUHKNHCR-CQSZACIVSA-N	0	0	363.343	1.963	10	30		FDEERN
Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3C#N)CCO2)c1	ZINC000152002453	524750846	/nfs/dbraw/zinc/75/08/46/524750846.db2.gz	ABWXYFBJPMVCCK-HNNXBMFYSA-N	0	0	364.402	1.292	10	30		FDEERN
C#CCOc1ccc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)cc1	ZINC000175000288	524830207	/nfs/dbraw/zinc/83/02/07/524830207.db2.gz	NIIIRXJHLJNUOV-QGZVFWFLSA-N	0	0	366.421	1.666	10	30		FDEERN
C[C@H]1CN([C@@H](CNS(=O)(=O)CCCC#N)c2cccs2)CCO1	ZINC000175223556	524909105	/nfs/dbraw/zinc/90/91/05/524909105.db2.gz	AAHIDNJPOPZIFA-KBPBESRZSA-N	0	0	357.501	1.733	10	30		FDEERN
C[C@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)C(=O)N1CCCCC1	ZINC000153056894	525094697	/nfs/dbraw/zinc/09/46/97/525094697.db2.gz	TUFVFUNTZXCUTL-AWEZNQCLSA-N	0	0	356.426	1.732	10	30		FDEERN
Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC[C@H](C)C#N	ZINC000176695463	525166800	/nfs/dbraw/zinc/16/68/00/525166800.db2.gz	RSYISQDTKNQMTA-SNVBAGLBSA-N	0	0	352.350	1.470	10	30		FDEERN
Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)C2)n1	ZINC000125310738	525188878	/nfs/dbraw/zinc/18/88/78/525188878.db2.gz	AKIQFYSKRFBMGQ-CYBMUJFWSA-N	0	0	372.454	1.906	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC2)n1	ZINC000106137151	525627534	/nfs/dbraw/zinc/62/75/34/525627534.db2.gz	SKFREKBKKSUUNJ-LSDHHAIUSA-N	0	0	362.478	1.319	10	30		FDEERN
N#Cc1ccc(Cl)cc1NC(=O)CN1CCO[C@H](Cn2cccn2)C1	ZINC000106191394	525661841	/nfs/dbraw/zinc/66/18/41/525661841.db2.gz	FQSJSOGZPRBTLV-HNNXBMFYSA-N	0	0	359.817	1.748	10	30		FDEERN
C[C@H](C(=O)NCc1ccc(C#N)cc1F)N1C(=O)c2ccccc2C1=O	ZINC000170932721	525776467	/nfs/dbraw/zinc/77/64/67/525776467.db2.gz	CGKRUOVDMCNXOR-LLVKDONJSA-N	0	0	351.337	1.998	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)n1	ZINC000171818285	526135013	/nfs/dbraw/zinc/13/50/13/526135013.db2.gz	ZFILESXGJIUOAJ-AWEZNQCLSA-N	0	0	353.426	1.952	10	30		FDEERN
CCO[C@H]1C[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)C12CCOCC2	ZINC000185151346	536200306	/nfs/dbraw/zinc/20/03/06/536200306.db2.gz	DLBDIWUYPWRWGU-IRXDYDNUSA-N	0	0	364.467	1.952	10	30		FDEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC(NC(=O)C2CCC2)C1	ZINC000188524050	536295419	/nfs/dbraw/zinc/29/54/19/536295419.db2.gz	ZPQZAYIUGHPCNZ-UHFFFAOYSA-N	0	0	357.458	1.473	10	30		FDEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000246496188	536966418	/nfs/dbraw/zinc/96/64/18/536966418.db2.gz	PQTJDZFEKRLEQR-LJQANCHMSA-N	0	0	367.453	1.714	10	30		FDEERN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1	ZINC000263066289	536968879	/nfs/dbraw/zinc/96/88/79/536968879.db2.gz	YWTHBPWOPCPUQK-OAHLLOKOSA-N	0	0	365.455	1.426	10	30		FDEERN
C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CCOCC1	ZINC000246664970	536999350	/nfs/dbraw/zinc/99/93/50/536999350.db2.gz	FBUVBXJQSVSTGC-HKUYNNGSSA-N	0	0	371.485	1.127	10	30		FDEERN
Cc1nnc([C@H]2CN([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CCO2)[nH]1	ZINC000246805659	537031065	/nfs/dbraw/zinc/03/10/65/537031065.db2.gz	BIZQIJSBEHTJEL-IINYFYTJSA-N	0	0	358.402	1.595	10	30		FDEERN
Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CCO2)[nH]1	ZINC000246805677	537031495	/nfs/dbraw/zinc/03/14/95/537031495.db2.gz	BIZQIJSBEHTJEL-QMTHXVAHSA-N	0	0	358.402	1.595	10	30		FDEERN
CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1	ZINC000189452579	537049228	/nfs/dbraw/zinc/04/92/28/537049228.db2.gz	SHLLYUJCRHAKFS-CQSZACIVSA-N	0	0	364.833	1.065	10	30		FDEERN
C=CCc1cc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc(OC)c1OC	ZINC000246930980	537052423	/nfs/dbraw/zinc/05/24/23/537052423.db2.gz	ZIGSJDSHULEVIV-CABCVRRESA-N	0	0	362.470	1.959	10	30		FDEERN
C[C@@H]1CN([C@H](CNC(=O)N2CCO[C@H](C#N)C2)c2cccs2)CCO1	ZINC000248357559	537173520	/nfs/dbraw/zinc/17/35/20/537173520.db2.gz	PQBDXHRGDMIJAA-RBSFLKMASA-N	0	0	364.471	1.444	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1C	ZINC000248482265	537187457	/nfs/dbraw/zinc/18/74/57/537187457.db2.gz	TXPBKCDZCXBWIC-CYBMUJFWSA-N	0	0	371.890	1.943	10	30		FDEERN
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000248640125	537199621	/nfs/dbraw/zinc/19/96/21/537199621.db2.gz	MAYZJRNVIMWVJF-YOEHRIQHSA-N	0	0	350.440	1.883	10	30		FDEERN
C[C@H]1CN([C@H](CNS(=O)(=O)CC2(C#N)CC2)c2cccs2)CCO1	ZINC000248657813	537202365	/nfs/dbraw/zinc/20/23/65/537202365.db2.gz	XOAUEPXEHUINPA-UONOGXRCSA-N	0	0	369.512	1.733	10	30		FDEERN
C=CCO[C@@H]1[C@H](NC(C)=O)[C@H](OC)O[C@H]2CO[C@H](c3ccccc3)O[C@@H]12	ZINC000575417842	550461915	/nfs/dbraw/zinc/46/19/15/550461915.db2.gz	YHGQSPVMUYCILV-DTXAGUPXSA-N	0	0	363.410	1.548	10	30		FDEERN
Cn1ccnc1[C@@H]1[C@@H](CNc2cnc(C#N)cn2)CCC(=O)N1C1CC1	ZINC000596561203	552689089	/nfs/dbraw/zinc/68/90/89/552689089.db2.gz	DULYHLZZJFLCSV-PXAZEXFGSA-N	0	0	351.414	1.636	10	30		FDEERN
CC[C@H](C#N)NS(=O)(=O)c1cc(C(=O)OC)ccc1Br	ZINC000160805783	672005106	/nfs/dbraw/zinc/00/51/06/672005106.db2.gz	BKNFBBDPVMVNIX-SECBINFHSA-N	0	0	361.217	1.816	10	30		FDEERN
C=C(Br)COC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1	ZINC000172099535	672063628	/nfs/dbraw/zinc/06/36/28/672063628.db2.gz	PKPCUQLYTWTWRW-YPMHNXCESA-N	0	0	356.220	1.781	10	30		FDEERN
CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CCN1C[C@H](C)O	ZINC000245776131	672463162	/nfs/dbraw/zinc/46/31/62/672463162.db2.gz	AQYRXWVTUZWKLL-WFASDCNBSA-N	0	0	371.890	1.677	10	30		FDEERN
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000374459659	678082903	/nfs/dbraw/zinc/08/29/03/678082903.db2.gz	CXPIAQHYECXAOW-KBPBESRZSA-N	0	0	366.491	1.478	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)Cc2ccc(C#N)cc2)[C@H](O)C1	ZINC000707546069	886892072	/nfs/dbraw/zinc/89/20/72/886892072.db2.gz	WEEDKFRPMPZCIO-HZPDHXFCSA-N	0	0	359.426	1.445	10	30		FDEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000193095961	178147205	/nfs/dbraw/zinc/14/72/05/178147205.db2.gz	IRYIBRKNCWIFAQ-OAHLLOKOSA-N	0	0	357.458	1.750	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1N1CCOCC1	ZINC000246220591	178410183	/nfs/dbraw/zinc/41/01/83/178410183.db2.gz	UYRJWHOQBLJBBR-IUODEOHRSA-N	0	0	369.874	1.553	10	30		FDEERN
Cc1cc(NC(=O)[C@H](C)N2CCCN(c3ncccc3C#N)CC2)on1	ZINC000066437503	210210199	/nfs/dbraw/zinc/21/01/99/210210199.db2.gz	NBYDTOUNXRGNQC-AWEZNQCLSA-N	0	0	354.414	1.789	10	30		FDEERN
C=CCn1cnc2c1c(=O)n(C[C@H]1CCCO1)c(=O)n2-c1ccc(F)cc1	ZINC000034693097	210169442	/nfs/dbraw/zinc/16/94/42/210169442.db2.gz	UGDFNXOVWXJIQF-OAHLLOKOSA-N	0	0	370.384	1.853	10	30		FDEERN
C=CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000032536124	210168363	/nfs/dbraw/zinc/16/83/63/210168363.db2.gz	CAMUOXJBZBZWPJ-IRXDYDNUSA-N	0	0	369.508	1.280	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCCO2)ccc1F	ZINC000046220208	210059750	/nfs/dbraw/zinc/05/97/50/210059750.db2.gz	DCRPNCGBBPKKLX-BXUZGUMPSA-N	0	0	356.419	1.587	10	30		FDEERN
C=CCn1c(N)c(NC(=O)[C@@H](C)c2ccccc2)c(=O)n(CC=C)c1=O	ZINC000039125266	210042248	/nfs/dbraw/zinc/04/22/48/210042248.db2.gz	KGQTVNCOWNLBJL-ZDUSSCGKSA-N	0	0	354.410	1.706	10	30		FDEERN
C#CCN1C(=O)COc2c(F)c(N3C(=O)C4=C(CCCC4)C3=O)ccc21	ZINC000071250161	533143256	/nfs/dbraw/zinc/14/32/56/533143256.db2.gz	NHXZMUBTKNQPGT-UHFFFAOYSA-N	0	0	354.337	1.928	10	30		FDEERN
CC(=O)N1CCC(c2ccc(C(=O)N=C(N)N)cc2C(F)(F)F)CC1	ZINC000068250805	221314272	/nfs/dbraw/zinc/31/42/72/221314272.db2.gz	QMHRLXNEGYTSRV-UHFFFAOYSA-N	0	0	356.348	1.845	10	30	in-vitro	FDEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccc(C#N)cc1OC	ZINC000088197723	172229011	/nfs/dbraw/zinc/22/90/11/172229011.db2.gz	IAJXJMOAWYETJD-CYBMUJFWSA-N	0	0	355.398	1.751	10	30		FDEERN
Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000128390649	173108684	/nfs/dbraw/zinc/10/86/84/173108684.db2.gz	SNAWNHWVDOTNHD-MRXNPFEDSA-N	0	0	371.466	1.946	10	30		FDEERN
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1	ZINC000177388882	174127469	/nfs/dbraw/zinc/12/74/69/174127469.db2.gz	IRALWAZLIJKTCW-INIZCTEOSA-N	0	0	370.453	1.981	10	30		FDEERN
Cc1nnc([C@H]2CN(C(=O)[C@H](Oc3ccccc3C#N)C(C)C)CCO2)[nH]1	ZINC000173550240	258302898	/nfs/dbraw/zinc/30/28/98/258302898.db2.gz	VKYACECMVGVDKP-IAGOWNOFSA-N	0	0	369.425	1.988	10	30		FDEERN
N#Cc1ccccc1CSCCNC(=O)N1CC[C@H](N2CCOCC2)C1	ZINC000173771322	258310684	/nfs/dbraw/zinc/31/06/84/258310684.db2.gz	XOFSLUXTJRSTCB-SFHVURJKSA-N	0	0	374.510	1.908	10	30		FDEERN
C[NH+]1CCC(Nc2cc(Nc3cnc(C#N)cn3)ncc2C(=O)[O-])CC1	ZINC000098178680	222230756	/nfs/dbraw/zinc/23/07/56/222230756.db2.gz	XREZEMOUSGFLEW-UHFFFAOYSA-N	0	0	353.386	1.691	10	30		FDEERN
N#Cc1cc(Nc2cnn(CC(=O)NCCO)c2)nc2ccc(Cl)cc12	ZINC000301946966	259036144	/nfs/dbraw/zinc/03/61/44/259036144.db2.gz	CRGXSTUKCUBVLX-UHFFFAOYSA-N	0	0	370.800	1.808	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC(n4ccnn4)C3)C2)n1	ZINC000329389885	259093169	/nfs/dbraw/zinc/09/31/69/259093169.db2.gz	SBOHSNQSJCSDMB-HNNXBMFYSA-N	0	0	351.414	1.153	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[S@](=O)C[C@H](C)C3)C2)n1	ZINC000330326864	259139864	/nfs/dbraw/zinc/13/98/64/259139864.db2.gz	KLBHETUKYLAQSI-UVVOCLOQSA-N	0	0	374.510	1.705	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[S@@](=O)C[C@H](C)C3)C2)n1	ZINC000330326861	259140013	/nfs/dbraw/zinc/14/00/13/259140013.db2.gz	KLBHETUKYLAQSI-HLDDKQQMSA-N	0	0	374.510	1.705	10	30		FDEERN
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3OC[C@@H](O3)[C@@H]3OC(C)(C)O[C@@H]32)cc1	ZINC000002548957	518244531	/nfs/dbraw/zinc/24/45/31/518244531.db2.gz	ZRGAFSDLQODLRO-CAEXGNQWSA-N	0	0	356.396	1.344	10	30	in-vitro	FDEERN
COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)N1CCOCC1	ZINC000057612324	522114804	/nfs/dbraw/zinc/11/48/04/522114804.db2.gz	MAIINEILDKRGND-MRXNPFEDSA-N	0	0	360.458	1.437	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1CC	ZINC000157667564	524316905	/nfs/dbraw/zinc/31/69/05/524316905.db2.gz	BSVWNVSCWIBJJQ-INIZCTEOSA-N	0	0	369.462	1.819	10	30		FDEERN
CN(C(=O)Nc1ccn(CCC#N)n1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000173364153	524373356	/nfs/dbraw/zinc/37/33/56/524373356.db2.gz	VFWDEOKLBSZYCR-CQSZACIVSA-N	0	0	354.418	1.719	10	30		FDEERN
CCn1cc(CN2CCCN(S(=O)(=O)CCCCC#N)CC2)cn1	ZINC000112707434	524545643	/nfs/dbraw/zinc/54/56/43/524545643.db2.gz	IXGFAUQDOAFNMZ-UHFFFAOYSA-N	0	0	353.492	1.434	10	30		FDEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](n2cncn2)C1	ZINC000123508875	524768224	/nfs/dbraw/zinc/76/82/24/524768224.db2.gz	SRGPKRXBEVWPSI-ZDUSSCGKSA-N	0	0	351.819	1.829	10	30		FDEERN
N#Cc1ccc(OCCNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1	ZINC000175977502	525038270	/nfs/dbraw/zinc/03/82/70/525038270.db2.gz	LZWPIXCIHJVMOZ-QGZVFWFLSA-N	0	0	355.398	1.244	10	30		FDEERN
Cn1cc(C#N)cc1C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1	ZINC000176098422	525052564	/nfs/dbraw/zinc/05/25/64/525052564.db2.gz	TVAJMCHEQNDGBF-KRWDZBQOSA-N	0	0	368.437	1.094	10	30		FDEERN
Cn1ncc2c1ncn(CC(=O)Nc1cc(C#N)ccc1OC(F)F)c2=O	ZINC000102745801	525303819	/nfs/dbraw/zinc/30/38/19/525303819.db2.gz	NBGJKLAOQQUNOT-UHFFFAOYSA-N	0	0	374.307	1.242	10	30		FDEERN
Cc1nc(CN2CCCN(S(=O)(=O)CC3(C#N)CC3)CC2)cs1	ZINC000165332178	525547877	/nfs/dbraw/zinc/54/78/77/525547877.db2.gz	SFOXCQRCVCXFPU-UHFFFAOYSA-N	0	0	354.501	1.593	10	30		FDEERN
C=CCNc1ncc(C(=O)N2CCN(c3nccc(OCC)n3)CC2)s1	ZINC000128707565	525572312	/nfs/dbraw/zinc/57/23/12/525572312.db2.gz	BXEPIAZTRIXAQN-UHFFFAOYSA-N	0	0	374.470	1.892	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)n1	ZINC000106140427	525628291	/nfs/dbraw/zinc/62/82/91/525628291.db2.gz	CFMADAGRJYKHFF-UGSOOPFHSA-N	0	0	360.462	1.119	10	30		FDEERN
CCOc1cc(C)nc(N2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)n1	ZINC000106153870	525636214	/nfs/dbraw/zinc/63/62/14/525636214.db2.gz	GEBDXXQXYYUBOB-HNNXBMFYSA-N	0	0	360.462	1.066	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(CCC(=O)Nc3ccccc3C#N)CCO2)c1	ZINC000106196137	525665081	/nfs/dbraw/zinc/66/50/81/525665081.db2.gz	PPAQSJBMQIOSIQ-KRWDZBQOSA-N	0	0	353.426	1.793	10	30		FDEERN
CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000106396871	525713408	/nfs/dbraw/zinc/71/34/08/525713408.db2.gz	UGMTYVBGFYCEBZ-AWEZNQCLSA-N	0	0	364.833	1.065	10	30		FDEERN
C#CCCCCNC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1	ZINC000155044581	525723242	/nfs/dbraw/zinc/72/32/42/525723242.db2.gz	OTDWSBRXEONMAC-GOSISDBHSA-N	0	0	359.470	1.557	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000170935753	525779802	/nfs/dbraw/zinc/77/98/02/525779802.db2.gz	GBJVNYRFQZMARC-ICSRJNTNSA-N	0	0	357.498	1.927	10	30		FDEERN
CCCn1cc(CN2CCCN(C(=O)c3ccc(C#N)cn3)CC2)cn1	ZINC000107596464	525898687	/nfs/dbraw/zinc/89/86/87/525898687.db2.gz	SAJWDPKPJBLXCS-UHFFFAOYSA-N	0	0	352.442	1.908	10	30		FDEERN
C=CCCS(=O)(=O)N1CCN(Cc2c(Cl)n(C)nc2CC)CC1	ZINC000120680293	526148645	/nfs/dbraw/zinc/14/86/45/526148645.db2.gz	VCEQSHMVHMGRPD-UHFFFAOYSA-N	0	0	360.911	1.659	10	30		FDEERN
CC[C@H](CC#N)NC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C	ZINC000183889128	536063107	/nfs/dbraw/zinc/06/31/07/536063107.db2.gz	PSIKKMPNJORCHX-DOMZBBRYSA-N	0	0	362.455	1.558	10	30		FDEERN
CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C12CCOCC2	ZINC000185150309	536200375	/nfs/dbraw/zinc/20/03/75/536200375.db2.gz	WZWAZFNKBKTZKN-JKSUJKDBSA-N	0	0	368.430	1.950	10	30		FDEERN
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(NC(=O)COC)C1	ZINC000185233354	536203206	/nfs/dbraw/zinc/20/32/06/536203206.db2.gz	HTHCXYHYOTWEHW-UHFFFAOYSA-N	0	0	372.343	1.857	10	30		FDEERN
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000185859267	536219528	/nfs/dbraw/zinc/21/95/28/536219528.db2.gz	MAYZJRNVIMWVJF-PBHICJAKSA-N	0	0	350.440	1.883	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1	ZINC000187943696	536278618	/nfs/dbraw/zinc/27/86/18/536278618.db2.gz	AXUBYDYOLMDGOI-MRXNPFEDSA-N	0	0	352.394	1.734	10	30		FDEERN
N#Cc1cnn(-c2ccc(C(=O)N3CC(NC(=O)C4CCC4)C3)cc2)c1N	ZINC000188472395	536293936	/nfs/dbraw/zinc/29/39/36/536293936.db2.gz	YCEVCVOBEZVSEC-UHFFFAOYSA-N	0	0	364.409	1.067	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)cc1	ZINC000263471470	537035904	/nfs/dbraw/zinc/03/59/04/537035904.db2.gz	HXYVUJATGHRLMC-UHFFFAOYSA-N	0	0	363.439	1.164	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000263477004	537036862	/nfs/dbraw/zinc/03/68/62/537036862.db2.gz	JQMQCOUPIMUMDI-UHFFFAOYSA-N	0	0	371.846	1.427	10	30		FDEERN
C#CCNC(=O)c1ccc(N2CCN(Cc3ccc(Cl)cn3)CC2)nc1	ZINC000302177084	537596055	/nfs/dbraw/zinc/59/60/55/537596055.db2.gz	RATVOZQGYDZTGL-UHFFFAOYSA-N	0	0	369.856	1.815	10	30		FDEERN
C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1S(=O)(=O)c1ccccc1C#N	ZINC000583616318	551377000	/nfs/dbraw/zinc/37/70/00/551377000.db2.gz	SHNSWIKTCQYEKG-UXLLHSPISA-N	0	0	350.440	1.499	10	30		FDEERN
C#CCOCCC(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1	ZINC000131854960	671807664	/nfs/dbraw/zinc/80/76/64/671807664.db2.gz	DJDUNJDGMXCVIZ-UHFFFAOYSA-N	0	0	352.866	1.320	10	30		FDEERN
O=C(CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)NC[C@H]1Cc2ccccc2O1	ZINC000329160084	676622977	/nfs/dbraw/zinc/62/29/77/676622977.db2.gz	FBOUHWHVRMIDGF-SQWLQELKSA-N	0	0	350.440	1.066	10	30		FDEERN
N#Cc1cc(Br)ccc1NCC[C@@H]1CNCCS1(=O)=O	ZINC000721814587	820655448	/nfs/dbraw/zinc/65/54/48/820655448.db2.gz	PHYHEUHYWKVENQ-GFCCVEGCSA-N	0	0	358.261	1.509	10	30		FDEERN
CCn1cc([C@@H]2CN(C(=O)CNC(=O)c3ccc(C#N)cc3)CCO2)cn1	ZINC000191792869	178070405	/nfs/dbraw/zinc/07/04/05/178070405.db2.gz	BJUNWUGWCYQBFD-KRWDZBQOSA-N	0	0	367.409	1.105	10	30		FDEERN
CCOC(=O)c1cc([C@@](O)(C(=O)OC)C(F)(F)F)c(/N=C/N(C)C)o1	ZINC000018085272	211189547	/nfs/dbraw/zinc/18/95/47/211189547.db2.gz	REDYANPFIXYPAJ-BPGOPIFBSA-N	0	0	366.292	1.601	10	30		FDEERN
CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2nnc(C)c(C)c2C#N)C1	ZINC000548661545	542734392	/nfs/dbraw/zinc/73/43/92/542734392.db2.gz	IXGFKKHBJWHGLL-KRWDZBQOSA-N	0	0	356.455	1.972	10	30		FDEERN
COC[C@@H](C)C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC000103430589	172365008	/nfs/dbraw/zinc/36/50/08/172365008.db2.gz	VDPDPKFYIUWHBN-CQSZACIVSA-N	0	0	355.442	1.966	10	30		FDEERN
Cc1nn(C)c(C)c1CN1CCN(C(=O)COc2ccccc2C#N)CC1	ZINC000115387786	172647864	/nfs/dbraw/zinc/64/78/64/172647864.db2.gz	YJASYSYTIXRDRX-UHFFFAOYSA-N	0	0	367.453	1.632	10	30		FDEERN
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](Cn2cncn2)C1	ZINC000127163460	173066446	/nfs/dbraw/zinc/06/64/46/173066446.db2.gz	QSBBEMAGJVIYNV-OAHLLOKOSA-N	0	0	355.398	1.476	10	30		FDEERN
N#Cc1ccc([C@@H](O)CN2CCN(C[C@@H](O)c3ccccc3)CC2)cc1	ZINC000127427686	173075221	/nfs/dbraw/zinc/07/52/21/173075221.db2.gz	IKCZFLVRZHBKJO-RTWAWAEBSA-N	0	0	351.450	1.943	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000127443571	173076446	/nfs/dbraw/zinc/07/64/46/173076446.db2.gz	WBJSIEKTRWDMDE-YOEHRIQHSA-N	0	0	355.442	1.916	10	30		FDEERN
CCOc1ccnc(N2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000127457630	173077660	/nfs/dbraw/zinc/07/76/60/173077660.db2.gz	WURYUGMELWQFKS-KRWDZBQOSA-N	0	0	353.426	1.603	10	30		FDEERN
N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000171866232	173904155	/nfs/dbraw/zinc/90/41/55/173904155.db2.gz	NLCFZMNHIOIJEH-OAHLLOKOSA-N	0	0	356.455	1.697	10	30		FDEERN
Cc1c(C)n(Cc2ccco2)c(NC(=O)CSC[C@@H](O)CO)c1C#N	ZINC000177418094	174130158	/nfs/dbraw/zinc/13/01/58/174130158.db2.gz	KINNAXOAZLQZOB-ZDUSSCGKSA-N	0	0	363.439	1.643	10	30		FDEERN
N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)ccc1Cl	ZINC000173696350	258307945	/nfs/dbraw/zinc/30/79/45/258307945.db2.gz	SUMFUVWNVBOJPA-CYBMUJFWSA-N	0	0	358.789	1.605	10	30		FDEERN
COCCN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1C	ZINC000184623837	258382974	/nfs/dbraw/zinc/38/29/74/258382974.db2.gz	QPXLJMZHNRGNES-CQSZACIVSA-N	0	0	369.429	1.323	10	30		FDEERN
Cc1cc(NCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C#N)c(C)n1	ZINC000301784760	259033388	/nfs/dbraw/zinc/03/33/88/259033388.db2.gz	OMAQABPZZTXVGV-BETUJISGSA-N	0	0	352.460	1.421	10	30		FDEERN
Cc1ccc(N2CCN(C[C@H](O)COc3ccccc3)CC2)nc1C#N	ZINC000302590827	259044152	/nfs/dbraw/zinc/04/41/52/259044152.db2.gz	ADXRARZRGUJIDR-KRWDZBQOSA-N	0	0	352.438	1.824	10	30		FDEERN
Cc1noc(C2CN(C(=O)[C@@H]3CCCN(c4nc(C)ccc4C#N)C3)C2)n1	ZINC000333102302	259309819	/nfs/dbraw/zinc/30/98/19/259309819.db2.gz	CYUWVEACGFVGEW-OAHLLOKOSA-N	0	0	366.425	1.796	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1F	ZINC000045263860	522061301	/nfs/dbraw/zinc/06/13/01/522061301.db2.gz	HIJIIEJRGNAQHM-VXGBXAGGSA-N	0	0	356.419	1.539	10	30		FDEERN
COCCN1C2=C(C(=O)c3ccccc3C2=O)N(Cc2cnccn2)[C@H]1C	ZINC000052509381	523189610	/nfs/dbraw/zinc/18/96/10/523189610.db2.gz	CJZJWYDXFXAJPQ-ZDUSSCGKSA-N	0	0	364.405	1.877	10	30		FDEERN
CC(=O)N[C@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000068322552	523758562	/nfs/dbraw/zinc/75/85/62/523758562.db2.gz	XHKZWVDLDHSJRA-INIZCTEOSA-N	0	0	366.425	1.283	10	30		FDEERN
CCCC(=O)N[C@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000156707306	524133333	/nfs/dbraw/zinc/13/33/33/524133333.db2.gz	KIGDEZRGQUJAAH-INIZCTEOSA-N	0	0	363.483	1.713	10	30		FDEERN
C=CCSCCNC(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1	ZINC000112136174	524413567	/nfs/dbraw/zinc/41/35/67/524413567.db2.gz	SQQGCWYRCNNZDE-CYBMUJFWSA-N	0	0	353.492	1.939	10	30		FDEERN
N#Cc1ccccc1S(=O)(=O)NC[C@H](O)CN1CCc2ccccc2C1	ZINC000158860636	524539831	/nfs/dbraw/zinc/53/98/31/524539831.db2.gz	GJYLRIIWTMORAK-SFHVURJKSA-N	0	0	371.462	1.256	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)CC2	ZINC000159387263	524657790	/nfs/dbraw/zinc/65/77/90/524657790.db2.gz	SWTWPWCPIBALEF-GFCCVEGCSA-N	0	0	363.418	1.706	10	30		FDEERN
Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CCO2)[nH]1	ZINC000123110285	524682612	/nfs/dbraw/zinc/68/26/12/524682612.db2.gz	XNORUCMXWRIJKS-LBPRGKRZSA-N	0	0	367.818	1.400	10	30		FDEERN
Cc1nnc([C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CCO2)[nH]1	ZINC000123110935	524683663	/nfs/dbraw/zinc/68/36/63/524683663.db2.gz	PUMUWPRXAXPOPU-GFCCVEGCSA-N	0	0	367.818	1.400	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3cccc(C)c3C#N)CCO2)c1	ZINC000174864149	524766601	/nfs/dbraw/zinc/76/66/01/524766601.db2.gz	QKRXFQHPYZUFAN-OAHLLOKOSA-N	0	0	367.409	1.238	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)COc3ccccc3C#N)C2=O)n(C)n1	ZINC000175020446	524838890	/nfs/dbraw/zinc/83/88/90/524838890.db2.gz	XZYDDYNQPHVWSJ-OAHLLOKOSA-N	0	0	367.409	1.291	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NC(=O)COc1ccc(C#N)cc1OC)CC2	ZINC000114865990	524898283	/nfs/dbraw/zinc/89/82/83/524898283.db2.gz	YPBIEQRWCVKDKJ-ZDUSSCGKSA-N	0	0	355.398	1.231	10	30		FDEERN
CCC[C@H](C(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)N(C)C	ZINC000093901763	525006166	/nfs/dbraw/zinc/00/61/66/525006166.db2.gz	OXYRBFBKJJIDOA-OAHLLOKOSA-N	0	0	366.487	1.826	10	30		FDEERN
Cc1nn(C)c(C)c1CN1CCN(C(=O)NCc2cccc(C#N)c2)CC1	ZINC000115661032	525039585	/nfs/dbraw/zinc/03/95/85/525039585.db2.gz	TVNADYAUCHHQFM-UHFFFAOYSA-N	0	0	366.469	1.936	10	30		FDEERN
C=CCSCCNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O	ZINC000176242351	525069518	/nfs/dbraw/zinc/06/95/18/525069518.db2.gz	DQJANJBBXOGZOG-CYBMUJFWSA-N	0	0	351.476	1.442	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1CC	ZINC000116898900	525247160	/nfs/dbraw/zinc/24/71/60/525247160.db2.gz	FSBXNHCQVMAYLK-OAHLLOKOSA-N	0	0	352.460	1.075	10	30		FDEERN
C[C@@H]1CN(CC(=O)Nc2ccccc2SCC#N)C[C@@H]1N1CCOCC1	ZINC000177216917	525257054	/nfs/dbraw/zinc/25/70/54/525257054.db2.gz	RLFTYPSVKGMSIQ-WBVHZDCISA-N	0	0	374.510	1.893	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cc(C#N)ccc2C)C[C@@H]1C	ZINC000117368541	525327222	/nfs/dbraw/zinc/32/72/22/525327222.db2.gz	GQKQQWKFBYUSKA-HNNXBMFYSA-N	0	0	351.472	1.598	10	30		FDEERN
CC[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCN1C[C@@H](C)O	ZINC000128618497	525561992	/nfs/dbraw/zinc/56/19/92/525561992.db2.gz	IBYSAVGNCFTGEK-WBVHZDCISA-N	0	0	365.499	1.109	10	30		FDEERN
N#Cc1cccc(NC(=O)CN2CCN(C[C@H](O)c3ccccc3)CC2)c1	ZINC000106097324	525576321	/nfs/dbraw/zinc/57/63/21/525576321.db2.gz	BVEUXKHMPQRSFQ-FQEVSTJZSA-N	0	0	364.449	1.848	10	30		FDEERN
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000181809124	525939846	/nfs/dbraw/zinc/93/98/46/525939846.db2.gz	OTAPRZYADAGYRT-KBPBESRZSA-N	0	0	367.409	1.666	10	30		FDEERN
CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2C#N)C12CCOCC2	ZINC000185148282	536200365	/nfs/dbraw/zinc/20/03/65/536200365.db2.gz	RTOOQMHJPIXKQK-CVEARBPZSA-N	0	0	350.440	1.811	10	30		FDEERN
C=CC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1	ZINC000185753486	536216644	/nfs/dbraw/zinc/21/66/44/536216644.db2.gz	DBOABZZQMCRBOM-DOTOQJQBSA-N	0	0	368.499	1.741	10	30		FDEERN
C=C(C)[C@@H](NC(=O)N1CC(NC(=O)COC)C1)c1ccc(F)c(F)c1	ZINC000185851300	536219148	/nfs/dbraw/zinc/21/91/48/536219148.db2.gz	INVOJPZKTHPXQD-MRXNPFEDSA-N	0	0	353.369	1.738	10	30		FDEERN
O=C(NC1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1)C1CC1	ZINC000190114033	537142627	/nfs/dbraw/zinc/14/26/27/537142627.db2.gz	NSDRMMFCLRPRTL-UHFFFAOYSA-N	0	0	365.355	1.977	10	30		FDEERN
CCOCCN1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1C	ZINC000247780562	537150399	/nfs/dbraw/zinc/15/03/99/537150399.db2.gz	RWAUHLVZQVXEPL-SJORKVTESA-N	0	0	350.507	1.760	10	30		FDEERN
CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1cc(Br)c(C#N)cc1F	ZINC000596432894	552678776	/nfs/dbraw/zinc/67/87/76/552678776.db2.gz	GPVKXVOFVVNDBG-RYUDHWBXSA-N	0	0	363.208	1.684	10	30		FDEERN
Cn1ccnc(N2CCC[C@H](NC(=O)NC[C@@H]3CCCS3)C2)c1=O	ZINC000328626133	571324763	/nfs/dbraw/zinc/32/47/63/571324763.db2.gz	DVMHYTQNJDHTPR-STQMWFEESA-N	0	0	351.476	1.148	10	30		FDEERN
C=C(Br)CNC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000152546936	671884946	/nfs/dbraw/zinc/88/49/46/671884946.db2.gz	UUMMYNGZSYYBQQ-LBPRGKRZSA-N	0	0	354.252	1.995	10	30		FDEERN
C=C(Br)CNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000195247568	672401164	/nfs/dbraw/zinc/40/11/64/672401164.db2.gz	AUYJQPFPTAFQOH-NEPJUHHUSA-N	0	0	374.191	1.197	10	30		FDEERN
C=C(Br)CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000195247551	672401217	/nfs/dbraw/zinc/40/12/17/672401217.db2.gz	AUYJQPFPTAFQOH-VXGBXAGGSA-N	0	0	374.191	1.197	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CCO1	ZINC000262179788	672741778	/nfs/dbraw/zinc/74/17/78/672741778.db2.gz	WNSGVDROVOTANQ-LBPRGKRZSA-N	0	0	357.332	1.799	10	30		FDEERN
Cn1cc([C@H]2CN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)CCO2)cn1	ZINC000330085195	676671991	/nfs/dbraw/zinc/67/19/91/676671991.db2.gz	CRAAMJBXYBWITK-SECBINFHSA-N	0	0	359.312	1.045	10	30		FDEERN
N#Cc1cc(Br)ccc1NCC[C@H]1CNCCS1(=O)=O	ZINC000721814588	820655108	/nfs/dbraw/zinc/65/51/08/820655108.db2.gz	PHYHEUHYWKVENQ-LBPRGKRZSA-N	0	0	358.261	1.509	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)Nc2ccc(C#N)cc2)C1	ZINC000705671504	886116277	/nfs/dbraw/zinc/11/62/77/886116277.db2.gz	FVKOJSNILSMBQI-ZFWWWQNUSA-N	0	0	360.414	1.908	10	30		FDEERN
CCn1cc([C@H]2CN(CCS(=O)(=O)c3ccc(C#N)cc3)CCO2)cn1	ZINC000190735811	178019409	/nfs/dbraw/zinc/01/94/09/178019409.db2.gz	WWMOUUWBOFONTN-GOSISDBHSA-N	0	0	374.466	1.622	10	30		FDEERN
Cc1csc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)nc3)CCO2)n1	ZINC000193948133	178190596	/nfs/dbraw/zinc/19/05/96/178190596.db2.gz	PDRCRTMARPQWSY-ZDUSSCGKSA-N	0	0	350.425	1.480	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1N1CCOCC1	ZINC000246517412	178430773	/nfs/dbraw/zinc/43/07/73/178430773.db2.gz	OFAHVQJINNTRIG-MLGOLLRUSA-N	0	0	353.419	1.039	10	30		FDEERN
CN(C)C(=O)[C@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000032098679	210183323	/nfs/dbraw/zinc/18/33/23/210183323.db2.gz	VGLBNJWGUYQZHD-QWHCGFSZSA-N	0	0	353.400	1.692	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3C)CCO2)c1	ZINC000171927470	258269757	/nfs/dbraw/zinc/26/97/57/258269757.db2.gz	DNKULKKVGMHREM-MRXNPFEDSA-N	0	0	367.409	1.238	10	30		FDEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(C#N)ccc1C	ZINC000088816902	172237826	/nfs/dbraw/zinc/23/78/26/172237826.db2.gz	OVORIBJRCJYNAT-CYBMUJFWSA-N	0	0	352.398	1.610	10	30		FDEERN
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)n1	ZINC000091249359	172282135	/nfs/dbraw/zinc/28/21/35/172282135.db2.gz	GJVPGLSZPHVJLT-LIRRHRJNSA-N	0	0	373.457	1.602	10	30		FDEERN
N#Cc1cccnc1N1CCCN(C(=O)Cc2cn3ccccc3n2)CC1	ZINC000097680435	172329454	/nfs/dbraw/zinc/32/94/54/172329454.db2.gz	ICAFQJPVXJXEDR-UHFFFAOYSA-N	0	0	360.421	1.882	10	30		FDEERN
N#Cc1ccc(C(=O)NCC(=O)N2CCC(Nc3cccnn3)CC2)cc1	ZINC000109636748	172504625	/nfs/dbraw/zinc/50/46/25/172504625.db2.gz	NFNHBYVMNAEEFS-UHFFFAOYSA-N	0	0	364.409	1.181	10	30		FDEERN
CN(c1cccnn1)C1CCN(C(=O)COc2ccccc2C#N)CC1	ZINC000109643444	172505693	/nfs/dbraw/zinc/50/56/93/172505693.db2.gz	CIAVQOVBYCARGW-UHFFFAOYSA-N	0	0	351.410	1.854	10	30		FDEERN
N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)c(F)c1	ZINC000125775053	173018388	/nfs/dbraw/zinc/01/83/88/173018388.db2.gz	HJBKZTIAKSJRBC-NSHDSACASA-N	0	0	353.354	1.454	10	30		FDEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000125996943	173025843	/nfs/dbraw/zinc/02/58/43/173025843.db2.gz	OBSFLCYIEXNPRB-AWEZNQCLSA-N	0	0	352.398	1.093	10	30		FDEERN
COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(C)c1C#N	ZINC000126599413	173047047	/nfs/dbraw/zinc/04/70/47/173047047.db2.gz	CTEVYLQVMLLPFF-CYBMUJFWSA-N	0	0	361.427	1.418	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H](Cn3cncn3)C2)c1	ZINC000128663467	173116467	/nfs/dbraw/zinc/11/64/67/173116467.db2.gz	SVBGERNQUHQGDY-MRXNPFEDSA-N	0	0	359.455	1.336	10	30		FDEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000175870453	174033788	/nfs/dbraw/zinc/03/37/88/174033788.db2.gz	GESYRJNWDQVTBR-HNNXBMFYSA-N	0	0	366.429	1.220	10	30		FDEERN
Cc1sc(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C#N)c1C	ZINC000177228955	174116312	/nfs/dbraw/zinc/11/63/12/174116312.db2.gz	FGERZBWNLKWRPH-MLGOLLRUSA-N	0	0	362.499	1.828	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)CC2	ZINC000177642779	174147089	/nfs/dbraw/zinc/14/70/89/174147089.db2.gz	HVNVKPKVTSFVOZ-LBPRGKRZSA-N	0	0	372.816	1.435	10	30		FDEERN
N#Cc1ccc(-c2nnc(CN3CCO[C@H](Cn4cccn4)C3)o2)cc1	ZINC000173694298	258307730	/nfs/dbraw/zinc/30/77/30/258307730.db2.gz	SDBGKCSMXORNEH-INIZCTEOSA-N	0	0	350.382	1.706	10	30		FDEERN
N#CC1(c2ccccc2)CCN(C(=O)C2CCN(CC(N)=O)CC2)CC1	ZINC000097713578	222207555	/nfs/dbraw/zinc/20/75/55/222207555.db2.gz	BBSKQLVPQJBWBS-UHFFFAOYSA-N	0	0	354.454	1.268	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)CCNc2c(C#N)cnc3ccccc32)C[C@H](C)O1	ZINC000301373105	259026863	/nfs/dbraw/zinc/02/68/63/259026863.db2.gz	WEQYHCYQFBMJPQ-OKILXGFUSA-N	0	0	374.466	1.957	10	30		FDEERN
Cc1cc(N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(C#N)c(C)n1	ZINC000302628147	259043850	/nfs/dbraw/zinc/04/38/50/259043850.db2.gz	FVYQYAOGTKXPRQ-UHFFFAOYSA-N	0	0	371.466	1.544	10	30		FDEERN
C[C@H](CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1CCCCC1=O	ZINC000328680300	259053383	/nfs/dbraw/zinc/05/33/83/259053383.db2.gz	BYCGPCJUTGHQRT-QGZVFWFLSA-N	0	0	368.481	1.994	10	30		FDEERN
CC#CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C(=O)NO)cc1	ZINC000003820776	518279841	/nfs/dbraw/zinc/27/98/41/518279841.db2.gz	VUPQAWNWRCXTLV-HZPDHXFCSA-N	0	0	366.439	1.431	10	30		FDEERN
C[C@]12C[C@H](O)[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000004428540	518298777	/nfs/dbraw/zinc/29/87/77/518298777.db2.gz	WFFSJFFZKKRVOE-VWUMJDOOSA-N	0	0	358.434	1.334	10	30	in-vitro	FDEERN
N#Cc1cccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1	ZINC000061971590	522504717	/nfs/dbraw/zinc/50/47/17/522504717.db2.gz	ZFYNUXLSPAGCEX-UHFFFAOYSA-N	0	0	368.437	1.134	10	30		FDEERN
N#CCCN(CCC#N)C(=O)CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000121250144	524200350	/nfs/dbraw/zinc/20/03/50/524200350.db2.gz	HEAPFLQSFZFSMV-YOEHRIQHSA-N	0	0	362.380	1.728	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)n1	ZINC000137078028	524227942	/nfs/dbraw/zinc/22/79/42/524227942.db2.gz	QLJSUVZULPEIIL-CYBMUJFWSA-N	0	0	368.393	1.364	10	30		FDEERN
Cc1nc(CN2CCCN(S(=O)(=O)c3cccc(C#N)c3)CC2)no1	ZINC000173825262	524465178	/nfs/dbraw/zinc/46/51/78/524465178.db2.gz	NELNDXRNAYMRGA-UHFFFAOYSA-N	0	0	361.427	1.146	10	30		FDEERN
C=C(Br)CN1CCN(c2nc(C)nc3c2cnn3C)CC1	ZINC000114803487	524879279	/nfs/dbraw/zinc/87/92/79/524879279.db2.gz	QKHYALUYIBBXBJ-UHFFFAOYSA-N	0	0	351.252	1.702	10	30		FDEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCn3ncnc32)c1	ZINC000175717187	524995710	/nfs/dbraw/zinc/99/57/10/524995710.db2.gz	NQNRLTRNCLQEMW-AWEZNQCLSA-N	0	0	361.427	1.007	10	30		FDEERN
COCCN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000117285532	525302807	/nfs/dbraw/zinc/30/28/07/525302807.db2.gz	QEHSATOXCLLVDS-GFCCVEGCSA-N	0	0	364.833	1.329	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)Cc3cccc(OCC#N)c3)CCO2)c1	ZINC000127359975	525412371	/nfs/dbraw/zinc/41/23/71/525412371.db2.gz	GUQQYEFAHULJDT-SFHVURJKSA-N	0	0	354.410	1.564	10	30		FDEERN
CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C[C@@H]1C	ZINC000178482378	525435190	/nfs/dbraw/zinc/43/51/90/525435190.db2.gz	RMCUAXDEERGXAV-AWEZNQCLSA-N	0	0	358.442	1.374	10	30		FDEERN
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCN(c2cccnn2)C1	ZINC000118672614	525519349	/nfs/dbraw/zinc/51/93/49/525519349.db2.gz	JQTKVCQJVIJCIY-ZBFHGGJFSA-N	0	0	351.410	1.901	10	30		FDEERN
CCc1nnc([C@H]2CN(C(=O)Cc3cccc(OCC#N)c3)CCO2)[nH]1	ZINC000128717850	525573019	/nfs/dbraw/zinc/57/30/19/525573019.db2.gz	POLSEUGZKPOPHT-OAHLLOKOSA-N	0	0	355.398	1.412	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)n1	ZINC000106140429	525628051	/nfs/dbraw/zinc/62/80/51/525628051.db2.gz	CFMADAGRJYKHFF-FZKQIMNGSA-N	0	0	360.462	1.119	10	30		FDEERN
CCN(CCC#N)C(=O)CN(C)C[C@H](c1cccs1)N1CCOCC1	ZINC000106160475	525642412	/nfs/dbraw/zinc/64/24/12/525642412.db2.gz	BRQLOLHDOKKWAU-MRXNPFEDSA-N	0	0	364.515	1.815	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C[C@H](O)COc3ccc(C#N)cc3)CCO2)c1	ZINC000106196803	525665415	/nfs/dbraw/zinc/66/54/15/525665415.db2.gz	PCHHFIMBWPRGCW-PKOBYXMFSA-N	0	0	356.426	1.204	10	30		FDEERN
Cc1c(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cnn1-c1cccc(Cl)c1	ZINC000119922069	525908642	/nfs/dbraw/zinc/90/86/42/525908642.db2.gz	OZARNWZUSYCYNY-UHFFFAOYSA-N	0	0	370.800	1.847	10	30		FDEERN
CCc1nccn1[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000109675441	526162532	/nfs/dbraw/zinc/16/25/32/526162532.db2.gz	PPQGHEKELSDWEG-QGZVFWFLSA-N	0	0	365.437	1.911	10	30		FDEERN
NC(=O)C1CCN(CC(=O)Nc2nnc(Cc3ccccc3)s2)CC1	ZINC000020522967	526856137	/nfs/dbraw/zinc/85/61/37/526856137.db2.gz	FOQFPOOHEMRFJA-UHFFFAOYSA-N	0	0	359.455	1.914	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CCC(c2ccnn2C)CC1	ZINC000184501514	536157946	/nfs/dbraw/zinc/15/79/46/536157946.db2.gz	JDHDEAQDNBQAQW-UHFFFAOYSA-N	0	0	366.421	1.777	10	30		FDEERN
C=CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1	ZINC000186382841	536233352	/nfs/dbraw/zinc/23/33/52/536233352.db2.gz	OLAGPIJLCBCGQB-LSDHHAIUSA-N	0	0	353.488	1.666	10	30		FDEERN
N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1	ZINC000187608150	536269854	/nfs/dbraw/zinc/26/98/54/536269854.db2.gz	CQYGKGLOENYDKK-IRXDYDNUSA-N	0	0	369.446	1.584	10	30		FDEERN
C=CCOc1ccc(CN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)cc1OC	ZINC000263537194	537043135	/nfs/dbraw/zinc/04/31/35/537043135.db2.gz	ZYPPXVMXKXCSEG-INIZCTEOSA-N	0	0	364.442	1.477	10	30		FDEERN
C=CCOc1ccc(CN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)cc1OC	ZINC000263537195	537043189	/nfs/dbraw/zinc/04/31/89/537043189.db2.gz	ZYPPXVMXKXCSEG-MRXNPFEDSA-N	0	0	364.442	1.477	10	30		FDEERN
CC[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1C[C@H](C)O	ZINC000246932289	537053870	/nfs/dbraw/zinc/05/38/70/537053870.db2.gz	AUSOBMQIUWASRD-ROUUACIJSA-N	0	0	358.486	1.710	10	30		FDEERN
C[C@H](O)CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1C	ZINC000248394090	537176709	/nfs/dbraw/zinc/17/67/09/537176709.db2.gz	MTKSFBVGAKVLEO-KBPBESRZSA-N	0	0	369.429	1.058	10	30		FDEERN
C=CC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1	ZINC000248667554	537203362	/nfs/dbraw/zinc/20/33/62/537203362.db2.gz	XCDGHZAWUHNZLL-KFWWJZLASA-N	0	0	353.488	1.746	10	30		FDEERN
N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O	ZINC000467077355	538603821	/nfs/dbraw/zinc/60/38/21/538603821.db2.gz	ADNAQVCSPSLLGK-WFASDCNBSA-N	0	0	361.423	1.284	10	30		FDEERN
Cn1ccnc1[C@@H]1[C@@H](CNc2ccc(C#N)cn2)CCC(=O)N1C1CC1	ZINC000596561770	552689237	/nfs/dbraw/zinc/68/92/37/552689237.db2.gz	KXJWGYRIFYHMAI-KDOFPFPSSA-N	0	0	350.426	2.241	10	30		FDEERN
Cc1n[nH]cc1CNC(=O)N1CCC[C@@H](N(C)Cc2nccc(N)n2)CC1	ZINC000328656985	571137564	/nfs/dbraw/zinc/13/75/64/571137564.db2.gz	ZWEYGJJRBSZITO-OAHLLOKOSA-N	0	0	372.477	1.491	10	30		FDEERN
N#Cc1ccccc1C(=O)N1CCC[C@@H](n2ncc(N3CCC3)cc2=O)C1	ZINC000328603128	571323808	/nfs/dbraw/zinc/32/38/08/571323808.db2.gz	DWWFMUFOHJMTCY-MRXNPFEDSA-N	0	0	363.421	1.802	10	30		FDEERN
Cn1ccnc(N2CCC[C@@H](NC(=O)c3ccc4n[nH]cc4c3)C2)c1=O	ZINC000328627257	571324957	/nfs/dbraw/zinc/32/49/57/571324957.db2.gz	FYQZBUAGFVRSSP-CQSZACIVSA-N	0	0	352.398	1.630	10	30		FDEERN
C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(C=O)C[C@H](O)[C@@H]12	ZINC000034165819	571749440	/nfs/dbraw/zinc/74/94/40/571749440.db2.gz	YWTDWORQGPLRLL-RXKIGOLRSA-N	0	0	364.482	1.717	10	30	endogenous,in-man	FDEERN
C#CCCCNC(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1	ZINC000173328604	672079322	/nfs/dbraw/zinc/07/93/22/672079322.db2.gz	AKPSLKJVYQKVNZ-UHFFFAOYSA-N	0	0	351.882	1.877	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc(C#N)cc2Br)CCO1	ZINC000262077235	672721744	/nfs/dbraw/zinc/72/17/44/672721744.db2.gz	DJYJTFBTHKPVKT-GFCCVEGCSA-N	0	0	368.231	1.542	10	30		FDEERN
N#CCC1(O)CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000302475211	676541238	/nfs/dbraw/zinc/54/12/38/676541238.db2.gz	VEYFYPJINKECFV-UHFFFAOYSA-N	0	0	365.289	1.353	10	30		FDEERN
Cn1nccc1C1CCN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1	ZINC000330101219	676672542	/nfs/dbraw/zinc/67/25/42/676672542.db2.gz	FAGCQFMIGGQWML-UHFFFAOYSA-N	0	0	357.340	1.851	10	30		FDEERN
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2C[C@H](F)C[C@@H]2CO)cn1	ZINC000330178798	676676849	/nfs/dbraw/zinc/67/68/49/676676849.db2.gz	LXLPXQDWLOYUJP-BHPKHCPMSA-N	0	0	353.398	1.382	10	30		FDEERN
N#Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C42CC2)c([N+](=O)[O-])c1	ZINC000001216290	219390577	/nfs/dbraw/zinc/39/05/77/219390577.db2.gz	GLDDWSQVBNYEPI-DKAQNHGZSA-N	0	0	362.345	1.998	10	30		FDEERN
Cn1c(NCC2(c3cccc(F)c3)CCOCC2)c(C#N)c(=O)n(C)c1=O	ZINC000054981732	221056691	/nfs/dbraw/zinc/05/66/91/221056691.db2.gz	ODHUHOYWFNAPJE-UHFFFAOYSA-N	0	0	372.400	1.255	10	30		FDEERN
CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2C#N)C12CCOCC2	ZINC000185148227	177673121	/nfs/dbraw/zinc/67/31/21/177673121.db2.gz	RTOOQMHJPIXKQK-JKSUJKDBSA-N	0	0	350.440	1.811	10	30		FDEERN
CCn1cnnc1[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000128595638	173114080	/nfs/dbraw/zinc/11/40/80/173114080.db2.gz	YXINUPVJNNDGIQ-MRXNPFEDSA-N	0	0	373.482	1.823	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1N1CCOCC1	ZINC000176991675	174099077	/nfs/dbraw/zinc/09/90/77/174099077.db2.gz	OFAHVQJINNTRIG-LRDDRELGSA-N	0	0	353.419	1.039	10	30		FDEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN([C@@H](C)c2nc(C)no2)CC1	ZINC000177055638	174104122	/nfs/dbraw/zinc/10/41/22/174104122.db2.gz	BQTBGAGMQPXADS-SUMWQHHRSA-N	0	0	369.425	1.843	10	30		FDEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000178522012	174192085	/nfs/dbraw/zinc/19/20/85/174192085.db2.gz	DNXJQAXDOXRKOU-AWEZNQCLSA-N	0	0	352.398	1.610	10	30		FDEERN
CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000181301058	174216143	/nfs/dbraw/zinc/21/61/43/174216143.db2.gz	VBQQATRIQJCUOS-UHFFFAOYSA-N	0	0	360.849	1.794	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1	ZINC000178696079	258332431	/nfs/dbraw/zinc/33/24/31/258332431.db2.gz	XSAJDTWLGOAAAG-LJQANCHMSA-N	0	0	371.462	1.598	10	30		FDEERN
C[C@@H]1CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CC[C@H](C)[C@H](O)C3)c2)C[C@H]1O	ZINC000301963146	259036918	/nfs/dbraw/zinc/03/69/18/259036918.db2.gz	UOAQTNQSTWDUIM-JGTCGTHISA-N	0	0	374.441	1.881	10	30		FDEERN
C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@@]2(O)C(=O)C=O	ZINC000504807906	263772487	/nfs/dbraw/zinc/77/24/87/263772487.db2.gz	ZJGKMJHMOAPNRY-YKAMNDFBSA-N	0	0	356.418	1.972	10	30		FDEERN
Cn1cc(CN2CCCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1	ZINC000157598985	524304790	/nfs/dbraw/zinc/30/47/90/524304790.db2.gz	OHLDRXJNCBYDHB-UHFFFAOYSA-N	0	0	359.455	1.188	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3cccc(C#N)c3)CCO2)n1	ZINC000111815258	524343355	/nfs/dbraw/zinc/34/33/55/524343355.db2.gz	BXIONAJKYXXYFO-SFHVURJKSA-N	0	0	353.426	1.982	10	30		FDEERN
Cc1nnc([C@H]2CN(Cc3nnc(-c4ccc(C#N)cc4)o3)CCO2)[nH]1	ZINC000173670562	524431444	/nfs/dbraw/zinc/43/14/44/524431444.db2.gz	WNAZNHOGHKACCV-CQSZACIVSA-N	0	0	351.370	1.608	10	30		FDEERN
CC[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCN1C[C@@H](C)O	ZINC000122752561	524610644	/nfs/dbraw/zinc/61/06/44/524610644.db2.gz	XBSMDYZAPKQMNS-YPMHNXCESA-N	0	0	373.425	1.302	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000123161077	524694438	/nfs/dbraw/zinc/69/44/38/524694438.db2.gz	OGXBOOQQHAQAJB-VBKZILBWSA-N	0	0	374.412	1.930	10	30		FDEERN
C=CCCS(=O)(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1	ZINC000093021305	524945662	/nfs/dbraw/zinc/94/56/62/524945662.db2.gz	SITBHWZMMJAGBS-UHFFFAOYSA-N	0	0	360.483	1.896	10	30		FDEERN
CC(C)(C)OC(=O)N1CC[C@H](CS(=O)(=O)c2ncccc2C#N)C1	ZINC000095084189	525028223	/nfs/dbraw/zinc/02/82/23/525028223.db2.gz	PPLKQFNREVGENB-LBPRGKRZSA-N	0	0	351.428	1.984	10	30		FDEERN
COc1ccc2c(c1OC)[C@@]13CCN(C)[C@]1(C[C@@H]2O)C(=O)C(OC)=CC3	ZINC000096023801	525122831	/nfs/dbraw/zinc/12/28/31/525122831.db2.gz	WOJRBUGBSKAUMI-CJMONDIMSA-N	0	0	359.422	1.956	10	30	biogenic	FDEERN
N#C[C@H]1CN(C(=O)N[C@@H]2CCCn3ncnc32)CCN1Cc1ccccc1	ZINC000176600437	525150627	/nfs/dbraw/zinc/15/06/27/525150627.db2.gz	NIRNAVGUCJFODT-DLBZAZTESA-N	0	0	365.441	1.533	10	30		FDEERN
COCCN1CCN(C(=O)CCc2c(C)nn(CCC#N)c2C)C[C@H]1C	ZINC000117292912	525305931	/nfs/dbraw/zinc/30/59/31/525305931.db2.gz	HSEPSQWFPYOAAB-OAHLLOKOSA-N	0	0	361.490	1.525	10	30		FDEERN
CNS(=O)(=O)c1cccc(C(=O)N(CCC#N)Cc2ccccn2)c1	ZINC000103439875	525353481	/nfs/dbraw/zinc/35/34/81/525353481.db2.gz	XIVOSOYUEBDLQQ-UHFFFAOYSA-N	0	0	358.423	1.546	10	30		FDEERN
COCCN1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000106108201	525598004	/nfs/dbraw/zinc/59/80/04/525598004.db2.gz	CZBHTNRXPNSVOA-ROUUACIJSA-N	0	0	358.486	1.974	10	30		FDEERN
N#Cc1ccc(Cl)cc1NC(=O)CN1CCO[C@@H](Cn2cccn2)C1	ZINC000106191399	525662575	/nfs/dbraw/zinc/66/25/75/525662575.db2.gz	FQSJSOGZPRBTLV-OAHLLOKOSA-N	0	0	359.817	1.748	10	30		FDEERN
Cc1cnn(C[C@H]2CN([C@@H](C)C(=O)Nc3ccccc3C#N)CCO2)c1	ZINC000106196657	525666476	/nfs/dbraw/zinc/66/64/76/525666476.db2.gz	PJKBDRQTIFGJHH-DOTOQJQBSA-N	0	0	353.426	1.791	10	30		FDEERN
C=CCNC(=O)CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C	ZINC000181608718	525879638	/nfs/dbraw/zinc/87/96/38/525879638.db2.gz	BCVYRTQDZSOFOW-OAHLLOKOSA-N	0	0	351.834	1.513	10	30		FDEERN
Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1	ZINC000183746617	536041583	/nfs/dbraw/zinc/04/15/83/536041583.db2.gz	SSOXHCRTVQCWML-ZDUSSCGKSA-N	0	0	368.802	1.665	10	30		FDEERN
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1C	ZINC000185796009	536217739	/nfs/dbraw/zinc/21/77/39/536217739.db2.gz	FGGYWCFZIOCURL-HNNXBMFYSA-N	0	0	360.439	1.925	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cc1C(F)(F)F	ZINC000187920696	536277993	/nfs/dbraw/zinc/27/79/93/536277993.db2.gz	LZKOEPSQVDKKLK-UHFFFAOYSA-N	0	0	373.356	1.476	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1N1CCOCC1	ZINC000246220604	536902722	/nfs/dbraw/zinc/90/27/22/536902722.db2.gz	UYRJWHOQBLJBBR-SWLSCSKDSA-N	0	0	369.874	1.553	10	30		FDEERN
CCOc1ccnc(N2CCN(C(=O)c3cccc(F)c3C#N)CC2)n1	ZINC000189138005	537003586	/nfs/dbraw/zinc/00/35/86/537003586.db2.gz	IAZUNIIEWKAYAE-UHFFFAOYSA-N	0	0	355.373	1.848	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NC2(c3cccc(C#N)c3)CC2)C1	ZINC000263453088	537033329	/nfs/dbraw/zinc/03/33/29/537033329.db2.gz	GSWLFWDVLDCGMR-UHFFFAOYSA-N	0	0	356.426	1.784	10	30		FDEERN
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C)c2C#N)CCN1C[C@H](C)O	ZINC000247112280	537083513	/nfs/dbraw/zinc/08/35/13/537083513.db2.gz	RETRYXXMSDTDSR-GJZGRUSLSA-N	0	0	358.442	1.109	10	30		FDEERN
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1	ZINC000190157118	537147583	/nfs/dbraw/zinc/14/75/83/537147583.db2.gz	OGFZDYKBAPOJJJ-CQSZACIVSA-N	0	0	369.429	1.925	10	30		FDEERN
N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCCC[C@@H]3O)C2=O)cc1	ZINC000190238452	537155977	/nfs/dbraw/zinc/15/59/77/537155977.db2.gz	NFJHBAPGHNSAFR-BZSNNMDCSA-N	0	0	370.453	1.509	10	30		FDEERN
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1OS(C)(=O)=O	ZINC000215517089	537439719	/nfs/dbraw/zinc/43/97/19/537439719.db2.gz	IETHWOKVVDPXNT-MNOVXSKESA-N	0	0	351.421	1.151	10	30		FDEERN
N#Cc1cccc(NC[C@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)n1	ZINC000328607754	571324067	/nfs/dbraw/zinc/32/40/67/571324067.db2.gz	WYMBFWCUQOSJJE-AWEZNQCLSA-N	0	0	366.425	1.297	10	30		FDEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN3CCCC[C@@H]3C2)c1	ZINC000195044065	672393269	/nfs/dbraw/zinc/39/32/69/672393269.db2.gz	JODVLKZDXDDSMP-MRXNPFEDSA-N	0	0	363.483	1.461	10	30		FDEERN
Cc1noc([C@@H]2CC[C@H](CNC(=O)N[C@H]3CCC(=O)NC3(C)C)O2)n1	ZINC000328748121	676605069	/nfs/dbraw/zinc/60/50/69/676605069.db2.gz	PLTJZASGXCKNTD-WOPDTQHZSA-N	0	0	351.407	1.999	10	30		FDEERN
N#Cc1ccc(OCc2cccc(C(=O)N3CCOC[C@@H]3CO)c2)cc1	ZINC000912422401	859753763	/nfs/dbraw/zinc/75/37/63/859753763.db2.gz	UVMSPMANZKTXJJ-SFHVURJKSA-N	0	0	352.390	1.971	10	30		FDEERN
CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CCO2)cn1	ZINC000190501006	178005536	/nfs/dbraw/zinc/00/55/36/178005536.db2.gz	OXUJBQJDZHANHY-INIZCTEOSA-N	0	0	371.372	1.452	10	30		FDEERN
CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3C)CCO2)cn1	ZINC000190532991	178008597	/nfs/dbraw/zinc/00/85/97/178008597.db2.gz	ZCQVQGNRUQNGDG-KRWDZBQOSA-N	0	0	367.409	1.622	10	30		FDEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1	ZINC000193483499	178166342	/nfs/dbraw/zinc/16/63/42/178166342.db2.gz	UIGHFGRAORUHDF-UHFFFAOYSA-N	0	0	371.441	1.180	10	30		FDEERN
C[C@H](C#N)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O	ZINC000068925066	221318928	/nfs/dbraw/zinc/31/89/28/221318928.db2.gz	SLENVSNKONUTFT-SECBINFHSA-N	0	0	364.199	1.854	10	30		FDEERN
CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)NCC[NH2+]CCCO	ZINC000071973582	221391542	/nfs/dbraw/zinc/39/15/42/221391542.db2.gz	LCWVZWFWEGGWME-UHFFFAOYSA-N	0	0	360.455	1.568	10	30		FDEERN
CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C12CCOCC2	ZINC000185151217	177674065	/nfs/dbraw/zinc/67/40/65/177674065.db2.gz	HNSLQQJUJFIJAO-CVEARBPZSA-N	0	0	350.440	1.811	10	30		FDEERN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000172676204	258282369	/nfs/dbraw/zinc/28/23/69/258282369.db2.gz	ZTFNGFKNJPDQQG-UHFFFAOYSA-N	0	0	373.482	1.497	10	30		FDEERN
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)n1	ZINC000091249343	172282316	/nfs/dbraw/zinc/28/23/16/172282316.db2.gz	JSMROIDBXOCALS-KSSFIOAISA-N	0	0	359.430	1.428	10	30		FDEERN
N#Cc1ccc2ncc(CN3CC[C@H](S(=O)(=O)N4CCCC4)C3)n2c1	ZINC000092044798	172293010	/nfs/dbraw/zinc/29/30/10/172293010.db2.gz	WTSVCAYKRVECMA-INIZCTEOSA-N	0	0	359.455	1.206	10	30		FDEERN
N#Cc1c(NC(=O)CN2CCOC[C@H]2C(N)=O)sc2c1CCCCC2	ZINC000092421388	172297299	/nfs/dbraw/zinc/29/72/99/172297299.db2.gz	RNZVYVFRCRWSSB-ZDUSSCGKSA-N	0	0	362.455	1.013	10	30		FDEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(Cn2cccn2)CC1	ZINC000126278794	173035034	/nfs/dbraw/zinc/03/50/34/173035034.db2.gz	SUFACMKRUMEZMH-UHFFFAOYSA-N	0	0	367.453	1.931	10	30		FDEERN
Cc1c(C)n(-c2ccccc2)c(NC(=O)CSC[C@H](O)CO)c1C#N	ZINC000177432654	174130572	/nfs/dbraw/zinc/13/05/72/174130572.db2.gz	WPZICDHNJUOMDV-OAHLLOKOSA-N	0	0	359.451	1.991	10	30		FDEERN
N#Cc1cc(NC(=O)C(=O)N2CCO[C@H](c3nccs3)C2)ccc1F	ZINC000177520026	174138469	/nfs/dbraw/zinc/13/84/69/174138469.db2.gz	XJFWWTLMYCIHHK-ZDUSSCGKSA-N	0	0	360.370	1.692	10	30		FDEERN
Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cn1	ZINC000179656474	258355415	/nfs/dbraw/zinc/35/54/15/258355415.db2.gz	HSBROIKWCOXRKY-CQSZACIVSA-N	0	0	369.429	1.545	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)CCNc2cc(C#N)nc3ccccc32)C[C@H](C)O1	ZINC000301378248	259027174	/nfs/dbraw/zinc/02/71/74/259027174.db2.gz	YOJOSKHUYJBNEL-OKILXGFUSA-N	0	0	374.466	1.957	10	30		FDEERN
N#Cc1cc(S(N)(=O)=O)ccc1NCCc1nc2cc(F)ccc2[nH]1	ZINC000301720949	259032285	/nfs/dbraw/zinc/03/22/85/259032285.db2.gz	MOMHMSRCQHQBJR-UHFFFAOYSA-N	0	0	359.386	1.876	10	30		FDEERN
Cc1cc(NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C#N)c(C)n1	ZINC000301784761	259033305	/nfs/dbraw/zinc/03/33/05/259033305.db2.gz	OMAQABPZZTXVGV-CHWSQXEVSA-N	0	0	352.460	1.421	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN4CCOC[C@H]4C3)C2)n1	ZINC000329458395	259096756	/nfs/dbraw/zinc/09/67/56/259096756.db2.gz	QXZNEYHLTJRBNV-ZWKOTPCHSA-N	0	0	369.469	1.021	10	30		FDEERN
N#Cc1cccnc1N1CCCN(C(=O)NCCc2cccnc2)CC1	ZINC000056606300	521886291	/nfs/dbraw/zinc/88/62/91/521886291.db2.gz	KISQAPYABZQPAU-UHFFFAOYSA-N	0	0	350.426	1.813	10	30		FDEERN
N#CCc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1	ZINC000069555467	521911964	/nfs/dbraw/zinc/91/19/64/521911964.db2.gz	NYRZKQIVLBJJIC-QGZVFWFLSA-N	0	0	362.389	1.613	10	30		FDEERN
Cc1cc(NC(=O)[C@@H](C)N2CCCN(c3ncccc3C#N)CC2)on1	ZINC000064633087	522738058	/nfs/dbraw/zinc/73/80/58/522738058.db2.gz	NBYDTOUNXRGNQC-CQSZACIVSA-N	0	0	354.414	1.789	10	30		FDEERN
CN(C(=O)CNc1cc(-n2cnnn2)ccc1F)C1(C#N)CCCCC1	ZINC000066469503	523067508	/nfs/dbraw/zinc/06/75/08/523067508.db2.gz	GSRAZKUUKAMVLW-UHFFFAOYSA-N	0	0	357.393	1.898	10	30		FDEERN
Cc1nc(C[C@H]2CCCN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)no1	ZINC000136230818	524191115	/nfs/dbraw/zinc/19/11/15/524191115.db2.gz	TZBBSDHAJWWLFH-OAHLLOKOSA-N	0	0	353.378	1.940	10	30		FDEERN
C=CCOc1ccccc1C(=O)N1CCN(c2ccc3nncn3n2)CC1	ZINC000136412599	524198898	/nfs/dbraw/zinc/19/88/98/524198898.db2.gz	SEKCNPZPXIBLLF-UHFFFAOYSA-N	0	0	364.409	1.652	10	30		FDEERN
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CCc2ncnn2C1	ZINC000157537594	524294091	/nfs/dbraw/zinc/29/40/91/524294091.db2.gz	GLMFZPZESJHEGI-NSHDSACASA-N	0	0	371.344	1.462	10	30		FDEERN
C[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CCS1(=O)=O	ZINC000121729854	524343958	/nfs/dbraw/zinc/34/39/58/524343958.db2.gz	WFQVRHMJHKLGIK-CYBMUJFWSA-N	0	0	374.418	1.989	10	30		FDEERN
COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCc2ncnn2C1	ZINC000112652890	524525459	/nfs/dbraw/zinc/52/54/59/524525459.db2.gz	PKYKCSBSKKAKEI-AWEZNQCLSA-N	0	0	355.398	1.449	10	30		FDEERN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](Oc3cccnc3)C2)CC1	ZINC000092619152	524900206	/nfs/dbraw/zinc/90/02/06/524900206.db2.gz	FFLAXXPKPLOSBX-OALUTQOASA-N	0	0	371.485	1.227	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)CC2	ZINC000114874367	524903093	/nfs/dbraw/zinc/90/30/93/524903093.db2.gz	OVSNXYLNYRDPEJ-LLVKDONJSA-N	0	0	365.846	1.659	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCc3nc(CC)nn3C2)cc1	ZINC000114903363	524905128	/nfs/dbraw/zinc/90/51/28/524905128.db2.gz	MSFAJLALJMNOFP-HNNXBMFYSA-N	0	0	368.441	1.893	10	30		FDEERN
Cc1ccc(C#N)cc1S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000115580983	525028387	/nfs/dbraw/zinc/02/83/87/525028387.db2.gz	KMYHOAQAGMHYGG-UHFFFAOYSA-N	0	0	373.482	1.497	10	30		FDEERN
N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)c1	ZINC000161253405	525066810	/nfs/dbraw/zinc/06/68/10/525066810.db2.gz	MHWAPBGKZCBPDV-OAHLLOKOSA-N	0	0	366.425	1.718	10	30		FDEERN
C#CCN(C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)C1CCCC1	ZINC000176448065	525121878	/nfs/dbraw/zinc/12/18/78/525121878.db2.gz	LBZPHKHWUQUTPZ-MRXNPFEDSA-N	0	0	357.458	1.811	10	30		FDEERN
CC(C)(C)N1C[C@@H](NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1=O	ZINC000153385388	525197643	/nfs/dbraw/zinc/19/76/43/525197643.db2.gz	UQQPTRVDGSFUOV-AWEZNQCLSA-N	0	0	356.426	1.730	10	30		FDEERN
N#Cc1ccsc1C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1	ZINC000117310177	525317961	/nfs/dbraw/zinc/31/79/61/525317961.db2.gz	JXQIMORXTKUJPS-MRXNPFEDSA-N	0	0	371.462	1.817	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)c1	ZINC000177655043	525325305	/nfs/dbraw/zinc/32/53/05/525325305.db2.gz	DNOAHCVYZIYACW-SFHVURJKSA-N	0	0	366.421	1.347	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)c1	ZINC000177646286	525326162	/nfs/dbraw/zinc/32/61/62/525326162.db2.gz	FUUDLKBJCKIIRP-QGZVFWFLSA-N	0	0	365.437	1.754	10	30		FDEERN
CCn1cnnc1[C@H]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000117973028	525418867	/nfs/dbraw/zinc/41/88/67/525418867.db2.gz	VDXMPIZDMWMEBS-INIZCTEOSA-N	0	0	366.425	1.306	10	30		FDEERN
C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCCC3)c1	ZINC000165558693	525554953	/nfs/dbraw/zinc/55/49/53/525554953.db2.gz	NSGRTDXRFLWDPU-ZDUSSCGKSA-N	0	0	369.425	1.995	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)n1	ZINC000106133527	525623342	/nfs/dbraw/zinc/62/33/42/525623342.db2.gz	KDMZZNZORZHPLP-YOEHRIQHSA-N	0	0	371.441	1.368	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)n1	ZINC000106136133	525626638	/nfs/dbraw/zinc/62/66/38/525626638.db2.gz	BCENTGIQHMPOSI-AWEZNQCLSA-N	0	0	368.441	1.957	10	30		FDEERN
Cc1nn(C)c(C)c1CN1CCN(CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000106143803	525628875	/nfs/dbraw/zinc/62/88/75/525628875.db2.gz	KPVYTNKMXVKUMG-UHFFFAOYSA-N	0	0	366.469	1.665	10	30		FDEERN
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@@H](C)C(=O)OC(C)(C)C)CC1	ZINC000180703940	525742257	/nfs/dbraw/zinc/74/22/57/525742257.db2.gz	YMESDULFIGYRNH-HOTGVXAUSA-N	0	0	366.506	1.341	10	30		FDEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)n1	ZINC000119444763	525748631	/nfs/dbraw/zinc/74/86/31/525748631.db2.gz	LYBBXERNPMEZAQ-KRWDZBQOSA-N	0	0	366.421	1.914	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1	ZINC000131121195	525830300	/nfs/dbraw/zinc/83/03/00/525830300.db2.gz	VFZCTYBUVQIEGA-QGZVFWFLSA-N	0	0	366.421	1.821	10	30		FDEERN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000155662736	525937322	/nfs/dbraw/zinc/93/73/22/525937322.db2.gz	VEIKVMHZOONDHG-PBHICJAKSA-N	0	0	363.483	1.318	10	30		FDEERN
COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000171368125	525965610	/nfs/dbraw/zinc/96/56/10/525965610.db2.gz	RDHJOKPPMIGRHG-VXGBXAGGSA-N	0	0	370.365	1.264	10	30		FDEERN
CC(C)c1nnc(CS(=O)(=O)CC(=O)Nc2cccc(C#N)c2)n1C	ZINC000182392539	526157566	/nfs/dbraw/zinc/15/75/66/526157566.db2.gz	UWLJTYLMLISSMT-UHFFFAOYSA-N	0	0	361.427	1.364	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1C	ZINC000246509318	536969624	/nfs/dbraw/zinc/96/96/24/536969624.db2.gz	YFHOPVQLXUBOMC-CYBMUJFWSA-N	0	0	371.890	1.943	10	30		FDEERN
C=CCc1cc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc(OC)c1OC	ZINC000246931000	537053373	/nfs/dbraw/zinc/05/33/73/537053373.db2.gz	ZIGSJDSHULEVIV-GJZGRUSLSA-N	0	0	362.470	1.959	10	30		FDEERN
C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1	ZINC000193015827	537238113	/nfs/dbraw/zinc/23/81/13/537238113.db2.gz	ODMGNADPAKVRSA-LBPRGKRZSA-N	0	0	358.423	1.766	10	30		FDEERN
CC1(C)C(c2ccco2)=[N+]([O-])[C@@]2(CCCCC/C2=N\NC(N)=S)N1O	ZINC000225401784	537546027	/nfs/dbraw/zinc/54/60/27/537546027.db2.gz	KIWZSLVWYRCRFX-IQFISFIMSA-O	0	0	366.467	1.803	10	30		FDEERN
CC(=O)N[C@@H](C)c1ccc2nc(N3CC(OS(C)(=O)=O)C3)oc2c1	ZINC000584591099	551523093	/nfs/dbraw/zinc/52/30/93/551523093.db2.gz	RQTNERNOANSHNM-VIFPVBQESA-N	0	0	353.400	1.190	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@H]1CCCN(C(=O)NCc2ccco2)CC1	ZINC000328656717	571136938	/nfs/dbraw/zinc/13/69/38/571136938.db2.gz	ZPILXAZMNUHQQP-AWEZNQCLSA-N	0	0	358.446	2.052	10	30		FDEERN
C=C(Br)CNC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000195247539	672401151	/nfs/dbraw/zinc/40/11/51/672401151.db2.gz	AUYJQPFPTAFQOH-NWDGAFQWSA-N	0	0	374.191	1.197	10	30		FDEERN
CC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCN1C[C@H](C)O	ZINC000246087343	672486286	/nfs/dbraw/zinc/48/62/86/672486286.db2.gz	IUVLGRVREVBMGV-WFASDCNBSA-N	0	0	355.435	1.163	10	30		FDEERN
Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000913089932	861394855	/nfs/dbraw/zinc/39/48/55/861394855.db2.gz	UDBQTNILTQEMDB-FOIQADDNSA-N	0	0	367.405	1.764	10	30		FDEERN
CCC#CCN1C[C@@H](NC(=O)c2ccccc2C#N)C[C@H]1C(=O)NCC	ZINC000096151074	1015038614	/nfs/dbraw/zinc/03/86/14/1015038614.db2.gz	YAVGIXDVHRFXRU-WMZOPIPTSA-N	0	0	352.438	1.280	10	30		FDEERN
C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1C	ZINC000245775240	178380770	/nfs/dbraw/zinc/38/07/70/178380770.db2.gz	AIPRBSHUCNJJHF-RYUDHWBXSA-N	0	0	357.863	1.287	10	30		FDEERN
C[C@H](CN(C)C(=O)c1cccc(I)c1)/C(N)=N/O	ZINC000042459281	220939335	/nfs/dbraw/zinc/93/93/35/220939335.db2.gz	AUZPUVRUSVBGDW-MRVPVSSYSA-N	0	0	361.183	1.746	10	30		FDEERN
CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)CC2	ZINC000188299672	177853110	/nfs/dbraw/zinc/85/31/10/177853110.db2.gz	CTVJKRKIMRLSRD-CYBMUJFWSA-N	0	0	370.388	1.482	10	30		FDEERN
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)n1	ZINC000091189782	172276594	/nfs/dbraw/zinc/27/65/94/172276594.db2.gz	VRLQABNLBPNUKE-CQSZACIVSA-N	0	0	353.382	1.914	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)CCc3ccc(C#N)cc3)C2=O)n(C)n1	ZINC000175002712	173978717	/nfs/dbraw/zinc/97/87/17/173978717.db2.gz	PBXMIGMORJUJNZ-QGZVFWFLSA-N	0	0	365.437	1.845	10	30		FDEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1	ZINC000180967968	174198425	/nfs/dbraw/zinc/19/84/25/174198425.db2.gz	PBNMBEJXZOBFCN-LBPRGKRZSA-N	0	0	365.846	1.904	10	30		FDEERN
CCc1nnc([C@@H]2CN(S(=O)(=O)Cc3cccc(C#N)c3)CCO2)[nH]1	ZINC000173739999	258309023	/nfs/dbraw/zinc/30/90/23/258309023.db2.gz	YKKKTIXHTIUVQH-AWEZNQCLSA-N	0	0	361.427	1.142	10	30		FDEERN
CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2cccc(C#N)c2)ncn1	ZINC000173790611	258310891	/nfs/dbraw/zinc/31/08/91/258310891.db2.gz	XVUAMUISJXXEEK-MRXNPFEDSA-N	0	0	365.441	1.858	10	30		FDEERN
CC(C)[N@H+]1C[C@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H](C)C1	ZINC000184597947	258382274	/nfs/dbraw/zinc/38/22/74/258382274.db2.gz	YXJGBBHJCFXKQC-BBRMVZONSA-N	0	0	353.430	1.989	10	30		FDEERN
CC[C@H](O)CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000184623305	258382725	/nfs/dbraw/zinc/38/27/25/258382725.db2.gz	REEZYWGPZHZWPO-INIZCTEOSA-N	0	0	369.429	1.059	10	30		FDEERN
Cn1c(NC[C@H]2C[C@]23CCCc2ccccc23)c(C#N)c(=O)n(C)c1=O	ZINC000301659596	259031482	/nfs/dbraw/zinc/03/14/82/259031482.db2.gz	TVLJGUVKUOQCPR-JLTOFOAXSA-N	0	0	350.422	1.662	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCn4ccnc4C3)C2)n1	ZINC000329911384	259116918	/nfs/dbraw/zinc/11/69/18/259116918.db2.gz	NUNRTIQRGYAKIF-INIZCTEOSA-N	0	0	350.426	1.717	10	30		FDEERN
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)C[C@@H](OC(=O)/C(=C/C)CO)[C@H]12	ZINC000253399807	518657141	/nfs/dbraw/zinc/65/71/41/518657141.db2.gz	JZJVLLYTTWUPBF-LWHGDZCHSA-N	0	0	362.422	1.982	10	30		FDEERN
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12	ZINC000253399805	518657779	/nfs/dbraw/zinc/65/77/79/518657779.db2.gz	JZJVLLYTTWUPBF-KTQNGHIYSA-N	0	0	362.422	1.982	10	30		FDEERN
CCCC(=O)N[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000156707156	524133513	/nfs/dbraw/zinc/13/35/13/524133513.db2.gz	KIGDEZRGQUJAAH-MRXNPFEDSA-N	0	0	363.483	1.713	10	30		FDEERN
Cc1nc(C[C@@H]2CCCN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)no1	ZINC000136230793	524190206	/nfs/dbraw/zinc/19/02/06/524190206.db2.gz	TZBBSDHAJWWLFH-HNNXBMFYSA-N	0	0	353.378	1.940	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)Nc3ccn(CCC#N)n3)C2=O)n(C)n1	ZINC000173359267	524373271	/nfs/dbraw/zinc/37/32/71/524373271.db2.gz	UJBIEJMPTJRKPN-ZDUSSCGKSA-N	0	0	370.417	1.156	10	30		FDEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1	ZINC000173805297	524461251	/nfs/dbraw/zinc/46/12/51/524461251.db2.gz	XWGAKJCXRSYSJW-KXBFYZLASA-N	0	0	373.501	1.525	10	30		FDEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1	ZINC000173805272	524461338	/nfs/dbraw/zinc/46/13/38/524461338.db2.gz	XWGAKJCXRSYSJW-HNAYVOBHSA-N	0	0	373.501	1.525	10	30		FDEERN
N#CCOc1cccc(CC(=O)N2CCCN(c3cccnn3)CC2)c1	ZINC000089769119	524525410	/nfs/dbraw/zinc/52/54/10/524525410.db2.gz	OGUBVHSTXQKBGP-UHFFFAOYSA-N	0	0	351.410	1.660	10	30		FDEERN
C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(S(N)(=O)=O)cc1	ZINC000151158129	524530229	/nfs/dbraw/zinc/53/02/29/524530229.db2.gz	FBKMEGMACWABCT-VIFPVBQESA-N	0	0	365.361	1.975	10	30		FDEERN
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cc(C#N)ccc1F	ZINC000174423094	524573172	/nfs/dbraw/zinc/57/31/72/524573172.db2.gz	NBNQCANIWKIHDF-OAHLLOKOSA-N	0	0	353.419	1.518	10	30		FDEERN
CCOc1ccnc(N2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)n1	ZINC000152357983	524857057	/nfs/dbraw/zinc/85/70/57/524857057.db2.gz	CJUKYLVHEBFKQC-UHFFFAOYSA-N	0	0	373.363	1.988	10	30		FDEERN
Cn1cc([C@H]2[C@H](C(=O)Nc3ccc(F)c(C#N)c3)CCC(=O)N2C)cn1	ZINC000115214976	524953958	/nfs/dbraw/zinc/95/39/58/524953958.db2.gz	XJTMAFKDFBYRQQ-PBHICJAKSA-N	0	0	355.373	1.979	10	30		FDEERN
CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H]1CC	ZINC000177617538	525321459	/nfs/dbraw/zinc/32/14/59/525321459.db2.gz	HXHXZKDLYSPCQH-KRWDZBQOSA-N	0	0	358.442	1.456	10	30		FDEERN
CCOCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1C	ZINC000117521914	525358155	/nfs/dbraw/zinc/35/81/55/525358155.db2.gz	LZSFLCPAGDENCH-CYBMUJFWSA-N	0	0	362.405	1.205	10	30		FDEERN
CNC(=O)[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(C)C	ZINC000178456268	525431880	/nfs/dbraw/zinc/43/18/80/525431880.db2.gz	AJAOXINCVZPHOJ-QGZVFWFLSA-N	0	0	358.442	1.882	10	30		FDEERN
CCc1nnc([C@@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CCO2)[nH]1	ZINC000164078311	525475991	/nfs/dbraw/zinc/47/59/91/525475991.db2.gz	HYFBJVPBFDHUPI-HNNXBMFYSA-N	0	0	369.425	1.996	10	30		FDEERN
Cn1cc(CN2CCCN(CC(=O)Nc3ccc(C#N)cc3)CC2)cn1	ZINC000106156736	525640090	/nfs/dbraw/zinc/64/00/90/525640090.db2.gz	XUPSJWPWXDFXRN-UHFFFAOYSA-N	0	0	352.442	1.438	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@H]2C)ccc1F	ZINC000131334063	525847276	/nfs/dbraw/zinc/84/72/76/525847276.db2.gz	YLPULQYWYGIOIV-VXGBXAGGSA-N	0	0	356.419	1.539	10	30		FDEERN
N#CC1(CS(=O)(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)CC1	ZINC000328631027	526433845	/nfs/dbraw/zinc/43/38/45/526433845.db2.gz	QLYWRXKLUFFDPA-SNVBAGLBSA-N	0	0	362.377	1.687	10	30		FDEERN
C[C@@H]1COC[C@H](C)N1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000183180827	535937663	/nfs/dbraw/zinc/93/76/63/535937663.db2.gz	WDFBQJKZXMVLCX-XHSDSOJGSA-N	0	0	362.499	1.566	10	30		FDEERN
CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C12CCOCC2	ZINC000185151158	536200398	/nfs/dbraw/zinc/20/03/98/536200398.db2.gz	HNSLQQJUJFIJAO-JKSUJKDBSA-N	0	0	350.440	1.811	10	30		FDEERN
CCOCCN1CCN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1C	ZINC000246434951	536952799	/nfs/dbraw/zinc/95/27/99/536952799.db2.gz	LOYTVPPCCHUWBU-HOCLYGCPSA-N	0	0	362.499	1.768	10	30		FDEERN
CC[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCN1C[C@H](C)O	ZINC000245535394	537660292	/nfs/dbraw/zinc/66/02/92/537660292.db2.gz	IBYSAVGNCFTGEK-DOTOQJQBSA-N	0	0	365.499	1.109	10	30		FDEERN
C=CCO[C@H]1[C@H](O)[C@@H](COCc2ccccc2)O[C@@H](OC)[C@H]1NC(C)=O	ZINC000575417747	550461879	/nfs/dbraw/zinc/46/18/79/550461879.db2.gz	SGMRSCAPZVOLHO-RHQZKXFESA-N	0	0	365.426	1.011	10	30		FDEERN
Cn1cc(O[C@@H]2CN(c3ccc(C(F)(F)F)c(C#N)c3)C[C@H]2O)cn1	ZINC000599115098	552969760	/nfs/dbraw/zinc/96/97/60/552969760.db2.gz	SXZATORIZQCHHP-HUUCEWRRSA-N	0	0	352.316	1.939	10	30		FDEERN
C=C1C(=O)O[C@@H]2C=C(C)[C@@H](O)C/C=C(/C)C[C@H](OC(=O)/C(C)=C/CO)[C@@H]12	ZINC000252478565	571279922	/nfs/dbraw/zinc/27/99/22/571279922.db2.gz	APOGLVUGPAVNAP-LMXBRDJPSA-N	0	0	362.422	1.982	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2ncc([N+](=O)[O-])cc2C#N)C1	ZINC000702807058	884229964	/nfs/dbraw/zinc/22/99/64/884229964.db2.gz	NPCYQUPYZUHDHX-YPMHNXCESA-N	0	0	363.374	1.501	10	30		FDEERN
C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000190990525	178034415	/nfs/dbraw/zinc/03/44/15/178034415.db2.gz	JAIZCIMPFJKVNH-SECBINFHSA-N	0	0	372.244	1.220	10	30		FDEERN
C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)C=C(C)C)[C@]1(C)C(=O)C=C[C@H]1[C@H](C)[C@H]2O	ZINC000004098102	291033704	/nfs/dbraw/zinc/03/37/04/291033704.db2.gz	QQEQKSVDPDNRRR-GQDZUWFTSA-N	0	0	360.406	1.734	10	30	biogenic,in-vitro	FDEERN
CNC(=O)[C@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(Cl)cc2)S1	ZINC000058945337	221123940	/nfs/dbraw/zinc/12/39/40/221123940.db2.gz	KPDYMGRSBBCTFV-FOTIKMNESA-N	0	0	369.830	1.581	10	30		FDEERN
CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C12CCOCC2	ZINC000185151175	177674303	/nfs/dbraw/zinc/67/43/03/177674303.db2.gz	HNSLQQJUJFIJAO-HOTGVXAUSA-N	0	0	350.440	1.811	10	30		FDEERN
C=CCNC(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(C2CC2)C3=O)C1	ZINC000012135005	132373493	/nfs/dbraw/zinc/37/34/93/132373493.db2.gz	RKAUYJWJXFVJKN-ZDUSSCGKSA-N	0	0	353.422	1.964	10	30		FDEERN
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(c2ccnn2CCO)CC1	ZINC000089543491	172244530	/nfs/dbraw/zinc/24/45/30/172244530.db2.gz	QUBMNMVHODFYSI-HNNXBMFYSA-N	0	0	368.437	1.921	10	30		FDEERN
CC[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCN1C[C@@H](C)O	ZINC000122752389	172912352	/nfs/dbraw/zinc/91/23/52/172912352.db2.gz	XBSMDYZAPKQMNS-DGCLKSJQSA-N	0	0	373.425	1.302	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)CC2	ZINC000137127381	173368576	/nfs/dbraw/zinc/36/85/76/173368576.db2.gz	KIFMXFYJWQYGIQ-HNNXBMFYSA-N	0	0	366.425	1.134	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)CC2	ZINC000137127330	173368608	/nfs/dbraw/zinc/36/86/08/173368608.db2.gz	KIFMXFYJWQYGIQ-OAHLLOKOSA-N	0	0	366.425	1.134	10	30		FDEERN
CCc1nc(C2(NC(=O)CNC(=O)c3ccc(C#N)cc3)CCCC2)no1	ZINC000164265981	173805363	/nfs/dbraw/zinc/80/53/63/173805363.db2.gz	PVDMOXCCCRLAGG-UHFFFAOYSA-N	0	0	367.409	1.819	10	30		FDEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C1	ZINC000174821674	173962546	/nfs/dbraw/zinc/96/25/46/173962546.db2.gz	OGWNPEOGVDHRFY-CQSZACIVSA-N	0	0	356.426	1.713	10	30		FDEERN
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC(Nc2cccnn2)CC1	ZINC000176011291	174043689	/nfs/dbraw/zinc/04/36/89/174043689.db2.gz	DUZHGFGHDWXYJQ-UHFFFAOYSA-N	0	0	368.372	1.529	10	30		FDEERN
Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)no1	ZINC000177590042	174142921	/nfs/dbraw/zinc/14/29/21/174142921.db2.gz	VAAGROSBZMBWCK-LBPRGKRZSA-N	0	0	371.372	1.809	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1C)CC2	ZINC000178516910	174192227	/nfs/dbraw/zinc/19/22/27/174192227.db2.gz	XCNASOVMFBXFJP-ZDUSSCGKSA-N	0	0	352.398	1.090	10	30		FDEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)c1nnc2n1CCCC2	ZINC000178527708	174193138	/nfs/dbraw/zinc/19/31/38/174193138.db2.gz	CODRFDUECLDKCQ-LBPRGKRZSA-N	0	0	352.398	1.610	10	30		FDEERN
N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c(F)c1	ZINC000180981148	174199548	/nfs/dbraw/zinc/19/95/48/174199548.db2.gz	SGHJNNNQIDVICW-LLVKDONJSA-N	0	0	367.381	1.529	10	30		FDEERN
CCc1nnc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3C#N)CCO2)[nH]1	ZINC000173561622	258303510	/nfs/dbraw/zinc/30/35/10/258303510.db2.gz	ZLYVYANNFIOMLE-DOMZBBRYSA-N	0	0	355.398	1.606	10	30		FDEERN
Cc1nnc([C@@H]2CN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)[nH]1	ZINC000173684674	258307428	/nfs/dbraw/zinc/30/74/28/258307428.db2.gz	RPXCLBGBUVFCBB-AWEZNQCLSA-N	0	0	360.805	1.650	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(C#N)cc3)C2=O)n(C)n1	ZINC000174310304	258323197	/nfs/dbraw/zinc/32/31/97/258323197.db2.gz	MMBCGGCANNUYSU-OAHLLOKOSA-N	0	0	352.398	1.917	10	30		FDEERN
C[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)N1CCOCC1	ZINC000328866069	259062768	/nfs/dbraw/zinc/06/27/68/259062768.db2.gz	NPZFAVYWPAIRJN-CJNGLKHVSA-N	0	0	374.466	1.119	10	30		FDEERN
C/C1=C\[C@@H]2[C@H](CC[C@@]3(CO3)[C@@H](O)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(O)C1=O)C2(C)C	ZINC000087493306	518478387	/nfs/dbraw/zinc/47/83/87/518478387.db2.gz	VEFQDSXSELSHMX-ZSZNEMJYSA-N	0	0	350.455	1.446	10	30		FDEERN
Cc1ccc(S(=O)(=O)O[C@H]2CO[C@@H]3[C@H]4OC(C)(C)O[C@H]4O[C@H]23)cc1	ZINC000017163745	518777927	/nfs/dbraw/zinc/77/79/27/518777927.db2.gz	DQNGKHMEUWAYEM-XPABHHOTSA-N	0	0	356.396	1.344	10	30		FDEERN
COC(=O)C1=C(N)Nc2ccccc2[C@]12C(=O)OC1=C2C(=O)CC(C)(C)C1	ZINC000020568333	522893248	/nfs/dbraw/zinc/89/32/48/522893248.db2.gz	ZMPINJJTKIARIC-HXUWFJFHSA-N	0	0	368.389	1.893	10	30		FDEERN
N#Cc1ccc(CSCC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1	ZINC000111083435	524198590	/nfs/dbraw/zinc/19/85/90/524198590.db2.gz	BVBJPBVUYKAYDU-KRWDZBQOSA-N	0	0	356.451	1.916	10	30		FDEERN
Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)[C@H](C)CC#N	ZINC000137000711	524224240	/nfs/dbraw/zinc/22/42/40/524224240.db2.gz	VZINACNKUNOKJP-LLVKDONJSA-N	0	0	366.377	1.955	10	30		FDEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1	ZINC000157468386	524279752	/nfs/dbraw/zinc/27/97/52/524279752.db2.gz	DVSDWDRAGDWMSA-LBPRGKRZSA-N	0	0	366.830	1.498	10	30		FDEERN
Cc1nnc([C@@H]2CN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CCO2)[nH]1	ZINC000173357597	524373484	/nfs/dbraw/zinc/37/34/84/524373484.db2.gz	HXFMHYPESWSHPA-YOEHRIQHSA-N	0	0	368.441	1.822	10	30		FDEERN
CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(CC#N)c2)ncn1	ZINC000173440594	524390736	/nfs/dbraw/zinc/39/07/36/524390736.db2.gz	NYLGYCOLIIHIHW-MRXNPFEDSA-N	0	0	350.426	1.983	10	30		FDEERN
N#CCCN(C(=O)CCC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1	ZINC000112652350	524525066	/nfs/dbraw/zinc/52/50/66/524525066.db2.gz	YRYUOWKZNNGIJR-HNNXBMFYSA-N	0	0	366.425	1.436	10	30		FDEERN
CC(C)(C)n1cc(CN2CCN(S(=O)(=O)CCCC#N)CC2)cn1	ZINC000113948988	524729903	/nfs/dbraw/zinc/72/99/03/524729903.db2.gz	KQEXJKXLNZBHOW-UHFFFAOYSA-N	0	0	353.492	1.389	10	30		FDEERN
N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)n1	ZINC000123610700	524790889	/nfs/dbraw/zinc/79/08/89/524790889.db2.gz	IKDPYRSGOGOKRY-MNOVXSKESA-N	0	0	357.336	1.973	10	30		FDEERN
C=CCNC(=O)NC(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161108873	525035860	/nfs/dbraw/zinc/03/58/60/525035860.db2.gz	UCZCORQDKXWDQM-UONOGXRCSA-N	0	0	371.359	1.825	10	30		FDEERN
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1	ZINC000177634018	525323232	/nfs/dbraw/zinc/32/32/32/525323232.db2.gz	XRZMWQLESZBYOO-AWEZNQCLSA-N	0	0	355.398	1.303	10	30		FDEERN
CNC(=O)[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)C(C)C	ZINC000178441195	525429056	/nfs/dbraw/zinc/42/90/56/525429056.db2.gz	VVESEBGWKJDWQX-QGZVFWFLSA-N	0	0	357.458	1.551	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3C)CCO2)c1	ZINC000178475940	525435817	/nfs/dbraw/zinc/43/58/17/525435817.db2.gz	LTKCKWAWSBVZQJ-INIZCTEOSA-N	0	0	367.409	1.238	10	30		FDEERN
Cc1ncc(CN2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)s1	ZINC000106090605	525572714	/nfs/dbraw/zinc/57/27/14/525572714.db2.gz	XEYZREXKTANSDS-KRWDZBQOSA-N	0	0	372.494	1.881	10	30		FDEERN
C=CCNC(=O)[C@H](C)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1	ZINC000106141427	525627549	/nfs/dbraw/zinc/62/75/49/525627549.db2.gz	NPXUYDUYXBGSBI-KRWDZBQOSA-N	0	0	353.470	1.681	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC2)n1	ZINC000106137154	525627966	/nfs/dbraw/zinc/62/79/66/525627966.db2.gz	SKFREKBKKSUUNJ-GJZGRUSLSA-N	0	0	362.478	1.319	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)n1	ZINC000106139516	525628180	/nfs/dbraw/zinc/62/81/80/525628180.db2.gz	YLFQNCNCIYMXSG-CQSZACIVSA-N	0	0	368.441	1.821	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(CC(=O)Nc3sccc3C#N)CCO2)n1	ZINC000106201309	525670234	/nfs/dbraw/zinc/67/02/34/525670234.db2.gz	UZKDWUJQRKJEJE-HNNXBMFYSA-N	0	0	359.455	1.773	10	30		FDEERN
C=C(Br)CN1CCN(C[C@H](O)COc2ccccc2)CC1	ZINC000155214719	525785229	/nfs/dbraw/zinc/78/52/29/525785229.db2.gz	FPWWIXMKHKRETB-HNNXBMFYSA-N	0	0	355.276	1.953	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3ccc(C#N)cc3)CCO2)n1	ZINC000171900598	526174637	/nfs/dbraw/zinc/17/46/37/526174637.db2.gz	GPPOVLFLWQPHHH-SFHVURJKSA-N	0	0	353.426	1.982	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@@](O)(c3nc(C4CC4)no3)C2)cc1	ZINC000275349658	526682293	/nfs/dbraw/zinc/68/22/93/526682293.db2.gz	TVXFOOOUTHDPMX-INIZCTEOSA-N	0	0	360.395	1.101	10	30		FDEERN
N#Cc1cccnc1-n1cc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cn1	ZINC000184578201	536167246	/nfs/dbraw/zinc/16/72/46/536167246.db2.gz	ZQBSULFBZAFVNH-MRXNPFEDSA-N	0	0	367.413	1.077	10	30		FDEERN
Cc1noc([C@@H]2COCCN2CCS(=O)(=O)c2cccc(C#N)c2)n1	ZINC000185075952	536197574	/nfs/dbraw/zinc/19/75/74/536197574.db2.gz	IBFFZXJUADRMNM-HNNXBMFYSA-N	0	0	362.411	1.097	10	30		FDEERN
CCOCCN1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C	ZINC000247562992	537134259	/nfs/dbraw/zinc/13/42/59/537134259.db2.gz	GGAWRKTZDPUXHW-QGZVFWFLSA-N	0	0	350.507	1.714	10	30		FDEERN
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000190088539	537137722	/nfs/dbraw/zinc/13/77/22/537137722.db2.gz	UWBRVONCMBAECB-ZFWWWQNUSA-N	0	0	356.426	1.591	10	30		FDEERN
COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000190739782	537184862	/nfs/dbraw/zinc/18/48/62/537184862.db2.gz	CBINELGEMSVXIX-GOSISDBHSA-N	0	0	353.382	1.494	10	30		FDEERN
CCn1cc([C@H]2CN(CC(=O)N(C)C3(C#N)CCCCC3)CCO2)cn1	ZINC000190810574	537187377	/nfs/dbraw/zinc/18/73/77/537187377.db2.gz	JKWGJXFLJZBMLV-QGZVFWFLSA-N	0	0	359.474	1.961	10	30		FDEERN
C=CC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1	ZINC000248667557	537203583	/nfs/dbraw/zinc/20/35/83/537203583.db2.gz	XCDGHZAWUHNZLL-ZNMIVQPWSA-N	0	0	353.488	1.746	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)Nc2ccccn2)CC1	ZINC000328653503	571136453	/nfs/dbraw/zinc/13/64/53/571136453.db2.gz	WWZBMWNGYOZNFK-CQSZACIVSA-N	0	0	355.446	1.986	10	30		FDEERN
N#CCc1ccc(S(=O)(=O)N2CC[C@@](O)(c3nc(C4CC4)no3)C2)cc1	ZINC000328610744	571324147	/nfs/dbraw/zinc/32/41/47/571324147.db2.gz	JBPWWWHOPOPQTB-KRWDZBQOSA-N	0	0	374.422	1.295	10	30		FDEERN
Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)C1(O)CCOCC1	ZINC000329962887	676665906	/nfs/dbraw/zinc/66/59/06/676665906.db2.gz	SYLGBIMJZJBGHE-KBPBESRZSA-N	0	0	355.410	1.702	10	30		FDEERN
CC(C)(C)n1cc(CN2CCN(C(=O)c3ccnc(C#N)c3)CC2)cn1	ZINC000193266399	178155200	/nfs/dbraw/zinc/15/52/00/178155200.db2.gz	ABSKUOKMUDYUDZ-UHFFFAOYSA-N	0	0	352.442	1.863	10	30		FDEERN
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000193748303	178178676	/nfs/dbraw/zinc/17/86/76/178178676.db2.gz	OKQPTPGXGUPGCH-UYAOXDASSA-N	0	0	363.417	1.823	10	30		FDEERN
CCOc1ccnc(N2CCN(c3nnc(CC)c(CC)c3C#N)CC2)n1	ZINC000125649973	173013499	/nfs/dbraw/zinc/01/34/99/173013499.db2.gz	DTRKJCKFYJOWFG-UHFFFAOYSA-N	0	0	367.457	1.988	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000127443791	173077222	/nfs/dbraw/zinc/07/72/22/173077222.db2.gz	WBJSIEKTRWDMDE-RHSMWYFYSA-N	0	0	355.442	1.916	10	30		FDEERN
CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000132586296	173236928	/nfs/dbraw/zinc/23/69/28/173236928.db2.gz	KRDQVCZEOCQRJL-LBPRGKRZSA-N	0	0	363.418	1.877	10	30		FDEERN
COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000155308665	173534322	/nfs/dbraw/zinc/53/43/22/173534322.db2.gz	HGFUEQLKUDLFNN-TZMCWYRMSA-N	0	0	355.398	1.715	10	30		FDEERN
Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000176011358	174043886	/nfs/dbraw/zinc/04/38/86/174043886.db2.gz	ZTULORDXCCMHEO-OAHLLOKOSA-N	0	0	355.373	1.832	10	30		FDEERN
N#Cc1ccsc1N1CC[C@@H](N2CCCN(c3cccnn3)CC2)C1=O	ZINC000177051648	174104090	/nfs/dbraw/zinc/10/40/90/174104090.db2.gz	LUWULFZXBCJUKT-OAHLLOKOSA-N	0	0	368.466	1.727	10	30		FDEERN
Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3)C2)no1	ZINC000177588359	174142757	/nfs/dbraw/zinc/14/27/57/174142757.db2.gz	LTNFYVPIYBDMSC-CQSZACIVSA-N	0	0	353.382	1.670	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1C)CC2	ZINC000177639375	174147044	/nfs/dbraw/zinc/14/70/44/174147044.db2.gz	QMSFBTRRLYRXHC-ZDUSSCGKSA-N	0	0	352.398	1.090	10	30		FDEERN
Cc1cccc(NC(=O)C(=O)N2CCC(Nc3cccnn3)CC2)c1C#N	ZINC000177965900	174165832	/nfs/dbraw/zinc/16/58/32/174165832.db2.gz	PNYLARGVWNANMP-UHFFFAOYSA-N	0	0	364.409	1.698	10	30		FDEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000178486137	174191040	/nfs/dbraw/zinc/19/10/40/174191040.db2.gz	TVQRYEQIZBFESY-AWEZNQCLSA-N	0	0	366.425	1.651	10	30		FDEERN
Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3C)C2)no1	ZINC000178516347	174192613	/nfs/dbraw/zinc/19/26/13/174192613.db2.gz	VDEYDYWKQVOHTG-CQSZACIVSA-N	0	0	367.409	1.978	10	30		FDEERN
Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CCO2)[nH]1	ZINC000173734803	258308730	/nfs/dbraw/zinc/30/87/30/258308730.db2.gz	SSRYNRFXQWQNPC-ZDUSSCGKSA-N	0	0	367.818	1.400	10	30		FDEERN
C[C@H](CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)N1CCCCC1=O	ZINC000193507484	258393594	/nfs/dbraw/zinc/39/35/94/258393594.db2.gz	PROOKXVUSRNMSQ-CABCVRRESA-N	0	0	370.457	1.176	10	30		FDEERN
C[C@H](CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)N1CCCCC1=O	ZINC000193507472	258393617	/nfs/dbraw/zinc/39/36/17/258393617.db2.gz	PROOKXVUSRNMSQ-HUUCEWRRSA-N	0	0	370.457	1.176	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)CCNc2cc(C#N)nc3ccccc32)C[C@@H](C)O1	ZINC000301378250	259027224	/nfs/dbraw/zinc/02/72/24/259027224.db2.gz	YOJOSKHUYJBNEL-ZIAGYGMSSA-N	0	0	374.466	1.957	10	30		FDEERN
CCc1nnc(N2CCCN(Cc3noc(C)n3)CC2)c(C#N)c1CC	ZINC000301608720	259030796	/nfs/dbraw/zinc/03/07/96/259030796.db2.gz	AEONHJFHIZUKNW-UHFFFAOYSA-N	0	0	355.446	1.877	10	30		FDEERN
Cc1ccc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)nc1C#N	ZINC000302590830	259043899	/nfs/dbraw/zinc/04/38/99/259043899.db2.gz	ADXRARZRGUJIDR-QGZVFWFLSA-N	0	0	352.438	1.824	10	30		FDEERN
C=CCOC(=O)C1=C(C)N(C)C(=O)[C@]12c1ccccc1-c1oc(N)nc12	ZINC000020569027	518969150	/nfs/dbraw/zinc/96/91/50/518969150.db2.gz	FOPRHAQKEMTABW-LJQANCHMSA-N	0	0	351.362	1.999	10	30		FDEERN
Cn1c2nnc(COC(=O)C3(C#N)CCCC3)n2c2ccccc2c1=O	ZINC000024753394	519012398	/nfs/dbraw/zinc/01/23/98/519012398.db2.gz	RIYIKRPCNIQKIL-UHFFFAOYSA-N	0	0	351.366	1.708	10	30		FDEERN
C=CCn1c(N)c(NC(=O)[C@H](C)c2ccccc2)c(=O)n(CC=C)c1=O	ZINC000039125267	519194189	/nfs/dbraw/zinc/19/41/89/519194189.db2.gz	KGQTVNCOWNLBJL-CYBMUJFWSA-N	0	0	354.410	1.706	10	30		FDEERN
CC1(C)CC2=C(C(=O)C1)[C@@]1(c3ccccc3-c3oc(N)nc31)C(=O)N2CO	ZINC000020568325	520290542	/nfs/dbraw/zinc/29/05/42/520290542.db2.gz	ZHDVDABRPLVTOW-HXUWFJFHSA-N	0	0	365.389	1.959	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)ccc1F	ZINC000046220205	522250950	/nfs/dbraw/zinc/25/09/50/522250950.db2.gz	DCRPNCGBBPKKLX-RISCZKNCSA-N	0	0	356.419	1.587	10	30		FDEERN
C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C)CC1	ZINC000076993876	523231302	/nfs/dbraw/zinc/23/13/02/523231302.db2.gz	YSTDUUBKWCOPHZ-RTBURBONSA-N	0	0	353.466	1.382	10	30		FDEERN
CCCC(=O)N[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000080976551	523924709	/nfs/dbraw/zinc/92/47/09/523924709.db2.gz	FITNANMKRZMXHR-ZDUSSCGKSA-N	0	0	350.444	1.091	10	30		FDEERN
C[C@@H](C(=O)OC(C)(C)C)N(C)CCS(=O)(=O)c1cccc(C#N)c1	ZINC000156820403	524156816	/nfs/dbraw/zinc/15/68/16/524156816.db2.gz	FWXLVWHNHPDGLO-ZDUSSCGKSA-N	0	0	352.456	1.994	10	30		FDEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000083741750	524275901	/nfs/dbraw/zinc/27/59/01/524275901.db2.gz	INLOTLIWCPQTTC-OAHLLOKOSA-N	0	0	366.429	1.220	10	30		FDEERN
CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccccc1C#N	ZINC000157727731	524325667	/nfs/dbraw/zinc/32/56/67/524325667.db2.gz	WGZRIHQVGWPMAD-OAHLLOKOSA-N	0	0	357.439	1.638	10	30		FDEERN
Cc1nnc([C@H]2CN(C(=O)CSCc3ccc(C#N)cc3)CCO2)[nH]1	ZINC000173526934	524405383	/nfs/dbraw/zinc/40/53/83/524405383.db2.gz	PKBGOINAHOQRIJ-OAHLLOKOSA-N	0	0	357.439	1.818	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CCO2)c1	ZINC000112147758	524416418	/nfs/dbraw/zinc/41/64/18/524416418.db2.gz	XVGNTZKTRYKYDR-OAHLLOKOSA-N	0	0	371.372	1.068	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1	ZINC000150787235	524485811	/nfs/dbraw/zinc/48/58/11/524485811.db2.gz	PLEJGFLQDDOIBW-PBHICJAKSA-N	0	0	372.469	1.386	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)NCc3cc(C#N)ccc3F)CCO2)c1	ZINC000174026977	524506128	/nfs/dbraw/zinc/50/61/28/524506128.db2.gz	BBEGADUDFMHKKW-INIZCTEOSA-N	0	0	357.389	1.813	10	30		FDEERN
CN(C(=O)COc1ccccc1C#N)[C@@H]1CCCN(c2cccnn2)C1	ZINC000122479511	524545689	/nfs/dbraw/zinc/54/56/89/524545689.db2.gz	RIYRNDLVLYSAEU-MRXNPFEDSA-N	0	0	351.410	1.854	10	30		FDEERN
C=CCCO[C@@H](C)C(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1	ZINC000114147704	524747647	/nfs/dbraw/zinc/74/76/47/524747647.db2.gz	UZYPDZCOHSJVHE-ZDUSSCGKSA-N	0	0	358.446	1.302	10	30		FDEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1	ZINC000175821355	525015500	/nfs/dbraw/zinc/01/55/00/525015500.db2.gz	STDUIWQZRUXEGR-CQSZACIVSA-N	0	0	361.427	1.007	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1CC	ZINC000116898903	525248179	/nfs/dbraw/zinc/24/81/79/525248179.db2.gz	FSBXNHCQVMAYLK-HNNXBMFYSA-N	0	0	352.460	1.075	10	30		FDEERN
C[C@H](C#N)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1	ZINC000125918290	525252140	/nfs/dbraw/zinc/25/21/40/525252140.db2.gz	KCGWTTJTDVNYEU-SECBINFHSA-N	0	0	360.233	1.146	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2CO)ccc1F	ZINC000179248139	525547838	/nfs/dbraw/zinc/54/78/38/525547838.db2.gz	BMHCROZEMILZPZ-DZGCQCFKSA-N	0	0	370.446	1.571	10	30		FDEERN
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(c2cccnn2)CC1	ZINC000106069929	525558609	/nfs/dbraw/zinc/55/86/09/525558609.db2.gz	QEFHCNMYLCOMTE-UHFFFAOYSA-N	0	0	350.426	1.889	10	30		FDEERN
C[C@@](C#N)(NC(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1)C1CC1	ZINC000106097494	525577552	/nfs/dbraw/zinc/57/75/52/525577552.db2.gz	BGXJTNDKTUSFJP-QUCCMNQESA-N	0	0	356.470	1.146	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(CC(=O)Nc3cccc(C#N)c3)CCO2)n1	ZINC000106203129	525668831	/nfs/dbraw/zinc/66/88/31/525668831.db2.gz	RYTYJGZRNFSWNS-SFHVURJKSA-N	0	0	353.426	1.711	10	30		FDEERN
C=CCNC(=O)CNC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1	ZINC000180522898	525716332	/nfs/dbraw/zinc/71/63/32/525716332.db2.gz	LPWCFBDMMJAQFB-KBPBESRZSA-N	0	0	366.487	1.111	10	30		FDEERN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(OCC#N)cc1	ZINC000155332638	525829500	/nfs/dbraw/zinc/82/95/00/525829500.db2.gz	LGYSBWITGNLHNR-HNNXBMFYSA-N	0	0	355.398	1.521	10	30		FDEERN
CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)CC2	ZINC000181728776	525909411	/nfs/dbraw/zinc/90/94/11/525909411.db2.gz	RRFUXLQJMDHMRV-GFCCVEGCSA-N	0	0	363.418	1.706	10	30		FDEERN
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000181894447	525972094	/nfs/dbraw/zinc/97/20/94/525972094.db2.gz	NFJNGLWGEPIKEX-LSDHHAIUSA-N	0	0	356.426	1.613	10	30		FDEERN
CC(C)c1nnc2n1C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)CC2	ZINC000171860701	526154198	/nfs/dbraw/zinc/15/41/98/526154198.db2.gz	IUCZHINVHCOSOF-OAHLLOKOSA-N	0	0	353.426	1.978	10	30		FDEERN
O=C(NCCNC(=O)C1N=CC=CC1=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1	ZINC000171882872	526164306	/nfs/dbraw/zinc/16/43/06/526164306.db2.gz	VFKWOPJGRLVSAR-QECOICOSSA-N	0	0	361.348	1.711	10	30		FDEERN
Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)n1	ZINC000186347938	536232788	/nfs/dbraw/zinc/23/27/88/536232788.db2.gz	UTXMLJBGMXHFIJ-LBPRGKRZSA-N	0	0	368.802	1.665	10	30		FDEERN
CC[C@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1	ZINC000187013403	536252593	/nfs/dbraw/zinc/25/25/93/536252593.db2.gz	XKXFRGKJXQQMMR-MRVPVSSYSA-N	0	0	356.347	1.561	10	30		FDEERN
C[C@H](C#N)CNC(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000190152442	537147174	/nfs/dbraw/zinc/14/71/74/537147174.db2.gz	HNFSLCGSEYSTHI-CABCVRRESA-N	0	0	352.479	1.984	10	30		FDEERN
CCOCCN1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000247733343	537147146	/nfs/dbraw/zinc/14/71/46/537147146.db2.gz	MLDXUZCCWYLYCM-LPHOPBHVSA-N	0	0	356.470	1.706	10	30		FDEERN
CCOCCN1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1C	ZINC000247780560	537150364	/nfs/dbraw/zinc/15/03/64/537150364.db2.gz	RWAUHLVZQVXEPL-DLBZAZTESA-N	0	0	350.507	1.760	10	30		FDEERN
C=CCNC(=O)c1ccc(N[C@H]2CCN(c3cc(C)nn3C)C2=O)nc1	ZINC000266305382	537197288	/nfs/dbraw/zinc/19/72/88/537197288.db2.gz	ZGPDWEPEBWJDSX-AWEZNQCLSA-N	0	0	354.414	1.257	10	30		FDEERN
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@@H](NC(C)=O)C1	ZINC000249680453	537240440	/nfs/dbraw/zinc/24/04/40/537240440.db2.gz	AUYOLSHACDJZQA-NVXWUHKLSA-N	0	0	372.469	1.931	10	30		FDEERN
N#C[C@@H]1CCC[C@H]1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O	ZINC000467077354	538604355	/nfs/dbraw/zinc/60/43/55/538604355.db2.gz	ADNAQVCSPSLLGK-SWLSCSKDSA-N	0	0	361.423	1.284	10	30		FDEERN
Cn1ccnc1[C@@H]1[C@@H](CNc2nccnc2C#N)CCC(=O)N1C1CC1	ZINC000596560911	552689037	/nfs/dbraw/zinc/68/90/37/552689037.db2.gz	AONAPJMZHNAPTE-WBMJQRKESA-N	0	0	351.414	1.636	10	30		FDEERN
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1c1ncc[nH]1	ZINC000328633371	571129456	/nfs/dbraw/zinc/12/94/56/571129456.db2.gz	SOMKTGURARGPAL-CQSZACIVSA-N	0	0	365.846	1.612	10	30		FDEERN
CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](C)C#N)c1	ZINC000160604367	672003384	/nfs/dbraw/zinc/00/33/84/672003384.db2.gz	UNRHBLJOGMARIZ-MRVPVSSYSA-N	0	0	361.217	1.816	10	30		FDEERN
C[C@@H]1COC[C@@H](C)N1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000245914498	672472280	/nfs/dbraw/zinc/47/22/80/672472280.db2.gz	WDFBQJKZXMVLCX-BZUAXINKSA-N	0	0	362.499	1.566	10	30		FDEERN
C[C@H](Cc1c(F)cccc1F)NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1	ZINC000329166953	676623310	/nfs/dbraw/zinc/62/33/10/676623310.db2.gz	IHYLWMYHXAZOHO-BFQNTYOBSA-N	0	0	372.437	1.971	10	30		FDEERN
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)n1	ZINC000190157139	177983096	/nfs/dbraw/zinc/98/30/96/177983096.db2.gz	OGFZDYKBAPOJJJ-AWEZNQCLSA-N	0	0	369.429	1.925	10	30		FDEERN
CC(C)C[C@H](C=O)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C	ZINC000013493521	220069587	/nfs/dbraw/zinc/06/95/87/220069587.db2.gz	WSJWUIDLGZAXID-ZBFHGGJFSA-N	0	0	372.462	1.858	10	30		FDEERN
C=CCn1cnc2c1c(=O)n(CCOC)c(=O)n2-c1ccc(F)cc1F	ZINC000034692654	220758255	/nfs/dbraw/zinc/75/82/55/220758255.db2.gz	YAVGAWRGDXPVQP-UHFFFAOYSA-N	0	0	362.336	1.460	10	30		FDEERN
CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000188575297	177870304	/nfs/dbraw/zinc/87/03/04/177870304.db2.gz	LKIFZWSTRIOHKW-MRXNPFEDSA-N	0	0	364.409	1.414	10	30		FDEERN
Cc1cnn(CCNC(=O)N2CCCN(c3ccccc3C#N)CC2)c1	ZINC000172291055	258272523	/nfs/dbraw/zinc/27/25/23/258272523.db2.gz	NFJGXDJJSNKHRM-UHFFFAOYSA-N	0	0	352.442	1.985	10	30		FDEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000083741635	172207242	/nfs/dbraw/zinc/20/72/42/172207242.db2.gz	GTWVIHZNSWZKME-HNNXBMFYSA-N	0	0	366.429	1.220	10	30		FDEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(C#N)ccc1C	ZINC000088816901	172238109	/nfs/dbraw/zinc/23/81/09/172238109.db2.gz	OVORIBJRCJYNAT-ZDUSSCGKSA-N	0	0	352.398	1.610	10	30		FDEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000177056559	174103775	/nfs/dbraw/zinc/10/37/75/174103775.db2.gz	PQTJDZFEKRLEQR-IBGZPJMESA-N	0	0	367.453	1.714	10	30		FDEERN
CCOCCN1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1C	ZINC000177054716	174104418	/nfs/dbraw/zinc/10/44/18/174104418.db2.gz	LOYTVPPCCHUWBU-GOEBONIOSA-N	0	0	362.499	1.768	10	30		FDEERN
C[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1N1CCOCC1	ZINC000177233119	174115823	/nfs/dbraw/zinc/11/58/23/174115823.db2.gz	GFFMAIMUUISQQV-GUYCJALGSA-N	0	0	362.861	1.803	10	30		FDEERN
C[C@@H](N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCCC2	ZINC000173624567	258305418	/nfs/dbraw/zinc/30/54/18/258305418.db2.gz	JXBPADRFPFBNIY-CZUORRHYSA-N	0	0	350.426	1.942	10	30		FDEERN
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)ccc1Cl	ZINC000174009858	258317239	/nfs/dbraw/zinc/31/72/39/258317239.db2.gz	QMBSGIUHDOCLAZ-CQSZACIVSA-N	0	0	362.817	1.083	10	30		FDEERN
Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1C#N	ZINC000174947136	258323885	/nfs/dbraw/zinc/32/38/85/258323885.db2.gz	RWSYUXIZEBPRBP-ZDUSSCGKSA-N	0	0	366.425	1.651	10	30		FDEERN
CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3cccc(C)c3C#N)CCO2)cn1	ZINC000190516130	258389042	/nfs/dbraw/zinc/38/90/42/258389042.db2.gz	XSLURQKUAASHCR-KRWDZBQOSA-N	0	0	367.409	1.622	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)CCNc2cc(C#N)nc3ccccc32)C[C@H](C)O1	ZINC000301378246	259026479	/nfs/dbraw/zinc/02/64/79/259026479.db2.gz	YOJOSKHUYJBNEL-KBPBESRZSA-N	0	0	374.466	1.957	10	30		FDEERN
Cn1c(NC[C@H]2C[C@@]23CCCc2ccccc23)c(C#N)c(=O)n(C)c1=O	ZINC000301659602	259031375	/nfs/dbraw/zinc/03/13/75/259031375.db2.gz	TVLJGUVKUOQCPR-VLIAUNLRSA-N	0	0	350.422	1.662	10	30		FDEERN
Cn1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c([C@@H]2CCOC2)n1	ZINC000330336118	259140287	/nfs/dbraw/zinc/14/02/87/259140287.db2.gz	SDGMTMRTOABLBN-CQSZACIVSA-N	0	0	352.394	1.699	10	30		FDEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000330341523	259140585	/nfs/dbraw/zinc/14/05/85/259140585.db2.gz	ZIRBNLMAEMLGEB-SJLPKXTDSA-N	0	0	352.394	1.659	10	30		FDEERN
Cc1ccc2[nH]c3c(C#N)c(=O)c4nc(N5CCCC5)ncc4n3c(=O)c2c1	ZINC000003187251	518260127	/nfs/dbraw/zinc/26/01/27/518260127.db2.gz	ROSNMXWARZGVFA-UHFFFAOYSA-N	0	0	372.388	1.865	10	30		FDEERN
Cc1ccc(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1[N+](=O)[O-]	ZINC000009137344	518497376	/nfs/dbraw/zinc/49/73/76/518497376.db2.gz	SSTMLYJOBNMNNL-NTUHNPAUSA-N	0	0	354.300	1.717	10	30		FDEERN
N#CCOc1ccc(CNC(=O)NC2CCN(c3ncccn3)CC2)cc1	ZINC000069316546	521855886	/nfs/dbraw/zinc/85/58/86/521855886.db2.gz	QZQNGUOKGJFSHP-UHFFFAOYSA-N	0	0	366.425	1.847	10	30		FDEERN
N#Cc1cccc(C(=O)Nc2ccc([C@H]3OCC(=O)N[C@@H]3CO)cc2)c1	ZINC000072321077	522213751	/nfs/dbraw/zinc/21/37/51/522213751.db2.gz	PINXBDHHTGBMAH-SJLPKXTDSA-N	0	0	351.362	1.359	10	30		FDEERN
O=C(CN1CCN(c2ccccn2)CC1)Nc1n[nH]c(C(F)(F)F)n1	ZINC000076304770	523074194	/nfs/dbraw/zinc/07/41/94/523074194.db2.gz	IRDNHKMNFMDDGL-UHFFFAOYSA-N	0	0	355.324	1.629	10	30		FDEERN
C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCCn3nc(C)nc32)c1	ZINC000083755040	524277416	/nfs/dbraw/zinc/27/74/16/524277416.db2.gz	VGAJTWSKJULFBL-HNNXBMFYSA-N	0	0	355.398	1.741	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1	ZINC000111731521	524330880	/nfs/dbraw/zinc/33/08/80/524330880.db2.gz	PGGXKMQEIJKQTG-KRWDZBQOSA-N	0	0	369.425	1.732	10	30		FDEERN
Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000173379745	524377224	/nfs/dbraw/zinc/37/72/24/524377224.db2.gz	HMRKBKKKKIZQDD-UHFFFAOYSA-N	0	0	370.461	1.497	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1	ZINC000112147902	524415869	/nfs/dbraw/zinc/41/58/69/524415869.db2.gz	RHGAZZTYPMTFBH-QGZVFWFLSA-N	0	0	352.394	1.039	10	30		FDEERN
N#CCOc1cccc(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1	ZINC000089829446	524534326	/nfs/dbraw/zinc/53/43/26/524534326.db2.gz	YAHXMZXDPRTWJT-MRXNPFEDSA-N	0	0	351.410	1.707	10	30		FDEERN
C=CCSCCNC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1	ZINC000174421253	524572643	/nfs/dbraw/zinc/57/26/43/524572643.db2.gz	JXIQEIUWGMZIQM-ZDUSSCGKSA-N	0	0	350.492	1.706	10	30		FDEERN
C=CCSCCNC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1	ZINC000174421235	524573188	/nfs/dbraw/zinc/57/31/88/524573188.db2.gz	JXIQEIUWGMZIQM-CYBMUJFWSA-N	0	0	350.492	1.706	10	30		FDEERN
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(CC#Cc3ccc(F)cc3)CC2)C1	ZINC000159932610	524770687	/nfs/dbraw/zinc/77/06/87/524770687.db2.gz	OJTYVGWLCNDQBZ-NRFANRHFSA-N	0	0	359.489	1.904	10	30		FDEERN
Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3C)CCO2)c1	ZINC000114740752	524870777	/nfs/dbraw/zinc/87/07/77/524870777.db2.gz	GBBWVEPBQMLSLD-INIZCTEOSA-N	0	0	360.439	1.461	10	30		FDEERN
Cn1cc([C@H]2[C@@H](C(=O)Nc3ccc(F)c(C#N)c3)CCC(=O)N2C)cn1	ZINC000115214980	524953561	/nfs/dbraw/zinc/95/35/61/524953561.db2.gz	XJTMAFKDFBYRQQ-YOEHRIQHSA-N	0	0	355.373	1.979	10	30		FDEERN
Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)C2)cn1	ZINC000116587876	525179769	/nfs/dbraw/zinc/17/97/69/525179769.db2.gz	BNIPHCDXYHVAEL-LLVKDONJSA-N	0	0	357.801	1.900	10	30		FDEERN
N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H](O)CN1CCOCC1	ZINC000154155255	525441977	/nfs/dbraw/zinc/44/19/77/525441977.db2.gz	XNTDENDDOCFAPG-QGZVFWFLSA-N	0	0	365.433	1.648	10	30		FDEERN
C=CCOc1cc(OC)ccc1C(=O)N1CCO[C@@H](Cn2cccn2)C1	ZINC000127653131	525446922	/nfs/dbraw/zinc/44/69/22/525446922.db2.gz	SWJBDBCDHPEFRY-MRXNPFEDSA-N	0	0	357.410	1.998	10	30		FDEERN
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1	ZINC000105283601	525489300	/nfs/dbraw/zinc/48/93/00/525489300.db2.gz	FIXWDVKWOORIQT-SFHVURJKSA-N	0	0	372.469	1.953	10	30		FDEERN
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1nnc2n1CCCC2	ZINC000165561789	525555359	/nfs/dbraw/zinc/55/53/59/525555359.db2.gz	MWVFWNDJWIRFBK-SNVBAGLBSA-N	0	0	372.816	1.955	10	30		FDEERN
Cc1cnn(C[C@H]2CN(CCS(=O)(=O)c3cccc(C#N)c3)CCO2)c1	ZINC000128640286	525564755	/nfs/dbraw/zinc/56/47/55/525564755.db2.gz	AOCLNHCMVPSOHL-QGZVFWFLSA-N	0	0	374.466	1.238	10	30		FDEERN
CN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000106078895	525568702	/nfs/dbraw/zinc/56/87/02/525568702.db2.gz	QIVBCCIIQTYOED-QGZVFWFLSA-N	0	0	350.426	1.888	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000106139955	525627919	/nfs/dbraw/zinc/62/79/19/525627919.db2.gz	AATJSBCUYMDSNT-AWEZNQCLSA-N	0	0	368.441	1.821	10	30		FDEERN
CCOc1cc(C)nc(N2CCN(CC(=O)N(CC)CCC#N)CC2)n1	ZINC000106153452	525636256	/nfs/dbraw/zinc/63/62/56/525636256.db2.gz	PJCNAZSDXXVOLC-UHFFFAOYSA-N	0	0	360.462	1.068	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000119542805	525781638	/nfs/dbraw/zinc/78/16/38/525781638.db2.gz	JCKDZYVGVPNPHY-AWEZNQCLSA-N	0	0	352.398	1.343	10	30		FDEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000171119802	525857423	/nfs/dbraw/zinc/85/74/23/525857423.db2.gz	JNAWWXYKJLNQPP-MRXNPFEDSA-N	0	0	356.426	1.195	10	30		FDEERN
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000171368113	525966910	/nfs/dbraw/zinc/96/69/10/525966910.db2.gz	RDHJOKPPMIGRHG-NWDGAFQWSA-N	0	0	370.365	1.264	10	30		FDEERN
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)CC#N	ZINC000120850338	526201569	/nfs/dbraw/zinc/20/15/69/526201569.db2.gz	VXRJIRVRFDPEHD-CYBMUJFWSA-N	0	0	352.778	1.985	10	30		FDEERN
Cn1cnnc1Sc1ccc(/C=N\N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000033409940	527530526	/nfs/dbraw/zinc/53/05/26/527530526.db2.gz	IDHNPVCYIRSAKY-YVLHZVERSA-N	0	0	361.431	1.456	10	30		FDEERN
C[C@@H]1COC[C@H](C)N1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000183180906	535937365	/nfs/dbraw/zinc/93/73/65/535937365.db2.gz	XQRUJQRSOFJUCM-FCEWJHQRSA-N	0	0	374.460	1.644	10	30		FDEERN
CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C12CCOCC2	ZINC000185150343	536200340	/nfs/dbraw/zinc/20/03/40/536200340.db2.gz	WZWAZFNKBKTZKN-HZPDHXFCSA-N	0	0	368.430	1.950	10	30		FDEERN
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1C	ZINC000185796028	536217720	/nfs/dbraw/zinc/21/77/20/536217720.db2.gz	FGGYWCFZIOCURL-OAHLLOKOSA-N	0	0	360.439	1.925	10	30		FDEERN
C=CCc1ccc(OCC(=O)N2CC(NC(=O)C3CCC3)C2)c(OC)c1	ZINC000188483328	536294301	/nfs/dbraw/zinc/29/43/01/536294301.db2.gz	ZKCKZIDNXNZCHU-UHFFFAOYSA-N	0	0	358.438	1.930	10	30		FDEERN
Cc1cccc(S(=O)(=O)N2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c1C#N	ZINC000262994437	536956572	/nfs/dbraw/zinc/95/65/72/536956572.db2.gz	OWAFNNHUGNWFHH-AWEZNQCLSA-N	0	0	365.455	1.426	10	30		FDEERN
C[C@H]1C(=O)NCCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000188855886	536961042	/nfs/dbraw/zinc/96/10/42/536961042.db2.gz	VMQGDCVLTZMXQL-HNNXBMFYSA-N	0	0	356.426	1.450	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)CCO2)c1	ZINC000247770958	537149205	/nfs/dbraw/zinc/14/92/05/537149205.db2.gz	PCHHFIMBWPRGCW-MJGOQNOKSA-N	0	0	356.426	1.204	10	30		FDEERN
C[C@H](O)C[N@@H+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000247881695	537156228	/nfs/dbraw/zinc/15/62/28/537156228.db2.gz	ZKMKOBFGNAGDIL-KGLIPLIRSA-N	0	0	364.877	1.927	10	30		FDEERN
CC(=O)NC1CN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1	ZINC000191347599	537203749	/nfs/dbraw/zinc/20/37/49/537203749.db2.gz	MENXKMVYGWDFDP-UHFFFAOYSA-N	0	0	361.401	1.372	10	30		FDEERN
C#CCNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1	ZINC000193981283	537257654	/nfs/dbraw/zinc/25/76/54/537257654.db2.gz	VGDCHXWZSJSLSE-OAHLLOKOSA-N	0	0	360.460	1.613	10	30		FDEERN
N#CC1(NS(=O)(=O)c2ccc(Br)cc2)CCC(O)CC1	ZINC000584644073	551525104	/nfs/dbraw/zinc/52/51/04/551525104.db2.gz	ZZZJLGSPEBTMPU-UHFFFAOYSA-N	0	0	359.245	1.925	10	30		FDEERN
Cn1ccnc(N2CCC[C@@H](NC(=O)c3ccn4ccnc4c3)C2)c1=O	ZINC000328646903	571326038	/nfs/dbraw/zinc/32/60/38/571326038.db2.gz	SWMWZJIAASLJQC-CQSZACIVSA-N	0	0	352.398	1.402	10	30		FDEERN
C#Cc1cccc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)c1	ZINC000120400409	671688960	/nfs/dbraw/zinc/68/89/60/671688960.db2.gz	GZINIAOGKNCTPT-GFCCVEGCSA-N	0	0	353.403	1.734	10	30		FDEERN
C[C@H](C#N)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br	ZINC000125714040	671750985	/nfs/dbraw/zinc/75/09/85/671750985.db2.gz	IJOYBBFCKQNVMH-MRVPVSSYSA-N	0	0	372.244	1.532	10	30		FDEERN
C=C(Br)COC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1	ZINC000172099544	672063763	/nfs/dbraw/zinc/06/37/63/672063763.db2.gz	PKPCUQLYTWTWRW-AAEUAGOBSA-N	0	0	356.220	1.781	10	30		FDEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cccc(C)c2C#N)C1	ZINC000189185703	177913693	/nfs/dbraw/zinc/91/36/93/177913693.db2.gz	ABRFDHACGAPEMP-GXTWGEPZSA-N	0	0	362.411	1.709	10	30		FDEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000189192010	177913813	/nfs/dbraw/zinc/91/38/13/177913813.db2.gz	AUJHAGPTANFBGQ-SMDDNHRTSA-N	0	0	366.374	1.540	10	30		FDEERN
CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3)CCO2)cn1	ZINC000190534755	178007868	/nfs/dbraw/zinc/00/78/68/178007868.db2.gz	QNIWBAWDRNZJLC-INIZCTEOSA-N	0	0	353.382	1.313	10	30		FDEERN
CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3C)CCO2)cn1	ZINC000190530957	178008351	/nfs/dbraw/zinc/00/83/51/178008351.db2.gz	FZTWDXGUAQJRLO-KRWDZBQOSA-N	0	0	367.409	1.622	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2COc3ccccc32)cc1	ZINC000194879468	178229460	/nfs/dbraw/zinc/22/94/60/178229460.db2.gz	ZIPNGMXDTVPSDC-INIZCTEOSA-N	0	0	356.403	1.723	10	30		FDEERN
CCOC(=O)c1cc([C@](O)(C(=O)OC)C(F)(F)F)c(/N=C/N(C)C)o1	ZINC000018120044	220224739	/nfs/dbraw/zinc/22/47/39/220224739.db2.gz	REDYANPFIXYPAJ-VXSOZLBZSA-N	0	0	366.292	1.601	10	30		FDEERN
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]34O[C@@H]4C[C@]2(C)[C@@]1(O)C(=O)CO	ZINC000022058364	220375612	/nfs/dbraw/zinc/37/56/12/220375612.db2.gz	GBDXNHBVYAMODG-ZPHFWAQNSA-N	0	0	372.461	1.964	10	30	in-vitro	FDEERN
N#Cc1ccc(S(=O)(=O)NCCc2nnc(Cc3ccccc3)[nH]2)cc1	ZINC000064969904	221159584	/nfs/dbraw/zinc/15/95/84/221159584.db2.gz	RYIFSYJTVWSNNH-UHFFFAOYSA-N	0	0	367.434	1.788	10	30		FDEERN
N#Cc1cccc(N2CCC[C@@]3(C2)CN(c2ncc(F)cn2)CCO3)n1	ZINC000096074793	132218169	/nfs/dbraw/zinc/21/81/69/132218169.db2.gz	STOKIZAAGDKCQR-GOSISDBHSA-N	0	0	354.389	1.758	10	30		FDEERN
CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccc(C#N)cc2)ncn1	ZINC000173411688	258298344	/nfs/dbraw/zinc/29/83/44/258298344.db2.gz	YXDOEDVGFDCDGJ-INIZCTEOSA-N	0	0	350.426	1.718	10	30		FDEERN
N#Cc1cccnc1N1CCN(C[C@H](O)COCc2ccccc2)CC1	ZINC000073125345	172058160	/nfs/dbraw/zinc/05/81/60/172058160.db2.gz	UWAGPTJXODAKCD-IBGZPJMESA-N	0	0	352.438	1.653	10	30		FDEERN
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)n1	ZINC000091249342	172281997	/nfs/dbraw/zinc/28/19/97/172281997.db2.gz	JSMROIDBXOCALS-KBXCAEBGSA-N	0	0	359.430	1.428	10	30		FDEERN
N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@H](c3nccs3)C2)cc1	ZINC000111620540	172554626	/nfs/dbraw/zinc/55/46/26/172554626.db2.gz	CKYQVNCEGSBYCR-AWEZNQCLSA-N	0	0	356.407	1.345	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CCO2)c1	ZINC000112147756	172568888	/nfs/dbraw/zinc/56/88/88/172568888.db2.gz	XVGNTZKTRYKYDR-HNNXBMFYSA-N	0	0	371.372	1.068	10	30		FDEERN
Cc1nn(C)c(C)c1CN1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000127446468	173077168	/nfs/dbraw/zinc/07/71/68/173077168.db2.gz	JMDRBBXBLONRDY-HXUWFJFHSA-N	0	0	353.470	1.760	10	30		FDEERN
CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000128460182	173110453	/nfs/dbraw/zinc/11/04/53/173110453.db2.gz	WKVWVWFKIQZOAO-QGZVFWFLSA-N	0	0	371.466	1.779	10	30		FDEERN
COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000136828887	173365417	/nfs/dbraw/zinc/36/54/17/173365417.db2.gz	HFBGGQNXRIVMPR-CQSZACIVSA-N	0	0	369.425	1.792	10	30		FDEERN
Cc1nccn1C[C@@H]1CCCN1C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000177204560	174114182	/nfs/dbraw/zinc/11/41/82/174114182.db2.gz	RWYUFNCTUGEFDJ-INIZCTEOSA-N	0	0	367.453	1.992	10	30		FDEERN
Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)no1	ZINC000177593412	174142714	/nfs/dbraw/zinc/14/27/14/174142714.db2.gz	ARDYGTYOJHXZED-AWEZNQCLSA-N	0	0	353.382	1.670	10	30		FDEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(Cn2cccn2)CC1	ZINC000178486156	174190925	/nfs/dbraw/zinc/19/09/25/174190925.db2.gz	NXKPVLXSAHLNKF-UHFFFAOYSA-N	0	0	351.410	1.941	10	30		FDEERN
CCn1c(C)nnc1CN(CCOC)S(=O)(=O)c1ccc(C#N)cc1	ZINC000180360985	258367255	/nfs/dbraw/zinc/36/72/55/258367255.db2.gz	WWKVLSMDJPCGAW-UHFFFAOYSA-N	0	0	363.443	1.315	10	30		FDEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1	ZINC000174000401	258316880	/nfs/dbraw/zinc/31/68/80/258316880.db2.gz	CKSHEZPHRNZTHU-CQSZACIVSA-N	0	0	355.847	1.307	10	30		FDEERN
CCC(=O)N1C[C@@H](NC(=O)c2ccccc2C#N)C[C@H]1C(=O)N(CC)CC	ZINC000096132442	222037967	/nfs/dbraw/zinc/03/79/67/222037967.db2.gz	RFRIWDWCVWNWJZ-RDJZCZTQSA-N	0	0	370.453	1.536	10	30		FDEERN
N#Cc1ccc(OC2CN(C(=O)[C@H]3CSCN3C(=O)C3CCC3)C2)cc1	ZINC000329749463	259110565	/nfs/dbraw/zinc/11/05/65/259110565.db2.gz	UHVCUCHXZZQAAA-QGZVFWFLSA-N	0	0	371.462	1.849	10	30		FDEERN
CC1(C)C=Cc2cc3c(cc2O1)O[C@H]1[C@]3(O)COC2=CC(=O)C=C[C@@]21O	ZINC000001610278	518234193	/nfs/dbraw/zinc/23/41/93/518234193.db2.gz	PDSPTIAGLVOKKO-RLLQIKCJSA-N	0	0	354.358	1.604	10	30	biogenic	FDEERN
COc1ncccc1CNC(=O)N1CCCN(c2ncccc2C#N)CC1	ZINC000056621421	521887867	/nfs/dbraw/zinc/88/78/67/521887867.db2.gz	NIHNHXGNJFTEII-UHFFFAOYSA-N	0	0	366.425	1.779	10	30		FDEERN
NC(=S)N/N=C1/c2ccccc2N(CC(=O)Nc2ccc(F)cc2)C1=O	ZINC000072414952	522246107	/nfs/dbraw/zinc/24/61/07/522246107.db2.gz	JHHIIGUOJLDJAP-QNGOZBTKSA-N	0	0	371.397	1.348	10	30		FDEERN
N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000053898828	523537605	/nfs/dbraw/zinc/53/76/05/523537605.db2.gz	FAOXCGSKXBIWCU-JKSUJKDBSA-N	0	0	358.310	1.881	10	30		FDEERN
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000172206986	524160183	/nfs/dbraw/zinc/16/01/83/524160183.db2.gz	TWKRNOPZKBTGGI-AWEZNQCLSA-N	0	0	367.409	1.645	10	30		FDEERN
C=CCNc1ncc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)s1	ZINC000136262019	524193902	/nfs/dbraw/zinc/19/39/02/524193902.db2.gz	MJZQPFSOCIXAFJ-UHFFFAOYSA-N	0	0	360.487	1.823	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)CC2	ZINC000157597585	524305360	/nfs/dbraw/zinc/30/53/60/524305360.db2.gz	OMZBAAZAPWJYNR-SNVBAGLBSA-N	0	0	365.846	1.659	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1CC	ZINC000157667413	524316146	/nfs/dbraw/zinc/31/61/46/524316146.db2.gz	BSVWNVSCWIBJJQ-MRXNPFEDSA-N	0	0	369.462	1.819	10	30		FDEERN
C=CCOCCCC(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1	ZINC000173441862	524393472	/nfs/dbraw/zinc/39/34/72/524393472.db2.gz	AXZCTBJKSYZWFY-UHFFFAOYSA-N	0	0	358.446	1.303	10	30		FDEERN
CC1=CC(=O)C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]3[C@@]12C	ZINC000087489465	524431645	/nfs/dbraw/zinc/43/16/45/524431645.db2.gz	VVNDBKDEDMTMHN-PMDVZJNISA-N	0	0	374.477	1.948	10	30		FDEERN
Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CCO2)[nH]1	ZINC000173736252	524449511	/nfs/dbraw/zinc/44/95/11/524449511.db2.gz	OROHRCMIEBSLFK-CYBMUJFWSA-N	0	0	367.818	1.400	10	30		FDEERN
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C)c2C#N)CCN1CCOC	ZINC000174898190	524784938	/nfs/dbraw/zinc/78/49/38/524784938.db2.gz	XZWNTFCYDWWOCW-HNNXBMFYSA-N	0	0	358.442	1.374	10	30		FDEERN
CCCCCCCCCCCC(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000097973262	525196339	/nfs/dbraw/zinc/19/63/39/525196339.db2.gz	HABWUWJGNVZVPU-IREHDKGXSA-N	0	0	362.463	1.250	10	30		FDEERN
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1(C#N)CCCCC1	ZINC000125610518	525217838	/nfs/dbraw/zinc/21/78/38/525217838.db2.gz	KEODLQARKALOTH-GFCCVEGCSA-N	0	0	360.439	1.456	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1CC	ZINC000116899298	525248201	/nfs/dbraw/zinc/24/82/01/525248201.db2.gz	VCWBYGAKCRRBKQ-OAHLLOKOSA-N	0	0	369.462	1.819	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)n1	ZINC000106133531	525624665	/nfs/dbraw/zinc/62/46/65/525624665.db2.gz	KDMZZNZORZHPLP-WMLDXEAASA-N	0	0	371.441	1.368	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(CC(=O)Nc3sccc3C#N)CC2)n1	ZINC000106133317	525624779	/nfs/dbraw/zinc/62/47/79/525624779.db2.gz	CBNUGXWUVMTQSZ-LLVKDONJSA-N	0	0	360.443	1.629	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)n1	ZINC000106134777	525626387	/nfs/dbraw/zinc/62/63/87/525626387.db2.gz	YQLAEIVCFUJPGB-CYBMUJFWSA-N	0	0	354.414	1.567	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(CC(=O)N(CC)C[C@H](C)C#N)CC2)n1	ZINC000106137156	525627857	/nfs/dbraw/zinc/62/78/57/525627857.db2.gz	SKFREKBKKSUUNJ-HUUCEWRRSA-N	0	0	362.478	1.319	10	30		FDEERN
CCOc1ccnc(N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)n1	ZINC000106152933	525636284	/nfs/dbraw/zinc/63/62/84/525636284.db2.gz	DBNUHTRLWZJGAO-UHFFFAOYSA-N	0	0	366.425	1.508	10	30		FDEERN
C=CCc1cc(C(=O)N2CCN(C[C@H](O)CC)CC2)cc(OC)c1OC	ZINC000106397961	525714293	/nfs/dbraw/zinc/71/42/93/525714293.db2.gz	ATEJAFWHVZEMFA-QGZVFWFLSA-N	0	0	362.470	1.961	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1	ZINC000119561949	525787455	/nfs/dbraw/zinc/78/74/55/525787455.db2.gz	XFRIJDBIKSVADX-HNNXBMFYSA-N	0	0	351.410	1.453	10	30		FDEERN
CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)CC2	ZINC000181732886	525911618	/nfs/dbraw/zinc/91/16/18/525911618.db2.gz	LYUKMGBZAGFEPE-HNNXBMFYSA-N	0	0	359.455	1.708	10	30		FDEERN
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc3nncn3n2)CC1	ZINC000108947049	526046088	/nfs/dbraw/zinc/04/60/88/526046088.db2.gz	FPVKLONCALFPRM-UHFFFAOYSA-N	0	0	350.342	1.231	10	30		FDEERN
N#CCOc1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1	ZINC000171906917	526176547	/nfs/dbraw/zinc/17/65/47/526176547.db2.gz	MSKJSTKJPDBXJO-KRWDZBQOSA-N	0	0	355.398	1.396	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCn2nc(C)nc21	ZINC000184992893	536195153	/nfs/dbraw/zinc/19/51/53/536195153.db2.gz	AHQAGOQIFZVQHU-CQSZACIVSA-N	0	0	353.382	1.188	10	30		FDEERN
CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(C#N)cc1OC	ZINC000185841013	536218962	/nfs/dbraw/zinc/21/89/62/536218962.db2.gz	WVNQVBWEVPFNNO-LBPRGKRZSA-N	0	0	361.427	1.534	10	30		FDEERN
C[C@@H]1C(=O)NCCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000188855866	536960436	/nfs/dbraw/zinc/96/04/36/536960436.db2.gz	VMQGDCVLTZMXQL-OAHLLOKOSA-N	0	0	356.426	1.450	10	30		FDEERN
CC[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCN1C[C@H](C)O	ZINC000252692845	537251379	/nfs/dbraw/zinc/25/13/79/537251379.db2.gz	XBSMDYZAPKQMNS-WCQYABFASA-N	0	0	373.425	1.302	10	30		FDEERN
CN(C)S(=O)(=O)ON1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000226859553	537567686	/nfs/dbraw/zinc/56/76/86/537567686.db2.gz	FDQMJTCUJNZXLZ-UHFFFAOYSA-N	0	0	365.323	1.082	10	30		FDEERN
CCCCCCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000616581977	555319998	/nfs/dbraw/zinc/31/99/98/555319998.db2.gz	HABWUWJGNVZVPU-FGTAOJJYSA-N	0	0	362.463	1.250	10	30		FDEERN
O=C(NC[C@@H]1CCn2ncc(C(=O)N3CCOCC3)c2C1)c1ccccn1	ZINC000328606695	571323982	/nfs/dbraw/zinc/32/39/82/571323982.db2.gz	SKXHWAPMSYMJLF-CQSZACIVSA-N	0	0	369.425	1.318	10	30		FDEERN
Cn1ccnc(N2CCC[C@H](NC(=O)c3cnc4ccccn43)C2)c1=O	ZINC000328622364	571324524	/nfs/dbraw/zinc/32/45/24/571324524.db2.gz	BFGUELGONTZSPQ-ZDUSSCGKSA-N	0	0	352.398	1.402	10	30		FDEERN
CCN(Cc1nnc(C)o1)[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1O	ZINC000328626898	571324867	/nfs/dbraw/zinc/32/48/67/571324867.db2.gz	FPBSKKPVISWFSG-IAGOWNOFSA-N	0	0	359.405	1.456	10	30		FDEERN
C=CCn1nnn(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1=S	ZINC000057091407	671259896	/nfs/dbraw/zinc/25/98/96/671259896.db2.gz	HLFOEDYWPBEITH-LBPRGKRZSA-N	0	0	354.480	1.942	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)s1	ZINC000263456446	672876560	/nfs/dbraw/zinc/87/65/60/672876560.db2.gz	CFNRKIGETFNHNZ-UHFFFAOYSA-N	0	0	369.468	1.226	10	30		FDEERN
Cn1cc([C@@H]2CN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)CCO2)cn1	ZINC000330085197	676671830	/nfs/dbraw/zinc/67/18/30/676671830.db2.gz	CRAAMJBXYBWITK-VIFPVBQESA-N	0	0	359.312	1.045	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1N1CCOCC1	ZINC000246086359	178399897	/nfs/dbraw/zinc/39/98/97/178399897.db2.gz	IOUDDOQGAZADNM-SWLSCSKDSA-N	0	0	353.419	1.039	10	30		FDEERN
COC(=O)C1CCN(c2ncnc(N(CCC#N)CCC#N)c2N)CC1	ZINC000040751894	136120486	/nfs/dbraw/zinc/12/04/86/136120486.db2.gz	QJDGYFRHDOBOFS-UHFFFAOYSA-N	0	0	357.418	1.082	10	30		FDEERN
N#Cc1cccnc1N1CCCN(C(=O)Cc2ccc3c(c2)OCO3)CC1	ZINC000055741702	171961693	/nfs/dbraw/zinc/96/16/93/171961693.db2.gz	CUAAJJTYWGCAEF-UHFFFAOYSA-N	0	0	364.405	1.963	10	30		FDEERN
N#Cc1ccc(-c2nnc(CN3CCN(Cc4ccon4)CC3)o2)cc1	ZINC000075843491	172096635	/nfs/dbraw/zinc/09/66/35/172096635.db2.gz	NIDXFYWRDQLAQU-UHFFFAOYSA-N	0	0	350.382	1.914	10	30		FDEERN
C[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N1CCOCC1	ZINC000103853821	172371672	/nfs/dbraw/zinc/37/16/72/172371672.db2.gz	GSHSOQBLOPDMBA-INIZCTEOSA-N	0	0	372.469	1.832	10	30		FDEERN
COCCN1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1C	ZINC000125527743	173009535	/nfs/dbraw/zinc/00/95/35/173009535.db2.gz	FPSPRIGYQSTJKM-NSHDSACASA-N	0	0	359.398	1.178	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1N1CCOCC1	ZINC000125858712	173020684	/nfs/dbraw/zinc/02/06/84/173020684.db2.gz	IOUDDOQGAZADNM-WFASDCNBSA-N	0	0	353.419	1.039	10	30		FDEERN
Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000125863522	173020727	/nfs/dbraw/zinc/02/07/27/173020727.db2.gz	OGHZKLSCRRZRHZ-LBPRGKRZSA-N	0	0	351.819	1.925	10	30		FDEERN
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CCN1CCOC	ZINC000175988914	174043122	/nfs/dbraw/zinc/04/31/22/174043122.db2.gz	XIAQPQUMHSAQKE-OAHLLOKOSA-N	0	0	362.405	1.205	10	30		FDEERN
CC[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CCN1CCOC	ZINC000176232718	174060173	/nfs/dbraw/zinc/06/01/73/174060173.db2.gz	XWUULOOOHIICSV-QGZVFWFLSA-N	0	0	365.499	1.375	10	30		FDEERN
Cc1nnc([C@@H]2CN(CC(=O)Nc3sc(C)c(C)c3C#N)CCO2)[nH]1	ZINC000177350007	174123226	/nfs/dbraw/zinc/12/32/26/174123226.db2.gz	YOWFYABYDRFFNT-ZDUSSCGKSA-N	0	0	360.443	1.675	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c(Cl)c1	ZINC000180030703	258361016	/nfs/dbraw/zinc/36/10/16/258361016.db2.gz	MOXLGULUJPNWPS-ZDUSSCGKSA-N	0	0	355.847	1.307	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@H]2CO)cc1	ZINC000179213280	258346188	/nfs/dbraw/zinc/34/61/88/258346188.db2.gz	MEHMZGYDJXMERM-JKSUJKDBSA-N	0	0	350.440	1.140	10	30		FDEERN
Cc1ccc(NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1C#N	ZINC000302670868	259044276	/nfs/dbraw/zinc/04/42/76/259044276.db2.gz	RJVLZCMVVOBLTK-UHFFFAOYSA-N	0	0	361.383	1.560	10	30		FDEERN
O=[N+]([O-])c1cc2c(cc1/C=N/NC(=S)NC[C@@H]1CCCO1)OCO2	ZINC000003297953	518263250	/nfs/dbraw/zinc/26/32/50/518263250.db2.gz	ASCLVPSFADDECV-JIURPICXSA-N	0	0	352.372	1.301	10	30		FDEERN
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O)cc2O)cc1[N+](=O)[O-]	ZINC000005446341	518344387	/nfs/dbraw/zinc/34/43/87/518344387.db2.gz	GIRKNDSBKWKUKP-OVCLIPMQSA-N	0	0	351.340	1.627	10	30		FDEERN
O=S(=O)(c1ccc(/N=C\c2ccc(O)cc2O)cc1)N1CCOCC1	ZINC000005944595	518358569	/nfs/dbraw/zinc/35/85/69/518358569.db2.gz	QPMMWGCKRSVZIR-PDGQHHTCSA-N	0	0	362.407	1.869	10	30		FDEERN
CC(C)(C)OC(=O)C(C)(C)O/N=C\C(=O)OCCc1csc(N)n1	ZINC000083263287	518775418	/nfs/dbraw/zinc/77/54/18/518775418.db2.gz	RGHHMNDFKAYQNQ-IUXPMGMMSA-N	0	0	357.432	1.934	10	30		FDEERN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CCCC3)CC2)cc1	ZINC000031516887	519439031	/nfs/dbraw/zinc/43/90/31/519439031.db2.gz	DNYDJSRGGSREBA-UHFFFAOYSA-N	0	0	361.467	1.912	10	30		FDEERN
N#Cc1cccnc1N1CCN(C(=O)CN2CCc3sccc3C2)CC1	ZINC000058789480	522298138	/nfs/dbraw/zinc/29/81/38/522298138.db2.gz	FFOYLOAFAPWOCM-UHFFFAOYSA-N	0	0	367.478	1.722	10	30		FDEERN
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCOc1ccc(C#N)cc1	ZINC000074736680	522828608	/nfs/dbraw/zinc/82/86/08/522828608.db2.gz	UNQKYUQBBBCXAQ-KRWDZBQOSA-N	0	0	358.442	1.979	10	30		FDEERN
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[C@H]2O)c1	ZINC000077151758	523252564	/nfs/dbraw/zinc/25/25/64/523252564.db2.gz	VRDRBPGBDLRFSU-GDBMZVCRSA-N	0	0	352.456	1.432	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(C(=O)COc3ccccc3C#N)CCO2)n1	ZINC000110907186	524159930	/nfs/dbraw/zinc/15/99/30/524159930.db2.gz	PPCHTACXMJFYEO-QGZVFWFLSA-N	0	0	354.410	1.678	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)CCO2)c1	ZINC000137183917	524232347	/nfs/dbraw/zinc/23/23/47/524232347.db2.gz	HIWSGXUJPYCRLJ-INIZCTEOSA-N	0	0	353.378	1.199	10	30		FDEERN
N#CCCN(CCC#N)C(=O)CNC1(c2noc(C3CC3)n2)CCCC1	ZINC000173711999	524437885	/nfs/dbraw/zinc/43/78/85/524437885.db2.gz	HGRKIJLRZNHAHH-UHFFFAOYSA-N	0	0	356.430	1.962	10	30		FDEERN
C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1nnnn1C(C)C	ZINC000174630337	524661725	/nfs/dbraw/zinc/66/17/25/524661725.db2.gz	TVYADNJBNYFYBT-UHFFFAOYSA-N	0	0	373.442	1.672	10	30		FDEERN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1	ZINC000113889662	524723534	/nfs/dbraw/zinc/72/35/34/524723534.db2.gz	ZOMJYKYLWHOWST-KRWDZBQOSA-N	0	0	372.450	1.689	10	30		FDEERN
N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)n1	ZINC000123610276	524789274	/nfs/dbraw/zinc/78/92/74/524789274.db2.gz	IKDPYRSGOGOKRY-QWRGUYRKSA-N	0	0	357.336	1.973	10	30		FDEERN
C[C@@H]1CN([C@@H](CNC(=O)N2CCO[C@H](C#N)C2)c2cccs2)CCO1	ZINC000175044895	524850320	/nfs/dbraw/zinc/85/03/20/524850320.db2.gz	PQBDXHRGDMIJAA-KFWWJZLASA-N	0	0	364.471	1.444	10	30		FDEERN
Cn1cc(CN2CCCN(C(=O)NCc3ccc(C#N)cc3)CC2)cn1	ZINC000115795880	525061750	/nfs/dbraw/zinc/06/17/50/525061750.db2.gz	JLYWUOOKYDWRBK-UHFFFAOYSA-N	0	0	352.442	1.709	10	30		FDEERN
C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCCn3nc(CC)nc32)c1	ZINC000176181200	525062096	/nfs/dbraw/zinc/06/20/96/525062096.db2.gz	IHPQHHMCGREHPQ-OAHLLOKOSA-N	0	0	366.425	1.595	10	30		FDEERN
Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)C2)n1	ZINC000125310934	525188663	/nfs/dbraw/zinc/18/86/63/525188663.db2.gz	AKIQFYSKRFBMGQ-ZDUSSCGKSA-N	0	0	372.454	1.906	10	30		FDEERN
C[C@H](C#N)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1	ZINC000125350698	525193440	/nfs/dbraw/zinc/19/34/40/525193440.db2.gz	UEHFTEJRFCMINA-SECBINFHSA-N	0	0	360.233	1.098	10	30		FDEERN
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C#N)C1CCCCC1	ZINC000126256632	525291102	/nfs/dbraw/zinc/29/11/02/525291102.db2.gz	DKYAGHJRSBPCAL-WFASDCNBSA-N	0	0	374.466	1.702	10	30		FDEERN
COCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@H]1C	ZINC000117522889	525360108	/nfs/dbraw/zinc/36/01/08/525360108.db2.gz	IIJMYSZITDMVDP-GFCCVEGCSA-N	0	0	364.833	1.329	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)C#Cc1ccc3c(c1)OCO3)CC2	ZINC000126974700	525369370	/nfs/dbraw/zinc/36/93/70/525369370.db2.gz	IBYCOINEBVHVIG-AWEZNQCLSA-N	0	0	352.394	1.613	10	30		FDEERN
CCOCCN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C	ZINC000128619506	525561413	/nfs/dbraw/zinc/56/14/13/525561413.db2.gz	YTNGCZGFYMJQKG-INIZCTEOSA-N	0	0	365.499	1.375	10	30		FDEERN
CCOCCN1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000106112507	525601936	/nfs/dbraw/zinc/60/19/36/525601936.db2.gz	MJOOUSDXXGINBG-SFHVURJKSA-N	0	0	358.486	1.976	10	30		FDEERN
CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000106145737	525631849	/nfs/dbraw/zinc/63/18/49/525631849.db2.gz	DBQPPDFXVBABBP-HXUWFJFHSA-N	0	0	374.533	1.810	10	30		FDEERN
C=CCNC(=O)[C@@H](C)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1	ZINC000106159540	525643053	/nfs/dbraw/zinc/64/30/53/525643053.db2.gz	ZULHTSRSIRKFQS-CYBMUJFWSA-N	0	0	353.898	1.444	10	30		FDEERN
N#CCCN(C(=O)CN1CCO[C@@H](Cn2cccn2)C1)c1ccccc1	ZINC000106193403	525663490	/nfs/dbraw/zinc/66/34/90/525663490.db2.gz	VKSIRWJZNGOSDF-GOSISDBHSA-N	0	0	353.426	1.531	10	30		FDEERN
N#Cc1cc(F)c(C(=O)N2CCN(c3ccc4nncn4n3)CC2)c(F)c1	ZINC000119330491	525709919	/nfs/dbraw/zinc/70/99/19/525709919.db2.gz	HSPAYHZDNAELRH-UHFFFAOYSA-N	0	0	369.335	1.237	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000170935757	525778331	/nfs/dbraw/zinc/77/83/31/525778331.db2.gz	GBJVNYRFQZMARC-QUCCMNQESA-N	0	0	357.498	1.927	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)CC2	ZINC000119557584	525785986	/nfs/dbraw/zinc/78/59/86/525785986.db2.gz	XIOZXIZRKMISDH-CQSZACIVSA-N	0	0	352.398	1.343	10	30		FDEERN
COC(=O)N[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)C(C)C	ZINC000108255575	525940835	/nfs/dbraw/zinc/94/08/35/525940835.db2.gz	QEZUYIUJLMJUER-DLBZAZTESA-N	0	0	358.442	1.776	10	30		FDEERN
CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000182404721	526163639	/nfs/dbraw/zinc/16/36/39/526163639.db2.gz	ANIXVQUNPCXRNQ-CQSZACIVSA-N	0	0	357.863	1.289	10	30		FDEERN
C=CCNC(=O)c1ccc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)nc1	ZINC000263538933	537043476	/nfs/dbraw/zinc/04/34/76/537043476.db2.gz	BFZUGVKGPAFGCB-UHFFFAOYSA-N	0	0	358.442	1.737	10	30		FDEERN
CO[C@H]1CS(=O)(=O)C[C@H]1Nc1cc(Br)c(C#N)cc1F	ZINC000596432891	552678748	/nfs/dbraw/zinc/67/87/48/552678748.db2.gz	GPVKXVOFVVNDBG-NEPJUHHUSA-N	0	0	363.208	1.684	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@H]1CCCN(C(=O)NCC(C)(C)C#N)CC1	ZINC000328646128	571136727	/nfs/dbraw/zinc/13/67/27/571136727.db2.gz	SKBPMTPBOKVQDL-AWEZNQCLSA-N	0	0	359.478	1.809	10	30		FDEERN
CCn1c(N=NC(C)c2ccc(OC)cc2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000253531764	571318743	/nfs/dbraw/zinc/31/87/43/571318743.db2.gz	MZRCTIPYCZJKNB-UHFFFAOYSA-N	0	0	356.386	1.700	10	30		FDEERN
Cn1ccnc(N2CCC[C@H](NC(=O)NC[C@H]3CCCS3)C2)c1=O	ZINC000328626130	571324848	/nfs/dbraw/zinc/32/48/48/571324848.db2.gz	DVMHYTQNJDHTPR-QWHCGFSZSA-N	0	0	351.476	1.148	10	30		FDEERN
CC(C)(C)OC(=O)N1CCCC[C@]1(C)C(=O)N1CCN(CC#N)CC1	ZINC000182041197	672206437	/nfs/dbraw/zinc/20/64/37/672206437.db2.gz	PBODQYLNHRAFKR-GOSISDBHSA-N	0	0	350.463	1.834	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CCO1	ZINC000262179787	672741875	/nfs/dbraw/zinc/74/18/75/672741875.db2.gz	WNSGVDROVOTANQ-GFCCVEGCSA-N	0	0	357.332	1.799	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000262475813	672795971	/nfs/dbraw/zinc/79/59/71/672795971.db2.gz	PTSCHAIRERMWBQ-UHFFFAOYSA-N	0	0	371.846	1.427	10	30		FDEERN
CC(=O)Nc1ccn([C@@H]2CCN(C(=O)c3cccc(C#CCO)c3)C2)n1	ZINC000907554323	854354538	/nfs/dbraw/zinc/35/45/38/854354538.db2.gz	NSXDDBSBBXDBQB-QGZVFWFLSA-N	0	0	352.394	1.273	10	30		FDEERN
O=[N+]([O-])c1ccc(-c2nnn(CC#CI)n2)cc1	ZINC000003596926	205063589	/nfs/dbraw/zinc/06/35/89/205063589.db2.gz	VTPLZYBINOUDJN-UHFFFAOYSA-N	0	0	355.095	1.644	10	30		FDEERN
CCOC(=O)c1ccccc1Nc1ncnc(N(CC#N)CC#N)c1N	ZINC000040736916	205079280	/nfs/dbraw/zinc/07/92/80/205079280.db2.gz	OFMZPNOUQMZENR-UHFFFAOYSA-N	0	0	351.370	1.833	10	30		FDEERN
CC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)c2ncccc2C#N)C1	ZINC000095084190	205721682	/nfs/dbraw/zinc/72/16/82/205721682.db2.gz	PPLKQFNREVGENB-GFCCVEGCSA-N	0	0	351.428	1.984	10	30		FDEERN
CC(C)[C@@H](O)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000155427250	173542316	/nfs/dbraw/zinc/54/23/16/173542316.db2.gz	GNUIBRPQWURYCC-AWEZNQCLSA-N	0	0	358.398	1.862	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1CC	ZINC000157666929	173624368	/nfs/dbraw/zinc/62/43/68/173624368.db2.gz	IIQXABAPPRYGEI-INIZCTEOSA-N	0	0	351.472	1.680	10	30		FDEERN
N#Cc1cc(NC(=O)C(=O)N2CCO[C@@H](c3nccs3)C2)ccc1F	ZINC000177520045	174138745	/nfs/dbraw/zinc/13/87/45/174138745.db2.gz	XJFWWTLMYCIHHK-CYBMUJFWSA-N	0	0	360.370	1.692	10	30		FDEERN
N#Cc1ccc(NC(=O)C(=O)N2CCC(Nc3cccnn3)CC2)cc1	ZINC000177965755	174165706	/nfs/dbraw/zinc/16/57/06/174165706.db2.gz	ZYYVORUBEKUJPG-UHFFFAOYSA-N	0	0	350.382	1.390	10	30		FDEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1	ZINC000174000575	258316779	/nfs/dbraw/zinc/31/67/79/258316779.db2.gz	ABAJAXUGKAVQLW-LBPRGKRZSA-N	0	0	355.847	1.307	10	30		FDEERN
CC(C)[C@@H](O)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000178890394	258338865	/nfs/dbraw/zinc/33/88/65/258338865.db2.gz	NBUWTAGYWICHDB-KRWDZBQOSA-N	0	0	355.442	1.782	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1	ZINC000179213261	258346255	/nfs/dbraw/zinc/34/62/55/258346255.db2.gz	MEHMZGYDJXMERM-HZPDHXFCSA-N	0	0	350.440	1.140	10	30		FDEERN
N#Cc1cc(S(N)(=O)=O)ccc1NCc1nc(-c2cccs2)n[nH]1	ZINC000301542360	259029479	/nfs/dbraw/zinc/02/94/79/259029479.db2.gz	CNULUUFZPLROFC-UHFFFAOYSA-N	0	0	360.424	1.664	10	30		FDEERN
C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)N1CCOCC1	ZINC000328866071	259062702	/nfs/dbraw/zinc/06/27/02/259062702.db2.gz	NPZFAVYWPAIRJN-CZUORRHYSA-N	0	0	374.466	1.119	10	30		FDEERN
C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@H]1C/C=C1/C(=O)OC[C@H]1O	ZINC000008681407	518483068	/nfs/dbraw/zinc/48/30/68/518483068.db2.gz	BOJKULTULYSRAS-WTGVAJPUSA-N	0	0	350.455	1.963	10	30		FDEERN
C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1[C@H](O)CC1=CCOC1=O	ZINC000034647395	518663036	/nfs/dbraw/zinc/66/30/36/518663036.db2.gz	BNLCOXWUZAOLDT-JLEOBMEESA-N	0	0	350.455	1.963	10	30		FDEERN
CCn1cc(C#N)c(=O)n(Cc2nc(-c3ccc(C)c(F)c3)no2)c1=O	ZINC000073446605	522528285	/nfs/dbraw/zinc/52/82/85/522528285.db2.gz	NBPLYWKFIXIFEX-UHFFFAOYSA-N	0	0	355.329	1.447	10	30		FDEERN
C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCCN(c2ncccc2C#N)CC1	ZINC000064633312	522739604	/nfs/dbraw/zinc/73/96/04/522739604.db2.gz	KHNCNOUABMFTBJ-AWEZNQCLSA-N	0	0	372.473	1.478	10	30		FDEERN
N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000053898827	523537219	/nfs/dbraw/zinc/53/72/19/523537219.db2.gz	FAOXCGSKXBIWCU-HOTGVXAUSA-N	0	0	358.310	1.881	10	30		FDEERN
Cn1c(=O)c(C#N)c(N2CCC(Nc3ccccc3F)CC2)n(C)c1=O	ZINC000078370591	523571354	/nfs/dbraw/zinc/57/13/54/523571354.db2.gz	NDKQYHJOZCUSCT-UHFFFAOYSA-N	0	0	357.389	1.176	10	30		FDEERN
C#CCNC(=O)c1ccc(N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)nc1	ZINC000078675129	523635138	/nfs/dbraw/zinc/63/51/38/523635138.db2.gz	SUTNYAZRAGRPTA-OAHLLOKOSA-N	0	0	366.425	1.094	10	30		FDEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@H](Cn2cccn2)C1	ZINC000111085401	524198547	/nfs/dbraw/zinc/19/85/47/524198547.db2.gz	MLJJWFKPWJCDDW-KRWDZBQOSA-N	0	0	370.457	1.470	10	30		FDEERN
N#CCCCCNC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1	ZINC000172335307	524203380	/nfs/dbraw/zinc/20/33/80/524203380.db2.gz	RHJUZUNSCYTAMH-KRWDZBQOSA-N	0	0	360.458	1.447	10	30		FDEERN
O=C(C#Cc1ccc2c(c1)OCO2)N1CCC(Nc2cccnn2)CC1	ZINC000136762732	524216065	/nfs/dbraw/zinc/21/60/65/524216065.db2.gz	YFILACYDHWVNGJ-UHFFFAOYSA-N	0	0	350.378	1.660	10	30		FDEERN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2c2cn[nH]c2)CC1	ZINC000091620788	524743797	/nfs/dbraw/zinc/74/37/97/524743797.db2.gz	NARFRRNWNSFZFP-QZTJIDSGSA-N	0	0	358.490	1.629	10	30		FDEERN
Cn1cc(CN2CCCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1	ZINC000115581036	525028166	/nfs/dbraw/zinc/02/81/66/525028166.db2.gz	KPWKFMXRULFXFB-UHFFFAOYSA-N	0	0	359.455	1.188	10	30		FDEERN
C#CCN(C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)C1CCCC1	ZINC000176448050	525121645	/nfs/dbraw/zinc/12/16/45/525121645.db2.gz	LBZPHKHWUQUTPZ-INIZCTEOSA-N	0	0	357.458	1.811	10	30		FDEERN
CCCn1cc(CN2CCCN(S(=O)(=O)CCCCC#N)CC2)cn1	ZINC000153273882	525165215	/nfs/dbraw/zinc/16/52/15/525165215.db2.gz	FESOXCRYHGOGCW-UHFFFAOYSA-N	0	0	367.519	1.824	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1	ZINC000177116029	525242004	/nfs/dbraw/zinc/24/20/04/525242004.db2.gz	JJMDLPWUFPJQRF-OAHLLOKOSA-N	0	0	359.361	1.870	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cc1	ZINC000177395707	525285006	/nfs/dbraw/zinc/28/50/06/525285006.db2.gz	NZFZNPZVUNNVHI-QGZVFWFLSA-N	0	0	370.453	1.238	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1C	ZINC000117368720	525327671	/nfs/dbraw/zinc/32/76/71/525327671.db2.gz	NOZLOQNCCYAKDN-ZDUSSCGKSA-N	0	0	371.890	1.943	10	30		FDEERN
Cc1nc(CN2CCCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)no1	ZINC000178175305	525392875	/nfs/dbraw/zinc/39/28/75/525392875.db2.gz	QSNBTWCKVDHFFL-UHFFFAOYSA-N	0	0	368.393	1.193	10	30		FDEERN
Cc1cnn(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c1	ZINC000118132664	525481376	/nfs/dbraw/zinc/48/13/76/525481376.db2.gz	MQMZSWQVBLPPGL-UHFFFAOYSA-N	0	0	363.324	1.420	10	30		FDEERN
CNC(=O)[C@H]1CCCN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000179231100	525547522	/nfs/dbraw/zinc/54/75/22/525547522.db2.gz	HPVKLZGFRCHFBT-CQSZACIVSA-N	0	0	353.344	1.977	10	30		FDEERN
CN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCN(c2cccnn2)C1	ZINC000106078401	525566922	/nfs/dbraw/zinc/56/69/22/525566922.db2.gz	BNFGALWHZMSXHM-KRWDZBQOSA-N	0	0	350.426	1.888	10	30		FDEERN
CN(c1cccnn1)C1CCN(CC(=O)Nc2sccc2C#N)CC1	ZINC000106084206	525571085	/nfs/dbraw/zinc/57/10/85/525571085.db2.gz	KGKOFVPBVBXENC-UHFFFAOYSA-N	0	0	356.455	1.949	10	30		FDEERN
Cc1ncc(CN2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)s1	ZINC000106090606	525573091	/nfs/dbraw/zinc/57/30/91/525573091.db2.gz	XEYZREXKTANSDS-QGZVFWFLSA-N	0	0	372.494	1.881	10	30		FDEERN
C[C@](C#N)(NC(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1)C1CC1	ZINC000106097489	525576806	/nfs/dbraw/zinc/57/68/06/525576806.db2.gz	BGXJTNDKTUSFJP-AZUAARDMSA-N	0	0	356.470	1.146	10	30		FDEERN
C=CCNc1ncc(C(=O)NC[C@H]2CCCN2c2cc(NC)ncn2)s1	ZINC000129379266	525649846	/nfs/dbraw/zinc/64/98/46/525649846.db2.gz	OQIPWRPEUXJUOD-GFCCVEGCSA-N	0	0	373.486	1.972	10	30		FDEERN
Cn1cc(CN2CCCN(C(=O)COc3ccccc3C#N)CC2)cn1	ZINC000109659294	526158379	/nfs/dbraw/zinc/15/83/79/526158379.db2.gz	HALRRKLVCIIKBE-UHFFFAOYSA-N	0	0	353.426	1.405	10	30		FDEERN
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)CC#N	ZINC000120850191	526200764	/nfs/dbraw/zinc/20/07/64/526200764.db2.gz	VXRJIRVRFDPEHD-ZDUSSCGKSA-N	0	0	352.778	1.985	10	30		FDEERN
CCOC(=O)C1CCN(c2ncnc(N(CCC#N)CCC#N)c2N)CC1	ZINC000040736985	535605078	/nfs/dbraw/zinc/60/50/78/535605078.db2.gz	GCBCYAFUCGDXJJ-UHFFFAOYSA-N	0	0	371.445	1.472	10	30		FDEERN
CC(=O)N[C@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184579448	536166886	/nfs/dbraw/zinc/16/68/86/536166886.db2.gz	IZOCHXHTSJUQIW-AWEZNQCLSA-N	0	0	353.386	1.271	10	30		FDEERN
CCCC[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)OC(C)(C)C	ZINC000185374495	536206808	/nfs/dbraw/zinc/20/68/08/536206808.db2.gz	NMNVOSFFFNHPHO-GFCCVEGCSA-N	0	0	350.419	1.268	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1	ZINC000187943666	536278539	/nfs/dbraw/zinc/27/85/39/536278539.db2.gz	AXUBYDYOLMDGOI-INIZCTEOSA-N	0	0	352.394	1.734	10	30		FDEERN
CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)CC2	ZINC000188283718	536288555	/nfs/dbraw/zinc/28/85/55/536288555.db2.gz	ZWNNIOPYKSVKSN-GFCCVEGCSA-N	0	0	370.388	1.482	10	30		FDEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](Cn2nc(C)cc2C)C1	ZINC000246367353	536937466	/nfs/dbraw/zinc/93/74/66/536937466.db2.gz	HEKOPQNLDAMFAF-RTBURBONSA-N	0	0	368.437	1.987	10	30		FDEERN
Cc1nnc([C@H]2CN([C@H](C)C(=O)N(CCC#N)c3ccccc3)CCO2)[nH]1	ZINC000246903401	537048137	/nfs/dbraw/zinc/04/81/37/537048137.db2.gz	HXFMHYPESWSHPA-RHSMWYFYSA-N	0	0	368.441	1.822	10	30		FDEERN
CC[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCN1C[C@H](C)O	ZINC000245535396	537660193	/nfs/dbraw/zinc/66/01/93/537660193.db2.gz	IBYSAVGNCFTGEK-RDJZCZTQSA-N	0	0	365.499	1.109	10	30		FDEERN
NC(=O)c1nn(-c2cccc(C#C[C@@]3(O)CCCC3=O)c2)c2ccccc12	ZINC000584617832	551524225	/nfs/dbraw/zinc/52/42/25/551524225.db2.gz	MYMIPUOCKZMJRL-NRFANRHFSA-N	0	0	359.385	1.960	10	30		FDEERN
CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)NC[C@@H]2CCOC2)CC1	ZINC000328636188	571325530	/nfs/dbraw/zinc/32/55/30/571325530.db2.gz	NXMDHXNSORGRNL-GOEBONIOSA-N	0	0	373.519	1.606	10	30		FDEERN
C=C(Br)CNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1	ZINC000111842886	671633652	/nfs/dbraw/zinc/63/36/52/671633652.db2.gz	JKMQJQQBZMZODN-CYBMUJFWSA-N	0	0	357.252	1.819	10	30		FDEERN
COCCN1CCN(C(=O)Nc2ccc(F)cc2OCC#N)C[C@H]1C	ZINC000135304421	671835786	/nfs/dbraw/zinc/83/57/86/671835786.db2.gz	QSNTYPRPQZJYKO-CYBMUJFWSA-N	0	0	350.394	1.912	10	30		FDEERN
O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCO[C@@H](c2nccs2)C1	ZINC000330125434	676674427	/nfs/dbraw/zinc/67/44/27/676674427.db2.gz	LZAISOQZFFZTRK-SSDOTTSWSA-N	0	0	362.337	1.768	10	30		FDEERN
C[C@@H](CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCCCC1=O	ZINC000192834416	178135163	/nfs/dbraw/zinc/13/51/63/178135163.db2.gz	FAQNUHMKXCBHLP-HNNXBMFYSA-N	0	0	355.442	1.393	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN3CCCC[C@@H]3C2)cc1	ZINC000195055951	178237501	/nfs/dbraw/zinc/23/75/01/178237501.db2.gz	XUEQUHCDXONVDX-QGZVFWFLSA-N	0	0	361.467	1.170	10	30		FDEERN
Cc1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000172676594	258282350	/nfs/dbraw/zinc/28/23/50/258282350.db2.gz	TYTMXISKPHKVEF-INIZCTEOSA-N	0	0	371.466	1.946	10	30		FDEERN
Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)C2)cn1	ZINC000116587879	172673053	/nfs/dbraw/zinc/67/30/53/172673053.db2.gz	BNIPHCDXYHVAEL-NSHDSACASA-N	0	0	357.801	1.900	10	30		FDEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000125997198	173026049	/nfs/dbraw/zinc/02/60/49/173026049.db2.gz	OBSFLCYIEXNPRB-CQSZACIVSA-N	0	0	352.398	1.093	10	30		FDEERN
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\OC[C@@H](O)CO	ZINC000022309221	518896930	/nfs/dbraw/zinc/89/69/30/518896930.db2.gz	ZWXBEUSAAVHLFW-DJFALACBSA-N	0	0	351.362	1.549	10	30		FDEERN
N#Cc1cccc(NC(=O)C(=O)NC2CCN(c3ncccn3)CC2)c1	ZINC000041453265	519657272	/nfs/dbraw/zinc/65/72/72/519657272.db2.gz	JTTNBANPFDRPQK-UHFFFAOYSA-N	0	0	350.382	1.072	10	30		FDEERN
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@H](C#N)C3)C2)c(F)c1	ZINC000069473306	521884653	/nfs/dbraw/zinc/88/46/53/521884653.db2.gz	MNFDTHZKSDPKJA-HUUCEWRRSA-N	0	0	357.389	1.600	10	30		FDEERN
C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO	ZINC000066348759	523025432	/nfs/dbraw/zinc/02/54/32/523025432.db2.gz	CJBJYUODJVBLNX-XKKOPNJJSA-N	0	0	370.445	1.884	10	30		FDEERN
CNc1cc(N2CCC[C@H]2CNC(=O)c2ccccc2OCC#N)ncn1	ZINC000173416580	524380810	/nfs/dbraw/zinc/38/08/10/524380810.db2.gz	CKSZXHNKVGWUBA-AWEZNQCLSA-N	0	0	366.425	1.819	10	30		FDEERN
C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CCS1(=O)=O	ZINC000122041115	524440083	/nfs/dbraw/zinc/44/00/83/524440083.db2.gz	MJONFJKLVWKTSS-CYBMUJFWSA-N	0	0	374.418	1.989	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cc1	ZINC000173852185	524468570	/nfs/dbraw/zinc/46/85/70/524468570.db2.gz	VMSZAYXQLAYWCU-KRWDZBQOSA-N	0	0	358.442	1.541	10	30		FDEERN
CCn1cc(CN2CCCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cn1	ZINC000112707529	524546150	/nfs/dbraw/zinc/54/61/50/524546150.db2.gz	PHMRWZIKOLPWHM-UHFFFAOYSA-N	0	0	374.470	1.066	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)/C=C/c3ccccc3C#N)C2=O)n(C)n1	ZINC000174990210	524823404	/nfs/dbraw/zinc/82/34/04/524823404.db2.gz	JHRHRTBPERECFC-OAGJVSPASA-N	0	0	363.421	1.925	10	30		FDEERN
COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1N(C)C1(C)COC1	ZINC000098178682	525210204	/nfs/dbraw/zinc/21/02/04/525210204.db2.gz	YDHNDOZHOLKKOH-UHFFFAOYSA-N	0	0	354.370	1.499	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1C	ZINC000117369232	525327724	/nfs/dbraw/zinc/32/77/24/525327724.db2.gz	KNBUJSQXMLVYOY-HNNXBMFYSA-N	0	0	351.472	1.431	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)n1	ZINC000106139519	525627874	/nfs/dbraw/zinc/62/78/74/525627874.db2.gz	YLFQNCNCIYMXSG-AWEZNQCLSA-N	0	0	368.441	1.821	10	30		FDEERN
CCN(C[C@@H](C)C#N)C(=O)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000106144475	525630576	/nfs/dbraw/zinc/63/05/76/525630576.db2.gz	WHGCXAXORPERET-KRWDZBQOSA-N	0	0	374.533	1.764	10	30		FDEERN
C=CCN(CC=C)C(=O)CN1CCN(c2nc(C)cc(OCC)n2)CC1	ZINC000106154044	525637412	/nfs/dbraw/zinc/63/74/12/525637412.db2.gz	IRAJJHNDPIVMAJ-UHFFFAOYSA-N	0	0	359.474	1.506	10	30		FDEERN
Cn1cc(CN2CCCN(CC(=O)Nc3sccc3C#N)CC2)cn1	ZINC000106155684	525639139	/nfs/dbraw/zinc/63/91/39/525639139.db2.gz	DXVFUGVICNGKBG-UHFFFAOYSA-N	0	0	358.471	1.500	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(CCC(=O)Nc3sccc3C#N)CCO2)c1	ZINC000106198554	525667158	/nfs/dbraw/zinc/66/71/58/525667158.db2.gz	PVORCPNCNRGCHO-HNNXBMFYSA-N	0	0	359.455	1.854	10	30		FDEERN
C=CCNC(=O)CNC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1	ZINC000180522761	525715417	/nfs/dbraw/zinc/71/54/17/525715417.db2.gz	BAUNPVGTBDGREX-AWEZNQCLSA-N	0	0	366.487	1.031	10	30		FDEERN
COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(OCC#N)cc1	ZINC000155332734	525828884	/nfs/dbraw/zinc/82/88/84/525828884.db2.gz	LGYSBWITGNLHNR-OAHLLOKOSA-N	0	0	355.398	1.521	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@@H]2C)ccc1F	ZINC000131333598	525847669	/nfs/dbraw/zinc/84/76/69/525847669.db2.gz	YLPULQYWYGIOIV-TXEJJXNPSA-N	0	0	356.419	1.539	10	30		FDEERN
COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000171368118	525966121	/nfs/dbraw/zinc/96/61/21/525966121.db2.gz	RDHJOKPPMIGRHG-RYUDHWBXSA-N	0	0	370.365	1.264	10	30		FDEERN
C[C@H](Oc1ccccc1C#N)C(=O)N1CCCN(c2cccnn2)CC1	ZINC000109631294	526141982	/nfs/dbraw/zinc/14/19/82/526141982.db2.gz	ZBHHJNKSVXTTPF-HNNXBMFYSA-N	0	0	351.410	1.854	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cn1	ZINC000183196445	535940761	/nfs/dbraw/zinc/94/07/61/535940761.db2.gz	MNZGIJQJDHQEQS-HNNXBMFYSA-N	0	0	372.454	1.797	10	30		FDEERN
Cc1nnc([C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CCO2)[nH]1	ZINC000184965973	536194517	/nfs/dbraw/zinc/19/45/17/536194517.db2.gz	JNYNSNPQQSQBTF-LBPRGKRZSA-N	0	0	367.818	1.400	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCn2nc(C)nc21	ZINC000184992870	536195143	/nfs/dbraw/zinc/19/51/43/536195143.db2.gz	AHQAGOQIFZVQHU-AWEZNQCLSA-N	0	0	353.382	1.188	10	30		FDEERN
C=C[C@](C)(CCOC)C(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1	ZINC000187965891	536279097	/nfs/dbraw/zinc/27/90/97/536279097.db2.gz	ZRHPOAKVNRLRAZ-LJQANCHMSA-N	0	0	372.473	1.549	10	30		FDEERN
CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(F)c2C#N)ncn1	ZINC000189937246	537118046	/nfs/dbraw/zinc/11/80/46/537118046.db2.gz	CKBKYHJMFHJLBU-GFCCVEGCSA-N	0	0	354.389	1.928	10	30		FDEERN
CNc1nc(/C=[N+](\[O-])c2ccc(N(C)C)cc2)c2ccc(=O)n(C)c2n1	ZINC000225405121	537546216	/nfs/dbraw/zinc/54/62/16/537546216.db2.gz	LLLGMNWNHJQHKJ-UHFFFAOYSA-O	0	0	353.406	1.589	10	30		FDEERN
O=CCn1cnc(I)c1I	ZINC000306431591	537605202	/nfs/dbraw/zinc/60/52/02/537605202.db2.gz	RLBIDYOFZHDCDY-UHFFFAOYSA-N	0	0	361.908	1.291	10	30		FDEERN
COC(=O)[C@@H](NC(=O)c1ccc(C#Cc2ccc(N)cc2)cc1)[C@@H](C)O	ZINC000584906746	551568003	/nfs/dbraw/zinc/56/80/03/551568003.db2.gz	TYANENYPQMSXEY-ACJLOTCBSA-N	0	0	352.390	1.321	10	30		FDEERN
CC(C)C[C@@H](C=O)NC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C	ZINC000013493522	571321294	/nfs/dbraw/zinc/32/12/94/571321294.db2.gz	WSJWUIDLGZAXID-GOEBONIOSA-N	0	0	372.462	1.858	10	30		FDEERN
Cc1nc(CN(C)[C@@H]2CCCN(C(=O)NCc3c[nH]nc3C)CC2)no1	ZINC000328630169	571325193	/nfs/dbraw/zinc/32/51/93/571325193.db2.gz	JCJNNSFEOJKGNH-OAHLLOKOSA-N	0	0	361.450	1.810	10	30		FDEERN
C[C@H](C#N)NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1	ZINC000125589576	671749697	/nfs/dbraw/zinc/74/96/97/671749697.db2.gz	HPBXRJBUONPQTB-LLVKDONJSA-N	0	0	354.391	1.889	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])C1	ZINC000702806339	884229329	/nfs/dbraw/zinc/22/93/29/884229329.db2.gz	KUPJLBGBBBWGOJ-RYUDHWBXSA-N	0	0	363.374	1.501	10	30		FDEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1	ZINC000193057110	178145412	/nfs/dbraw/zinc/14/54/12/178145412.db2.gz	QOMMAPXPSQHCJU-CQSZACIVSA-N	0	0	369.429	1.508	10	30		FDEERN
C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1C	ZINC000245775236	178380535	/nfs/dbraw/zinc/38/05/35/178380535.db2.gz	AIPRBSHUCNJJHF-NEPJUHHUSA-N	0	0	357.863	1.287	10	30		FDEERN
C=C1C(=O)O[C@@H]2C(=O)[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)C=C(C)C)[C@H]12	ZINC000004098158	291033217	/nfs/dbraw/zinc/03/32/17/291033217.db2.gz	AUJNARNSAAQNAK-WWHLYTOASA-N	0	0	358.390	1.942	10	30	biogenic,in-vitro	FDEERN
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1	ZINC000003873587	204113455	/nfs/dbraw/zinc/11/34/55/204113455.db2.gz	PPELJLBDXLMTEW-MRXNPFEDSA-N	0	0	362.407	1.316	10	30		FDEERN
C[C@@H](C/C(N)=N/O)N(C)S(=O)(=O)c1ccc(Br)s1	ZINC000063091821	205292400	/nfs/dbraw/zinc/29/24/00/205292400.db2.gz	GWZBXNIVFHJOCP-LURJTMIESA-N	0	0	356.267	1.656	10	30		FDEERN
Cc1c(-c2ccnc(N3CCOCC3)n2)cnc2nc(SCC#N)nn21	ZINC000054201944	136125174	/nfs/dbraw/zinc/12/51/74/136125174.db2.gz	NZDGTPZOHVHPNH-UHFFFAOYSA-N	0	0	368.426	1.342	10	30		FDEERN
C[C@@H](C(=O)OC(C)(C)C)N(C)CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000081567341	172191505	/nfs/dbraw/zinc/19/15/05/172191505.db2.gz	RNQCNSWGECEAJP-ZDUSSCGKSA-N	0	0	352.456	1.994	10	30		FDEERN
N#Cc1ccc2ncc(CN3CC[C@@H](S(=O)(=O)N4CCCC4)C3)n2c1	ZINC000092044799	172293126	/nfs/dbraw/zinc/29/31/26/172293126.db2.gz	WTSVCAYKRVECMA-MRXNPFEDSA-N	0	0	359.455	1.206	10	30		FDEERN
N#Cc1cc(F)c(S(=O)(=O)N2CCO[C@H](Cn3cccn3)C2)c(F)c1	ZINC000125308397	173000935	/nfs/dbraw/zinc/00/09/35/173000935.db2.gz	CKRDSWRNMXIFJY-GFCCVEGCSA-N	0	0	368.365	1.123	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1N1CCOCC1	ZINC000125858476	173021362	/nfs/dbraw/zinc/02/13/62/173021362.db2.gz	IOUDDOQGAZADNM-DOMZBBRYSA-N	0	0	353.419	1.039	10	30		FDEERN
CC(C)c1nnc2n1C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)CC2	ZINC000171119368	173862129	/nfs/dbraw/zinc/86/21/29/173862129.db2.gz	KKWDITFFUWAFNP-OAHLLOKOSA-N	0	0	366.425	1.134	10	30		FDEERN
N#Cc1c[nH]c(C(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)c1	ZINC000175703033	174021402	/nfs/dbraw/zinc/02/14/02/174021402.db2.gz	CERUZGBYRXKPRT-INIZCTEOSA-N	0	0	354.410	1.084	10	30		FDEERN
N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CCCn3ncnc32)CC1	ZINC000177353162	174123922	/nfs/dbraw/zinc/12/39/22/174123922.db2.gz	KPIMTMLLELUFAS-HNNXBMFYSA-N	0	0	351.414	1.516	10	30		FDEERN
Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cn1	ZINC000179656487	258355489	/nfs/dbraw/zinc/35/54/89/258355489.db2.gz	HSBROIKWCOXRKY-AWEZNQCLSA-N	0	0	369.429	1.545	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCCC[C@@H]2CO)cc1	ZINC000179213268	258346342	/nfs/dbraw/zinc/34/63/42/258346342.db2.gz	MEHMZGYDJXMERM-CVEARBPZSA-N	0	0	350.440	1.140	10	30		FDEERN
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\OC[C@H](O)CO	ZINC000022309220	518897619	/nfs/dbraw/zinc/89/76/19/518897619.db2.gz	ZWXBEUSAAVHLFW-WYWNQERDSA-N	0	0	351.362	1.549	10	30		FDEERN
COC(=O)[C@@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000066832038	523211294	/nfs/dbraw/zinc/21/12/94/523211294.db2.gz	BERLMHABRDPTAW-CQSZACIVSA-N	0	0	367.409	1.567	10	30		FDEERN
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1	ZINC000077151753	523252325	/nfs/dbraw/zinc/25/23/25/523252325.db2.gz	VRDRBPGBDLRFSU-HOCLYGCPSA-N	0	0	352.456	1.432	10	30		FDEERN
N#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1Cl	ZINC000111079064	524197874	/nfs/dbraw/zinc/19/78/74/524197874.db2.gz	HWPIMVJOVYIQNC-CQSZACIVSA-N	0	0	373.800	1.274	10	30		FDEERN
CCOCCN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C[C@H]1C	ZINC000172346435	524206455	/nfs/dbraw/zinc/20/64/55/524206455.db2.gz	LRUOFPKJIIYTOY-OAHLLOKOSA-N	0	0	358.442	1.374	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)[C@@H](C)Oc3ccccc3C#N)CCO2)c1	ZINC000112065915	524397975	/nfs/dbraw/zinc/39/79/75/524397975.db2.gz	PIEWOCWMZWLKGT-NVXWUHKLSA-N	0	0	354.410	1.758	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cn1	ZINC000158606990	524497317	/nfs/dbraw/zinc/49/73/17/524497317.db2.gz	ZYLFOQHRTHWDMM-WBMJQRKESA-N	0	0	365.361	1.728	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](Oc3cccnc3)C2)cc1	ZINC000152206056	524812337	/nfs/dbraw/zinc/81/23/37/524812337.db2.gz	GFNVQKQXYBWBEC-KRWDZBQOSA-N	0	0	357.435	1.880	10	30		FDEERN
CCCn1cc(CN2CCCN(S(=O)(=O)CCCC#N)CC2)cn1	ZINC000153275374	525165670	/nfs/dbraw/zinc/16/56/70/525165670.db2.gz	HEMFHLNSBCECAF-UHFFFAOYSA-N	0	0	353.492	1.434	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1	ZINC000177535989	525306901	/nfs/dbraw/zinc/30/69/01/525306901.db2.gz	AFZYAJLPOHOPPP-LSDHHAIUSA-N	0	0	360.458	1.521	10	30		FDEERN
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000128133378	525508133	/nfs/dbraw/zinc/50/81/33/525508133.db2.gz	NXXNXMBQHHQGLA-CYBMUJFWSA-N	0	0	353.382	1.013	10	30		FDEERN
C[C@H]1CC[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)O1	ZINC000128714806	525572847	/nfs/dbraw/zinc/57/28/47/525572847.db2.gz	AVIUVLBYVZDFJN-SUMWQHHRSA-N	0	0	353.426	1.942	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(c2nc(C)cc(OCC)n2)CC1	ZINC000106153647	525637133	/nfs/dbraw/zinc/63/71/33/525637133.db2.gz	NOWLLPXPQVETER-QGZVFWFLSA-N	0	0	373.501	1.895	10	30		FDEERN
N#CCCN(C(=O)CN1CCO[C@H](Cn2cccn2)C1)c1ccccc1	ZINC000106193398	525664178	/nfs/dbraw/zinc/66/41/78/525664178.db2.gz	VKSIRWJZNGOSDF-SFHVURJKSA-N	0	0	353.426	1.531	10	30		FDEERN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@@H](C)C(=O)OC(C)(C)C)CC1	ZINC000180703926	525743455	/nfs/dbraw/zinc/74/34/55/525743455.db2.gz	YMESDULFIGYRNH-JKSUJKDBSA-N	0	0	366.506	1.341	10	30		FDEERN
N#Cc1ccc(N2CCN(c3cc(N4CCC[C@@H]4CO)ncn3)CC2)nc1	ZINC000171859285	526154166	/nfs/dbraw/zinc/15/41/66/526154166.db2.gz	VXSKBXVTVMOPSX-MRXNPFEDSA-N	0	0	365.441	1.031	10	30		FDEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)CC2	ZINC000171860704	526155427	/nfs/dbraw/zinc/15/54/27/526155427.db2.gz	IUCZHINVHCOSOF-HNNXBMFYSA-N	0	0	353.426	1.978	10	30		FDEERN
C[C@H](Oc1ccccc1C#N)C(=O)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000109658380	526156999	/nfs/dbraw/zinc/15/69/99/526156999.db2.gz	HHJGQURADZRWIE-INIZCTEOSA-N	0	0	367.453	1.794	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3ccc(C#N)cc3)CCO2)n1	ZINC000171900599	526173359	/nfs/dbraw/zinc/17/33/59/526173359.db2.gz	GPPOVLFLWQPHHH-GOSISDBHSA-N	0	0	353.426	1.982	10	30		FDEERN
Cn1nccc1C[NH+]=C([O-])NC[C@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000328616673	527605917	/nfs/dbraw/zinc/60/59/17/527605917.db2.gz	BZZXLWSVRSWRNI-SNVBAGLBSA-N	0	0	356.352	1.902	10	30		FDEERN
C[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1N1CCOCC1	ZINC000246354168	536933717	/nfs/dbraw/zinc/93/37/17/536933717.db2.gz	GFFMAIMUUISQQV-SUMWQHHRSA-N	0	0	362.861	1.803	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1N1CCOCC1	ZINC000246517406	536971523	/nfs/dbraw/zinc/97/15/23/536971523.db2.gz	OFAHVQJINNTRIG-BLLLJJGKSA-N	0	0	353.419	1.039	10	30		FDEERN
CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)C(N)=O	ZINC000189532859	537061479	/nfs/dbraw/zinc/06/14/79/537061479.db2.gz	KYDQDXNZDYUYPY-SFHVURJKSA-N	0	0	363.417	1.651	10	30		FDEERN
CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)NC[C@@H](C)C#N)CC1	ZINC000190152245	537147132	/nfs/dbraw/zinc/14/71/32/537147132.db2.gz	WLSDUCKNNBHILA-AWEZNQCLSA-N	0	0	352.479	1.984	10	30		FDEERN
CCOCCN1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000247733345	537147260	/nfs/dbraw/zinc/14/72/60/537147260.db2.gz	MLDXUZCCWYLYCM-VQIMIIECSA-N	0	0	356.470	1.706	10	30		FDEERN
CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CCO2)cn1	ZINC000190510420	537175942	/nfs/dbraw/zinc/17/59/42/537175942.db2.gz	GEMHJPAQMXSPDI-INIZCTEOSA-N	0	0	371.372	1.452	10	30		FDEERN
C[C@@H]1C(=O)NCCCN1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000191438242	537205594	/nfs/dbraw/zinc/20/55/94/537205594.db2.gz	SJBYXJNZHBWSRN-GFCCVEGCSA-N	0	0	353.344	1.977	10	30		FDEERN
CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C#N)cn2)CC1	ZINC000191904153	537214637	/nfs/dbraw/zinc/21/46/37/537214637.db2.gz	AFONAQAXLLETFL-UHFFFAOYSA-N	0	0	358.442	1.831	10	30		FDEERN
N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCCC[C@H]3O)C2=O)cc1	ZINC000249041366	537225845	/nfs/dbraw/zinc/22/58/45/537225845.db2.gz	NFJHBAPGHNSAFR-FGTMMUONSA-N	0	0	370.453	1.509	10	30		FDEERN
Cn1cc([C@@H]2CS(=O)(=O)CCN2Cc2ccc(Cl)cc2C#N)cn1	ZINC000285267767	537674412	/nfs/dbraw/zinc/67/44/12/537674412.db2.gz	JKTCPLXWSKGSNW-INIZCTEOSA-N	0	0	364.858	1.917	10	30		FDEERN
CC(=O)N[C@H](C)c1ccc2nc(N3CC(OS(C)(=O)=O)C3)oc2c1	ZINC000584591096	551523216	/nfs/dbraw/zinc/52/32/16/551523216.db2.gz	RQTNERNOANSHNM-SECBINFHSA-N	0	0	353.400	1.190	10	30		FDEERN
Cc1n[nH]cc1CNC(=O)N1CCC[C@H](N(C)Cc2nccc(N)n2)CC1	ZINC000328656984	571137516	/nfs/dbraw/zinc/13/75/16/571137516.db2.gz	ZWEYGJJRBSZITO-HNNXBMFYSA-N	0	0	372.477	1.491	10	30		FDEERN
CC(C)C[C@H](C=O)NC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C	ZINC000013493523	571321359	/nfs/dbraw/zinc/32/13/59/571321359.db2.gz	WSJWUIDLGZAXID-GDBMZVCRSA-N	0	0	372.462	1.858	10	30		FDEERN
CC(=O)N1CCc2c(ncn(CCCOc3ccc(C#N)cc3)c2=O)C1	ZINC000328628902	571325011	/nfs/dbraw/zinc/32/50/11/571325011.db2.gz	ODUDEKCGWRJBBW-UHFFFAOYSA-N	0	0	352.394	1.489	10	30		FDEERN
O=C(N[C@H]1COc2ccccc21)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1	ZINC000329217302	676626013	/nfs/dbraw/zinc/62/60/13/676626013.db2.gz	PXSSTJOQABDIPD-IFIJOSMWSA-N	0	0	366.439	1.360	10	30		FDEERN
Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(N)=S)CCC2	ZINC000040824473	205081220	/nfs/dbraw/zinc/08/12/20/205081220.db2.gz	QKTBYCNOXFJWSA-CIAFOILYSA-N	0	0	357.439	1.787	10	30		FDEERN
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@]2(O)CCc3ccccc32)n1	ZINC000091251558	172282036	/nfs/dbraw/zinc/28/20/36/172282036.db2.gz	SRVQNEQQMWPORU-IBGZPJMESA-N	0	0	367.409	1.224	10	30		FDEERN
COCCN1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1C	ZINC000125527474	173009447	/nfs/dbraw/zinc/00/94/47/173009447.db2.gz	FPSPRIGYQSTJKM-LLVKDONJSA-N	0	0	359.398	1.178	10	30		FDEERN
N#Cc1ccc([C@H](O)CN2CCN(C[C@H](O)c3ccccc3)CC2)cc1	ZINC000127428358	173075709	/nfs/dbraw/zinc/07/57/09/173075709.db2.gz	IKCZFLVRZHBKJO-LEWJYISDSA-N	0	0	351.450	1.943	10	30		FDEERN
CCOc1cc(C)nc(N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000127458547	173078002	/nfs/dbraw/zinc/07/80/02/173078002.db2.gz	OLZRWINVJGGRMH-GOSISDBHSA-N	0	0	367.453	1.911	10	30		FDEERN
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCCn2ncnc21	ZINC000177539349	174140169	/nfs/dbraw/zinc/14/01/69/174140169.db2.gz	HBGFPXWDRZVAEF-CQSZACIVSA-N	0	0	355.398	1.969	10	30		FDEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1	ZINC000180977623	174199267	/nfs/dbraw/zinc/19/92/67/174199267.db2.gz	VFDZILWZHGSNDT-GFCCVEGCSA-N	0	0	365.846	1.904	10	30		FDEERN
N#Cc1ccc(-c2nnc(CN3CCO[C@@H](Cn4cccn4)C3)o2)cc1	ZINC000173694314	258307793	/nfs/dbraw/zinc/30/77/93/258307793.db2.gz	SDBGKCSMXORNEH-MRXNPFEDSA-N	0	0	350.382	1.706	10	30		FDEERN
C[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)C[C@H]1N1CCOCC1	ZINC000173863640	258313374	/nfs/dbraw/zinc/31/33/74/258313374.db2.gz	FAKWKHLYXGKLGL-MAUKXSAKSA-N	0	0	359.495	1.971	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1Cl	ZINC000173998135	258316866	/nfs/dbraw/zinc/31/68/66/258316866.db2.gz	NVUHGWINYKSTSZ-ZDUSSCGKSA-N	0	0	355.847	1.307	10	30		FDEERN
CC[C@@H](O)CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000184623324	258382941	/nfs/dbraw/zinc/38/29/41/258382941.db2.gz	REEZYWGPZHZWPO-MRXNPFEDSA-N	0	0	369.429	1.059	10	30		FDEERN
N#Cc1ccc(NCC(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)nc1	ZINC000299744831	259020297	/nfs/dbraw/zinc/02/02/97/259020297.db2.gz	QDRCUUQKIUAEGF-HNNXBMFYSA-N	0	0	351.414	1.525	10	30		FDEERN
Cc1cc(N2CCN(c3nnnn3-c3ccccc3)CC2)c(C#N)c(C)n1	ZINC000301784070	259033505	/nfs/dbraw/zinc/03/35/05/259033505.db2.gz	OFALXHKCZHYDST-UHFFFAOYSA-N	0	0	360.425	1.872	10	30		FDEERN
N#Cc1cccc([C@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)CCO2)c1	ZINC000330328124	259139899	/nfs/dbraw/zinc/13/98/99/259139899.db2.gz	LKFLMVWQWQFZLN-NVXWUHKLSA-N	0	0	352.394	1.999	10	30		FDEERN
NS(=O)(=O)c1ccc(N=NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1	ZINC000009137474	263359448	/nfs/dbraw/zinc/35/94/48/263359448.db2.gz	DOTLGZABYYOANA-FRKPEAEDSA-N	0	0	364.339	1.417	10	30		FDEERN
C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@H]1C/C=C1/C(=O)OC[C@@H]1O	ZINC000009213568	518499726	/nfs/dbraw/zinc/49/97/26/518499726.db2.gz	BOJKULTULYSRAS-ONPMXPCUSA-N	0	0	350.455	1.963	10	30		FDEERN
CN(C)C(=O)CN1CCCN(CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000073571089	522551470	/nfs/dbraw/zinc/55/14/70/522551470.db2.gz	WMRCCCVZJQMZMQ-UHFFFAOYSA-N	0	0	371.485	1.029	10	30		FDEERN
Cc1cc(N2CCN(c3c(F)cc(C#N)cc3F)CC2)n2ncnc2n1	ZINC000080971415	523924173	/nfs/dbraw/zinc/92/41/73/523924173.db2.gz	NZTSYNOHXQPAFD-UHFFFAOYSA-N	0	0	355.352	1.909	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)Cc3cccc(C#N)c3)CCO2)n1	ZINC000111344882	524266268	/nfs/dbraw/zinc/26/62/68/524266268.db2.gz	YPHYZALXNRXOFV-GOSISDBHSA-N	0	0	374.466	1.602	10	30		FDEERN
Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H](N3CCOCC3)C2)cc1C	ZINC000173987647	524498657	/nfs/dbraw/zinc/49/86/57/524498657.db2.gz	NWRWMJJETOGPEC-FQEVSTJZSA-N	0	0	370.497	1.957	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NC(=O)COc1ccc(C#N)cc1OC)CC2	ZINC000114865988	524897537	/nfs/dbraw/zinc/89/75/37/524897537.db2.gz	YPBIEQRWCVKDKJ-CYBMUJFWSA-N	0	0	355.398	1.231	10	30		FDEERN
COCc1cc(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)ncn1	ZINC000093318035	524982429	/nfs/dbraw/zinc/98/24/29/524982429.db2.gz	FZGDATAMEMYQDZ-KRWDZBQOSA-N	0	0	366.425	1.865	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1CC	ZINC000116899353	525247252	/nfs/dbraw/zinc/24/72/52/525247252.db2.gz	TVBAGSHZRIGBAL-GOSISDBHSA-N	0	0	365.499	1.821	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1CC	ZINC000116899069	525247350	/nfs/dbraw/zinc/24/73/50/525247350.db2.gz	LIOXLAVCWANUCB-MRXNPFEDSA-N	0	0	351.472	1.680	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)n1	ZINC000127160070	525389725	/nfs/dbraw/zinc/38/97/25/525389725.db2.gz	LWJDZHCUDAOCCH-AWEZNQCLSA-N	0	0	369.425	1.728	10	30		FDEERN
Cc1cnn(CCNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1	ZINC000117816587	525397300	/nfs/dbraw/zinc/39/73/00/525397300.db2.gz	DTZBKGCHFSPJAM-UHFFFAOYSA-N	0	0	351.414	1.472	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1	ZINC000178532833	525443973	/nfs/dbraw/zinc/44/39/73/525443973.db2.gz	GGMHTTQZXWJJPN-INIZCTEOSA-N	0	0	368.414	1.641	10	30		FDEERN
CNC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C(C)C	ZINC000178874439	525495734	/nfs/dbraw/zinc/49/57/34/525495734.db2.gz	ZVCCDCZDLZRZPY-GFCCVEGCSA-N	0	0	363.361	1.626	10	30		FDEERN
C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H]1N1CCOCC1	ZINC000164421106	525504997	/nfs/dbraw/zinc/50/49/97/525504997.db2.gz	CBYFOTSFXUUNEK-CRAIPNDOSA-N	0	0	357.454	1.895	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(CC(=O)Nc3sccc3C#N)CC2)n1	ZINC000106138384	525627656	/nfs/dbraw/zinc/62/76/56/525627656.db2.gz	LYRIKEAIOFLRQK-GFCCVEGCSA-N	0	0	374.470	1.882	10	30		FDEERN
COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)Oc1ccccc1C#N	ZINC000155308561	525817574	/nfs/dbraw/zinc/81/75/74/525817574.db2.gz	HGFUEQLKUDLFNN-GXTWGEPZSA-N	0	0	355.398	1.715	10	30		FDEERN
Cc1nc(CN2CCCN(C(=O)COc3ccccc3C#N)CC2)no1	ZINC000109922948	526206719	/nfs/dbraw/zinc/20/67/19/526206719.db2.gz	RRRBZVUTIFBTDT-UHFFFAOYSA-N	0	0	355.398	1.363	10	30		FDEERN
CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2C#N)C12CCOCC2	ZINC000185148265	536200266	/nfs/dbraw/zinc/20/02/66/536200266.db2.gz	RTOOQMHJPIXKQK-HZPDHXFCSA-N	0	0	350.440	1.811	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1OC)CC2	ZINC000185644842	536214333	/nfs/dbraw/zinc/21/43/33/536214333.db2.gz	WCAYWTRKPCZMHL-GFCCVEGCSA-N	0	0	361.427	1.014	10	30		FDEERN
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1	ZINC000377114901	537955402	/nfs/dbraw/zinc/95/54/02/537955402.db2.gz	NVWNMKLITJJJKH-DGCLKSJQSA-N	0	0	353.448	1.605	10	30		FDEERN
Cn1cc([C@H]2[C@H](CNc3c(C#N)nnc4ccccc43)CC(=O)N2C)cn1	ZINC000328609229	571324149	/nfs/dbraw/zinc/32/41/49/571324149.db2.gz	CNGIBPOMLUHFAV-HXPMCKFVSA-N	0	0	361.409	1.866	10	30		FDEERN
N#CCc1ccc(S(=O)(=O)N2CC[C@](O)(c3nc(C4CC4)no3)C2)cc1	ZINC000328610747	571324158	/nfs/dbraw/zinc/32/41/58/571324158.db2.gz	JBPWWWHOPOPQTB-QGZVFWFLSA-N	0	0	374.422	1.295	10	30		FDEERN
O=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@@H]1COc2ccccc21	ZINC000328748148	676605056	/nfs/dbraw/zinc/60/50/56/676605056.db2.gz	PMKHJWCUEFJRFR-CRAIPNDOSA-N	0	0	363.483	1.832	10	30		FDEERN
C[C@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000374459660	678082878	/nfs/dbraw/zinc/08/28/78/678082878.db2.gz	CXPIAQHYECXAOW-KGLIPLIRSA-N	0	0	366.491	1.478	10	30		FDEERN
C[C@@H](CN(C)C(=O)c1cccc(I)c1)/C(N)=N/O	ZINC000042459279	205096182	/nfs/dbraw/zinc/09/61/82/205096182.db2.gz	AUZPUVRUSVBGDW-QMMMGPOBSA-N	0	0	361.183	1.746	10	30		FDEERN
N#CCN(CC#N)c1ncnc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]	ZINC000040617944	205073849	/nfs/dbraw/zinc/07/38/49/205073849.db2.gz	CJWIQRFODAOWOK-UHFFFAOYSA-N	0	0	354.286	1.890	10	30		FDEERN
N=C(NN=Cc1cccc([N+](=O)[O-])c1)NN=Cc1cccc([N+](=O)[O-])c1	ZINC000048532942	205163969	/nfs/dbraw/zinc/16/39/69/205163969.db2.gz	BWATXXDGMLGWBU-BUOZRGFLSA-N	0	0	355.314	1.985	10	30		FDEERN
CNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(Cl)cc2)S1	ZINC000058945336	205278821	/nfs/dbraw/zinc/27/88/21/205278821.db2.gz	KPDYMGRSBBCTFV-KLIGIEKFSA-N	0	0	369.830	1.581	10	30		FDEERN
CC(C)n1cc([C@@]2(O)CCCN(c3nc4ccccn4c3C#N)C2)nn1	ZINC000284668757	182570687	/nfs/dbraw/zinc/57/06/87/182570687.db2.gz	WHOXUZOYSZHRGX-GOSISDBHSA-N	0	0	351.414	1.866	10	30		FDEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(Cn2cccn2)CC1	ZINC000172639957	258281818	/nfs/dbraw/zinc/28/18/18/258281818.db2.gz	DNRNRWGWELJHQU-UHFFFAOYSA-N	0	0	351.410	1.941	10	30		FDEERN
Cc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(C#N)c3)CC2)nc1	ZINC000076337032	172106506	/nfs/dbraw/zinc/10/65/06/172106506.db2.gz	NRKLKNLNVBRXPR-UHFFFAOYSA-N	0	0	363.421	1.985	10	30		FDEERN
COC[C@@H](C)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000103430049	172364424	/nfs/dbraw/zinc/36/44/24/172364424.db2.gz	CANXPSSEFJDKCV-GFCCVEGCSA-N	0	0	359.405	1.797	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)CCN2CCO[C@@H](c3nccs3)C2)c1	ZINC000128596813	173113953	/nfs/dbraw/zinc/11/39/53/173113953.db2.gz	LGRBCXHXKYNQFK-OAHLLOKOSA-N	0	0	363.464	1.862	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)NCc3ccc(C#N)cc3)C2=O)n(C)n1	ZINC000175155691	173989101	/nfs/dbraw/zinc/98/91/01/173989101.db2.gz	POKRLBIENHLGIR-INIZCTEOSA-N	0	0	366.425	1.595	10	30		FDEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000175870471	174033933	/nfs/dbraw/zinc/03/39/33/174033933.db2.gz	GESYRJNWDQVTBR-OAHLLOKOSA-N	0	0	366.429	1.220	10	30		FDEERN
Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3)C2)no1	ZINC000177588345	174142811	/nfs/dbraw/zinc/14/28/11/174142811.db2.gz	LTNFYVPIYBDMSC-AWEZNQCLSA-N	0	0	353.382	1.670	10	30		FDEERN
C[C@@H]1CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CC[C@H](C)[C@@H](O)C3)c2)C[C@@H]1O	ZINC000301963148	259037000	/nfs/dbraw/zinc/03/70/00/259037000.db2.gz	UOAQTNQSTWDUIM-QISBLDNZSA-N	0	0	374.441	1.881	10	30		FDEERN
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)C[C@H](OC(=O)/C(=C/C)CO)[C@@H]12	ZINC000253399809	518657807	/nfs/dbraw/zinc/65/78/07/518657807.db2.gz	JZJVLLYTTWUPBF-OYSUTVTPSA-N	0	0	362.422	1.982	10	30		FDEERN
C=CCOC(=O)C1=C(C)OC(=O)[C@]12c1ccccc1NC(N)=C2C(=O)OC	ZINC000020569115	518974083	/nfs/dbraw/zinc/97/40/83/518974083.db2.gz	BDJLETCDFLBMPP-LJQANCHMSA-N	0	0	370.361	1.253	10	30		FDEERN
CCCCOC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2C(C)=O	ZINC000020583415	520703396	/nfs/dbraw/zinc/70/33/96/520703396.db2.gz	FCZIIXGFLNFDRK-HXUWFJFHSA-N	0	0	370.405	1.823	10	30		FDEERN
CC(C)Cn1c2nc(C3CC3)cc(C(=O)N[C@H](C)C#N)c2c(=O)[nH]c1=O	ZINC000068924768	521762068	/nfs/dbraw/zinc/76/20/68/521762068.db2.gz	GISXTBNNGHGNIA-SNVBAGLBSA-N	0	0	355.398	1.260	10	30		FDEERN
Cc1ccc2cc(CCC(=O)N3CCN(CCC#N)CC3)c(=O)[nH]c2c1	ZINC000065245581	522793013	/nfs/dbraw/zinc/79/30/13/522793013.db2.gz	ZRNINDNYTRGFKR-UHFFFAOYSA-N	0	0	352.438	1.827	10	30		FDEERN
Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](N3CCOCC3)C2)c1	ZINC000173930056	524487795	/nfs/dbraw/zinc/48/77/95/524487795.db2.gz	ODFYDZNHFVUBFA-IBGZPJMESA-N	0	0	370.497	1.957	10	30		FDEERN
Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](N3CCOCC3)C2)cc1C	ZINC000173987662	524498592	/nfs/dbraw/zinc/49/85/92/524498592.db2.gz	NWRWMJJETOGPEC-HXUWFJFHSA-N	0	0	370.497	1.957	10	30		FDEERN
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3c3ccco3)CC2)o1	ZINC000116289354	525128142	/nfs/dbraw/zinc/12/81/42/525128142.db2.gz	XUQPCSBYKMVBBR-INIZCTEOSA-N	0	0	369.425	1.933	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1CC	ZINC000116899099	525247057	/nfs/dbraw/zinc/24/70/57/525247057.db2.gz	BMYBOYNXIKSXAA-MRXNPFEDSA-N	0	0	351.472	1.680	10	30		FDEERN
COCCN1CCN(C(=O)CCc2c(C)nn(CCC#N)c2C)C[C@@H]1C	ZINC000117292914	525307495	/nfs/dbraw/zinc/30/74/95/525307495.db2.gz	HSEPSQWFPYOAAB-HNNXBMFYSA-N	0	0	361.490	1.525	10	30		FDEERN
COC(=O)CN(CC#N)C[C@H](O)COc1cccc(Br)c1	ZINC000177616522	525320200	/nfs/dbraw/zinc/32/02/00/525320200.db2.gz	SETANOIPLIRPBT-LBPRGKRZSA-N	0	0	357.204	1.187	10	30		FDEERN
CC[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CCN1CCOC	ZINC000117372626	525332705	/nfs/dbraw/zinc/33/27/05/525332705.db2.gz	CWANKEMRYNCECU-KRWDZBQOSA-N	0	0	351.472	1.431	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@H](C)N1CCN(c2cc(C)nc3ncnn32)CC1	ZINC000126724350	525345808	/nfs/dbraw/zinc/34/58/08/525345808.db2.gz	BUYXUSSTEDMPFE-INIZCTEOSA-N	0	0	369.473	1.144	10	30		FDEERN
CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C[C@@H]1CC	ZINC000178516583	525441141	/nfs/dbraw/zinc/44/11/41/525441141.db2.gz	QOFNXQHLQILTLM-KRWDZBQOSA-N	0	0	372.469	1.765	10	30		FDEERN
CNC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(C)C	ZINC000178926451	525507022	/nfs/dbraw/zinc/50/70/22/525507022.db2.gz	OXMSUCZEWKBSCI-GFCCVEGCSA-N	0	0	363.361	1.626	10	30		FDEERN
CN(c1cccnn1)C1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000106084887	525569510	/nfs/dbraw/zinc/56/95/10/525569510.db2.gz	BOPPOKWZPCNGBX-UHFFFAOYSA-N	0	0	350.426	1.888	10	30		FDEERN
CC(C)(C)OC(=O)N[C@H]1Cc2cn(C(=O)OC(C)(C)C)nc2N(O)C1=O	ZINC000166323311	525579353	/nfs/dbraw/zinc/57/93/53/525579353.db2.gz	ROMXOXKKHDKTSP-JTQLQIEISA-N	0	0	368.390	1.838	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)n1	ZINC000106133414	525624209	/nfs/dbraw/zinc/62/42/09/525624209.db2.gz	XSFRZZZOZYTUKU-UONOGXRCSA-N	0	0	368.441	1.956	10	30		FDEERN
CN1CCO[C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1	ZINC000170683735	525677543	/nfs/dbraw/zinc/67/75/43/525677543.db2.gz	BUWVDYUGUPKVHB-KRWDZBQOSA-N	0	0	355.394	1.791	10	30		FDEERN
CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	ZINC000106382415	525708113	/nfs/dbraw/zinc/70/81/13/525708113.db2.gz	SVEBILVFMHQNKO-MDMSPXHWSA-N	0	0	361.479	1.087	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1	ZINC000131121406	525830225	/nfs/dbraw/zinc/83/02/25/525830225.db2.gz	VFZCTYBUVQIEGA-KRWDZBQOSA-N	0	0	366.421	1.821	10	30		FDEERN
C=CCNC(=O)CNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000181621480	525881294	/nfs/dbraw/zinc/88/12/94/525881294.db2.gz	QTHHIDYIBNMNFG-JRQWYPPZSA-N	0	0	373.497	1.612	10	30		FDEERN
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000181809161	525939954	/nfs/dbraw/zinc/93/99/54/525939954.db2.gz	OTAPRZYADAGYRT-UONOGXRCSA-N	0	0	367.409	1.666	10	30		FDEERN
CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCCCC#N	ZINC000171594065	526041146	/nfs/dbraw/zinc/04/11/46/526041146.db2.gz	PWRNPBCEVJKMQG-HNNXBMFYSA-N	0	0	362.455	1.560	10	30		FDEERN
Cc1noc(C[NH+]=C([O-])NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)n1	ZINC000328618696	526613758	/nfs/dbraw/zinc/61/37/58/526613758.db2.gz	DXPRWOHVMQJZSA-SECBINFHSA-N	0	0	358.324	1.860	10	30		FDEERN
Cc1nnc([C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CCO2)[nH]1	ZINC000184965997	536194579	/nfs/dbraw/zinc/19/45/79/536194579.db2.gz	JNYNSNPQQSQBTF-GFCCVEGCSA-N	0	0	367.818	1.400	10	30		FDEERN
Cc1noc([C@@H]2COCCN2CC(=O)Nc2cc(Cl)ccc2C#N)n1	ZINC000185072452	536197433	/nfs/dbraw/zinc/19/74/33/536197433.db2.gz	ILRBUQRDLMYBLL-AWEZNQCLSA-N	0	0	361.789	1.915	10	30		FDEERN
CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C12CCOCC2	ZINC000185150358	536200445	/nfs/dbraw/zinc/20/04/45/536200445.db2.gz	WZWAZFNKBKTZKN-CVEARBPZSA-N	0	0	368.430	1.950	10	30		FDEERN
COC(=O)[C@@]1(C)CCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000186401154	536233859	/nfs/dbraw/zinc/23/38/59/536233859.db2.gz	FLBYHLUIQMWAKR-LJQANCHMSA-N	0	0	367.409	1.710	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)c3cccc(F)c3C#N)C2=O)n(C)n1	ZINC000188339926	536290715	/nfs/dbraw/zinc/29/07/15/536290715.db2.gz	HHFBBPDQJUJSPD-HNNXBMFYSA-N	0	0	355.373	1.665	10	30		FDEERN
C[C@@H]1CN([C@H](CNS(=O)(=O)CCCC#N)c2cccs2)CCO1	ZINC000246283486	536917400	/nfs/dbraw/zinc/91/74/00/536917400.db2.gz	AAHIDNJPOPZIFA-ZIAGYGMSSA-N	0	0	357.501	1.733	10	30		FDEERN
N#Cc1c(F)cccc1C(=O)N1CCN(c2ccc3nncn3n2)CC1	ZINC000189692504	537082321	/nfs/dbraw/zinc/08/23/21/537082321.db2.gz	DDABOZHACFUMBK-UHFFFAOYSA-N	0	0	351.345	1.097	10	30		FDEERN
N#Cc1ccc(Oc2ccc3nc(C(=O)NC(CO)CO)ccc3c2)cc1	ZINC000584630384	551524883	/nfs/dbraw/zinc/52/48/83/551524883.db2.gz	ZPLDVLBNNNFIRH-UHFFFAOYSA-N	0	0	363.373	1.982	10	30		FDEERN
C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)C[C@@H]3C=C(C[C@H](OC(=O)C=C(C)C)[C@@H]12)C(=O)O3	ZINC000004098061	560195215	/nfs/dbraw/zinc/19/52/15/560195215.db2.gz	HSTUUCOYVIWGLJ-DXUAHVLSSA-N	0	0	374.389	1.765	10	30	in-vitro	FDEERN
CC(=O)N[C@]1(c2noc(C)n2)CCN(c2nc(N)c3ccccc3n2)C1	ZINC000328611718	571135219	/nfs/dbraw/zinc/13/52/19/571135219.db2.gz	MODVSXJGUBFSHQ-QGZVFWFLSA-N	0	0	353.386	1.985	10	30		FDEERN
CC(C)n1cc(C[C@H]2NC(=O)N(CCOc3ccc(C#N)cc3)C2=O)nn1	ZINC000328610620	571324168	/nfs/dbraw/zinc/32/41/68/571324168.db2.gz	IQGJTWQYNLAWDJ-MRXNPFEDSA-N	0	0	368.397	1.477	10	30		FDEERN
CC(C)n1c(=O)n(CC(=O)NC2CCOCC2)nc1[C@H]1OCC[C@H]1C	ZINC000328633433	571325424	/nfs/dbraw/zinc/32/54/24/571325424.db2.gz	LZSRHCWCFZTNKS-DOMZBBRYSA-N	0	0	352.435	1.859	10	30		FDEERN
N#C[C@H](C(=O)[C@@H]1C[C@H]1C1CCCCC1)C(=O)N1CCS(=O)(=O)CC1	ZINC000174259980	672091802	/nfs/dbraw/zinc/09/18/02/672091802.db2.gz	HZOFYPDCVPGQMC-RRFJBIMHSA-N	0	0	352.456	1.169	10	30		FDEERN
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(C#N)c1	ZINC000192694381	672357886	/nfs/dbraw/zinc/35/78/86/672357886.db2.gz	QXRHPZNAKCAVEB-LLVKDONJSA-N	0	0	354.391	1.624	10	30		FDEERN
N#Cc1ccccc1S(=O)(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1	ZINC000263453558	672876098	/nfs/dbraw/zinc/87/60/98/672876098.db2.gz	BJHAKIPEWXDNNM-UHFFFAOYSA-N	0	0	363.439	1.164	10	30		FDEERN
C[N@+]1(CC(=O)[O-])CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1	ZINC000504172890	717183495	/nfs/dbraw/zinc/18/34/95/717183495.db2.gz	KTCKPDPJTAUEPP-QMMLZNLJSA-O	0	0	362.446	1.911	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])C1	ZINC000702807028	884230103	/nfs/dbraw/zinc/23/01/03/884230103.db2.gz	NEYGAVKTXUMPOZ-AAEUAGOBSA-N	0	0	363.374	1.501	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1N1CCOCC1	ZINC000246086353	178399871	/nfs/dbraw/zinc/39/98/71/178399871.db2.gz	IOUDDOQGAZADNM-IUODEOHRSA-N	0	0	353.419	1.039	10	30		FDEERN
C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	ZINC000004214177	204127336	/nfs/dbraw/zinc/12/73/36/204127336.db2.gz	WSVOMANDJDYYEY-CWNVBEKCSA-N	0	0	372.461	1.724	10	30	in-man	FDEERN
CNC(=O)[C@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(F)cc2)S1	ZINC000006179139	204239817	/nfs/dbraw/zinc/23/98/17/204239817.db2.gz	MHAOSFLCIDCPJR-FOTIKMNESA-N	0	0	353.375	1.066	10	30		FDEERN
CCOC(=O)c1ccc(Nc2ncnc(N(CC#N)CC#N)c2N)cc1	ZINC000040736588	205078768	/nfs/dbraw/zinc/07/87/68/205078768.db2.gz	IYDWBAQIYLIURM-UHFFFAOYSA-N	0	0	351.370	1.833	10	30		FDEERN
C[C@H](C/C(N)=N/O)N(C)S(=O)(=O)c1ccc(Br)s1	ZINC000063091822	205292405	/nfs/dbraw/zinc/29/24/05/205292405.db2.gz	GWZBXNIVFHJOCP-ZCFIWIBFSA-N	0	0	356.267	1.656	10	30		FDEERN
CCS(=O)(=O)ON1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000226858939	206123828	/nfs/dbraw/zinc/12/38/28/206123828.db2.gz	WNWZLKMQRZWCAN-UHFFFAOYSA-N	0	0	350.308	1.625	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C)CCO2)n1	ZINC000172675587	258282522	/nfs/dbraw/zinc/28/25/22/258282522.db2.gz	JWVAIGAKPVIAIS-QGZVFWFLSA-N	0	0	374.466	1.770	10	30		FDEERN
Cc1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000172676591	258282603	/nfs/dbraw/zinc/28/26/03/258282603.db2.gz	TYTMXISKPHKVEF-MRXNPFEDSA-N	0	0	371.466	1.946	10	30		FDEERN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1	ZINC000077386290	172126469	/nfs/dbraw/zinc/12/64/69/172126469.db2.gz	LRFAHIVUMLZOLO-HNNXBMFYSA-N	0	0	363.483	1.741	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)CCN2CCC(Cn3cccn3)CC2)c1	ZINC000128638735	173116138	/nfs/dbraw/zinc/11/61/38/173116138.db2.gz	AWXXELIWXXPTOQ-UHFFFAOYSA-N	0	0	358.467	1.941	10	30		FDEERN
Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3ccccc3C#N)C2)n1	ZINC000157669002	173624431	/nfs/dbraw/zinc/62/44/31/173624431.db2.gz	JWKMGXDZRGCUAC-OAHLLOKOSA-N	0	0	359.455	1.868	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1C)CC2	ZINC000178516899	174192734	/nfs/dbraw/zinc/19/27/34/174192734.db2.gz	XCNASOVMFBXFJP-CYBMUJFWSA-N	0	0	352.398	1.090	10	30		FDEERN
Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CCO2)[nH]1	ZINC000180040051	258361323	/nfs/dbraw/zinc/36/13/23/258361323.db2.gz	NJMKTCDBMZAAIE-GFCCVEGCSA-N	0	0	367.818	1.400	10	30		FDEERN
Cc1nnc([C@H]2CN(C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CCO2)[nH]1	ZINC000173550266	258303036	/nfs/dbraw/zinc/30/30/36/258303036.db2.gz	VKYACECMVGVDKP-SJORKVTESA-N	0	0	369.425	1.988	10	30		FDEERN
N#Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)ccc1Cl	ZINC000174009838	258317373	/nfs/dbraw/zinc/31/73/73/258317373.db2.gz	QMBSGIUHDOCLAZ-AWEZNQCLSA-N	0	0	362.817	1.083	10	30		FDEERN
N#Cc1nccnc1NCCC(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000301150850	259021924	/nfs/dbraw/zinc/02/19/24/259021924.db2.gz	DARGXVDCQUKYFS-UHFFFAOYSA-N	0	0	354.389	1.638	10	30		FDEERN
C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1cnn(Cc2ccccc2)c1	ZINC000301822546	259034227	/nfs/dbraw/zinc/03/42/27/259034227.db2.gz	HFRSVIUOHOQJJY-ZDUSSCGKSA-N	0	0	364.409	1.374	10	30		FDEERN
CC(=O)c1ccc(C#N)cc1N1CCN(c2ccc3nnc(C)n3n2)CC1	ZINC000302123260	259039219	/nfs/dbraw/zinc/03/92/19/259039219.db2.gz	VFTLZUYMMDKUKE-UHFFFAOYSA-N	0	0	361.409	1.834	10	30		FDEERN
CCCC(=O)N1CSC[C@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000329726653	259108890	/nfs/dbraw/zinc/10/88/90/259108890.db2.gz	GPORVHQFZHRCBB-INIZCTEOSA-N	0	0	359.451	1.849	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)n1	ZINC000111344439	518194236	/nfs/dbraw/zinc/19/42/36/518194236.db2.gz	MZIBXLNFGNEVJL-GFCCVEGCSA-N	0	0	361.427	1.317	10	30		FDEERN
CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(Br)C=CC(=O)[C@@H]3O5	ZINC000029395882	519291027	/nfs/dbraw/zinc/29/10/27/519291027.db2.gz	ASBUHTWFSUGVJA-ISWURRPUSA-N	0	0	362.223	1.924	10	30		FDEERN
C=CCNC(=O)c1ccc(N[C@H]2CCCN(c3cc(C)nn3C)C2=O)nc1	ZINC000078675254	523635561	/nfs/dbraw/zinc/63/55/61/523635561.db2.gz	RKHBYTUULBHGRK-HNNXBMFYSA-N	0	0	368.441	1.647	10	30		FDEERN
C#CCOc1ccc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)cc1	ZINC000172917656	524288842	/nfs/dbraw/zinc/28/88/42/524288842.db2.gz	PZHSCFSFHXAAGV-UHFFFAOYSA-N	0	0	354.410	1.738	10	30		FDEERN
Cc1ccc([C@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCO2)o1	ZINC000089266694	524482753	/nfs/dbraw/zinc/48/27/53/524482753.db2.gz	CDPPWLVMWQDUIC-PKOBYXMFSA-N	0	0	374.485	1.654	10	30		FDEERN
Cc1ccc(C#N)c(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1	ZINC000161291509	525073807	/nfs/dbraw/zinc/07/38/07/525073807.db2.gz	QLUWCFAAOXUKML-GOSISDBHSA-N	0	0	352.438	1.824	10	30		FDEERN
C[C@H](C#N)NC(=O)c1sccc1S(=O)(=O)NCc1cccs1	ZINC000161385603	525098068	/nfs/dbraw/zinc/09/80/68/525098068.db2.gz	IQGDLQLGGUINAI-SECBINFHSA-N	0	0	355.466	1.930	10	30		FDEERN
CC(C)[C@@]12O[C@@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2O	ZINC000097977836	525197187	/nfs/dbraw/zinc/19/71/87/525197187.db2.gz	DFBIRQPKNDILPW-YEQWTRPPSA-N	0	0	360.406	1.103	10	30		FDEERN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3cc[nH]n3)CC2)c1	ZINC000125813030	525238279	/nfs/dbraw/zinc/23/82/79/525238279.db2.gz	MXAPFDQHBNTLCY-UHFFFAOYSA-N	0	0	372.450	1.341	10	30		FDEERN
CNC(=O)[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)C	ZINC000178929905	525506732	/nfs/dbraw/zinc/50/67/32/525506732.db2.gz	IMTMOHZSIUCVAO-GFCCVEGCSA-N	0	0	374.260	1.370	10	30		FDEERN
N#C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CCO1	ZINC000106053617	525557240	/nfs/dbraw/zinc/55/72/40/525557240.db2.gz	SAJFECLNYIFAKO-HZPDHXFCSA-N	0	0	369.446	1.840	10	30		FDEERN
C[C@H]1CN([C@@H](CNS(=O)(=O)CC2(C#N)CC2)c2cccs2)CCO1	ZINC000165845734	525561703	/nfs/dbraw/zinc/56/17/03/525561703.db2.gz	XOAUEPXEHUINPA-KBPBESRZSA-N	0	0	369.512	1.733	10	30		FDEERN
N#CCCCS(=O)(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1	ZINC000128722902	525575113	/nfs/dbraw/zinc/57/51/13/525575113.db2.gz	DFIPYCXXYIDZSQ-UHFFFAOYSA-N	0	0	373.482	1.623	10	30		FDEERN
Cc1cnn(C[C@H]2CN(CCC(=O)Nc3ccc(C#N)cc3)CCO2)c1	ZINC000106199193	525668043	/nfs/dbraw/zinc/66/80/43/525668043.db2.gz	VEUQZKHKKSEZBN-GOSISDBHSA-N	0	0	353.426	1.793	10	30		FDEERN
CC(C)[C@H](O)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000155635127	525929440	/nfs/dbraw/zinc/92/94/40/525929440.db2.gz	OODUBNVCGINMER-QGZVFWFLSA-N	0	0	373.432	1.921	10	30		FDEERN
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000109658382	526156472	/nfs/dbraw/zinc/15/64/72/526156472.db2.gz	HHJGQURADZRWIE-MRXNPFEDSA-N	0	0	367.453	1.794	10	30		FDEERN
Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1	ZINC000183746633	536041209	/nfs/dbraw/zinc/04/12/09/536041209.db2.gz	SSOXHCRTVQCWML-CYBMUJFWSA-N	0	0	368.802	1.665	10	30		FDEERN
C=C(C)CS(=O)(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000184483567	536156317	/nfs/dbraw/zinc/15/63/17/536156317.db2.gz	UWIQDOFEUJWHFB-GOSISDBHSA-N	0	0	352.500	1.928	10	30		FDEERN
N#Cc1cccnc1-n1cc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cn1	ZINC000184576816	536166325	/nfs/dbraw/zinc/16/63/25/536166325.db2.gz	RNEVVDPLOLNGHB-MRXNPFEDSA-N	0	0	351.414	1.841	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1C	ZINC000184969971	536194423	/nfs/dbraw/zinc/19/44/23/536194423.db2.gz	SIMXDWIVYHEHDQ-MRXNPFEDSA-N	0	0	366.421	1.833	10	30		FDEERN
CCO[C@@H]1C[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)C12CCOCC2	ZINC000185151327	536200374	/nfs/dbraw/zinc/20/03/74/536200374.db2.gz	DLBDIWUYPWRWGU-DLBZAZTESA-N	0	0	364.467	1.952	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1	ZINC000188871764	536963127	/nfs/dbraw/zinc/96/31/27/536963127.db2.gz	QUJFNJAHNXHYQS-UHFFFAOYSA-N	0	0	365.437	1.074	10	30		FDEERN
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000248645231	537200819	/nfs/dbraw/zinc/20/08/19/537200819.db2.gz	GBNCLGUYKFIRRH-AZUAARDMSA-N	0	0	357.502	1.890	10	30		FDEERN
C=CC[C@H](CO)NC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1	ZINC000248667556	537203630	/nfs/dbraw/zinc/20/36/30/537203630.db2.gz	XCDGHZAWUHNZLL-RRFJBIMHSA-N	0	0	353.488	1.746	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)CCO2)n1	ZINC000252352837	537249432	/nfs/dbraw/zinc/24/94/32/537249432.db2.gz	OFKANMKFKFBZNW-QUCCMNQESA-N	0	0	370.453	1.512	10	30		FDEERN
CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1OS(C)(=O)=O	ZINC000215517606	537440130	/nfs/dbraw/zinc/44/01/30/537440130.db2.gz	IETHWOKVVDPXNT-WDEREUQCSA-N	0	0	351.421	1.151	10	30		FDEERN
CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)NC[C@H]2CCOC2)CC1	ZINC000328636187	571325524	/nfs/dbraw/zinc/32/55/24/571325524.db2.gz	NXMDHXNSORGRNL-GDBMZVCRSA-N	0	0	373.519	1.606	10	30		FDEERN
C=C(Br)CNC(=O)N1CCN(c2nccc(OCC)n2)CC1	ZINC000113605238	671647236	/nfs/dbraw/zinc/64/72/36/671647236.db2.gz	LUXZZDPNFFINNM-UHFFFAOYSA-N	0	0	370.251	1.616	10	30		FDEERN
C#CCOc1ccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000158601409	671981486	/nfs/dbraw/zinc/98/14/86/671981486.db2.gz	UWASRDIKNZJVGR-CYBMUJFWSA-N	0	0	358.419	1.837	10	30		FDEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1	ZINC000195042648	672393210	/nfs/dbraw/zinc/39/32/10/672393210.db2.gz	DFXWQBLEMBKTDA-MRXNPFEDSA-N	0	0	363.483	1.461	10	30		FDEERN
C=C(C)CS(=O)(=O)Nc1nc2ccccc2n1CCN1CCOCC1	ZINC000223441059	672412740	/nfs/dbraw/zinc/41/27/40/672412740.db2.gz	GPZFSNYSMIRGDL-UHFFFAOYSA-N	0	0	364.471	1.686	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000262445147	672790714	/nfs/dbraw/zinc/79/07/14/672790714.db2.gz	CLJMBRQSAZURAJ-UHFFFAOYSA-N	0	0	371.846	1.427	10	30		FDEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cc(C#N)ccc2C)C1	ZINC000189186703	177914049	/nfs/dbraw/zinc/91/40/49/177914049.db2.gz	JANLSQNUZDEUKQ-UONOGXRCSA-N	0	0	362.411	1.709	10	30		FDEERN
CCn1cc([C@H]2CN(C[C@H](O)COc3ccc(C#N)cc3)CCO2)cn1	ZINC000190726325	178018792	/nfs/dbraw/zinc/01/87/92/178018792.db2.gz	HUDOJEUBXXWLOR-PKOBYXMFSA-N	0	0	356.426	1.588	10	30		FDEERN
Cc1csc([C@H]2CN(S(=O)(=O)c3ccc(C#N)nc3)CCO2)n1	ZINC000193948150	178190048	/nfs/dbraw/zinc/19/00/48/178190048.db2.gz	PDRCRTMARPQWSY-CYBMUJFWSA-N	0	0	350.425	1.480	10	30		FDEERN
CC1(C)CN(C(=O)c2cccnc2)CC2(CN(c3cnc(C#N)cn3)C2)O1	ZINC000521398245	539517375	/nfs/dbraw/zinc/51/73/75/539517375.db2.gz	GBZSPQOPVKTBOT-UHFFFAOYSA-N	0	0	364.409	1.253	10	30		FDEERN
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000172676760	258282634	/nfs/dbraw/zinc/28/26/34/258282634.db2.gz	RGTLHZCSQFNXDO-CQSZACIVSA-N	0	0	359.455	1.875	10	30		FDEERN
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000177388863	174127662	/nfs/dbraw/zinc/12/76/62/174127662.db2.gz	IRALWAZLIJKTCW-MRXNPFEDSA-N	0	0	370.453	1.981	10	30		FDEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1	ZINC000180977645	174199218	/nfs/dbraw/zinc/19/92/18/174199218.db2.gz	VFDZILWZHGSNDT-LBPRGKRZSA-N	0	0	365.846	1.904	10	30		FDEERN
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1	ZINC000179868930	258359022	/nfs/dbraw/zinc/35/90/22/258359022.db2.gz	KCJDEEZWRMDFFA-OCCSQVGLSA-N	0	0	360.462	1.293	10	30		FDEERN
N#Cc1ccc(NC(=O)NC[C@H](O)CN2CCOCC2)cc1C(F)(F)F	ZINC000179882184	258359177	/nfs/dbraw/zinc/35/91/77/258359177.db2.gz	JSNGFMIIDGDAPM-ZDUSSCGKSA-N	0	0	372.347	1.392	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1N1CCOCC1	ZINC000180108722	258362169	/nfs/dbraw/zinc/36/21/69/258362169.db2.gz	LAOMGBDNOVCQGK-WFASDCNBSA-N	0	0	369.874	1.553	10	30		FDEERN
Cc1nc(CN2CCCN(Cc3cnc4ccc(C#N)cn34)CC2)no1	ZINC000179214329	258346269	/nfs/dbraw/zinc/34/62/69/258346269.db2.gz	DIOOKPJEKNDNRX-UHFFFAOYSA-N	0	0	351.414	1.605	10	30		FDEERN
C[C@@H](O)CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1C	ZINC000184632832	258382557	/nfs/dbraw/zinc/38/25/57/258382557.db2.gz	MTKSFBVGAKVLEO-ZIAGYGMSSA-N	0	0	369.429	1.058	10	30		FDEERN
CC(C)Cn1c2nc(C(C)C)cc(C(=O)N[C@H](C)C#N)c2c(=O)[nH]c1=O	ZINC000068924770	521762095	/nfs/dbraw/zinc/76/20/95/521762095.db2.gz	REEUZGBUSDJGAW-LLVKDONJSA-N	0	0	357.414	1.506	10	30		FDEERN
N#CCc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1	ZINC000069555466	521911919	/nfs/dbraw/zinc/91/19/19/521911919.db2.gz	NYRZKQIVLBJJIC-KRWDZBQOSA-N	0	0	362.389	1.613	10	30		FDEERN
CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCOc1ccc(C#N)cc1	ZINC000074736681	522828698	/nfs/dbraw/zinc/82/86/98/522828698.db2.gz	UNQKYUQBBBCXAQ-QGZVFWFLSA-N	0	0	358.442	1.979	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2C)C[C@@H]1CC	ZINC000172676409	524261005	/nfs/dbraw/zinc/26/10/05/524261005.db2.gz	LTFRSRKSQWYMKY-KRWDZBQOSA-N	0	0	365.499	1.988	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cccc(C#N)c3)CCO2)n1	ZINC000111344864	524265990	/nfs/dbraw/zinc/26/59/90/524265990.db2.gz	WESXKLWVMHTILJ-MRXNPFEDSA-N	0	0	360.439	1.461	10	30		FDEERN
C[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N)N1CCOCC1	ZINC000121465394	524266509	/nfs/dbraw/zinc/26/65/09/524266509.db2.gz	ILJNRDLGTYQZKZ-CQSZACIVSA-N	0	0	369.469	1.367	10	30		FDEERN
CCn1cc(CN2CCCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1	ZINC000112707548	524546551	/nfs/dbraw/zinc/54/65/51/524546551.db2.gz	RQHFDKKOMAOBPL-UHFFFAOYSA-N	0	0	373.482	1.671	10	30		FDEERN
C=CCCOCCNC(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1	ZINC000122509411	524553147	/nfs/dbraw/zinc/55/31/47/524553147.db2.gz	JTPIQFMMEOILAN-CQSZACIVSA-N	0	0	351.451	1.613	10	30		FDEERN
C#CCOc1ccc(Br)cc1[C@@H]1NC(=O)[C@H]2COCCN21	ZINC000093883210	525004381	/nfs/dbraw/zinc/00/43/81/525004381.db2.gz	VVQWCIDOGZCCJU-TZMCWYRMSA-N	0	0	351.200	1.290	10	30		FDEERN
N#C[C@@H]1CN(C(=O)N[C@@H]2CCCn3ncnc32)CCN1Cc1ccccc1	ZINC000176600454	525150773	/nfs/dbraw/zinc/15/07/73/525150773.db2.gz	NIRNAVGUCJFODT-IAGOWNOFSA-N	0	0	365.441	1.533	10	30		FDEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3cc[nH]n3)CC2)c1	ZINC000125831983	525241805	/nfs/dbraw/zinc/24/18/05/525241805.db2.gz	GKJFVCMLSZSADZ-UHFFFAOYSA-N	0	0	374.466	1.894	10	30		FDEERN
COCCN1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1C	ZINC000117294863	525309520	/nfs/dbraw/zinc/30/95/20/525309520.db2.gz	CJOIXQXDJSFSTH-CQSZACIVSA-N	0	0	368.441	1.119	10	30		FDEERN
C#CCSCCNC(=O)[C@@H]1CCC[C@@H]1C(=O)NCCSCC#C	ZINC000163239439	525381608	/nfs/dbraw/zinc/38/16/08/525381608.db2.gz	HCFWOANSJOLSHI-GASCZTMLSA-N	0	0	352.525	1.368	10	30		FDEERN
Cc1ccc(N2CCCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)nn1	ZINC000106074489	525564909	/nfs/dbraw/zinc/56/49/09/525564909.db2.gz	VSODYNRRGMINRX-UHFFFAOYSA-N	0	0	370.501	1.982	10	30		FDEERN
CCOc1ccnc(N2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)n1	ZINC000106153254	525637002	/nfs/dbraw/zinc/63/70/02/525637002.db2.gz	ACCYJWSCPAPZJR-UHFFFAOYSA-N	0	0	372.473	1.340	10	30		FDEERN
C=CCn1c2nnc(SCC(=O)N[C@H]3C[C@H]3C)n2c2ccccc2c1=O	ZINC000171070402	525824726	/nfs/dbraw/zinc/82/47/26/525824726.db2.gz	ICWAPBQPMFKPLH-YPMHNXCESA-N	0	0	369.450	1.847	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCn2nc(CC)nc21	ZINC000185021304	536196071	/nfs/dbraw/zinc/19/60/71/536196071.db2.gz	ARYSNKZHORVOTD-AWEZNQCLSA-N	0	0	367.409	1.442	10	30		FDEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000189341660	537030466	/nfs/dbraw/zinc/03/04/66/537030466.db2.gz	GYZNTOSNBDBRPY-BHYGNILZSA-N	0	0	358.398	1.451	10	30		FDEERN
C=CCNC(=O)NC(=O)CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000246817562	537032914	/nfs/dbraw/zinc/03/29/14/537032914.db2.gz	UCZCORQDKXWDQM-KBPBESRZSA-N	0	0	371.359	1.825	10	30		FDEERN
CC(C)(CC#N)CS(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1	ZINC000263458685	537034054	/nfs/dbraw/zinc/03/40/54/537034054.db2.gz	CVWYEGRUZFQXFY-UHFFFAOYSA-N	0	0	357.476	1.173	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2C)C[C@H]1C	ZINC000247138504	537086706	/nfs/dbraw/zinc/08/67/06/537086706.db2.gz	XSVRSPNOVROUJO-OAHLLOKOSA-N	0	0	351.472	1.598	10	30		FDEERN
N#Cc1ccc(N2CC[C@H](N3CCCN(c4cccnn4)CC3)C2=O)cc1	ZINC000247586412	537138342	/nfs/dbraw/zinc/13/83/42/537138342.db2.gz	JCAIFXFFWHVGEJ-SFHVURJKSA-N	0	0	362.437	1.666	10	30		FDEERN
C[C@H](C(=O)N(C)CCC#N)N(C)C[C@H](c1cccs1)N1CCOCC1	ZINC000247780036	537149575	/nfs/dbraw/zinc/14/95/75/537149575.db2.gz	RPVSZABXHGFSAW-HZPDHXFCSA-N	0	0	364.515	1.814	10	30		FDEERN
COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CNC(=O)C3)c2)c1	ZINC000194787070	537331825	/nfs/dbraw/zinc/33/18/25/537331825.db2.gz	JXBIFKLHLZVYJN-KRWDZBQOSA-N	0	0	362.385	1.948	10	30		FDEERN
Cn1cc([C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3C#N)CCO2)cn1	ZINC000328608889	571324058	/nfs/dbraw/zinc/32/40/58/571324058.db2.gz	BOPPXDNXEUKSPH-AWEZNQCLSA-N	0	0	366.830	1.707	10	30		FDEERN
C=CCn1c(-c2ccco2)nn(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1=S	ZINC000120254384	671686689	/nfs/dbraw/zinc/68/66/89/671686689.db2.gz	ISLXMWNEBKWODG-YPMHNXCESA-N	0	0	363.443	1.392	10	30		FDEERN
CC(C)(C)OC(=O)N1CCCC[C@@]1(C)C(=O)N1CCN(CC#N)CC1	ZINC000182041213	672206463	/nfs/dbraw/zinc/20/64/63/672206463.db2.gz	PBODQYLNHRAFKR-SFHVURJKSA-N	0	0	350.463	1.834	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(C#N)cc2C)C1	ZINC000262452455	672792157	/nfs/dbraw/zinc/79/21/57/672792157.db2.gz	GANFCFVRCXBHQD-UHFFFAOYSA-N	0	0	351.428	1.083	10	30		FDEERN
C[C@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000374548614	678086827	/nfs/dbraw/zinc/08/68/27/678086827.db2.gz	HWPFBKWCHKQYGE-ZIAGYGMSSA-N	0	0	366.491	1.620	10	30		FDEERN
N#Cc1cc(C(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)ccn1	ZINC000193293226	178156725	/nfs/dbraw/zinc/15/67/25/178156725.db2.gz	YHHQRSUFQACXFH-SFHVURJKSA-N	0	0	366.421	1.151	10	30		FDEERN
CC(C)NC(=O)CCn1c2nnc(SCC#N)n2c2ccccc2c1=O	ZINC000033169984	204959332	/nfs/dbraw/zinc/95/93/32/204959332.db2.gz	IQRCEZJDJPSUDY-UHFFFAOYSA-N	0	0	370.438	1.575	10	30		FDEERN
CCN(CC/C(N)=N/O)S(=O)(=O)c1ccccc1Br	ZINC000042454009	205998025	/nfs/dbraw/zinc/99/80/25/205998025.db2.gz	QCCNERBQXOPBAY-UHFFFAOYSA-N	0	0	350.238	1.596	10	30		FDEERN
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)o1	ZINC000185476324	177695000	/nfs/dbraw/zinc/69/50/00/177695000.db2.gz	QXKQLCKXUULCFV-LBPRGKRZSA-N	0	0	364.365	1.856	10	30		FDEERN
Cc1noc([C@@H]2COCCN2CC(=O)Nc2sc(C)c(C)c2C#N)n1	ZINC000185064179	177666318	/nfs/dbraw/zinc/66/63/18/177666318.db2.gz	DJZRKEOWUULNSQ-ZDUSSCGKSA-N	0	0	361.427	1.940	10	30		FDEERN
CC[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCN1CCOC	ZINC000125528992	258261815	/nfs/dbraw/zinc/26/18/15/258261815.db2.gz	BTTNYKXONWMAIR-CYBMUJFWSA-N	0	0	373.425	1.568	10	30		FDEERN
N#CCN(CC#N)c1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N	ZINC000040736854	136120518	/nfs/dbraw/zinc/12/05/18/136120518.db2.gz	WPCVOAFNLNIWSQ-UHFFFAOYSA-N	0	0	366.404	1.378	10	30		FDEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000175881403	174034319	/nfs/dbraw/zinc/03/43/19/174034319.db2.gz	ZFGSDCFLPZKDSP-MRXNPFEDSA-N	0	0	365.441	1.825	10	30		FDEERN
CCN1CCC[C@H]1CN(C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000177029317	174102238	/nfs/dbraw/zinc/10/22/38/174102238.db2.gz	HISOQTJCCQBLMZ-KRWDZBQOSA-N	0	0	363.483	1.416	10	30		FDEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCCN(c2cccnn2)CC1	ZINC000177051556	174104068	/nfs/dbraw/zinc/10/40/68/174104068.db2.gz	HQHFISPZOIKPBN-GOSISDBHSA-N	0	0	351.410	1.775	10	30		FDEERN
Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CCO2)[nH]1	ZINC000180040032	258361170	/nfs/dbraw/zinc/36/11/70/258361170.db2.gz	NJMKTCDBMZAAIE-LBPRGKRZSA-N	0	0	367.818	1.400	10	30		FDEERN
Cc1cc(N2CCC[C@H](NS(=O)(=O)c3ccccc3C#N)C2=O)n(C)n1	ZINC000178827142	258336879	/nfs/dbraw/zinc/33/68/79/258336879.db2.gz	GUMLZOCKVJZENC-AWEZNQCLSA-N	0	0	373.438	1.074	10	30		FDEERN
Cc1cc(NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c(C#N)c(C)n1	ZINC000301787083	259033660	/nfs/dbraw/zinc/03/36/60/259033660.db2.gz	PGTMEGZQKVXIES-UHFFFAOYSA-N	0	0	363.421	1.754	10	30		FDEERN
N#Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-]	ZINC000302695670	259044353	/nfs/dbraw/zinc/04/43/53/259044353.db2.gz	DMRKKRGJEFFGDO-UHFFFAOYSA-N	0	0	373.394	1.372	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN4CCOC[C@@H]4C3)C2)n1	ZINC000329458392	259096805	/nfs/dbraw/zinc/09/68/05/259096805.db2.gz	QXZNEYHLTJRBNV-ROUUACIJSA-N	0	0	369.469	1.021	10	30		FDEERN
Cc1ncc(S(=O)(=O)N2CCC[C@H](Cc3nccn3C)C2)cc1C#N	ZINC000330199707	259132930	/nfs/dbraw/zinc/13/29/30/259132930.db2.gz	VTPUNSNUYAFZPC-CQSZACIVSA-N	0	0	359.455	1.639	10	30		FDEERN
C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cn3c(n2)CCCC3)cc1	ZINC000072318926	518287706	/nfs/dbraw/zinc/28/77/06/518287706.db2.gz	UWTPAPWJYXHDKL-UHFFFAOYSA-N	0	0	372.450	1.061	10	30		FDEERN
COc1ccc2ccccc2c1/C=N/NC(=S)NCCN1CCOCC1	ZINC000013684676	518666868	/nfs/dbraw/zinc/66/68/68/518666868.db2.gz	GTXVYQKWOMIUNX-KGENOOAVSA-N	0	0	372.494	1.979	10	30		FDEERN
C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1cccc(Br)c1	ZINC000026710067	519133774	/nfs/dbraw/zinc/13/37/74/519133774.db2.gz	KSZDCWJPLBQSEJ-SECBINFHSA-N	0	0	363.215	1.891	10	30		FDEERN
N#CCc1ccc(NC(=O)C(=O)NCc2cccnc2-n2cccn2)cc1	ZINC000062088507	522510080	/nfs/dbraw/zinc/51/00/80/522510080.db2.gz	VMBZYHNXXOCNQR-UHFFFAOYSA-N	0	0	360.377	1.588	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3ccc(OCC#N)cc3)CCO2)n1	ZINC000110905888	524160203	/nfs/dbraw/zinc/16/02/03/524160203.db2.gz	JKIRHNKDJJZNAD-LJQANCHMSA-N	0	0	368.437	1.872	10	30		FDEERN
N#CCCCCNC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1	ZINC000172335304	524203873	/nfs/dbraw/zinc/20/38/73/524203873.db2.gz	RHJUZUNSCYTAMH-QGZVFWFLSA-N	0	0	360.458	1.447	10	30		FDEERN
CCn1cnnc1[C@@H]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000136859583	524216590	/nfs/dbraw/zinc/21/65/90/524216590.db2.gz	JCIXZOGEOPPGIR-OAHLLOKOSA-N	0	0	352.394	1.784	10	30		FDEERN
C=CCc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc(OC)c1OC	ZINC000172761101	524267446	/nfs/dbraw/zinc/26/74/46/524267446.db2.gz	AEHSPBNHRFMPGJ-KRWDZBQOSA-N	0	0	360.454	1.979	10	30		FDEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000121680511	524327439	/nfs/dbraw/zinc/32/74/39/524327439.db2.gz	JOGDHQWRJSIDGP-CYBMUJFWSA-N	0	0	356.361	1.441	10	30		FDEERN
Cc1ncc(CN2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)s1	ZINC000173351735	524371555	/nfs/dbraw/zinc/37/15/55/524371555.db2.gz	KURPJDKNUHBXIS-UHFFFAOYSA-N	0	0	359.459	1.911	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000173383277	524377526	/nfs/dbraw/zinc/37/75/26/524377526.db2.gz	IBQCRLWOQCDRQW-ZDUSSCGKSA-N	0	0	370.384	1.526	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(C(=O)COc3ccccc3C#N)CC2)n1	ZINC000112035184	524390573	/nfs/dbraw/zinc/39/05/73/524390573.db2.gz	BAGCXABZFAVUIR-CQSZACIVSA-N	0	0	369.425	1.788	10	30		FDEERN
Cc1cnn(C[C@H]2CN(S(=O)(=O)Cc3cccc(C#N)c3)CCO2)c1	ZINC000112094098	524402703	/nfs/dbraw/zinc/40/27/03/524402703.db2.gz	HIHSTVMTLPLWJT-KRWDZBQOSA-N	0	0	360.439	1.294	10	30		FDEERN
Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CCO2)[nH]1	ZINC000173736237	524447989	/nfs/dbraw/zinc/44/79/89/524447989.db2.gz	OROHRCMIEBSLFK-ZDUSSCGKSA-N	0	0	367.818	1.400	10	30		FDEERN
CCn1cc(CN2CCCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1	ZINC000112707479	524545773	/nfs/dbraw/zinc/54/57/73/524545773.db2.gz	QBXNGFGPDXRCEK-UHFFFAOYSA-N	0	0	373.482	1.671	10	30		FDEERN
Cc1cc(N(CCC#N)C(=O)CN2CCOC[C@@H]2C(N)=O)ccc1Cl	ZINC000092228700	524856723	/nfs/dbraw/zinc/85/67/23/524856723.db2.gz	SIYWRRZDEJUKFB-OAHLLOKOSA-N	0	0	364.833	1.081	10	30		FDEERN
C=CCOc1ccccc1CNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1	ZINC000175525958	524972796	/nfs/dbraw/zinc/97/27/96/524972796.db2.gz	WUPPBZRJOISEJA-INIZCTEOSA-N	0	0	357.414	1.961	10	30		FDEERN
CC[C@H](C#N)NS(=O)(=O)c1cccc(I)c1	ZINC000160811199	524975174	/nfs/dbraw/zinc/97/51/74/524975174.db2.gz	XUNXXEFNZJPNCJ-SECBINFHSA-N	0	0	350.181	1.872	10	30		FDEERN
C=CCNC(=O)NC(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161108759	525036186	/nfs/dbraw/zinc/03/61/86/525036186.db2.gz	UCZCORQDKXWDQM-ZIAGYGMSSA-N	0	0	371.359	1.825	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c(C(F)(F)F)c1	ZINC000097013427	525168108	/nfs/dbraw/zinc/16/81/08/525168108.db2.gz	QZZKQDDKIYKNBA-LLVKDONJSA-N	0	0	371.344	1.982	10	30		FDEERN
C[C@H](C#N)NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl	ZINC000125894422	525248853	/nfs/dbraw/zinc/24/88/53/525248853.db2.gz	LJJIKSRCLOWAOH-MRVPVSSYSA-N	0	0	350.227	1.690	10	30		FDEERN
C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCN(c2cccnn2)C1	ZINC000118672613	525519448	/nfs/dbraw/zinc/51/94/48/525519448.db2.gz	JQTKVCQJVIJCIY-HOCLYGCPSA-N	0	0	351.410	1.901	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000106136206	525626255	/nfs/dbraw/zinc/62/62/55/525626255.db2.gz	VLGGAHIAMJWJLY-CQSZACIVSA-N	0	0	368.441	1.957	10	30		FDEERN
CCN(C[C@H](C)C#N)C(=O)CN1CCN(Cc2c(C)nn(C)c2C)CC1	ZINC000106142212	525629538	/nfs/dbraw/zinc/62/95/38/525629538.db2.gz	JUNPSQAJOQJIDF-OAHLLOKOSA-N	0	0	360.506	1.163	10	30		FDEERN
CC(C)(C)n1cc(CN2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)cn1	ZINC000106145745	525632459	/nfs/dbraw/zinc/63/24/59/525632459.db2.gz	SNQMZBFVVNMLIT-HXUWFJFHSA-N	0	0	372.517	1.564	10	30		FDEERN
CCOc1ccnc(N2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)n1	ZINC000106153245	525636671	/nfs/dbraw/zinc/63/66/71/525636671.db2.gz	XEIKANGQPXRKMN-SFHVURJKSA-N	0	0	360.462	1.052	10	30		FDEERN
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2nc3ccccc3o2)CC1	ZINC000170942109	525780683	/nfs/dbraw/zinc/78/06/83/525780683.db2.gz	ZEQGFPPUTBEHQZ-ZDUSSCGKSA-N	0	0	357.414	1.350	10	30		FDEERN
CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)CC2	ZINC000181729869	525909390	/nfs/dbraw/zinc/90/93/90/525909390.db2.gz	CZJNOJXYQOKGTP-CYBMUJFWSA-N	0	0	363.418	1.706	10	30		FDEERN
C#CCCOc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1	ZINC000120493171	526085509	/nfs/dbraw/zinc/08/55/09/526085509.db2.gz	ZOGKGEZJDJMIIR-UHFFFAOYSA-N	0	0	362.437	1.849	10	30		FDEERN
Cc1nc(CN2CCCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)no1	ZINC000171863895	526157367	/nfs/dbraw/zinc/15/73/67/526157367.db2.gz	SHDCWKNHLKZABR-AWEZNQCLSA-N	0	0	369.425	1.752	10	30		FDEERN
[O-]C(=[NH+]CCn1cccn1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1	ZINC000328620110	527586071	/nfs/dbraw/zinc/58/60/71/527586071.db2.gz	GRSMFSOFFUNETL-INIZCTEOSA-N	0	0	370.457	1.946	10	30		FDEERN
C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184283543	536127066	/nfs/dbraw/zinc/12/70/66/536127066.db2.gz	KJHYFIGTASMKBI-LLVKDONJSA-N	0	0	350.338	1.489	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(F)c3C#N)C2=O)n(C)n1	ZINC000188339953	536290707	/nfs/dbraw/zinc/29/07/07/536290707.db2.gz	HHFBBPDQJUJSPD-OAHLLOKOSA-N	0	0	355.373	1.665	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1	ZINC000188573952	536904757	/nfs/dbraw/zinc/90/47/57/536904757.db2.gz	CZXAWLSTHCRDGG-QGZVFWFLSA-N	0	0	363.421	1.524	10	30		FDEERN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@H](Cn2nc(C)cc2C)C1	ZINC000246367343	536938206	/nfs/dbraw/zinc/93/82/06/536938206.db2.gz	HEKOPQNLDAMFAF-RBUKOAKNSA-N	0	0	368.437	1.987	10	30		FDEERN
Cc1oc(NC(=O)[C@@H](C)N2CCO[C@@H](Cn3cccn3)C2)c(C#N)c1C	ZINC000247540589	537131417	/nfs/dbraw/zinc/13/14/17/537131417.db2.gz	CXTPCTZVRBBTIQ-UKRRQHHQSA-N	0	0	357.414	1.693	10	30		FDEERN
CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192698098	537230569	/nfs/dbraw/zinc/23/05/69/537230569.db2.gz	YRNJJFMTSXOFOB-AWEZNQCLSA-N	0	0	359.430	1.180	10	30		FDEERN
CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1	ZINC000194650930	537309502	/nfs/dbraw/zinc/30/95/02/537309502.db2.gz	JCHAXUYHPOMLIU-HNNXBMFYSA-N	0	0	364.471	1.093	10	30		FDEERN
CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCO[C@H]1C#N	ZINC000219240167	537472582	/nfs/dbraw/zinc/47/25/82/537472582.db2.gz	XFMKVOOWZLRFCR-QLFBSQMISA-N	0	0	352.412	1.134	10	30		FDEERN
C=CCO[C@H]1[C@H](O)[C@H](COCc2ccccc2)O[C@@H](OC)[C@H]1NC(C)=O	ZINC000575417745	550462067	/nfs/dbraw/zinc/46/20/67/550462067.db2.gz	SGMRSCAPZVOLHO-NTZUZEMLSA-N	0	0	365.426	1.011	10	30		FDEERN
C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccccc1C#N	ZINC000583616320	551377259	/nfs/dbraw/zinc/37/72/59/551377259.db2.gz	SHNSWIKTCQYEKG-ZOBUZTSGSA-N	0	0	350.440	1.499	10	30		FDEERN
N#C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2)CN2CCC1CC2	ZINC000584643790	551525012	/nfs/dbraw/zinc/52/50/12/551525012.db2.gz	OSFZVXOXHGNBRF-CQSZACIVSA-N	0	0	370.272	1.715	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)c(Cl)c1	ZINC000328633621	571325441	/nfs/dbraw/zinc/32/54/41/571325441.db2.gz	SQOAXPUPOLMDEE-LBPRGKRZSA-N	0	0	350.831	1.949	10	30		FDEERN
CN(C)c1ccc(N[C@@H]2CCCN(C(=O)N[C@H]3CCN(C)C3=O)CC2)cn1	ZINC000328654697	571326184	/nfs/dbraw/zinc/32/61/84/571326184.db2.gz	XRCRYYRRGURFTK-ZBFHGGJFSA-N	0	0	374.489	1.559	10	30		FDEERN
C=C(Br)CNC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1	ZINC000174376094	672093407	/nfs/dbraw/zinc/09/34/07/672093407.db2.gz	JRTQLUUZWLGVSS-LLVKDONJSA-N	0	0	369.267	1.695	10	30		FDEERN
CC(C)(C)OC(=O)NC[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000247707863	672529137	/nfs/dbraw/zinc/52/91/37/672529137.db2.gz	ZKTIWVIFCUQYHS-KBXCAEBGSA-N	0	0	350.463	1.784	10	30		FDEERN
O=C(CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)Nc1nc2c(s1)CCCC2	ZINC000329195774	676624421	/nfs/dbraw/zinc/62/44/21/676624421.db2.gz	UKDOZINOTQIVBP-GXFFZTMASA-N	0	0	355.485	1.729	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)cc1Br	ZINC000365295167	677356123	/nfs/dbraw/zinc/35/61/23/677356123.db2.gz	KDZUHVUOPVAEGS-UWVGGRQHSA-N	0	0	363.208	1.414	10	30		FDEERN
Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C2)n1	ZINC000369223349	677503793	/nfs/dbraw/zinc/50/37/93/677503793.db2.gz	FACDOEKVAGQKCC-IUODEOHRSA-N	0	0	354.480	1.086	10	30		FDEERN
C[C@H](CN(C)C(=O)c1ccc(I)cc1)/C(N)=N/O	ZINC000042459265	208294443	/nfs/dbraw/zinc/29/44/43/208294443.db2.gz	RSGQJFUVHVFQPR-MRVPVSSYSA-N	0	0	361.183	1.746	10	30		FDEERN
N/C(CCNS(=O)(=O)c1ccc(Br)cc1Cl)=N/O	ZINC000054155930	208453895	/nfs/dbraw/zinc/45/38/95/208453895.db2.gz	ZOKBTGBORDTENH-UHFFFAOYSA-N	0	0	356.629	1.517	10	30		FDEERN
Cc1ccccc1NC(=O)CN1c2ccccc2/C(=N/NC(N)=S)C1=O	ZINC000072414940	208852076	/nfs/dbraw/zinc/85/20/76/208852076.db2.gz	JSFNHVPEVKHUNY-PGMHBOJBSA-N	0	0	367.434	1.518	10	30		FDEERN
Cc1noc([C@@H]2COCCN2CCS(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000185069389	177666173	/nfs/dbraw/zinc/66/61/73/177666173.db2.gz	BMYLZPJDKUKDKM-HNNXBMFYSA-N	0	0	362.411	1.097	10	30		FDEERN
C#CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCOCC1	ZINC000226278385	132374909	/nfs/dbraw/zinc/37/49/09/132374909.db2.gz	YADWFQOGBYGOIQ-UHFFFAOYSA-N	0	0	356.300	1.814	10	30		FDEERN
N#Cc1ccc([C@H](O)CN2CCN(C[C@@H](O)c3ccccc3)CC2)cc1	ZINC000127428159	173075156	/nfs/dbraw/zinc/07/51/56/173075156.db2.gz	IKCZFLVRZHBKJO-NHCUHLMSSA-N	0	0	351.450	1.943	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1C)CC2	ZINC000177639361	174147349	/nfs/dbraw/zinc/14/73/49/174147349.db2.gz	QMSFBTRRLYRXHC-CYBMUJFWSA-N	0	0	352.398	1.090	10	30		FDEERN
Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000180108819	258362059	/nfs/dbraw/zinc/36/20/59/258362059.db2.gz	PLHSSELHVVJKCA-GFCCVEGCSA-N	0	0	351.819	1.925	10	30		FDEERN
COc1cc(C(=O)NCC(=O)Nc2ccc(C#N)cc2)cc(OC)c1OC	ZINC000015566373	518727096	/nfs/dbraw/zinc/72/70/96/518727096.db2.gz	KLQNEJALRGLOJW-UHFFFAOYSA-N	0	0	369.377	1.953	10	30		FDEERN
N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)N3CCCC3)C2)c(F)c1	ZINC000068941397	521765590	/nfs/dbraw/zinc/76/55/90/521765590.db2.gz	RMKHVOGVDHDXMU-CQSZACIVSA-N	0	0	352.435	1.596	10	30		FDEERN
N#Cc1cccnc1N1CCCN(C(=O)c2cccc(NC(N)=O)c2)CC1	ZINC000056352637	521843311	/nfs/dbraw/zinc/84/33/11/521843311.db2.gz	YBJMMBWUVPFVQO-UHFFFAOYSA-N	0	0	364.409	1.796	10	30		FDEERN
COc1ccc(CNC(=O)N2CCCN(c3ncccc3C#N)CC2)cn1	ZINC000056593809	521884258	/nfs/dbraw/zinc/88/42/58/521884258.db2.gz	LKYOMIJDFRCPJQ-UHFFFAOYSA-N	0	0	366.425	1.779	10	30		FDEERN
Cn1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(CC#N)cc3)C2)cn1	ZINC000076417238	523105975	/nfs/dbraw/zinc/10/59/75/523105975.db2.gz	NIOBIEDBAXYTFF-MRXNPFEDSA-N	0	0	366.425	1.210	10	30		FDEERN
N#Cc1ccc(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)nc1	ZINC000135501736	524149353	/nfs/dbraw/zinc/14/93/53/524149353.db2.gz	CDMGUCQWDHUKSI-UHFFFAOYSA-N	0	0	352.398	1.562	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)CCO2)n1	ZINC000111344955	524265602	/nfs/dbraw/zinc/26/56/02/524265602.db2.gz	JWYPWAOUJIEIOH-INIZCTEOSA-N	0	0	360.439	1.461	10	30		FDEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H](Cn2cccn2)C1	ZINC000157467927	524279873	/nfs/dbraw/zinc/27/98/73/524279873.db2.gz	HQSJDSRWPBVERC-CQSZACIVSA-N	0	0	366.830	1.498	10	30		FDEERN
C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1	ZINC000173690263	524435721	/nfs/dbraw/zinc/43/57/21/524435721.db2.gz	XIRGJLDRTCQKEJ-OAHLLOKOSA-N	0	0	355.398	1.645	10	30		FDEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2CO)cc1	ZINC000151090206	524524719	/nfs/dbraw/zinc/52/47/19/524524719.db2.gz	LBXKGYBTQGVNDB-HOCLYGCPSA-N	0	0	352.456	1.432	10	30		FDEERN
Cc1nnc([C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CCO2)[nH]1	ZINC000123110729	524683145	/nfs/dbraw/zinc/68/31/45/524683145.db2.gz	PUMUWPRXAXPOPU-LBPRGKRZSA-N	0	0	367.818	1.400	10	30		FDEERN
CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C[C@H]1C	ZINC000174895985	524782737	/nfs/dbraw/zinc/78/27/37/524782737.db2.gz	OVFGDTJICOEYOM-OAHLLOKOSA-N	0	0	358.442	1.374	10	30		FDEERN
C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1CCOCC1	ZINC000114587112	524834481	/nfs/dbraw/zinc/83/44/81/524834481.db2.gz	FBUVBXJQSVSTGC-PKOBYXMFSA-N	0	0	371.485	1.127	10	30		FDEERN
CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)CCCC#N)CC1	ZINC000116899401	525247307	/nfs/dbraw/zinc/24/73/07/525247307.db2.gz	KWURGZSRDSSFOI-UHFFFAOYSA-N	0	0	373.910	1.387	10	30		FDEERN
N#Cc1ccc(C(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)nc1	ZINC000117312299	525321166	/nfs/dbraw/zinc/32/11/66/525321166.db2.gz	NTKJRRANZDAJJD-KRWDZBQOSA-N	0	0	366.421	1.151	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)n1	ZINC000127159828	525389548	/nfs/dbraw/zinc/38/95/48/525389548.db2.gz	LWJDZHCUDAOCCH-CQSZACIVSA-N	0	0	369.425	1.728	10	30		FDEERN
CCc1nccn1[C@H]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000109675443	526161205	/nfs/dbraw/zinc/16/12/05/526161205.db2.gz	PPQGHEKELSDWEG-KRWDZBQOSA-N	0	0	365.437	1.911	10	30		FDEERN
C[C@@H]1COC[C@@H](C)N1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000183180873	535937226	/nfs/dbraw/zinc/93/72/26/535937226.db2.gz	WDFBQJKZXMVLCX-OAGGEKHMSA-N	0	0	362.499	1.566	10	30		FDEERN
N#Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)ccc1Cl	ZINC000186183445	536228095	/nfs/dbraw/zinc/22/80/95/536228095.db2.gz	FEGBZBICWHWFMY-UHFFFAOYSA-N	0	0	353.831	1.501	10	30		FDEERN
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1	ZINC000186270294	536230706	/nfs/dbraw/zinc/23/07/06/536230706.db2.gz	WLJGFERWTPPTPA-HOCLYGCPSA-N	0	0	355.419	1.793	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](OCC)C23CCOCC3)c1	ZINC000187289983	536260482	/nfs/dbraw/zinc/26/04/82/536260482.db2.gz	HLTGVADXKPTAOW-DLBZAZTESA-N	0	0	356.422	1.697	10	30		FDEERN
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	ZINC000188962630	536978297	/nfs/dbraw/zinc/97/82/97/536978297.db2.gz	CZKIQPQZCFAHQA-JIMOISOXSA-N	0	0	356.209	1.656	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1N1CCOCC1	ZINC000246650388	536996652	/nfs/dbraw/zinc/99/66/52/536996652.db2.gz	VHOHJBODELIMLM-IAQYHMDHSA-N	0	0	371.409	1.178	10	30		FDEERN
Cc1cnn(C[C@@H]2CN([C@H](C)C(=O)Nc3cccc(C#N)c3)CCO2)c1	ZINC000247743351	537147982	/nfs/dbraw/zinc/14/79/82/537147982.db2.gz	NXQKEJDYRNKAKA-QAPCUYQASA-N	0	0	353.426	1.791	10	30		FDEERN
C=C[C@](C)(O)[C@H](O)C[C@H]1[C@]2(C)CCCC(C)(C)[C@H]2[C@@H](O)[C@@H](O)[C@@]1(C)O	ZINC000248045456	537164504	/nfs/dbraw/zinc/16/45/04/537164504.db2.gz	WQGJQTTYXPLSSA-GZKDVXEDSA-N	0	0	356.503	1.610	10	30		FDEERN
C=CC[C@H](CO)NC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1	ZINC000248667555	537203342	/nfs/dbraw/zinc/20/33/42/537203342.db2.gz	XCDGHZAWUHNZLL-RBSFLKMASA-N	0	0	353.488	1.746	10	30		FDEERN
C[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1	ZINC000193015843	537238337	/nfs/dbraw/zinc/23/83/37/537238337.db2.gz	ODMGNADPAKVRSA-GFCCVEGCSA-N	0	0	358.423	1.766	10	30		FDEERN
N#CCCN(CCC#N)C(=O)CN1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000195511510	537415229	/nfs/dbraw/zinc/41/52/29/537415229.db2.gz	YERNBRURTHWVND-MRXNPFEDSA-N	0	0	369.473	1.797	10	30		FDEERN
N#Cc1cnc(Oc2ccc3nc(C(=O)N4CC[NH2+]CC4)ccc3c2)cn1	ZINC000584628325	551524615	/nfs/dbraw/zinc/52/46/15/551524615.db2.gz	LPRBNUBBILTHCN-UHFFFAOYSA-N	0	0	360.377	1.734	10	30		FDEERN
CCOC(=O)CCCC#CCN(CC(OCC)OCC)S(C)(=O)=O	ZINC000584638634	551525166	/nfs/dbraw/zinc/52/51/66/551525166.db2.gz	DPORIRDVYBHDNI-UHFFFAOYSA-N	0	0	363.476	1.384	10	30		FDEERN
CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1cc(Br)c(C#N)cc1F	ZINC000596432896	552678807	/nfs/dbraw/zinc/67/88/07/552678807.db2.gz	GPVKXVOFVVNDBG-VXGBXAGGSA-N	0	0	363.208	1.684	10	30		FDEERN
N#Cc1cccc(NC[C@@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)n1	ZINC000328607755	571324087	/nfs/dbraw/zinc/32/40/87/571324087.db2.gz	WYMBFWCUQOSJJE-CQSZACIVSA-N	0	0	366.425	1.297	10	30		FDEERN
CS(=O)(=O)OC[C@@]12CC=CC[C@@]1(COS(C)(=O)=O)CCCC2	ZINC000222332742	672411945	/nfs/dbraw/zinc/41/19/45/672411945.db2.gz	MJYZMGUGHYNHGB-KBPBESRZSA-N	0	0	352.474	1.836	10	30		FDEERN
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000245441720	672443224	/nfs/dbraw/zinc/44/32/24/672443224.db2.gz	HOACSKAZKOKEBU-GJZGRUSLSA-N	0	0	352.479	1.984	10	30		FDEERN
C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H](C)O1	ZINC000245846578	672466368	/nfs/dbraw/zinc/46/63/68/672466368.db2.gz	DXHMNPKHDXNFTM-BZUAXINKSA-N	0	0	362.499	1.566	10	30		FDEERN
O=C(N[C@@H]1COc2ccccc21)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1	ZINC000329217303	676625958	/nfs/dbraw/zinc/62/59/58/676625958.db2.gz	PXSSTJOQABDIPD-MRRJBJDNSA-N	0	0	366.439	1.360	10	30		FDEERN
N#Cc1cc(Br)cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c1	ZINC000364175514	676997113	/nfs/dbraw/zinc/99/71/13/676997113.db2.gz	ZQTIWZJHBWWFRV-QWRGUYRKSA-N	0	0	363.208	1.414	10	30		FDEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1	ZINC000193095976	178146872	/nfs/dbraw/zinc/14/68/72/178146872.db2.gz	IRYIBRKNCWIFAQ-HNNXBMFYSA-N	0	0	357.458	1.750	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1N1CCOCC1	ZINC000246650399	178440142	/nfs/dbraw/zinc/44/01/42/178440142.db2.gz	VHOHJBODELIMLM-XHDPSFHLSA-N	0	0	371.409	1.178	10	30		FDEERN
NS(=O)(=O)c1ccc(-c2ccc(/C=N\[C@@H]3CCS(=O)(=O)C3)o2)cc1	ZINC000102635340	209239686	/nfs/dbraw/zinc/23/96/86/209239686.db2.gz	QAZWLPDJVIFPMC-AXIYWZQUSA-N	0	0	368.436	1.200	10	30		FDEERN
COC(=O)CN1C(=O)C[C@H](C(N)=O)S/C1=N\c1cccc(Cl)c1	ZINC000006179496	207131942	/nfs/dbraw/zinc/13/19/42/207131942.db2.gz	PEIUXPHHKNINHQ-BXWLNTHASA-N	0	0	355.803	1.320	10	30		FDEERN
Cn1c2nc(-c3cccnc3)ncc2c(=O)n(Cc2ccccc2C#N)c1=O	ZINC000065057455	208632403	/nfs/dbraw/zinc/63/24/03/208632403.db2.gz	NGOICTQULSMUIX-UHFFFAOYSA-N	0	0	370.372	1.472	10	30		FDEERN
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000172676765	258282541	/nfs/dbraw/zinc/28/25/41/258282541.db2.gz	RGTLHZCSQFNXDO-AWEZNQCLSA-N	0	0	359.455	1.875	10	30		FDEERN
C[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)N1CCOCC1	ZINC000103853824	172371690	/nfs/dbraw/zinc/37/16/90/172371690.db2.gz	GSHSOQBLOPDMBA-MRXNPFEDSA-N	0	0	372.469	1.832	10	30		FDEERN
CCn1cnnc1C1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000107351602	172469279	/nfs/dbraw/zinc/46/92/79/172469279.db2.gz	NBFJCZWZOKWRCY-UHFFFAOYSA-N	0	0	366.425	1.306	10	30		FDEERN
CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000136159401	173357738	/nfs/dbraw/zinc/35/77/38/173357738.db2.gz	BIWBRNUPISCWNM-ZDUSSCGKSA-N	0	0	360.389	1.543	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)CC2	ZINC000175131500	173988321	/nfs/dbraw/zinc/98/83/21/173988321.db2.gz	FBGIIJOKHHONID-HNNXBMFYSA-N	0	0	368.441	1.966	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(C)c1C#N)CC2	ZINC000177642816	174147186	/nfs/dbraw/zinc/14/71/86/174147186.db2.gz	SLPZBCAJBBGHPK-LBPRGKRZSA-N	0	0	352.398	1.090	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3)CCO2)n1	ZINC000177656810	174148251	/nfs/dbraw/zinc/14/82/51/174148251.db2.gz	UXPOTZQGOVNBCE-QGZVFWFLSA-N	0	0	367.409	1.238	10	30		FDEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCO[C@@H](c2nccs2)C1	ZINC000178515942	174192356	/nfs/dbraw/zinc/19/23/56/174192356.db2.gz	FLPMVFYEJVZSEY-CQSZACIVSA-N	0	0	356.407	1.862	10	30		FDEERN
N#Cc1cc(S(N)(=O)=O)ccc1NC1CCN(c2ccccn2)CC1	ZINC000301374100	259026252	/nfs/dbraw/zinc/02/62/52/259026252.db2.gz	QOTXEMZKFCQZDV-UHFFFAOYSA-N	0	0	357.439	1.682	10	30		FDEERN
N#Cc1cc(N2CCN(S(N)(=O)=O)CC2)nc2ccc(Cl)cc12	ZINC000301364831	259026695	/nfs/dbraw/zinc/02/66/95/259026695.db2.gz	RSIBCUOIGPVARR-UHFFFAOYSA-N	0	0	351.819	1.085	10	30		FDEERN
N#Cc1ccc(OCC[C@@H]2CO[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]23)nc1	ZINC000503717705	263669499	/nfs/dbraw/zinc/66/94/99/263669499.db2.gz	VPPWLDPYYLYQGA-HLLBOEOZSA-N	0	0	365.393	1.299	10	30		FDEERN
Cc1cc(C)n(-c2nnc(N=NC(C)c3ccc4c(c3)OCO4)nn2)n1	ZINC000020353093	518468251	/nfs/dbraw/zinc/46/82/51/518468251.db2.gz	IEOFYWIFAFGECA-GZTJUZNOSA-N	0	0	352.358	1.634	10	30		FDEERN
CCCCOC(=O)C1=C(N)Oc2ccccc2[C@@]12C(=O)NC(C)=C2C(C)=O	ZINC000020583412	520703180	/nfs/dbraw/zinc/70/31/80/520703180.db2.gz	FCZIIXGFLNFDRK-FQEVSTJZSA-N	0	0	370.405	1.823	10	30		FDEERN
C#CCNC(=O)c1ccc(N[C@H]2CCCN(c3cc(C)nn3C)C2=O)nc1	ZINC000078675127	523635634	/nfs/dbraw/zinc/63/56/34/523635634.db2.gz	SUTNYAZRAGRPTA-HNNXBMFYSA-N	0	0	366.425	1.094	10	30		FDEERN
COc1ccc(CN(Cc2c[nH]cn2)[C@H](C)COS(C)(=O)=O)cc1	ZINC000390822491	524016226	/nfs/dbraw/zinc/01/62/26/524016226.db2.gz	ATULQKZLFYLRAM-CYBMUJFWSA-N	0	0	353.444	1.785	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)n1	ZINC000137078071	524227796	/nfs/dbraw/zinc/22/77/96/524227796.db2.gz	QLJSUVZULPEIIL-ZDUSSCGKSA-N	0	0	368.393	1.364	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000173383266	524376811	/nfs/dbraw/zinc/37/68/11/524376811.db2.gz	IBQCRLWOQCDRQW-CYBMUJFWSA-N	0	0	370.384	1.526	10	30		FDEERN
O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CCc2ncnn2C1	ZINC000112741834	524559591	/nfs/dbraw/zinc/55/95/91/524559591.db2.gz	JMPCJBMUHKNHCR-AWEZNQCLSA-N	0	0	363.343	1.963	10	30		FDEERN
CC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCN1C[C@@H](C)O	ZINC000122720817	524599658	/nfs/dbraw/zinc/59/96/58/524599658.db2.gz	IUVLGRVREVBMGV-DOMZBBRYSA-N	0	0	355.435	1.163	10	30		FDEERN
C#CCOc1ccc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)cc1	ZINC000175000271	524830657	/nfs/dbraw/zinc/83/06/57/524830657.db2.gz	NIIIRXJHLJNUOV-KRWDZBQOSA-N	0	0	366.421	1.666	10	30		FDEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1	ZINC000175821371	525015513	/nfs/dbraw/zinc/01/55/13/525015513.db2.gz	STDUIWQZRUXEGR-AWEZNQCLSA-N	0	0	361.427	1.007	10	30		FDEERN
C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCCn3nc(CC)nc32)c1	ZINC000176181183	525062582	/nfs/dbraw/zinc/06/25/82/525062582.db2.gz	IHPQHHMCGREHPQ-HNNXBMFYSA-N	0	0	366.425	1.595	10	30		FDEERN
N#CC1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000116885418	525240436	/nfs/dbraw/zinc/24/04/36/525240436.db2.gz	FCJXPOIUKIYXOJ-UHFFFAOYSA-N	0	0	353.360	1.010	10	30		FDEERN
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(CC#N)C1CCCC1	ZINC000126066570	525269457	/nfs/dbraw/zinc/26/94/57/525269457.db2.gz	LGWUIXRSACZYJA-LBPRGKRZSA-N	0	0	360.439	1.408	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3)CCO2)n1	ZINC000177654739	525325688	/nfs/dbraw/zinc/32/56/88/525325688.db2.gz	LNIMJNUGHBFPMH-KRWDZBQOSA-N	0	0	367.409	1.238	10	30		FDEERN
C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000164420841	525505863	/nfs/dbraw/zinc/50/58/63/525505863.db2.gz	CBYFOTSFXUUNEK-QAPCUYQASA-N	0	0	357.454	1.895	10	30		FDEERN
Cc1ccc([C@@H](CNS(=O)(=O)CC2(C#N)CC2)N2CCOCC2)s1	ZINC000165845334	525561058	/nfs/dbraw/zinc/56/10/58/525561058.db2.gz	OLSLPSSTNRKKDQ-CQSZACIVSA-N	0	0	369.512	1.653	10	30		FDEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)CC2	ZINC000179393029	525573181	/nfs/dbraw/zinc/57/31/81/525573181.db2.gz	PNIUOHBKAHXMMB-HNNXBMFYSA-N	0	0	353.426	1.978	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@H](C)N1CCN([C@@H](C)c2nc(CC)no2)CC1	ZINC000106137767	525627632	/nfs/dbraw/zinc/62/76/32/525627632.db2.gz	FQCPWNUOWHHTNV-HOTGVXAUSA-N	0	0	361.490	1.900	10	30		FDEERN
CC(C)(C)n1cc(CN2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cn1	ZINC000106145743	525632544	/nfs/dbraw/zinc/63/25/44/525632544.db2.gz	SNQMZBFVVNMLIT-FQEVSTJZSA-N	0	0	372.517	1.564	10	30		FDEERN
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCO[C@H](Cn2cccn2)C1	ZINC000106190947	525662394	/nfs/dbraw/zinc/66/23/94/525662394.db2.gz	BSTOTIZMZVBJGA-HKUYNNGSSA-N	0	0	367.453	1.919	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(C[C@H](O)COc3ccc(C#N)cc3)CCO2)n1	ZINC000106201503	525669839	/nfs/dbraw/zinc/66/98/39/525669839.db2.gz	OFKANMKFKFBZNW-ICSRJNTNSA-N	0	0	370.453	1.512	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(CC(=O)Nc3ccc(C#N)cc3)CCO2)n1	ZINC000106202680	525670403	/nfs/dbraw/zinc/67/04/03/525670403.db2.gz	YXGBOBPSCUDPRP-GOSISDBHSA-N	0	0	353.426	1.711	10	30		FDEERN
CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000106368072	525704874	/nfs/dbraw/zinc/70/48/74/525704874.db2.gz	CCSREUNIXKGWIQ-GFCCVEGCSA-N	0	0	363.418	1.877	10	30		FDEERN
C=CCNC(=O)CNC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1	ZINC000180522882	525715642	/nfs/dbraw/zinc/71/56/42/525715642.db2.gz	LPWCFBDMMJAQFB-KGLIPLIRSA-N	0	0	366.487	1.111	10	30		FDEERN
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000181809145	525939078	/nfs/dbraw/zinc/93/90/78/525939078.db2.gz	OTAPRZYADAGYRT-KGLIPLIRSA-N	0	0	367.409	1.666	10	30		FDEERN
CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000108400595	525964416	/nfs/dbraw/zinc/96/44/16/525964416.db2.gz	BGARTOAYFRFSTQ-MRXNPFEDSA-N	0	0	359.455	1.879	10	30		FDEERN
Cc1nc(C[NH+]=C([O-])NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)no1	ZINC000328642896	526849511	/nfs/dbraw/zinc/84/95/11/526849511.db2.gz	YQAJUNSKHARVEH-VIFPVBQESA-N	0	0	358.324	1.860	10	30		FDEERN
C[C@@H]1COC[C@@H](C)N1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000183180950	535937235	/nfs/dbraw/zinc/93/72/35/535937235.db2.gz	XQRUJQRSOFJUCM-MDZRGWNJSA-N	0	0	374.460	1.644	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1	ZINC000184742748	536180682	/nfs/dbraw/zinc/18/06/82/536180682.db2.gz	IQYXTVMXLOVJAG-AWEZNQCLSA-N	0	0	353.382	1.092	10	30		FDEERN
C=CC[C@@H](CO)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21	ZINC000185939140	536222272	/nfs/dbraw/zinc/22/22/72/536222272.db2.gz	NWBZKWMBBKRNIA-LRDDRELGSA-N	0	0	359.451	1.736	10	30		FDEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1	ZINC000186173820	536227820	/nfs/dbraw/zinc/22/78/20/536227820.db2.gz	MQCOHRSAYYLPGT-UHFFFAOYSA-N	0	0	353.831	1.501	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000188218511	536286399	/nfs/dbraw/zinc/28/63/99/536286399.db2.gz	UQCXHGBWXLWWDF-AWEZNQCLSA-N	0	0	352.394	1.387	10	30		FDEERN
COCCN1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000247540877	537131385	/nfs/dbraw/zinc/13/13/85/537131385.db2.gz	CZBHTNRXPNSVOA-ZWKOTPCHSA-N	0	0	358.486	1.974	10	30		FDEERN
C[C@H]1C(=O)NCCCN1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000191438255	537205968	/nfs/dbraw/zinc/20/59/68/537205968.db2.gz	SJBYXJNZHBWSRN-LBPRGKRZSA-N	0	0	353.344	1.977	10	30		FDEERN
CCn1cc([C@H]2CN(C(=O)Cc3cccc(OCC#N)c3)CCO2)cn1	ZINC000191711240	537211134	/nfs/dbraw/zinc/21/11/34/537211134.db2.gz	UMONVFGIGNHCMO-GOSISDBHSA-N	0	0	354.410	1.948	10	30		FDEERN
C=CCO[C@@H]1[C@H](NC(C)=O)[C@H](OC)O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]12	ZINC000575417843	550461877	/nfs/dbraw/zinc/46/18/77/550461877.db2.gz	YHGQSPVMUYCILV-GRUVHVDGSA-N	0	0	363.410	1.548	10	30		FDEERN
Cc1c([C@H]2[C@H](CNc3ccc(Cl)c(C#N)n3)CC(=O)N2C)cnn1C	ZINC000328613955	571129484	/nfs/dbraw/zinc/12/94/84/571129484.db2.gz	USTCNCRNDRIMNW-APPDUMDISA-N	0	0	358.833	2.280	10	30		FDEERN
C=C(Br)CNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O	ZINC000175958584	672108881	/nfs/dbraw/zinc/10/88/81/672108881.db2.gz	HSGGWCZTQWFWHM-NSHDSACASA-N	0	0	370.251	1.432	10	30		FDEERN
C=C(C)CS(=O)(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)OC	ZINC000223442288	672412778	/nfs/dbraw/zinc/41/27/78/672412778.db2.gz	BNOLVSJREURXGA-UHFFFAOYSA-N	0	0	366.439	1.802	10	30		FDEERN
CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CCN1C[C@H](C)O	ZINC000245776124	672463249	/nfs/dbraw/zinc/46/32/49/672463249.db2.gz	AQYRXWVTUZWKLL-SWLSCSKDSA-N	0	0	371.890	1.677	10	30		FDEERN
CCOCCN1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C	ZINC000246204192	672508174	/nfs/dbraw/zinc/50/81/74/672508174.db2.gz	NBOLUAMOMSJCQN-MRXNPFEDSA-N	0	0	365.499	1.375	10	30		FDEERN
O=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@H]1COc2ccccc21	ZINC000328748150	676605155	/nfs/dbraw/zinc/60/51/55/676605155.db2.gz	PMKHJWCUEFJRFR-MAUKXSAKSA-N	0	0	363.483	1.832	10	30		FDEERN
C=C1C(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@H]1C)[C@H]23	ZINC000257423501	717178062	/nfs/dbraw/zinc/17/80/62/717178062.db2.gz	GDDNFNQRHNCJAZ-ZXPLCCQKSA-N	0	0	351.399	1.061	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)Nc2ccc(C#N)cc2)C1	ZINC000705671501	886115936	/nfs/dbraw/zinc/11/59/36/886115936.db2.gz	FVKOJSNILSMBQI-HIFRSBDPSA-N	0	0	360.414	1.908	10	30		FDEERN
CCOC(=O)C(N=Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)=O	ZINC000100206371	209210104	/nfs/dbraw/zinc/21/01/04/209210104.db2.gz	YKOKNVFFMXUXQA-OBGWFSINSA-N	0	0	367.427	1.391	10	30		FDEERN
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	ZINC000038643256	208204306	/nfs/dbraw/zinc/20/43/06/208204306.db2.gz	WNYLPFCKNQAAMB-OWUXUVPTSA-N	0	0	374.477	1.804	10	30		FDEERN
CCN(CC/C(N)=N/O)S(=O)(=O)c1sccc1Br	ZINC000042453989	208293902	/nfs/dbraw/zinc/29/39/02/208293902.db2.gz	LBSVPSWIDSJDBT-UHFFFAOYSA-N	0	0	356.267	1.658	10	30		FDEERN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(N2CCO[C@H](C)C2)CC1	ZINC000077386287	172126461	/nfs/dbraw/zinc/12/64/61/172126461.db2.gz	LRFAHIVUMLZOLO-OAHLLOKOSA-N	0	0	363.483	1.741	10	30		FDEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000151215859	173393733	/nfs/dbraw/zinc/39/37/33/173393733.db2.gz	LOOGMRYUHGVMMV-QRWLVFNGSA-N	0	0	357.454	1.950	10	30		FDEERN
CCn1cnnc1[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000176224353	174059589	/nfs/dbraw/zinc/05/95/89/174059589.db2.gz	WMLFHDHEYZLDAQ-MRXNPFEDSA-N	0	0	373.482	1.823	10	30		FDEERN
Cc1ncc(CN2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)s1	ZINC000177599142	174143226	/nfs/dbraw/zinc/14/32/26/174143226.db2.gz	ILNZVHYZZGSXLI-UHFFFAOYSA-N	0	0	369.450	1.606	10	30		FDEERN
CCc1nnc([C@H]2CN(C(=O)[C@H](C)Oc3ccccc3C#N)CCO2)[nH]1	ZINC000173561666	258303129	/nfs/dbraw/zinc/30/31/29/258303129.db2.gz	ZLYVYANNFIOMLE-SWLSCSKDSA-N	0	0	355.398	1.606	10	30		FDEERN
N#Cc1cc(Nc2ncc([N+](=O)[O-])c(N)n2)ccc1N1CCC(O)CC1	ZINC000301419998	259027708	/nfs/dbraw/zinc/02/77/08/259027708.db2.gz	CMCTZBHXMWJJFH-UHFFFAOYSA-N	0	0	355.358	1.543	10	30		FDEERN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(c2cc(C)nc3ncnn32)CC1	ZINC000029722641	519315772	/nfs/dbraw/zinc/31/57/72/519315772.db2.gz	HSKYJQFOXBNXTO-INIZCTEOSA-N	0	0	371.489	1.368	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(C(=O)COc3ccccc3C#N)CCO2)n1	ZINC000110907185	524159412	/nfs/dbraw/zinc/15/94/12/524159412.db2.gz	PPCHTACXMJFYEO-KRWDZBQOSA-N	0	0	354.410	1.678	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2C)C[C@@H]1C	ZINC000172676455	524260485	/nfs/dbraw/zinc/26/04/85/524260485.db2.gz	XSVRSPNOVROUJO-HNNXBMFYSA-N	0	0	351.472	1.598	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)CC2	ZINC000157597716	524304096	/nfs/dbraw/zinc/30/40/96/524304096.db2.gz	OMZBAAZAPWJYNR-JTQLQIEISA-N	0	0	365.846	1.659	10	30		FDEERN
Cc1nnc([C@@H]2CN([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CCO2)[nH]1	ZINC000173684824	524432895	/nfs/dbraw/zinc/43/28/95/524432895.db2.gz	MDXYGZSZAAVHRE-IJSAUFJJSA-N	0	0	374.489	1.806	10	30		FDEERN
C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1	ZINC000173690246	524436061	/nfs/dbraw/zinc/43/60/61/524436061.db2.gz	XIRGJLDRTCQKEJ-HNNXBMFYSA-N	0	0	355.398	1.645	10	30		FDEERN
C=CCCOCCNC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000122655277	524583478	/nfs/dbraw/zinc/58/34/78/524583478.db2.gz	SLBSUJHTBSWOMM-SFHVURJKSA-N	0	0	368.522	1.016	10	30		FDEERN
C=CCNC(=O)c1ccc(N2CCN(c3nccc(OCC)n3)CC2)nc1	ZINC000174741988	524721163	/nfs/dbraw/zinc/72/11/63/524721163.db2.gz	GYQVGYCSEYDFPR-UHFFFAOYSA-N	0	0	368.441	1.513	10	30		FDEERN
N#Cc1ccc(OC[C@@H](O)Cn2cnc3c2ncnc3N2CCCC2)cc1	ZINC000114215491	524761957	/nfs/dbraw/zinc/76/19/57/524761957.db2.gz	XEILZFIPCOFVBD-HNNXBMFYSA-N	0	0	364.409	1.738	10	30		FDEERN
CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000175042359	524849412	/nfs/dbraw/zinc/84/94/12/524849412.db2.gz	VBUXXHAKCORPNN-JKSUJKDBSA-N	0	0	356.470	1.881	10	30		FDEERN
CC[C@H](C#N)NS(=O)(=O)c1ccc(Br)cc1C(=O)OC	ZINC000160842480	524981222	/nfs/dbraw/zinc/98/12/22/524981222.db2.gz	HOTOYKPEXJAWMK-SECBINFHSA-N	0	0	361.217	1.816	10	30		FDEERN
COc1ccc(S(=O)(=O)N/N=C/c2ccc(O)c(O)c2)cc1OC	ZINC000020259200	525017303	/nfs/dbraw/zinc/01/73/03/525017303.db2.gz	NDJOCVSABPLXJL-CXUHLZMHSA-N	0	0	352.368	1.427	10	30		FDEERN
Cc1nn(C)c(C)c1CN1CCN(C(=O)NCc2ccc(C#N)cc2)CC1	ZINC000115656469	525039438	/nfs/dbraw/zinc/03/94/38/525039438.db2.gz	LQZOZEAGTLABNZ-UHFFFAOYSA-N	0	0	366.469	1.936	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21	ZINC000176100295	525053067	/nfs/dbraw/zinc/05/30/67/525053067.db2.gz	FNGCUGWXJOUFDQ-LBPRGKRZSA-N	0	0	357.345	1.019	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c(C(F)(F)F)c1	ZINC000097013429	525168126	/nfs/dbraw/zinc/16/81/26/525168126.db2.gz	QZZKQDDKIYKNBA-NSHDSACASA-N	0	0	371.344	1.982	10	30		FDEERN
CC[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1cccc([N+](=O)[O-])c1	ZINC000125628329	525220405	/nfs/dbraw/zinc/22/04/05/525220405.db2.gz	FQUOOMHZNRSALA-CQSZACIVSA-N	0	0	370.369	1.911	10	30		FDEERN
N#Cc1ccsc1C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1	ZINC000117310181	525317675	/nfs/dbraw/zinc/31/76/75/525317675.db2.gz	JXQIMORXTKUJPS-INIZCTEOSA-N	0	0	371.462	1.817	10	30		FDEERN
CN(CC(=O)Nc1sccc1C#N)[C@H]1CCCN(c2cccnn2)C1	ZINC000106077163	525565822	/nfs/dbraw/zinc/56/58/22/525565822.db2.gz	ZWURJDQTYMQVIR-AWEZNQCLSA-N	0	0	356.455	1.949	10	30		FDEERN
CC(C)c1nnc2n1C[C@H](NC(=O)Cc1cccc(OCC#N)c1)CC2	ZINC000179393019	525573731	/nfs/dbraw/zinc/57/37/31/525573731.db2.gz	PNIUOHBKAHXMMB-OAHLLOKOSA-N	0	0	353.426	1.978	10	30		FDEERN
C=C(C)CN(CC)C(=O)CN1CCN(c2nc(C)cc(OCC)n2)CC1	ZINC000106153900	525636727	/nfs/dbraw/zinc/63/67/27/525636727.db2.gz	VUQNIKYMXCCGKN-UHFFFAOYSA-N	0	0	361.490	1.730	10	30		FDEERN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000106155730	525640748	/nfs/dbraw/zinc/64/07/48/525640748.db2.gz	ZOMKKZJUZMYPMP-KRWDZBQOSA-N	0	0	372.517	1.659	10	30		FDEERN
Cc1oc(NC(=O)[C@@H](C)N2CCO[C@H](Cn3cccn3)C2)c(C#N)c1C	ZINC000106190808	525661269	/nfs/dbraw/zinc/66/12/69/525661269.db2.gz	CXTPCTZVRBBTIQ-HIFRSBDPSA-N	0	0	357.414	1.693	10	30		FDEERN
CCCCCCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000106384808	525707700	/nfs/dbraw/zinc/70/77/00/525707700.db2.gz	HABWUWJGNVZVPU-XABWRGDLSA-N	0	0	362.463	1.250	10	30		FDEERN
Cn1nccc1C[NH+]=C([O-])NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000328616672	527605767	/nfs/dbraw/zinc/60/57/67/527605767.db2.gz	BZZXLWSVRSWRNI-JTQLQIEISA-N	0	0	356.352	1.902	10	30		FDEERN
CCc1nnc([C@H]2CN(C(=O)C3(c4ccc(C#N)cc4)CC3)CCO2)[nH]1	ZINC000187558839	536269270	/nfs/dbraw/zinc/26/92/70/536269270.db2.gz	AKQNKJVURTVKNI-OAHLLOKOSA-N	0	0	351.410	1.870	10	30		FDEERN
CC(C)[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(N)=O	ZINC000189537457	537062179	/nfs/dbraw/zinc/06/21/79/537062179.db2.gz	QEJYIYRVNPRUJJ-NSHDSACASA-N	0	0	356.304	1.142	10	30		FDEERN
COC(=O)c1cc(N2CCN(c3ncccc3C#N)CC2)ccc1[N+](=O)[O-]	ZINC000247811269	537152046	/nfs/dbraw/zinc/15/20/46/537152046.db2.gz	CQNZHRJHWVHKEY-UHFFFAOYSA-N	0	0	367.365	1.975	10	30		FDEERN
COCCN1C(=O)C[C@@H](CNc2ccc(C#N)cn2)[C@@H]1c1cnn(C)c1	ZINC000275309059	537552979	/nfs/dbraw/zinc/55/29/79/537552979.db2.gz	NTIBLJOVCNGECB-KBXCAEBGSA-N	0	0	354.414	1.335	10	30		FDEERN
C#CCNC(=O)CNc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl	ZINC000302730666	676541673	/nfs/dbraw/zinc/54/16/73/676541673.db2.gz	LXFGJFVIHQXOMN-UHFFFAOYSA-N	0	0	352.728	1.325	10	30		FDEERN
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000374548612	678086737	/nfs/dbraw/zinc/08/67/37/678086737.db2.gz	HWPFBKWCHKQYGE-UONOGXRCSA-N	0	0	366.491	1.620	10	30		FDEERN
C[N@+]1(CC(=O)[O-])CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1	ZINC000504172891	717183399	/nfs/dbraw/zinc/18/33/99/717183399.db2.gz	KTCKPDPJTAUEPP-UIFIKXQLSA-O	0	0	362.446	1.911	10	30		FDEERN
CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CCO2)cn1	ZINC000190524783	178007171	/nfs/dbraw/zinc/00/71/71/178007171.db2.gz	HAPDPVZEIPLMPI-INIZCTEOSA-N	0	0	371.372	1.452	10	30		FDEERN
CN1CCO[C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1	ZINC000194605321	178217496	/nfs/dbraw/zinc/21/74/96/178217496.db2.gz	RFPYOVMZBHERNS-INIZCTEOSA-N	0	0	355.394	1.791	10	30		FDEERN
CC[C@@](C)(NS(=O)(=O)c1sccc1Br)/C(N)=N/O	ZINC000042524631	208294659	/nfs/dbraw/zinc/29/46/59/208294659.db2.gz	CFHHWVREYZYKDL-SECBINFHSA-N	0	0	356.267	1.704	10	30		FDEERN
C[C@@H](C/C(N)=N/O)N(C)C(=O)c1ccccc1I	ZINC000063090892	208605875	/nfs/dbraw/zinc/60/58/75/208605875.db2.gz	WPWZIPZKIBVTBE-QMMMGPOBSA-N	0	0	361.183	1.888	10	30		FDEERN
Cc1noc([C@H](C)N2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)n1	ZINC000106133423	172423686	/nfs/dbraw/zinc/42/36/86/172423686.db2.gz	XSFRZZZOZYTUKU-KGLIPLIRSA-N	0	0	368.441	1.956	10	30		FDEERN
CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000128389692	173109262	/nfs/dbraw/zinc/10/92/62/173109262.db2.gz	WJTJHTDKDQRMIS-CQSZACIVSA-N	0	0	358.427	1.033	10	30		FDEERN
Cc1sc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c(C#N)c1C	ZINC000177139521	174108560	/nfs/dbraw/zinc/10/85/60/174108560.db2.gz	ULGFUDGQPUJTOA-CQSZACIVSA-N	0	0	359.455	1.773	10	30		FDEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1	ZINC000180967950	174198388	/nfs/dbraw/zinc/19/83/88/174198388.db2.gz	PBNMBEJXZOBFCN-GFCCVEGCSA-N	0	0	365.846	1.904	10	30		FDEERN
CCc1nnc([C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3C)CCO2)[nH]1	ZINC000173738040	258308996	/nfs/dbraw/zinc/30/89/96/258308996.db2.gz	OACMSCFXRGGZKJ-ZDUSSCGKSA-N	0	0	361.427	1.309	10	30		FDEERN
CC1(C)COCCN1CCNC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000184493172	258381898	/nfs/dbraw/zinc/38/18/98/258381898.db2.gz	CPENYJLEOSPIRR-UHFFFAOYSA-N	0	0	358.442	1.442	10	30		FDEERN
Cc1cc(NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C#N)c(C)n1	ZINC000301784762	259033631	/nfs/dbraw/zinc/03/36/31/259033631.db2.gz	OMAQABPZZTXVGV-STQMWFEESA-N	0	0	352.460	1.421	10	30		FDEERN
N#Cc1ccc(OC2CN(C(=O)[C@@H]3CSCN3C(=O)C3CCC3)C2)cc1	ZINC000329749462	259110592	/nfs/dbraw/zinc/11/05/92/259110592.db2.gz	UHVCUCHXZZQAAA-KRWDZBQOSA-N	0	0	371.462	1.849	10	30		FDEERN
C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O	ZINC000103585906	518556537	/nfs/dbraw/zinc/55/65/37/518556537.db2.gz	HPDHKHMHQGCNPE-YYTDJRSDSA-N	0	0	365.426	1.010	10	30	biogenic,in-vitro	FDEERN
C#CCNC(=O)c1ccc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)nc1	ZINC000078518543	523598249	/nfs/dbraw/zinc/59/82/49/523598249.db2.gz	LYHFSCCGYRADNH-CYBMUJFWSA-N	0	0	368.359	1.340	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(C(=O)COc3ccccc3C#N)CC2)n1	ZINC000110897462	524156270	/nfs/dbraw/zinc/15/62/70/524156270.db2.gz	FXRIURCTUCBCCQ-ZDUSSCGKSA-N	0	0	355.398	1.534	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cccc(C)c2C#N)C[C@H]1CC	ZINC000157667096	524317197	/nfs/dbraw/zinc/31/71/97/524317197.db2.gz	KLJNTXQQHVEMCX-MRXNPFEDSA-N	0	0	365.499	1.988	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)CC2	ZINC000157809358	524344141	/nfs/dbraw/zinc/34/41/41/524344141.db2.gz	KNSIGUAKMKKCJD-ZDUSSCGKSA-N	0	0	363.418	1.706	10	30		FDEERN
C[C@H](C#N)Oc1ccc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1	ZINC000092044795	524834090	/nfs/dbraw/zinc/83/40/90/524834090.db2.gz	TUWSOHWRZXKCFQ-QAPCUYQASA-N	0	0	363.483	1.977	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1	ZINC000177116008	525241225	/nfs/dbraw/zinc/24/12/25/525241225.db2.gz	JJMDLPWUFPJQRF-HNNXBMFYSA-N	0	0	359.361	1.870	10	30		FDEERN
N#Cc1cccc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)c1	ZINC000117311500	525317536	/nfs/dbraw/zinc/31/75/36/525317536.db2.gz	CLOFXXDJMHTFNI-LJQANCHMSA-N	0	0	365.433	1.756	10	30		FDEERN
C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCc3nc(CC)nn3C2)c1	ZINC000177638499	525324349	/nfs/dbraw/zinc/32/43/49/525324349.db2.gz	PYOMBAPXMRHSQA-AWEZNQCLSA-N	0	0	369.425	1.475	10	30		FDEERN
CC[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CCN1CCOC	ZINC000117372623	525332424	/nfs/dbraw/zinc/33/24/24/525332424.db2.gz	CWANKEMRYNCECU-QGZVFWFLSA-N	0	0	351.472	1.431	10	30		FDEERN
N#CCCN(Cc1ccccn1)C[C@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000178388354	525420262	/nfs/dbraw/zinc/42/02/62/525420262.db2.gz	LJJZENCCNIOFAM-INIZCTEOSA-N	0	0	364.405	1.454	10	30		FDEERN
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc2n1CCCC2	ZINC000165583829	525555554	/nfs/dbraw/zinc/55/55/54/525555554.db2.gz	WJPNTLRTRJWGOI-SNVBAGLBSA-N	0	0	372.816	1.955	10	30		FDEERN
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCN(c2cccnn2)CC1	ZINC000106071386	525560761	/nfs/dbraw/zinc/56/07/61/525560761.db2.gz	UBKFOUSHPCZRPO-OAHLLOKOSA-N	0	0	350.426	1.888	10	30		FDEERN
CCN(C[C@H](C)C#N)C(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000106096093	525577163	/nfs/dbraw/zinc/57/71/63/525577163.db2.gz	BXXGDBCOXFWOHP-MJGOQNOKSA-N	0	0	358.486	1.346	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(CCC(=O)Nc3ccccc3C#N)CC2)n1	ZINC000106133131	525623173	/nfs/dbraw/zinc/62/31/73/525623173.db2.gz	LIXOFULQHUPDHR-AWEZNQCLSA-N	0	0	368.441	1.957	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(CC(=O)N(CC)C[C@H](C)C#N)CC2)n1	ZINC000106137161	525627267	/nfs/dbraw/zinc/62/72/67/525627267.db2.gz	SKFREKBKKSUUNJ-CABCVRRESA-N	0	0	362.478	1.319	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN([C@@H](C)c2nc(CC)no2)CC1	ZINC000106137774	525627699	/nfs/dbraw/zinc/62/76/99/525627699.db2.gz	FQCPWNUOWHHTNV-JKSUJKDBSA-N	0	0	361.490	1.900	10	30		FDEERN
Cc1oc(NC(=O)CN2CCCN(Cc3cnn(C)c3)CC2)c(C#N)c1C	ZINC000106155601	525639463	/nfs/dbraw/zinc/63/94/63/525639463.db2.gz	ZLZUYGIULSZJTF-UHFFFAOYSA-N	0	0	370.457	1.648	10	30		FDEERN
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000106157706	525641696	/nfs/dbraw/zinc/64/16/96/525641696.db2.gz	VJGJYJVCBXAHHK-MRXNPFEDSA-N	0	0	366.469	1.827	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(CC(=O)Nc3cccc(C#N)c3)CCO2)n1	ZINC000106203133	525668964	/nfs/dbraw/zinc/66/89/64/525668964.db2.gz	RYTYJGZRNFSWNS-GOSISDBHSA-N	0	0	353.426	1.711	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(CC(=O)Nc3ccc(C#N)cc3)CCO2)n1	ZINC000106202678	525669502	/nfs/dbraw/zinc/66/95/02/525669502.db2.gz	YXGBOBPSCUDPRP-SFHVURJKSA-N	0	0	353.426	1.711	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)CC2	ZINC000129906489	525702130	/nfs/dbraw/zinc/70/21/30/525702130.db2.gz	QTZCWXMSWLANJJ-HNNXBMFYSA-N	0	0	353.426	1.978	10	30		FDEERN
C=CCc1cc(C(=O)N2CCN(C[C@@H](O)CC)CC2)cc(OC)c1OC	ZINC000106397958	525713581	/nfs/dbraw/zinc/71/35/81/525713581.db2.gz	ATEJAFWHVZEMFA-KRWDZBQOSA-N	0	0	362.470	1.961	10	30		FDEERN
Cn1nccc1C1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000119421588	525740975	/nfs/dbraw/zinc/74/09/75/525740975.db2.gz	ZSYYSVGADISTPC-UHFFFAOYSA-N	0	0	355.373	1.776	10	30		FDEERN
C=CCn1c2nnc(SCC(=O)N[C@@H]3C[C@@H]3C)n2c2ccccc2c1=O	ZINC000171070429	525825038	/nfs/dbraw/zinc/82/50/38/525825038.db2.gz	ICWAPBQPMFKPLH-WCQYABFASA-N	0	0	369.450	1.847	10	30		FDEERN
CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000171256512	525919210	/nfs/dbraw/zinc/91/92/10/525919210.db2.gz	DUSZANLKQCHVPI-GFCCVEGCSA-N	0	0	366.368	1.699	10	30		FDEERN
Cn1cc(C[NH+]=C([O-])NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)cn1	ZINC000328622838	527196045	/nfs/dbraw/zinc/19/60/45/527196045.db2.gz	ISGDBKDHQSTBRD-SNVBAGLBSA-N	0	0	356.352	1.902	10	30		FDEERN
CCO[C@@H]1C[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C12CCOCC2	ZINC000185151366	536200269	/nfs/dbraw/zinc/20/02/69/536200269.db2.gz	DLBDIWUYPWRWGU-IAGOWNOFSA-N	0	0	364.467	1.952	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000188218481	536286364	/nfs/dbraw/zinc/28/63/64/536286364.db2.gz	UQCXHGBWXLWWDF-CQSZACIVSA-N	0	0	352.394	1.387	10	30		FDEERN
Cc1cc(C)c2ncc(C#N)c(N3CCO[C@H](C[N@@H+](C)CC(=O)[O-])C3)c2c1	ZINC000263377603	537025115	/nfs/dbraw/zinc/02/51/15/537025115.db2.gz	BRVYHNOIPFRBLL-MRXNPFEDSA-N	0	0	368.437	1.945	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1C	ZINC000247067326	537077658	/nfs/dbraw/zinc/07/76/58/537077658.db2.gz	KNBUJSQXMLVYOY-OAHLLOKOSA-N	0	0	351.472	1.431	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1C	ZINC000247097923	537081452	/nfs/dbraw/zinc/08/14/52/537081452.db2.gz	MKOHENUMVYHXSX-CYBMUJFWSA-N	0	0	371.890	1.943	10	30		FDEERN
CCn1cc([C@H]2CN(C(=O)Cc3ccc(OCC#N)cc3)CCO2)cn1	ZINC000191762324	537211987	/nfs/dbraw/zinc/21/19/87/537211987.db2.gz	MEOCWPAYQMHBDO-GOSISDBHSA-N	0	0	354.410	1.948	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(S(=O)(=O)NCC=C)c(Cl)cc1C	ZINC000584614696	551524067	/nfs/dbraw/zinc/52/40/67/551524067.db2.gz	DJYNWZDWNOZIKG-UHFFFAOYSA-N	0	0	364.876	1.577	10	30		FDEERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cc(Br)c(C#N)cc1F	ZINC000596432892	552678821	/nfs/dbraw/zinc/67/88/21/552678821.db2.gz	GPVKXVOFVVNDBG-NWDGAFQWSA-N	0	0	363.208	1.684	10	30		FDEERN
N#Cc1cc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)ccc1Cl	ZINC000328620433	570763065	/nfs/dbraw/zinc/76/30/65/570763065.db2.gz	GZSZPBHCXJMXTI-NSHDSACASA-N	0	0	350.831	1.949	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@@H]1CCCN(C([O-])=[NH+]CCn2cccc2)CC1	ZINC000328629087	571136221	/nfs/dbraw/zinc/13/62/21/571136221.db2.gz	HXQPQKRCDXEPDG-MRXNPFEDSA-N	0	0	371.489	1.761	10	30		FDEERN
C#CCN(C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)C1CCCC1	ZINC000126371518	671758523	/nfs/dbraw/zinc/75/85/23/671758523.db2.gz	PKXSVUKBEIIWLH-CYBMUJFWSA-N	0	0	359.451	1.518	10	30		FDEERN
C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O	ZINC000169300555	206758564	/nfs/dbraw/zinc/75/85/64/206758564.db2.gz	BOJKULTULYSRAS-GDPNWMGLSA-N	0	0	350.455	1.963	10	30		FDEERN
C=C1C(=O)[C@]23[C@H](O)[C@H]1[C@@H](O)C[C@H]2[C@@]1(C)[C@H](C[C@H]3O)C(C)(C)CC[C@@H]1O	ZINC000034043543	208102921	/nfs/dbraw/zinc/10/29/21/208102921.db2.gz	NFENNPKUXFGPST-WEMBNSTNSA-N	0	0	350.455	1.038	10	30	biogenic,in-vitro	FDEERN
C[C@H](CN(C)S(=O)(=O)c1sccc1Br)/C(N)=N/O	ZINC000042459483	208293113	/nfs/dbraw/zinc/29/31/13/208293113.db2.gz	FHMUUYIVNAMTTJ-ZCFIWIBFSA-N	0	0	356.267	1.514	10	30		FDEERN
CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)Cc2ccccc2C#N)C1	ZINC000095083093	209018825	/nfs/dbraw/zinc/01/88/25/209018825.db2.gz	WBGYLWFRDPGLKV-HNNXBMFYSA-N	0	0	365.455	1.987	10	30		FDEERN
Cn1cc([C@@H]2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)cn1	ZINC000125489294	173007656	/nfs/dbraw/zinc/00/76/56/173007656.db2.gz	LSTWSAWFFVVNKY-LLVKDONJSA-N	0	0	352.366	1.748	10	30		FDEERN
N#Cc1ccc(C(=O)NCC(=O)N2CCC(Cn3cccn3)CC2)cc1	ZINC000131955552	173218086	/nfs/dbraw/zinc/21/80/86/173218086.db2.gz	MXTHSKNNXOGUJX-UHFFFAOYSA-N	0	0	351.410	1.423	10	30		FDEERN
CC(C)[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(N)=O	ZINC000155201803	173529007	/nfs/dbraw/zinc/52/90/07/173529007.db2.gz	BUTFYFVIDKOKPK-NSHDSACASA-N	0	0	360.233	1.109	10	30		FDEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000175881385	174034295	/nfs/dbraw/zinc/03/42/95/174034295.db2.gz	ZFGSDCFLPZKDSP-INIZCTEOSA-N	0	0	365.441	1.825	10	30		FDEERN
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1	ZINC000177336929	174122267	/nfs/dbraw/zinc/12/22/67/174122267.db2.gz	BEWYVJRRJYWMNF-OAHLLOKOSA-N	0	0	369.404	1.656	10	30		FDEERN
Cc1nc(CN2CCCN(C(=O)NCc3ccc(C#N)cc3)CC2)no1	ZINC000173794404	258310973	/nfs/dbraw/zinc/31/09/73/258310973.db2.gz	IESGONVKTLQZFI-UHFFFAOYSA-N	0	0	354.414	1.667	10	30		FDEERN
C[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)C[C@H]1N1CCOCC1	ZINC000173863623	258313149	/nfs/dbraw/zinc/31/31/49/258313149.db2.gz	FAKWKHLYXGKLGL-CRAIPNDOSA-N	0	0	359.495	1.971	10	30		FDEERN
Cc1cc(N2CCC[C@H](NS(=O)(=O)c3ccc(C#N)cc3)C2=O)n(C)n1	ZINC000174040696	258317946	/nfs/dbraw/zinc/31/79/46/258317946.db2.gz	GKGFMYRRBJFPEP-HNNXBMFYSA-N	0	0	373.438	1.074	10	30		FDEERN
Cc1noc(C)c1CC(=O)N1CCN(c2nnc(C)c(C)c2C#N)CC1	ZINC000301130686	259021583	/nfs/dbraw/zinc/02/15/83/259021583.db2.gz	YDFPMBMHDKXJRX-UHFFFAOYSA-N	0	0	354.414	1.461	10	30		FDEERN
Cn1ncc(N2CCc3c(C#N)c(N)sc3C2)c(Br)c1=O	ZINC000301244792	259023973	/nfs/dbraw/zinc/02/39/73/259023973.db2.gz	PQWREJRWKZQGDO-UHFFFAOYSA-N	0	0	366.244	1.621	10	30		FDEERN
Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000329027925	259073341	/nfs/dbraw/zinc/07/33/41/259073341.db2.gz	KHWLHYRCDBDTEE-IAGOWNOFSA-N	0	0	352.394	1.659	10	30		FDEERN
N#Cc1ccc(NC(=O)C(=O)NC2CCN(c3ncccn3)CC2)cc1	ZINC000041453149	519657299	/nfs/dbraw/zinc/65/72/99/519657299.db2.gz	YARSMPDNHWGVGD-UHFFFAOYSA-N	0	0	350.382	1.072	10	30		FDEERN
CC(=O)NCc1ccc(S(=O)(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	ZINC000003097822	519677886	/nfs/dbraw/zinc/67/78/86/519677886.db2.gz	CFXFNQBMFDHZON-DEDYPNTBSA-N	0	0	374.466	1.701	10	30		FDEERN
CCc1nnc(N[C@H]2CCCN(c3nccn(C)c3=O)C2)c(C#N)c1CC	ZINC000275783187	522781082	/nfs/dbraw/zinc/78/10/82/522781082.db2.gz	YSZSLGZPQKMYQM-ZDUSSCGKSA-N	0	0	367.457	1.648	10	30		FDEERN
COC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000066241561	522997925	/nfs/dbraw/zinc/99/79/25/522997925.db2.gz	OUGLUSOUENETKK-CYBMUJFWSA-N	0	0	353.382	1.351	10	30		FDEERN
C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2C)CC1	ZINC000076993868	523232106	/nfs/dbraw/zinc/23/21/06/523232106.db2.gz	YSTDUUBKWCOPHZ-OALUTQOASA-N	0	0	353.466	1.382	10	30		FDEERN
N#Cc1cc([N+](=O)[O-])ccc1N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000053898825	523534259	/nfs/dbraw/zinc/53/42/59/523534259.db2.gz	FAOXCGSKXBIWCU-CVEARBPZSA-N	0	0	358.310	1.881	10	30		FDEERN
C=CCSCCNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1	ZINC000172069749	524108271	/nfs/dbraw/zinc/10/82/71/524108271.db2.gz	SDGHEZYCXMFXRB-UHFFFAOYSA-N	0	0	351.520	1.783	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(Cc3cnc4ccc(C#N)cn34)CC2)n1	ZINC000121277091	524207753	/nfs/dbraw/zinc/20/77/53/524207753.db2.gz	ZDAJLVPIDMFOEQ-ZDUSSCGKSA-N	0	0	351.414	1.776	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)CC2	ZINC000157809206	524343465	/nfs/dbraw/zinc/34/34/65/524343465.db2.gz	KNSIGUAKMKKCJD-CYBMUJFWSA-N	0	0	363.418	1.706	10	30		FDEERN
CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(C#N)ccc1F	ZINC000174423112	524572692	/nfs/dbraw/zinc/57/26/92/524572692.db2.gz	NBNQCANIWKIHDF-HNNXBMFYSA-N	0	0	353.419	1.518	10	30		FDEERN
CC(C)(C)n1cc(CN2CCN(C(=O)c3ccc(C#N)cn3)CC2)cn1	ZINC000113858727	524722441	/nfs/dbraw/zinc/72/24/41/524722441.db2.gz	ANAIFQSWEBONMV-UHFFFAOYSA-N	0	0	352.442	1.863	10	30		FDEERN
CNS(=O)(=O)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	ZINC000175194803	524899199	/nfs/dbraw/zinc/89/91/99/524899199.db2.gz	IUNUZVBRIRCMEE-UHFFFAOYSA-N	0	0	350.425	1.093	10	30		FDEERN
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161071314	525026598	/nfs/dbraw/zinc/02/65/98/525026598.db2.gz	NYABSKRRUUSPMM-INIZCTEOSA-N	0	0	354.414	1.323	10	30		FDEERN
Cc1nc2c(cnn2C)c(N2CCN(C(=O)C#Cc3ccccc3)CC2)n1	ZINC000176308555	525081740	/nfs/dbraw/zinc/08/17/40/525081740.db2.gz	CDZJHLDGKWYZDJ-UHFFFAOYSA-N	0	0	360.421	1.372	10	30		FDEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1	ZINC000116229638	525120754	/nfs/dbraw/zinc/12/07/54/525120754.db2.gz	FNGKFMRDGKZQQA-OAHLLOKOSA-N	0	0	374.466	1.514	10	30		FDEERN
C[C@H](C#N)NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000125430321	525198028	/nfs/dbraw/zinc/19/80/28/525198028.db2.gz	DBKKFYSANVENIN-SFYZADRCSA-N	0	0	350.172	1.462	10	30		FDEERN
CC[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1cccc([N+](=O)[O-])c1	ZINC000125628166	525219488	/nfs/dbraw/zinc/21/94/88/525219488.db2.gz	FQUOOMHZNRSALA-AWEZNQCLSA-N	0	0	370.369	1.911	10	30		FDEERN
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000126141644	525278179	/nfs/dbraw/zinc/27/81/79/525278179.db2.gz	UHJVHBVOWVOPIC-CQSZACIVSA-N	0	0	352.394	1.618	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3)CCO2)n1	ZINC000177654753	525326424	/nfs/dbraw/zinc/32/64/24/525326424.db2.gz	LNIMJNUGHBFPMH-QGZVFWFLSA-N	0	0	367.409	1.238	10	30		FDEERN
COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000126600092	525331159	/nfs/dbraw/zinc/33/11/59/525331159.db2.gz	QBXCHAUEDAUQNL-GFCCVEGCSA-N	0	0	365.390	1.249	10	30		FDEERN
CNC(=O)[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(C)C	ZINC000178674798	525462798	/nfs/dbraw/zinc/46/27/98/525462798.db2.gz	XTXCVECCZYJCJR-GOSISDBHSA-N	0	0	358.442	1.600	10	30		FDEERN
N#CCCCCS(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000178696664	525464451	/nfs/dbraw/zinc/46/44/51/525464451.db2.gz	YQHWSUKUTMHQRI-KRWDZBQOSA-N	0	0	351.472	1.361	10	30		FDEERN
CCOCCN1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1C	ZINC000106111630	525601769	/nfs/dbraw/zinc/60/17/69/525601769.db2.gz	RWAUHLVZQVXEPL-IRXDYDNUSA-N	0	0	350.507	1.760	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000106135722	525625824	/nfs/dbraw/zinc/62/58/24/525625824.db2.gz	YGSVSCCQHMIOIR-UONOGXRCSA-N	0	0	368.441	1.956	10	30		FDEERN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000106155733	525638999	/nfs/dbraw/zinc/63/89/99/525638999.db2.gz	ZOMKKZJUZMYPMP-QGZVFWFLSA-N	0	0	372.517	1.659	10	30		FDEERN
Cc1cnn(C[C@H]2CN(CCC(=O)Nc3ccccc3C#N)CCO2)c1	ZINC000106196141	525664941	/nfs/dbraw/zinc/66/49/41/525664941.db2.gz	PPAQSJBMQIOSIQ-QGZVFWFLSA-N	0	0	353.426	1.793	10	30		FDEERN
C=CCNC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C	ZINC000181608700	525880254	/nfs/dbraw/zinc/88/02/54/525880254.db2.gz	BCVYRTQDZSOFOW-HNNXBMFYSA-N	0	0	351.834	1.513	10	30		FDEERN
C[C@H](C#N)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1	ZINC000120608433	526126524	/nfs/dbraw/zinc/12/65/24/526126524.db2.gz	OXSYWQLWQPEWBA-SNVBAGLBSA-N	0	0	357.382	1.394	10	30		FDEERN
Cc1nc(CN2CCCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)no1	ZINC000171863893	526157303	/nfs/dbraw/zinc/15/73/03/526157303.db2.gz	SHDCWKNHLKZABR-CQSZACIVSA-N	0	0	369.425	1.752	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)n1	ZINC000171907541	526179532	/nfs/dbraw/zinc/17/95/32/526179532.db2.gz	WLPSVILQYDVNIF-LBPRGKRZSA-N	0	0	372.404	1.977	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1	ZINC000184742767	536181465	/nfs/dbraw/zinc/18/14/65/536181465.db2.gz	IQYXTVMXLOVJAG-CQSZACIVSA-N	0	0	353.382	1.092	10	30		FDEERN
N#Cc1ccc(Cl)c(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c1	ZINC000186174159	536227834	/nfs/dbraw/zinc/22/78/34/536227834.db2.gz	ZCJXWXIIDVQTEV-UHFFFAOYSA-N	0	0	353.831	1.501	10	30		FDEERN
C[C@H]1CN([C@H](CNS(=O)(=O)CCCC#N)c2cccs2)CCO1	ZINC000246283453	536917076	/nfs/dbraw/zinc/91/70/76/536917076.db2.gz	AAHIDNJPOPZIFA-UONOGXRCSA-N	0	0	357.501	1.733	10	30		FDEERN
C[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1N1CCOCC1	ZINC000246364892	536936866	/nfs/dbraw/zinc/93/68/66/536936866.db2.gz	HAGWQJBHXONPNP-WMLDXEAASA-N	0	0	353.426	1.761	10	30		FDEERN
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000246387374	536941590	/nfs/dbraw/zinc/94/15/90/536941590.db2.gz	OPMGLPCKPLZWPD-WBVHZDCISA-N	0	0	366.421	1.634	10	30		FDEERN
N#Cc1ccsc1N1CC[C@H](N2CCCN(c3cccnn3)CC2)C1=O	ZINC000246438224	536953749	/nfs/dbraw/zinc/95/37/49/536953749.db2.gz	LUWULFZXBCJUKT-HNNXBMFYSA-N	0	0	368.466	1.727	10	30		FDEERN
C=CCOc1ccccc1CNC(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1	ZINC000263229284	536996905	/nfs/dbraw/zinc/99/69/05/536996905.db2.gz	MFAYHTDKSPTOOB-UHFFFAOYSA-N	0	0	361.442	1.988	10	30		FDEERN
CCOCCN1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C	ZINC000247733250	537146629	/nfs/dbraw/zinc/14/66/29/537146629.db2.gz	MJOOUSDXXGINBG-GOSISDBHSA-N	0	0	358.486	1.976	10	30		FDEERN
C=C[C@](C)(O)[C@H](O)C[C@H]1[C@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)[C@@H](O)[C@@]1(C)O	ZINC000248045462	537164574	/nfs/dbraw/zinc/16/45/74/537164574.db2.gz	WQGJQTTYXPLSSA-KOGIDHJKSA-N	0	0	356.503	1.610	10	30		FDEERN
O=C(CN1CCC[C@@H](n2ncc(N3CCC3)cc2=O)C1)Nc1nccs1	ZINC000328605662	571323855	/nfs/dbraw/zinc/32/38/55/571323855.db2.gz	OOTKMADKIUWNJZ-CYBMUJFWSA-N	0	0	374.470	1.835	10	30		FDEERN
CC(C)n1cc(C[C@@H]2NC(=O)N(CCOc3ccc(C#N)cc3)C2=O)nn1	ZINC000328610619	571324174	/nfs/dbraw/zinc/32/41/74/571324174.db2.gz	IQGJTWQYNLAWDJ-INIZCTEOSA-N	0	0	368.397	1.477	10	30		FDEERN
Cc1c([C@H]2[C@H](CNc3cc(C)nc(C)c3C#N)CC(=O)N2C)cnn1C	ZINC000328611510	571324212	/nfs/dbraw/zinc/32/42/12/571324212.db2.gz	LWZJBQMYBGNPQO-IFXJQAMLSA-N	0	0	352.442	1.665	10	30		FDEERN
Cn1ccnc(N2CCC[C@H](NC(=O)c3ccc4n[nH]cc4c3)C2)c1=O	ZINC000328627256	571324934	/nfs/dbraw/zinc/32/49/34/571324934.db2.gz	FYQZBUAGFVRSSP-AWEZNQCLSA-N	0	0	352.398	1.630	10	30		FDEERN
Cn1cc([C@H]2[C@H](CNC(=O)c3ccc(C#N)[nH]3)CC(=O)N2C(C)(C)C)cn1	ZINC000277633731	571327393	/nfs/dbraw/zinc/32/73/93/571327393.db2.gz	WMRVOZODKRBMBU-YVEFUNNKSA-N	0	0	368.441	1.738	10	30		FDEERN
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(C#N)c1	ZINC000011373200	670602144	/nfs/dbraw/zinc/60/21/44/670602144.db2.gz	QXRHPZNAKCAVEB-NSHDSACASA-N	0	0	354.391	1.624	10	30		FDEERN
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[C@H](C#N)c1ccccn1	ZINC000041492997	670897329	/nfs/dbraw/zinc/89/73/29/670897329.db2.gz	SXBNUGRFWDRFKK-WCQYABFASA-N	0	0	354.391	1.385	10	30		FDEERN
C=C(Br)CNC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1	ZINC000111842928	671633800	/nfs/dbraw/zinc/63/38/00/671633800.db2.gz	OXQUFZKQQAWGBJ-SNVBAGLBSA-N	0	0	358.240	1.675	10	30		FDEERN
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2COc3ccccc32)c1	ZINC000195013823	672391887	/nfs/dbraw/zinc/39/18/87/672391887.db2.gz	GPGYGBNIMQAPRD-INIZCTEOSA-N	0	0	356.403	1.462	10	30		FDEERN
O=C(CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)NCCc1c(F)cccc1F	ZINC000329173115	676623651	/nfs/dbraw/zinc/62/36/51/676623651.db2.gz	LGUUMNRJYMRQKU-XHDPSFHLSA-N	0	0	358.410	1.583	10	30		FDEERN
C=C1C[C@]23CC(=O)[C@H]4[C@]56CCC[C@@]4(C)C(=O)N(CCO)[C@@H]5[C@H]2C[C@H]1C(=O)[C@H]36	ZINC000004097750	291034771	/nfs/dbraw/zinc/03/47/71/291034771.db2.gz	SOOGRVQQQMCVQZ-CIIHXBACSA-N	0	0	369.461	1.736	10	30	biogenic,in-vitro	FDEERN
COc1cc(C=NNc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC	ZINC000005754251	207115092	/nfs/dbraw/zinc/11/50/92/207115092.db2.gz	BMAXDEGKBWHOMQ-VCHYOVAHSA-N	0	0	365.411	1.806	10	30		FDEERN
C=CCn1c(N=NCc2ccc(OC)cc2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000033909288	208100624	/nfs/dbraw/zinc/10/06/24/208100624.db2.gz	NOXIMQJGZHMRGH-ZDLGFXPLSA-N	0	0	354.370	1.064	10	30		FDEERN
C/N=C1/S/C(=C/c2ccc(OCC(=O)OC)c(OC)c2)C(=O)N1C	ZINC000033337413	208086404	/nfs/dbraw/zinc/08/64/04/208086404.db2.gz	LVEADERPIWDLRG-NZOAFPJWSA-N	0	0	350.396	1.779	10	30		FDEERN
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	ZINC000038634521	208203014	/nfs/dbraw/zinc/20/30/14/208203014.db2.gz	WNYLPFCKNQAAMB-JPDWDDBRSA-N	0	0	374.477	1.804	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(N2CCCCS2(=O)=O)ccc1OCC	ZINC000032537503	132374361	/nfs/dbraw/zinc/37/43/61/132374361.db2.gz	CBUKBAGQSGBYLJ-UHFFFAOYSA-N	0	0	374.484	1.480	10	30		FDEERN
CCOc1ccnc(N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000127457852	173077699	/nfs/dbraw/zinc/07/76/99/173077699.db2.gz	WURYUGMELWQFKS-QGZVFWFLSA-N	0	0	353.426	1.603	10	30		FDEERN
Cn1nccc1C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000128562621	173113064	/nfs/dbraw/zinc/11/30/64/173113064.db2.gz	QFQWSLAIGMNWOH-UHFFFAOYSA-N	0	0	358.467	1.945	10	30		FDEERN
Cc1nc(C[C@@H]2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)no1	ZINC000128576765	173114215	/nfs/dbraw/zinc/11/42/15/173114215.db2.gz	DYUGKBLBKBQZDT-INIZCTEOSA-N	0	0	374.466	1.978	10	30		FDEERN
CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C1	ZINC000171314661	173874207	/nfs/dbraw/zinc/87/42/07/173874207.db2.gz	ZIVJHOOWAQQIOT-HNNXBMFYSA-N	0	0	356.426	1.713	10	30		FDEERN
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CCN1CCOC	ZINC000175988929	174042819	/nfs/dbraw/zinc/04/28/19/174042819.db2.gz	XIAQPQUMHSAQKE-HNNXBMFYSA-N	0	0	362.405	1.205	10	30		FDEERN
Cc1ncc(CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)s1	ZINC000177600693	174143311	/nfs/dbraw/zinc/14/33/11/174143311.db2.gz	PHTLCFTWIGTAEF-UHFFFAOYSA-N	0	0	369.450	1.606	10	30		FDEERN
Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)cn1	ZINC000179720042	258357325	/nfs/dbraw/zinc/35/73/25/258357325.db2.gz	BNVNWEVSTHZUJN-GFCCVEGCSA-N	0	0	369.429	1.198	10	30		FDEERN
C[C@@H](N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCCC2	ZINC000173624591	258305520	/nfs/dbraw/zinc/30/55/20/258305520.db2.gz	JXBPADRFPFBNIY-CJNGLKHVSA-N	0	0	350.426	1.942	10	30		FDEERN
Cc1nnc([C@@H]2CN([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CCO2)[nH]1	ZINC000173683285	258307208	/nfs/dbraw/zinc/30/72/08/258307208.db2.gz	BIZQIJSBEHTJEL-HZMBPMFUSA-N	0	0	358.402	1.595	10	30		FDEERN
CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C)CCO2)[nH]1	ZINC000173738017	258308693	/nfs/dbraw/zinc/30/86/93/258308693.db2.gz	IFBICLRBSFITRS-CYBMUJFWSA-N	0	0	361.427	1.309	10	30		FDEERN
COCC[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1	ZINC000301663649	259031757	/nfs/dbraw/zinc/03/17/57/259031757.db2.gz	VQBSMTUKEYVMCK-CQSZACIVSA-N	0	0	362.817	1.799	10	30		FDEERN
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC#N)CC1	ZINC000073099816	522466920	/nfs/dbraw/zinc/46/69/20/522466920.db2.gz	SVYHQDVDHCIPDI-WMZOPIPTSA-N	0	0	372.469	1.995	10	30		FDEERN
CCn1cc(NC(=O)C2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)cn1	ZINC000063516806	522603551	/nfs/dbraw/zinc/60/35/51/522603551.db2.gz	KORYZVGPLLZBJZ-LJQANCHMSA-N	0	0	374.489	1.608	10	30		FDEERN
C=CCO[C@@H]1[C@@H](NC(C)=O)[C@H](OC)O[C@H](COCc2ccccc2)[C@H]1O	ZINC000077302525	523290170	/nfs/dbraw/zinc/29/01/70/523290170.db2.gz	SGMRSCAPZVOLHO-FVVUREQNSA-N	0	0	365.426	1.011	10	30	in-vitro	FDEERN
N#Cc1cccnc1N1CCCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1	ZINC000055740794	523853608	/nfs/dbraw/zinc/85/36/08/523853608.db2.gz	MOINYVLIPASYKK-UHFFFAOYSA-N	0	0	373.420	1.886	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(Cc3cnc4ccc(C#N)cn34)CC2)n1	ZINC000121276924	524207713	/nfs/dbraw/zinc/20/77/13/524207713.db2.gz	ZDAJLVPIDMFOEQ-CYBMUJFWSA-N	0	0	351.414	1.776	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)CC2	ZINC000157597423	524304013	/nfs/dbraw/zinc/30/40/13/524304013.db2.gz	SCNOUHVMEPPLLI-LBPRGKRZSA-N	0	0	365.846	1.659	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(S(=O)(=O)CCCCC#N)CC2)n1	ZINC000112093334	524403771	/nfs/dbraw/zinc/40/37/71/524403771.db2.gz	BOFPRAFOFPSYDH-ZDUSSCGKSA-N	0	0	355.464	1.334	10	30		FDEERN
C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1C	ZINC000122393171	524525007	/nfs/dbraw/zinc/52/50/07/524525007.db2.gz	AIPRBSHUCNJJHF-VXGBXAGGSA-N	0	0	357.863	1.287	10	30		FDEERN
C=CCc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc(OC)c1OC	ZINC000174338226	524541226	/nfs/dbraw/zinc/54/12/26/524541226.db2.gz	ZIGSJDSHULEVIV-LSDHHAIUSA-N	0	0	362.470	1.959	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1	ZINC000158865505	524542733	/nfs/dbraw/zinc/54/27/33/524542733.db2.gz	NQEAULQQDKWTMW-SFHVURJKSA-N	0	0	371.462	1.256	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)cc1Cl	ZINC000114209436	524758220	/nfs/dbraw/zinc/75/82/20/524758220.db2.gz	KIFIDGNXQJYIDS-LBPRGKRZSA-N	0	0	351.819	1.829	10	30		FDEERN
Cc1noc([C@H]2COCCN2CC(=O)N(CCC#N)c2ccccc2)n1	ZINC000161033113	525021020	/nfs/dbraw/zinc/02/10/20/525021020.db2.gz	LTGUVFFMQUONJP-MRXNPFEDSA-N	0	0	355.398	1.698	10	30		FDEERN
C[C@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000175880311	525022245	/nfs/dbraw/zinc/02/22/45/525022245.db2.gz	NFUISHNBVUZHFM-CQSZACIVSA-N	0	0	355.398	1.457	10	30		FDEERN
C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCc3nc(CC)nn3C2)c1	ZINC000177638487	525324116	/nfs/dbraw/zinc/32/41/16/525324116.db2.gz	PYOMBAPXMRHSQA-CQSZACIVSA-N	0	0	369.425	1.475	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3cccc(OCC#N)c3)CCO2)n1	ZINC000127165721	525391104	/nfs/dbraw/zinc/39/11/04/525391104.db2.gz	QAEMAQQWNLFSEI-LJQANCHMSA-N	0	0	368.437	1.872	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1	ZINC000178532821	525442888	/nfs/dbraw/zinc/44/28/88/525442888.db2.gz	GGMHTTQZXWJJPN-MRXNPFEDSA-N	0	0	368.414	1.641	10	30		FDEERN
Cc1noc([C@H](C)N2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000106135725	525625683	/nfs/dbraw/zinc/62/56/83/525625683.db2.gz	YGSVSCCQHMIOIR-KBPBESRZSA-N	0	0	368.441	1.956	10	30		FDEERN
CCOc1cc(C)nc(N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)n1	ZINC000106154136	525636434	/nfs/dbraw/zinc/63/64/34/525636434.db2.gz	QLGNJWRUAMZSSH-LJQANCHMSA-N	0	0	372.473	1.114	10	30		FDEERN
Cc1cnn(C[C@H]2CN(CC(=O)Nc3oc(C)c(C)c3C#N)CCO2)c1	ZINC000106196254	525665192	/nfs/dbraw/zinc/66/51/92/525665192.db2.gz	RHMANBWPIFWWEY-OAHLLOKOSA-N	0	0	357.414	1.613	10	30		FDEERN
CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000171256506	525920078	/nfs/dbraw/zinc/92/00/78/525920078.db2.gz	DUSZANLKQCHVPI-LBPRGKRZSA-N	0	0	366.368	1.699	10	30		FDEERN
COC(=O)N[C@@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)C(C)C	ZINC000108255580	525941617	/nfs/dbraw/zinc/94/16/17/525941617.db2.gz	QEZUYIUJLMJUER-IAGOWNOFSA-N	0	0	358.442	1.776	10	30		FDEERN
CC(C)c1nc2c(n1C)CCN(C(=O)C(=O)Nc1ccc(C#N)cc1)C2	ZINC000182798341	535864970	/nfs/dbraw/zinc/86/49/70/535864970.db2.gz	CPOMXGHTJKSCAC-UHFFFAOYSA-N	0	0	351.410	1.939	10	30		FDEERN
CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)C12CCOCC2	ZINC000185149223	536200372	/nfs/dbraw/zinc/20/03/72/536200372.db2.gz	WDZPPQRRPOPFJH-CVEARBPZSA-N	0	0	368.430	1.950	10	30		FDEERN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)c1C#N	ZINC000185181275	536201733	/nfs/dbraw/zinc/20/17/33/536201733.db2.gz	QPKKEBCIGZYCBA-SJORKVTESA-N	0	0	374.485	1.848	10	30		FDEERN
COc1cc(C#N)ccc1S(=O)(=O)N1CCC(Cn2cccn2)CC1	ZINC000185671023	536214906	/nfs/dbraw/zinc/21/49/06/536214906.db2.gz	FHNYALKJNABESO-UHFFFAOYSA-N	0	0	360.439	1.864	10	30		FDEERN
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000185859250	536219480	/nfs/dbraw/zinc/21/94/80/536219480.db2.gz	MAYZJRNVIMWVJF-RHSMWYFYSA-N	0	0	350.440	1.883	10	30		FDEERN
Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)n1	ZINC000186347909	536232861	/nfs/dbraw/zinc/23/28/61/536232861.db2.gz	DNXWTGCHOXKXQY-GFCCVEGCSA-N	0	0	368.802	1.665	10	30		FDEERN
N#CCC1(O)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)C1	ZINC000188677323	536925940	/nfs/dbraw/zinc/92/59/40/536925940.db2.gz	RMMIAUGTUHCFNW-HNNXBMFYSA-N	0	0	369.446	1.576	10	30		FDEERN
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCO[C@@H](Cn2cccn2)C1	ZINC000247741362	537147985	/nfs/dbraw/zinc/14/79/85/537147985.db2.gz	NSVUGRWMOUBZID-AGYKMIKPSA-N	0	0	373.501	1.903	10	30		FDEERN
C[C@](C#N)(NC(=O)CN1CCCC[C@H]1c1nnc2n1CCCC2)C1CC1	ZINC000249855955	537243173	/nfs/dbraw/zinc/24/31/73/537243173.db2.gz	DEDCMVSOJNQWQE-HNAYVOBHSA-N	0	0	356.474	1.950	10	30		FDEERN
COc1ncc(Cl)c(N2CC[C@](NC(C)=O)(c3noc(C)n3)C2)n1	ZINC000328609733	571324172	/nfs/dbraw/zinc/32/41/72/571324172.db2.gz	FQIGUUYQEUMEEX-CQSZACIVSA-N	0	0	352.782	1.912	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CCO1	ZINC000262130908	672731873	/nfs/dbraw/zinc/73/18/73/672731873.db2.gz	NWLPOXFYTVIYNE-LBPRGKRZSA-N	0	0	357.332	1.799	10	30		FDEERN
N#Cc1ccc(NCC[C@@H]2CNCCS2(=O)=O)c(Br)c1	ZINC000721811511	820557362	/nfs/dbraw/zinc/55/73/62/820557362.db2.gz	FEMHYEXTAFMRDN-LLVKDONJSA-N	0	0	358.261	1.509	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)Nc2cccc(C#N)c2)C1	ZINC000702843228	884264054	/nfs/dbraw/zinc/26/40/54/884264054.db2.gz	CBJLISYQVVWGQB-ZFWWWQNUSA-N	0	0	360.414	1.908	10	30		FDEERN
CCn1cc([C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3)CCO2)cn1	ZINC000190497774	178005328	/nfs/dbraw/zinc/00/53/28/178005328.db2.gz	HCSHGHAWAKKTMH-INIZCTEOSA-N	0	0	353.382	1.313	10	30		FDEERN
CCn1cc([C@H]2CN(CCS(=O)(=O)c3cccc(C#N)c3)CCO2)cn1	ZINC000190819939	178025460	/nfs/dbraw/zinc/02/54/60/178025460.db2.gz	DCZXHTTYPVUCGC-GOSISDBHSA-N	0	0	374.466	1.622	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000263461208	178915118	/nfs/dbraw/zinc/91/51/18/178915118.db2.gz	DRDNFHVSDGRXPH-UHFFFAOYSA-N	0	0	369.418	1.054	10	30		FDEERN
CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1O	ZINC000013122021	207451002	/nfs/dbraw/zinc/45/10/02/207451002.db2.gz	YXDKCCAMLHXTCX-CXUHLZMHSA-N	0	0	350.356	1.784	10	30		FDEERN
COC(=O)c1ccc(Nc2ncnc(N(CC#N)CC#N)c2[N+](=O)[O-])cc1	ZINC000040617953	208258023	/nfs/dbraw/zinc/25/80/23/208258023.db2.gz	CYUTVUWMFOJAHI-UHFFFAOYSA-N	0	0	367.325	1.769	10	30		FDEERN
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC(NC(=O)C2CC2)C1	ZINC000187931018	177830941	/nfs/dbraw/zinc/83/09/41/177830941.db2.gz	JCVCYTPUHRYEAU-UHFFFAOYSA-N	0	0	373.356	1.476	10	30		FDEERN
N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000172604204	258280438	/nfs/dbraw/zinc/28/04/38/258280438.db2.gz	LHRIYBCHWVQGCD-INIZCTEOSA-N	0	0	365.441	1.386	10	30		FDEERN
Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C)CCO2)c1	ZINC000172675782	258282363	/nfs/dbraw/zinc/28/23/63/258282363.db2.gz	CRSNKROQGSFVSG-INIZCTEOSA-N	0	0	360.439	1.461	10	30		FDEERN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(Nc2cccnn2)CC1	ZINC000172679826	258282483	/nfs/dbraw/zinc/28/24/83/258282483.db2.gz	XVXLOXCSTPLRSN-UHFFFAOYSA-N	0	0	357.439	1.922	10	30		FDEERN
COCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1C	ZINC000173167091	258291951	/nfs/dbraw/zinc/29/19/51/258291951.db2.gz	WHOYVOUVNHLEGA-GFCCVEGCSA-N	0	0	357.863	1.553	10	30		FDEERN
N#Cc1ccccc1S(=O)(=O)N1CCCN(C(=O)c2ccc[nH]2)CC1	ZINC000075042110	172089145	/nfs/dbraw/zinc/08/91/45/172089145.db2.gz	CAGZDEFHISPEPS-UHFFFAOYSA-N	0	0	358.423	1.423	10	30		FDEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000083741636	172207579	/nfs/dbraw/zinc/20/75/79/172207579.db2.gz	GTWVIHZNSWZKME-OAHLLOKOSA-N	0	0	366.429	1.220	10	30		FDEERN
N#Cc1ccccc1OCC(=O)N1CCC(c2ccnn2CCO)CC1	ZINC000089543434	172244560	/nfs/dbraw/zinc/24/45/60/172244560.db2.gz	XZDCRJVUOCPVLS-UHFFFAOYSA-N	0	0	354.410	1.532	10	30		FDEERN
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)n1	ZINC000091249356	172281758	/nfs/dbraw/zinc/28/17/58/172281758.db2.gz	GJVPGLSZPHVJLT-AUUYWEPGSA-N	0	0	373.457	1.602	10	30		FDEERN
CCn1cnnc1C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000128650317	173116239	/nfs/dbraw/zinc/11/62/39/173116239.db2.gz	CVOQRDWZSZNUNM-UHFFFAOYSA-N	0	0	373.482	1.823	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cn1	ZINC000158606687	173652601	/nfs/dbraw/zinc/65/26/01/173652601.db2.gz	ZYLFOQHRTHWDMM-LRDDRELGSA-N	0	0	365.361	1.728	10	30		FDEERN
C[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)C[C@H]1N1CCOCC1	ZINC000175821060	174030519	/nfs/dbraw/zinc/03/05/19/174030519.db2.gz	GGWSHWNADLXWFF-CRAIPNDOSA-N	0	0	358.442	1.299	10	30		FDEERN
Cn1cc(C#N)cc1C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000176099631	174051650	/nfs/dbraw/zinc/05/16/50/174051650.db2.gz	AFYZFLHILSPUIJ-UHFFFAOYSA-N	0	0	354.414	1.505	10	30		FDEERN
Cc1c(C)n(-c2ccccc2)c(NC(=O)CSC[C@@H](O)CO)c1C#N	ZINC000177432670	174130920	/nfs/dbraw/zinc/13/09/20/174130920.db2.gz	WPZICDHNJUOMDV-HNNXBMFYSA-N	0	0	359.451	1.991	10	30		FDEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](c2nccs2)C1	ZINC000177520540	174138429	/nfs/dbraw/zinc/13/84/29/174138429.db2.gz	MQGOQOMHCOWGCT-AWEZNQCLSA-N	0	0	356.407	1.862	10	30		FDEERN
Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)no1	ZINC000177590056	174142928	/nfs/dbraw/zinc/14/29/28/174142928.db2.gz	VAAGROSBZMBWCK-GFCCVEGCSA-N	0	0	371.372	1.809	10	30		FDEERN
N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1	ZINC000178636786	258330703	/nfs/dbraw/zinc/33/07/03/258330703.db2.gz	CRCBWNTZANWMAF-QGZVFWFLSA-N	0	0	350.426	1.462	10	30		FDEERN
O=C(NCCS)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1	ZINC000003896582	518281388	/nfs/dbraw/zinc/28/13/88/518281388.db2.gz	XDUOGATVCONGCU-UHFFFAOYSA-N	0	0	367.496	1.604	10	30		FDEERN
C=CCOC(=O)C1=C(C)OC(=O)[C@@]12c1ccccc1NC(N)=C2C(=O)OC	ZINC000020569114	518973296	/nfs/dbraw/zinc/97/32/96/518973296.db2.gz	BDJLETCDFLBMPP-IBGZPJMESA-N	0	0	370.361	1.253	10	30		FDEERN
CCC#CCN1C[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C[C@H]1C(=O)NCC	ZINC000096131032	521057974	/nfs/dbraw/zinc/05/79/74/521057974.db2.gz	CRJRNUMJFXQGOS-HKUYNNGSSA-N	0	0	366.465	1.890	10	30		FDEERN
C[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)N1CCOCC1	ZINC000046261806	522263278	/nfs/dbraw/zinc/26/32/78/522263278.db2.gz	IDMCZXOTJRHCLQ-QGZVFWFLSA-N	0	0	371.485	1.501	10	30		FDEERN
N#CCc1ccc(NC(=O)C(=O)NCc2ccnc(-n3cccn3)c2)cc1	ZINC000062068820	522510042	/nfs/dbraw/zinc/51/00/42/522510042.db2.gz	OBMSWIJNIDBLEB-UHFFFAOYSA-N	0	0	360.377	1.588	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2C)C[C@H]1CC	ZINC000172676405	524260583	/nfs/dbraw/zinc/26/05/83/524260583.db2.gz	LTFRSRKSQWYMKY-QGZVFWFLSA-N	0	0	365.499	1.988	10	30		FDEERN
Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H](C)CC#N	ZINC000111587016	524304738	/nfs/dbraw/zinc/30/47/38/524304738.db2.gz	JHGDNELZJFINON-JTQLQIEISA-N	0	0	352.350	1.612	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)n1	ZINC000173351645	524372183	/nfs/dbraw/zinc/37/21/83/524372183.db2.gz	KENZFHLPFZIMEJ-ZDUSSCGKSA-N	0	0	372.433	1.653	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)Cc3ccc(OCC#N)cc3)CCO2)c1	ZINC000112067393	524398239	/nfs/dbraw/zinc/39/82/39/524398239.db2.gz	ACNNXMDJYXRNQC-SFHVURJKSA-N	0	0	354.410	1.564	10	30		FDEERN
CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H](C)C#N)c1	ZINC000158118829	524404482	/nfs/dbraw/zinc/40/44/82/524404482.db2.gz	LBZWZGSYKANVCY-MRVPVSSYSA-N	0	0	361.217	1.816	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@H](Cn2cccn2)C1	ZINC000173788711	524456938	/nfs/dbraw/zinc/45/69/38/524456938.db2.gz	MYMANGGZMIGYJA-HNNXBMFYSA-N	0	0	358.373	1.967	10	30		FDEERN
CC(=O)N[C@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1	ZINC000151097216	524524400	/nfs/dbraw/zinc/52/44/00/524524400.db2.gz	TTYCNUYBXNTEOK-INIZCTEOSA-N	0	0	356.426	1.794	10	30		FDEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2CO)cc1	ZINC000151090082	524524410	/nfs/dbraw/zinc/52/44/10/524524410.db2.gz	LBXKGYBTQGVNDB-ZBFHGGJFSA-N	0	0	352.456	1.432	10	30		FDEERN
N#CCOc1cccc(CC(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)c1	ZINC000089853717	524535255	/nfs/dbraw/zinc/53/52/55/524535255.db2.gz	VOBHPGKXVZJZCG-MRXNPFEDSA-N	0	0	364.405	1.557	10	30		FDEERN
C#Cc1cccc(N(C)C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1	ZINC000115215129	524954004	/nfs/dbraw/zinc/95/40/04/524954004.db2.gz	CJVHHDGCISXZPJ-IEBWSBKVSA-N	0	0	350.422	1.974	10	30		FDEERN
N#CCCN(C(=O)CCC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1	ZINC000175713758	524992974	/nfs/dbraw/zinc/99/29/74/524992974.db2.gz	XFIIHLBODZQJIP-MRXNPFEDSA-N	0	0	366.425	1.956	10	30		FDEERN
CCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)N(C)C	ZINC000093901762	525006443	/nfs/dbraw/zinc/00/64/43/525006443.db2.gz	OXYRBFBKJJIDOA-HNNXBMFYSA-N	0	0	366.487	1.826	10	30		FDEERN
N#Cc1ccc(OCCNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1	ZINC000175977487	525036995	/nfs/dbraw/zinc/03/69/95/525036995.db2.gz	LZWPIXCIHJVMOZ-KRWDZBQOSA-N	0	0	355.398	1.244	10	30		FDEERN
N#Cc1cccc(C(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)c1	ZINC000117311503	525317759	/nfs/dbraw/zinc/31/77/59/525317759.db2.gz	CLOFXXDJMHTFNI-IBGZPJMESA-N	0	0	365.433	1.756	10	30		FDEERN
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1	ZINC000177634002	525323435	/nfs/dbraw/zinc/32/34/35/525323435.db2.gz	XRZMWQLESZBYOO-CQSZACIVSA-N	0	0	355.398	1.303	10	30		FDEERN
CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C[C@H]1C	ZINC000178482389	525435085	/nfs/dbraw/zinc/43/50/85/525435085.db2.gz	RMCUAXDEERGXAV-CQSZACIVSA-N	0	0	358.442	1.374	10	30		FDEERN
Cc1nc(CN2CCCN(C(=O)Cc3cccc(OCC#N)c3)CC2)no1	ZINC000179050217	525525037	/nfs/dbraw/zinc/52/50/37/525525037.db2.gz	JRDMBTPHWAPMHJ-UHFFFAOYSA-N	0	0	369.425	1.557	10	30		FDEERN
Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCCC3)c1C#N	ZINC000165511017	525553373	/nfs/dbraw/zinc/55/33/73/525553373.db2.gz	RXJDKEKRTDZVSL-LBPRGKRZSA-N	0	0	352.398	1.610	10	30		FDEERN
CCOc1ccnc(N2CCN(CC(=O)N(CC)C[C@H](C)C#N)CC2)n1	ZINC000106152221	525634521	/nfs/dbraw/zinc/63/45/21/525634521.db2.gz	RHXWGCBMAYKCPS-OAHLLOKOSA-N	0	0	360.462	1.005	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@H](C)N1CCN(c2nccc(OCC)n2)CC1	ZINC000106152409	525634959	/nfs/dbraw/zinc/63/49/59/525634959.db2.gz	ARHXNYYGNLFUJS-INIZCTEOSA-N	0	0	359.474	1.586	10	30		FDEERN
CCOc1ccnc(N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)n1	ZINC000106153247	525636892	/nfs/dbraw/zinc/63/68/92/525636892.db2.gz	XEIKANGQPXRKMN-GOSISDBHSA-N	0	0	360.462	1.052	10	30		FDEERN
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000181728213	525907372	/nfs/dbraw/zinc/90/73/72/525907372.db2.gz	PCEZEIKENIAXOI-CQSZACIVSA-N	0	0	359.455	1.875	10	30		FDEERN
CN1CCO[C@@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000171604534	526047322	/nfs/dbraw/zinc/04/73/22/526047322.db2.gz	QRZXQDGXMHOOHG-HNNXBMFYSA-N	0	0	355.360	1.687	10	30		FDEERN
Cn1cc(C[NH+]=C([O-])NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cn1	ZINC000328622837	527195619	/nfs/dbraw/zinc/19/56/19/527195619.db2.gz	ISGDBKDHQSTBRD-JTQLQIEISA-N	0	0	356.352	1.902	10	30		FDEERN
C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@@H](C)O1	ZINC000182615608	535833999	/nfs/dbraw/zinc/83/39/99/535833999.db2.gz	KFAABPSRGFKYND-MDZRGWNJSA-N	0	0	374.460	1.644	10	30		FDEERN
Cc1noc([C@H]2COCCN2CC(=O)Nc2sc(C)c(C)c2C#N)n1	ZINC000185064157	536197277	/nfs/dbraw/zinc/19/72/77/536197277.db2.gz	DJZRKEOWUULNSQ-CYBMUJFWSA-N	0	0	361.427	1.940	10	30		FDEERN
CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)C12CCOCC2	ZINC000185149206	536200289	/nfs/dbraw/zinc/20/02/89/536200289.db2.gz	WDZPPQRRPOPFJH-HZPDHXFCSA-N	0	0	368.430	1.950	10	30		FDEERN
Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(F)cc2C#N)n1	ZINC000186347417	536232814	/nfs/dbraw/zinc/23/28/14/536232814.db2.gz	ZRGKFJOZBZKULM-LBPRGKRZSA-N	0	0	352.347	1.151	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](OCC)C23CCOCC3)c1	ZINC000187290039	536260489	/nfs/dbraw/zinc/26/04/89/536260489.db2.gz	HLTGVADXKPTAOW-SJORKVTESA-N	0	0	356.422	1.697	10	30		FDEERN
COCC(=O)NC1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000188289556	536288749	/nfs/dbraw/zinc/28/87/49/536288749.db2.gz	GJZJHZGUTPOFHE-UHFFFAOYSA-N	0	0	369.343	1.213	10	30		FDEERN
CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)CC2	ZINC000188292781	536288973	/nfs/dbraw/zinc/28/89/73/536288973.db2.gz	BHOIEIGNTMVNHC-CYBMUJFWSA-N	0	0	370.388	1.482	10	30		FDEERN
CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000188295006	536289064	/nfs/dbraw/zinc/28/90/64/536289064.db2.gz	GMBSCWXZOSXRDH-CQSZACIVSA-N	0	0	352.398	1.343	10	30		FDEERN
CC[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1C[C@H](C)O	ZINC000246932316	537053788	/nfs/dbraw/zinc/05/37/88/537053788.db2.gz	AUSOBMQIUWASRD-ZWKOTPCHSA-N	0	0	358.486	1.710	10	30		FDEERN
C#CCOCCC(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000191582285	537208455	/nfs/dbraw/zinc/20/84/55/537208455.db2.gz	MLVOGNKDGKOZIW-MRXNPFEDSA-N	0	0	352.475	1.681	10	30		FDEERN
Cn1cc(C(N)=O)c([C@@H]2CCCN(S(=O)(=O)c3ccccc3C#N)C2)n1	ZINC000328603855	571283435	/nfs/dbraw/zinc/28/34/35/571283435.db2.gz	HHAXXPVIVLOGMR-CYBMUJFWSA-N	0	0	373.438	1.743	10	30		FDEERN
COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)C2CC2)C1	ZINC000328604621	571323890	/nfs/dbraw/zinc/32/38/90/571323890.db2.gz	KKLVLIKVSSKMSB-NSHDSACASA-N	0	0	356.448	1.032	10	30		FDEERN
COCCN(C)c1cnn([C@H]2CCCN(c3cccc(C#N)n3)C2)c(=O)c1	ZINC000328605760	571324020	/nfs/dbraw/zinc/32/40/20/571324020.db2.gz	PAFCWTQFNIKUPK-INIZCTEOSA-N	0	0	368.441	1.434	10	30		FDEERN
Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3C[C@@H]3c3cccnc3)C2)c1=O	ZINC000328637267	571325596	/nfs/dbraw/zinc/32/55/96/571325596.db2.gz	ONPFJPRKGXZILR-ARFHVFGLSA-N	0	0	353.426	1.904	10	30		FDEERN
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000374459661	678082897	/nfs/dbraw/zinc/08/28/97/678082897.db2.gz	CXPIAQHYECXAOW-UONOGXRCSA-N	0	0	366.491	1.478	10	30		FDEERN
C[N@+]1(CC(=O)[O-])CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1	ZINC000504172892	717183272	/nfs/dbraw/zinc/18/32/72/717183272.db2.gz	KTCKPDPJTAUEPP-WMQCIHAUSA-O	0	0	362.446	1.911	10	30		FDEERN
Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)C2)cn1	ZINC000192958448	178139699	/nfs/dbraw/zinc/13/96/99/178139699.db2.gz	GAJJVCJZNLLVSN-CQSZACIVSA-N	0	0	368.441	1.803	10	30		FDEERN
COc1cc2c(cc1OC)OC[C@H](C1=CC(=O)C(OC)=C(OC)C1=O)C2	ZINC000045097095	291038890	/nfs/dbraw/zinc/03/88/90/291038890.db2.gz	ILLAZKQERSVUDX-LLVKDONJSA-N	0	0	360.362	1.838	10	30	biogenic,in-vitro	FDEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000172639448	258281812	/nfs/dbraw/zinc/28/18/12/258281812.db2.gz	RWBDOXPLYCQAIF-CQSZACIVSA-N	0	0	366.425	1.651	10	30		FDEERN
C=C(C)CN1CCN(c2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])CC1	ZINC000058102152	132376396	/nfs/dbraw/zinc/37/63/96/132376396.db2.gz	DZTMHPHDGMCIOW-UHFFFAOYSA-N	0	0	358.398	1.946	10	30		FDEERN
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)n1	ZINC000091249357	172282000	/nfs/dbraw/zinc/28/20/00/172282000.db2.gz	GJVPGLSZPHVJLT-KUHUBIRLSA-N	0	0	373.457	1.602	10	30		FDEERN
N#Cc1cccc(CS(=O)(=O)N2CCC(Nc3cccnn3)CC2)c1	ZINC000122215111	172888791	/nfs/dbraw/zinc/88/87/91/172888791.db2.gz	PDDXOUNHLQNKKC-UHFFFAOYSA-N	0	0	357.439	1.755	10	30		FDEERN
CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000128429085	173110015	/nfs/dbraw/zinc/11/00/15/173110015.db2.gz	NAMCHXZDBXGAMK-OAHLLOKOSA-N	0	0	357.439	1.638	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)CC2	ZINC000174965410	173974740	/nfs/dbraw/zinc/97/47/40/173974740.db2.gz	MHULXSKTUDLFHU-CQSZACIVSA-N	0	0	354.414	1.405	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3)CCO2)n1	ZINC000177656799	174148182	/nfs/dbraw/zinc/14/81/82/174148182.db2.gz	UXPOTZQGOVNBCE-KRWDZBQOSA-N	0	0	367.409	1.238	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c(Cl)c1	ZINC000180336858	258366717	/nfs/dbraw/zinc/36/67/17/258366717.db2.gz	BSLXJFWZCNKHRJ-CYBMUJFWSA-N	0	0	365.846	1.904	10	30		FDEERN
Cc1nnc([C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3C#N)CCO2)[nH]1	ZINC000173661839	258306594	/nfs/dbraw/zinc/30/65/94/258306594.db2.gz	GNJRKUIHSXJMFC-AWEZNQCLSA-N	0	0	360.805	1.650	10	30		FDEERN
CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccc(C#N)cc2)ncn1	ZINC000173794041	258311221	/nfs/dbraw/zinc/31/12/21/258311221.db2.gz	KCAWKYRKBREFHK-INIZCTEOSA-N	0	0	365.441	1.858	10	30		FDEERN
CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2ccc(C#N)cc2)ncn1	ZINC000173794027	258311235	/nfs/dbraw/zinc/31/12/35/258311235.db2.gz	KCAWKYRKBREFHK-MRXNPFEDSA-N	0	0	365.441	1.858	10	30		FDEERN
N#Cc1cc(N2CCN(C(=O)N3CCOCC3)CC2)c2ccccc2n1	ZINC000301327612	259025677	/nfs/dbraw/zinc/02/56/77/259025677.db2.gz	BVKGSKWZLVSYFX-UHFFFAOYSA-N	0	0	351.410	1.681	10	30		FDEERN
C[C@@H]1CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CC[C@H](C)[C@@H](O)C3)c2)C[C@H]1O	ZINC000301963147	259036932	/nfs/dbraw/zinc/03/69/32/259036932.db2.gz	UOAQTNQSTWDUIM-OBQMCUGOSA-N	0	0	374.441	1.881	10	30		FDEERN
CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)cc2)CN1CCCSC	ZINC000091587289	521744821	/nfs/dbraw/zinc/74/48/21/521744821.db2.gz	KFGMCXUTTKYOMX-SJORKVTESA-N	0	0	374.510	1.620	10	30		FDEERN
CNN=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@@H](O)c1ccccc1	ZINC000048553274	522750040	/nfs/dbraw/zinc/75/00/40/522750040.db2.gz	KFPLRVSBMBGUNZ-AKGOGDBKSA-N	0	0	353.338	1.901	10	30		FDEERN
C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2C)CC1	ZINC000076993869	523232649	/nfs/dbraw/zinc/23/26/49/523232649.db2.gz	YSTDUUBKWCOPHZ-MOPGFXCFSA-N	0	0	353.466	1.382	10	30		FDEERN
N#Cc1ccc(N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000054370206	523629401	/nfs/dbraw/zinc/62/94/01/523629401.db2.gz	PUUSVCSDGUHFGL-GOEBONIOSA-N	0	0	358.310	1.881	10	30		FDEERN
CCn1cnnc1[C@H]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000136859638	524218071	/nfs/dbraw/zinc/21/80/71/524218071.db2.gz	JCIXZOGEOPPGIR-HNNXBMFYSA-N	0	0	352.394	1.784	10	30		FDEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000121721734	524341653	/nfs/dbraw/zinc/34/16/53/524341653.db2.gz	IFRNUNFGYJKDCU-CQSZACIVSA-N	0	0	352.398	1.610	10	30		FDEERN
Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(F)c(C#N)c3)CCO2)c1	ZINC000112094072	524402876	/nfs/dbraw/zinc/40/28/76/524402876.db2.gz	DXKGFJXGRJMQBO-AWEZNQCLSA-N	0	0	364.402	1.292	10	30		FDEERN
Cc1ccc(N2CCCN(C(=O)Cc3cccc(OCC#N)c3)CC2)nn1	ZINC000089770182	524526318	/nfs/dbraw/zinc/52/63/18/524526318.db2.gz	VBCLQQUEVCEOPZ-UHFFFAOYSA-N	0	0	365.437	1.969	10	30		FDEERN
Cc1cccc(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)c1C#N	ZINC000174946157	524809974	/nfs/dbraw/zinc/80/99/74/524809974.db2.gz	WQFZOFPDGHBWLZ-UHFFFAOYSA-N	0	0	351.410	1.945	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)c3ccccc3OCC#N)C2=O)n(C)n1	ZINC000174984780	524821543	/nfs/dbraw/zinc/82/15/43/524821543.db2.gz	QDNUWFYOMUZKST-HNNXBMFYSA-N	0	0	367.409	1.556	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3C)CCO2)n1	ZINC000114740500	524868938	/nfs/dbraw/zinc/86/89/38/524868938.db2.gz	ARBRNQHJHYEADQ-QGZVFWFLSA-N	0	0	374.466	1.770	10	30		FDEERN
C#CCOc1ccc(Br)cc1[C@H]1NC(=O)[C@H]2COCCN21	ZINC000093883211	525002298	/nfs/dbraw/zinc/00/22/98/525002298.db2.gz	VVQWCIDOGZCCJU-OCCSQVGLSA-N	0	0	351.200	1.290	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1CC	ZINC000116899101	525247514	/nfs/dbraw/zinc/24/75/14/525247514.db2.gz	BMYBOYNXIKSXAA-INIZCTEOSA-N	0	0	351.472	1.680	10	30		FDEERN
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2C)CCN1CCOC	ZINC000178482589	525436994	/nfs/dbraw/zinc/43/69/94/525436994.db2.gz	FLZRTSGRUPEQEF-MRXNPFEDSA-N	0	0	358.442	1.374	10	30		FDEERN
Cc1cnn(CCNC(=O)C(=O)Nc2ccccc2SCCC#N)c1	ZINC000118133398	525481207	/nfs/dbraw/zinc/48/12/07/525481207.db2.gz	GDXZREFVZHICCJ-UHFFFAOYSA-N	0	0	357.439	1.952	10	30		FDEERN
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCN(c2cccnn2)C1	ZINC000118672611	525520122	/nfs/dbraw/zinc/52/01/22/525520122.db2.gz	JQTKVCQJVIJCIY-GDBMZVCRSA-N	0	0	351.410	1.901	10	30		FDEERN
C[C@@H]1CN([C@@H](CNS(=O)(=O)CC2(C#N)CC2)c2cccs2)CCO1	ZINC000165845605	525561306	/nfs/dbraw/zinc/56/13/06/525561306.db2.gz	XOAUEPXEHUINPA-KGLIPLIRSA-N	0	0	369.512	1.733	10	30		FDEERN
CN(CC(=O)Nc1sccc1C#N)[C@@H]1CCCN(c2cccnn2)C1	ZINC000106077161	525565782	/nfs/dbraw/zinc/56/57/82/525565782.db2.gz	ZWURJDQTYMQVIR-CQSZACIVSA-N	0	0	356.455	1.949	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(c2nccc(OCC)n2)CC1	ZINC000106152411	525634951	/nfs/dbraw/zinc/63/49/51/525634951.db2.gz	ARHXNYYGNLFUJS-MRXNPFEDSA-N	0	0	359.474	1.586	10	30		FDEERN
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000106155758	525639252	/nfs/dbraw/zinc/63/92/52/525639252.db2.gz	XJWAOSFPNZWTHR-INIZCTEOSA-N	0	0	366.469	1.827	10	30		FDEERN
C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)COCc1ccccc1	ZINC000154842481	525656873	/nfs/dbraw/zinc/65/68/73/525656873.db2.gz	RQDRDALSFNXWTD-AEFFLSMTSA-N	0	0	367.453	1.436	10	30		FDEERN
Cn1cc(CN2CCCN(C(=O)CCc3ccc(C#N)cc3)CC2)cn1	ZINC000109656646	526157630	/nfs/dbraw/zinc/15/76/30/526157630.db2.gz	GOFORHIGGUCTKW-UHFFFAOYSA-N	0	0	351.454	1.959	10	30		FDEERN
NS(=O)(=O)c1ccc(N=NCc2cccc(O)c2O)c([N+](=O)[O-])c1	ZINC000009443782	527315081	/nfs/dbraw/zinc/31/50/81/527315081.db2.gz	GIKXWZMDBABTKS-VIZOYTHASA-N	0	0	352.328	1.099	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1N1CCOCC1	ZINC000185097869	536198457	/nfs/dbraw/zinc/19/84/57/536198457.db2.gz	DISPLHJZCNUXMG-WFASDCNBSA-N	0	0	369.874	1.553	10	30		FDEERN
Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)c1C#N	ZINC000185191560	536201861	/nfs/dbraw/zinc/20/18/61/536201861.db2.gz	UDYRQBKLFLSRSA-SJORKVTESA-N	0	0	368.437	1.332	10	30		FDEERN
C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1N1CCOCC1	ZINC000246593056	536987026	/nfs/dbraw/zinc/98/70/26/536987026.db2.gz	WVWPNRWNIOYVTM-CXAGYDPISA-N	0	0	362.861	1.803	10	30		FDEERN
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000189206757	537012247	/nfs/dbraw/zinc/01/22/47/537012247.db2.gz	XAEZCAOBYVORAC-HUUCEWRRSA-N	0	0	354.328	1.155	10	30		FDEERN
CC(C)[C@H](NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1)C(N)=O	ZINC000189536469	537062033	/nfs/dbraw/zinc/06/20/33/537062033.db2.gz	SLJZTTPNTQLHGR-SFHVURJKSA-N	0	0	363.417	1.651	10	30		FDEERN
COCCN1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C	ZINC000247540869	537131241	/nfs/dbraw/zinc/13/12/41/537131241.db2.gz	CZBHTNRXPNSVOA-QZTJIDSGSA-N	0	0	358.486	1.974	10	30		FDEERN
Cc1cnn(C[C@H]2CN([C@H](C)C(=O)Nc3ccccc3C#N)CCO2)c1	ZINC000247771865	537149342	/nfs/dbraw/zinc/14/93/42/537149342.db2.gz	PJKBDRQTIFGJHH-NVXWUHKLSA-N	0	0	353.426	1.791	10	30		FDEERN
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1	ZINC000248565143	537192552	/nfs/dbraw/zinc/19/25/52/537192552.db2.gz	NFJNGLWGEPIKEX-CABCVRRESA-N	0	0	356.426	1.613	10	30		FDEERN
CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1	ZINC000191340915	537203379	/nfs/dbraw/zinc/20/33/79/537203379.db2.gz	DXEHFQOUDWLWGS-UHFFFAOYSA-N	0	0	361.401	1.372	10	30		FDEERN
CCN1CCO[C@@H](CNc2nnc(C)c(C)c2C#N)[C@@H]1c1cnn(C)c1	ZINC000596449435	552680420	/nfs/dbraw/zinc/68/04/20/552680420.db2.gz	JWADPBKQWJNLPK-IRXDYDNUSA-N	0	0	355.446	1.573	10	30		FDEERN
C=C(C)C(=O)O[C@H]1CC2=C[C@@H](C[C@@]3(C)O[C@@H]3[C@H]3OC(=O)C(=C)[C@@H]31)OC2=O	ZINC000004098062	560195211	/nfs/dbraw/zinc/19/52/11/560195211.db2.gz	WIQOUTANBFOBPB-KIVXNUBRSA-N	0	0	360.362	1.375	10	30	in-vitro	FDEERN
O=C(CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)Nc1ccc2c(c1)OCCCO2	ZINC000329196652	676624677	/nfs/dbraw/zinc/62/46/77/676624677.db2.gz	UVQLYWPDHXBVBF-BLLLJJGKSA-N	0	0	366.439	1.555	10	30		FDEERN
C[N@+]1(CC(=O)[O-])CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1	ZINC000504172893	717183410	/nfs/dbraw/zinc/18/34/10/717183410.db2.gz	KTCKPDPJTAUEPP-YYWHXJBOSA-O	0	0	362.446	1.911	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)Nc2ccc(C#N)cc2)[C@H](O)C1	ZINC000705671502	886116064	/nfs/dbraw/zinc/11/60/64/886116064.db2.gz	FVKOJSNILSMBQI-UKRRQHHQSA-N	0	0	360.414	1.908	10	30		FDEERN
C=CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(C(=O)OC)=C1C	ZINC000058884218	210074357	/nfs/dbraw/zinc/07/43/57/210074357.db2.gz	BZHSCFFJHBOZKM-XNTDXEJSSA-N	0	0	356.378	1.409	10	30		FDEERN
C=CCNC(SCC(=O)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000040570314	210044785	/nfs/dbraw/zinc/04/47/85/210044785.db2.gz	ZJOMZYJPYVNSDY-UHFFFAOYSA-N	0	0	373.434	1.640	10	30		FDEERN
C[C@@]12CC[C@@H]3C(=O)O[C@@H](c4ccoc4)C[C@@]3(C)[C@@H]1[C@@H]1OC(=O)[C@@]2(O)[C@H]2O[C@H]21	ZINC000004097925	291042891	/nfs/dbraw/zinc/04/28/91/291042891.db2.gz	TXOMRNMZLZXJQP-ZQTGRHRJSA-N	0	0	374.389	1.744	10	30	biogenic,in-vitro	FDEERN
O=[N+]([O-])c1cc2c(cc1/C=N/NC(=S)NC[C@H]1CCCO1)OCO2	ZINC000003297951	210464121	/nfs/dbraw/zinc/46/41/21/210464121.db2.gz	ASCLVPSFADDECV-WTSVEOLSSA-N	0	0	352.372	1.301	10	30		FDEERN
CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000124898484	258261854	/nfs/dbraw/zinc/26/18/54/258261854.db2.gz	PZRCWLAZOAQLAK-GFCCVEGCSA-N	0	0	371.409	1.906	10	30		FDEERN
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ncccc2C#N)CC1	ZINC000105643677	132239189	/nfs/dbraw/zinc/23/91/89/132239189.db2.gz	BQNFJAULYCOXBR-UHFFFAOYSA-N	0	0	367.365	1.975	10	30		FDEERN
N#Cc1c(NC(=O)CCN2CCOC[C@@H]2C(N)=O)sc2c1CCCC2	ZINC000092231256	172294769	/nfs/dbraw/zinc/29/47/69/172294769.db2.gz	NVXNIBVEPLQEDM-CYBMUJFWSA-N	0	0	362.455	1.013	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)CCO2)n1	ZINC000111344957	172548631	/nfs/dbraw/zinc/54/86/31/172548631.db2.gz	JWYPWAOUJIEIOH-MRXNPFEDSA-N	0	0	360.439	1.461	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)NCc3cccc(C#N)c3)C2=O)n(C)n1	ZINC000175443456	174006167	/nfs/dbraw/zinc/00/61/67/174006167.db2.gz	JMKIFUGVEKCMQQ-MRXNPFEDSA-N	0	0	366.425	1.595	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000177620262	174145412	/nfs/dbraw/zinc/14/54/12/174145412.db2.gz	TVDUVPZKHHWPQH-LBPRGKRZSA-N	0	0	368.397	1.094	10	30		FDEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(Nc2cccnn2)CC1	ZINC000177965125	174165931	/nfs/dbraw/zinc/16/59/31/174165931.db2.gz	AJWWYIPTXUFOAM-UHFFFAOYSA-N	0	0	364.409	1.698	10	30		FDEERN
CCc1nnc([C@@H]2CN(C(=O)[C@H](C)Oc3ccccc3C#N)CCO2)[nH]1	ZINC000173561649	258303434	/nfs/dbraw/zinc/30/34/34/258303434.db2.gz	ZLYVYANNFIOMLE-WFASDCNBSA-N	0	0	355.398	1.606	10	30		FDEERN
C[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000173863612	258313017	/nfs/dbraw/zinc/31/30/17/258313017.db2.gz	FAKWKHLYXGKLGL-YJBOKZPZSA-N	0	0	359.495	1.971	10	30		FDEERN
Cc1cccc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)c1C#N	ZINC000174947474	258323884	/nfs/dbraw/zinc/32/38/84/258323884.db2.gz	CBPFTYGCKMZPMV-UHFFFAOYSA-N	0	0	351.410	1.941	10	30		FDEERN
Cc1cc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(C#N)c(C)n1	ZINC000301805758	259033834	/nfs/dbraw/zinc/03/38/34/259033834.db2.gz	XTLIRTMWKOUZPQ-UHFFFAOYSA-N	0	0	371.466	1.544	10	30		FDEERN
N#Cc1ccc(NCCCN2CCS(=O)(=O)CC2)c(Br)c1	ZINC000302026478	259037673	/nfs/dbraw/zinc/03/76/73/259037673.db2.gz	QKQPSGXSMXJZHD-UHFFFAOYSA-N	0	0	372.288	1.853	10	30		FDEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000330190201	259132249	/nfs/dbraw/zinc/13/22/49/259132249.db2.gz	MIXFRJUBMKCXFI-NZSAHSFTSA-N	0	0	366.421	1.969	10	30		FDEERN
NS(=O)(=O)c1ccc(N=NCc2ccc(O)cc2O)c([N+](=O)[O-])c1	ZINC000012311575	518601650	/nfs/dbraw/zinc/60/16/50/518601650.db2.gz	PKTGVFUDJKNDAG-VIZOYTHASA-N	0	0	352.328	1.099	10	30		FDEERN
N#Cc1ccc(N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000054370199	523630252	/nfs/dbraw/zinc/63/02/52/523630252.db2.gz	PUUSVCSDGUHFGL-ZBFHGGJFSA-N	0	0	358.310	1.881	10	30		FDEERN
C[C@@H](C(=O)N(CCC#N)CC(F)(F)F)N1C(=O)c2ccccc2C1=O	ZINC000080798834	523906822	/nfs/dbraw/zinc/90/68/22/523906822.db2.gz	KPSBZLADCWQEBP-JTQLQIEISA-N	0	0	353.300	1.976	10	30		FDEERN
C=CCOc1ccc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1	ZINC000136397598	524200154	/nfs/dbraw/zinc/20/01/54/524200154.db2.gz	QVCNFCVICKVLFC-UHFFFAOYSA-N	0	0	364.409	1.652	10	30		FDEERN
C=CCc1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc(OC)c1OC	ZINC000172761104	524268710	/nfs/dbraw/zinc/26/87/10/524268710.db2.gz	AEHSPBNHRFMPGJ-QGZVFWFLSA-N	0	0	360.454	1.979	10	30		FDEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000121721582	524341862	/nfs/dbraw/zinc/34/18/62/524341862.db2.gz	IFRNUNFGYJKDCU-AWEZNQCLSA-N	0	0	352.398	1.610	10	30		FDEERN
C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CCS1(=O)=O	ZINC000121729993	524344318	/nfs/dbraw/zinc/34/43/18/524344318.db2.gz	WFQVRHMJHKLGIK-ZDUSSCGKSA-N	0	0	374.418	1.989	10	30		FDEERN
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000159383018	524657367	/nfs/dbraw/zinc/65/73/67/524657367.db2.gz	BEIFKDLFMHOQOK-AWEZNQCLSA-N	0	0	359.455	1.875	10	30		FDEERN
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)c2C#N)CCN1CCOC	ZINC000174898170	524785885	/nfs/dbraw/zinc/78/58/85/524785885.db2.gz	XZWNTFCYDWWOCW-OAHLLOKOSA-N	0	0	358.442	1.374	10	30		FDEERN
CC[C@H](C#N)NS(=O)(=O)c1ccc(C(=O)OC)cc1Br	ZINC000160812031	524974606	/nfs/dbraw/zinc/97/46/06/524974606.db2.gz	LPOJXYQPVMAERH-SECBINFHSA-N	0	0	361.217	1.816	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCn2nc(C)nc21	ZINC000176018766	525043480	/nfs/dbraw/zinc/04/34/80/525043480.db2.gz	AMSKEEFDDBUALM-CYBMUJFWSA-N	0	0	371.372	1.327	10	30		FDEERN
Cn1cc(C#N)cc1C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1	ZINC000176098437	525053386	/nfs/dbraw/zinc/05/33/86/525053386.db2.gz	TVAJMCHEQNDGBF-QGZVFWFLSA-N	0	0	368.437	1.094	10	30		FDEERN
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(CC#N)C1CCCC1	ZINC000126066795	525269552	/nfs/dbraw/zinc/26/95/52/525269552.db2.gz	LGWUIXRSACZYJA-GFCCVEGCSA-N	0	0	360.439	1.408	10	30		FDEERN
N#Cc1cc(F)ccc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1	ZINC000177917535	525362014	/nfs/dbraw/zinc/36/20/14/525362014.db2.gz	IOYFGDYJZJTXQV-UHFFFAOYSA-N	0	0	366.360	1.489	10	30		FDEERN
CN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCN(c2cccnn2)C1	ZINC000106078897	525567106	/nfs/dbraw/zinc/56/71/06/525567106.db2.gz	QIVBCCIIQTYOED-KRWDZBQOSA-N	0	0	350.426	1.888	10	30		FDEERN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(c2ccc3nncn3n2)CC1	ZINC000106092246	525574221	/nfs/dbraw/zinc/57/42/21/525574221.db2.gz	GFHICRSFJRRMPJ-OAHLLOKOSA-N	0	0	357.462	1.059	10	30		FDEERN
CCOc1ccnc(N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000106153078	525636312	/nfs/dbraw/zinc/63/63/12/525636312.db2.gz	AHJPZFJJBPINDX-UHFFFAOYSA-N	0	0	366.425	1.508	10	30		FDEERN
C=CCNC(=O)NC(=O)CN(C)C[C@H](c1cccs1)N1CCOCC1	ZINC000106162172	525642595	/nfs/dbraw/zinc/64/25/95/525642595.db2.gz	RZVHFIYSYIZAPV-CQSZACIVSA-N	0	0	366.487	1.065	10	30		FDEERN
CC[C@@H](O)CN1CCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1	ZINC000106393023	525708924	/nfs/dbraw/zinc/70/89/24/525708924.db2.gz	DKCDOPNNWWKZNK-QGZVFWFLSA-N	0	0	361.490	1.261	10	30		FDEERN
C=CCNC(=O)CNC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C	ZINC000181744008	525916633	/nfs/dbraw/zinc/91/66/33/525916633.db2.gz	GFXNZVRWSLZLFJ-OAHLLOKOSA-N	0	0	353.369	1.138	10	30		FDEERN
C#CCCCCNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C	ZINC000155964417	526020486	/nfs/dbraw/zinc/02/04/86/526020486.db2.gz	ZVRYFJJZZIOYBE-INIZCTEOSA-N	0	0	361.467	1.669	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)NCc3ccc(C#N)cc3F)CCO2)c1	ZINC000171921940	526183781	/nfs/dbraw/zinc/18/37/81/526183781.db2.gz	NEZLKLUIOGZQHV-INIZCTEOSA-N	0	0	357.389	1.813	10	30		FDEERN
C[C@@H](O)CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1C	ZINC000184632851	536171062	/nfs/dbraw/zinc/17/10/62/536171062.db2.gz	MTKSFBVGAKVLEO-UONOGXRCSA-N	0	0	369.429	1.058	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1N1CCOCC1	ZINC000185097852	536198488	/nfs/dbraw/zinc/19/84/88/536198488.db2.gz	DISPLHJZCNUXMG-DOMZBBRYSA-N	0	0	369.874	1.553	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000185126387	536199394	/nfs/dbraw/zinc/19/93/94/536199394.db2.gz	RUZZFXDKBMGQCA-YWZLYKJASA-N	0	0	356.422	1.791	10	30		FDEERN
C=CC[C@H](CO)NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1	ZINC000185753526	536216682	/nfs/dbraw/zinc/21/66/82/536216682.db2.gz	DBOABZZQMCRBOM-NVXWUHKLSA-N	0	0	368.499	1.741	10	30		FDEERN
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1	ZINC000185903521	536220965	/nfs/dbraw/zinc/22/09/65/536220965.db2.gz	AVECDVMTEGNWHI-AWEZNQCLSA-N	0	0	361.427	1.259	10	30		FDEERN
C=CC[C@@H](CO)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21	ZINC000185939180	536222252	/nfs/dbraw/zinc/22/22/52/536222252.db2.gz	NWBZKWMBBKRNIA-BLLLJJGKSA-N	0	0	359.451	1.736	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1N1CCOCC1	ZINC000246621531	536992176	/nfs/dbraw/zinc/99/21/76/536992176.db2.gz	XULABKOIVXGZNU-MLGOLLRUSA-N	0	0	369.874	1.553	10	30		FDEERN
CCn1cc([C@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)CCO2)cn1	ZINC000248707627	537207745	/nfs/dbraw/zinc/20/77/45/537207745.db2.gz	HUDOJEUBXXWLOR-IEBWSBKVSA-N	0	0	356.426	1.588	10	30		FDEERN
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1	ZINC000377114904	537956499	/nfs/dbraw/zinc/95/64/99/537956499.db2.gz	NVWNMKLITJJJKH-YPMHNXCESA-N	0	0	353.448	1.605	10	30		FDEERN
Cc1ccc(C2=[N+]([O-])[C@@]3(CCCC/C3=N\NC(N)=S)N(O)C2(C)C)o1	ZINC000575346564	550455653	/nfs/dbraw/zinc/45/56/53/550455653.db2.gz	WSBNCJNIEJROGY-IQFISFIMSA-O	0	0	366.467	1.722	10	30		FDEERN
Cc1cn2nc(N[C@@H]3CCN(C(=O)c4sccc4C#N)C3)ccc2n1	ZINC000582563240	551242087	/nfs/dbraw/zinc/24/20/87/551242087.db2.gz	OQHUTYRDFNAUCC-CYBMUJFWSA-N	0	0	352.423	2.298	10	30		FDEERN
N#CC1([C@@](O)(C#Cc2ccccc2S(N)(=O)=O)c2ccccc2)CC1	ZINC000584597101	551523705	/nfs/dbraw/zinc/52/37/05/551523705.db2.gz	ZQMLMTLBVKANNS-LJQANCHMSA-N	0	0	352.415	1.877	10	30		FDEERN
Cc1ccc([C@@H]2C(=O)C3=C(OCC(=NCCN4CCCC4)N3)C2=O)cc1F	ZINC000584660228	551525650	/nfs/dbraw/zinc/52/56/50/551525650.db2.gz	AVXYFTZKRFKSNF-MRXNPFEDSA-N	0	0	371.412	1.695	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@H]1CCCN(C([O-])=[NH+]CCn2cccc2)CC1	ZINC000328629086	571136855	/nfs/dbraw/zinc/13/68/55/571136855.db2.gz	HXQPQKRCDXEPDG-INIZCTEOSA-N	0	0	371.489	1.761	10	30		FDEERN
CCn1ccnc(N2CCC(Nc3cc(C)nc(C)c3C#N)CC2)c1=O	ZINC000328642144	571325756	/nfs/dbraw/zinc/32/57/56/571325756.db2.gz	QWDQJEJIOCEWMZ-UHFFFAOYSA-N	0	0	352.442	1.650	10	30		FDEERN
Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C2)n1	ZINC000369223348	677503829	/nfs/dbraw/zinc/50/38/29/677503829.db2.gz	FACDOEKVAGQKCC-DOMZBBRYSA-N	0	0	354.480	1.086	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1N1CCOCC1	ZINC000248466499	178521334	/nfs/dbraw/zinc/52/13/34/178521334.db2.gz	DISPLHJZCNUXMG-SWLSCSKDSA-N	0	0	369.874	1.553	10	30		FDEERN
C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@]5(C=O)C(=O)OC	ZINC000045338460	210188208	/nfs/dbraw/zinc/18/82/08/210188208.db2.gz	RHBAENOZUZWALZ-GGZNVOGHSA-N	0	0	366.417	1.815	10	30		FDEERN
CCc1nnc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c(C#N)c1CC	ZINC000328613758	210112694	/nfs/dbraw/zinc/11/26/94/210112694.db2.gz	UBZNKPJANXGEKD-KPZWWZAWSA-N	0	0	367.457	1.838	10	30		FDEERN
CC(=O)N1CCc2c(ncn(CCCOc3cccc(C#N)c3)c2=O)C1	ZINC000275724814	181398161	/nfs/dbraw/zinc/39/81/61/181398161.db2.gz	ZGJQZIGPAKBFPG-UHFFFAOYSA-N	0	0	352.394	1.489	10	30		FDEERN
CNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)/C(=N/c2cccc(Cl)c2)S1	ZINC000058945481	212013279	/nfs/dbraw/zinc/01/32/79/212013279.db2.gz	XELUHTWWRQZMDA-KLIGIEKFSA-N	0	0	369.830	1.581	10	30		FDEERN
CC[C@H](C/C(N)=N/O)NS(=O)(=O)c1ccccc1Br	ZINC000054176531	221050764	/nfs/dbraw/zinc/05/07/64/221050764.db2.gz	FFKSNPNBSYOHQJ-MRVPVSSYSA-N	0	0	350.238	1.643	10	30		FDEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000188303398	177852954	/nfs/dbraw/zinc/85/29/54/177852954.db2.gz	HTJSWVGNRYYURW-CQSZACIVSA-N	0	0	366.425	1.651	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)NCc3cccc(C#N)c3)C2=O)n(C)n1	ZINC000175443438	174005906	/nfs/dbraw/zinc/00/59/06/174005906.db2.gz	JMKIFUGVEKCMQQ-INIZCTEOSA-N	0	0	366.425	1.595	10	30		FDEERN
N#Cc1csc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)c1	ZINC000175902069	174035416	/nfs/dbraw/zinc/03/54/16/174035416.db2.gz	QURNWTSIXNSVRQ-MRXNPFEDSA-N	0	0	371.462	1.817	10	30		FDEERN
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCO[C@@H](c2nccs2)C1	ZINC000176009298	174043803	/nfs/dbraw/zinc/04/38/03/174043803.db2.gz	WCWHNFXOCJFYAD-CYBMUJFWSA-N	0	0	360.370	1.692	10	30		FDEERN
CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)[C@@H](C)C1	ZINC000179868945	258358930	/nfs/dbraw/zinc/35/89/30/258358930.db2.gz	KCJDEEZWRMDFFA-JSGCOSHPSA-N	0	0	360.462	1.293	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c(Cl)c1	ZINC000180030716	258361102	/nfs/dbraw/zinc/36/11/02/258361102.db2.gz	MOXLGULUJPNWPS-CYBMUJFWSA-N	0	0	355.847	1.307	10	30		FDEERN
Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000180108803	258362153	/nfs/dbraw/zinc/36/21/53/258362153.db2.gz	PLHSSELHVVJKCA-LBPRGKRZSA-N	0	0	351.819	1.925	10	30		FDEERN
CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(C#N)c3)CCO2)[nH]1	ZINC000173738224	258308673	/nfs/dbraw/zinc/30/86/73/258308673.db2.gz	AIFCFNWVNRKBRI-ZDUSSCGKSA-N	0	0	365.390	1.140	10	30		FDEERN
COCCN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1C	ZINC000184623853	258382698	/nfs/dbraw/zinc/38/26/98/258382698.db2.gz	QPXLJMZHNRGNES-AWEZNQCLSA-N	0	0	369.429	1.323	10	30		FDEERN
N#CC1(C(=O)N2CC[C@@H]3NS(=O)(=O)c4ccccc4O[C@H]3CC2)CC1	ZINC000096263860	222104958	/nfs/dbraw/zinc/10/49/58/222104958.db2.gz	NTKSJUPQIJOVFX-STQMWFEESA-N	0	0	361.423	1.021	10	30		FDEERN
N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(COc2ccccn2)CC1	ZINC000301575618	259030331	/nfs/dbraw/zinc/03/03/31/259030331.db2.gz	QAPXLENYHDCOBI-UHFFFAOYSA-N	0	0	372.450	1.896	10	30		FDEERN
C[C@@H](CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1CCCCC1=O	ZINC000328680299	259052895	/nfs/dbraw/zinc/05/28/95/259052895.db2.gz	BYCGPCJUTGHQRT-KRWDZBQOSA-N	0	0	368.481	1.994	10	30		FDEERN
COc1ccc(CN=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1O	ZINC000009140355	263359343	/nfs/dbraw/zinc/35/93/43/263359343.db2.gz	JLVIXTILZUNAKT-LZYBPNLTSA-N	0	0	366.355	1.402	10	30		FDEERN
C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O	ZINC000238789267	518659581	/nfs/dbraw/zinc/65/95/81/518659581.db2.gz	WZYJEEIAFBHYJS-HBJCYBSRSA-N	0	0	362.422	1.195	10	30		FDEERN
COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)N1CCOCC1	ZINC000057612322	522114952	/nfs/dbraw/zinc/11/49/52/522114952.db2.gz	MAIINEILDKRGND-INIZCTEOSA-N	0	0	360.458	1.437	10	30		FDEERN
N#Cc1ccc(Cc2cnc(NC(=O)Cn3ccc(=O)[nH]c3=O)s2)cc1	ZINC000121860319	524387131	/nfs/dbraw/zinc/38/71/31/524387131.db2.gz	QRRGLRDPBMASCI-UHFFFAOYSA-N	0	0	367.390	1.094	10	30		FDEERN
Cc1nnc([C@@H]2CN(C(=O)CSCc3ccc(C#N)cc3)CCO2)[nH]1	ZINC000173526923	524404823	/nfs/dbraw/zinc/40/48/23/524404823.db2.gz	PKBGOINAHOQRIJ-HNNXBMFYSA-N	0	0	357.439	1.818	10	30		FDEERN
C=CCc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc(OC)c1OC	ZINC000174338212	524540857	/nfs/dbraw/zinc/54/08/57/524540857.db2.gz	ZIGSJDSHULEVIV-HUUCEWRRSA-N	0	0	362.470	1.959	10	30		FDEERN
CCc1nnc([C@@H]2CN(S(=O)(=O)c3cccc(C)c3C#N)CCO2)[nH]1	ZINC000123112679	524682218	/nfs/dbraw/zinc/68/22/18/524682218.db2.gz	VGNUOKLIDSTFMB-ZDUSSCGKSA-N	0	0	361.427	1.309	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccc(C#N)cc3)C2=O)n(C)n1	ZINC000175155708	524888606	/nfs/dbraw/zinc/88/86/06/524888606.db2.gz	POKRLBIENHLGIR-MRXNPFEDSA-N	0	0	366.425	1.595	10	30		FDEERN
C#Cc1cccc(N(C)C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c1	ZINC000115215131	524953435	/nfs/dbraw/zinc/95/34/35/524953435.db2.gz	CJVHHDGCISXZPJ-MJGOQNOKSA-N	0	0	350.422	1.974	10	30		FDEERN
N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)c1	ZINC000161253541	525065993	/nfs/dbraw/zinc/06/59/93/525065993.db2.gz	MHWAPBGKZCBPDV-HNNXBMFYSA-N	0	0	366.425	1.718	10	30		FDEERN
C[C@H](C#N)NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000125429859	525197855	/nfs/dbraw/zinc/19/78/55/525197855.db2.gz	DBKKFYSANVENIN-HTQZYQBOSA-N	0	0	350.172	1.462	10	30		FDEERN
COCCN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000117285534	525304115	/nfs/dbraw/zinc/30/41/15/525304115.db2.gz	QEHSATOXCLLVDS-LBPRGKRZSA-N	0	0	364.833	1.329	10	30		FDEERN
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc2n1CCCC2	ZINC000165583687	525554589	/nfs/dbraw/zinc/55/45/89/525554589.db2.gz	WJPNTLRTRJWGOI-JTQLQIEISA-N	0	0	372.816	1.955	10	30		FDEERN
CN(C[C@H](c1cccs1)N1CCOCC1)S(=O)(=O)CC1(C#N)CC1	ZINC000165845186	525560635	/nfs/dbraw/zinc/56/06/35/525560635.db2.gz	FKMKWKSSDUQKLZ-CQSZACIVSA-N	0	0	369.512	1.687	10	30		FDEERN
N#Cc1cccc(NC(=O)CN2CCN(C[C@@H](O)c3ccccc3)CC2)c1	ZINC000106097321	525577619	/nfs/dbraw/zinc/57/76/19/525577619.db2.gz	BVEUXKHMPQRSFQ-HXUWFJFHSA-N	0	0	364.449	1.848	10	30		FDEERN
COCCN1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C	ZINC000106108554	525599609	/nfs/dbraw/zinc/59/96/09/525599609.db2.gz	IMUOTWNMJUPSTM-CYBMUJFWSA-N	0	0	350.850	1.803	10	30		FDEERN
N#CCSc1ccccc1NC(=O)CN1CCO[C@H](Cn2cccn2)C1	ZINC000106191475	525662301	/nfs/dbraw/zinc/66/23/01/525662301.db2.gz	ZFIRTZKVTAJNFA-HNNXBMFYSA-N	0	0	371.466	1.838	10	30		FDEERN
N#Cc1ccc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)cc1Cl	ZINC000106193819	525663928	/nfs/dbraw/zinc/66/39/28/525663928.db2.gz	FQKSIWNUYLYINW-OAHLLOKOSA-N	0	0	359.817	1.748	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C[C@H](O)COc3ccc(C#N)cc3)CCO2)c1	ZINC000106196800	525665952	/nfs/dbraw/zinc/66/59/52/525665952.db2.gz	PCHHFIMBWPRGCW-HKUYNNGSSA-N	0	0	356.426	1.204	10	30		FDEERN
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C#N)cc1F	ZINC000170932153	525776778	/nfs/dbraw/zinc/77/67/78/525776778.db2.gz	KKYGOUMOEVIKLD-OAHLLOKOSA-N	0	0	353.419	1.518	10	30		FDEERN
N#Cc1cc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)ccc1F	ZINC000119618027	525805835	/nfs/dbraw/zinc/80/58/35/525805835.db2.gz	BWQBAWMEFWAAOC-UHFFFAOYSA-N	0	0	355.373	1.771	10	30		FDEERN
CCOc1cc(C)nc(N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)n1	ZINC000171816558	526134943	/nfs/dbraw/zinc/13/49/43/526134943.db2.gz	MLGTXDOHRJMGLI-UHFFFAOYSA-N	0	0	365.437	1.947	10	30		FDEERN
Cc1nc(CN2CCCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)no1	ZINC000171864232	526156679	/nfs/dbraw/zinc/15/66/79/526156679.db2.gz	XHVMWXYAIRHZGQ-UHFFFAOYSA-N	0	0	369.425	1.557	10	30		FDEERN
C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1	ZINC000186382859	536233418	/nfs/dbraw/zinc/23/34/18/536233418.db2.gz	OLAGPIJLCBCGQB-GJZGRUSLSA-N	0	0	353.488	1.666	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](OCC)C23CCOCC3)c1	ZINC000187290022	536260481	/nfs/dbraw/zinc/26/04/81/536260481.db2.gz	HLTGVADXKPTAOW-IAGOWNOFSA-N	0	0	356.422	1.697	10	30		FDEERN
N#CCn1cnc(I)c1I	ZINC000307699946	537605156	/nfs/dbraw/zinc/60/51/56/537605156.db2.gz	PNTKWBLOFGUHPR-UHFFFAOYSA-N	0	0	358.908	1.616	10	30		FDEERN
C#CCn1cnc(I)c1I	ZINC000307528690	537605215	/nfs/dbraw/zinc/60/52/15/537605215.db2.gz	TXJPPPLOBOEZKB-UHFFFAOYSA-N	0	0	357.920	1.726	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)NCc2ccco2)CC1	ZINC000328656718	571136338	/nfs/dbraw/zinc/13/63/38/571136338.db2.gz	ZPILXAZMNUHQQP-CQSZACIVSA-N	0	0	358.446	2.052	10	30		FDEERN
Cn1cc([C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3C#N)CCO2)cn1	ZINC000328608892	571324161	/nfs/dbraw/zinc/32/41/61/571324161.db2.gz	BOPPXDNXEUKSPH-CQSZACIVSA-N	0	0	366.830	1.707	10	30		FDEERN
CCN1CCN(S(=O)(=O)c2cccc(F)c2C#N)C[C@@H]1c1ncc[nH]1	ZINC000328627782	571324898	/nfs/dbraw/zinc/32/48/98/571324898.db2.gz	NCLUPWMXLWAIAB-CQSZACIVSA-N	0	0	363.418	1.488	10	30		FDEERN
CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccc(C#N)cc2)ncn1	ZINC000173411675	258298458	/nfs/dbraw/zinc/29/84/58/258298458.db2.gz	YXDOEDVGFDCDGJ-MRXNPFEDSA-N	0	0	350.426	1.718	10	30		FDEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccc(C#N)cc1OC	ZINC000088197722	172229341	/nfs/dbraw/zinc/22/93/41/172229341.db2.gz	IAJXJMOAWYETJD-ZDUSSCGKSA-N	0	0	355.398	1.751	10	30		FDEERN
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2COc3ccccc32)n1	ZINC000091215963	172278242	/nfs/dbraw/zinc/27/82/42/172278242.db2.gz	XTNHTGJHMSVJFW-CYBMUJFWSA-N	0	0	353.382	1.698	10	30		FDEERN
Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cccc(C)c3C#N)CCO2)c1	ZINC000133170428	173256370	/nfs/dbraw/zinc/25/63/70/173256370.db2.gz	IWKRVERJYYMHDY-HNNXBMFYSA-N	0	0	360.439	1.461	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)c3c(F)cc(C#N)cc3F)C2=O)n(C)n1	ZINC000176356033	174066892	/nfs/dbraw/zinc/06/68/92/174066892.db2.gz	FXOJEQJAZPJSFB-AWEZNQCLSA-N	0	0	373.363	1.804	10	30		FDEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN([C@H](C)c2nc(C)no2)CC1	ZINC000177055601	174103797	/nfs/dbraw/zinc/10/37/97/174103797.db2.gz	BQTBGAGMQPXADS-DYVFJYSZSA-N	0	0	369.425	1.843	10	30		FDEERN
Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3cccc(C)c3C#N)C2)no1	ZINC000177594856	174142848	/nfs/dbraw/zinc/14/28/48/174142848.db2.gz	HEXZTIUZFSUONH-CQSZACIVSA-N	0	0	367.409	1.978	10	30		FDEERN
CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CCN1C[C@@H](C)O	ZINC000177614109	174144122	/nfs/dbraw/zinc/14/41/22/174144122.db2.gz	MXIAFLPORFMWFI-GDBMZVCRSA-N	0	0	358.442	1.109	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(C)c1C#N)CC2	ZINC000177642801	174147006	/nfs/dbraw/zinc/14/70/06/174147006.db2.gz	SLPZBCAJBBGHPK-GFCCVEGCSA-N	0	0	352.398	1.090	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)CC2	ZINC000177642764	174147270	/nfs/dbraw/zinc/14/72/70/174147270.db2.gz	HVNVKPKVTSFVOZ-GFCCVEGCSA-N	0	0	372.816	1.435	10	30		FDEERN
N#Cc1ccc(NC(=O)NC[C@@H](O)CN2CCOCC2)cc1C(F)(F)F	ZINC000179882196	258358918	/nfs/dbraw/zinc/35/89/18/258358918.db2.gz	JSNGFMIIDGDAPM-CYBMUJFWSA-N	0	0	372.347	1.392	10	30		FDEERN
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)ccc1Cl	ZINC000173696339	258307916	/nfs/dbraw/zinc/30/79/16/258307916.db2.gz	SUMFUVWNVBOJPA-ZDUSSCGKSA-N	0	0	358.789	1.605	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[S@](=O)C[C@@H](C)C3)C2)n1	ZINC000330326862	259139822	/nfs/dbraw/zinc/13/98/22/259139822.db2.gz	KLBHETUKYLAQSI-QAPORCKPSA-N	0	0	374.510	1.705	10	30		FDEERN
CC1(C)CC2=C(C(=O)C1)[C@]1(c3ccccc3-c3oc(N)nc31)C(=O)N2CO	ZINC000020568324	520290947	/nfs/dbraw/zinc/29/09/47/520290947.db2.gz	ZHDVDABRPLVTOW-FQEVSTJZSA-N	0	0	365.389	1.959	10	30		FDEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)CCc1c(C)nn(CCC#N)c1C	ZINC000081587335	524155380	/nfs/dbraw/zinc/15/53/80/524155380.db2.gz	NZCJFMQRHFFTCK-MRXNPFEDSA-N	0	0	355.446	1.897	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)CCN2CC[C@H](Oc3cccnc3)C2)c1	ZINC000156867865	524165895	/nfs/dbraw/zinc/16/58/95/524165895.db2.gz	IRVNJQQUFJJJQF-KRWDZBQOSA-N	0	0	357.435	1.880	10	30		FDEERN
C=CCOc1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1OC	ZINC000111078843	524197688	/nfs/dbraw/zinc/19/76/88/524197688.db2.gz	BDNMNIJLBWJITA-MRXNPFEDSA-N	0	0	357.410	1.998	10	30		FDEERN
C[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N)N1CCOCC1	ZINC000121465235	524267018	/nfs/dbraw/zinc/26/70/18/524267018.db2.gz	ILJNRDLGTYQZKZ-AWEZNQCLSA-N	0	0	369.469	1.367	10	30		FDEERN
CNc1cc(N2CCC[C@@H]2CNC(=O)COc2ccccc2C#N)ncn1	ZINC000173443730	524392890	/nfs/dbraw/zinc/39/28/90/524392890.db2.gz	KNGYJXPBORPZRT-OAHLLOKOSA-N	0	0	366.425	1.554	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2CCCN(Cc3noc(C)n3)CC2)c1	ZINC000173558406	524416157	/nfs/dbraw/zinc/41/61/57/524416157.db2.gz	PCOVUOGEUAAMRJ-UHFFFAOYSA-N	0	0	367.409	1.032	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1	ZINC000150787260	524487007	/nfs/dbraw/zinc/48/70/07/524487007.db2.gz	PLEJGFLQDDOIBW-YOEHRIQHSA-N	0	0	372.469	1.386	10	30		FDEERN
C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1C	ZINC000122393379	524526394	/nfs/dbraw/zinc/52/63/94/524526394.db2.gz	AIPRBSHUCNJJHF-NWDGAFQWSA-N	0	0	357.863	1.287	10	30		FDEERN
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000159382876	524657559	/nfs/dbraw/zinc/65/75/59/524657559.db2.gz	BEIFKDLFMHOQOK-CQSZACIVSA-N	0	0	359.455	1.875	10	30		FDEERN
Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CCO2)[nH]1	ZINC000123110418	524682381	/nfs/dbraw/zinc/68/23/81/524682381.db2.gz	XNORUCMXWRIJKS-GFCCVEGCSA-N	0	0	367.818	1.400	10	30		FDEERN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1	ZINC000113889660	524724489	/nfs/dbraw/zinc/72/44/89/524724489.db2.gz	ZOMJYKYLWHOWST-QGZVFWFLSA-N	0	0	372.450	1.689	10	30		FDEERN
Cc1cc(N(CCC#N)C(=O)CN2CCOC[C@H]2C(N)=O)ccc1Cl	ZINC000092228701	524856779	/nfs/dbraw/zinc/85/67/79/524856779.db2.gz	SIYWRRZDEJUKFB-HNNXBMFYSA-N	0	0	364.833	1.081	10	30		FDEERN
CN1c2ccccc2N(C)C1=C1C(=N)N([C@@H]2CCCn3ncnc32)CC1=O	ZINC000176450352	525120880	/nfs/dbraw/zinc/12/08/80/525120880.db2.gz	PQANPTHZLIBUEZ-CQSZACIVSA-N	0	0	363.425	1.773	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1C	ZINC000125526405	525210772	/nfs/dbraw/zinc/21/07/72/525210772.db2.gz	QWVIGWFVQJMBKA-LBPRGKRZSA-N	0	0	373.425	1.568	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCN(CCOC)[C@H](C)C2)cc1	ZINC000117446843	525341296	/nfs/dbraw/zinc/34/12/96/525341296.db2.gz	KXXJHPOZEMSCKD-OAHLLOKOSA-N	0	0	360.458	1.787	10	30		FDEERN
N#C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CCO1	ZINC000106053620	525556635	/nfs/dbraw/zinc/55/66/35/525556635.db2.gz	SAJFECLNYIFAKO-JKSUJKDBSA-N	0	0	369.446	1.840	10	30		FDEERN
COCCN1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1C	ZINC000106107856	525596816	/nfs/dbraw/zinc/59/68/16/525596816.db2.gz	IZEVXBIFONNCNH-SFANZJOMSA-N	0	0	364.534	1.958	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000106136207	525626084	/nfs/dbraw/zinc/62/60/84/525626084.db2.gz	VLGGAHIAMJWJLY-AWEZNQCLSA-N	0	0	368.441	1.957	10	30		FDEERN
CCO[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccn(CCC#N)n2)C12CCCC2	ZINC000119108690	525637982	/nfs/dbraw/zinc/63/79/82/525637982.db2.gz	SBZSSAWDSIGQLS-GJZGRUSLSA-N	0	0	373.457	1.931	10	30		FDEERN
N#Cc1cccc(CS(=O)(=O)N2CC[C@](O)(c3nc(C4CC4)no3)C2)c1	ZINC000275306657	526711724	/nfs/dbraw/zinc/71/17/24/526711724.db2.gz	NJLBOZWNIHFQCG-QGZVFWFLSA-N	0	0	374.422	1.242	10	30		FDEERN
O=C(C(=NNc1c[nH]c(=O)[nH]c1=O)C(=O)c1ccccc1)c1ccccc1	ZINC000015921930	527663449	/nfs/dbraw/zinc/66/34/49/527663449.db2.gz	SOJVWYNGHHAJKQ-UHFFFAOYSA-N	0	0	362.345	1.597	10	30		FDEERN
C=C(C)CS(=O)(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000184483543	536156348	/nfs/dbraw/zinc/15/63/48/536156348.db2.gz	UWIQDOFEUJWHFB-SFHVURJKSA-N	0	0	352.500	1.928	10	30		FDEERN
C=CC[C@H](CO)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21	ZINC000185939160	536222219	/nfs/dbraw/zinc/22/22/19/536222219.db2.gz	NWBZKWMBBKRNIA-WBMJQRKESA-N	0	0	359.451	1.736	10	30		FDEERN
Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)n1	ZINC000186347958	536232770	/nfs/dbraw/zinc/23/27/70/536232770.db2.gz	UTXMLJBGMXHFIJ-GFCCVEGCSA-N	0	0	368.802	1.665	10	30		FDEERN
C=CC[C@H](CO)NC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1	ZINC000186382877	536233483	/nfs/dbraw/zinc/23/34/83/536233483.db2.gz	OLAGPIJLCBCGQB-HUUCEWRRSA-N	0	0	353.488	1.666	10	30		FDEERN
C=CCc1ccc(OC[C@@H](O)CN2CC(NC(=O)C3CC3)C2)c(OC)c1	ZINC000187977842	536279411	/nfs/dbraw/zinc/27/94/11/536279411.db2.gz	DVHZZPJERXOKBC-KRWDZBQOSA-N	0	0	360.454	1.374	10	30		FDEERN
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000188970413	536979032	/nfs/dbraw/zinc/97/90/32/536979032.db2.gz	KWWILAMQHJZBND-DDTOSNHZSA-N	0	0	356.209	1.656	10	30		FDEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000189341683	537030663	/nfs/dbraw/zinc/03/06/63/537030663.db2.gz	GYZNTOSNBDBRPY-HYVNUMGLSA-N	0	0	358.398	1.451	10	30		FDEERN
C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@H]1C	ZINC000247164488	537089060	/nfs/dbraw/zinc/08/90/60/537089060.db2.gz	UZKKOMMNSLHDSI-NEPJUHHUSA-N	0	0	364.833	1.064	10	30		FDEERN
Cc1cnn(C[C@H]2CN([C@H](C)C(=O)Nc3cccc(C#N)c3)CCO2)c1	ZINC000247742556	537147935	/nfs/dbraw/zinc/14/79/35/537147935.db2.gz	NXQKEJDYRNKAKA-CRAIPNDOSA-N	0	0	353.426	1.791	10	30		FDEERN
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1	ZINC000191969205	537216149	/nfs/dbraw/zinc/21/61/49/537216149.db2.gz	IRGCTOVTTWFANI-MRXNPFEDSA-N	0	0	359.470	1.924	10	30		FDEERN
C[C@@H](CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)N1CCCCC1=O	ZINC000249106966	537229528	/nfs/dbraw/zinc/22/95/28/537229528.db2.gz	PROOKXVUSRNMSQ-GJZGRUSLSA-N	0	0	370.457	1.176	10	30		FDEERN
CCCCCCCCCCCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000616585270	555319837	/nfs/dbraw/zinc/31/98/37/555319837.db2.gz	HABWUWJGNVZVPU-JVNHZCFISA-N	0	0	362.463	1.250	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)c2sccc2C#N)CC1	ZINC000328632592	571136297	/nfs/dbraw/zinc/13/62/97/571136297.db2.gz	LKZVFICOKPCYPZ-CQSZACIVSA-N	0	0	370.482	2.119	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@H]1CCCN(C(=O)c2sccc2C#N)CC1	ZINC000328632591	571136713	/nfs/dbraw/zinc/13/67/13/571136713.db2.gz	LKZVFICOKPCYPZ-AWEZNQCLSA-N	0	0	370.482	2.119	10	30		FDEERN
C=C(Br)CNC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1	ZINC000111842929	671633743	/nfs/dbraw/zinc/63/37/43/671633743.db2.gz	OXQUFZKQQAWGBJ-JTQLQIEISA-N	0	0	358.240	1.675	10	30		FDEERN
C[C@@H](O)CN1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C	ZINC000188180639	672290841	/nfs/dbraw/zinc/29/08/41/672290841.db2.gz	SWCIBFUHHSEFTP-ZIAGYGMSSA-N	0	0	354.372	1.970	10	30		FDEERN
C[C@H](O)CN1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C	ZINC000249648545	672576913	/nfs/dbraw/zinc/57/69/13/672576913.db2.gz	SWCIBFUHHSEFTP-KGLIPLIRSA-N	0	0	354.372	1.970	10	30		FDEERN
CC(=O)Nc1ccn([C@H]2CCN(C(=O)c3cccc(C#CCO)c3)C2)n1	ZINC000907554321	854354731	/nfs/dbraw/zinc/35/47/31/854354731.db2.gz	NSXDDBSBBXDBQB-KRWDZBQOSA-N	0	0	352.394	1.273	10	30		FDEERN
CN1CCO[C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1	ZINC000194605303	178217972	/nfs/dbraw/zinc/21/79/72/178217972.db2.gz	RFPYOVMZBHERNS-MRXNPFEDSA-N	0	0	355.394	1.791	10	30		FDEERN
CC(C)N1C[C@H](C(=O)Nc2ccc(C(=O)N(CC#N)CC#N)cc2)CC1=O	ZINC000020369673	211276583	/nfs/dbraw/zinc/27/65/83/211276583.db2.gz	RXTVOWSUHVAVOY-OAHLLOKOSA-N	0	0	367.409	1.371	10	30		FDEERN
CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(N)c1C#N	ZINC000014959980	211105881	/nfs/dbraw/zinc/10/58/81/211105881.db2.gz	CUIDQTVRAWOMCM-UHFFFAOYSA-N	0	0	374.422	1.268	10	30		FDEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)CC2	ZINC000188283735	177850712	/nfs/dbraw/zinc/85/07/12/177850712.db2.gz	ZWNNIOPYKSVKSN-LBPRGKRZSA-N	0	0	370.388	1.482	10	30		FDEERN
CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2nnc(C)c(C)c2C#N)C1	ZINC000548661546	542734752	/nfs/dbraw/zinc/73/47/52/542734752.db2.gz	IXGFKKHBJWHGLL-QGZVFWFLSA-N	0	0	356.455	1.972	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1	ZINC000113896251	172616625	/nfs/dbraw/zinc/61/66/25/172616625.db2.gz	SUZLJXDBDFIGDZ-QGZVFWFLSA-N	0	0	372.450	1.950	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H](Cn3cncn3)C2)c1	ZINC000128663219	173116758	/nfs/dbraw/zinc/11/67/58/173116758.db2.gz	SVBGERNQUHQGDY-INIZCTEOSA-N	0	0	359.455	1.336	10	30		FDEERN
Cc1nc(C#N)c(N2CCN(C(=O)CN(C)Cc3csc(C)n3)CC2)o1	ZINC000130064504	173158379	/nfs/dbraw/zinc/15/83/79/173158379.db2.gz	FCGAZYJCOOVMJV-UHFFFAOYSA-N	0	0	374.470	1.400	10	30		FDEERN
Cc1sc(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)c(C#N)c1C	ZINC000177228940	174115674	/nfs/dbraw/zinc/11/56/74/174115674.db2.gz	FGERZBWNLKWRPH-BLLLJJGKSA-N	0	0	362.499	1.828	10	30		FDEERN
N#Cc1cc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)ccc1Cl	ZINC000177653790	174147813	/nfs/dbraw/zinc/14/78/13/174147813.db2.gz	RNGOLIUOYKTDJM-AWEZNQCLSA-N	0	0	373.800	1.274	10	30		FDEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000178486124	174190831	/nfs/dbraw/zinc/19/08/31/174190831.db2.gz	TVQRYEQIZBFESY-CQSZACIVSA-N	0	0	366.425	1.651	10	30		FDEERN
CC(C)c1nnc2n1C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)CC2	ZINC000181610520	174237173	/nfs/dbraw/zinc/23/71/73/174237173.db2.gz	UISTUQLSNSKTNC-HNNXBMFYSA-N	0	0	368.441	1.966	10	30		FDEERN
CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	ZINC000169621173	222567660	/nfs/dbraw/zinc/56/76/60/222567660.db2.gz	AUGQEEXBDZWUJY-GOKFXCSCSA-N	0	0	366.410	1.125	10	30		FDEERN
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)C[C@H](OC(=O)/C(=C/C)CO)[C@H]12	ZINC000253399803	518657568	/nfs/dbraw/zinc/65/75/68/518657568.db2.gz	JZJVLLYTTWUPBF-KNLXJCAZSA-N	0	0	362.422	1.982	10	30		FDEERN
CCOC(=O)/C(=N\Nc1ccccc1Cl)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000005576775	520396566	/nfs/dbraw/zinc/39/65/66/520396566.db2.gz	JFFYBEQHEOZHTD-VVLNONDKSA-N	0	0	373.862	1.747	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1F	ZINC000077152859	523252495	/nfs/dbraw/zinc/25/24/95/523252495.db2.gz	CQQJTNPUDJAOIS-ZFWWWQNUSA-N	0	0	370.446	1.571	10	30		FDEERN
Cn1cc(CN2CCCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)cn1	ZINC000110727817	524129785	/nfs/dbraw/zinc/12/97/85/524129785.db2.gz	PMVGUCZWYVSZDR-UHFFFAOYSA-N	0	0	367.453	1.599	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(C(=O)COc3ccccc3C#N)CC2)n1	ZINC000110897461	524156689	/nfs/dbraw/zinc/15/66/89/524156689.db2.gz	FXRIURCTUCBCCQ-CYBMUJFWSA-N	0	0	355.398	1.534	10	30		FDEERN
CN1CCO[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000156924347	524175833	/nfs/dbraw/zinc/17/58/33/524175833.db2.gz	GKMLJJSDCBNFKN-GFCCVEGCSA-N	0	0	363.361	1.186	10	30		FDEERN
N#CCCN(CCC#N)C(=O)CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000121250537	524199800	/nfs/dbraw/zinc/19/98/00/524199800.db2.gz	HEAPFLQSFZFSMV-RHSMWYFYSA-N	0	0	362.380	1.728	10	30		FDEERN
Cc1cccc(S(=O)(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1C#N	ZINC000157728015	524325993	/nfs/dbraw/zinc/32/59/93/524325993.db2.gz	AOCWPDYEQIRMGR-OAHLLOKOSA-N	0	0	371.466	1.946	10	30		FDEERN
Cc1cccc(S(=O)(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c1C#N	ZINC000157728148	524326888	/nfs/dbraw/zinc/32/68/88/524326888.db2.gz	AOCWPDYEQIRMGR-HNNXBMFYSA-N	0	0	371.466	1.946	10	30		FDEERN
C[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CCS1(=O)=O	ZINC000122041341	524439457	/nfs/dbraw/zinc/43/94/57/524439457.db2.gz	MJONFJKLVWKTSS-ZDUSSCGKSA-N	0	0	374.418	1.989	10	30		FDEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1	ZINC000173805311	524460975	/nfs/dbraw/zinc/46/09/75/524460975.db2.gz	XWGAKJCXRSYSJW-BEFAXECRSA-N	0	0	373.501	1.525	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1	ZINC000173852200	524469287	/nfs/dbraw/zinc/46/92/87/524469287.db2.gz	VMSZAYXQLAYWCU-QGZVFWFLSA-N	0	0	358.442	1.541	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)CC2	ZINC000159387386	524657706	/nfs/dbraw/zinc/65/77/06/524657706.db2.gz	SWTWPWCPIBALEF-LBPRGKRZSA-N	0	0	363.418	1.706	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)CC2	ZINC000174965425	524815477	/nfs/dbraw/zinc/81/54/77/524815477.db2.gz	MHULXSKTUDLFHU-AWEZNQCLSA-N	0	0	354.414	1.405	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)CCc3ccc(C#N)cc3)C2=O)n(C)n1	ZINC000175002696	524829101	/nfs/dbraw/zinc/82/91/01/524829101.db2.gz	PBXMIGMORJUJNZ-KRWDZBQOSA-N	0	0	365.437	1.845	10	30		FDEERN
CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C1	ZINC000178461955	525433406	/nfs/dbraw/zinc/43/34/06/525433406.db2.gz	YEDQOKDNWHNUQY-HNNXBMFYSA-N	0	0	356.426	1.713	10	30		FDEERN
CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C[C@H]1CC	ZINC000178516576	525442237	/nfs/dbraw/zinc/44/22/37/525442237.db2.gz	QOFNXQHLQILTLM-QGZVFWFLSA-N	0	0	372.469	1.765	10	30		FDEERN
Cc1noc([C@H](C)N2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)n1	ZINC000106133417	525624767	/nfs/dbraw/zinc/62/47/67/525624767.db2.gz	XSFRZZZOZYTUKU-KBPBESRZSA-N	0	0	368.441	1.956	10	30		FDEERN
Cc1nn(C)c(C)c1CN1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000106143549	525630261	/nfs/dbraw/zinc/63/02/61/525630261.db2.gz	PSVIFHVFNXVYJJ-UHFFFAOYSA-N	0	0	366.469	1.665	10	30		FDEERN
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000181894464	525972674	/nfs/dbraw/zinc/97/26/74/525972674.db2.gz	NFJNGLWGEPIKEX-HUUCEWRRSA-N	0	0	356.426	1.613	10	30		FDEERN
Cc1noc(C[NH+]=C([O-])NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n1	ZINC000328618697	526612568	/nfs/dbraw/zinc/61/25/68/526612568.db2.gz	DXPRWOHVMQJZSA-VIFPVBQESA-N	0	0	358.324	1.860	10	30		FDEERN
CC(C)c1nc2c(n1C)CCN(C(=O)C(=O)Nc1cccc(C#N)c1)C2	ZINC000182795527	535864942	/nfs/dbraw/zinc/86/49/42/535864942.db2.gz	GXDNXUXEZRBRQV-UHFFFAOYSA-N	0	0	351.410	1.939	10	30		FDEERN
COc1cc(C#N)ccc1S(=O)(=O)N1CCC(c2ccnn2C)CC1	ZINC000185669365	536214850	/nfs/dbraw/zinc/21/48/50/536214850.db2.gz	ACQKACRSVLLPMJ-UHFFFAOYSA-N	0	0	360.439	1.869	10	30		FDEERN
N#Cc1ccccc1NC(=O)CCCC(=O)N1CC(NC(=O)C2CCC2)C1	ZINC000188565842	536903731	/nfs/dbraw/zinc/90/37/31/536903731.db2.gz	OFSOIWXFDSYFTJ-UHFFFAOYSA-N	0	0	368.437	1.794	10	30		FDEERN
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000188970435	536978520	/nfs/dbraw/zinc/97/85/20/536978520.db2.gz	KWWILAMQHJZBND-LERXQTSPSA-N	0	0	356.209	1.656	10	30		FDEERN
COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3CNC(=O)C3)c2)c1	ZINC000194787061	537330952	/nfs/dbraw/zinc/33/09/52/537330952.db2.gz	JXBIFKLHLZVYJN-QGZVFWFLSA-N	0	0	362.385	1.948	10	30		FDEERN
C=CCN(C)S(=O)(=O)c1ccc(NCc2nnnn2C(C)C)cc1	ZINC000194996876	537360033	/nfs/dbraw/zinc/36/00/33/537360033.db2.gz	KJEYUMFJZWELBN-UHFFFAOYSA-N	0	0	350.448	1.673	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)Nc2cccnc2)CC1	ZINC000328653073	571136354	/nfs/dbraw/zinc/13/63/54/571136354.db2.gz	WSNSHDXMWKANPN-OAHLLOKOSA-N	0	0	355.446	1.986	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@H]1CCCN(C(=O)Nc2ccc(F)cn2)CC1	ZINC000328621365	571136766	/nfs/dbraw/zinc/13/67/66/571136766.db2.gz	AJOCKYTUXAOPJZ-AWEZNQCLSA-N	0	0	373.436	2.125	10	30		FDEERN
CCN(Cc1nnc(C)o1)[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1O	ZINC000328634367	571325377	/nfs/dbraw/zinc/32/53/77/571325377.db2.gz	MRKCRWMOURZNCZ-IAGOWNOFSA-N	0	0	359.405	1.456	10	30		FDEERN
C=CCn1nc(C(=O)OCC)c2c1CCN(C(=O)c1snnc1C)C2	ZINC000014740486	670626010	/nfs/dbraw/zinc/62/60/10/670626010.db2.gz	KCHWKHPUXJITOE-UHFFFAOYSA-N	0	0	361.427	1.604	10	30		FDEERN
C=C(Br)CNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000117039747	671661199	/nfs/dbraw/zinc/66/11/99/671661199.db2.gz	ZLWUWNSCFXZMJC-OAHLLOKOSA-N	0	0	368.275	1.956	10	30		FDEERN
N#C[C@H](C(=O)[C@@H]1C[C@@H]1C1CCCCC1)C(=O)N1CCS(=O)(=O)CC1	ZINC000174259991	672091913	/nfs/dbraw/zinc/09/19/13/672091913.db2.gz	HZOFYPDCVPGQMC-RBSFLKMASA-N	0	0	352.456	1.169	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCO1	ZINC000262081371	672722225	/nfs/dbraw/zinc/72/22/25/672722225.db2.gz	FHCOWMHTZFMXTE-CYBMUJFWSA-N	0	0	357.332	1.799	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cccc(C)c2C#N)C1	ZINC000262496533	672799192	/nfs/dbraw/zinc/79/91/92/672799192.db2.gz	ZVZNCAQURZROIT-UHFFFAOYSA-N	0	0	351.428	1.083	10	30		FDEERN
C#CCNC(=O)CNc1ccc(I)cc1[N+](=O)[O-]	ZINC000302706320	676541449	/nfs/dbraw/zinc/54/14/49/676541449.db2.gz	CMOAJWOQUCOKNZ-UHFFFAOYSA-N	0	0	359.123	1.361	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)C1	ZINC000702807055	884230142	/nfs/dbraw/zinc/23/01/42/884230142.db2.gz	NPCYQUPYZUHDHX-AAEUAGOBSA-N	0	0	363.374	1.501	10	30		FDEERN
CCn1cc([C@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3C)CCO2)cn1	ZINC000190533014	178007860	/nfs/dbraw/zinc/00/78/60/178007860.db2.gz	ZCQVQGNRUQNGDG-QGZVFWFLSA-N	0	0	367.409	1.622	10	30		FDEERN
C#CCNC(=O)CCc1nnc(-c2cccc(OCC(C)C)c2)[n-]c1=O	ZINC000034765642	210169514	/nfs/dbraw/zinc/16/95/14/210169514.db2.gz	SMNCEXUUPLMUBN-UHFFFAOYSA-N	0	0	354.410	1.961	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)ccc1F	ZINC000046220203	210060185	/nfs/dbraw/zinc/06/01/85/210060185.db2.gz	DCRPNCGBBPKKLX-FZMZJTMJSA-N	0	0	356.419	1.587	10	30		FDEERN
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000172639452	258281714	/nfs/dbraw/zinc/28/17/14/258281714.db2.gz	RWBDOXPLYCQAIF-AWEZNQCLSA-N	0	0	366.425	1.651	10	30		FDEERN
N#Cc1cccc(/C=C/C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c1	ZINC000084838395	172215590	/nfs/dbraw/zinc/21/55/90/172215590.db2.gz	OEVXUYSBIPFSRH-QPJJXVBHSA-N	0	0	359.451	1.644	10	30		FDEERN
Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000125863991	173021017	/nfs/dbraw/zinc/02/10/17/173021017.db2.gz	KRHLAVRUEBGHHA-LBPRGKRZSA-N	0	0	351.819	1.925	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cccc(C)c3C#N)CCO2)c1	ZINC000133170272	173256143	/nfs/dbraw/zinc/25/61/43/173256143.db2.gz	IWKRVERJYYMHDY-OAHLLOKOSA-N	0	0	360.439	1.461	10	30		FDEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000151215915	173394141	/nfs/dbraw/zinc/39/41/41/173394141.db2.gz	LOOGMRYUHGVMMV-MGPUTAFESA-N	0	0	357.454	1.950	10	30		FDEERN
CC(C)[C@H](O)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000155427156	173541782	/nfs/dbraw/zinc/54/17/82/173541782.db2.gz	GNUIBRPQWURYCC-CQSZACIVSA-N	0	0	358.398	1.862	10	30		FDEERN
C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1nnc2n1CCCC2	ZINC000156317143	173582601	/nfs/dbraw/zinc/58/26/01/173582601.db2.gz	PJTRTRZKVNBAGX-GFCCVEGCSA-N	0	0	352.398	1.093	10	30		FDEERN
Cc1sc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)c(C#N)c1C	ZINC000177139503	174108563	/nfs/dbraw/zinc/10/85/63/174108563.db2.gz	ULGFUDGQPUJTOA-AWEZNQCLSA-N	0	0	359.455	1.773	10	30		FDEERN
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCn4ncnc43)CC2)c(F)c1	ZINC000177310977	174120784	/nfs/dbraw/zinc/12/07/84/174120784.db2.gz	AKDGOXFQKNFLQX-HNNXBMFYSA-N	0	0	369.404	1.656	10	30		FDEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)c1nnc2n1CCCC2	ZINC000178527725	174193378	/nfs/dbraw/zinc/19/33/78/174193378.db2.gz	CODRFDUECLDKCQ-GFCCVEGCSA-N	0	0	352.398	1.610	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c(Cl)c1	ZINC000180336879	258367046	/nfs/dbraw/zinc/36/70/46/258367046.db2.gz	BSLXJFWZCNKHRJ-ZDUSSCGKSA-N	0	0	365.846	1.904	10	30		FDEERN
Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)no1	ZINC000173824219	258312296	/nfs/dbraw/zinc/31/22/96/258312296.db2.gz	QEEQCMZXNGNKAM-UHFFFAOYSA-N	0	0	361.427	1.146	10	30		FDEERN
CC(C)(C)C(=O)N1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1	ZINC000301571576	259029985	/nfs/dbraw/zinc/02/99/85/259029985.db2.gz	MENUVTSQEAKLPX-UHFFFAOYSA-N	0	0	364.471	1.290	10	30		FDEERN
N#Cc1cccc(N2C[C@]3(F)CN(C(=O)Cc4ccco4)C[C@@]3(F)C2=O)c1	ZINC000503719527	263669717	/nfs/dbraw/zinc/66/97/17/263669717.db2.gz	MWKJTSHCWJWHAP-RTBURBONSA-N	0	0	371.343	1.999	10	30		FDEERN
CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(C#N)cc1	ZINC000033625077	517308791	/nfs/dbraw/zinc/30/87/91/517308791.db2.gz	YTPBUJZXEWXHCW-ZDLGFXPLSA-N	0	0	359.367	1.950	10	30		FDEERN
COc1cc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1O	ZINC000004962475	518322470	/nfs/dbraw/zinc/32/24/70/518322470.db2.gz	ONTYAWFIYMXUBL-CXUHLZMHSA-N	0	0	365.367	1.930	10	30		FDEERN
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2COc3ccccc32)c1	ZINC000058968759	522324857	/nfs/dbraw/zinc/32/48/57/522324857.db2.gz	GPGYGBNIMQAPRD-MRXNPFEDSA-N	0	0	356.403	1.462	10	30		FDEERN
COc1ccc(CN(Cc2c[nH]cn2)[C@@H](C)COS(C)(=O)=O)cc1	ZINC000390822492	524016053	/nfs/dbraw/zinc/01/60/53/524016053.db2.gz	ATULQKZLFYLRAM-ZDUSSCGKSA-N	0	0	353.444	1.785	10	30		FDEERN
N#CCOc1ccc(CC(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1	ZINC000135264464	524124249	/nfs/dbraw/zinc/12/42/49/524124249.db2.gz	MNCKCVFOYWDQLH-INIZCTEOSA-N	0	0	351.410	1.707	10	30		FDEERN
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@@H](Cn2cccn2)C1	ZINC000111085404	524198733	/nfs/dbraw/zinc/19/87/33/524198733.db2.gz	MLJJWFKPWJCDDW-QGZVFWFLSA-N	0	0	370.457	1.470	10	30		FDEERN
Cc1ncc(CN2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)s1	ZINC000137087242	524228718	/nfs/dbraw/zinc/22/87/18/524228718.db2.gz	YZIXMCJRFQLPQR-UHFFFAOYSA-N	0	0	369.446	1.876	10	30		FDEERN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1	ZINC000157468065	524280264	/nfs/dbraw/zinc/28/02/64/524280264.db2.gz	HQSJDSRWPBVERC-AWEZNQCLSA-N	0	0	366.830	1.498	10	30		FDEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000121690067	524331544	/nfs/dbraw/zinc/33/15/44/524331544.db2.gz	QTVBCLRGEPJSAM-ZDUSSCGKSA-N	0	0	372.816	1.955	10	30		FDEERN
CN(C(=O)Nc1ccn(CCC#N)n1)[C@H]1CCCN(c2cccnn2)C1	ZINC000173364165	524373154	/nfs/dbraw/zinc/37/31/54/524373154.db2.gz	VFWDEOKLBSZYCR-AWEZNQCLSA-N	0	0	354.418	1.719	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1	ZINC000112147900	524416768	/nfs/dbraw/zinc/41/67/68/524416768.db2.gz	RHGAZZTYPMTFBH-KRWDZBQOSA-N	0	0	352.394	1.039	10	30		FDEERN
C=CCNC(=O)c1ccc(N2CCN([C@H](C)c3nc(CC)no3)CC2)nc1	ZINC000112556744	524508736	/nfs/dbraw/zinc/50/87/36/524508736.db2.gz	WMLBCJXIJDXASI-CQSZACIVSA-N	0	0	370.457	1.826	10	30		FDEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2CO)c1	ZINC000151039288	524518819	/nfs/dbraw/zinc/51/88/19/524518819.db2.gz	KLDOLSFPSLXDKB-GDBMZVCRSA-N	0	0	352.456	1.432	10	30		FDEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2CO)cc1	ZINC000151090144	524524303	/nfs/dbraw/zinc/52/43/03/524524303.db2.gz	LBXKGYBTQGVNDB-GOEBONIOSA-N	0	0	352.456	1.432	10	30		FDEERN
C=C(C)COCCNC(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1	ZINC000151547404	524610467	/nfs/dbraw/zinc/61/04/67/524610467.db2.gz	OBAMRBAOIWDNGS-AWEZNQCLSA-N	0	0	351.451	1.613	10	30		FDEERN
COc1ccc(C#N)cc1CN1CCN(c2cc(C)nc3ncnn32)CC1	ZINC000159876380	524757446	/nfs/dbraw/zinc/75/74/46/524757446.db2.gz	ATQORROIGBQYTQ-UHFFFAOYSA-N	0	0	363.425	1.635	10	30		FDEERN
Cn1cc(CN2CCCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)cn1	ZINC000115581390	525027160	/nfs/dbraw/zinc/02/71/60/525027160.db2.gz	ZXZXHWXTNYRKTM-UHFFFAOYSA-N	0	0	373.482	1.329	10	30		FDEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ccnn2C)CC1	ZINC000124633212	525036969	/nfs/dbraw/zinc/03/69/69/525036969.db2.gz	RHDXUWGPUBEOQA-UHFFFAOYSA-N	0	0	367.453	1.936	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCCn2nc(C)nc21	ZINC000176018747	525043281	/nfs/dbraw/zinc/04/32/81/525043281.db2.gz	AMSKEEFDDBUALM-ZDUSSCGKSA-N	0	0	371.372	1.327	10	30		FDEERN
CC(C)Nc1ncnc2c1ncn2C[C@H](O)COc1ccc(C#N)cc1	ZINC000116400694	525145058	/nfs/dbraw/zinc/14/50/58/525145058.db2.gz	CUQZCJGTNZEGOZ-AWEZNQCLSA-N	0	0	352.398	1.958	10	30		FDEERN
C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1nnc(CC)n1C	ZINC000162559557	525279073	/nfs/dbraw/zinc/27/90/73/525279073.db2.gz	DAJAGLNSQGUREF-UHFFFAOYSA-N	0	0	372.454	1.796	10	30		FDEERN
CNC(=O)[C@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C(C)C	ZINC000178847608	525490595	/nfs/dbraw/zinc/49/05/95/525490595.db2.gz	QQFHMMWPVUPTRB-MRXNPFEDSA-N	0	0	356.430	1.037	10	30		FDEERN
Cc1ccc(N2CCCN(CC(=O)Nc3ccc(C#N)cc3)CC2)nn1	ZINC000106073604	525565956	/nfs/dbraw/zinc/56/59/56/525565956.db2.gz	MMSBRVBPYQFXDY-UHFFFAOYSA-N	0	0	350.426	1.808	10	30		FDEERN
C[C@H]1CC[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)O1	ZINC000128715249	525572464	/nfs/dbraw/zinc/57/24/64/525572464.db2.gz	AVIUVLBYVZDFJN-GUYCJALGSA-N	0	0	353.426	1.942	10	30		FDEERN
CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccn(CCC#N)n2)C12CCCC2	ZINC000119108598	525638853	/nfs/dbraw/zinc/63/88/53/525638853.db2.gz	SBZSSAWDSIGQLS-LSDHHAIUSA-N	0	0	373.457	1.931	10	30		FDEERN
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000106157703	525644883	/nfs/dbraw/zinc/64/48/83/525644883.db2.gz	VJGJYJVCBXAHHK-INIZCTEOSA-N	0	0	366.469	1.827	10	30		FDEERN
Cc1oc(NC(=O)[C@H](C)N2CCO[C@H](Cn3cccn3)C2)c(C#N)c1C	ZINC000106190810	525662566	/nfs/dbraw/zinc/66/25/66/525662566.db2.gz	CXTPCTZVRBBTIQ-ZFWWWQNUSA-N	0	0	357.414	1.693	10	30		FDEERN
CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000106396872	525714897	/nfs/dbraw/zinc/71/48/97/525714897.db2.gz	UGMTYVBGFYCEBZ-CQSZACIVSA-N	0	0	364.833	1.065	10	30		FDEERN
C#CCCCCNC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1	ZINC000155044473	525723357	/nfs/dbraw/zinc/72/33/57/525723357.db2.gz	OTDWSBRXEONMAC-SFHVURJKSA-N	0	0	359.470	1.557	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1	ZINC000186274735	536230647	/nfs/dbraw/zinc/23/06/47/536230647.db2.gz	JUDDSGOAPMDCAU-RDJZCZTQSA-N	0	0	354.431	1.902	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1	ZINC000188299144	536289089	/nfs/dbraw/zinc/28/90/89/536289089.db2.gz	ISKLTLRUIBIDQN-OAHLLOKOSA-N	0	0	351.410	1.453	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c1	ZINC000188573972	536904665	/nfs/dbraw/zinc/90/46/65/536904665.db2.gz	CZXAWLSTHCRDGG-KRWDZBQOSA-N	0	0	363.421	1.524	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)CCO2)c1	ZINC000247770957	537148937	/nfs/dbraw/zinc/14/89/37/537148937.db2.gz	PCHHFIMBWPRGCW-IEBWSBKVSA-N	0	0	356.426	1.204	10	30		FDEERN
N#Cc1ncccc1N1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1	ZINC000290923582	537471642	/nfs/dbraw/zinc/47/16/42/537471642.db2.gz	IPVFZXVXQZKFCC-HNNXBMFYSA-N	0	0	352.442	1.893	10	30		FDEERN
C=C1C/C(=C\C)C(=O)O[C@@H]2CC[N@@+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23	ZINC000575349443	550456733	/nfs/dbraw/zinc/45/67/33/550456733.db2.gz	MFBWLFJOXJWMMP-NFMQYDARSA-N	0	0	350.391	1.017	10	30		FDEERN
Cc1ccc([C@H]2C(=O)C3=C(OCC(=NCCN4CCCC4)N3)C2=O)cc1F	ZINC000584660226	551525337	/nfs/dbraw/zinc/52/53/37/551525337.db2.gz	AVXYFTZKRFKSNF-INIZCTEOSA-N	0	0	371.412	1.695	10	30		FDEERN
Cn1ccnc1[C@@H]1[C@@H](CNc2cncc(C#N)n2)CCC(=O)N1C1CC1	ZINC000596561818	552689243	/nfs/dbraw/zinc/68/92/43/552689243.db2.gz	MCHMYOWIOINCDO-PXAZEXFGSA-N	0	0	351.414	1.636	10	30		FDEERN
C=C1[C@@H](O)C[C@@H]2[C@H](/C=C(/C)C(=O)[C@]3(O)C[C@@H](C)[C@@H](O)[C@H]3[C@@H]1O)C2(C)C	ZINC000669680394	571214082	/nfs/dbraw/zinc/21/40/82/571214082.db2.gz	NVDZRSWQWPPKAI-IHBSYJROSA-N	0	0	350.455	1.204	10	30		FDEERN
Cn1ccnc(N2CCC[C@@H](NC(=O)c3cnc4ccccn43)C2)c1=O	ZINC000328622363	571324498	/nfs/dbraw/zinc/32/44/98/571324498.db2.gz	BFGUELGONTZSPQ-CYBMUJFWSA-N	0	0	352.398	1.402	10	30		FDEERN
O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCO[C@H](c2nccs2)C1	ZINC000330125435	676674399	/nfs/dbraw/zinc/67/43/99/676674399.db2.gz	LZAISOQZFFZTRK-ZETCQYMHSA-N	0	0	362.337	1.768	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])[C@H](O)C1	ZINC000702807030	884229393	/nfs/dbraw/zinc/22/93/93/884229393.db2.gz	NEYGAVKTXUMPOZ-DGCLKSJQSA-N	0	0	363.374	1.501	10	30		FDEERN
C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1	ZINC000010063359	210137360	/nfs/dbraw/zinc/13/73/60/210137360.db2.gz	DNSWEJCDQNAHFZ-UHFFFAOYSA-N	0	0	360.439	1.408	10	30		FDEERN
CCOP(=O)(OCC)OC(=O)/C(=N\OC(C)=O)c1csc(N)n1	ZINC000021992448	211335579	/nfs/dbraw/zinc/33/55/79/211335579.db2.gz	GRUWCWFJSRNUOU-ZROIWOOFSA-N	0	0	365.304	1.717	10	30		FDEERN
C[C@@H](CN(C)S(=O)(=O)c1ccc(Br)cc1)/C(N)=N/O	ZINC000042459696	220939284	/nfs/dbraw/zinc/93/92/84/220939284.db2.gz	FOFVDLPYNIAMJD-QMMMGPOBSA-N	0	0	350.238	1.452	10	30		FDEERN
CCc1nnc([C@@H]2CN(C(=O)C3(c4ccc(C#N)cc4)CC3)CCO2)[nH]1	ZINC000187558821	177815327	/nfs/dbraw/zinc/81/53/27/177815327.db2.gz	AKQNKJVURTVKNI-HNNXBMFYSA-N	0	0	351.410	1.870	10	30		FDEERN
N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000172604200	258280387	/nfs/dbraw/zinc/28/03/87/258280387.db2.gz	LHRIYBCHWVQGCD-MRXNPFEDSA-N	0	0	365.441	1.386	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C)c(N2CCCCS2(=O)=O)cc1C	ZINC000032537123	132374360	/nfs/dbraw/zinc/37/43/60/132374360.db2.gz	POJAVLJCENOKLQ-UHFFFAOYSA-N	0	0	358.485	1.698	10	30		FDEERN
Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(C#N)cc3)CC2)nc1	ZINC000076337028	172106310	/nfs/dbraw/zinc/10/63/10/172106310.db2.gz	RYKNEPBFHABANH-UHFFFAOYSA-N	0	0	363.421	1.985	10	30		FDEERN
N#Cc1cc(F)c(S(=O)(=O)N2CCO[C@@H](Cn3cccn3)C2)c(F)c1	ZINC000125308610	173000772	/nfs/dbraw/zinc/00/07/72/173000772.db2.gz	CKRDSWRNMXIFJY-LBPRGKRZSA-N	0	0	368.365	1.123	10	30		FDEERN
N#Cc1cccc(CNC(=O)N2CCN(c3ccc4nncn4n3)CC2)c1	ZINC000152156501	173422968	/nfs/dbraw/zinc/42/29/68/173422968.db2.gz	OAORKAPWJWUQQK-UHFFFAOYSA-N	0	0	362.397	1.028	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)CC2	ZINC000157597264	173622386	/nfs/dbraw/zinc/62/23/86/173622386.db2.gz	SCNOUHVMEPPLLI-GFCCVEGCSA-N	0	0	365.846	1.659	10	30		FDEERN
N#Cc1csc(C(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)c1	ZINC000175902086	174035411	/nfs/dbraw/zinc/03/54/11/174035411.db2.gz	QURNWTSIXNSVRQ-INIZCTEOSA-N	0	0	371.462	1.817	10	30		FDEERN
Cc1nc(C[C@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)no1	ZINC000176224047	174059229	/nfs/dbraw/zinc/05/92/29/174059229.db2.gz	RDVJTLXJCXGXEZ-MRXNPFEDSA-N	0	0	374.466	1.978	10	30		FDEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)n1	ZINC000177648895	174147985	/nfs/dbraw/zinc/14/79/85/174147985.db2.gz	XWAPBSULITWPEK-INIZCTEOSA-N	0	0	366.425	1.644	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)cc1Cl	ZINC000180977175	174199343	/nfs/dbraw/zinc/19/93/43/174199343.db2.gz	GRKLXZQAMLOBOU-GFCCVEGCSA-N	0	0	365.846	1.904	10	30		FDEERN
C[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000173863592	258313163	/nfs/dbraw/zinc/31/31/63/258313163.db2.gz	FAKWKHLYXGKLGL-QAPCUYQASA-N	0	0	359.495	1.971	10	30		FDEERN
CC(C)[C@H](O)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N	ZINC000178890380	258338579	/nfs/dbraw/zinc/33/85/79/258338579.db2.gz	NBUWTAGYWICHDB-QGZVFWFLSA-N	0	0	355.442	1.782	10	30		FDEERN
C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1cnn(Cc2ccccc2)c1	ZINC000301822543	259034400	/nfs/dbraw/zinc/03/44/00/259034400.db2.gz	HFRSVIUOHOQJJY-CYBMUJFWSA-N	0	0	364.409	1.374	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)C2)n1	ZINC000329749124	259110423	/nfs/dbraw/zinc/11/04/23/259110423.db2.gz	HFZKJKZPIQUSBB-XLAORIBOSA-N	0	0	354.454	1.707	10	30		FDEERN
COCCn1c(-c2cccc(C#N)c2)nc2c1c(=O)[nH]c(=O)n2CC(C)C	ZINC000010945938	518547950	/nfs/dbraw/zinc/54/79/50/518547950.db2.gz	AUIVRBOAKFNXED-UHFFFAOYSA-N	0	0	367.409	1.727	10	30		FDEERN
N#Cc1cccnc1N1CCCN([C@H](C(N)=O)c2ccc(F)cc2)CC1	ZINC000066437508	523059948	/nfs/dbraw/zinc/05/99/48/523059948.db2.gz	UAQPJEJVRXDUFV-KRWDZBQOSA-N	0	0	353.401	1.831	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)n1	ZINC000110896760	524156990	/nfs/dbraw/zinc/15/69/90/524156990.db2.gz	CCQOPOQEXSPSFG-CQSZACIVSA-N	0	0	369.425	1.728	10	30		FDEERN
Cc1nc(CN2CCCN(C(=O)NCc3ccc(C#N)cc3F)CC2)no1	ZINC000174767387	524731195	/nfs/dbraw/zinc/73/11/95/524731195.db2.gz	RMIUXBWIWWQOSJ-UHFFFAOYSA-N	0	0	372.404	1.806	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](Oc3cccnc3)C2)cc1	ZINC000152205976	524811956	/nfs/dbraw/zinc/81/19/56/524811956.db2.gz	GFNVQKQXYBWBEC-QGZVFWFLSA-N	0	0	357.435	1.880	10	30		FDEERN
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1	ZINC000116586949	525178647	/nfs/dbraw/zinc/17/86/47/525178647.db2.gz	BDKLQLODYBYXCE-AWEZNQCLSA-N	0	0	354.410	1.940	10	30		FDEERN
CCCCCCCCCCCC(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000097973261	525197028	/nfs/dbraw/zinc/19/70/28/525197028.db2.gz	HABWUWJGNVZVPU-CZIOMAOESA-N	0	0	362.463	1.250	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCN(CCOC)[C@@H](C)C2)cc1	ZINC000117446846	525342479	/nfs/dbraw/zinc/34/24/79/525342479.db2.gz	KXXJHPOZEMSCKD-HNNXBMFYSA-N	0	0	360.458	1.787	10	30		FDEERN
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2C)CCN1C[C@@H](C)O	ZINC000178516539	525440830	/nfs/dbraw/zinc/44/08/30/525440830.db2.gz	WYRITWJAILGOKC-CZUORRHYSA-N	0	0	358.442	1.109	10	30		FDEERN
CN(c1cccnn1)C1CCN(CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000106085387	525570623	/nfs/dbraw/zinc/57/06/23/525570623.db2.gz	CJIXWDLNTMJWOX-UHFFFAOYSA-N	0	0	356.474	1.720	10	30		FDEERN
CCN(C[C@H](C)C#N)C(=O)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000106144477	525629302	/nfs/dbraw/zinc/62/93/02/525629302.db2.gz	WHGCXAXORPERET-QGZVFWFLSA-N	0	0	374.533	1.764	10	30		FDEERN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(c2nccc(OCC)n2)CC1	ZINC000106152420	525634908	/nfs/dbraw/zinc/63/49/08/525634908.db2.gz	BEMKDMRMXDYDFH-MRXNPFEDSA-N	0	0	361.490	1.810	10	30		FDEERN
COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cc(C#N)ccc1F	ZINC000119350349	525714711	/nfs/dbraw/zinc/71/47/11/525714711.db2.gz	FVGCGLXGCCHQOH-CQSZACIVSA-N	0	0	358.377	1.770	10	30		FDEERN
O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H]1CCCN(c2cccnn2)C1	ZINC000119467944	525754963	/nfs/dbraw/zinc/75/49/63/525754963.db2.gz	SMUHBYDGGYDURA-OAHLLOKOSA-N	0	0	350.378	1.342	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000170935766	525779404	/nfs/dbraw/zinc/77/94/04/525779404.db2.gz	GBJVNYRFQZMARC-UYAOXDASSA-N	0	0	357.498	1.927	10	30		FDEERN
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000181728236	525908137	/nfs/dbraw/zinc/90/81/37/525908137.db2.gz	PCEZEIKENIAXOI-AWEZNQCLSA-N	0	0	359.455	1.875	10	30		FDEERN
CN1CCO[C@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000171604530	526046395	/nfs/dbraw/zinc/04/63/95/526046395.db2.gz	QRZXQDGXMHOOHG-OAHLLOKOSA-N	0	0	355.360	1.687	10	30		FDEERN
N#Cc1ccc(N2CCN(c3ccc4nncn4n3)CC2)c([N+](=O)[O-])c1	ZINC000108947010	526046829	/nfs/dbraw/zinc/04/68/29/526046829.db2.gz	RQYCDLRYVXFCTL-UHFFFAOYSA-N	0	0	350.342	1.231	10	30		FDEERN
C[C@H](NC(=O)c1ccco1)C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184283528	536126414	/nfs/dbraw/zinc/12/64/14/536126414.db2.gz	KJHYFIGTASMKBI-NSHDSACASA-N	0	0	350.338	1.489	10	30		FDEERN
CCO[C@H]1C[C@H](NS(=O)(=O)c2ccccc2C#N)C12CCOCC2	ZINC000185148246	536200423	/nfs/dbraw/zinc/20/04/23/536200423.db2.gz	RTOOQMHJPIXKQK-HOTGVXAUSA-N	0	0	350.440	1.811	10	30		FDEERN
Cc1cc(N(CCC#N)C(=O)CN2C[C@H](O)C[C@@H]2CO)ccc1Cl	ZINC000185164573	536200810	/nfs/dbraw/zinc/20/08/10/536200810.db2.gz	OEIIHOWXWKEIIB-HUUCEWRRSA-N	0	0	351.834	1.323	10	30		FDEERN
C=CCc1ccc(OC[C@H](O)CN2CC(NC(=O)C3CCC3)C2)c(OC)c1	ZINC000185934745	536221839	/nfs/dbraw/zinc/22/18/39/536221839.db2.gz	BUFBWSHNAXSKQO-GOSISDBHSA-N	0	0	374.481	1.764	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@H](OCC)C23CCOCC3)c1	ZINC000187290002	536260433	/nfs/dbraw/zinc/26/04/33/536260433.db2.gz	HLTGVADXKPTAOW-IRXDYDNUSA-N	0	0	356.422	1.697	10	30		FDEERN
CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000187336701	536262569	/nfs/dbraw/zinc/26/25/69/536262569.db2.gz	MZYWGNGXWUQQQZ-LBPRGKRZSA-N	0	0	368.315	1.253	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCO1	ZINC000263419311	537029775	/nfs/dbraw/zinc/02/97/75/537029775.db2.gz	OYEGCIIESAXWQH-AWEZNQCLSA-N	0	0	374.828	1.981	10	30		FDEERN
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)c2C#N)CCN1C[C@H](C)O	ZINC000247112289	537083669	/nfs/dbraw/zinc/08/36/69/537083669.db2.gz	RETRYXXMSDTDSR-LSDHHAIUSA-N	0	0	358.442	1.109	10	30		FDEERN
CCOCCN1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000247733341	537146913	/nfs/dbraw/zinc/14/69/13/537146913.db2.gz	MLDXUZCCWYLYCM-APWZRJJASA-N	0	0	356.470	1.706	10	30		FDEERN
CC[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCN1C[C@H](C)O	ZINC000252692844	537251313	/nfs/dbraw/zinc/25/13/13/537251313.db2.gz	XBSMDYZAPKQMNS-AAEUAGOBSA-N	0	0	373.425	1.302	10	30		FDEERN
C#CCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1	ZINC000193981271	537257646	/nfs/dbraw/zinc/25/76/46/537257646.db2.gz	VGDCHXWZSJSLSE-HNNXBMFYSA-N	0	0	360.460	1.613	10	30		FDEERN
CC1(C)C(c2ccco2)=[N+]([O-])[C@]2(CCCCC/C2=N\NC(N)=S)N1O	ZINC000225401742	537545571	/nfs/dbraw/zinc/54/55/71/537545571.db2.gz	KIWZSLVWYRCRFX-YAJBTMAUSA-O	0	0	366.467	1.803	10	30		FDEERN
Cn1cc(O[C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2O)cn1	ZINC000599115177	552969829	/nfs/dbraw/zinc/96/98/29/552969829.db2.gz	XFUCJMKGEVNUQX-HUUCEWRRSA-N	0	0	352.316	1.939	10	30		FDEERN
C=C(C)Cn1c(N=NCc2ccccc2O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000618254714	555600438	/nfs/dbraw/zinc/60/04/38/555600438.db2.gz	HAJIHTCBBHXCQP-QGMBQPNBSA-N	0	0	354.370	1.563	10	30		FDEERN
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(C=O)C[C@H](O)[C@@H]12	ZINC000077286571	210067538	/nfs/dbraw/zinc/06/75/38/210067538.db2.gz	AYWYRFAPXIHLER-ZVIOFETBSA-N	0	0	358.434	1.622	10	30	in-vitro	FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)ccc1F	ZINC000046220207	210060288	/nfs/dbraw/zinc/06/02/88/210060288.db2.gz	DCRPNCGBBPKKLX-SMDDNHRTSA-N	0	0	356.419	1.587	10	30		FDEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000188303425	177853651	/nfs/dbraw/zinc/85/36/51/177853651.db2.gz	HTJSWVGNRYYURW-AWEZNQCLSA-N	0	0	366.425	1.651	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C)CCO2)n1	ZINC000172675581	258282408	/nfs/dbraw/zinc/28/24/08/258282408.db2.gz	JWVAIGAKPVIAIS-KRWDZBQOSA-N	0	0	374.466	1.770	10	30		FDEERN
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCO[C@H](c3ccco3)C2)n1	ZINC000091246457	172281822	/nfs/dbraw/zinc/28/18/22/172281822.db2.gz	RZPMSAAAAIJVID-AWEZNQCLSA-N	0	0	357.370	1.467	10	30		FDEERN
COC[C@H](C)C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC000103430588	172364634	/nfs/dbraw/zinc/36/46/34/172364634.db2.gz	VDPDPKFYIUWHBN-AWEZNQCLSA-N	0	0	355.442	1.966	10	30		FDEERN
COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C#N)ccc1C	ZINC000129394031	173137045	/nfs/dbraw/zinc/13/70/45/173137045.db2.gz	CELZWBGWFIFLOZ-CYBMUJFWSA-N	0	0	361.427	1.418	10	30		FDEERN
N#Cc1ccc(OC2CN(C(=O)c3cc4c([nH]c3=O)CCCC4=O)C2)cc1	ZINC000130555059	173174093	/nfs/dbraw/zinc/17/40/93/173174093.db2.gz	DEUGSOJVONZTBE-UHFFFAOYSA-N	0	0	363.373	1.669	10	30		FDEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@@H](Cn2nc(C)cc2C)C1	ZINC000177057970	174104021	/nfs/dbraw/zinc/10/40/21/174104021.db2.gz	HEKOPQNLDAMFAF-MOPGFXCFSA-N	0	0	368.437	1.987	10	30		FDEERN
Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3C)C2)no1	ZINC000178516361	174192097	/nfs/dbraw/zinc/19/20/97/174192097.db2.gz	VDEYDYWKQVOHTG-AWEZNQCLSA-N	0	0	367.409	1.978	10	30		FDEERN
CC(=O)c1ccc(C#N)c(N2CCN(c3cc(C)nc4ncnn43)CC2)c1	ZINC000302038978	259038012	/nfs/dbraw/zinc/03/80/12/259038012.db2.gz	QOZKDKNYSBGQFW-UHFFFAOYSA-N	0	0	361.409	1.834	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)C2)n1	ZINC000329749123	259110575	/nfs/dbraw/zinc/11/05/75/259110575.db2.gz	HFZKJKZPIQUSBB-WNRNVDISSA-N	0	0	354.454	1.707	10	30		FDEERN
Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000330190197	259131976	/nfs/dbraw/zinc/13/19/76/259131976.db2.gz	MIXFRJUBMKCXFI-BHIYHBOVSA-N	0	0	366.421	1.969	10	30		FDEERN
CC(C)NC(=O)CSc1nnc(NN=Cc2ccc(O)cc2O)[nH]1	ZINC000005909889	518359428	/nfs/dbraw/zinc/35/94/28/518359428.db2.gz	KKMMZXXFGMSCJJ-GIDUJCDVSA-N	0	0	350.404	1.279	10	30		FDEERN
Cn1c(=O)c2c(N=[N+]=[N-])c([N+](=O)[O-])c(=O)n(-c3ccccc3)c2n(C)c1=O	ZINC000033377142	519588082	/nfs/dbraw/zinc/58/80/82/519588082.db2.gz	CZCZOWCWFIGZSW-UHFFFAOYSA-N	0	0	369.297	1.238	10	30		FDEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000121677606	524327334	/nfs/dbraw/zinc/32/73/34/524327334.db2.gz	XMILHAHKLQAKAY-ZDUSSCGKSA-N	0	0	356.361	1.441	10	30		FDEERN
CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccn(CCC#N)n2)ncn1	ZINC000173369869	524375398	/nfs/dbraw/zinc/37/53/98/524375398.db2.gz	NHQPUZWRCFYRAF-ZDUSSCGKSA-N	0	0	369.433	1.419	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(Cc3cnc4ccc(C#N)cn34)CCO2)n1	ZINC000122567688	524564530	/nfs/dbraw/zinc/56/45/30/524564530.db2.gz	POCYQMCDVBVALI-SFHVURJKSA-N	0	0	350.426	1.920	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1C	ZINC000152027623	524760954	/nfs/dbraw/zinc/76/09/54/524760954.db2.gz	AULMKCZDVNHMBL-ZDUSSCGKSA-N	0	0	355.435	1.429	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C)c3C#N)CCO2)c1	ZINC000174864140	524766254	/nfs/dbraw/zinc/76/62/54/524766254.db2.gz	QKRXFQHPYZUFAN-HNNXBMFYSA-N	0	0	367.409	1.238	10	30		FDEERN
CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C[C@@H]1C	ZINC000174895967	524782871	/nfs/dbraw/zinc/78/28/71/524782871.db2.gz	OVFGDTJICOEYOM-HNNXBMFYSA-N	0	0	358.442	1.374	10	30		FDEERN
CN(C[C@H](c1cccs1)N1CCOCC1)S(=O)(=O)CCCC#N	ZINC000175213026	524904869	/nfs/dbraw/zinc/90/48/69/524904869.db2.gz	FITQKZBSURJWFM-CQSZACIVSA-N	0	0	357.501	1.687	10	30		FDEERN
N#CCCN(Cc1ccco1)C[C@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000176291232	525079548	/nfs/dbraw/zinc/07/95/48/525079548.db2.gz	OCVIIGWEVPODRD-AWEZNQCLSA-N	0	0	353.378	1.652	10	30		FDEERN
Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)C2)c1	ZINC000125594397	525216347	/nfs/dbraw/zinc/21/63/47/525216347.db2.gz	LCFKWADFWIULFA-AWEZNQCLSA-N	0	0	355.402	1.104	10	30		FDEERN
N#Cc1ccc(NC(=O)C(=O)NCCNC(=O)CC2CCCCC2)cc1	ZINC000102091436	525274319	/nfs/dbraw/zinc/27/43/19/525274319.db2.gz	UVSRVXKVNUTFIO-UHFFFAOYSA-N	0	0	356.426	1.700	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)c1	ZINC000177655053	525326520	/nfs/dbraw/zinc/32/65/20/525326520.db2.gz	DNOAHCVYZIYACW-GOSISDBHSA-N	0	0	366.421	1.347	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000117368787	525327788	/nfs/dbraw/zinc/32/77/88/525327788.db2.gz	OIVUAHPHRIZKRR-ZDUSSCGKSA-N	0	0	371.890	1.943	10	30		FDEERN
N#CCCCCS(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000178696652	525464626	/nfs/dbraw/zinc/46/46/26/525464626.db2.gz	YQHWSUKUTMHQRI-QGZVFWFLSA-N	0	0	351.472	1.361	10	30		FDEERN
CCOc1ccnc(N2CCN(CC(=O)Nc3sccc3C#N)CC2)n1	ZINC000106152615	525635717	/nfs/dbraw/zinc/63/57/17/525635717.db2.gz	FRIIZFIRGSNNGD-UHFFFAOYSA-N	0	0	372.454	1.569	10	30		FDEERN
CCOc1cc(C)nc(N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)n1	ZINC000106154135	525636902	/nfs/dbraw/zinc/63/69/02/525636902.db2.gz	QLGNJWRUAMZSSH-IBGZPJMESA-N	0	0	372.473	1.114	10	30		FDEERN
CCOc1cc(C)nc(N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)n1	ZINC000106154132	525637354	/nfs/dbraw/zinc/63/73/54/525637354.db2.gz	LYYAILBPGMJYJX-LJQANCHMSA-N	0	0	374.489	1.360	10	30		FDEERN
C[C@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)COCc1ccccc1	ZINC000154842588	525656579	/nfs/dbraw/zinc/65/65/79/525656579.db2.gz	RQDRDALSFNXWTD-WMZOPIPTSA-N	0	0	367.453	1.436	10	30		FDEERN
CCc1noc([C@@H](C)N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)n1	ZINC000171818282	526135462	/nfs/dbraw/zinc/13/54/62/526135462.db2.gz	ZFILESXGJIUOAJ-CQSZACIVSA-N	0	0	353.426	1.952	10	30		FDEERN
O=C(NCCNC(=O)C1N=CC=CC1=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1	ZINC000171882871	526164638	/nfs/dbraw/zinc/16/46/38/526164638.db2.gz	VFKWOPJGRLVSAR-NOBPZZDQSA-N	0	0	361.348	1.711	10	30		FDEERN
O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000171899870	526171311	/nfs/dbraw/zinc/17/13/11/526171311.db2.gz	WNWSQZNRNUXZRB-MVLFFRDUSA-N	0	0	374.363	1.933	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000185126352	536199413	/nfs/dbraw/zinc/19/94/13/536199413.db2.gz	RUZZFXDKBMGQCA-QRWLVFNGSA-N	0	0	356.422	1.791	10	30		FDEERN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@H](O)C[C@@H]2CO)c1C#N	ZINC000185181256	536201761	/nfs/dbraw/zinc/20/17/61/536201761.db2.gz	QPKKEBCIGZYCBA-IAGOWNOFSA-N	0	0	374.485	1.848	10	30		FDEERN
Cc1noc([C@H]2COCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)n1	ZINC000185739807	536216397	/nfs/dbraw/zinc/21/63/97/536216397.db2.gz	BEVUSCSXHHXDFC-GFCCVEGCSA-N	0	0	368.802	1.665	10	30		FDEERN
CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@H]1CCCN(c2cccnn2)C1	ZINC000188570941	536904785	/nfs/dbraw/zinc/90/47/85/536904785.db2.gz	VJNCECHVDQXURM-INIZCTEOSA-N	0	0	364.409	1.414	10	30		FDEERN
CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C#N)c(O)c2)ncn1	ZINC000188592737	536908281	/nfs/dbraw/zinc/90/82/81/536908281.db2.gz	MVFFGXNMTCJCLD-CQSZACIVSA-N	0	0	352.398	1.494	10	30		FDEERN
N#Cc1ccc(OCC(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)cc1	ZINC000262928750	536940620	/nfs/dbraw/zinc/94/06/20/536940620.db2.gz	BBOBZJQLBZWNIT-UHFFFAOYSA-N	0	0	357.410	1.381	10	30		FDEERN
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000248640122	537199566	/nfs/dbraw/zinc/19/95/66/537199566.db2.gz	MAYZJRNVIMWVJF-WMLDXEAASA-N	0	0	350.440	1.883	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)CCO2)n1	ZINC000252352839	537249588	/nfs/dbraw/zinc/24/95/88/537249588.db2.gz	OFKANMKFKFBZNW-UYAOXDASSA-N	0	0	370.453	1.512	10	30		FDEERN
C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](O)[C@H]3[C@H](O)[C@@H](C)C[C@]3(O)C1=O)C2(C)C	ZINC000575448211	550463870	/nfs/dbraw/zinc/46/38/70/550463870.db2.gz	VEFQDSXSELSHMX-XJNDNVSMSA-N	0	0	350.455	1.446	10	30		FDEERN
C=CCOC(=O)N(C)OS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000584591510	551523277	/nfs/dbraw/zinc/52/32/77/551523277.db2.gz	QJVUEKLOHWVWLJ-UHFFFAOYSA-N	0	0	361.288	1.378	10	30		FDEERN
CC#CCn1c(Cl)cc(=O)n(Cc2nc(C)c3ccccc3n2)c1=O	ZINC000584660227	551525392	/nfs/dbraw/zinc/52/53/92/551525392.db2.gz	UJLHPCQKKIDCGN-UHFFFAOYSA-N	0	0	354.797	1.987	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2O)ccc1F	ZINC000152181649	671878614	/nfs/dbraw/zinc/87/86/14/671878614.db2.gz	SIGBKOJLCCVESL-KGLIPLIRSA-N	0	0	356.419	1.323	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ccc(Br)cc2C#N)CCO1	ZINC000262187426	672743007	/nfs/dbraw/zinc/74/30/07/672743007.db2.gz	XWHZMCARIXEUCX-ZDUSSCGKSA-N	0	0	368.231	1.542	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000262490626	672797979	/nfs/dbraw/zinc/79/79/79/672797979.db2.gz	WWPJSVRIKOYFHZ-UHFFFAOYSA-N	0	0	371.846	1.427	10	30		FDEERN
O=C(c1cccc(C#CCO)c1)N1CCC[C@H]1Cn1cc(C2CC2)nn1	ZINC000908093026	854977366	/nfs/dbraw/zinc/97/73/66/854977366.db2.gz	DVUNLHMCJJKUEL-SFHVURJKSA-N	0	0	350.422	1.804	10	30		FDEERN
CCn1cc([C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3)CCO2)cn1	ZINC000190534772	178008160	/nfs/dbraw/zinc/00/81/60/178008160.db2.gz	QNIWBAWDRNZJLC-MRXNPFEDSA-N	0	0	353.382	1.313	10	30		FDEERN
C[C@H](CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCCCC1=O	ZINC000192834430	178135616	/nfs/dbraw/zinc/13/56/16/178135616.db2.gz	FAQNUHMKXCBHLP-OAHLLOKOSA-N	0	0	355.442	1.393	10	30		FDEERN
C=CCO[C@@H]1[C@@H](NC(C)=O)[C@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]21	ZINC000077302506	210068281	/nfs/dbraw/zinc/06/82/81/210068281.db2.gz	YHGQSPVMUYCILV-VEAXJEOVSA-N	0	0	363.410	1.548	10	30	in-vitro	FDEERN
C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O	ZINC000070451385	210063010	/nfs/dbraw/zinc/06/30/10/210063010.db2.gz	BOJKULTULYSRAS-ZENADFHFSA-N	0	0	350.455	1.963	10	30		FDEERN
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]1(CO)[C@H](C[C@H]3O)C(C)(C)CC[C@@H]1O	ZINC000014806731	211103043	/nfs/dbraw/zinc/10/30/43/211103043.db2.gz	WHSUEVLJUHPROF-BIGDWJEQSA-N	0	0	350.455	1.039	10	30	biogenic,in-vitro	FDEERN
CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@H]1CCCN(c2cccnn2)C1	ZINC000188575315	177870038	/nfs/dbraw/zinc/87/00/38/177870038.db2.gz	LKIFZWSTRIOHKW-INIZCTEOSA-N	0	0	364.409	1.414	10	30		FDEERN
N#Cc1ccc(N2CC[C@@H](N3CCN(Cc4ccon4)CC3)C2=O)cc1	ZINC000072723321	172048598	/nfs/dbraw/zinc/04/85/98/172048598.db2.gz	KARRJHMAPCUAFM-GOSISDBHSA-N	0	0	351.410	1.469	10	30		FDEERN
N#Cc1ccc([C@H](O)Cn2cnc3c2ncnc3N2CCOCC2)cc1	ZINC000092857453	172308321	/nfs/dbraw/zinc/30/83/21/172308321.db2.gz	VSKCNAYOUUEEBC-OAHLLOKOSA-N	0	0	350.382	1.268	10	30		FDEERN
Cc1nnc([C@@H]2CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CCO2)[nH]1	ZINC000125749431	173017136	/nfs/dbraw/zinc/01/71/36/173017136.db2.gz	HAUAZSJNFHWOSY-LBPRGKRZSA-N	0	0	369.353	1.025	10	30		FDEERN
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](Cn2cncn2)C1	ZINC000127163229	173066689	/nfs/dbraw/zinc/06/66/89/173066689.db2.gz	QSBBEMAGJVIYNV-HNNXBMFYSA-N	0	0	355.398	1.476	10	30		FDEERN
Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000128390858	173109144	/nfs/dbraw/zinc/10/91/44/173109144.db2.gz	SNAWNHWVDOTNHD-INIZCTEOSA-N	0	0	371.466	1.946	10	30		FDEERN
COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C#N)ccc1C	ZINC000129394243	173137788	/nfs/dbraw/zinc/13/77/88/173137788.db2.gz	CELZWBGWFIFLOZ-ZDUSSCGKSA-N	0	0	361.427	1.418	10	30		FDEERN
C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1N1CCOCC1	ZINC000177273716	174119206	/nfs/dbraw/zinc/11/92/06/174119206.db2.gz	WVWPNRWNIOYVTM-DYVFJYSZSA-N	0	0	362.861	1.803	10	30		FDEERN
N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1	ZINC000177337060	174122562	/nfs/dbraw/zinc/12/25/62/174122562.db2.gz	JULNMHDPMDJFJO-MRXNPFEDSA-N	0	0	365.441	1.907	10	30		FDEERN
CCOC(=O)c1cnn2c1nnc1c2ccn(-c2ccccc2C#N)c1=O	ZINC000072466183	221541772	/nfs/dbraw/zinc/54/17/72/221541772.db2.gz	UHBLLECEDYNUHF-UHFFFAOYSA-N	0	0	360.333	1.477	10	30		FDEERN
CCN1CCCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1=O	ZINC000329960392	259119749	/nfs/dbraw/zinc/11/97/49/259119749.db2.gz	RCHNDNRHLSOFKD-QGZVFWFLSA-N	0	0	369.469	1.559	10	30		FDEERN
N#Cc1cccc([C@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)CCO2)c1	ZINC000330125994	259127831	/nfs/dbraw/zinc/12/78/31/259127831.db2.gz	CSECLWMFHUTEJK-DOTOQJQBSA-N	0	0	353.382	1.325	10	30		FDEERN
N#Cc1cccc([C@@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)CCO2)c1	ZINC000330126001	259128121	/nfs/dbraw/zinc/12/81/21/259128121.db2.gz	CSECLWMFHUTEJK-RDJZCZTQSA-N	0	0	353.382	1.325	10	30		FDEERN
C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](O)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(O)C1=O)C2(C)C	ZINC000034500156	518477647	/nfs/dbraw/zinc/47/76/47/518477647.db2.gz	VEFQDSXSELSHMX-NSNBXJAASA-N	0	0	350.455	1.446	10	30	biogenic,in-vitro	FDEERN
Cc1nn(C[C@H](O)COCc2ccc3c(c2)OCO3)c(=O)c(C#N)c1C	ZINC000028915619	519256359	/nfs/dbraw/zinc/25/63/59/519256359.db2.gz	ZDABHZIQWBQNBD-AWEZNQCLSA-N	0	0	357.366	1.038	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(C(=O)Cc3ccc(OCC#N)cc3)CCO2)n1	ZINC000110905885	524160100	/nfs/dbraw/zinc/16/01/00/524160100.db2.gz	JKIRHNKDJJZNAD-IBGZPJMESA-N	0	0	368.437	1.872	10	30		FDEERN
CCn1cnnc1C1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1	ZINC000137520413	524241393	/nfs/dbraw/zinc/24/13/93/524241393.db2.gz	WILPEAKNIDSRBJ-UHFFFAOYSA-N	0	0	352.394	1.784	10	30		FDEERN
Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)Cc3cccc(C#N)c3)CCO2)n1	ZINC000111344880	524266031	/nfs/dbraw/zinc/26/60/31/524266031.db2.gz	YPHYZALXNRXOFV-SFHVURJKSA-N	0	0	374.466	1.602	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cccc(C)c3C#N)CCO2)n1	ZINC000157435310	524273382	/nfs/dbraw/zinc/27/33/82/524273382.db2.gz	FUJSHGMMJUUFOM-MRXNPFEDSA-N	0	0	374.466	1.770	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1	ZINC000173688690	524435712	/nfs/dbraw/zinc/43/57/12/524435712.db2.gz	GPSQZBQFEAEKFI-AWEZNQCLSA-N	0	0	371.372	1.231	10	30		FDEERN
C=CCCOCCNC(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1	ZINC000122509668	524554362	/nfs/dbraw/zinc/55/43/62/524554362.db2.gz	JTPIQFMMEOILAN-AWEZNQCLSA-N	0	0	351.451	1.613	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)CC2	ZINC000159370753	524653535	/nfs/dbraw/zinc/65/35/35/524653535.db2.gz	ZIBZARDCNYHAIH-HNNXBMFYSA-N	0	0	359.455	1.708	10	30		FDEERN
CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000151942122	524732778	/nfs/dbraw/zinc/73/27/78/524732778.db2.gz	URFCGAQVDOEJTE-AWEZNQCLSA-N	0	0	353.419	1.767	10	30		FDEERN
COc1ccc(C#N)cc1CN1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000159933854	524771191	/nfs/dbraw/zinc/77/11/91/524771191.db2.gz	HUBGZPYUYRKQRZ-FQEVSTJZSA-N	0	0	372.513	1.794	10	30		FDEERN
Cc1nc2c(cnn2C)c(N2CCN(CC#Cc3ccc(F)cc3)CC2)n1	ZINC000159972969	524781113	/nfs/dbraw/zinc/78/11/13/524781113.db2.gz	PXOWRNTXTCKWAF-UHFFFAOYSA-N	0	0	364.428	1.985	10	30		FDEERN
CCc1nc2n(n1)C[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)CC2	ZINC000114870336	524901631	/nfs/dbraw/zinc/90/16/31/524901631.db2.gz	KUNJCVCAMLWFGJ-CYBMUJFWSA-N	0	0	368.441	1.081	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCN(C[C@@H](O)CC)CC2)cc1	ZINC000175350493	524950442	/nfs/dbraw/zinc/95/04/42/524950442.db2.gz	XIGYDTVOVMQISU-KRWDZBQOSA-N	0	0	360.458	1.523	10	30		FDEERN
CN(C)C(=O)C1(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCCC1	ZINC000152923991	525050311	/nfs/dbraw/zinc/05/03/11/525050311.db2.gz	AOISSUFHJLLNLT-UHFFFAOYSA-N	0	0	370.453	1.979	10	30		FDEERN
Cc1cnn(CCN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=N)c1	ZINC000153998017	525387395	/nfs/dbraw/zinc/38/73/95/525387395.db2.gz	XTBIEGKNZULTEU-UHFFFAOYSA-N	0	0	350.426	1.851	10	30		FDEERN
Cc1ccc([C@H](CNS(=O)(=O)CC2(C#N)CC2)N2CCOCC2)s1	ZINC000165845464	525561324	/nfs/dbraw/zinc/56/13/24/525561324.db2.gz	OLSLPSSTNRKKDQ-AWEZNQCLSA-N	0	0	369.512	1.653	10	30		FDEERN
CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000106096092	525576578	/nfs/dbraw/zinc/57/65/78/525576578.db2.gz	BXXGDBCOXFWOHP-HKUYNNGSSA-N	0	0	358.486	1.346	10	30		FDEERN
C[C@@H](C(=O)N(C)CCC#N)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000106145096	525629964	/nfs/dbraw/zinc/62/99/64/525629964.db2.gz	CFRXTMJMVCJOLV-INIZCTEOSA-N	0	0	360.506	1.516	10	30		FDEERN
Cc1nn(C)c(C)c1CN1CCN(CC(=O)Nc2sccc2C#N)CC1	ZINC000106142900	525629978	/nfs/dbraw/zinc/62/99/78/525629978.db2.gz	OUWOXJNGNFUMOU-UHFFFAOYSA-N	0	0	372.498	1.726	10	30		FDEERN
C[C@H](C(=O)Nc1ccccc1C#N)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000106155760	525641103	/nfs/dbraw/zinc/64/11/03/525641103.db2.gz	XJWAOSFPNZWTHR-MRXNPFEDSA-N	0	0	366.469	1.827	10	30		FDEERN
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCO[C@H](Cn2cccn2)C1	ZINC000106190489	525660519	/nfs/dbraw/zinc/66/05/19/525660519.db2.gz	NSVUGRWMOUBZID-NRGCRIOASA-N	0	0	373.501	1.903	10	30		FDEERN
Cc1cc(C)n(C[C@H]2CN(C[C@H](O)COc3ccc(C#N)cc3)CCO2)n1	ZINC000106201506	525669009	/nfs/dbraw/zinc/66/90/09/525669009.db2.gz	OFKANMKFKFBZNW-AZUAARDMSA-N	0	0	370.453	1.512	10	30		FDEERN
CN1CCO[C@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1	ZINC000108891990	526041205	/nfs/dbraw/zinc/04/12/05/526041205.db2.gz	XERNWHXICBVDGY-QGZVFWFLSA-N	0	0	358.442	1.160	10	30		FDEERN
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(Nc2cccnn2)CC1	ZINC000120874043	526207237	/nfs/dbraw/zinc/20/72/37/526207237.db2.gz	YHIGSPDPMHAWKG-UHFFFAOYSA-N	0	0	361.402	1.753	10	30		FDEERN
[O-]C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)=[NH+]CCn1cccn1	ZINC000328638374	527585273	/nfs/dbraw/zinc/58/52/73/527585273.db2.gz	WHUXMZMCINHNGP-NSHDSACASA-N	0	0	356.352	1.865	10	30		FDEERN
C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1N1CCOCC1	ZINC000246593063	536987610	/nfs/dbraw/zinc/98/76/10/536987610.db2.gz	WVWPNRWNIOYVTM-SUMWQHHRSA-N	0	0	362.861	1.803	10	30		FDEERN
CCn1cc([C@@H]2CN(S(=O)(=O)c3cccc(C)c3C#N)CCO2)cn1	ZINC000189217937	537013494	/nfs/dbraw/zinc/01/34/94/537013494.db2.gz	FBFNCZZXCYGTSZ-INIZCTEOSA-N	0	0	360.439	1.845	10	30		FDEERN
Cc1cnn(C[C@@H]2CN([C@H](C)C(=O)Nc3ccccc3C#N)CCO2)c1	ZINC000247771867	537149134	/nfs/dbraw/zinc/14/91/34/537149134.db2.gz	PJKBDRQTIFGJHH-WBVHZDCISA-N	0	0	353.426	1.791	10	30		FDEERN
CC1(C)C(C2=S=CC=C2)=[N+]([O-])[C@@]2(CCCC/C2=N\NC(N)=S)N1O	ZINC000575346562	550455573	/nfs/dbraw/zinc/45/55/73/550455573.db2.gz	WKFOGJDMDUISON-VUVCFOEZSA-O	0	0	368.508	1.050	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)Nc2ccc(F)cn2)CC1	ZINC000328621368	571136396	/nfs/dbraw/zinc/13/63/96/571136396.db2.gz	AJOCKYTUXAOPJZ-CQSZACIVSA-N	0	0	373.436	2.125	10	30		FDEERN
O=C(CN1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1)Nc1nccs1	ZINC000328605663	571323976	/nfs/dbraw/zinc/32/39/76/571323976.db2.gz	OOTKMADKIUWNJZ-ZDUSSCGKSA-N	0	0	374.470	1.835	10	30		FDEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C	ZINC000081450710	172189907	/nfs/dbraw/zinc/18/99/07/172189907.db2.gz	RDIOBHRYXHKNFE-CYBMUJFWSA-N	0	0	361.442	1.985	10	30		FDEERN
C[C@H](C(=O)OC(C)(C)C)N(C)CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000081567345	172191982	/nfs/dbraw/zinc/19/19/82/172191982.db2.gz	RNQCNSWGECEAJP-CYBMUJFWSA-N	0	0	352.456	1.994	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)CCN2CCC(Nc3cccnn3)CC2)c1	ZINC000128613755	173114857	/nfs/dbraw/zinc/11/48/57/173114857.db2.gz	PWNQFNQFUJLSJT-UHFFFAOYSA-N	0	0	371.466	1.698	10	30		FDEERN
CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC000175585779	174013509	/nfs/dbraw/zinc/01/35/09/174013509.db2.gz	COZQGXZGRAYZJP-UHFFFAOYSA-N	0	0	360.849	1.794	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)CCN2CCC(Cn3cccn3)CC2)cc1	ZINC000176233962	174060318	/nfs/dbraw/zinc/06/03/18/174060318.db2.gz	QCGOQGNTQDWPPP-UHFFFAOYSA-N	0	0	358.467	1.941	10	30		FDEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@H](Cn2nc(C)cc2C)C1	ZINC000177057952	174104450	/nfs/dbraw/zinc/10/44/50/174104450.db2.gz	HEKOPQNLDAMFAF-OALUTQOASA-N	0	0	368.437	1.987	10	30		FDEERN
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1	ZINC000177396461	174128512	/nfs/dbraw/zinc/12/85/12/174128512.db2.gz	FLXUPLMHFRFEKR-HNNXBMFYSA-N	0	0	356.426	1.592	10	30		FDEERN
N#Cc1ccccc1CSCCNC(=O)N1CC[C@@H](N2CCOCC2)C1	ZINC000173771333	258310241	/nfs/dbraw/zinc/31/02/41/258310241.db2.gz	XOFSLUXTJRSTCB-GOSISDBHSA-N	0	0	374.510	1.908	10	30		FDEERN
Cn1c(NC[C@@H]2C[C@]23CCCc2ccccc23)c(C#N)c(=O)n(C)c1=O	ZINC000301659599	259031679	/nfs/dbraw/zinc/03/16/79/259031679.db2.gz	TVLJGUVKUOQCPR-VBKZILBWSA-N	0	0	350.422	1.662	10	30		FDEERN
Cc1ccc(S(=O)(=O)O[C@@H]2CO[C@@H]3[C@H]4OC(C)(C)O[C@H]4O[C@H]23)cc1	ZINC000017163743	518778215	/nfs/dbraw/zinc/77/82/15/518778215.db2.gz	DQNGKHMEUWAYEM-UXXRCYHCSA-N	0	0	356.396	1.344	10	30		FDEERN
Cc1nn(C[C@@H](O)COCc2ccc3c(c2)OCO3)c(=O)c(C#N)c1C	ZINC000028915617	519257072	/nfs/dbraw/zinc/25/70/72/519257072.db2.gz	ZDABHZIQWBQNBD-CQSZACIVSA-N	0	0	357.366	1.038	10	30		FDEERN
CN(CC#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000072072260	522150224	/nfs/dbraw/zinc/15/02/24/522150224.db2.gz	PQFOZEMXFXAPMA-GFCCVEGCSA-N	0	0	355.847	1.723	10	30		FDEERN
CNN=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@H](O)c1ccccc1	ZINC000048553269	522747257	/nfs/dbraw/zinc/74/72/57/522747257.db2.gz	KFPLRVSBMBGUNZ-QAIWHXNASA-N	0	0	353.338	1.901	10	30		FDEERN
Cc1cc(N2CCN(CCOc3cccc(C#N)c3)CC2)n2ncnc2n1	ZINC000076911819	523203176	/nfs/dbraw/zinc/20/31/76/523203176.db2.gz	PXJRPZNVMMFVMZ-UHFFFAOYSA-N	0	0	363.425	1.505	10	30		FDEERN
COc1ccc(CCNC(=O)C(=O)c2cccn2CCC#N)cc1OC	ZINC000002577615	523954623	/nfs/dbraw/zinc/95/46/23/523954623.db2.gz	ZXDTXEQGFSIRFI-UHFFFAOYSA-N	0	0	355.394	1.961	10	30		FDEERN
N#Cc1cc(S(=O)(=O)N2CCO[C@H](c3nccs3)C2)ccc1F	ZINC000111343577	524265779	/nfs/dbraw/zinc/26/57/79/524265779.db2.gz	IPYYZYPWJYELIJ-ZDUSSCGKSA-N	0	0	353.400	1.916	10	30		FDEERN
CCc1nnc([C@H]2CN(C(=O)NCc3ccc(C#N)cc3F)CCO2)[nH]1	ZINC000139045657	524271408	/nfs/dbraw/zinc/27/14/08/524271408.db2.gz	VFILLIVXQOOAGN-CQSZACIVSA-N	0	0	358.377	1.661	10	30		FDEERN
CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CCN1C[C@@H](C)O	ZINC000122734472	524604540	/nfs/dbraw/zinc/60/45/40/524604540.db2.gz	AQYRXWVTUZWKLL-IUODEOHRSA-N	0	0	371.890	1.677	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)Cc3ccc(C#N)cc3)C2=O)n(C)n1	ZINC000174977901	524819271	/nfs/dbraw/zinc/81/92/71/524819271.db2.gz	DMCGBPYTZYQNIM-INIZCTEOSA-N	0	0	351.410	1.455	10	30		FDEERN
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCO[C@H](Cn2cccn2)C1	ZINC000124892119	525102209	/nfs/dbraw/zinc/10/22/09/525102209.db2.gz	RVWCYHPGUFSUMM-KRWDZBQOSA-N	0	0	354.410	1.840	10	30		FDEERN
Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)cn1	ZINC000116228920	525119477	/nfs/dbraw/zinc/11/94/77/525119477.db2.gz	XQSCBRKFCIDXEM-LBPRGKRZSA-N	0	0	357.801	1.900	10	30		FDEERN
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C#N)C1CCCCC1	ZINC000126257089	525289810	/nfs/dbraw/zinc/28/98/10/525289810.db2.gz	DKYAGHJRSBPCAL-SWLSCSKDSA-N	0	0	374.466	1.702	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2CCN(Cc3cnc(C)s3)CC2)c1	ZINC000177599320	525317512	/nfs/dbraw/zinc/31/75/12/525317512.db2.gz	NQRNKTKWVFTHNI-UHFFFAOYSA-N	0	0	368.462	1.716	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(c2cc(C)nc3ncnn32)CC1	ZINC000126724612	525345470	/nfs/dbraw/zinc/34/54/70/525345470.db2.gz	BUYXUSSTEDMPFE-MRXNPFEDSA-N	0	0	369.473	1.144	10	30		FDEERN
CCc1noc([C@H](C)N2CCN(CC(=O)Nc3sccc3C#N)CC2)n1	ZINC000106138387	525627788	/nfs/dbraw/zinc/62/77/88/525627788.db2.gz	LYRIKEAIOFLRQK-LBPRGKRZSA-N	0	0	374.470	1.882	10	30		FDEERN
CCOc1cc(C)nc(N2CCN(C(=O)c3ccc(C#N)cn3)CC2)n1	ZINC000107596307	525898064	/nfs/dbraw/zinc/89/80/64/525898064.db2.gz	LFANMFRKMLVJMT-UHFFFAOYSA-N	0	0	352.398	1.413	10	30		FDEERN
Cn1cc(CN2CCCN(C(=O)c3ccccc3OCC#N)CC2)cn1	ZINC000109658500	526156500	/nfs/dbraw/zinc/15/65/00/526156500.db2.gz	ZXJMTPRYZRVEBE-UHFFFAOYSA-N	0	0	353.426	1.671	10	30		FDEERN
N#Cc1cccc(CS(=O)(=O)N2CC[C@@](O)(c3nc(C4CC4)no3)C2)c1	ZINC000275306653	526712023	/nfs/dbraw/zinc/71/20/23/526712023.db2.gz	NJLBOZWNIHFQCG-KRWDZBQOSA-N	0	0	374.422	1.242	10	30		FDEERN
Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(F)cc2C#N)n1	ZINC000186347432	536232854	/nfs/dbraw/zinc/23/28/54/536232854.db2.gz	ZRGKFJOZBZKULM-GFCCVEGCSA-N	0	0	352.347	1.151	10	30		FDEERN
C=C[C@@](C)(CCOC)C(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1	ZINC000187965919	536279121	/nfs/dbraw/zinc/27/91/21/536279121.db2.gz	ZRHPOAKVNRLRAZ-IBGZPJMESA-N	0	0	372.473	1.549	10	30		FDEERN
CCn1cc([C@H]2CN(S(=O)(=O)c3ccc(F)c(C#N)c3)CCO2)cn1	ZINC000189232237	537015117	/nfs/dbraw/zinc/01/51/17/537015117.db2.gz	OJMGLZXXMOGNLM-MRXNPFEDSA-N	0	0	364.402	1.676	10	30		FDEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)Nc2oc(C)c(C)c2C#N)C1	ZINC000189316139	537027816	/nfs/dbraw/zinc/02/78/16/537027816.db2.gz	QMTDADQLGFAEAS-GXTWGEPZSA-N	0	0	359.386	1.860	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1	ZINC000263501374	537039965	/nfs/dbraw/zinc/03/99/65/537039965.db2.gz	VPPPVOACRMFUIQ-CPFNUKBASA-N	0	0	370.453	1.873	10	30		FDEERN
COCCN1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H]1C	ZINC000247585882	537137993	/nfs/dbraw/zinc/13/79/93/537137993.db2.gz	IZEVXBIFONNCNH-AGYKMIKPSA-N	0	0	364.534	1.958	10	30		FDEERN
C=C[C@](C)(O)[C@H](O)C[C@@H]1[C@](C)(O)[C@H](O)[C@H](O)[C@@H]2C(C)(C)CCC[C@@]21C	ZINC000248045466	537164584	/nfs/dbraw/zinc/16/45/84/537164584.db2.gz	WQGJQTTYXPLSSA-XZWYZKRPSA-N	0	0	356.503	1.610	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)c1	ZINC000190512328	537175986	/nfs/dbraw/zinc/17/59/86/537175986.db2.gz	KUQRYUUVWRAGAX-QGZVFWFLSA-N	0	0	352.394	1.423	10	30		FDEERN
Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2c(F)cc(C#N)cc2F)n1	ZINC000328624444	571324663	/nfs/dbraw/zinc/32/46/63/571324663.db2.gz	JWWKGQOHPQLTTI-JOYOIKCWSA-N	0	0	370.337	1.025	10	30		FDEERN
Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)COc1cccc(C#N)c1	ZINC000913092064	861358026	/nfs/dbraw/zinc/35/80/26/861358026.db2.gz	ZULUFZHFASXFEC-VQIMIIECSA-N	0	0	354.410	1.934	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)[C@H](O)C1	ZINC000702807056	884230386	/nfs/dbraw/zinc/23/03/86/884230386.db2.gz	NPCYQUPYZUHDHX-DGCLKSJQSA-N	0	0	363.374	1.501	10	30		FDEERN
CCn1cc([C@H]2CN(C(=O)CNC(=O)c3ccc(C#N)cc3)CCO2)cn1	ZINC000191792882	178070194	/nfs/dbraw/zinc/07/01/94/178070194.db2.gz	BJUNWUGWCYQBFD-QGZVFWFLSA-N	0	0	367.409	1.105	10	30		FDEERN
Cc1cnn(CCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000192331531	178109910	/nfs/dbraw/zinc/10/99/10/178109910.db2.gz	NJBLSHFFFOGMJN-QGZVFWFLSA-N	0	0	366.425	1.164	10	30		FDEERN
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1	ZINC000193057097	178145331	/nfs/dbraw/zinc/14/53/31/178145331.db2.gz	QOMMAPXPSQHCJU-AWEZNQCLSA-N	0	0	369.429	1.508	10	30		FDEERN
CC[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCN1CCOC	ZINC000125529217	258261809	/nfs/dbraw/zinc/26/18/09/258261809.db2.gz	BTTNYKXONWMAIR-ZDUSSCGKSA-N	0	0	373.425	1.568	10	30		FDEERN
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@]2(O)CCc3ccccc32)n1	ZINC000091251557	172282313	/nfs/dbraw/zinc/28/23/13/172282313.db2.gz	SRVQNEQQMWPORU-LJQANCHMSA-N	0	0	367.409	1.224	10	30		FDEERN
Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)no1	ZINC000177593428	174142810	/nfs/dbraw/zinc/14/28/10/174142810.db2.gz	ARDYGTYOJHXZED-CQSZACIVSA-N	0	0	353.382	1.670	10	30		FDEERN
CCc1nnc([C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3C)CCO2)[nH]1	ZINC000173738053	258308706	/nfs/dbraw/zinc/30/87/06/258308706.db2.gz	OACMSCFXRGGZKJ-CYBMUJFWSA-N	0	0	361.427	1.309	10	30		FDEERN
CCc1nnc(NCCCN2CCS(=O)(=O)CC2)c(C#N)c1CC	ZINC000302049623	259038136	/nfs/dbraw/zinc/03/81/36/259038136.db2.gz	ZRNMGESNRNKFSZ-UHFFFAOYSA-N	0	0	351.476	1.005	10	30		FDEERN
N#CCc1ccc(NC(=O)C(=O)NC2CCN(c3ccccn3)CC2)cc1	ZINC000062207602	522515176	/nfs/dbraw/zinc/51/51/76/522515176.db2.gz	ZEYZMGPPGSRVTM-UHFFFAOYSA-N	0	0	363.421	1.871	10	30		FDEERN
C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(c2ncccn2)C1	ZINC000066289605	523007544	/nfs/dbraw/zinc/00/75/44/523007544.db2.gz	LKLUYTBZQMJIIW-HNNXBMFYSA-N	0	0	363.421	1.695	10	30		FDEERN
COCCN1C2=C(C(=O)c3ccccc3C2=O)N(Cc2cnccn2)[C@@H]1C	ZINC000052509379	523189386	/nfs/dbraw/zinc/18/93/86/523189386.db2.gz	CJZJWYDXFXAJPQ-CYBMUJFWSA-N	0	0	364.405	1.877	10	30		FDEERN
O=C(C#Cc1ccc2c(c1)OCO2)N1CCCN(c2cccnn2)CC1	ZINC000136759481	524212904	/nfs/dbraw/zinc/21/29/04/524212904.db2.gz	CERCQVFWBHOXPQ-UHFFFAOYSA-N	0	0	350.378	1.296	10	30		FDEERN
C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCn3nc(CC)nc32)c1	ZINC000088817082	524474521	/nfs/dbraw/zinc/47/45/21/524474521.db2.gz	RJSFHRGFWZFELY-OAHLLOKOSA-N	0	0	369.425	1.995	10	30		FDEERN
CCc1nnc([C@H]2CN(S(=O)(=O)c3cccc(C)c3C#N)CCO2)[nH]1	ZINC000123112817	524684113	/nfs/dbraw/zinc/68/41/13/524684113.db2.gz	VGNUOKLIDSTFMB-CYBMUJFWSA-N	0	0	361.427	1.309	10	30		FDEERN
CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000151942042	524733350	/nfs/dbraw/zinc/73/33/50/524733350.db2.gz	URFCGAQVDOEJTE-CQSZACIVSA-N	0	0	353.419	1.767	10	30		FDEERN
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161071196	525026963	/nfs/dbraw/zinc/02/69/63/525026963.db2.gz	NYABSKRRUUSPMM-MRXNPFEDSA-N	0	0	354.414	1.323	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1	ZINC000177535971	525307426	/nfs/dbraw/zinc/30/74/26/525307426.db2.gz	AFZYAJLPOHOPPP-HUUCEWRRSA-N	0	0	360.458	1.521	10	30		FDEERN
COCCN1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@@H]1C	ZINC000117294865	525309234	/nfs/dbraw/zinc/30/92/34/525309234.db2.gz	CJOIXQXDJSFSTH-AWEZNQCLSA-N	0	0	368.441	1.119	10	30		FDEERN
N#CCCN(C(=O)CN1CCCN(c2cccnn2)CC1)c1ccccc1	ZINC000106071143	525562257	/nfs/dbraw/zinc/56/22/57/525562257.db2.gz	MSTISVDMRZYHNO-UHFFFAOYSA-N	0	0	364.453	1.936	10	30		FDEERN
CC[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCN1C[C@@H](C)O	ZINC000128618292	525562398	/nfs/dbraw/zinc/56/23/98/525562398.db2.gz	IBYSAVGNCFTGEK-NVXWUHKLSA-N	0	0	365.499	1.109	10	30		FDEERN
COCCN1CCN(CC(=O)Nc2ccccc2SCC#N)C[C@H]1C	ZINC000106108592	525601078	/nfs/dbraw/zinc/60/10/78/525601078.db2.gz	MSCNQCRUCGCSEO-OAHLLOKOSA-N	0	0	362.499	1.893	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(CC(=O)Nc3sccc3C#N)CC2)n1	ZINC000106133318	525622893	/nfs/dbraw/zinc/62/28/93/525622893.db2.gz	CBNUGXWUVMTQSZ-NSHDSACASA-N	0	0	360.443	1.629	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1	ZINC000106142531	525629636	/nfs/dbraw/zinc/62/96/36/525629636.db2.gz	PFASKHANQGCFDA-SFHVURJKSA-N	0	0	359.518	1.744	10	30		FDEERN
CCOc1ccnc(N2CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC2)n1	ZINC000106152219	525634581	/nfs/dbraw/zinc/63/45/81/525634581.db2.gz	RHXWGCBMAYKCPS-HNNXBMFYSA-N	0	0	360.462	1.005	10	30		FDEERN
CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccn(CCC#N)n2)C12CCCC2	ZINC000119108774	525638442	/nfs/dbraw/zinc/63/84/42/525638442.db2.gz	SBZSSAWDSIGQLS-HUUCEWRRSA-N	0	0	373.457	1.931	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(CC(=O)Nc3oc(C)c(C)c3C#N)CCO2)c1	ZINC000106196251	525666187	/nfs/dbraw/zinc/66/61/87/525666187.db2.gz	RHMANBWPIFWWEY-HNNXBMFYSA-N	0	0	357.414	1.613	10	30		FDEERN
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000181725354	525908432	/nfs/dbraw/zinc/90/84/32/525908432.db2.gz	JWBIZYREDKXYKX-CQSZACIVSA-N	0	0	359.455	1.875	10	30		FDEERN
Cc1ccc(N2CCCN(C(=O)COc3ccccc3C#N)CC2)nn1	ZINC000109635991	526144836	/nfs/dbraw/zinc/14/48/36/526144836.db2.gz	AVVQGCMFCHCENP-UHFFFAOYSA-N	0	0	351.410	1.774	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)NCc3ccc(OCC#N)cc3)CCO2)c1	ZINC000171842411	526146649	/nfs/dbraw/zinc/14/66/49/526146649.db2.gz	PSLVOCSPPWMTED-SFHVURJKSA-N	0	0	369.425	1.705	10	30		FDEERN
Cc1cnn([C@H]2CCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)c1	ZINC000109681122	526163383	/nfs/dbraw/zinc/16/33/83/526163383.db2.gz	QEOKWGQHKVBXAM-KRWDZBQOSA-N	0	0	351.410	1.657	10	30		FDEERN
N#CC1(CS(=O)(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)CC1	ZINC000328631026	526433591	/nfs/dbraw/zinc/43/35/91/526433591.db2.gz	QLYWRXKLUFFDPA-JTQLQIEISA-N	0	0	362.377	1.687	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c1	ZINC000263452424	537033197	/nfs/dbraw/zinc/03/31/97/537033197.db2.gz	AZQREEDEUVSHJS-UHFFFAOYSA-N	0	0	363.439	1.164	10	30		FDEERN
COCc1nc2n(n1)CCC[C@H]2NC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000189422311	537043908	/nfs/dbraw/zinc/04/39/08/537043908.db2.gz	HGLMBCHYRKWKBZ-OAHLLOKOSA-N	0	0	351.410	1.979	10	30		FDEERN
C[C@@H](C#N)CNC(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000190152461	537147265	/nfs/dbraw/zinc/14/72/65/537147265.db2.gz	HNFSLCGSEYSTHI-GJZGRUSLSA-N	0	0	352.479	1.984	10	30		FDEERN
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCO[C@@H](Cn2cccn2)C1	ZINC000247741364	537148081	/nfs/dbraw/zinc/14/80/81/537148081.db2.gz	NSVUGRWMOUBZID-SFANZJOMSA-N	0	0	373.501	1.903	10	30		FDEERN
CCn1cc([C@@H]2CN(C(=O)Cc3ccc(OCC#N)cc3)CCO2)cn1	ZINC000191762311	537211977	/nfs/dbraw/zinc/21/19/77/537211977.db2.gz	MEOCWPAYQMHBDO-SFHVURJKSA-N	0	0	354.410	1.948	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1	ZINC000245422728	537658456	/nfs/dbraw/zinc/65/84/56/537658456.db2.gz	AFZYAJLPOHOPPP-GJZGRUSLSA-N	0	0	360.458	1.521	10	30		FDEERN
N#C[C@H]1CCC[C@H]1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O	ZINC000467077353	538604559	/nfs/dbraw/zinc/60/45/59/538604559.db2.gz	ADNAQVCSPSLLGK-IUODEOHRSA-N	0	0	361.423	1.284	10	30		FDEERN
COC1(c2nc(-c3ccccn3)no2)CCN(c2nccnc2C#N)CC1	ZINC000568301510	548484556	/nfs/dbraw/zinc/48/45/56/548484556.db2.gz	JKXYBEPXZCUIJU-UHFFFAOYSA-N	0	0	363.381	1.935	10	30		FDEERN
Cc1cn2nc(N[C@H]3CCN(C(=O)c4sccc4C#N)C3)ccc2n1	ZINC000582563241	551242146	/nfs/dbraw/zinc/24/21/46/551242146.db2.gz	OQHUTYRDFNAUCC-ZDUSSCGKSA-N	0	0	352.423	2.298	10	30		FDEERN
COCCN1C(=O)C[C@@H](CNc2ncccc2C#N)[C@@H]1c1cnn(C)c1	ZINC000275239607	570708312	/nfs/dbraw/zinc/70/83/12/570708312.db2.gz	FIUUPQDGOCYQQO-WMLDXEAASA-N	0	0	354.414	1.335	10	30		FDEERN
Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)c1=O	ZINC000328637270	571325627	/nfs/dbraw/zinc/32/56/27/571325627.db2.gz	ONPFJPRKGXZILR-HRCADAONSA-N	0	0	353.426	1.904	10	30		FDEERN
C[C@@H](O)CN1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C	ZINC000188180663	672290936	/nfs/dbraw/zinc/29/09/36/672290936.db2.gz	SWCIBFUHHSEFTP-UONOGXRCSA-N	0	0	354.372	1.970	10	30		FDEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN3CCCC[C@H]3C2)c1	ZINC000195044080	672393290	/nfs/dbraw/zinc/39/32/90/672393290.db2.gz	JODVLKZDXDDSMP-INIZCTEOSA-N	0	0	363.483	1.461	10	30		FDEERN
C#CCNC(=O)CNc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl	ZINC000302698188	676541440	/nfs/dbraw/zinc/54/14/40/676541440.db2.gz	AMXFZOADSMAWIP-UHFFFAOYSA-N	0	0	351.193	1.701	10	30		FDEERN
N#Cc1ccc(NCC[C@H]2CNCCS2(=O)=O)c(Br)c1	ZINC000721811514	820558320	/nfs/dbraw/zinc/55/83/20/820558320.db2.gz	FEMHYEXTAFMRDN-NSHDSACASA-N	0	0	358.261	1.509	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2ncc(C#N)cc2[N+](=O)[O-])C1	ZINC000702807034	884229771	/nfs/dbraw/zinc/22/97/71/884229771.db2.gz	NEYGAVKTXUMPOZ-YPMHNXCESA-N	0	0	363.374	1.501	10	30		FDEERN
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O)c(O)c2)cc1[N+](=O)[O-]	ZINC000004979915	219633176	/nfs/dbraw/zinc/63/31/76/219633176.db2.gz	QRDYBYWRCSIWEK-OVCLIPMQSA-N	0	0	351.340	1.627	10	30		FDEERN
CCNC(=O)CCOc1c(N)cc(C#N)cc1I	ZINC000051756616	221036800	/nfs/dbraw/zinc/03/68/00/221036800.db2.gz	UBGMHZYOEAWJGM-UHFFFAOYSA-N	0	0	359.167	1.650	10	30		FDEERN
C[C@@H]1CN(C2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)CCO1	ZINC000075791273	172095790	/nfs/dbraw/zinc/09/57/90/172095790.db2.gz	PBZYPOYBYQQSQQ-OAHLLOKOSA-N	0	0	363.483	1.573	10	30		FDEERN
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)n1	ZINC000091249358	172282086	/nfs/dbraw/zinc/28/20/86/172282086.db2.gz	GJVPGLSZPHVJLT-IFXJQAMLSA-N	0	0	373.457	1.602	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1N1CCOCC1	ZINC000125859656	173020990	/nfs/dbraw/zinc/02/09/90/173020990.db2.gz	MPICTOVTVQTLDB-WFASDCNBSA-N	0	0	369.874	1.553	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1N1CCOCC1	ZINC000125859491	173021404	/nfs/dbraw/zinc/02/14/04/173021404.db2.gz	MPICTOVTVQTLDB-DOMZBBRYSA-N	0	0	369.874	1.553	10	30		FDEERN
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1	ZINC000135807468	173353455	/nfs/dbraw/zinc/35/34/55/173353455.db2.gz	VGXCEFRJIOYMOK-QGZVFWFLSA-N	0	0	350.378	1.363	10	30		FDEERN
CCCn1cc(CN2CCCN(C(=O)c3cc(C#N)cn3C)CC2)cn1	ZINC000176011714	174043937	/nfs/dbraw/zinc/04/39/37/174043937.db2.gz	IFESTHUYCGCYEM-UHFFFAOYSA-N	0	0	354.458	1.851	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1N1CCOCC1	ZINC000176990879	174099021	/nfs/dbraw/zinc/09/90/21/174099021.db2.gz	XULABKOIVXGZNU-LRDDRELGSA-N	0	0	369.874	1.553	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)NC2(c3noc(C4CC4)n3)CCCC2)cn1	ZINC000177585317	174142854	/nfs/dbraw/zinc/14/28/54/174142854.db2.gz	AAAXNQYJZCQQDA-UHFFFAOYSA-N	0	0	359.411	1.961	10	30		FDEERN
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C)c2C#N)CCN1C[C@@H](C)O	ZINC000177616619	174144959	/nfs/dbraw/zinc/14/49/59/174144959.db2.gz	RETRYXXMSDTDSR-CABCVRRESA-N	0	0	358.442	1.109	10	30		FDEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3)C2)n1	ZINC000177645890	174147109	/nfs/dbraw/zinc/14/71/09/174147109.db2.gz	QKSKNEKEGMQFFL-MRXNPFEDSA-N	0	0	366.425	1.644	10	30		FDEERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000178522023	174192715	/nfs/dbraw/zinc/19/27/15/174192715.db2.gz	DNXJQAXDOXRKOU-CQSZACIVSA-N	0	0	352.398	1.610	10	30		FDEERN
Cc1nnc([C@H]2CN(CC(=O)Nc3cc(Cl)ccc3C#N)CCO2)[nH]1	ZINC000173661855	258306383	/nfs/dbraw/zinc/30/63/83/258306383.db2.gz	GNJRKUIHSXJMFC-CQSZACIVSA-N	0	0	360.805	1.650	10	30		FDEERN
Cn1c(Nc2ccc(Cl)c(C[S@@](C)=O)c2)c(C#N)c(=O)n(C)c1=O	ZINC000301304924	259025611	/nfs/dbraw/zinc/02/56/11/259025611.db2.gz	TXQJPZIDSXPALC-XMMPIXPASA-N	0	0	366.830	1.231	10	30		FDEERN
NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1NC(=O)c1c[nH]c2ccccc12	ZINC000003281710	518262864	/nfs/dbraw/zinc/26/28/64/518262864.db2.gz	NPRQDGMWFUYNAR-UHFFFAOYSA-N	0	0	372.388	1.901	10	30		FDEERN
CN(C)/C=c1/sc2c(C#N)cc(C(=O)c3ccc([N+](=O)[O-])cc3)n2c1=O	ZINC000003290351	518263075	/nfs/dbraw/zinc/26/30/75/518263075.db2.gz	ZIFJIKMSAQWQSQ-NTEUORMPSA-N	0	0	368.374	1.390	10	30		FDEERN
N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)N3CCCC3)C2)c(F)c1	ZINC000068941395	521765687	/nfs/dbraw/zinc/76/56/87/521765687.db2.gz	RMKHVOGVDHDXMU-AWEZNQCLSA-N	0	0	352.435	1.596	10	30		FDEERN
N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2COc3ccccc32)cc1	ZINC000058729034	522290745	/nfs/dbraw/zinc/29/07/45/522290745.db2.gz	ZIPNGMXDTVPSDC-MRXNPFEDSA-N	0	0	356.403	1.723	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)CC2	ZINC000172026886	524097340	/nfs/dbraw/zinc/09/73/40/524097340.db2.gz	WSVDQMCSVGZLFQ-AWEZNQCLSA-N	0	0	354.414	1.557	10	30		FDEERN
N#CCOc1ccc(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1	ZINC000135264489	524124696	/nfs/dbraw/zinc/12/46/96/524124696.db2.gz	MNCKCVFOYWDQLH-MRXNPFEDSA-N	0	0	351.410	1.707	10	30		FDEERN
CNc1cc(N2CCC[C@H]2CNC(=O)COc2ccccc2C#N)ncn1	ZINC000173443743	524392596	/nfs/dbraw/zinc/39/25/96/524392596.db2.gz	KNGYJXPBORPZRT-HNNXBMFYSA-N	0	0	366.425	1.554	10	30		FDEERN
C=C(C)COCCNC(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1	ZINC000151547333	524609943	/nfs/dbraw/zinc/60/99/43/524609943.db2.gz	OBAMRBAOIWDNGS-CQSZACIVSA-N	0	0	351.451	1.613	10	30		FDEERN
Cc1noc([C@H]2COCCN2Cc2nnc(-c3ccc(C#N)cc3)o2)n1	ZINC000161003609	525014475	/nfs/dbraw/zinc/01/44/75/525014475.db2.gz	FYBVFQOZXPQLJZ-CQSZACIVSA-N	0	0	352.354	1.873	10	30		FDEERN
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(C#N)c2)CN1Cc1ccco1	ZINC000095382919	525058489	/nfs/dbraw/zinc/05/84/89/525058489.db2.gz	ZANQZOIGIDILRY-WMZOPIPTSA-N	0	0	366.421	1.660	10	30		FDEERN
Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1	ZINC000116899723	525247295	/nfs/dbraw/zinc/24/72/95/525247295.db2.gz	DYXKWOQCEHLEHZ-INIZCTEOSA-N	0	0	359.455	1.868	10	30		FDEERN
CCOCCN1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C[C@H]1C	ZINC000117281582	525301542	/nfs/dbraw/zinc/30/15/42/525301542.db2.gz	KBHBLPRHRQHCHT-CQSZACIVSA-N	0	0	374.485	1.365	10	30		FDEERN
CN(c1cccnn1)C1CCN(CC(=O)N(CCC#N)CCC#N)CC1	ZINC000106083072	525570698	/nfs/dbraw/zinc/57/06/98/525570698.db2.gz	KOIPZBCAGMGVBW-UHFFFAOYSA-N	0	0	355.446	1.033	10	30		FDEERN
C=CCNC(=O)[C@@H](C)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1	ZINC000106141430	525628042	/nfs/dbraw/zinc/62/80/42/525628042.db2.gz	NPXUYDUYXBGSBI-QGZVFWFLSA-N	0	0	353.470	1.681	10	30		FDEERN
C=CCNC(=O)CNC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1	ZINC000180522740	525717107	/nfs/dbraw/zinc/71/71/07/525717107.db2.gz	BAUNPVGTBDGREX-CQSZACIVSA-N	0	0	366.487	1.031	10	30		FDEERN
CN1CCO[C@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1	ZINC000170924635	525773041	/nfs/dbraw/zinc/77/30/41/525773041.db2.gz	XEJPVLCHTZYKMP-QGZVFWFLSA-N	0	0	357.458	1.111	10	30		FDEERN
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1	ZINC000119561813	525788350	/nfs/dbraw/zinc/78/83/50/525788350.db2.gz	XFRIJDBIKSVADX-OAHLLOKOSA-N	0	0	351.410	1.453	10	30		FDEERN
COC(=O)[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1	ZINC000171466550	526004989	/nfs/dbraw/zinc/00/49/89/526004989.db2.gz	YSJSELFQWQUKCB-CQSZACIVSA-N	0	0	369.425	1.562	10	30		FDEERN
COc1cc(C#N)ccc1CN1CCN(c2cc(C)nc3ncnn32)CC1	ZINC000120854448	526201426	/nfs/dbraw/zinc/20/14/26/526201426.db2.gz	AFLCBCXHJJCKQO-UHFFFAOYSA-N	0	0	363.425	1.635	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CC[C@](O)(c3nc(C4CC4)no3)C2)cc1	ZINC000275349661	526682753	/nfs/dbraw/zinc/68/27/53/526682753.db2.gz	TVXFOOOUTHDPMX-MRXNPFEDSA-N	0	0	360.395	1.101	10	30		FDEERN
Cc1noc([C@H]2COCCN2S(=O)(=O)c2c(F)cc(C#N)cc2F)n1	ZINC000183748922	536043087	/nfs/dbraw/zinc/04/30/87/536043087.db2.gz	NQLFLPLRTVOABI-GFCCVEGCSA-N	0	0	370.337	1.290	10	30		FDEERN
CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)C12CCOCC2	ZINC000185149165	536200267	/nfs/dbraw/zinc/20/02/67/536200267.db2.gz	WDZPPQRRPOPFJH-JKSUJKDBSA-N	0	0	368.430	1.950	10	30		FDEERN
Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C[C@H](O)C[C@@H]2CO)c1C#N	ZINC000185191539	536201838	/nfs/dbraw/zinc/20/18/38/536201838.db2.gz	UDYRQBKLFLSRSA-IAGOWNOFSA-N	0	0	368.437	1.332	10	30		FDEERN
C=CC[C@H](CO)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21	ZINC000185939199	536222274	/nfs/dbraw/zinc/22/22/74/536222274.db2.gz	NWBZKWMBBKRNIA-MLGOLLRUSA-N	0	0	359.451	1.736	10	30		FDEERN
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1	ZINC000262958245	536947786	/nfs/dbraw/zinc/94/77/86/536947786.db2.gz	JVYSAUSBHIJACA-OAHLLOKOSA-N	0	0	365.455	1.426	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@H]1CCCN(C(=O)NCc2ccoc2)CC1	ZINC000328631512	571136989	/nfs/dbraw/zinc/13/69/89/571136989.db2.gz	KNJFBMQYGJSYKC-HNNXBMFYSA-N	0	0	358.446	2.052	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)cc1Cl	ZINC000328628348	571324990	/nfs/dbraw/zinc/32/49/90/571324990.db2.gz	NQRSHBJYTVCPBW-NSHDSACASA-N	0	0	350.831	1.949	10	30		FDEERN
Cc1c([C@H]2OCC[C@@H]2NC(=O)Cn2nc3ccccn3c2=O)cnn1C	ZINC000330282889	571327957	/nfs/dbraw/zinc/32/79/57/571327957.db2.gz	VRZSTTHMDKICPI-XJKSGUPXSA-N	0	0	356.386	1.025	10	30		FDEERN
C=C(Br)CNC(=O)N1CCCN(Cc2noc(C)n2)CC1	ZINC000174376478	672093433	/nfs/dbraw/zinc/09/34/33/672093433.db2.gz	JFNWHCDPVGETMK-UHFFFAOYSA-N	0	0	358.240	1.504	10	30		FDEERN
C=CCO[C@H]1CCN(c2ncc(C(=O)N3CCOCC3)cc2Cl)C1	ZINC000302191491	676541106	/nfs/dbraw/zinc/54/11/06/676541106.db2.gz	VVGZFNUISMUUNM-AWEZNQCLSA-N	0	0	351.834	1.989	10	30		FDEERN
C=CCn1c2nnc(SCC(=O)N[C@H]3C[C@@H]3C)n2c2ccccc2c1=O	ZINC000171070413	222613827	/nfs/dbraw/zinc/61/38/27/222613827.db2.gz	ICWAPBQPMFKPLH-AAEUAGOBSA-N	0	0	369.450	1.847	10	30		FDEERN
CCCC(=O)N[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000081513051	172190678	/nfs/dbraw/zinc/19/06/78/172190678.db2.gz	CJODHYPKFBUOFK-MRXNPFEDSA-N	0	0	363.483	1.713	10	30		FDEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCOc1ccc(C#N)cc1	ZINC000087126223	172225768	/nfs/dbraw/zinc/22/57/68/172225768.db2.gz	MRAZRRXXMCYWCT-HNNXBMFYSA-N	0	0	354.414	1.925	10	30		FDEERN
Cc1nnc([C@@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CCO2)[nH]1	ZINC000164064510	173803531	/nfs/dbraw/zinc/80/35/31/173803531.db2.gz	USMKKVQSUKYFAH-HNNXBMFYSA-N	0	0	355.398	1.742	10	30		FDEERN
Cc1cnn(C[C@H]2CN(CCS(=O)(=O)c3ccc(C#N)cc3)CCO2)c1	ZINC000176234120	174060257	/nfs/dbraw/zinc/06/02/57/174060257.db2.gz	QZCOBIAAUJWCDW-QGZVFWFLSA-N	0	0	374.466	1.238	10	30		FDEERN
CC(C)Nc1ncnc2c1ncn2CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000176885517	174091871	/nfs/dbraw/zinc/09/18/71/174091871.db2.gz	OYPDCYPNRFDWLZ-UHFFFAOYSA-N	0	0	370.438	1.992	10	30		FDEERN
N#Cc1cc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)ccc1Cl	ZINC000177653805	174147636	/nfs/dbraw/zinc/14/76/36/174147636.db2.gz	RNGOLIUOYKTDJM-CQSZACIVSA-N	0	0	373.800	1.274	10	30		FDEERN
CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C)CCO2)[nH]1	ZINC000173738005	258309116	/nfs/dbraw/zinc/30/91/16/258309116.db2.gz	IFBICLRBSFITRS-ZDUSSCGKSA-N	0	0	361.427	1.309	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc(C#N)cc3)C2=O)n(C)n1	ZINC000174040712	258317939	/nfs/dbraw/zinc/31/79/39/258317939.db2.gz	GKGFMYRRBJFPEP-OAHLLOKOSA-N	0	0	373.438	1.074	10	30		FDEERN
CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)CC2	ZINC000184730083	258383601	/nfs/dbraw/zinc/38/36/01/258383601.db2.gz	WKDMASWFKJVUMA-NSHDSACASA-N	0	0	365.846	1.659	10	30		FDEERN
N#Cc1cccc([C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)CCO2)c1	ZINC000330126003	259127974	/nfs/dbraw/zinc/12/79/74/259127974.db2.gz	CSECLWMFHUTEJK-WBVHZDCISA-N	0	0	353.382	1.325	10	30		FDEERN
CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(C#N)cc1	ZINC000005504533	518346347	/nfs/dbraw/zinc/34/63/47/518346347.db2.gz	YTPBUJZXEWXHCW-VCHYOVAHSA-N	0	0	359.367	1.950	10	30		FDEERN
C=CCN1C(=O)[C@]2(c3ccccc3-c3oc(N)nc32)C(C(=O)OC)=C1C	ZINC000020569063	518849007	/nfs/dbraw/zinc/84/90/07/518849007.db2.gz	SZMLNMWQVXDOCH-LJQANCHMSA-N	0	0	351.362	1.999	10	30		FDEERN
CN(C)C(=O)[C@@H]1C[C@@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000032098677	519483162	/nfs/dbraw/zinc/48/31/62/519483162.db2.gz	VGLBNJWGUYQZHD-OLZOCXBDSA-N	0	0	353.400	1.692	10	30		FDEERN
Cc1noc([C@H](C)N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)n1	ZINC000110896762	524156929	/nfs/dbraw/zinc/15/69/29/524156929.db2.gz	CCQOPOQEXSPSFG-AWEZNQCLSA-N	0	0	369.425	1.728	10	30		FDEERN
CN1CCO[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000156924464	524176918	/nfs/dbraw/zinc/17/69/18/524176918.db2.gz	GKMLJJSDCBNFKN-LBPRGKRZSA-N	0	0	363.361	1.186	10	30		FDEERN
N#Cc1ccc(CCC(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1	ZINC000136423523	524198716	/nfs/dbraw/zinc/19/87/16/524198716.db2.gz	AKDXUFCEPWMZAF-UHFFFAOYSA-N	0	0	361.409	1.277	10	30		FDEERN
COc1ccc([C@H](CCOS(C)(=O)=O)COS(C)(=O)=O)cc1	ZINC000137600977	524242220	/nfs/dbraw/zinc/24/22/20/524242220.db2.gz	MYXRTZQYPMJQAL-GFCCVEGCSA-N	0	0	352.430	1.121	10	30		FDEERN
Cc1nc(CN2CCCN(C(=O)NCc3cccc(C#N)c3)CC2)no1	ZINC000173791234	524458112	/nfs/dbraw/zinc/45/81/12/524458112.db2.gz	AWZGXCCDRJWCEV-UHFFFAOYSA-N	0	0	354.414	1.667	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)NCc3cc(C#N)ccc3F)CCO2)c1	ZINC000174026989	524506180	/nfs/dbraw/zinc/50/61/80/524506180.db2.gz	BBEGADUDFMHKKW-MRXNPFEDSA-N	0	0	357.389	1.813	10	30		FDEERN
Cc1cc(N2CCN(CC#Cc3ccc(F)cc3)CC2)n2ncnc2n1	ZINC000159875891	524756916	/nfs/dbraw/zinc/75/69/16/524756916.db2.gz	AYIGLOQVKVWYJQ-UHFFFAOYSA-N	0	0	350.401	1.746	10	30		FDEERN
C[C@@H](C#N)Oc1ccc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1	ZINC000092044794	524833468	/nfs/dbraw/zinc/83/34/68/524833468.db2.gz	TUWSOHWRZXKCFQ-YJBOKZPZSA-N	0	0	363.483	1.977	10	30		FDEERN
CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](Oc3cccnc3)C2)CC1	ZINC000092619149	524899734	/nfs/dbraw/zinc/89/97/34/524899734.db2.gz	FFLAXXPKPLOSBX-RBUKOAKNSA-N	0	0	371.485	1.227	10	30		FDEERN
Cc1noc([C@@H]2COCCN2Cc2nnc(-c3ccc(C#N)cc3)o2)n1	ZINC000161003471	525013840	/nfs/dbraw/zinc/01/38/40/525013840.db2.gz	FYBVFQOZXPQLJZ-AWEZNQCLSA-N	0	0	352.354	1.873	10	30		FDEERN
CCOCCN1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C	ZINC000176232660	525070714	/nfs/dbraw/zinc/07/07/14/525070714.db2.gz	NBOLUAMOMSJCQN-INIZCTEOSA-N	0	0	365.499	1.375	10	30		FDEERN
Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1	ZINC000116899720	525248232	/nfs/dbraw/zinc/24/82/32/525248232.db2.gz	DYXKWOQCEHLEHZ-MRXNPFEDSA-N	0	0	359.455	1.868	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)Cc3cccc(OCC#N)c3)CCO2)c1	ZINC000127360218	525412387	/nfs/dbraw/zinc/41/23/87/525412387.db2.gz	GUQQYEFAHULJDT-GOSISDBHSA-N	0	0	354.410	1.564	10	30		FDEERN
N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H](O)CN1CCOCC1	ZINC000154155194	525442437	/nfs/dbraw/zinc/44/24/37/525442437.db2.gz	XNTDENDDOCFAPG-KRWDZBQOSA-N	0	0	365.433	1.648	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2CO)ccc1F	ZINC000179248130	525547593	/nfs/dbraw/zinc/54/75/93/525547593.db2.gz	BMHCROZEMILZPZ-HIFRSBDPSA-N	0	0	370.446	1.571	10	30		FDEERN
CC[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCN1CCOC	ZINC000128619992	525562092	/nfs/dbraw/zinc/56/20/92/525562092.db2.gz	OASDOPMEHBFKFS-KRWDZBQOSA-N	0	0	365.499	1.375	10	30		FDEERN
Cc1ccc(N2CCCN(CC(=O)NC3(C#N)CCCCC3)CC2)nn1	ZINC000106074479	525563992	/nfs/dbraw/zinc/56/39/92/525563992.db2.gz	PFDOFDVYOUGXEE-UHFFFAOYSA-N	0	0	356.474	1.640	10	30		FDEERN
CC(C)Nc1ncnc2c1ncn2CCS(=O)(=O)c1cccc(C#N)c1	ZINC000128669996	525567510	/nfs/dbraw/zinc/56/75/10/525567510.db2.gz	OZHMACDCPJEJDN-UHFFFAOYSA-N	0	0	370.438	1.992	10	30		FDEERN
N#Cc1c(CN2CCN(c3ccc4nncn4n3)CC2)cn2ccccc12	ZINC000106092445	525575041	/nfs/dbraw/zinc/57/50/41/525575041.db2.gz	AWONZKUJSXRBDL-UHFFFAOYSA-N	0	0	358.409	1.571	10	30		FDEERN
C=CCNc1ncc(C(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)s1	ZINC000128818487	525584542	/nfs/dbraw/zinc/58/45/42/525584542.db2.gz	UZJLORGANPYFDE-LLVKDONJSA-N	0	0	362.459	1.951	10	30		FDEERN
COCCN1CCN(CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C	ZINC000106108595	525598430	/nfs/dbraw/zinc/59/84/30/525598430.db2.gz	MSCNQCRUCGCSEO-HNNXBMFYSA-N	0	0	362.499	1.893	10	30		FDEERN
CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cc1C#N	ZINC000119114527	525639711	/nfs/dbraw/zinc/63/97/11/525639711.db2.gz	PKWNUNCZBSDZMV-KRWDZBQOSA-N	0	0	370.453	1.981	10	30		FDEERN
CCn1cnnc1C1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000106368390	525705629	/nfs/dbraw/zinc/70/56/29/525705629.db2.gz	LGACALQQCYLGLQ-UHFFFAOYSA-N	0	0	363.418	1.877	10	30		FDEERN
CN1CCO[C@@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1	ZINC000170924638	525771689	/nfs/dbraw/zinc/77/16/89/525771689.db2.gz	XEJPVLCHTZYKMP-KRWDZBQOSA-N	0	0	357.458	1.111	10	30		FDEERN
C[C@@H](C(=O)NCc1ccc(C#N)cc1F)N1C(=O)c2ccccc2C1=O	ZINC000170932719	525777731	/nfs/dbraw/zinc/77/77/31/525777731.db2.gz	CGKRUOVDMCNXOR-NSHDSACASA-N	0	0	351.337	1.998	10	30		FDEERN
CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)CC2	ZINC000181729888	525910208	/nfs/dbraw/zinc/91/02/08/525910208.db2.gz	CZJNOJXYQOKGTP-ZDUSSCGKSA-N	0	0	363.418	1.706	10	30		FDEERN
CC(C)[C@@H](O)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N	ZINC000155635248	525929358	/nfs/dbraw/zinc/92/93/58/525929358.db2.gz	OODUBNVCGINMER-KRWDZBQOSA-N	0	0	373.432	1.921	10	30		FDEERN
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1	ZINC000171397710	525976117	/nfs/dbraw/zinc/97/61/17/525976117.db2.gz	FPSJHSIRMNNEAZ-INIZCTEOSA-N	0	0	367.409	1.993	10	30		FDEERN
N#Cc1cccc(OCCCN2CCN(c3ccc4nncn4n3)CC2)c1	ZINC000156148321	526068126	/nfs/dbraw/zinc/06/81/26/526068126.db2.gz	GQSZEFSDXFRSFT-UHFFFAOYSA-N	0	0	363.425	1.587	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)c(Cl)c1	ZINC000183661039	536024407	/nfs/dbraw/zinc/02/44/07/536024407.db2.gz	PKWIPADFMWZEOS-LBPRGKRZSA-N	0	0	351.819	1.829	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1C	ZINC000183667312	536025800	/nfs/dbraw/zinc/02/58/00/536025800.db2.gz	CFWFXQBSAFTTJG-ZDUSSCGKSA-N	0	0	371.890	1.943	10	30		FDEERN
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)o1	ZINC000185476304	536209485	/nfs/dbraw/zinc/20/94/85/536209485.db2.gz	QXKQLCKXUULCFV-GFCCVEGCSA-N	0	0	364.365	1.856	10	30		FDEERN
CC[C@H](C#N)NS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1	ZINC000187013202	536252545	/nfs/dbraw/zinc/25/25/45/536252545.db2.gz	RAFIFBNETWERSK-SECBINFHSA-N	0	0	360.233	1.988	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)NCC(C)(C)C#N)CC1	ZINC000328646132	571136405	/nfs/dbraw/zinc/13/64/05/571136405.db2.gz	SKBPMTPBOKVQDL-CQSZACIVSA-N	0	0	359.478	1.809	10	30		FDEERN
CN(Cc1nccc(N)n1)[C@H]1CCCN(C(=O)Nc2cccnc2)CC1	ZINC000328653056	571136828	/nfs/dbraw/zinc/13/68/28/571136828.db2.gz	WSNSHDXMWKANPN-HNNXBMFYSA-N	0	0	355.446	1.986	10	30		FDEERN
Cn1ccnc(N2CCC[C@H](NC(=O)c3ccn4ccnc4c3)C2)c1=O	ZINC000328646902	571325936	/nfs/dbraw/zinc/32/59/36/571325936.db2.gz	SWMWZJIAASLJQC-AWEZNQCLSA-N	0	0	352.398	1.402	10	30		FDEERN
C=C(Br)CNC(=O)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000115811570	671654311	/nfs/dbraw/zinc/65/43/11/671654311.db2.gz	QPSJRASUOBMRIT-UHFFFAOYSA-N	0	0	356.268	1.546	10	30		FDEERN
C=C(Br)CNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000117039744	671661262	/nfs/dbraw/zinc/66/12/62/671661262.db2.gz	ZLWUWNSCFXZMJC-HNNXBMFYSA-N	0	0	368.275	1.956	10	30		FDEERN
C[C@H](C#N)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br	ZINC000160608752	672003293	/nfs/dbraw/zinc/00/32/93/672003293.db2.gz	WXWBTLBLBNERQD-SSDOTTSWSA-N	0	0	367.246	1.043	10	30		FDEERN
N#Cc1c(NCCO)nc(NCCO)c(C#N)c1-c1ccc(Cl)cc1	ZINC000170622325	672044375	/nfs/dbraw/zinc/04/43/75/672044375.db2.gz	BHXGLTMEPLWBJO-UHFFFAOYSA-N	0	0	357.801	1.954	10	30		FDEERN
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCN(CC#N)CC2)C1	ZINC000174345247	672093116	/nfs/dbraw/zinc/09/31/16/672093116.db2.gz	VMZNYSCXHZXXGW-CABCVRRESA-N	0	0	350.463	1.738	10	30		FDEERN
C[C@H]1COCCN1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F	ZINC000328810263	676607977	/nfs/dbraw/zinc/60/79/77/676607977.db2.gz	AOZWMJRLVTVHDZ-NSHDSACASA-N	0	0	357.407	1.632	10	30		FDEERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2ccc(C#N)cc2)C1	ZINC000707546062	886892727	/nfs/dbraw/zinc/89/27/27/886892727.db2.gz	WEEDKFRPMPZCIO-CVEARBPZSA-N	0	0	359.426	1.445	10	30		FDEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C	ZINC000081450709	172189390	/nfs/dbraw/zinc/18/93/90/172189390.db2.gz	RDIOBHRYXHKNFE-ZDUSSCGKSA-N	0	0	361.442	1.985	10	30		FDEERN
CCCC(=O)N[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000081513052	172191152	/nfs/dbraw/zinc/19/11/52/172191152.db2.gz	CJODHYPKFBUOFK-INIZCTEOSA-N	0	0	363.483	1.713	10	30		FDEERN
Cc1cnn([C@@H]2CCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)c1	ZINC000109681119	172508842	/nfs/dbraw/zinc/50/88/42/172508842.db2.gz	QEOKWGQHKVBXAM-QGZVFWFLSA-N	0	0	351.410	1.657	10	30		FDEERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000124153564	172958943	/nfs/dbraw/zinc/95/89/43/172958943.db2.gz	SIUNKALQXCASLL-ZDUSSCGKSA-N	0	0	372.816	1.955	10	30		FDEERN
Cc1nn(C)c(C)c1CN1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000127446239	173076876	/nfs/dbraw/zinc/07/68/76/173076876.db2.gz	JMDRBBXBLONRDY-FQEVSTJZSA-N	0	0	353.470	1.760	10	30		FDEERN
C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)c1nnc2n1CCCC2	ZINC000132218217	173225467	/nfs/dbraw/zinc/22/54/67/173225467.db2.gz	HJZQLRLNQVZRFF-ZDUSSCGKSA-N	0	0	354.414	1.925	10	30		FDEERN
CCn1cnnc1C1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000132587409	173237150	/nfs/dbraw/zinc/23/71/50/173237150.db2.gz	QHHDCPRVDNPRHW-UHFFFAOYSA-N	0	0	363.418	1.877	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CCO2)c1	ZINC000175983222	174041965	/nfs/dbraw/zinc/04/19/65/174041965.db2.gz	JLNFHAKDPWFAMD-HNNXBMFYSA-N	0	0	371.372	1.068	10	30		FDEERN
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)c2C#N)CCN1C[C@@H](C)O	ZINC000177616605	174144968	/nfs/dbraw/zinc/14/49/68/174144968.db2.gz	RETRYXXMSDTDSR-HUUCEWRRSA-N	0	0	358.442	1.109	10	30		FDEERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3)C2)n1	ZINC000177645903	174146978	/nfs/dbraw/zinc/14/69/78/174146978.db2.gz	QKSKNEKEGMQFFL-INIZCTEOSA-N	0	0	366.425	1.644	10	30		FDEERN
Cc1cc(N2CCN(CC(=O)Nc3nncs3)CC2)c(C#N)c(C)n1	ZINC000302038515	259038122	/nfs/dbraw/zinc/03/81/22/259038122.db2.gz	QKJNRNSNOBHGDS-UHFFFAOYSA-N	0	0	357.443	1.182	10	30		FDEERN
Cc1ncc(S(=O)(=O)N2CCC[C@@H](Cc3nccn3C)C2)cc1C#N	ZINC000330199706	259132920	/nfs/dbraw/zinc/13/29/20/259132920.db2.gz	VTPUNSNUYAFZPC-AWEZNQCLSA-N	0	0	359.455	1.639	10	30		FDEERN
Cc1noc(C2CN(C(=O)[C@H]3CCCN(c4nc(C)ccc4C#N)C3)C2)n1	ZINC000333102301	259309715	/nfs/dbraw/zinc/30/97/15/259309715.db2.gz	CYUWVEACGFVGEW-HNNXBMFYSA-N	0	0	366.425	1.796	10	30		FDEERN
CCc1nnc(N=NCc2cc(Br)c(O)c(OC)c2)n1N	ZINC000006489991	518372880	/nfs/dbraw/zinc/37/28/80/518372880.db2.gz	OUIHELAHNMUZEM-UHFFFAOYSA-N	0	0	355.196	1.477	10	30		FDEERN
C[C@H](C#N)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O	ZINC000068925064	521761494	/nfs/dbraw/zinc/76/14/94/521761494.db2.gz	JWFDDMDDAJSPPZ-MRVPVSSYSA-N	0	0	350.172	1.463	10	30		FDEERN
COC(=O)c1ccc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc1	ZINC000015227434	521936583	/nfs/dbraw/zinc/93/65/83/521936583.db2.gz	CSYKZSSEWNVJQC-KEBDBYFISA-N	0	0	359.361	1.685	10	30		FDEERN
Cc1csc(N=NC(C)CN2C(=O)c3ccccc3S2(=O)=O)n1	ZINC000048553909	522748968	/nfs/dbraw/zinc/74/89/68/522748968.db2.gz	DXFVIUOITBWUEF-CXUHLZMHSA-N	0	0	350.425	2.084	10	30		FDEERN
COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)NC(=O)c1ccco1	ZINC000074500016	522787704	/nfs/dbraw/zinc/78/77/04/522787704.db2.gz	YOTYPRLEVDPWOX-CQSZACIVSA-N	0	0	355.394	1.945	10	30		FDEERN
CCOc1ccnc(N2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)n1	ZINC000172244950	524175352	/nfs/dbraw/zinc/17/53/52/524175352.db2.gz	FNNSVSROWVWWFV-UHFFFAOYSA-N	0	0	366.425	1.779	10	30		FDEERN
Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)[C@@H](C)CC#N	ZINC000137000680	524224676	/nfs/dbraw/zinc/22/46/76/524224676.db2.gz	VZINACNKUNOKJP-NSHDSACASA-N	0	0	366.377	1.955	10	30		FDEERN
CCc1nnc([C@@H]2CN(C(=O)NCc3ccc(C#N)cc3F)CCO2)[nH]1	ZINC000139045546	524271325	/nfs/dbraw/zinc/27/13/25/524271325.db2.gz	VFILLIVXQOOAGN-AWEZNQCLSA-N	0	0	358.377	1.661	10	30		FDEERN
C=CCNC(=O)c1ccc(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nc1	ZINC000112556746	524507961	/nfs/dbraw/zinc/50/79/61/524507961.db2.gz	WMLBCJXIJDXASI-AWEZNQCLSA-N	0	0	370.457	1.826	10	30		FDEERN
CC(=O)N[C@@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1	ZINC000151097155	524525101	/nfs/dbraw/zinc/52/51/01/524525101.db2.gz	TTYCNUYBXNTEOK-MRXNPFEDSA-N	0	0	356.426	1.794	10	30		FDEERN
CC(C)c1nc2c(n1C)CCN(C(=O)CNC(=O)c1ccc(C#N)cc1)C2	ZINC000112725627	524553609	/nfs/dbraw/zinc/55/36/09/524553609.db2.gz	LHNUJWORRZWPBY-UHFFFAOYSA-N	0	0	365.437	1.730	10	30		FDEERN
CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3C#N)CCO2)[nH]1	ZINC000123113355	524682261	/nfs/dbraw/zinc/68/22/61/524682261.db2.gz	TXGFTMKLYRSXKR-GFCCVEGCSA-N	0	0	365.390	1.140	10	30		FDEERN
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2c2cn[nH]c2)CC1	ZINC000091620790	524742973	/nfs/dbraw/zinc/74/29/73/524742973.db2.gz	NARFRRNWNSFZFP-MSOLQXFVSA-N	0	0	358.490	1.629	10	30		FDEERN
CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C1	ZINC000174821684	524748765	/nfs/dbraw/zinc/74/87/65/524748765.db2.gz	OGWNPEOGVDHRFY-AWEZNQCLSA-N	0	0	356.426	1.713	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)c3ccccc3OCC#N)C2=O)n(C)n1	ZINC000174984794	524821273	/nfs/dbraw/zinc/82/12/73/524821273.db2.gz	QDNUWFYOMUZKST-OAHLLOKOSA-N	0	0	367.409	1.556	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)c3cccc(CC#N)c3)C2=O)n(C)n1	ZINC000175016074	524835581	/nfs/dbraw/zinc/83/55/81/524835581.db2.gz	IEOSRKFTADEVEA-INIZCTEOSA-N	0	0	351.410	1.720	10	30		FDEERN
Cc1ccc([C@@H](CNS(=O)(=O)CCCC#N)N2CCOCC2)s1	ZINC000175218578	524907138	/nfs/dbraw/zinc/90/71/38/524907138.db2.gz	FGVJDRNJEUFTMO-CQSZACIVSA-N	0	0	357.501	1.653	10	30		FDEERN
C[C@H](C#N)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	ZINC000125825388	525241315	/nfs/dbraw/zinc/24/13/15/525241315.db2.gz	ADYZNSGMUPJWNB-SNVBAGLBSA-N	0	0	373.837	1.908	10	30		FDEERN
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCN1CCOC	ZINC000117526762	525362730	/nfs/dbraw/zinc/36/27/30/525362730.db2.gz	BFJURTUZFDMZRI-OAHLLOKOSA-N	0	0	362.405	1.205	10	30		FDEERN
Cc1ccc(N2CCCN(CC(=O)Nc3sccc3C#N)CC2)nn1	ZINC000106072638	525564209	/nfs/dbraw/zinc/56/42/09/525564209.db2.gz	FMZMUDAKNWQNIW-UHFFFAOYSA-N	0	0	356.455	1.869	10	30		FDEERN
CCOc1ccnc(N2CCN(CCOc3ccccc3C#N)CC2)n1	ZINC000106152058	525634199	/nfs/dbraw/zinc/63/41/99/525634199.db2.gz	NCVDUFZTWVTAFX-UHFFFAOYSA-N	0	0	353.426	1.948	10	30		FDEERN
CCOc1cc(C)nc(N2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)n1	ZINC000106154131	525637027	/nfs/dbraw/zinc/63/70/27/525637027.db2.gz	LYYAILBPGMJYJX-IBGZPJMESA-N	0	0	374.489	1.360	10	30		FDEERN
Cn1cc(CN2CCCN(CC(=O)Nc3cccc(C#N)c3)CC2)cn1	ZINC000106157236	525642872	/nfs/dbraw/zinc/64/28/72/525642872.db2.gz	ANZRWIXMOPOEEW-UHFFFAOYSA-N	0	0	352.442	1.438	10	30		FDEERN
Cc1cnn(C[C@@H]2CN([C@@H](C)C(=O)Nc3ccccc3C#N)CCO2)c1	ZINC000106196655	525666417	/nfs/dbraw/zinc/66/64/17/525666417.db2.gz	PJKBDRQTIFGJHH-RDJZCZTQSA-N	0	0	353.426	1.791	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000170935761	525778567	/nfs/dbraw/zinc/77/85/67/525778567.db2.gz	GBJVNYRFQZMARC-AZUAARDMSA-N	0	0	357.498	1.927	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N1CCC(Cn2cccn2)CC1	ZINC000184506831	536158885	/nfs/dbraw/zinc/15/88/85/536158885.db2.gz	WZEQWRUAWOBPIW-UHFFFAOYSA-N	0	0	366.421	1.772	10	30		FDEERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184652056	536173375	/nfs/dbraw/zinc/17/33/75/536173375.db2.gz	DZUVWJKBHIYEGC-CQSZACIVSA-N	0	0	363.385	1.696	10	30		FDEERN
Cc1noc([C@H]2COCCN2CC(=O)Nc2cc(Cl)ccc2C#N)n1	ZINC000185072469	536197452	/nfs/dbraw/zinc/19/74/52/536197452.db2.gz	ILRBUQRDLMYBLL-CQSZACIVSA-N	0	0	361.789	1.915	10	30		FDEERN
CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C#N)c(O)c2)ncn1	ZINC000188592763	536908182	/nfs/dbraw/zinc/90/81/82/536908182.db2.gz	MVFFGXNMTCJCLD-AWEZNQCLSA-N	0	0	352.398	1.494	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1C	ZINC000246274242	536915046	/nfs/dbraw/zinc/91/50/46/536915046.db2.gz	AULMKCZDVNHMBL-CYBMUJFWSA-N	0	0	355.435	1.429	10	30		FDEERN
Cc1nsc(NC(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c1C#N	ZINC000262988368	536955632	/nfs/dbraw/zinc/95/56/32/536955632.db2.gz	DBIBHFGNAMKSEC-UHFFFAOYSA-N	0	0	363.443	1.772	10	30		FDEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000189189035	537009733	/nfs/dbraw/zinc/00/97/33/537009733.db2.gz	SIDRXHSXGCKESP-QWHCGFSZSA-N	0	0	366.374	1.540	10	30		FDEERN
C=CCOc1cccnc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1	ZINC000263463391	537034320	/nfs/dbraw/zinc/03/43/20/537034320.db2.gz	WEXXMFOMWMKWDU-UHFFFAOYSA-N	0	0	359.426	1.704	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)CC2(C#N)CCCCC2)C1	ZINC000263494026	537039190	/nfs/dbraw/zinc/03/91/90/537039190.db2.gz	QAEOPNPCTQQSJK-UHFFFAOYSA-N	0	0	357.476	1.317	10	30		FDEERN
N#CCCN(C(=O)CCC(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1	ZINC000189427410	537044792	/nfs/dbraw/zinc/04/47/92/537044792.db2.gz	KNGLDSLWXDWPTB-UHFFFAOYSA-N	0	0	368.437	1.450	10	30		FDEERN
C[C@@H](C#N)CNC(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000190152493	537147145	/nfs/dbraw/zinc/14/71/45/537147145.db2.gz	HNFSLCGSEYSTHI-LSDHHAIUSA-N	0	0	352.479	1.984	10	30		FDEERN
CCOCCN1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1C	ZINC000247780561	537150523	/nfs/dbraw/zinc/15/05/23/537150523.db2.gz	RWAUHLVZQVXEPL-IAGOWNOFSA-N	0	0	350.507	1.760	10	30		FDEERN
C=CCNC(=O)CNC(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1	ZINC000194350595	537269926	/nfs/dbraw/zinc/26/99/26/537269926.db2.gz	NYBPBILZVPAUBC-LBPRGKRZSA-N	0	0	366.487	1.826	10	30		FDEERN
COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000195270892	537382666	/nfs/dbraw/zinc/38/26/66/537382666.db2.gz	NFJXHWOJMVUGKH-CQSZACIVSA-N	0	0	369.425	1.792	10	30		FDEERN
N#CCNS(=O)(=O)c1cccc(-c2ccc(C(N)=O)c3[nH]ccc32)c1	ZINC000584619669	551524345	/nfs/dbraw/zinc/52/43/45/551524345.db2.gz	YGBYLJJDFFLRFU-UHFFFAOYSA-N	0	0	354.391	1.736	10	30		FDEERN
O=C(C(C(=O)C(F)(F)F)=C1N[C@@H](C(F)(F)F)OC1=O)C(F)(F)F	ZINC000584659332	551525482	/nfs/dbraw/zinc/52/54/82/551525482.db2.gz	FOUWEHPGQRLBJX-ZCFIWIBFSA-N	0	0	359.100	1.538	10	30		FDEERN
Cc1cc(C(=O)N[C@@H]2CCC(=O)NC2(C)C)nn1-c1cccc(C#N)c1	ZINC000619799354	555835886	/nfs/dbraw/zinc/83/58/86/555835886.db2.gz	KJYBBAMILOATNT-MRXNPFEDSA-N	0	0	351.410	1.839	10	30		FDEERN
CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(S(=O)(=O)CC2(C#N)CC2)C1	ZINC000328629821	571325063	/nfs/dbraw/zinc/32/50/63/571325063.db2.gz	PFBJIDBJGYTDMY-NWDGAFQWSA-N	0	0	352.416	1.342	10	30		FDEERN
N#C[C@H](C(=O)[C@@H]1CNC(=O)C1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3	ZINC000171480288	672054684	/nfs/dbraw/zinc/05/46/84/672054684.db2.gz	JWJKHIMPIFONOC-WCBMZHEXSA-N	0	0	356.407	1.176	10	30		FDEERN
N#C[C@H](C(=O)[C@H]1C[C@H]1C1CCCCC1)C(=O)N1CCS(=O)(=O)CC1	ZINC000174259956	672091778	/nfs/dbraw/zinc/09/17/78/672091778.db2.gz	HZOFYPDCVPGQMC-SOUVJXGZSA-N	0	0	352.456	1.169	10	30		FDEERN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1	ZINC000195042664	672393191	/nfs/dbraw/zinc/39/31/91/672393191.db2.gz	DFXWQBLEMBKTDA-INIZCTEOSA-N	0	0	363.483	1.461	10	30		FDEERN
C=CCNC(=O)CNC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1	ZINC000246102322	672490234	/nfs/dbraw/zinc/49/02/34/672490234.db2.gz	LPWCFBDMMJAQFB-ZIAGYGMSSA-N	0	0	366.487	1.111	10	30		FDEERN
C[C@H](O)CN1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C	ZINC000249648544	672576938	/nfs/dbraw/zinc/57/69/38/672576938.db2.gz	SWCIBFUHHSEFTP-KBPBESRZSA-N	0	0	354.372	1.970	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCO1	ZINC000262066593	672719924	/nfs/dbraw/zinc/71/99/24/672719924.db2.gz	BJDKKUXIRZBEQJ-ZDUSSCGKSA-N	0	0	357.332	1.799	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CCO1	ZINC000262161918	672738209	/nfs/dbraw/zinc/73/82/09/672738209.db2.gz	SYALAMQAFHRVNY-NSHDSACASA-N	0	0	358.320	1.194	10	30		FDEERN
C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2cccc(Br)c2C#N)CCO1	ZINC000263417076	672874717	/nfs/dbraw/zinc/87/47/17/672874717.db2.gz	OGDBTUPUOHQNAG-LLVKDONJSA-N	0	0	368.231	1.542	10	30		FDEERN
CCN1CCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccccc1	ZINC000329035578	676616783	/nfs/dbraw/zinc/61/67/83/676616783.db2.gz	RBSOTGIWWPZFGI-IKGGRYGDSA-N	0	0	366.483	1.840	10	30		FDEERN
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1	ZINC000374449339	678081145	/nfs/dbraw/zinc/08/11/45/678081145.db2.gz	ATQDJBQOXMONHM-YPMHNXCESA-N	0	0	353.448	1.463	10	30		FDEERN
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000374548607	678086809	/nfs/dbraw/zinc/08/68/09/678086809.db2.gz	HWPFBKWCHKQYGE-KBPBESRZSA-N	0	0	366.491	1.620	10	30		FDEERN
CCn1cc([C@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3)CCO2)cn1	ZINC000190497794	178005946	/nfs/dbraw/zinc/00/59/46/178005946.db2.gz	HCSHGHAWAKKTMH-MRXNPFEDSA-N	0	0	353.382	1.313	10	30		FDEERN
COCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1C	ZINC000173167099	258291969	/nfs/dbraw/zinc/29/19/69/258291969.db2.gz	WHOYVOUVNHLEGA-LBPRGKRZSA-N	0	0	357.863	1.553	10	30		FDEERN
N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)c(F)c1	ZINC000125775308	173018470	/nfs/dbraw/zinc/01/84/70/173018470.db2.gz	HJBKZTIAKSJRBC-LLVKDONJSA-N	0	0	353.354	1.454	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)CCN2CCO[C@H](c3nccs3)C2)c1	ZINC000128596575	173113936	/nfs/dbraw/zinc/11/39/36/173113936.db2.gz	LGRBCXHXKYNQFK-HNNXBMFYSA-N	0	0	363.464	1.862	10	30		FDEERN
N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1	ZINC000135807504	173353398	/nfs/dbraw/zinc/35/33/98/173353398.db2.gz	VGXCEFRJIOYMOK-KRWDZBQOSA-N	0	0	350.378	1.363	10	30		FDEERN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Oc1ccccc1C#N	ZINC000155308773	173533850	/nfs/dbraw/zinc/53/38/50/173533850.db2.gz	HGFUEQLKUDLFNN-JSGCOSHPSA-N	0	0	355.398	1.715	10	30		FDEERN
Cn1nccc1C1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000175993717	174042383	/nfs/dbraw/zinc/04/23/83/174042383.db2.gz	BDNRBYZFFLLPKK-UHFFFAOYSA-N	0	0	355.373	1.776	10	30		FDEERN
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2O)cc1C(F)(F)F	ZINC000177178129	174111401	/nfs/dbraw/zinc/11/14/01/174111401.db2.gz	DCKRAXVPMNXENX-QWHCGFSZSA-N	0	0	355.316	1.935	10	30		FDEERN
N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1	ZINC000177353148	174123645	/nfs/dbraw/zinc/12/36/45/174123645.db2.gz	KPIMTMLLELUFAS-OAHLLOKOSA-N	0	0	351.414	1.516	10	30		FDEERN
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCO[C@H](c2nccs2)C1	ZINC000178515930	174191232	/nfs/dbraw/zinc/19/12/32/174191232.db2.gz	FLPMVFYEJVZSEY-AWEZNQCLSA-N	0	0	356.407	1.862	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)c(Cl)c1	ZINC000183661058	177590314	/nfs/dbraw/zinc/59/03/14/177590314.db2.gz	PKWIPADFMWZEOS-GFCCVEGCSA-N	0	0	351.819	1.829	10	30		FDEERN
Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)cn1	ZINC000179720029	258357052	/nfs/dbraw/zinc/35/70/52/258357052.db2.gz	BNVNWEVSTHZUJN-LBPRGKRZSA-N	0	0	369.429	1.198	10	30		FDEERN
CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(F)c(C#N)c3)CCO2)[nH]1	ZINC000173738233	258308775	/nfs/dbraw/zinc/30/87/75/258308775.db2.gz	AIFCFNWVNRKBRI-CYBMUJFWSA-N	0	0	365.390	1.140	10	30		FDEERN
Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(C#N)cc3)C2=O)n(C)n1	ZINC000174310289	258323567	/nfs/dbraw/zinc/32/35/67/258323567.db2.gz	MMBCGGCANNUYSU-HNNXBMFYSA-N	0	0	352.398	1.917	10	30		FDEERN
CCn1cc([C@H]2CN(C(=O)C(=O)Nc3cccc(C)c3C#N)CCO2)cn1	ZINC000190516155	258388838	/nfs/dbraw/zinc/38/88/38/258388838.db2.gz	XSLURQKUAASHCR-QGZVFWFLSA-N	0	0	367.409	1.622	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)CCNc2c(C#N)cnc3ccccc32)C[C@@H](C)O1	ZINC000301373107	259026448	/nfs/dbraw/zinc/02/64/48/259026448.db2.gz	WEQYHCYQFBMJPQ-ZIAGYGMSSA-N	0	0	374.466	1.957	10	30		FDEERN
C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)Nc1nc2n(c1C#N)CCS2	ZINC000329071235	259075355	/nfs/dbraw/zinc/07/53/55/259075355.db2.gz	YWURSOUHUDHAQM-VXGBXAGGSA-N	0	0	354.439	1.966	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN4CCOC[C@@H]4C3)C2)n1	ZINC000329458389	259096790	/nfs/dbraw/zinc/09/67/90/259096790.db2.gz	QXZNEYHLTJRBNV-MSOLQXFVSA-N	0	0	369.469	1.021	10	30		FDEERN
N#Cc1ccc(OC2CN(C(=O)[C@H]3COCCN3CC(F)(F)F)C2)cc1	ZINC000329480759	259098505	/nfs/dbraw/zinc/09/85/05/259098505.db2.gz	DCZJDAYFSHNBSS-OAHLLOKOSA-N	0	0	369.343	1.411	10	30		FDEERN
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCn4ccnc4C3)C2)n1	ZINC000329911385	259116804	/nfs/dbraw/zinc/11/68/04/259116804.db2.gz	NUNRTIQRGYAKIF-MRXNPFEDSA-N	0	0	350.426	1.717	10	30		FDEERN
N#CC(C#N)=c1cc(Br)c(=C(C#N)C#N)cc1Br	ZINC000033414741	519587900	/nfs/dbraw/zinc/58/79/00/519587900.db2.gz	OJFNHXWMRQGERY-UHFFFAOYSA-N	0	0	361.984	1.607	10	30		FDEERN
N#Cc1cccc(NC(=O)CN2CCCN(c3ncccc3C#N)CC2)c1	ZINC000064634462	522740641	/nfs/dbraw/zinc/74/06/41/522740641.db2.gz	PWHGWBSTLKHRHB-UHFFFAOYSA-N	0	0	360.421	1.976	10	30		FDEERN
C=CCNC(=O)c1ccc(N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)nc1	ZINC000078675256	523635295	/nfs/dbraw/zinc/63/52/95/523635295.db2.gz	RKHBYTUULBHGRK-OAHLLOKOSA-N	0	0	368.441	1.647	10	30		FDEERN
Cn1cc(CN2CCCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)cn1	ZINC000136261842	524193505	/nfs/dbraw/zinc/19/35/05/524193505.db2.gz	BVICSCVDDPPYFD-UHFFFAOYSA-N	0	0	366.421	1.235	10	30		FDEERN
Cc1cccc(S(=O)(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1C#N	ZINC000157599162	524304045	/nfs/dbraw/zinc/30/40/45/524304045.db2.gz	ZBXVVJYVJRHRAG-UHFFFAOYSA-N	0	0	373.482	1.497	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2ccccc2C#N)C[C@H]1CC	ZINC000157666781	524317629	/nfs/dbraw/zinc/31/76/29/524317629.db2.gz	IIQXABAPPRYGEI-MRXNPFEDSA-N	0	0	351.472	1.680	10	30		FDEERN
Cc1cnn(C[C@H]2CN(C(=O)Cc3ccc(OCC#N)cc3)CCO2)c1	ZINC000112067395	524398065	/nfs/dbraw/zinc/39/80/65/524398065.db2.gz	ACNNXMDJYXRNQC-GOSISDBHSA-N	0	0	354.410	1.564	10	30		FDEERN
Cc1nnc([C@@H]2CN(Cc3nnc(-c4ccc(C#N)cc4)o3)CCO2)[nH]1	ZINC000173670550	524431052	/nfs/dbraw/zinc/43/10/52/524431052.db2.gz	WNAZNHOGHKACCV-AWEZNQCLSA-N	0	0	351.370	1.608	10	30		FDEERN
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(Nc2cccnn2)CC1	ZINC000122202444	524475874	/nfs/dbraw/zinc/47/58/74/524475874.db2.gz	LOTZOWLOTPPEST-UHFFFAOYSA-N	0	0	357.439	1.922	10	30		FDEERN
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2CO)c1	ZINC000151039336	524517903	/nfs/dbraw/zinc/51/79/03/524517903.db2.gz	KLDOLSFPSLXDKB-ZBFHGGJFSA-N	0	0	352.456	1.432	10	30		FDEERN
Cc1cc(N2CCC[C@@H](NC(=O)Cc3ccc(C#N)cc3)C2=O)n(C)n1	ZINC000174977920	524820025	/nfs/dbraw/zinc/82/00/25/524820025.db2.gz	DMCGBPYTZYQNIM-MRXNPFEDSA-N	0	0	351.410	1.455	10	30		FDEERN
C#CCOc1ccc(Br)cc1[C@@H]1NC(=O)[C@@H]2COCCN12	ZINC000093883212	525001356	/nfs/dbraw/zinc/00/13/56/525001356.db2.gz	VVQWCIDOGZCCJU-GXTWGEPZSA-N	0	0	351.200	1.290	10	30		FDEERN
CCn1cc(C2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cn1	ZINC000125080430	525137616	/nfs/dbraw/zinc/13/76/16/525137616.db2.gz	JMBUADZTJWDEPL-UHFFFAOYSA-N	0	0	369.429	1.358	10	30		FDEERN
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(CCC#N)CC1CC1	ZINC000125796295	525236915	/nfs/dbraw/zinc/23/69/15/525236915.db2.gz	ZFPKCUXSYXFOPB-GFCCVEGCSA-N	0	0	360.439	1.266	10	30		FDEERN
CCOCCN1CCN(S(=O)(=O)c2cc(C#N)ccc2C)C[C@H]1CC	ZINC000116899064	525247925	/nfs/dbraw/zinc/24/79/25/525247925.db2.gz	YZDGUYCHVFTWLN-QGZVFWFLSA-N	0	0	365.499	1.988	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000106135205	525625893	/nfs/dbraw/zinc/62/58/93/525625893.db2.gz	BYUYDADYMBTGHI-CYBMUJFWSA-N	0	0	354.414	1.567	10	30		FDEERN
CCOc1cc(C)nc(N2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)n1	ZINC000106153874	525637523	/nfs/dbraw/zinc/63/75/23/525637523.db2.gz	GEBDXXQXYYUBOB-OAHLLOKOSA-N	0	0	360.462	1.066	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(CCC(=O)Nc3cccc(C#N)c3)CCO2)c1	ZINC000106199309	525670507	/nfs/dbraw/zinc/67/05/07/525670507.db2.gz	CGSPBCSVCGQUPU-SFHVURJKSA-N	0	0	353.426	1.793	10	30		FDEERN
C=CCN(Cc1nnc(C)n1CC)S(=O)(=O)c1ccc(OC)cc1	ZINC000180319234	525690513	/nfs/dbraw/zinc/69/05/13/525690513.db2.gz	JHUVJLHSILFMKB-UHFFFAOYSA-N	0	0	350.444	1.992	10	30		FDEERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)n1	ZINC000119444621	525748781	/nfs/dbraw/zinc/74/87/81/525748781.db2.gz	LYBBXERNPMEZAQ-QGZVFWFLSA-N	0	0	366.421	1.914	10	30		FDEERN
C=CCNC(=O)CNC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1	ZINC000181205146	525819455	/nfs/dbraw/zinc/81/94/55/525819455.db2.gz	ZGSILOOXRIEAOJ-UHFFFAOYSA-N	0	0	357.414	1.270	10	30		FDEERN
C=CCN1CCC(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1	ZINC000171536926	526027855	/nfs/dbraw/zinc/02/78/55/526027855.db2.gz	INABRNNMQHEGMA-KSSFIOAISA-N	0	0	354.516	1.952	10	30		FDEERN
CCOc1ccnc(N2CCN(C(=O)c3cccc(CC#N)c3)CC2)n1	ZINC000171816248	526133110	/nfs/dbraw/zinc/13/31/10/526133110.db2.gz	LCSQPVYWXNOGSD-UHFFFAOYSA-N	0	0	351.410	1.904	10	30		FDEERN
[O-]C(=[NH+]CCn1cccn1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1	ZINC000328620111	527586051	/nfs/dbraw/zinc/58/60/51/527586051.db2.gz	GRSMFSOFFUNETL-MRXNPFEDSA-N	0	0	370.457	1.946	10	30		FDEERN
Cn1cc([C@H]2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)cn1	ZINC000184641838	536171984	/nfs/dbraw/zinc/17/19/84/536171984.db2.gz	LBVVVQVBEVXGHU-AWEZNQCLSA-N	0	0	362.397	1.894	10	30		FDEERN
Cc1noc([C@H]2COCCN2CC(=O)Nc2ccc(C#N)c(Cl)c2)n1	ZINC000185085174	536197979	/nfs/dbraw/zinc/19/79/79/536197979.db2.gz	FHGOVEAITBJLBI-CQSZACIVSA-N	0	0	361.789	1.915	10	30		FDEERN
C=C(C)[C@H](NC(=O)N1CC(NC(=O)COC)C1)c1ccc(F)c(F)c1	ZINC000185851281	536219128	/nfs/dbraw/zinc/21/91/28/536219128.db2.gz	INVOJPZKTHPXQD-INIZCTEOSA-N	0	0	353.369	1.738	10	30		FDEERN
CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)CC2	ZINC000188300454	536289266	/nfs/dbraw/zinc/28/92/66/536289266.db2.gz	JOOYXQAZWXJXFX-CQSZACIVSA-N	0	0	352.398	1.343	10	30		FDEERN
CCOCCN1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1C	ZINC000246434937	536953418	/nfs/dbraw/zinc/95/34/18/536953418.db2.gz	LOYTVPPCCHUWBU-GDBMZVCRSA-N	0	0	362.499	1.768	10	30		FDEERN
CC(C)c1nnc(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)n1C	ZINC000194643041	537306264	/nfs/dbraw/zinc/30/62/64/537306264.db2.gz	NYYFDVCULFZAOZ-GOSISDBHSA-N	0	0	352.398	1.777	10	30		FDEERN
C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1ccccc1C#N	ZINC000583616315	551377148	/nfs/dbraw/zinc/37/71/48/551377148.db2.gz	SHNSWIKTCQYEKG-INMHGKMJSA-N	0	0	350.440	1.499	10	30		FDEERN
N#Cc1cc(S(=O)(=O)NC[C@@H]2CCn3ccnc3C2)ccc1Cl	ZINC000328620432	570763006	/nfs/dbraw/zinc/76/30/06/570763006.db2.gz	GZSZPBHCXJMXTI-LLVKDONJSA-N	0	0	350.831	1.949	10	30		FDEERN
N#C[C@@H](C(=O)[C@H]1CNC(=O)C1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3	ZINC000171480278	672054759	/nfs/dbraw/zinc/05/47/59/672054759.db2.gz	JWJKHIMPIFONOC-SCZZXKLOSA-N	0	0	356.407	1.176	10	30		FDEERN
N#Cc1c(=O)[n-]c(N2CCOCC2)nc1-c1ccc(Br)o1	ZINC000223967278	672413551	/nfs/dbraw/zinc/41/35/51/672413551.db2.gz	VPMJQLWCKCTQMI-UHFFFAOYSA-N	0	0	351.160	1.501	10	30		FDEERN
Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C2)n1	ZINC000369223350	677503795	/nfs/dbraw/zinc/50/37/95/677503795.db2.gz	FACDOEKVAGQKCC-SWLSCSKDSA-N	0	0	354.480	1.086	10	30		FDEERN
N#Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cc1Cl	ZINC000189223739	177916219	/nfs/dbraw/zinc/91/62/19/177916219.db2.gz	UFBAOOWRDVBZEL-UHFFFAOYSA-N	0	0	360.801	1.277	10	30		FDEERN
Cc1ccc(C#N)cc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1	ZINC000172410808	258275582	/nfs/dbraw/zinc/27/55/82/258275582.db2.gz	PGFIQGAMXSTFGZ-UHFFFAOYSA-N	0	0	362.397	1.659	10	30		FDEERN
CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000077542612	172128371	/nfs/dbraw/zinc/12/83/71/172128371.db2.gz	XCUXEPFPYISUOH-CQSZACIVSA-N	0	0	360.389	1.543	10	30		FDEERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)CC2	ZINC000119557700	172758835	/nfs/dbraw/zinc/75/88/35/172758835.db2.gz	XIOZXIZRKMISDH-AWEZNQCLSA-N	0	0	352.398	1.343	10	30		FDEERN
CCc1nnc(N2CCN(c3ccc4nncn4n3)CC2)c(C#N)c1CC	ZINC000125451568	173006061	/nfs/dbraw/zinc/00/60/61/173006061.db2.gz	LXEWWCQIJKZDKV-UHFFFAOYSA-N	0	0	363.429	1.237	10	30		FDEERN
Cc1nc(CN2CCCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)no1	ZINC000176356828	174066550	/nfs/dbraw/zinc/06/65/50/174066550.db2.gz	CROWHJIISHYFNT-UHFFFAOYSA-N	0	0	361.352	1.876	10	30		FDEERN
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2O)cc1C(F)(F)F	ZINC000177178077	174111212	/nfs/dbraw/zinc/11/12/12/174111212.db2.gz	DCKRAXVPMNXENX-OLZOCXBDSA-N	0	0	355.316	1.935	10	30		FDEERN
C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1N1CCOCC1	ZINC000177266195	174118558	/nfs/dbraw/zinc/11/85/58/174118558.db2.gz	HAGWQJBHXONPNP-PBHICJAKSA-N	0	0	353.426	1.761	10	30		FDEERN
Cc1noc([C@@H](C)N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000177620252	174145355	/nfs/dbraw/zinc/14/53/55/174145355.db2.gz	TVDUVPZKHHWPQH-GFCCVEGCSA-N	0	0	368.397	1.094	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1Cl	ZINC000180977197	174199315	/nfs/dbraw/zinc/19/93/15/174199315.db2.gz	GRKLXZQAMLOBOU-LBPRGKRZSA-N	0	0	365.846	1.904	10	30		FDEERN
N#Cc1cc(C(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)c[nH]1	ZINC000181302300	174216383	/nfs/dbraw/zinc/21/63/83/174216383.db2.gz	KPKBIXKWJWYCCH-KRWDZBQOSA-N	0	0	354.410	1.084	10	30		FDEERN
N#Cc1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nn1	ZINC000301946233	259036057	/nfs/dbraw/zinc/03/60/57/259036057.db2.gz	XKTROMPTLQOLDE-UHFFFAOYSA-N	0	0	365.365	1.137	10	30		FDEERN
N#Cc1ccc(OC[C@@]23COC[C@H]2CN(C(=O)Cc2ccco2)C3)nc1	ZINC000503717645	263669842	/nfs/dbraw/zinc/66/98/42/263669842.db2.gz	UAANXICYDUJMNA-DNVCBOLYSA-N	0	0	353.378	1.643	10	30		FDEERN
O=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@@H](O)CC3=O	ZINC000004098645	518287403	/nfs/dbraw/zinc/28/74/03/518287403.db2.gz	MTOHOIPTYJIUCH-KPOBHBOGSA-N	0	0	350.326	1.749	10	30	in-vitro	FDEERN
C=CCn1c2ccccc2nc1CN1CCN(c2cc(N)nc(N)n2)CC1	ZINC000065455458	534450551	/nfs/dbraw/zinc/45/05/51/534450551.db2.gz	WKHPJBILEJLXEH-UHFFFAOYSA-N	0	0	364.457	1.499	10	30		FDEERN
CCCC(=O)N[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000080976548	523925026	/nfs/dbraw/zinc/92/50/26/523925026.db2.gz	FITNANMKRZMXHR-CYBMUJFWSA-N	0	0	350.444	1.091	10	30		FDEERN
C=CCOc1ccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1OC	ZINC000111078841	524197948	/nfs/dbraw/zinc/19/79/48/524197948.db2.gz	BDNMNIJLBWJITA-INIZCTEOSA-N	0	0	357.410	1.998	10	30		FDEERN
Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3ccccc3C#N)C2)n1	ZINC000157669136	524316677	/nfs/dbraw/zinc/31/66/77/524316677.db2.gz	JWKMGXDZRGCUAC-HNNXBMFYSA-N	0	0	359.455	1.868	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3C#N)CCO2)c1	ZINC000152002370	524752386	/nfs/dbraw/zinc/75/23/86/524752386.db2.gz	ABWXYFBJPMVCCK-OAHLLOKOSA-N	0	0	364.402	1.292	10	30		FDEERN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1	ZINC000174836067	524755592	/nfs/dbraw/zinc/75/55/92/524755592.db2.gz	GGTKPWXDHAIYTQ-MRXNPFEDSA-N	0	0	370.384	1.873	10	30		FDEERN
COc1ccccc1C(=O)N[C@H](C(=O)N1CCN(CC#N)CC1)C(C)C	ZINC000152764437	524997051	/nfs/dbraw/zinc/99/70/51/524997051.db2.gz	AXJHZPKEATUSPR-KRWDZBQOSA-N	0	0	358.442	1.117	10	30		FDEERN
C[C@@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000175880294	525022857	/nfs/dbraw/zinc/02/28/57/525022857.db2.gz	NFUISHNBVUZHFM-AWEZNQCLSA-N	0	0	355.398	1.457	10	30		FDEERN
CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)Cc2ccccc2C#N)C1	ZINC000095083310	525025046	/nfs/dbraw/zinc/02/50/46/525025046.db2.gz	WBGYLWFRDPGLKV-OAHLLOKOSA-N	0	0	365.455	1.987	10	30		FDEERN
CC[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[N@@H+]1CCOC	ZINC000175979367	525036589	/nfs/dbraw/zinc/03/65/89/525036589.db2.gz	LEYUYRZDBWPFKB-QGZVFWFLSA-N	0	0	360.458	1.689	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1	ZINC000177780565	525344399	/nfs/dbraw/zinc/34/43/99/525344399.db2.gz	JVYYKVOUDAMCKX-YJBOKZPZSA-N	0	0	372.469	1.787	10	30		FDEERN
C=CCNC(=O)c1ccc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1	ZINC000177780592	525345840	/nfs/dbraw/zinc/34/58/40/525345840.db2.gz	JVYYKVOUDAMCKX-MAUKXSAKSA-N	0	0	372.469	1.787	10	30		FDEERN
C[C@@H]1CC[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)O1	ZINC000128714541	525572182	/nfs/dbraw/zinc/57/21/82/525572182.db2.gz	AVIUVLBYVZDFJN-CXAGYDPISA-N	0	0	353.426	1.942	10	30		FDEERN
C[C@@](C#N)(NC(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1)C1CC1	ZINC000106097490	525577238	/nfs/dbraw/zinc/57/72/38/525577238.db2.gz	BGXJTNDKTUSFJP-ICSRJNTNSA-N	0	0	356.470	1.146	10	30		FDEERN
N#Cc1ccc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)cc1Cl	ZINC000106193817	525663668	/nfs/dbraw/zinc/66/36/68/525663668.db2.gz	FQKSIWNUYLYINW-HNNXBMFYSA-N	0	0	359.817	1.748	10	30		FDEERN
CN(C)C(=O)[C@H]1CCCN1C(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000154885215	525671261	/nfs/dbraw/zinc/67/12/61/525671261.db2.gz	BEOWCVZHBWRMQV-MRXNPFEDSA-N	0	0	356.426	1.746	10	30		FDEERN
CN1CCO[C@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1	ZINC000170683733	525678087	/nfs/dbraw/zinc/67/80/87/525678087.db2.gz	BUWVDYUGUPKVHB-QGZVFWFLSA-N	0	0	355.394	1.791	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)ccc1F	ZINC000131333812	525846892	/nfs/dbraw/zinc/84/68/92/525846892.db2.gz	YLPULQYWYGIOIV-RYUDHWBXSA-N	0	0	356.419	1.539	10	30		FDEERN
C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1nnc2n1CCCC2	ZINC000156317013	526107338	/nfs/dbraw/zinc/10/73/38/526107338.db2.gz	PJTRTRZKVNBAGX-LBPRGKRZSA-N	0	0	352.398	1.093	10	30		FDEERN
N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCc2ncnn2C1	ZINC000171866235	526159659	/nfs/dbraw/zinc/15/96/59/526159659.db2.gz	NLCFZMNHIOIJEH-HNNXBMFYSA-N	0	0	356.455	1.697	10	30		FDEERN
C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCn2nc(CC)nc21	ZINC000185021324	536196017	/nfs/dbraw/zinc/19/60/17/536196017.db2.gz	ARYSNKZHORVOTD-CQSZACIVSA-N	0	0	367.409	1.442	10	30		FDEERN
N#Cc1cc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)ccc1F	ZINC000186268178	536230590	/nfs/dbraw/zinc/23/05/90/536230590.db2.gz	HZUMTNVCXWVQBL-ZFWWWQNUSA-N	0	0	373.409	1.932	10	30		FDEERN
N#Cc1cc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)ccc1Cl	ZINC000188013560	536280179	/nfs/dbraw/zinc/28/01/79/536280179.db2.gz	VEGLRMKODWKFNC-UHFFFAOYSA-N	0	0	360.801	1.277	10	30		FDEERN
C[C@H]1CN(CC(=O)Nc2ccccc2SCC#N)C[C@H]1N1CCOCC1	ZINC000246523389	536973267	/nfs/dbraw/zinc/97/32/67/536973267.db2.gz	RLFTYPSVKGMSIQ-DOTOQJQBSA-N	0	0	374.510	1.893	10	30		FDEERN
CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000189348467	537031153	/nfs/dbraw/zinc/03/11/53/537031153.db2.gz	JNBYXSOKTNRHSC-LSDHHAIUSA-N	0	0	361.446	1.825	10	30		FDEERN
Cc1nnc([C@@H]2CN([C@H](C)C(=O)N(CCC#N)c3ccccc3)CCO2)[nH]1	ZINC000246903382	537048374	/nfs/dbraw/zinc/04/83/74/537048374.db2.gz	HXFMHYPESWSHPA-PBHICJAKSA-N	0	0	368.441	1.822	10	30		FDEERN
Cn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)CC1(C#N)CCCC1	ZINC000595344128	552531166	/nfs/dbraw/zinc/53/11/66/552531166.db2.gz	LYZNFUSCRPDPRX-UONOGXRCSA-N	0	0	352.460	1.501	10	30		FDEERN
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@@H]2C(=O)CO	ZINC000004791998	560200049	/nfs/dbraw/zinc/20/00/49/560200049.db2.gz	WPZNCXVXQMWZQE-FDNLDUMUSA-N	0	0	362.466	1.638	10	30	in-vitro	FDEERN
CCN(Cc1nnc(C)o1)[C@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1O	ZINC000328626897	571324885	/nfs/dbraw/zinc/32/48/85/571324885.db2.gz	FPBSKKPVISWFSG-DLBZAZTESA-N	0	0	359.405	1.456	10	30		FDEERN
Cc1nnc(C)n1/N=C/c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1	ZINC000003322358	219499959	/nfs/dbraw/zinc/49/99/59/219499959.db2.gz	BTXQOEWDTIURDW-FRKPEAEDSA-N	0	0	358.387	1.965	10	30		FDEERN
C=C1CC[C@@H]2[C@@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@@H]1C/C=C1\C(=O)OC[C@@H]1O	ZINC000019798092	220298715	/nfs/dbraw/zinc/29/87/15/220298715.db2.gz	BOJKULTULYSRAS-PZQRKCQBSA-N	0	0	350.455	1.963	10	30		FDEERN
Cc1cnn(CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1	ZINC000172291694	258272686	/nfs/dbraw/zinc/27/26/86/258272686.db2.gz	NQRFLGQAWDFGQF-UHFFFAOYSA-N	0	0	356.405	1.734	10	30		FDEERN
CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)n1	ZINC000091249341	172281845	/nfs/dbraw/zinc/28/18/45/172281845.db2.gz	JSMROIDBXOCALS-KDOFPFPSSA-N	0	0	359.430	1.428	10	30		FDEERN
C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1N1CCOCC1	ZINC000176991657	174098719	/nfs/dbraw/zinc/09/87/19/174098719.db2.gz	OFAHVQJINNTRIG-WBMJQRKESA-N	0	0	353.419	1.039	10	30		FDEERN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000177057729	174104220	/nfs/dbraw/zinc/10/42/20/174104220.db2.gz	KVDWOVPPXCQJNK-MSOLQXFVSA-N	0	0	354.410	1.678	10	30		FDEERN
C[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1N1CCOCC1	ZINC000177266207	174119217	/nfs/dbraw/zinc/11/92/17/174119217.db2.gz	HAGWQJBHXONPNP-YOEHRIQHSA-N	0	0	353.426	1.761	10	30		FDEERN
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000177396445	174128440	/nfs/dbraw/zinc/12/84/40/174128440.db2.gz	FLXUPLMHFRFEKR-OAHLLOKOSA-N	0	0	356.426	1.592	10	30		FDEERN
Cc1nnc([C@H]2CN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)[nH]1	ZINC000180238739	258364959	/nfs/dbraw/zinc/36/49/59/258364959.db2.gz	HGZYVCFRTQKJKH-QGZVFWFLSA-N	0	0	363.425	1.959	10	30		FDEERN
Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CCO2)[nH]1	ZINC000173734813	258309004	/nfs/dbraw/zinc/30/90/04/258309004.db2.gz	SSRYNRFXQWQNPC-CYBMUJFWSA-N	0	0	367.818	1.400	10	30		FDEERN
N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](n2cncn2)C1	ZINC000178824236	258336868	/nfs/dbraw/zinc/33/68/68/258336868.db2.gz	MHDKTDNIJCNRLN-LLVKDONJSA-N	0	0	351.819	1.829	10	30		FDEERN
CS(=O)(=O)CC1(CNc2ccc([N+](=O)[O-])cc2C#N)CCOCC1	ZINC000301843079	259034340	/nfs/dbraw/zinc/03/43/40/259034340.db2.gz	QZJVSHLYIXAGOX-UHFFFAOYSA-N	0	0	353.400	1.720	10	30		FDEERN
CC(C)(C)OC(=O)C(C)(C)O/N=C/C(=O)OCCc1csc(N)n1	ZINC000083263289	518775403	/nfs/dbraw/zinc/77/54/03/518775403.db2.gz	RGHHMNDFKAYQNQ-CAOOACKPSA-N	0	0	357.432	1.934	10	30		FDEERN
C[C@H](CNC(=O)NCCSCc1ccccc1C#N)N1CCOCC1	ZINC000048105209	522669743	/nfs/dbraw/zinc/66/97/43/522669743.db2.gz	DTNVBUNCMKUWFD-OAHLLOKOSA-N	0	0	362.499	1.811	10	30		FDEERN
C=CCCO[C@@H](C)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1	ZINC000066313820	523013220	/nfs/dbraw/zinc/01/32/20/523013220.db2.gz	ZDBIYDDFQRTNLK-HNNXBMFYSA-N	0	0	356.430	1.292	10	30		FDEERN
N#Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCSCC2)c1	ZINC000066936928	523275341	/nfs/dbraw/zinc/27/53/41/523275341.db2.gz	DVFUXAFWDLRLNZ-HNNXBMFYSA-N	0	0	365.480	1.287	10	30		FDEERN
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC[C@H]2CO)c1C	ZINC000120966560	524112217	/nfs/dbraw/zinc/11/22/17/524112217.db2.gz	CNGPQDNONOHAHN-INIZCTEOSA-N	0	0	367.409	1.283	10	30		FDEERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1c(C)nn(CCC#N)c1C	ZINC000081587336	524156606	/nfs/dbraw/zinc/15/66/06/524156606.db2.gz	NZCJFMQRHFFTCK-INIZCTEOSA-N	0	0	355.446	1.897	10	30		FDEERN
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000172206992	524159835	/nfs/dbraw/zinc/15/98/35/524159835.db2.gz	TWKRNOPZKBTGGI-CQSZACIVSA-N	0	0	367.409	1.645	10	30		FDEERN
N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cn1	ZINC000158607123	524496771	/nfs/dbraw/zinc/49/67/71/524496771.db2.gz	ZYLFOQHRTHWDMM-MLGOLLRUSA-N	0	0	365.361	1.728	10	30		FDEERN
C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCc3ncnn3C2)cc1OC	ZINC000112659137	524528579	/nfs/dbraw/zinc/52/85/79/524528579.db2.gz	UCCKPIRADINRCW-BOSPYUDASA-N	0	0	354.410	1.996	10	30		FDEERN
C=CCn1c(C)nnc1S(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1	ZINC000174632125	524664344	/nfs/dbraw/zinc/66/43/44/524664344.db2.gz	HFTSJTXJGVHUEK-QWHCGFSZSA-N	0	0	362.455	1.812	10	30		FDEERN
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)c1	ZINC000176104389	525053715	/nfs/dbraw/zinc/05/37/15/525053715.db2.gz	PTRJOHUARVOHJB-HNNXBMFYSA-N	0	0	355.398	1.823	10	30		FDEERN
C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000164420965	525504827	/nfs/dbraw/zinc/50/48/27/525504827.db2.gz	CBYFOTSFXUUNEK-YJBOKZPZSA-N	0	0	357.454	1.895	10	30		FDEERN
CC(C)(C)n1cc(CN2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)cn1	ZINC000165307319	525547557	/nfs/dbraw/zinc/54/75/57/525547557.db2.gz	MROMLAOOJZJAKF-UHFFFAOYSA-N	0	0	365.503	1.389	10	30		FDEERN
Cc1cnn(C[C@@H]2CN(CCS(=O)(=O)c3cccc(C#N)c3)CCO2)c1	ZINC000128640083	525564668	/nfs/dbraw/zinc/56/46/68/525564668.db2.gz	AOCLNHCMVPSOHL-KRWDZBQOSA-N	0	0	374.466	1.238	10	30		FDEERN
C=CCNc1ncc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)s1	ZINC000128821837	525583957	/nfs/dbraw/zinc/58/39/57/525583957.db2.gz	RQGNPGHBIOTOPI-UHFFFAOYSA-N	0	0	362.459	1.781	10	30		FDEERN
C=CCN(CC=C)C(=O)[C@H](C)N1CCN(c2nc(C)cc(OCC)n2)CC1	ZINC000106153645	525636190	/nfs/dbraw/zinc/63/61/90/525636190.db2.gz	NOWLLPXPQVETER-KRWDZBQOSA-N	0	0	373.501	1.895	10	30		FDEERN
CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cc1C#N	ZINC000119114421	525639844	/nfs/dbraw/zinc/63/98/44/525639844.db2.gz	PKWNUNCZBSDZMV-QGZVFWFLSA-N	0	0	370.453	1.981	10	30		FDEERN
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000181809182	525940492	/nfs/dbraw/zinc/94/04/92/525940492.db2.gz	OTAPRZYADAGYRT-ZIAGYGMSSA-N	0	0	367.409	1.666	10	30		FDEERN
N#CCc1ccc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1	ZINC000133088041	526022122	/nfs/dbraw/zinc/02/21/22/526022122.db2.gz	STPCQUADOPTGPU-UHFFFAOYSA-N	0	0	362.397	1.544	10	30		FDEERN
C=CCNS(=O)(=O)c1cc(C(=O)N2CCS[C@@H](C)C2)ccc1F	ZINC000171570023	526037955	/nfs/dbraw/zinc/03/79/55/526037955.db2.gz	OUNUXVVMMBNEKS-NSHDSACASA-N	0	0	358.460	1.868	10	30		FDEERN
Cc1nc(CN2CCCN(C(=O)CCc3ccc(C#N)cc3)CC2)no1	ZINC000171864272	526157383	/nfs/dbraw/zinc/15/73/83/526157383.db2.gz	VMTMGVYKANHIAC-UHFFFAOYSA-N	0	0	353.426	1.917	10	30		FDEERN
CCn1cc(CN2CCCN(C(=O)COc3ccccc3C#N)CC2)cn1	ZINC000109663101	526159272	/nfs/dbraw/zinc/15/92/72/526159272.db2.gz	CGLHUAFKZRDMNZ-UHFFFAOYSA-N	0	0	367.453	1.888	10	30		FDEERN
COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1	ZINC000185903497	536221068	/nfs/dbraw/zinc/22/10/68/536221068.db2.gz	AVECDVMTEGNWHI-CQSZACIVSA-N	0	0	361.427	1.259	10	30		FDEERN
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	ZINC000188962643	536978065	/nfs/dbraw/zinc/97/80/65/536978065.db2.gz	CZKIQPQZCFAHQA-OASPWFOLSA-N	0	0	356.209	1.656	10	30		FDEERN
N#Cc1ccccc1NC(=O)CCCC(=O)N1CC(NC(=O)C2CC2)C1	ZINC000189440056	537046368	/nfs/dbraw/zinc/04/63/68/537046368.db2.gz	UOAFLMFQVLGHPS-UHFFFAOYSA-N	0	0	354.410	1.404	10	30		FDEERN
C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@H](c1cccs1)N1CCOCC1	ZINC000247780039	537149716	/nfs/dbraw/zinc/14/97/16/537149716.db2.gz	RPVSZABXHGFSAW-JKSUJKDBSA-N	0	0	364.515	1.814	10	30		FDEERN
C[C@@H]1CN([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)c2cccs2)CCO1	ZINC000248357558	537173541	/nfs/dbraw/zinc/17/35/41/537173541.db2.gz	PQBDXHRGDMIJAA-QLFBSQMISA-N	0	0	364.471	1.444	10	30		FDEERN
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1	ZINC000248565145	537192604	/nfs/dbraw/zinc/19/26/04/537192604.db2.gz	NFJNGLWGEPIKEX-GJZGRUSLSA-N	0	0	356.426	1.613	10	30		FDEERN
CCN1CCO[C@@H](CNC(=O)c2cc(C#N)oc2C)[C@@H]1c1cnn(C)c1	ZINC000598141218	552867894	/nfs/dbraw/zinc/86/78/94/552867894.db2.gz	AFLWPKHKLOTKQW-IRXDYDNUSA-N	0	0	357.414	1.385	10	30		FDEERN
C=C(Br)COC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1	ZINC000172099531	672063515	/nfs/dbraw/zinc/06/35/15/672063515.db2.gz	PKPCUQLYTWTWRW-DGCLKSJQSA-N	0	0	356.220	1.781	10	30		FDEERN
C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1N1CCOCC1	ZINC000246101921	672489752	/nfs/dbraw/zinc/48/97/52/672489752.db2.gz	MPICTOVTVQTLDB-SWLSCSKDSA-N	0	0	369.874	1.553	10	30		FDEERN
CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cc(C#N)ccc2C)C1	ZINC000262465334	672794223	/nfs/dbraw/zinc/79/42/23/672794223.db2.gz	LNXQENUYRUISLM-UHFFFAOYSA-N	0	0	351.428	1.083	10	30		FDEERN
CNC(=O)[C@H]1CN(C(=O)c2csc3cncn32)C[C@@H]1c1cnn(C)c1	ZINC000329155120	676622969	/nfs/dbraw/zinc/62/29/69/676622969.db2.gz	BMDFSEKDVZLXCC-NEPJUHHUSA-N	0	0	358.427	1.571	10	30		FDEERN
O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCC(Cn2cccn2)CC1	ZINC000330159403	676675860	/nfs/dbraw/zinc/67/58/60/676675860.db2.gz	QWJFTOPKQANHEE-UHFFFAOYSA-N	0	0	357.340	1.846	10	30		FDEERN