smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc(Br)cc1CNCCC	ZINC000006430877	170200909	/nfs/dbraw/zinc/20/09/09/170200909.db2.gz	NAHFBOMXIXHCRP-UHFFFAOYSA-N	0	3	284.197	3.514	10	30		CHEEHN
Cn1cccc1[C@H](C#N)C1CCN(Cc2ccccc2)CC1	ZINC000021987885	171345555	/nfs/dbraw/zinc/34/55/55/171345555.db2.gz	BFRLWQIDHZHABS-GOSISDBHSA-N	0	3	293.414	3.544	10	30		CHEEHN
Cn1cccc1[C@@H](C#N)C1CCN(Cc2ccccc2)CC1	ZINC000021987883	171345637	/nfs/dbraw/zinc/34/56/37/171345637.db2.gz	BFRLWQIDHZHABS-SFHVURJKSA-N	0	3	293.414	3.544	10	30		CHEEHN
CCCn1ccc(CN[C@H](C)c2ccc(C#N)cc2)c1	ZINC000091010873	260264500	/nfs/dbraw/zinc/26/45/00/260264500.db2.gz	YOFHWAZUTYVYQU-CQSZACIVSA-N	0	3	267.376	3.621	10	30		CHEEHN
CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1	ZINC000185849969	327848048	/nfs/dbraw/zinc/84/80/48/327848048.db2.gz	HDYAHJGGWOVGHM-BJJXKVORSA-N	0	3	287.363	3.718	10	30		CHEEHN
C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CCC[C@H]1C#N	ZINC000300417645	332815155	/nfs/dbraw/zinc/81/51/55/332815155.db2.gz	WQRUUVNMWUVSGG-OSAQELSMSA-N	0	3	262.784	3.553	10	30		CHEEHN
C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)c(F)c1	ZINC000185759248	333148361	/nfs/dbraw/zinc/14/83/61/333148361.db2.gz	CINIDIUHQSQCBZ-GMXVVIOVSA-N	0	3	264.319	3.698	10	30		CHEEHN
N#CC(C(=O)C1CCCC1)c1ccc(F)cc1Cl	ZINC000062610217	526505184	/nfs/dbraw/zinc/50/51/84/526505184.db2.gz	AHOUJXLFWDKXIK-LBPRGKRZSA-N	0	3	265.715	3.846	10	30		CHEEHN
C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)c1ccc(C#N)s1	ZINC000245839578	329754574	/nfs/dbraw/zinc/75/45/74/329754574.db2.gz	CFZVXDGZEUNLKA-SLEUVZQESA-N	0	3	298.411	3.835	10	30		CHEEHN
C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)c1ccc(C#N)s1	ZINC000183355203	329247399	/nfs/dbraw/zinc/24/73/99/329247399.db2.gz	CFZVXDGZEUNLKA-HUBLWGQQSA-N	0	3	298.411	3.835	10	30		CHEEHN
CC[C@H](CC#N)N[C@@H]1CCC[C@H]1c1ccc(F)cc1	ZINC000248740702	329898447	/nfs/dbraw/zinc/89/84/47/329898447.db2.gz	RAFFJOGDJYKSTD-OWCLPIDISA-N	0	3	260.356	3.744	10	30		CHEEHN
C[C@H]1CCC[C@H](SCc2ccc(C#CCN)cc2)C1	ZINC000054694520	524210802	/nfs/dbraw/zinc/21/08/02/524210802.db2.gz	KIWVWQZASHRMAI-YOEHRIQHSA-N	0	3	273.445	3.809	10	30		CHEEHN
C[C@@H](C#N)Oc1ccc(Cl)cc1CNC(C)(C)C	ZINC000062730869	526238892	/nfs/dbraw/zinc/23/88/92/526238892.db2.gz	JFVWNAPFQFLZPI-JTQLQIEISA-N	0	3	266.772	3.519	10	30		CHEEHN
Cc1csc([C@H]2CCCN(Cc3cccc(C#N)c3)C2)n1	ZINC000156971329	526442411	/nfs/dbraw/zinc/44/24/11/526442411.db2.gz	VBLQXVKRIVGJBG-INIZCTEOSA-N	0	3	297.427	3.703	10	30		CHEEHN
N#CC(C(=O)c1ccccc1Cl)c1cccs1	ZINC000052902866	526492237	/nfs/dbraw/zinc/49/22/37/526492237.db2.gz	HSDLBWVLVKHREM-SNVBAGLBSA-N	0	3	261.733	3.892	10	30		CHEEHN
CC[C@H]1CN(CCCCC2(C#N)CCC2)C[C@H](CC)O1	ZINC000675079054	567025805	/nfs/dbraw/zinc/02/58/05/567025805.db2.gz	DVWGSPIRYKXBOV-HOTGVXAUSA-N	0	3	278.440	3.740	10	30		CHEEHN
CCCCCCCNCc1nn(C)nc1-c1ccccc1	ZINC000103577622	567915652	/nfs/dbraw/zinc/91/56/52/567915652.db2.gz	UQOAUHJERQEKJK-UHFFFAOYSA-N	0	3	286.423	3.542	10	30		CHEEHN
C=CCSc1nc2ccccc2n1CN(CC)CC	ZINC000035575586	172271733	/nfs/dbraw/zinc/27/17/33/172271733.db2.gz	AYPANJVIBMBFOH-UHFFFAOYSA-N	0	3	275.421	3.614	10	30		CHEEHN
C[C@@H](CCC#N)N[C@@H](C)c1ccc(Br)cc1	ZINC000298576824	263222660	/nfs/dbraw/zinc/22/26/60/263222660.db2.gz	QSVUDTJPTKMRNN-QWRGUYRKSA-N	0	3	281.197	3.792	10	30		CHEEHN
C[C@H](CCc1ccccc1)N[C@@H]1CCCC[C@@H]1C#N	ZINC000054827606	524246868	/nfs/dbraw/zinc/24/68/68/524246868.db2.gz	YNYFIAYMGXINLJ-DJIMGWMZSA-N	0	3	256.393	3.680	10	30		CHEEHN
N#CC(C(=O)c1cc2c(s1)CCC2)c1cccs1	ZINC000052902803	526492972	/nfs/dbraw/zinc/49/29/72/526492972.db2.gz	GLACMSHCSWKUNX-SNVBAGLBSA-N	0	3	273.382	3.788	10	30		CHEEHN
N#Cc1ccc(CNC[C@H]2C[C@]23CCCc2ccccc23)o1	ZINC000151420084	526622978	/nfs/dbraw/zinc/62/29/78/526622978.db2.gz	OTFXTFQDGVKFEE-DNVCBOLYSA-N	0	3	292.382	3.535	10	30		CHEEHN
Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CCC[C@@H]1C#N)CC3	ZINC000329612767	1119451541	/nfs/dbraw/zinc/45/15/41/1119451541.db2.gz	DRVBOBLNKKEPLJ-CKEIUWERSA-N	0	3	293.414	3.616	10	30		CHEEHN
CCCn1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c1	ZINC000091010868	260264849	/nfs/dbraw/zinc/26/48/49/260264849.db2.gz	YOFHWAZUTYVYQU-AWEZNQCLSA-N	0	3	267.376	3.621	10	30		CHEEHN
C[C@@H](N[C@@H](C)CCC#N)c1cccc(Br)c1	ZINC000336722911	328158849	/nfs/dbraw/zinc/15/88/49/328158849.db2.gz	AZCGGOOCFQGUJN-WDEREUQCSA-N	0	3	281.197	3.792	10	30		CHEEHN
N#C[C@H]1CCC[C@@H]1NC1CCC(c2ccccc2)CC1	ZINC000061890951	333474811	/nfs/dbraw/zinc/47/48/11/333474811.db2.gz	NUWSBNAEXMPXEJ-FPQWYMTMSA-N	0	3	268.404	3.995	10	30		CHEEHN
C=CCCC[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000398188341	329438663	/nfs/dbraw/zinc/43/86/63/329438663.db2.gz	QOSGDPBQTANECT-CHWSQXEVSA-N	0	3	262.353	3.990	10	30		CHEEHN
N#C[C@H]1CCC[C@@H]1NCC1CCC(C(F)(F)F)CC1	ZINC000468486688	331435725	/nfs/dbraw/zinc/43/57/25/331435725.db2.gz	HYCDZBPFKPUWQJ-KPFVRQRISA-N	0	3	274.330	3.637	10	30		CHEEHN
CC#CC[C@@H](NCCC)c1ccc(F)c(Cl)c1	ZINC000062792678	519345931	/nfs/dbraw/zinc/34/59/31/519345931.db2.gz	YFEXZUDYTGZYDC-CQSZACIVSA-N	0	3	253.748	3.933	10	30		CHEEHN
Cc1ccc(C(=O)C(C#N)c2cccs2)cc1F	ZINC000052902690	526241075	/nfs/dbraw/zinc/24/10/75/526241075.db2.gz	ZZCNOLQNNXPFBK-LLVKDONJSA-N	0	3	259.305	3.686	10	30		CHEEHN
Cc1csc([C@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1	ZINC000156980651	526442024	/nfs/dbraw/zinc/44/20/24/526442024.db2.gz	HUANGJINBNHEFI-INIZCTEOSA-N	0	3	297.427	3.703	10	30		CHEEHN
N#C[C@@H]1CCCCC[C@H]1NCCc1ccc(Cl)cc1	ZINC000054826335	526499359	/nfs/dbraw/zinc/49/93/59/526499359.db2.gz	RNZMFEXCZPTTRV-GOEBONIOSA-N	0	3	276.811	3.945	10	30		CHEEHN
SCCN(Cc1ccccc1)Cc1ccccc1	ZINC000005138978	170069869	/nfs/dbraw/zinc/06/98/69/170069869.db2.gz	ATHYIAZESPZDMX-UHFFFAOYSA-N	0	3	257.402	3.619	10	30		CHEEHN
C[C@H](CCC#N)N[C@@H](C)c1ccc(Br)cc1	ZINC000298576818	263222875	/nfs/dbraw/zinc/22/28/75/263222875.db2.gz	QSVUDTJPTKMRNN-MNOVXSKESA-N	0	3	281.197	3.792	10	30		CHEEHN
N#C[C@@H]1CCC[C@@H](N[C@H]2CCCc3cc(F)ccc32)C1	ZINC000248853701	329900803	/nfs/dbraw/zinc/90/08/03/329900803.db2.gz	PBDNPZSRSTUYPW-VMGRFDJRSA-N	0	3	272.367	3.875	10	30		CHEEHN
Cc1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1F	ZINC000185862047	333150532	/nfs/dbraw/zinc/15/05/32/333150532.db2.gz	SNCVRVAHKRAGRR-KCQAQPDRSA-N	0	3	260.356	3.867	10	30		CHEEHN
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1nc(C#N)cs1	ZINC000386054644	336165663	/nfs/dbraw/zinc/16/56/63/336165663.db2.gz	WDAQQXVPBTYAKG-KWCYVHTRSA-N	0	3	277.437	3.565	10	30		CHEEHN
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1nc(C#N)cs1	ZINC000386054649	336165686	/nfs/dbraw/zinc/16/56/86/336165686.db2.gz	WDAQQXVPBTYAKG-XBFCOCLRSA-N	0	3	277.437	3.565	10	30		CHEEHN
C[C@H](C#N)Oc1ccc(Cl)cc1CNC(C)(C)C	ZINC000062730870	525924135	/nfs/dbraw/zinc/92/41/35/525924135.db2.gz	JFVWNAPFQFLZPI-SNVBAGLBSA-N	0	3	266.772	3.519	10	30		CHEEHN
C=C(C)CN[C@@H](C)c1cccc(Br)c1	ZINC000051753362	566862761	/nfs/dbraw/zinc/86/27/61/566862761.db2.gz	GLXPRQGJHBWXPC-JTQLQIEISA-N	0	3	254.171	3.676	10	30		CHEEHN
C#CCOc1c(Cl)cc(Cl)cc1CNCCC	ZINC000037711475	570411896	/nfs/dbraw/zinc/41/18/96/570411896.db2.gz	ILFRYOMVNBPVSC-UHFFFAOYSA-N	0	3	272.175	3.505	10	30		CHEEHN
CCCCCCCCCc1cccc(N2CCNCC2)n1	ZINC000043504303	134905280	/nfs/dbraw/zinc/90/52/80/134905280.db2.gz	UPOXWKOGZDJMAW-UHFFFAOYSA-N	0	3	289.467	3.784	10	30		CHEEHN
C=CCNCc1c(OCCC)ccc2ccccc21	ZINC000020930644	171281215	/nfs/dbraw/zinc/28/12/15/171281215.db2.gz	QTQCSUGWTIPWGL-UHFFFAOYSA-N	0	3	255.361	3.904	10	30		CHEEHN
CC(C)(CN[C@@H]1CCCC[C@H]1C#N)c1ccccc1	ZINC000054825789	519269159	/nfs/dbraw/zinc/26/91/59/519269159.db2.gz	ZCVZUOGDNWUFEW-GOEBONIOSA-N	0	3	256.393	3.636	10	30		CHEEHN
C[C@@H](CCc1ccccc1)N[C@@H]1CCCC[C@@H]1C#N	ZINC000054827603	524536624	/nfs/dbraw/zinc/53/66/24/524536624.db2.gz	YNYFIAYMGXINLJ-USXIJHARSA-N	0	3	256.393	3.680	10	30		CHEEHN
N#CCCCCOc1c(Cl)cc(Cl)cc1CN	ZINC000049578334	526444438	/nfs/dbraw/zinc/44/44/38/526444438.db2.gz	BVIHTORASSCVNK-UHFFFAOYSA-N	0	3	273.163	3.525	10	30		CHEEHN
N#C[C@@H]1CCCCC[C@@H]1NCCc1ccc(Cl)cc1	ZINC000054826336	526498880	/nfs/dbraw/zinc/49/88/80/526498880.db2.gz	RNZMFEXCZPTTRV-HOCLYGCPSA-N	0	3	276.811	3.945	10	30		CHEEHN
C=CC[C@H]1C=C(C)C[C@H](CC=C)N1Cc1cc(C)n[nH]1	ZINC000055224968	566868541	/nfs/dbraw/zinc/86/85/41/566868541.db2.gz	TZHAWTULZQVZKJ-IRXDYDNUSA-N	0	3	271.408	3.760	10	30		CHEEHN
N#CCCCCN1CCC[C@@H](c2cc(F)ccc2F)C1	ZINC000191685829	1125327427	/nfs/dbraw/zinc/32/74/27/1125327427.db2.gz	ASGZFGLOQVWWFM-CYBMUJFWSA-N	0	3	278.346	3.838	10	30		CHEEHN
C#CCN[C@H](C)c1ccc(OCCC)c(OCCC)c1	ZINC000019875585	170904931	/nfs/dbraw/zinc/90/49/31/170904931.db2.gz	XWWYPMFKSAILOI-CQSZACIVSA-N	0	3	275.392	3.548	10	30		CHEEHN
C[C@H](COCc1ccccc1)N[C@@H](C)c1ccc(C#N)cc1	ZINC000181833361	261435782	/nfs/dbraw/zinc/43/57/82/261435782.db2.gz	JTBFRLVPMGAWJG-CVEARBPZSA-N	0	3	294.398	3.814	10	30		CHEEHN
Cc1cccc(CC[C@H](C)N[C@@H]2CCC[C@H]2C#N)c1	ZINC000251192631	334357976	/nfs/dbraw/zinc/35/79/76/334357976.db2.gz	OKOQJPMAVYBOID-BHYGNILZSA-N	0	3	256.393	3.598	10	30		CHEEHN
N#C[C@@H]1CCCC[C@H]1NC12CC3CC(CC(C3)C1)C2	ZINC000054822928	526500078	/nfs/dbraw/zinc/50/00/78/526500078.db2.gz	MEUULHNMXFVTHC-TZZLPOFGSA-N	0	3	258.409	3.627	10	30		CHEEHN
N#C[C@H]1CCCC[C@@H]1NC12CC3CC(CC(C3)C1)C2	ZINC000054822929	526512634	/nfs/dbraw/zinc/51/26/34/526512634.db2.gz	MEUULHNMXFVTHC-ZDNWDLKRSA-N	0	3	258.409	3.627	10	30		CHEEHN
CCCCCCCCCCCCCC(=O)[N-]C(N)=[NH2+]	ZINC000103600279	567915553	/nfs/dbraw/zinc/91/55/53/567915553.db2.gz	MQQHKNPPDJSRCT-UHFFFAOYSA-N	0	3	269.433	3.697	10	30		CHEEHN
C=CCOc1c(CNC(C)(C)C)cccc1OCC	ZINC000006539459	170211696	/nfs/dbraw/zinc/21/16/96/170211696.db2.gz	YDBVAEQDQSURDX-UHFFFAOYSA-N	0	3	263.381	3.538	10	30		CHEEHN
C#CCOc1ccc(Cl)cc1CNC(C)(C)CC	ZINC000045946026	175388008	/nfs/dbraw/zinc/38/80/08/175388008.db2.gz	GDAGLKSLRAOYNG-UHFFFAOYSA-N	0	3	265.784	3.630	10	30		CHEEHN
C[C@@H](CCC#N)N[C@@H](C)c1cccc(Br)c1	ZINC000336722910	328158825	/nfs/dbraw/zinc/15/88/25/328158825.db2.gz	AZCGGOOCFQGUJN-QWRGUYRKSA-N	0	3	281.197	3.792	10	30		CHEEHN
CNCc1cc(Cl)cc(Cl)c1OCCCCC#N	ZINC000049578335	522111066	/nfs/dbraw/zinc/11/10/66/522111066.db2.gz	VBQQYTXWWLPBBE-UHFFFAOYSA-N	0	3	287.190	3.785	10	30		CHEEHN
Cc1csc(C2CCN(Cc3cccc(C#N)c3)CC2)n1	ZINC000156701783	526331114	/nfs/dbraw/zinc/33/11/14/526331114.db2.gz	GPVPCMYDOXBYQY-UHFFFAOYSA-N	0	3	297.427	3.703	10	30		CHEEHN
N#C[C@@H]1CCCCC[C@H]1NCCCc1ccccc1	ZINC000054825603	526499595	/nfs/dbraw/zinc/49/95/95/526499595.db2.gz	PGCHNUBQOWNPCK-DLBZAZTESA-N	0	3	256.393	3.681	10	30		CHEEHN
N#CC(C(=O)c1ccccc1Cl)c1cccs1	ZINC000052902864	526509068	/nfs/dbraw/zinc/50/90/68/526509068.db2.gz	HSDLBWVLVKHREM-JTQLQIEISA-N	0	3	261.733	3.892	10	30		CHEEHN
C=CCNCc1c(OC(C)C)ccc2ccccc21	ZINC000040729646	174388168	/nfs/dbraw/zinc/38/81/68/174388168.db2.gz	JZDCYZRSVVLGCC-UHFFFAOYSA-N	0	3	255.361	3.903	10	30		CHEEHN
CC[C@@H](C#N)Oc1c2ccccc2ccc1[C@@H](C)N	ZINC000043538916	175064052	/nfs/dbraw/zinc/06/40/52/175064052.db2.gz	LUYOGGDWWDGOEH-YPMHNXCESA-N	0	3	254.333	3.540	10	30		CHEEHN
C=CCCC[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000398188345	329438820	/nfs/dbraw/zinc/43/88/20/329438820.db2.gz	QOSGDPBQTANECT-STQMWFEESA-N	0	3	262.353	3.990	10	30		CHEEHN
C[C@@H](CCc1ccccc1)N[C@H]1CCCC[C@@H]1C#N	ZINC000054827609	524536510	/nfs/dbraw/zinc/53/65/10/524536510.db2.gz	YNYFIAYMGXINLJ-UAGQMJEPSA-N	0	3	256.393	3.680	10	30		CHEEHN
C=C(Br)COc1ccc(C)cc1CNC1CC1	ZINC000071406925	176156140	/nfs/dbraw/zinc/15/61/40/176156140.db2.gz	WHTVRRPKGRIMFY-UHFFFAOYSA-N	0	3	296.208	3.534	10	30		CHEEHN
C#CCOc1cccc(CN[C@@H](C)c2ccccc2)c1	ZINC000045945581	330350075	/nfs/dbraw/zinc/35/00/75/330350075.db2.gz	YALKXVYDUHONJV-HNNXBMFYSA-N	0	3	265.356	3.549	10	30		CHEEHN
C=C(C)COc1cc(OC)ccc1CNC(C)(C)C	ZINC000062733128	518611518	/nfs/dbraw/zinc/61/15/18/518611518.db2.gz	QFWYUGRUUOQTGB-UHFFFAOYSA-N	0	3	263.381	3.538	10	30		CHEEHN
N#Cc1cccc(OCCCN2CCC[C@H]2c2ccco2)c1	ZINC000156420117	526725913	/nfs/dbraw/zinc/72/59/13/526725913.db2.gz	BDFBRFWRIOUCQE-KRWDZBQOSA-N	0	3	296.370	3.757	10	30		CHEEHN
N#Cc1cccc(OCCCN2CCC[C@@H]2c2ccco2)c1	ZINC000156419997	526725962	/nfs/dbraw/zinc/72/59/62/526725962.db2.gz	BDFBRFWRIOUCQE-QGZVFWFLSA-N	0	3	296.370	3.757	10	30		CHEEHN
COc1ccc(CNC2=NC[C@@H](c3ccccc3)S2)cc1	ZINC000035082550	171967940	/nfs/dbraw/zinc/96/79/40/171967940.db2.gz	UMLVGSWHHBYYAL-INIZCTEOSA-N	0	3	298.411	3.629	10	30		CHEEHN
C=CCN(CC=C)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O	ZINC000053926792	175551931	/nfs/dbraw/zinc/55/19/31/175551931.db2.gz	QJJVQMVYTAUOFH-GJZGRUSLSA-N	0	3	263.425	3.692	10	30		CHEEHN
C[C@@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)cc1F	ZINC000302032608	261345955	/nfs/dbraw/zinc/34/59/55/261345955.db2.gz	SOOSMCDQEIWFJT-AWEZNQCLSA-N	0	3	297.377	3.630	10	30		CHEEHN
N#C[C@@H]1CCC[C@@H]1N[C@H]1CCCC[C@@H]1c1ccccc1	ZINC000250816810	334351077	/nfs/dbraw/zinc/35/10/77/334351077.db2.gz	PEAYBJIJRBWORT-MHORFTMASA-N	0	3	268.404	3.995	10	30		CHEEHN
C[C@H](CCc1ccccc1)N[C@H]1CCCC[C@@H]1C#N	ZINC000054827611	524249133	/nfs/dbraw/zinc/24/91/33/524249133.db2.gz	YNYFIAYMGXINLJ-OIISXLGYSA-N	0	3	256.393	3.680	10	30		CHEEHN
N#CC(C(=O)C1CCCC1)c1ccc(F)cc1Cl	ZINC000062610213	526490301	/nfs/dbraw/zinc/49/03/01/526490301.db2.gz	AHOUJXLFWDKXIK-GFCCVEGCSA-N	0	3	265.715	3.846	10	30		CHEEHN
C=C(C)CN[C@H](C)c1cccc(Br)c1	ZINC000051753364	566863164	/nfs/dbraw/zinc/86/31/64/566863164.db2.gz	GLXPRQGJHBWXPC-SNVBAGLBSA-N	0	3	254.171	3.676	10	30		CHEEHN
COc1ccc(Cl)cc1C(C#N)C(=O)CC(C)C	ZINC000037347204	173143693	/nfs/dbraw/zinc/14/36/93/173143693.db2.gz	MJKKJRRBGVLOGP-LBPRGKRZSA-N	0	3	265.740	3.571	10	30		CHEEHN
C#CCCOc1c(Cl)cc(Cl)cc1CNCC	ZINC000037711416	173631564	/nfs/dbraw/zinc/63/15/64/173631564.db2.gz	VCDAPCKCZXJCPG-UHFFFAOYSA-N	0	3	272.175	3.505	10	30		CHEEHN
Cc1ccc2c(c1)[C@H](NCc1cc(C#N)cs1)[C@@H](C)C2	ZINC000181149340	260572501	/nfs/dbraw/zinc/57/25/01/260572501.db2.gz	REOKNMJJTWRMOJ-YVEFUNNKSA-N	0	3	282.412	3.951	10	30		CHEEHN
N#Cc1cccc(CN[C@H]2CCCC[C@H]2C(F)(F)F)c1	ZINC000035257967	330245210	/nfs/dbraw/zinc/24/52/10/330245210.db2.gz	DFTAKHFCVSKTMC-KGLIPLIRSA-N	0	3	282.309	3.769	10	30		CHEEHN
C=C[C@@H](C)Oc1ccc(CNC2CC2)cc1Br	ZINC000062702354	519294009	/nfs/dbraw/zinc/29/40/09/519294009.db2.gz	NIKNLWXKZSEFKO-SNVBAGLBSA-N	0	3	296.208	3.654	10	30		CHEEHN
N#Cc1ccc(CNC[C@@H]2C[C@@]23CCCc2ccccc23)o1	ZINC000151420152	526623172	/nfs/dbraw/zinc/62/31/72/526623172.db2.gz	OTFXTFQDGVKFEE-KXBFYZLASA-N	0	3	292.382	3.535	10	30		CHEEHN
CN[C@@H](C)c1ccccc1Oc1ccccc1C#N	ZINC000034665523	171853444	/nfs/dbraw/zinc/85/34/44/171853444.db2.gz	BEWWSKLCFVCIGE-LBPRGKRZSA-N	0	3	252.317	3.631	10	30		CHEEHN
Cc1csc(C2CCN(CCCC(C)(C)C#N)CC2)n1	ZINC000174838335	329163961	/nfs/dbraw/zinc/16/39/61/329163961.db2.gz	HZOIHLKFZVQSKR-UHFFFAOYSA-N	0	3	291.464	3.961	10	30		CHEEHN
N#CC(C(=O)c1cc(F)cc(F)c1)c1cccs1	ZINC000052902767	526492690	/nfs/dbraw/zinc/49/26/90/526492690.db2.gz	ZLYXGFBTHFUDIH-LLVKDONJSA-N	0	3	263.268	3.516	10	30		CHEEHN
C=C(C)COCCNc1ccnc2c(C)cccc12	ZINC000301705914	526657865	/nfs/dbraw/zinc/65/78/65/526657865.db2.gz	IGSQQOLCOMSFNV-UHFFFAOYSA-N	0	3	256.349	3.548	10	30		CHEEHN
C=CCC[C@@H](CN(C)C)Oc1nc2ccccc2s1	ZINC000072411103	264268220	/nfs/dbraw/zinc/26/82/20/264268220.db2.gz	SDTXOLFLNCEBJQ-LBPRGKRZSA-N	0	3	276.405	3.572	10	30		CHEEHN
CC(C)[C@H](CN[C@@H]1CCC[C@@H]1C#N)c1ccccc1	ZINC000224372371	333219707	/nfs/dbraw/zinc/21/97/07/333219707.db2.gz	CEMKFJFFZMVYDU-IXDOHACOSA-N	0	3	256.393	3.708	10	30		CHEEHN
N#C[C@@H]1CCC[C@@H]1N[C@H]1CCCC[C@H]1c1ccccc1	ZINC000250816816	334351101	/nfs/dbraw/zinc/35/11/01/334351101.db2.gz	PEAYBJIJRBWORT-XSLAGTTESA-N	0	3	268.404	3.995	10	30		CHEEHN
C[C@H]1CCC[C@@H](SCc2cc(C#CCN)cs2)C1	ZINC000054694601	524154243	/nfs/dbraw/zinc/15/42/43/524154243.db2.gz	VLMJVVKCXRSJQP-GXTWGEPZSA-N	0	3	279.474	3.870	10	30		CHEEHN
Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CCC[C@H]1C#N)CC3	ZINC000329612773	1119451322	/nfs/dbraw/zinc/45/13/22/1119451322.db2.gz	DRVBOBLNKKEPLJ-VBQJREDUSA-N	0	3	293.414	3.616	10	30		CHEEHN
C=CCNCc1ccc(OCCC)c(Br)c1	ZINC000020925963	171280426	/nfs/dbraw/zinc/28/04/26/171280426.db2.gz	KPVMQXXQLNHOCC-UHFFFAOYSA-N	0	3	284.197	3.514	10	30		CHEEHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CCCc3cc(F)ccc32)C1	ZINC000248853695	329900732	/nfs/dbraw/zinc/90/07/32/329900732.db2.gz	PBDNPZSRSTUYPW-ISTRZQFTSA-N	0	3	272.367	3.875	10	30		CHEEHN
CCNCc1cc(Cl)ccc1OCCCCC#N	ZINC000049578232	519989685	/nfs/dbraw/zinc/98/96/85/519989685.db2.gz	ZKYWDMJDFIANMF-UHFFFAOYSA-N	0	3	266.772	3.522	10	30		CHEEHN
N#C[C@H]1CCCCC[C@H]1NCCCc1ccccc1	ZINC000054825601	526511993	/nfs/dbraw/zinc/51/19/93/526511993.db2.gz	PGCHNUBQOWNPCK-IAGOWNOFSA-N	0	3	256.393	3.681	10	30		CHEEHN
N#C[C@H]1CCCCC[C@@H]1NCCc1ccc(Cl)cc1	ZINC000054826334	526512277	/nfs/dbraw/zinc/51/22/77/526512277.db2.gz	RNZMFEXCZPTTRV-ZBFHGGJFSA-N	0	3	276.811	3.945	10	30		CHEEHN
CN1CCC(=NN(Cc2ccccc2)c2ccccc2)CC1	ZINC000725268739	567924087	/nfs/dbraw/zinc/92/40/87/567924087.db2.gz	KQIXKPXHANILLG-UHFFFAOYSA-N	0	3	293.414	3.775	10	30		CHEEHN
C=CCNCc1cc(Br)ccc1OCCC	ZINC000020929299	171281019	/nfs/dbraw/zinc/28/10/19/171281019.db2.gz	YKUDVRYVOPYBTB-UHFFFAOYSA-N	0	3	284.197	3.514	10	30		CHEEHN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1nc(C#N)cs1	ZINC000386054647	336165461	/nfs/dbraw/zinc/16/54/61/336165461.db2.gz	WDAQQXVPBTYAKG-MRVWCRGKSA-N	0	3	277.437	3.565	10	30		CHEEHN
C=C[C@H](C)Oc1ccc(OC)cc1CNC(C)(C)C	ZINC000062727574	519299767	/nfs/dbraw/zinc/29/97/67/519299767.db2.gz	RWPKEXKVCVCSLM-LBPRGKRZSA-N	0	3	263.381	3.537	10	30		CHEEHN
CC(C)(CN[C@@H]1CCCC[C@@H]1C#N)c1ccccc1	ZINC000054825787	519269050	/nfs/dbraw/zinc/26/90/50/519269050.db2.gz	ZCVZUOGDNWUFEW-GDBMZVCRSA-N	0	3	256.393	3.636	10	30		CHEEHN
N#CC(C(=O)c1cccs1)c1cc(F)cc(F)c1	ZINC000049350111	526495249	/nfs/dbraw/zinc/49/52/49/526495249.db2.gz	JGQUEQQTMXNPJT-LLVKDONJSA-N	0	3	263.268	3.516	10	30		CHEEHN
N#C[C@@H]1CCCCC[C@@H]1NCCCc1ccccc1	ZINC000054825604	526498313	/nfs/dbraw/zinc/49/83/13/526498313.db2.gz	PGCHNUBQOWNPCK-IRXDYDNUSA-N	0	3	256.393	3.681	10	30		CHEEHN
NCC#Cc1cccc(CSC2CCCCC2)c1	ZINC000049611598	527153036	/nfs/dbraw/zinc/15/30/36/527153036.db2.gz	OMDYMWKARBYGGS-UHFFFAOYSA-N	0	3	259.418	3.563	10	30		CHEEHN
Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CCC[C@H]1C#N)CC3	ZINC000329612772	1119451431	/nfs/dbraw/zinc/45/14/31/1119451431.db2.gz	DRVBOBLNKKEPLJ-JJRVBVJISA-N	0	3	293.414	3.616	10	30		CHEEHN
C=CCOc1cccc(CNCc2ccccc2)c1	ZINC000006313034	170190064	/nfs/dbraw/zinc/19/00/64/170190064.db2.gz	ZTDKMQUZRZJYLQ-UHFFFAOYSA-N	0	3	253.345	3.541	10	30		CHEEHN
N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCCC[C@H]1c1ccccc1	ZINC000250816813	334351056	/nfs/dbraw/zinc/35/10/56/334351056.db2.gz	PEAYBJIJRBWORT-XLAORIBOSA-N	0	3	268.404	3.995	10	30		CHEEHN
C=C(Cl)COc1c(CNC(C)(C)C)cccc1OC	ZINC000062732231	518651005	/nfs/dbraw/zinc/65/10/05/518651005.db2.gz	OJKRBVXIAUKFKY-UHFFFAOYSA-N	0	3	283.799	3.715	10	30		CHEEHN
C=C[C@@H](C)Oc1ccc(OC)cc1CNC(C)(C)C	ZINC000062727575	519293830	/nfs/dbraw/zinc/29/38/30/519293830.db2.gz	RWPKEXKVCVCSLM-GFCCVEGCSA-N	0	3	263.381	3.537	10	30		CHEEHN
C[C@H]1CCC[C@@H](SCc2ccc(C#CCN)cc2)C1	ZINC000054694524	524154266	/nfs/dbraw/zinc/15/42/66/524154266.db2.gz	KIWVWQZASHRMAI-WMLDXEAASA-N	0	3	273.445	3.809	10	30		CHEEHN
N#C[C@H]1CCCCC[C@H]1NCCc1ccc(Cl)cc1	ZINC000054826333	526512047	/nfs/dbraw/zinc/51/20/47/526512047.db2.gz	RNZMFEXCZPTTRV-GDBMZVCRSA-N	0	3	276.811	3.945	10	30		CHEEHN
C=CCN1CCC[C@@H](c2nc(C(C)C)cs2)C1	ZINC000127672886	264262990	/nfs/dbraw/zinc/26/29/90/264262990.db2.gz	KWYKASWZUTWZGQ-GFCCVEGCSA-N	0	3	250.411	3.632	10	30		CHEEHN
C[C@H](COCc1ccccc1)N[C@H](C)c1cccc(C#N)c1	ZINC000181833476	329237656	/nfs/dbraw/zinc/23/76/56/329237656.db2.gz	OUSZIVTYRICJRJ-HZPDHXFCSA-N	0	3	294.398	3.814	10	30		CHEEHN
N#C[C@@H]1CCC[C@H]1NCC1CCC(C(F)(F)F)CC1	ZINC000468486691	331435684	/nfs/dbraw/zinc/43/56/84/331435684.db2.gz	HYCDZBPFKPUWQJ-PYNQCMFNSA-N	0	3	274.330	3.637	10	30		CHEEHN
Cc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1F	ZINC000248889837	334321035	/nfs/dbraw/zinc/32/10/35/334321035.db2.gz	SNCVRVAHKRAGRR-GUTXKFCHSA-N	0	3	260.356	3.867	10	30		CHEEHN
N#CC(C(=O)c1cc(F)ccc1F)c1cccs1	ZINC000052902489	526493210	/nfs/dbraw/zinc/49/32/10/526493210.db2.gz	SAZDNBMVOVNNMW-SNVBAGLBSA-N	0	3	263.268	3.516	10	30		CHEEHN
N#C[C@H]1CCCC[C@H]1NC12CC3CC(CC(C3)C1)C2	ZINC000054822930	526511936	/nfs/dbraw/zinc/51/19/36/526511936.db2.gz	MEUULHNMXFVTHC-IPEWZMKDSA-N	0	3	258.409	3.627	10	30		CHEEHN
N#Cc1ccc(CNC[C@H]2C[C@@]23CCCc2ccccc23)o1	ZINC000151420001	526623342	/nfs/dbraw/zinc/62/33/42/526623342.db2.gz	OTFXTFQDGVKFEE-BEFAXECRSA-N	0	3	292.382	3.535	10	30		CHEEHN
C=CC/N=C(\SCc1ccccc1)N1CCCC1	ZINC000015188421	567870142	/nfs/dbraw/zinc/87/01/42/567870142.db2.gz	KHLWLEMXXLZZIB-NXVVXOECSA-N	0	3	260.406	3.558	10	30		CHEEHN
CC[C@H](C#N)Oc1c2ccccc2ccc1[C@@H](C)N	ZINC000043538917	175064114	/nfs/dbraw/zinc/06/41/14/175064114.db2.gz	LUYOGGDWWDGOEH-DGCLKSJQSA-N	0	3	254.333	3.540	10	30		CHEEHN
C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CCC[C@@H]1C#N	ZINC000231901290	333331768	/nfs/dbraw/zinc/33/17/68/333331768.db2.gz	WQRUUVNMWUVSGG-KYOSRNDESA-N	0	3	262.784	3.553	10	30		CHEEHN
Cc1cccc(CC[C@H](C)N[C@H]2CCC[C@H]2C#N)c1	ZINC000251192632	334358039	/nfs/dbraw/zinc/35/80/39/334358039.db2.gz	OKOQJPMAVYBOID-XIRDDKMYSA-N	0	3	256.393	3.598	10	30		CHEEHN
C#CCOc1ccc(Br)cc1[C@H](C)NCCC	ZINC000052067718	518321251	/nfs/dbraw/zinc/32/12/51/518321251.db2.gz	OWYQVASXVSFAIN-NSHDSACASA-N	0	3	296.208	3.522	10	30		CHEEHN
Cc1csc(C2CCN(Cc3ccc(C#N)cc3)CC2)n1	ZINC000156777021	526329615	/nfs/dbraw/zinc/32/96/15/526329615.db2.gz	QGNFXGYOWCENRW-UHFFFAOYSA-N	0	3	297.427	3.703	10	30		CHEEHN
N#CC(C(=O)c1cc2c(s1)CCC2)c1cccs1	ZINC000052902805	526507718	/nfs/dbraw/zinc/50/77/18/526507718.db2.gz	GLACMSHCSWKUNX-JTQLQIEISA-N	0	3	273.382	3.788	10	30		CHEEHN
Cc1occc1C(=O)C(C#N)c1ccc(F)cc1Cl	ZINC000062610508	526815056	/nfs/dbraw/zinc/81/50/56/526815056.db2.gz	MBUVAVBCFNJYIP-LBPRGKRZSA-N	0	3	277.682	3.871	10	30		CHEEHN
CCCCCCCOc1ncccc1CNC1CC1	ZINC000106914682	186150986	/nfs/dbraw/zinc/15/09/86/186150986.db2.gz	SNWCSJBZVXLTLV-UHFFFAOYSA-N	0	3	262.397	3.683	10	30		CHEEHN
C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CCC[C@@H]1C#N	ZINC000231901282	333331794	/nfs/dbraw/zinc/33/17/94/333331794.db2.gz	WQRUUVNMWUVSGG-UXIGCNINSA-N	0	3	262.784	3.553	10	30		CHEEHN
C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)c(F)c1	ZINC000248721372	334314897	/nfs/dbraw/zinc/31/48/97/334314897.db2.gz	CINIDIUHQSQCBZ-DMDPSCGWSA-N	0	3	264.319	3.698	10	30		CHEEHN
C[C@@H]1CCC[C@@H](SCc2cc(C#CCN)cs2)C1	ZINC000054694600	524320897	/nfs/dbraw/zinc/32/08/97/524320897.db2.gz	VLMJVVKCXRSJQP-TZMCWYRMSA-N	0	3	279.474	3.870	10	30		CHEEHN
N#CC(C(=O)c1cc(F)cc(F)c1)c1cccs1	ZINC000052902769	526507758	/nfs/dbraw/zinc/50/77/58/526507758.db2.gz	ZLYXGFBTHFUDIH-NSHDSACASA-N	0	3	263.268	3.516	10	30		CHEEHN
COc1cc(C#N)ccc1Oc1cccc(F)c1[C@@H](C)N	ZINC000019873496	170903021	/nfs/dbraw/zinc/90/30/21/170903021.db2.gz	LXOFNAKMQAABRD-SNVBAGLBSA-N	0	3	286.306	3.518	10	30		CHEEHN
C[C@@H](CN(C)Cc1ccccc1)Nc1ccc(F)cc1C#N	ZINC000302025284	261345898	/nfs/dbraw/zinc/34/58/98/261345898.db2.gz	PSJXCGAZLPAYCI-AWEZNQCLSA-N	0	3	297.377	3.630	10	30		CHEEHN
N#Cc1ccc(F)c(CNC2(C3CCC3)CCC2)c1	ZINC000459768936	331299674	/nfs/dbraw/zinc/29/96/74/331299674.db2.gz	LTPRMVTZTYFIDH-UHFFFAOYSA-N	0	3	258.340	3.510	10	30		CHEEHN
C=CCCOCc1c(CN)sc2cccc(F)c21	ZINC000052599475	518703533	/nfs/dbraw/zinc/70/35/33/518703533.db2.gz	OQHHOGKJJYUANW-UHFFFAOYSA-N	0	3	265.353	3.592	10	30		CHEEHN
N#C[C@H]1CCCCC[C@@H]1NCCCc1ccccc1	ZINC000054825602	526512226	/nfs/dbraw/zinc/51/22/26/526512226.db2.gz	PGCHNUBQOWNPCK-SJORKVTESA-N	0	3	256.393	3.681	10	30		CHEEHN
CC[C@@H]1CN(CCCCC2(C#N)CCC2)C[C@H](CC)O1	ZINC000675079059	567025690	/nfs/dbraw/zinc/02/56/90/567025690.db2.gz	DVWGSPIRYKXBOV-IYBDPMFKSA-N	0	3	278.440	3.740	10	30		CHEEHN
CC#CCCN1CCC[C@H](c2nc(C(C)C)cs2)C1	ZINC000155785020	327396513	/nfs/dbraw/zinc/39/65/13/327396513.db2.gz	ZYRMVGHCRCFSFZ-AWEZNQCLSA-N	0	3	276.449	3.859	10	30		CHEEHN
C#CCOc1cccc(CN[C@H](C)c2ccccc2)c1	ZINC000045945584	330350102	/nfs/dbraw/zinc/35/01/02/330350102.db2.gz	YALKXVYDUHONJV-OAHLLOKOSA-N	0	3	265.356	3.549	10	30		CHEEHN
CC(C)[C@H](CN[C@H]1CCC[C@@H]1C#N)c1ccccc1	ZINC000224372476	333219716	/nfs/dbraw/zinc/21/97/16/333219716.db2.gz	CEMKFJFFZMVYDU-IKGGRYGDSA-N	0	3	256.393	3.708	10	30		CHEEHN
CC(C)(CN[C@H]1CCCC[C@H]1C#N)c1ccccc1	ZINC000054825790	519271736	/nfs/dbraw/zinc/27/17/36/519271736.db2.gz	ZCVZUOGDNWUFEW-HOCLYGCPSA-N	0	3	256.393	3.636	10	30		CHEEHN
C=C[C@H](C)Oc1ccc(CNC2CC2)cc1Br	ZINC000062702352	519301108	/nfs/dbraw/zinc/30/11/08/519301108.db2.gz	NIKNLWXKZSEFKO-JTQLQIEISA-N	0	3	296.208	3.654	10	30		CHEEHN
N#C[C@@H]1CCCC[C@@H]1NC12CC3CC(CC(C3)C1)C2	ZINC000054822927	526499890	/nfs/dbraw/zinc/49/98/90/526499890.db2.gz	MEUULHNMXFVTHC-OXMYNTRUSA-N	0	3	258.409	3.627	10	30		CHEEHN
N#Cc1ccc(CNC[C@@H]2C[C@]23CCCc2ccccc23)o1	ZINC000151420219	526623389	/nfs/dbraw/zinc/62/33/89/526623389.db2.gz	OTFXTFQDGVKFEE-HNAYVOBHSA-N	0	3	292.382	3.535	10	30		CHEEHN
C=CC/N=C(/SCc1ccccc1)N1CCCC1	ZINC000106832124	566962600	/nfs/dbraw/zinc/96/26/00/566962600.db2.gz	KHLWLEMXXLZZIB-FOCLMDBBSA-N	0	3	260.406	3.558	10	30		CHEEHN
C[C@H](N)c1c(F)cccc1Oc1ccc(C#N)cc1	ZINC000019873695	170903017	/nfs/dbraw/zinc/90/30/17/170903017.db2.gz	FKSVFQPRBYJGAZ-JTQLQIEISA-N	0	3	256.280	3.509	10	30		CHEEHN
C[C@H](CCC#N)N[C@H](C)c1cccc(Br)c1	ZINC000336722889	261810819	/nfs/dbraw/zinc/81/08/19/261810819.db2.gz	AZCGGOOCFQGUJN-GHMZBOCLSA-N	0	3	281.197	3.792	10	30		CHEEHN
Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1F	ZINC000248889842	334320949	/nfs/dbraw/zinc/32/09/49/334320949.db2.gz	SNCVRVAHKRAGRR-GZBFAFLISA-N	0	3	260.356	3.867	10	30		CHEEHN
CC(C)CNCc1cc(Cl)ccc1OCCCC#N	ZINC000062730935	519746739	/nfs/dbraw/zinc/74/67/39/519746739.db2.gz	JVTNAEWZRSZRFU-UHFFFAOYSA-N	0	3	280.799	3.768	10	30		CHEEHN
N#CC(C(=O)c1cccs1)c1cc(F)cc(F)c1	ZINC000049350106	526508401	/nfs/dbraw/zinc/50/84/01/526508401.db2.gz	JGQUEQQTMXNPJT-NSHDSACASA-N	0	3	263.268	3.516	10	30		CHEEHN
CCCCCCCC[NH2+]Cc1cccc(O)c1[O-]	ZINC000106250596	186105022	/nfs/dbraw/zinc/10/50/22/186105022.db2.gz	OPPGGQKOPGJYJJ-UHFFFAOYSA-N	0	3	251.370	3.548	10	30		CHEEHN
C#CCNCc1ccc2c(c1)c1ccccc1n2CC	ZINC000035161390	172020452	/nfs/dbraw/zinc/02/04/52/172020452.db2.gz	ZJVJXDOTGPRCRI-UHFFFAOYSA-N	0	3	262.356	3.537	10	30		CHEEHN
N#CCCCN1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1	ZINC000114481516	266296868	/nfs/dbraw/zinc/29/68/68/266296868.db2.gz	LFDYKAXMYDCTOT-MRXNPFEDSA-N	0	3	294.402	3.560	10	30		CHEEHN
N#C[C@@H]1CCC[C@H](N[C@H]2CCCc3cc(F)ccc32)C1	ZINC000248853697	329900797	/nfs/dbraw/zinc/90/07/97/329900797.db2.gz	PBDNPZSRSTUYPW-PVUWLOKVSA-N	0	3	272.367	3.875	10	30		CHEEHN
C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)c(F)c1	ZINC000185759286	333148333	/nfs/dbraw/zinc/14/83/33/333148333.db2.gz	CINIDIUHQSQCBZ-GVXVVHGQSA-N	0	3	264.319	3.698	10	30		CHEEHN
C=CCNCc1cn(Cc2ccccc2)c2ccccc12	ZINC000057353085	566871620	/nfs/dbraw/zinc/87/16/20/566871620.db2.gz	QNVCVXVUXIGAQU-UHFFFAOYSA-N	0	3	276.383	3.965	10	30		CHEEHN
CCCCCCCOc1ncccc1CNCCC	ZINC000110156919	186286879	/nfs/dbraw/zinc/28/68/79/186286879.db2.gz	JCAVVXQOCCDKRG-UHFFFAOYSA-N	0	3	264.413	3.930	10	30		CHEEHN
C=CCNCc1cc(Cl)c(OCCC)c(OCC)c1	ZINC000020931965	171280766	/nfs/dbraw/zinc/28/07/66/171280766.db2.gz	FHDQAOOBBJHXSE-UHFFFAOYSA-N	0	3	283.799	3.803	10	30		CHEEHN
N#CCCCN1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1	ZINC000114481517	266296847	/nfs/dbraw/zinc/29/68/47/266296847.db2.gz	LFDYKAXMYDCTOT-INIZCTEOSA-N	0	3	294.402	3.560	10	30		CHEEHN
C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)c(F)c1	ZINC000248721374	334314888	/nfs/dbraw/zinc/31/48/88/334314888.db2.gz	CINIDIUHQSQCBZ-LOWVWBTDSA-N	0	3	264.319	3.698	10	30		CHEEHN
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1nc(C#N)cs1	ZINC000386054642	336165507	/nfs/dbraw/zinc/16/55/07/336165507.db2.gz	WDAQQXVPBTYAKG-BNOWGMLFSA-N	0	3	277.437	3.565	10	30		CHEEHN
C[C@@H]1CCC[C@@H](SCc2ccc(C#CCN)cc2)C1	ZINC000054694522	524320671	/nfs/dbraw/zinc/32/06/71/524320671.db2.gz	KIWVWQZASHRMAI-RHSMWYFYSA-N	0	3	273.445	3.809	10	30		CHEEHN
C=CCNCc1cccc(OC)c1OCc1ccc(C)cc1	ZINC000020873966	570346159	/nfs/dbraw/zinc/34/61/59/570346159.db2.gz	KVBAWHVYHFLGLS-UHFFFAOYSA-N	0	3	297.398	3.858	10	30		CHEEHN
CCCCCCCC[NH2+]Cc1ccc(O)cc1[O-]	ZINC000106250594	186105349	/nfs/dbraw/zinc/10/53/49/186105349.db2.gz	XEXWYJBDBCSBNF-UHFFFAOYSA-N	0	3	251.370	3.548	10	30		CHEEHN
C#CCN[C@@H](C)c1ccc(OCCC)c(OCCC)c1	ZINC000019875586	170904881	/nfs/dbraw/zinc/90/48/81/170904881.db2.gz	XWWYPMFKSAILOI-AWEZNQCLSA-N	0	3	275.392	3.548	10	30		CHEEHN
C=CCNCc1ccc(OCc2ccc(C)cc2)cc1	ZINC000020873737	171277080	/nfs/dbraw/zinc/27/70/80/171277080.db2.gz	UJCMWKLRQCYAPE-UHFFFAOYSA-N	0	3	267.372	3.850	10	30		CHEEHN
C=CCC[C@H](CN(C)C)Oc1nc2ccccc2s1	ZINC000072411101	264267648	/nfs/dbraw/zinc/26/76/48/264267648.db2.gz	SDTXOLFLNCEBJQ-GFCCVEGCSA-N	0	3	276.405	3.572	10	30		CHEEHN
CC1(C)C[C@H](N[C@H]2CCC[C@H](C#N)C2)c2ccccc2O1	ZINC000185856008	327848172	/nfs/dbraw/zinc/84/81/72/327848172.db2.gz	JNLDCQDWWQXDQD-DZKIICNBSA-N	0	3	284.403	3.961	10	30		CHEEHN
Cc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1F	ZINC000185862085	333150575	/nfs/dbraw/zinc/15/05/75/333150575.db2.gz	SNCVRVAHKRAGRR-YDHLFZDLSA-N	0	3	260.356	3.867	10	30		CHEEHN
C=CCCOCc1cc(C)c(CNC(C)(C)C)o1	ZINC000052599765	518704792	/nfs/dbraw/zinc/70/47/92/518704792.db2.gz	BEGQUBXOUVJTHD-UHFFFAOYSA-N	0	3	251.370	3.569	10	30		CHEEHN
CC(C)(CN[C@H]1CCCC[C@@H]1C#N)c1ccccc1	ZINC000054825788	519271937	/nfs/dbraw/zinc/27/19/37/519271937.db2.gz	ZCVZUOGDNWUFEW-ZBFHGGJFSA-N	0	3	256.393	3.636	10	30		CHEEHN
Cc1csc([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)n1	ZINC000156971172	526421543	/nfs/dbraw/zinc/42/15/43/526421543.db2.gz	VBLQXVKRIVGJBG-MRXNPFEDSA-N	0	3	297.427	3.703	10	30		CHEEHN
N#CCCCCN1CCC[C@H](c2cc(F)ccc2F)C1	ZINC000191685839	1125327328	/nfs/dbraw/zinc/32/73/28/1125327328.db2.gz	ASGZFGLOQVWWFM-ZDUSSCGKSA-N	0	3	278.346	3.838	10	30		CHEEHN
C[C@@H](N[C@@H](CN(C)C)c1ccccc1)c1cccc(C#N)c1	ZINC000192941263	533509928	/nfs/dbraw/zinc/50/99/28/533509928.db2.gz	HGOZQYGOOSAXBM-BEFAXECRSA-N	0	3	293.414	3.512	10	30		CHEEHN
COc1ccc(Cl)cc1C(C#N)C(=O)CC(C)C	ZINC000037347205	173144365	/nfs/dbraw/zinc/14/43/65/173144365.db2.gz	MJKKJRRBGVLOGP-GFCCVEGCSA-N	0	3	265.740	3.571	10	30		CHEEHN
C[C@H](CCC#N)N[C@@H](C)c1cccc(Br)c1	ZINC000336722909	328158645	/nfs/dbraw/zinc/15/86/45/328158645.db2.gz	AZCGGOOCFQGUJN-MNOVXSKESA-N	0	3	281.197	3.792	10	30		CHEEHN
N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCc3cc(F)ccc32)C1	ZINC000248853699	329900785	/nfs/dbraw/zinc/90/07/85/329900785.db2.gz	PBDNPZSRSTUYPW-SRCQZFHVSA-N	0	3	272.367	3.875	10	30		CHEEHN
Cc1csc([C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1	ZINC000156980514	526421734	/nfs/dbraw/zinc/42/17/34/526421734.db2.gz	HUANGJINBNHEFI-MRXNPFEDSA-N	0	3	297.427	3.703	10	30		CHEEHN
N#CC(C(=O)c1cc(F)ccc1F)c1cccs1	ZINC000052902492	526506864	/nfs/dbraw/zinc/50/68/64/526506864.db2.gz	SAZDNBMVOVNNMW-JTQLQIEISA-N	0	3	263.268	3.516	10	30		CHEEHN
C#CCOc1ccc(Cl)cc1CNCCCCC	ZINC000045945746	570412501	/nfs/dbraw/zinc/41/25/01/570412501.db2.gz	VCHPVRRKIIMDQC-UHFFFAOYSA-N	0	3	265.784	3.632	10	30		CHEEHN
Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CCC[C@@H]1C#N)CC3	ZINC000329612770	1119451077	/nfs/dbraw/zinc/45/10/77/1119451077.db2.gz	DRVBOBLNKKEPLJ-CPUCHLNUSA-N	0	3	293.414	3.616	10	30		CHEEHN
C[C@@H](N[C@@H](C)c1ccc(C#N)s1)[C@@H]1COc2ccccc21	ZINC000183355241	329247230	/nfs/dbraw/zinc/24/72/30/329247230.db2.gz	CFZVXDGZEUNLKA-XUJVJEKNSA-N	0	3	298.411	3.835	10	30		CHEEHN
N#C[C@@H]1CCC[C@@H]1NC1CCC(c2ccccc2)CC1	ZINC000061890953	333474801	/nfs/dbraw/zinc/47/48/01/333474801.db2.gz	NUWSBNAEXMPXEJ-IKJBURDNSA-N	0	3	268.404	3.995	10	30		CHEEHN
CC(C)(C)NCc1cc(Cl)ccc1OCCCC#N	ZINC000062730820	518763630	/nfs/dbraw/zinc/76/36/30/518763630.db2.gz	RGPHOFDLMIHCQC-UHFFFAOYSA-N	0	3	280.799	3.911	10	30		CHEEHN
Cc1ccccc1CSCc1sccc1C#CCN	ZINC000054964565	525183184	/nfs/dbraw/zinc/18/31/84/525183184.db2.gz	LINHDFMHIJJEOX-UHFFFAOYSA-N	0	3	287.453	3.800	10	30		CHEEHN
C=CCOc1ccc(Cl)cc1CNCC(C)C	ZINC000006375945	170195892	/nfs/dbraw/zinc/19/58/92/170195892.db2.gz	VBHGTZHPZDPNNY-UHFFFAOYSA-N	0	3	253.773	3.650	10	30		CHEEHN
C=CCOc1c(Br)cccc1CNC(C)(C)C	ZINC000062733528	519004387	/nfs/dbraw/zinc/00/43/87/519004387.db2.gz	KNOPNVFLDLCBNT-UHFFFAOYSA-N	0	3	298.224	3.902	10	30		CHEEHN
C[C@@H]1CCC[C@H](SCc2cc(C#CCN)cs2)C1	ZINC000054694596	524412902	/nfs/dbraw/zinc/41/29/02/524412902.db2.gz	VLMJVVKCXRSJQP-OCCSQVGLSA-N	0	3	279.474	3.870	10	30		CHEEHN
Cc1occc1C(=O)C(C#N)c1ccc(F)cc1Cl	ZINC000062610510	526815318	/nfs/dbraw/zinc/81/53/18/526815318.db2.gz	MBUVAVBCFNJYIP-GFCCVEGCSA-N	0	3	277.682	3.871	10	30		CHEEHN
CC[C@@H]1CN(CCCCC2(C#N)CCC2)C[C@@H](CC)O1	ZINC000675079057	567026116	/nfs/dbraw/zinc/02/61/16/567026116.db2.gz	DVWGSPIRYKXBOV-HZPDHXFCSA-N	0	3	278.440	3.740	10	30		CHEEHN
C(#Cc1ccncc1)CCN1CC=C(c2ccccc2)CC1	ZINC000001533847	581093356	/nfs/dbraw/zinc/09/33/56/581093356.db2.gz	VPUYNZMAEQVXFX-UHFFFAOYSA-N	0	3	288.394	3.613	10	30		CHEEHN
C[C@H](N[C@@H](CN(C)C)c1ccccc1)c1cccc(C#N)c1	ZINC000192941249	227397290	/nfs/dbraw/zinc/39/72/90/227397290.db2.gz	HGOZQYGOOSAXBM-KXBFYZLASA-N	0	3	293.414	3.512	10	30		CHEEHN
C=CCN1CCC[C@H](c2nc(C(C)C)cs2)C1	ZINC000127673086	264263360	/nfs/dbraw/zinc/26/33/60/264263360.db2.gz	KWYKASWZUTWZGQ-LBPRGKRZSA-N	0	3	250.411	3.632	10	30		CHEEHN
N#C[C@@H]1CCC[C@H]1NC1CCC(c2ccccc2)CC1	ZINC000061890952	333474723	/nfs/dbraw/zinc/47/47/23/333474723.db2.gz	NUWSBNAEXMPXEJ-JYSRZZCRSA-N	0	3	268.404	3.995	10	30		CHEEHN
Cc1ccc(C(=O)C(C#N)c2cccs2)cc1F	ZINC000052902688	526239491	/nfs/dbraw/zinc/23/94/91/526239491.db2.gz	ZZCNOLQNNXPFBK-NSHDSACASA-N	0	3	259.305	3.686	10	30		CHEEHN