smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1	ZINC000248940388	334322465	/nfs/dbraw/zinc/32/24/65/334322465.db2.gz	YSQCBNOIYCPJJZ-YWPYICTPSA-N	0	3	262.784	4.073	10	30		CIEEHN
C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)c(Cl)c1	ZINC000248944689	334322422	/nfs/dbraw/zinc/32/24/22/334322422.db2.gz	ZCANHLJTDRWNAD-LOWVWBTDSA-N	0	3	280.774	4.212	10	30		CIEEHN
CC(C)(CCC#N)CN[C@@H](c1ccco1)c1ccccc1	ZINC000229683649	333307719	/nfs/dbraw/zinc/30/77/19/333307719.db2.gz	HVALWTNCQQKQDZ-QGZVFWFLSA-N	0	3	282.387	4.289	10	30		CIEEHN
CCC[C@@H](NCC#Cc1ccccc1)c1ccccc1	ZINC000020476645	171220769	/nfs/dbraw/zinc/22/07/69/171220769.db2.gz	YUWPKFVITMXYMC-LJQANCHMSA-N	0	3	263.384	4.169	10	30		CIEEHN
C=CCN[C@H](c1ccccc1)c1cc(C)ccc1C	ZINC000021038654	171293056	/nfs/dbraw/zinc/29/30/56/171293056.db2.gz	LYZLYGXWIFFSEB-GOSISDBHSA-N	0	3	251.373	4.168	10	30		CIEEHN
N#CC(C(=O)c1ccccc1)c1c(Cl)cccc1Cl	ZINC000037343979	173143300	/nfs/dbraw/zinc/14/33/00/173143300.db2.gz	FDTBOXSJUKPRIU-LLVKDONJSA-N	0	3	290.149	4.483	10	30		CIEEHN
Cc1ccc([C@H](C)NCc2cc(C#N)cs2)c(C)c1	ZINC000093492430	265183234	/nfs/dbraw/zinc/18/32/34/265183234.db2.gz	OGERFIGBKROXQF-ZDUSSCGKSA-N	0	3	270.401	4.087	10	30		CIEEHN
CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1c1ccco1	ZINC000135235680	334120567	/nfs/dbraw/zinc/12/05/67/334120567.db2.gz	QJQAFRDYRJUGIF-QGZVFWFLSA-N	0	3	294.398	4.418	10	30		CIEEHN
C[C@H](CC(C)(C)c1ccccc1)N[C@H]1CCC[C@H]1C#N	ZINC000251556382	334364019	/nfs/dbraw/zinc/36/40/19/334364019.db2.gz	LZGUORGOUWPEON-VYDXJSESSA-N	0	3	270.420	4.025	10	30		CIEEHN
N#CC(C(=O)c1cc(Cl)ccc1F)c1cccs1	ZINC000052902822	526492307	/nfs/dbraw/zinc/49/23/07/526492307.db2.gz	XGQMVHRAYANEBY-SNVBAGLBSA-N	0	3	279.723	4.031	10	30		CIEEHN
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(Cl)cc1Cl	ZINC000054823776	526512303	/nfs/dbraw/zinc/51/23/03/526512303.db2.gz	SCCKLBWTNYJDNC-DOMZBBRYSA-N	0	3	297.229	4.208	10	30		CIEEHN
N#C[C@H]1CCCC[C@H]1NCCc1ccc(Cl)cc1Cl	ZINC000054823775	526512455	/nfs/dbraw/zinc/51/24/55/526512455.db2.gz	SCCKLBWTNYJDNC-IUODEOHRSA-N	0	3	297.229	4.208	10	30		CIEEHN
C[C@@H](NC1=NC[C@H](C)S1)c1ccc(Cl)cc1Cl	ZINC000035287077	172105222	/nfs/dbraw/zinc/10/52/22/172105222.db2.gz	NFRWAYBGBLSIOY-JGVFFNPUSA-N	0	3	289.231	4.135	10	30		CIEEHN
C=C(C)CN1CCC[C@@H](c2nc(C(C)C)cs2)C1	ZINC000127706203	264263652	/nfs/dbraw/zinc/26/36/52/264263652.db2.gz	XRDMJTVUOCXYKP-CYBMUJFWSA-N	0	3	264.438	4.022	10	30		CIEEHN
C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cccs2)cc1	ZINC000178174895	329196007	/nfs/dbraw/zinc/19/60/07/329196007.db2.gz	OMNZLNDHUIJYSW-KGLIPLIRSA-N	0	3	285.412	4.172	10	30		CIEEHN
C#CCOc1ccc([C@@H](C)N[C@H](C)c2cccs2)cc1	ZINC000178174916	329196078	/nfs/dbraw/zinc/19/60/78/329196078.db2.gz	OMNZLNDHUIJYSW-ZIAGYGMSSA-N	0	3	285.412	4.172	10	30		CIEEHN
Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C#N)cc1)[C@H](C)C2	ZINC000245722967	334215187	/nfs/dbraw/zinc/21/51/87/334215187.db2.gz	OZFFGGBSLIQMRT-STXHMFSFSA-N	0	3	290.410	4.451	10	30		CIEEHN
C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1	ZINC000248940391	334322332	/nfs/dbraw/zinc/32/23/32/334322332.db2.gz	YSQCBNOIYCPJJZ-ZOWXZIJZSA-N	0	3	262.784	4.073	10	30		CIEEHN
Cc1ccsc1C(=O)C(C#N)c1ccc(F)cc1Cl	ZINC000062610565	525829813	/nfs/dbraw/zinc/82/98/13/525829813.db2.gz	NLEARYQJSYMVRP-NSHDSACASA-N	0	3	293.750	4.339	10	30		CIEEHN
Cc1ccc(C2(C#N)CCN(Cc3ccccc3)CC2)cc1	ZINC000098210070	567911588	/nfs/dbraw/zinc/91/15/88/567911588.db2.gz	JRHAJGZTNOPKOS-UHFFFAOYSA-N	0	3	290.410	4.052	10	30		CIEEHN
CCCCCCCOCc1occc1CNC(C)C	ZINC000104090773	185893694	/nfs/dbraw/zinc/89/36/94/185893694.db2.gz	CQXKJGBOMUPLHO-UHFFFAOYSA-N	0	3	267.413	4.265	10	30		CIEEHN
C=CCOc1cccc(CN[C@H](C)c2ccccc2)c1	ZINC000006587454	170216860	/nfs/dbraw/zinc/21/68/60/170216860.db2.gz	OBTMXLXBLVSWFE-OAHLLOKOSA-N	0	3	267.372	4.102	10	30		CIEEHN
CCCN(CCC)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N	ZINC000037145889	172983601	/nfs/dbraw/zinc/98/36/01/172983601.db2.gz	FGGMKDJYDLIKDD-BZUAXINKSA-N	0	3	264.457	4.463	10	30		CIEEHN
N#CC(C(=O)C1CCCCC1)c1ccccc1Cl	ZINC000044268777	175157994	/nfs/dbraw/zinc/15/79/94/175157994.db2.gz	HBEVZINTDZFMEV-CYBMUJFWSA-N	0	3	261.752	4.097	10	30		CIEEHN
C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)s1	ZINC000185770803	333148519	/nfs/dbraw/zinc/14/85/19/333148519.db2.gz	PXSUQLHBBGJQOK-DCAQKATOSA-N	0	3	268.813	4.134	10	30		CIEEHN
CC(C)(CCC#N)CN[C@H](c1ccco1)c1ccccc1	ZINC000229683656	333307764	/nfs/dbraw/zinc/30/77/64/333307764.db2.gz	HVALWTNCQQKQDZ-KRWDZBQOSA-N	0	3	282.387	4.289	10	30		CIEEHN
C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(Cl)c1	ZINC000136223499	334149808	/nfs/dbraw/zinc/14/98/08/334149808.db2.gz	ZJFHKPCDPHJVME-NSHDSACASA-N	0	3	288.753	4.202	10	30		CIEEHN
N#CC(C(=O)c1csc2ccccc12)c1cccs1	ZINC000052902992	526508451	/nfs/dbraw/zinc/50/84/51/526508451.db2.gz	CEQNTPVXWOBDCK-NSHDSACASA-N	0	3	283.377	4.453	10	30		CIEEHN
CCC[C@H](NCC#Cc1ccccc1)c1ccccc1	ZINC000020476647	171221046	/nfs/dbraw/zinc/22/10/46/171221046.db2.gz	YUWPKFVITMXYMC-IBGZPJMESA-N	0	3	263.384	4.169	10	30		CIEEHN
N#CC(C(=O)c1ccccc1)c1c(Cl)cccc1Cl	ZINC000037343977	173143239	/nfs/dbraw/zinc/14/32/39/173143239.db2.gz	FDTBOXSJUKPRIU-NSHDSACASA-N	0	3	290.149	4.483	10	30		CIEEHN
Cc1ccc(C(=O)C(C#N)c2ccc(F)cc2Cl)s1	ZINC000062610401	526240666	/nfs/dbraw/zinc/24/06/66/526240666.db2.gz	CHLGRZWMKYUTQG-LLVKDONJSA-N	0	3	293.750	4.339	10	30		CIEEHN
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(Cl)cc1Cl	ZINC000054823777	526500276	/nfs/dbraw/zinc/50/02/76/526500276.db2.gz	SCCKLBWTNYJDNC-SWLSCSKDSA-N	0	3	297.229	4.208	10	30		CIEEHN
C=CCN[C@H](c1ccccc1)c1ccc(C)cc1C	ZINC000020559133	171250940	/nfs/dbraw/zinc/25/09/40/171250940.db2.gz	XHMJSUFWJVDEAL-GOSISDBHSA-N	0	3	251.373	4.168	10	30		CIEEHN
C#CCOc1ccc(Cl)cc1CNCCCCCC	ZINC000045945761	175387941	/nfs/dbraw/zinc/38/79/41/175387941.db2.gz	HTLMTNCJVRIBAB-UHFFFAOYSA-N	0	3	279.811	4.022	10	30		CIEEHN
CCc1ccc([C@H]2CCCCN2CCCSCC#N)o1	ZINC000173899103	329153467	/nfs/dbraw/zinc/15/34/67/329153467.db2.gz	STUKXVHDPORORQ-OAHLLOKOSA-N	0	3	292.448	4.016	10	30		CIEEHN
C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H]1c1ccco1	ZINC000189892011	329388150	/nfs/dbraw/zinc/38/81/50/329388150.db2.gz	VIWJXAYAVJJGAJ-XJKSGUPXSA-N	0	3	266.344	4.049	10	30		CIEEHN
N#CC(C(=O)c1ccc(F)cc1Cl)c1cccs1	ZINC000052902668	526493309	/nfs/dbraw/zinc/49/33/09/526493309.db2.gz	FQDSXPTWACGIRL-SNVBAGLBSA-N	0	3	279.723	4.031	10	30		CIEEHN
N#CC(C(=O)C1CCCCC1)c1ccccc1Cl	ZINC000044268781	175157974	/nfs/dbraw/zinc/15/79/74/175157974.db2.gz	HBEVZINTDZFMEV-ZDUSSCGKSA-N	0	3	261.752	4.097	10	30		CIEEHN
C=C(C)COc1ccc(Cl)cc1[C@@H](C)NCCC	ZINC000050210489	175512198	/nfs/dbraw/zinc/51/21/98/175512198.db2.gz	MLDJTDGAWDOVOC-GFCCVEGCSA-N	0	3	267.800	4.356	10	30		CIEEHN
C[C@H](NCCC(C)(C)C#N)c1cccc(Br)c1	ZINC000087591402	326942313	/nfs/dbraw/zinc/94/23/13/326942313.db2.gz	SJVBKXDOABXPQV-NSHDSACASA-N	0	3	295.224	4.040	10	30		CIEEHN
C[C@@H]1CC[C@H](NCc2cc(C#N)cs2)c2ccccc21	ZINC000132367943	333978638	/nfs/dbraw/zinc/97/86/38/333978638.db2.gz	QOWYXITWMZGESW-PXAZEXFGSA-N	0	3	282.412	4.348	10	30		CIEEHN
C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)s1	ZINC000248863528	334319841	/nfs/dbraw/zinc/31/98/41/334319841.db2.gz	PXSUQLHBBGJQOK-HBNTYKKESA-N	0	3	268.813	4.134	10	30		CIEEHN
C[C@H]1CCCC[C@H]1N(C)[C@@H](CC#N)c1ccccc1	ZINC000055020598	526261381	/nfs/dbraw/zinc/26/13/81/526261381.db2.gz	OSQISLHGFZRTNF-UAGQMJEPSA-N	0	3	256.393	4.152	10	30		CIEEHN
N#CC(C(=O)C1CCCC1)c1ccc(Cl)cc1Cl	ZINC000037346225	173143329	/nfs/dbraw/zinc/14/33/29/173143329.db2.gz	BLVASENOERMEKZ-GFCCVEGCSA-N	0	3	282.170	4.360	10	30		CIEEHN
C[C@H](NCc1cc(C#N)cs1)c1cccc(Cl)c1	ZINC000093492056	265182407	/nfs/dbraw/zinc/18/24/07/265182407.db2.gz	WOWGJKTXAYBZIK-JTQLQIEISA-N	0	3	276.792	4.124	10	30		CIEEHN
Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H](C)C2	ZINC000182690575	328822316	/nfs/dbraw/zinc/82/23/16/328822316.db2.gz	OZFFGGBSLIQMRT-QEEYODRMSA-N	0	3	290.410	4.451	10	30		CIEEHN
C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)c(Cl)c1	ZINC000185796543	333148945	/nfs/dbraw/zinc/14/89/45/333148945.db2.gz	ZCANHLJTDRWNAD-GVXVVHGQSA-N	0	3	280.774	4.212	10	30		CIEEHN
C[C@@H]1CCCC[C@@H]1N(C)[C@@H](CC#N)c1ccccc1	ZINC000055020592	524131001	/nfs/dbraw/zinc/13/10/01/524131001.db2.gz	OSQISLHGFZRTNF-PVAVHDDUSA-N	0	3	256.393	4.152	10	30		CIEEHN
Cc1ccc(C(=O)C(C#N)c2ccc(F)cc2Cl)s1	ZINC000062610398	526239870	/nfs/dbraw/zinc/23/98/70/526239870.db2.gz	CHLGRZWMKYUTQG-NSHDSACASA-N	0	3	293.750	4.339	10	30		CIEEHN
C=CCN[C@@H](c1ccccc1)c1cc(C)ccc1C	ZINC000021038648	171292898	/nfs/dbraw/zinc/29/28/98/171292898.db2.gz	LYZLYGXWIFFSEB-SFHVURJKSA-N	0	3	251.373	4.168	10	30		CIEEHN
C[C@H](NC1=NC[C@H](C)S1)c1ccc(Cl)cc1Cl	ZINC000035287075	172105441	/nfs/dbraw/zinc/10/54/41/172105441.db2.gz	NFRWAYBGBLSIOY-YUMQZZPRSA-N	0	3	289.231	4.135	10	30		CIEEHN
C[C@H](CC(C)(C)c1ccccc1)N[C@@H]1CCC[C@H]1C#N	ZINC000251556372	334364216	/nfs/dbraw/zinc/36/42/16/334364216.db2.gz	LZGUORGOUWPEON-HLLBOEOZSA-N	0	3	270.420	4.025	10	30		CIEEHN
C[C@@H]1CCCC[C@H]1N(C)[C@@H](CC#N)c1ccccc1	ZINC000055020595	524162854	/nfs/dbraw/zinc/16/28/54/524162854.db2.gz	OSQISLHGFZRTNF-OIISXLGYSA-N	0	3	256.393	4.152	10	30		CIEEHN
Cc1ccsc1C(=O)C(C#N)c1ccc(F)cc1Cl	ZINC000062610567	525829973	/nfs/dbraw/zinc/82/99/73/525829973.db2.gz	NLEARYQJSYMVRP-LLVKDONJSA-N	0	3	293.750	4.339	10	30		CIEEHN
C[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1	ZINC000100398695	567913119	/nfs/dbraw/zinc/91/31/19/567913119.db2.gz	WRZFUOOSXMQGBT-FMTKACEISA-N	0	3	294.398	4.271	10	30		CIEEHN
C=CCOc1cccc(CN[C@@H](C)c2ccccc2)c1	ZINC000006586026	170216351	/nfs/dbraw/zinc/21/63/51/170216351.db2.gz	OBTMXLXBLVSWFE-HNNXBMFYSA-N	0	3	267.372	4.102	10	30		CIEEHN
CCc1ccc([C@H](C)NCc2cc(C#N)cs2)cc1	ZINC000093492065	265182233	/nfs/dbraw/zinc/18/22/33/265182233.db2.gz	ZGOMCDFYGPCWED-LBPRGKRZSA-N	0	3	270.401	4.033	10	30		CIEEHN
Cc1ccc([C@@H](C)NCc2cc(C#N)cs2)c(C)c1	ZINC000093492429	265182962	/nfs/dbraw/zinc/18/29/62/265182962.db2.gz	OGERFIGBKROXQF-CYBMUJFWSA-N	0	3	270.401	4.087	10	30		CIEEHN
C[C@H](NCC#Cc1ccccc1)c1ccc(Cl)cc1	ZINC000051814320	328635217	/nfs/dbraw/zinc/63/52/17/328635217.db2.gz	GDEMASYOLSSQJQ-AWEZNQCLSA-N	0	3	269.775	4.042	10	30		CIEEHN
C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1	ZINC000160541624	330867061	/nfs/dbraw/zinc/86/70/61/330867061.db2.gz	MHHJNJIUUDFPQJ-LLVKDONJSA-N	0	3	288.753	4.202	10	30		CIEEHN
C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)c(Cl)c1	ZINC000185796503	333148948	/nfs/dbraw/zinc/14/89/48/333148948.db2.gz	ZCANHLJTDRWNAD-GMXVVIOVSA-N	0	3	280.774	4.212	10	30		CIEEHN
C=C(Cl)COc1cc(F)ccc1[C@@H](C)NCCC	ZINC000062747357	518651040	/nfs/dbraw/zinc/65/10/40/518651040.db2.gz	RKFZYAKHVKQIJG-LLVKDONJSA-N	0	3	271.763	4.018	10	30		CIEEHN
CC1CCN([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)CC1	ZINC000037145545	172983645	/nfs/dbraw/zinc/98/36/45/172983645.db2.gz	WUNIYICYAHKQDN-BZUAXINKSA-N	0	3	262.441	4.073	10	30		CIEEHN
Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc(C#N)c1)[C@H](C)C2	ZINC000180230038	260096085	/nfs/dbraw/zinc/09/60/85/260096085.db2.gz	BOUWKWIYXYHVRZ-QEEYODRMSA-N	0	3	290.410	4.451	10	30		CIEEHN
CCc1ccc([C@@H]2CCCCN2CCCSCC#N)o1	ZINC000173899090	329153359	/nfs/dbraw/zinc/15/33/59/329153359.db2.gz	STUKXVHDPORORQ-HNNXBMFYSA-N	0	3	292.448	4.016	10	30		CIEEHN
C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)s1	ZINC000185770764	333148421	/nfs/dbraw/zinc/14/84/21/333148421.db2.gz	PXSUQLHBBGJQOK-GARJFASQSA-N	0	3	268.813	4.134	10	30		CIEEHN
C[C@H](CC(C)(C)c1ccccc1)N[C@H]1CCC[C@@H]1C#N	ZINC000061892261	333475019	/nfs/dbraw/zinc/47/50/19/333475019.db2.gz	LZGUORGOUWPEON-INMHGKMJSA-N	0	3	270.420	4.025	10	30		CIEEHN
CC1(C)CCc2ccccc2[C@H]1NCc1cc(C#N)cs1	ZINC000131796405	333966941	/nfs/dbraw/zinc/96/69/41/333966941.db2.gz	UZNMPNTVHNUSMA-QGZVFWFLSA-N	0	3	296.439	4.423	10	30		CIEEHN
C[C@H]1CCCC[C@@H]1N(C)[C@@H](CC#N)c1ccccc1	ZINC000055020593	526255701	/nfs/dbraw/zinc/25/57/01/526255701.db2.gz	OSQISLHGFZRTNF-XIRDDKMYSA-N	0	3	256.393	4.152	10	30		CIEEHN
N#CC(C(=O)c1cc(Cl)ccc1F)c1cccs1	ZINC000052902824	526507794	/nfs/dbraw/zinc/50/77/94/526507794.db2.gz	XGQMVHRAYANEBY-JTQLQIEISA-N	0	3	279.723	4.031	10	30		CIEEHN
C=CCN[C@@H](c1ccccc1)c1ccc(C)cc1C	ZINC000020559131	171251226	/nfs/dbraw/zinc/25/12/26/171251226.db2.gz	XHMJSUFWJVDEAL-SFHVURJKSA-N	0	3	251.373	4.168	10	30		CIEEHN
N#CC(C(=O)C1CCCC1)c1ccc(Cl)cc1Cl	ZINC000037346227	173143447	/nfs/dbraw/zinc/14/34/47/173143447.db2.gz	BLVASENOERMEKZ-LBPRGKRZSA-N	0	3	282.170	4.360	10	30		CIEEHN
C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]1c1ccco1	ZINC000118400159	267251262	/nfs/dbraw/zinc/25/12/62/267251262.db2.gz	DBZMAIGWTAOJCE-CZUORRHYSA-N	0	3	266.344	4.049	10	30		CIEEHN
C[C@@H](NCCC(C)(C)C#N)c1cccc(Br)c1	ZINC000087591403	326942327	/nfs/dbraw/zinc/94/23/27/326942327.db2.gz	SJVBKXDOABXPQV-LLVKDONJSA-N	0	3	295.224	4.040	10	30		CIEEHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@@H]1c1ccco1	ZINC000189892028	329388078	/nfs/dbraw/zinc/38/80/78/329388078.db2.gz	VIWJXAYAVJJGAJ-CZUORRHYSA-N	0	3	266.344	4.049	10	30		CIEEHN
CC1(C)CCc2ccccc2[C@@H]1NCc1cc(C#N)cs1	ZINC000131796171	333966937	/nfs/dbraw/zinc/96/69/37/333966937.db2.gz	UZNMPNTVHNUSMA-KRWDZBQOSA-N	0	3	296.439	4.423	10	30		CIEEHN
N#CC(C(=O)c1ccc(F)cc1Cl)c1cccs1	ZINC000052902670	526507504	/nfs/dbraw/zinc/50/75/04/526507504.db2.gz	FQDSXPTWACGIRL-JTQLQIEISA-N	0	3	279.723	4.031	10	30		CIEEHN
C[C@H]1/C(=N\O)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1	ZINC000105416730	186057398	/nfs/dbraw/zinc/05/73/98/186057398.db2.gz	WRZFUOOSXMQGBT-JFQOVSOXSA-N	0	3	294.398	4.271	10	30		CIEEHN
CC(C)[C@H](NCc1cccc(C#N)c1)c1cccs1	ZINC000035046646	171950297	/nfs/dbraw/zinc/95/02/97/171950297.db2.gz	OZPKEAMVLFNNGX-INIZCTEOSA-N	0	3	270.401	4.107	10	30		CIEEHN
C[C@@H](NC1=NC[C@@H](C)S1)c1ccc(Cl)cc1Cl	ZINC000035287076	172104906	/nfs/dbraw/zinc/10/49/06/172104906.db2.gz	NFRWAYBGBLSIOY-HTQZYQBOSA-N	0	3	289.231	4.135	10	30		CIEEHN
C[C@@H](NCC#Cc1ccccc1)c1ccc(Cl)cc1	ZINC000051814321	328635377	/nfs/dbraw/zinc/63/53/77/328635377.db2.gz	GDEMASYOLSSQJQ-CQSZACIVSA-N	0	3	269.775	4.042	10	30		CIEEHN
C#CCOc1ccc([C@H](C)N[C@H](C)c2cccs2)cc1	ZINC000178174904	329196128	/nfs/dbraw/zinc/19/61/28/329196128.db2.gz	OMNZLNDHUIJYSW-UONOGXRCSA-N	0	3	285.412	4.172	10	30		CIEEHN
C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)s1	ZINC000248863522	334319897	/nfs/dbraw/zinc/31/98/97/334319897.db2.gz	PXSUQLHBBGJQOK-AXFHLTTASA-N	0	3	268.813	4.134	10	30		CIEEHN
C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)c(Cl)c1	ZINC000248944686	334322437	/nfs/dbraw/zinc/32/24/37/334322437.db2.gz	ZCANHLJTDRWNAD-DMDPSCGWSA-N	0	3	280.774	4.212	10	30		CIEEHN
CCc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1	ZINC000093492064	265181787	/nfs/dbraw/zinc/18/17/87/265181787.db2.gz	ZGOMCDFYGPCWED-GFCCVEGCSA-N	0	3	270.401	4.033	10	30		CIEEHN
N#CC(C(=O)c1csc2ccccc12)c1cccs1	ZINC000052902994	526495444	/nfs/dbraw/zinc/49/54/44/526495444.db2.gz	CEQNTPVXWOBDCK-LLVKDONJSA-N	0	3	283.377	4.453	10	30		CIEEHN
C[C@H](NC1=NC[C@@H](C)S1)c1ccc(Cl)cc1Cl	ZINC000035287074	172104904	/nfs/dbraw/zinc/10/49/04/172104904.db2.gz	NFRWAYBGBLSIOY-SFYZADRCSA-N	0	3	289.231	4.135	10	30		CIEEHN
C#CCOc1ccc([C@H](C)N[C@@H](C)c2cccs2)cc1	ZINC000178174885	329196108	/nfs/dbraw/zinc/19/61/08/329196108.db2.gz	OMNZLNDHUIJYSW-KBPBESRZSA-N	0	3	285.412	4.172	10	30		CIEEHN
CC1(C)CCc2ccccc2[C@H]1NCc1ccc(C#N)s1	ZINC000131776782	333966276	/nfs/dbraw/zinc/96/62/76/333966276.db2.gz	UTILYPRWXUSZTH-QGZVFWFLSA-N	0	3	296.439	4.423	10	30		CIEEHN
C[C@H]1CC[C@@H](NCc2cc(C#N)cs2)c2ccccc21	ZINC000132368607	333978603	/nfs/dbraw/zinc/97/86/03/333978603.db2.gz	QOWYXITWMZGESW-YVEFUNNKSA-N	0	3	282.412	4.348	10	30		CIEEHN
CC(C)(C#N)c1ccccc1CN1CCC[C@H]1c1ccco1	ZINC000135235708	334120718	/nfs/dbraw/zinc/12/07/18/334120718.db2.gz	QJQAFRDYRJUGIF-KRWDZBQOSA-N	0	3	294.398	4.418	10	30		CIEEHN
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(Cl)cc1Cl	ZINC000054823778	526499347	/nfs/dbraw/zinc/49/93/47/526499347.db2.gz	SCCKLBWTNYJDNC-WFASDCNBSA-N	0	3	297.229	4.208	10	30		CIEEHN