smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1c(C)cc(/C=C(\C#N)C(=O)NOCC(F)F)c1C	ZINC000490873290	270002339	/nfs/dbraw/zinc/00/23/39/270002339.db2.gz	CXNPESPGOGJQNM-NTUHNPAUSA-N	0	2	311.332	2.735	20	50		DFGDLN
CCOc1ccc(/C=C(\C#N)C(=O)NOCc2cccnc2)cc1	ZINC000179006871	266319922	/nfs/dbraw/zinc/31/99/22/266319922.db2.gz	DOGAHHOFGPXMBH-MHWRWJLKSA-N	0	2	323.352	2.635	20	50		DFGDLN
CC(C)(C)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC000028638804	398475046	/nfs/dbraw/zinc/47/50/46/398475046.db2.gz	QACWDOVEGNXOGQ-UHFFFAOYSA-N	0	2	316.357	2.666	20	50		DFGDLN
CC(C)CC(=O)NNC(=O)c1cc(-c2cccc(Cl)c2)on1	ZINC000030034655	398495709	/nfs/dbraw/zinc/49/57/09/398495709.db2.gz	GEOIAUPZQVJDKR-UHFFFAOYSA-N	0	2	321.764	2.802	20	50		DFGDLN
N#C/C(=C\c1ccc([N+](=O)[O-])c(O)c1)C(=O)NC1CCCCC1	ZINC000490609968	268155723	/nfs/dbraw/zinc/15/57/23/268155723.db2.gz	CVSZXBUBAJHOCV-XYOKQWHBSA-N	0	2	315.329	2.656	20	50		DFGDLN
CC(C)CC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)on1	ZINC000014337561	398390161	/nfs/dbraw/zinc/39/01/61/398390161.db2.gz	ZKXHYQHLKLFBSN-UHFFFAOYSA-N	0	2	321.764	2.802	20	50		DFGDLN
CCOc1ccc(/C=C(/C#N)C(=O)NOCC(F)(F)F)cc1	ZINC000490724879	270002380	/nfs/dbraw/zinc/00/23/80/270002380.db2.gz	CANVGGXTAVUVOO-XFFZJAGNSA-N	0	2	314.263	2.602	20	50		DFGDLN
CCCONC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	ZINC000491005403	267026926	/nfs/dbraw/zinc/02/69/26/267026926.db2.gz	AZUPDMICVYKDJD-WPBJZHHJSA-N	0	2	319.405	2.677	20	50		DFGDLN
CCCONC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	ZINC000491005402	267026941	/nfs/dbraw/zinc/02/69/41/267026941.db2.gz	AZUPDMICVYKDJD-WFSQQTBHSA-N	0	2	319.405	2.677	20	50		DFGDLN
CCOc1ccc(/C=C(\C#N)C(=O)NOCCC2CC2)cc1	ZINC000490943566	267161964	/nfs/dbraw/zinc/16/19/64/267161964.db2.gz	SGSNJBGUWJQAJI-RVDMUPIBSA-N	0	2	300.358	2.840	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)c2sc(C(C)(C)C)nc2C)o1	ZINC000084284723	398397028	/nfs/dbraw/zinc/39/70/28/398397028.db2.gz	BIJGYZXVWADOEX-UHFFFAOYSA-N	0	2	321.402	2.725	20	50		DFGDLN
CCCONC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	ZINC000491005387	267026334	/nfs/dbraw/zinc/02/63/34/267026334.db2.gz	AZUPDMICVYKDJD-BPKVKKHESA-N	0	2	319.405	2.677	20	50		DFGDLN
C[C@@H]1CN(/C(=C/C#N)c2ccccc2)CC[N@H+]1C1CC[NH+](C)CC1	ZINC000371695921	267033887	/nfs/dbraw/zinc/03/38/87/267033887.db2.gz	ZJOYRFVQWKYOHV-UZHQLRPZSA-N	0	2	324.472	2.651	20	50		DFGDLN
CCCn1c(C)cc(/C=C(/C#N)C(=O)NOCCOCC)c1C	ZINC000490879113	267046499	/nfs/dbraw/zinc/04/64/99/267046499.db2.gz	QKGSGGLBLOFIOB-WJDWOHSUSA-N	0	2	319.405	2.506	20	50		DFGDLN
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NOCCOC)c1C	ZINC000490968884	269650418	/nfs/dbraw/zinc/65/04/18/269650418.db2.gz	CNVHVISAGCBSKY-WJDWOHSUSA-N	0	2	319.405	2.506	20	50		DFGDLN
Cc1cc[nH+]c(NNC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1	ZINC000830611374	605326794	/nfs/dbraw/zinc/32/67/94/605326794.db2.gz	JLLRBHOBVLBOPQ-UHFFFAOYSA-N	0	2	300.318	2.545	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)N[C@H]2C[C@H]2C2CCCCC2)o1	ZINC000084161258	398395132	/nfs/dbraw/zinc/39/51/32/398395132.db2.gz	SCDSQLMYLJHTPQ-STQMWFEESA-N	0	2	305.378	2.501	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)o1	ZINC000084284797	398397078	/nfs/dbraw/zinc/39/70/78/398397078.db2.gz	MUSMCXICPDMGIF-VHSXEESVSA-N	0	2	318.295	2.718	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccc(C)s2)o1	ZINC000084291506	398397192	/nfs/dbraw/zinc/39/71/92/398397192.db2.gz	JIVCDFIMIRXVSQ-QWRGUYRKSA-N	0	2	304.371	2.523	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)o1	ZINC000084380373	398398152	/nfs/dbraw/zinc/39/81/52/398398152.db2.gz	RBLVBZCKLQTHFI-UWVGGRQHSA-N	0	2	318.295	2.718	20	50		DFGDLN
CC(C)CC(=O)NNC(=O)c1csc(Cc2ccccc2)n1	ZINC000032969553	398539753	/nfs/dbraw/zinc/53/97/53/398539753.db2.gz	BABLHFMOTZLXIK-UHFFFAOYSA-N	0	2	317.414	2.541	20	50		DFGDLN
COC(=O)NNC(=O)c1csc(-c2ccc(Cl)s2)n1	ZINC000158693993	398959447	/nfs/dbraw/zinc/95/94/47/398959447.db2.gz	NCRXDZYDVBJVIM-UHFFFAOYSA-N	0	2	317.779	2.526	20	50		DFGDLN
COC(=O)NNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O	ZINC000158681595	398959696	/nfs/dbraw/zinc/95/96/96/398959696.db2.gz	CTLSGCPDWIWGII-UHFFFAOYSA-N	0	2	320.732	2.713	20	50		DFGDLN
CCOC(=O)NNC(=O)c1csc(-c2ccc(C)cc2C)n1	ZINC000064023185	399214671	/nfs/dbraw/zinc/21/46/71/399214671.db2.gz	YTRKTRKCIBNWIN-UHFFFAOYSA-N	0	2	319.386	2.818	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)o1	ZINC000084291503	398397475	/nfs/dbraw/zinc/39/74/75/398397475.db2.gz	JIVCDFIMIRXVSQ-WDEREUQCSA-N	0	2	304.371	2.523	20	50		DFGDLN
Cc1noc(C(C)C)c1C(=O)NNC(=O)c1cccc(Cl)c1	ZINC000014851060	398390993	/nfs/dbraw/zinc/39/09/93/398390993.db2.gz	CPQPHBRJYHQJNY-UHFFFAOYSA-N	0	2	321.764	2.835	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)/C=C/c2cccc(Cl)c2)o1	ZINC000084284117	398397334	/nfs/dbraw/zinc/39/73/34/398397334.db2.gz	VBJOTKJWRZHGQT-SOFGYWHQSA-N	0	2	304.733	2.716	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)o1	ZINC000084284789	398397417	/nfs/dbraw/zinc/39/74/17/398397417.db2.gz	MUSMCXICPDMGIF-ZJUUUORDSA-N	0	2	318.295	2.718	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1	ZINC000084284795	398397239	/nfs/dbraw/zinc/39/72/39/398397239.db2.gz	MUSMCXICPDMGIF-NXEZZACHSA-N	0	2	318.295	2.718	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)o1	ZINC000017156959	398403016	/nfs/dbraw/zinc/40/30/16/398403016.db2.gz	RAHOSATYTVVTIZ-UHFFFAOYSA-N	0	2	302.374	2.565	20	50		DFGDLN
CC(C)Cc1nc(C(=O)NNC(=O)c2ccccc2F)cs1	ZINC000063568933	399195541	/nfs/dbraw/zinc/19/55/41/399195541.db2.gz	FXROXTXZEFOMBT-UHFFFAOYSA-N	0	2	321.377	2.556	20	50		DFGDLN
CCOc1ccc(/C=C(\C#N)C(=O)NOC2CCCC2)cc1	ZINC000272099368	266320284	/nfs/dbraw/zinc/32/02/84/266320284.db2.gz	LAUASQXPXAURIE-SDNWHVSQSA-N	0	2	300.358	2.983	20	50		DFGDLN
O=C(CCCCCc1cccs1)NNC(=O)c1ccccn1	ZINC000067123545	398418448	/nfs/dbraw/zinc/41/84/48/398418448.db2.gz	ZCYSIKDUQMHLDY-UHFFFAOYSA-N	0	2	317.414	2.707	20	50		DFGDLN
Cc1ccccc1NC(=O)NNC(=O)c1cc(C(C)(C)C)on1	ZINC000075566240	398810488	/nfs/dbraw/zinc/81/04/88/398810488.db2.gz	MBYBAGPCDSACGB-UHFFFAOYSA-N	0	2	316.361	2.747	20	50		DFGDLN
CCCn1c(C)cc(/C=C(/C#N)C(=O)NOCCCOC)c1C	ZINC000490936157	267046487	/nfs/dbraw/zinc/04/64/87/267046487.db2.gz	AJXVXBVBNFOHNR-WJDWOHSUSA-N	0	2	319.405	2.506	20	50		DFGDLN
Cc1cc(Br)oc1C(=O)NNC(=O)CCC(C)C	ZINC000066572728	398385092	/nfs/dbraw/zinc/38/50/92/398385092.db2.gz	UCQVNPXWJCWUDV-UHFFFAOYSA-N	0	2	317.183	2.548	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)o1	ZINC000084161250	398395163	/nfs/dbraw/zinc/39/51/63/398395163.db2.gz	SCDSQLMYLJHTPQ-CHWSQXEVSA-N	0	2	305.378	2.501	20	50		DFGDLN
CCCn1c(C)cc(/C=C(\C#N)C(=O)NOCCCOC)c1C	ZINC000287616583	266087217	/nfs/dbraw/zinc/08/72/17/266087217.db2.gz	AJXVXBVBNFOHNR-LFIBNONCSA-N	0	2	319.405	2.506	20	50		DFGDLN
CCCn1c(C)cc(/C=C(/C#N)C(=O)NOCCSC)c1C	ZINC000490664429	267047044	/nfs/dbraw/zinc/04/70/44/267047044.db2.gz	QODDPCBWMCZRLL-GDNBJRDFSA-N	0	2	321.446	2.833	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)o1	ZINC000084291509	398397085	/nfs/dbraw/zinc/39/70/85/398397085.db2.gz	JIVCDFIMIRXVSQ-GHMZBOCLSA-N	0	2	304.371	2.523	20	50		DFGDLN
CCCN(NC(=O)c1cc(C)c(C#N)cn1)C(=O)OC(C)(C)C	ZINC000496756827	267017835	/nfs/dbraw/zinc/01/78/35/267017835.db2.gz	JTTFAUCRTXFWBB-UHFFFAOYSA-N	0	2	318.377	2.554	20	50		DFGDLN
CCOc1ccc(/C=C(/C#N)C(=O)NOC2CCCC2)cc1	ZINC000490812481	270002377	/nfs/dbraw/zinc/00/23/77/270002377.db2.gz	LAUASQXPXAURIE-KAMYIIQDSA-N	0	2	300.358	2.983	20	50		DFGDLN
CCOc1ccc(/C=C(\C#N)C(=O)NOC/C=C/Cl)cc1	ZINC000491109086	267161688	/nfs/dbraw/zinc/16/16/88/267161688.db2.gz	ZIIHZBJTZZWYEP-ZUVDZHCASA-N	0	2	306.749	2.793	20	50		DFGDLN
CCCN(NC(=O)c1sccc1C#N)C(=O)OC(C)(C)C	ZINC000495694413	267017596	/nfs/dbraw/zinc/01/75/96/267017596.db2.gz	BKKWQOJBXOMWSK-UHFFFAOYSA-N	0	2	309.391	2.912	20	50		DFGDLN
CCCONC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	ZINC000491005399	267026902	/nfs/dbraw/zinc/02/69/02/267026902.db2.gz	AZUPDMICVYKDJD-LWLPBDFMSA-N	0	2	319.405	2.677	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)NCC[C@H](C)c2ccccc2)o1	ZINC000084155917	398394888	/nfs/dbraw/zinc/39/48/88/398394888.db2.gz	OQVGGXZTMNVRLA-LBPRGKRZSA-N	0	2	315.373	2.726	20	50		DFGDLN
CCCn1c(C)cc(/C=C(\C#N)C(=O)NOCCOCC)c1C	ZINC000184760116	266086679	/nfs/dbraw/zinc/08/66/79/266086679.db2.gz	QKGSGGLBLOFIOB-LFIBNONCSA-N	0	2	319.405	2.506	20	50		DFGDLN
Cc1cc[nH+]c(NNC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1	ZINC000830611994	603481026	/nfs/dbraw/zinc/48/10/26/603481026.db2.gz	SUBYKMKMWLHESE-UHFFFAOYSA-N	0	2	320.736	2.890	20	50		DFGDLN
CC(=O)c1ccc(O)c(NC(=O)C(C#N)=Cc2ccc(O)cc2)c1	ZINC000491163883	266846483	/nfs/dbraw/zinc/84/64/83/266846483.db2.gz	YRIFCOWDMWRLDX-RIYZIHGNSA-N	0	2	322.320	2.846	20	50		DFGDLN
Cc1cc[nH+]c(NNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1	ZINC000830611188	603481292	/nfs/dbraw/zinc/48/12/92/603481292.db2.gz	GNYFYPQWSUNQAI-UHFFFAOYSA-N	0	2	300.318	2.545	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)o1	ZINC000084284792	398397217	/nfs/dbraw/zinc/39/72/17/398397217.db2.gz	MUSMCXICPDMGIF-UWVGGRQHSA-N	0	2	318.295	2.718	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)C[C@@H](C)c2ccc(F)cc2)o1	ZINC000084284359	398397496	/nfs/dbraw/zinc/39/74/96/398397496.db2.gz	ZHUPCMJDWPVHIJ-SNVBAGLBSA-N	0	2	304.321	2.682	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)o1	ZINC000084380374	398398160	/nfs/dbraw/zinc/39/81/60/398398160.db2.gz	RBLVBZCKLQTHFI-NXEZZACHSA-N	0	2	318.295	2.718	20	50		DFGDLN
N#C/C(=C/c1ccc([N+](=O)[O-])c(O)c1)C(=O)NC1CCCCC1	ZINC000490609967	268142899	/nfs/dbraw/zinc/14/28/99/268142899.db2.gz	CVSZXBUBAJHOCV-WQLSENKSSA-N	0	2	315.329	2.656	20	50		DFGDLN
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)Nc1ccncc1	ZINC000091540105	398534946	/nfs/dbraw/zinc/53/49/46/398534946.db2.gz	DGSGCUYFCPEBDO-YHYXMXQVSA-N	0	2	301.252	2.611	20	50		DFGDLN
Cc1cc(C(=O)NNC(=O)c2csc(CC(C)C)n2)c(C)o1	ZINC000063568968	399195879	/nfs/dbraw/zinc/19/58/79/399195879.db2.gz	BINKLYHRRQWOLN-UHFFFAOYSA-N	0	2	321.402	2.626	20	50		DFGDLN
CCCN(NC(=O)c1ccc(C#N)c(C)n1)C(=O)OC(C)(C)C	ZINC000286415757	266052628	/nfs/dbraw/zinc/05/26/28/266052628.db2.gz	GXOJRVYJLWAHNG-UHFFFAOYSA-N	0	2	318.377	2.554	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)o1	ZINC000084161255	398395091	/nfs/dbraw/zinc/39/50/91/398395091.db2.gz	SCDSQLMYLJHTPQ-QWHCGFSZSA-N	0	2	305.378	2.501	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)o1	ZINC000084380377	398398128	/nfs/dbraw/zinc/39/81/28/398398128.db2.gz	RBLVBZCKLQTHFI-VHSXEESVSA-N	0	2	318.295	2.718	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2c2ccc(C)s2)o1	ZINC000084291511	398397426	/nfs/dbraw/zinc/39/74/26/398397426.db2.gz	JIVCDFIMIRXVSQ-MNOVXSKESA-N	0	2	304.371	2.523	20	50		DFGDLN
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)Nc1nccs1	ZINC000175319592	267879933	/nfs/dbraw/zinc/87/99/33/267879933.db2.gz	SNUBGPOXQUGSOC-FPYGCLRLSA-N	0	2	307.281	2.673	20	50		DFGDLN
CCOC(=O)NNC(=O)c1csc(-c2ccccc2C)n1	ZINC000066590789	398386650	/nfs/dbraw/zinc/38/66/50/398386650.db2.gz	GPZYGXUABIMBIG-UHFFFAOYSA-N	0	2	305.359	2.509	20	50		DFGDLN
CCCN(NC(=O)c1ccc(C#N)s1)C(=O)OC(C)(C)C	ZINC000495631169	267017484	/nfs/dbraw/zinc/01/74/84/267017484.db2.gz	LQUNERGKWBBBIC-UHFFFAOYSA-N	0	2	309.391	2.912	20	50		DFGDLN
CCOc1ccc(/C=C(\C#N)C(=O)NOC/C=C\Cl)cc1	ZINC000491109083	267161974	/nfs/dbraw/zinc/16/19/74/267161974.db2.gz	ZIIHZBJTZZWYEP-NFKBQMSDSA-N	0	2	306.749	2.793	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)C[C@H](C)c2ccc(F)cc2)o1	ZINC000084284362	398397280	/nfs/dbraw/zinc/39/72/80/398397280.db2.gz	ZHUPCMJDWPVHIJ-JTQLQIEISA-N	0	2	304.321	2.682	20	50		DFGDLN
O=C(NNC(=O)C1CC1)c1occc1CSc1ccccc1	ZINC000073070003	398659430	/nfs/dbraw/zinc/65/94/30/398659430.db2.gz	GAGCWRJHYCFHQR-UHFFFAOYSA-N	0	2	316.382	2.743	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)NCC[C@@H](C)c2ccccc2)o1	ZINC000084155914	398395030	/nfs/dbraw/zinc/39/50/30/398395030.db2.gz	OQVGGXZTMNVRLA-GFCCVEGCSA-N	0	2	315.373	2.726	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)o1	ZINC000084380371	398398090	/nfs/dbraw/zinc/39/80/90/398398090.db2.gz	RBLVBZCKLQTHFI-ZJUUUORDSA-N	0	2	318.295	2.718	20	50		DFGDLN
CCOC(=O)NNC(=O)c1csc(-c2ccc(C)cc2)n1	ZINC000021772150	398414295	/nfs/dbraw/zinc/41/42/95/398414295.db2.gz	WTQNOBGJWDXNRP-UHFFFAOYSA-N	0	2	305.359	2.509	20	50		DFGDLN
CC(C)CC(=O)NNC(=O)c1csc(-c2cccs2)n1	ZINC000024608471	398432174	/nfs/dbraw/zinc/43/21/74/398432174.db2.gz	MRMVMDDBFDAJIY-UHFFFAOYSA-N	0	2	309.416	2.679	20	50		DFGDLN
CCOC(=O)NNC(=O)c1ccc(-c2ccccc2Cl)o1	ZINC000039527209	398558897	/nfs/dbraw/zinc/55/88/97/398558897.db2.gz	UVPXSJNOIUZRSC-UHFFFAOYSA-N	0	2	308.721	2.991	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)N[C@H](c2ccccc2)C(C)C)o1	ZINC000084141020	398394186	/nfs/dbraw/zinc/39/41/86/398394186.db2.gz	OSNVECFGFIXOCI-HNNXBMFYSA-N	0	2	315.373	2.929	20	50		DFGDLN
CC(C)CCC(=O)NNC(=O)c1cc(-c2ccccc2)on1	ZINC000053723616	398881309	/nfs/dbraw/zinc/88/13/09/398881309.db2.gz	DUFIWIZGCTWVNT-UHFFFAOYSA-N	0	2	301.346	2.539	20	50		DFGDLN
CC(C)(C)C(=O)NNC(=O)c1cc(-c2ccccc2Cl)on1	ZINC000079566288	399058474	/nfs/dbraw/zinc/05/84/74/399058474.db2.gz	LBPJGIGBEMMQLJ-UHFFFAOYSA-N	0	2	321.764	2.802	20	50		DFGDLN
CCCn1c(C)cc(/C=C(\C#N)C(=O)NOCCSC)c1C	ZINC000280058798	266087851	/nfs/dbraw/zinc/08/78/51/266087851.db2.gz	QODDPCBWMCZRLL-XNTDXEJSSA-N	0	2	321.446	2.833	20	50		DFGDLN
CCCn1c(C)cc(/C=C(/C#N)C(=O)NOCC(F)F)c1C	ZINC000490873291	267046517	/nfs/dbraw/zinc/04/65/17/267046517.db2.gz	CXNPESPGOGJQNM-QPEQYQDCSA-N	0	2	311.332	2.735	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)o1	ZINC000084161253	398395118	/nfs/dbraw/zinc/39/51/18/398395118.db2.gz	SCDSQLMYLJHTPQ-OLZOCXBDSA-N	0	2	305.378	2.501	20	50		DFGDLN
CCCN(NC(=O)c1ncc(C#N)cc1C)C(=O)OC(C)(C)C	ZINC000495819836	267017168	/nfs/dbraw/zinc/01/71/68/267017168.db2.gz	PKGXCEBPTMHZSP-UHFFFAOYSA-N	0	2	318.377	2.554	20	50		DFGDLN
CCCn1c(C)cc(/C=C(/C#N)C(=O)NOCC2CC2)c1C	ZINC000491128705	267046810	/nfs/dbraw/zinc/04/68/10/267046810.db2.gz	DXOVCBHSOZAGSC-SXGWCWSVSA-N	0	2	301.390	2.880	20	50		DFGDLN
CCOc1ccc(/C=C(\C#N)C(=O)NOCC(F)(F)F)cc1	ZINC000490724882	267161294	/nfs/dbraw/zinc/16/12/94/267161294.db2.gz	CANVGGXTAVUVOO-YRNVUSSQSA-N	0	2	314.263	2.602	20	50		DFGDLN
Cc1ccc(C(=O)NNC(=O)N[C@@H](c2ccccc2)C(C)C)o1	ZINC000084141017	398393720	/nfs/dbraw/zinc/39/37/20/398393720.db2.gz	OSNVECFGFIXOCI-OAHLLOKOSA-N	0	2	315.373	2.929	20	50		DFGDLN
CCCCCNC(=O)/C(C#N)=C/c1cc(O)ccc1[N+](=O)[O-]	ZINC000157259584	269997761	/nfs/dbraw/zinc/99/77/61/269997761.db2.gz	HXYRWZSYXVGPPA-XYOKQWHBSA-N	0	2	303.318	2.514	20	50		DFGDLN