smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C(F)(F)N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164771388	721159734	/nfs/dbraw/zinc/15/97/34/721159734.db2.gz	SMLCXAQYGHIJNK-HUUCEWRRSA-N	0	1	436.894	2.852	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)O2)CC1	ZINC001164891032	721383870	/nfs/dbraw/zinc/38/38/70/721383870.db2.gz	QDDMFDVCAORAMS-PXNSSMCTSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)O2)CC1	ZINC001164890514	721387729	/nfs/dbraw/zinc/38/77/29/721387729.db2.gz	NRNWSXAPNCCIMV-UZLBHIALSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)C3)O2)CC1	ZINC001164887779	721390798	/nfs/dbraw/zinc/39/07/98/721390798.db2.gz	IIHFKWUKBFJARV-MBSDFSHPSA-N	0	1	440.979	2.920	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)O2)CC1	ZINC001164883580	721415824	/nfs/dbraw/zinc/41/58/24/721415824.db2.gz	AZYJQXZHSCVGOP-XLIONFOSSA-N	0	1	439.938	2.917	20	30		IFEDMN
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164979163	722099086	/nfs/dbraw/zinc/09/90/86/722099086.db2.gz	HFRQTTZJUVJVCY-NVXWUHKLSA-N	0	1	430.965	2.846	20	30		IFEDMN
N#Cc1cccc(Oc2nc(Cl)ncc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164752593	720802676	/nfs/dbraw/zinc/80/26/76/720802676.db2.gz	ZIIJHCODRIRLOS-AEFFLSMTSA-N	0	1	449.902	2.926	20	30		IFEDMN
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164750360	720803179	/nfs/dbraw/zinc/80/31/79/720803179.db2.gz	VKGUORFIWUYJFJ-DLBZAZTESA-N	0	1	449.902	2.926	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)O2)CC1	ZINC001164887280	721401230	/nfs/dbraw/zinc/40/12/30/721401230.db2.gz	LUBCRMSNDMRRPY-OXJNMPFZSA-N	0	1	439.938	2.917	20	30		IFEDMN
COc1cccc(OC)c1CN1CCC(N(C)c2nc(C#N)c(C#N)nc2Cl)CC1	ZINC001165020206	721841124	/nfs/dbraw/zinc/84/11/24/721841124.db2.gz	FZJUNDCAAWSTHL-UHFFFAOYSA-N	0	1	426.908	2.991	20	30		IFEDMN
CCOC(=O)c1cc(C)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C#N	ZINC001164976298	722108420	/nfs/dbraw/zinc/10/84/20/722108420.db2.gz	LBXFETAKHJQTIU-SIKLNZKXSA-N	0	1	435.528	2.561	20	30		IFEDMN
CSc1nc(-c2ccccc2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C#N	ZINC001164741676	720724069	/nfs/dbraw/zinc/72/40/69/720724069.db2.gz	MVOSELGPULJHCX-QZTJIDSGSA-N	0	1	445.552	2.869	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)O2)CC1	ZINC001164886667	721415473	/nfs/dbraw/zinc/41/54/73/721415473.db2.gz	KLRLOUQUNIOMFE-YLJYHZDGSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccc(F)cc4)ccc2C#N)CC3)CC1	ZINC001164794937	721509658	/nfs/dbraw/zinc/50/96/58/721509658.db2.gz	GHPXAAIXIHHJTN-UHFFFAOYSA-N	0	1	431.519	2.723	20	30		IFEDMN
C=CCN1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccccc2)CC1	ZINC001165032378	721870561	/nfs/dbraw/zinc/87/05/61/721870561.db2.gz	PEBBLVZDHLZWCK-OAQYLSRUSA-N	0	1	433.537	2.976	20	30		IFEDMN
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCc2ncc(CN3CCCC3)n2CC1	ZINC001164733494	720557562	/nfs/dbraw/zinc/55/75/62/720557562.db2.gz	OFPOCNQHHRTZPI-UHFFFAOYSA-N	0	1	428.924	2.638	20	30		IFEDMN
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164750362	720802763	/nfs/dbraw/zinc/80/27/63/720802763.db2.gz	VKGUORFIWUYJFJ-IAGOWNOFSA-N	0	1	449.902	2.926	20	30		IFEDMN
N#Cc1cccc(Oc2nc(Cl)ncc2N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164752604	720802858	/nfs/dbraw/zinc/80/28/58/720802858.db2.gz	ZIIJHCODRIRLOS-WMZOPIPTSA-N	0	1	449.902	2.926	20	30		IFEDMN
COc1cc(C(F)(F)N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c(C#N)c(Cl)n1	ZINC001164771386	721160338	/nfs/dbraw/zinc/16/03/38/721160338.db2.gz	SMLCXAQYGHIJNK-CABCVRRESA-N	0	1	436.894	2.852	20	30		IFEDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3cc(C#N)c4cc(Cl)ccc4n3)CC2)C1	ZINC001164879612	721291041	/nfs/dbraw/zinc/29/10/41/721291041.db2.gz	XFBXKCZUABEQOV-UHFFFAOYSA-N	0	1	441.963	2.767	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)O2)CC1	ZINC001164883576	721415351	/nfs/dbraw/zinc/41/53/51/721415351.db2.gz	AZYJQXZHSCVGOP-FXAWDEMLSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)O2)CC1	ZINC001164896807	721425966	/nfs/dbraw/zinc/42/59/66/721425966.db2.gz	SDLVMIMVJZRMHT-PXNSSMCTSA-N	0	1	439.938	2.917	20	30		IFEDMN
C=CC[NH+]1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1	ZINC001165032127	721870634	/nfs/dbraw/zinc/87/06/34/721870634.db2.gz	IOPYGMDLBATYOD-UHFFFAOYSA-N	0	1	427.505	2.878	20	30		IFEDMN
CNC(=O)CN1CCCC12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2	ZINC001164683179	719700033	/nfs/dbraw/zinc/70/00/33/719700033.db2.gz	IXWBTMQRIDLBFD-UHFFFAOYSA-N	0	1	432.302	2.986	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)O2)CC1	ZINC001164883906	721409647	/nfs/dbraw/zinc/40/96/47/721409647.db2.gz	CQYRVDLDCNYZEV-AZUAARDMSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@H]2CCCO[C@@H]12	ZINC001164803015	721573968	/nfs/dbraw/zinc/57/39/68/721573968.db2.gz	JECIBTVSJMCFJK-WMTXJRDZSA-N	0	1	433.556	2.917	20	30		IFEDMN
N#Cc1ccc(Oc2nc(Cl)ncc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1	ZINC001164747876	720802814	/nfs/dbraw/zinc/80/28/14/720802814.db2.gz	PQAIJMCFPIXJTM-AEFFLSMTSA-N	0	1	449.902	2.926	20	30		IFEDMN
COc1cc(C(F)(F)N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164771389	721160814	/nfs/dbraw/zinc/16/08/14/721160814.db2.gz	SMLCXAQYGHIJNK-LSDHHAIUSA-N	0	1	436.894	2.852	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)O2)CC1	ZINC001164887279	721401109	/nfs/dbraw/zinc/40/11/09/721401109.db2.gz	LUBCRMSNDMRRPY-JXFKEZNVSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)O2)CC1	ZINC001164883581	721415402	/nfs/dbraw/zinc/41/54/02/721415402.db2.gz	AZYJQXZHSCVGOP-YLJYHZDGSA-N	0	1	439.938	2.917	20	30		IFEDMN
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164979167	722099046	/nfs/dbraw/zinc/09/90/46/722099046.db2.gz	HFRQTTZJUVJVCY-WBVHZDCISA-N	0	1	430.965	2.846	20	30		IFEDMN
CN1CCN(c2cccc(N3CCC[C@@]4(C3)COCCN(c3cccc(C#N)c3)C4)n2)CC1	ZINC001165003163	722258758	/nfs/dbraw/zinc/25/87/58/722258758.db2.gz	CMMGQKKFDSLHBD-AREMUKBSSA-N	0	1	446.599	2.828	20	30		IFEDMN
CCCc1cc(C#N)c(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)nc1Cl	ZINC001164872460	721277411	/nfs/dbraw/zinc/27/74/11/721277411.db2.gz	DMOVXAQHLZVQOK-UHFFFAOYSA-N	0	1	433.984	2.566	20	30		IFEDMN
Cc1cnc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c(C#C[Si](C)(C)C)c1	ZINC001164874551	721281075	/nfs/dbraw/zinc/28/10/75/721281075.db2.gz	UMMTVYKHDMYCCH-UHFFFAOYSA-N	0	1	442.680	2.626	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)C3)O2)CC1	ZINC001164887777	721390750	/nfs/dbraw/zinc/39/07/50/721390750.db2.gz	IIHFKWUKBFJARV-FDDCHVKYSA-N	0	1	440.979	2.920	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)O2)CC1	ZINC001164896812	721426229	/nfs/dbraw/zinc/42/62/29/721426229.db2.gz	SDLVMIMVJZRMHT-XLIONFOSSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccncc5)ccc4C#N)C3)O2)CC1	ZINC001164898773	721431816	/nfs/dbraw/zinc/43/18/16/721431816.db2.gz	WYMYUNPKYDHJNH-DHLKQENFSA-N	0	1	432.572	2.781	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccncc5)ccc4C#N)C3)O2)CC1	ZINC001164898777	721431831	/nfs/dbraw/zinc/43/18/31/721431831.db2.gz	WYMYUNPKYDHJNH-WIOPSUGQSA-N	0	1	432.572	2.781	20	30		IFEDMN
CSc1nc(Cl)c(C#N)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164979165	722098902	/nfs/dbraw/zinc/09/89/02/722098902.db2.gz	HFRQTTZJUVJVCY-RDJZCZTQSA-N	0	1	430.965	2.846	20	30		IFEDMN
Cc1nc(C#Cc2ccnc(N3C[C@H]4OCCN(C)[C@H]4C3)c2)c(C)n1-c1ccc(F)cc1	ZINC001164669270	719394102	/nfs/dbraw/zinc/39/41/02/719394102.db2.gz	ULLFLWVNGUHSJZ-BJKOFHAPSA-N	0	1	431.515	2.942	20	30		IFEDMN
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164750365	720802738	/nfs/dbraw/zinc/80/27/38/720802738.db2.gz	VKGUORFIWUYJFJ-SJORKVTESA-N	0	1	449.902	2.926	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)O2)CC1	ZINC001164891038	721383881	/nfs/dbraw/zinc/38/38/81/721383881.db2.gz	QDDMFDVCAORAMS-YLJYHZDGSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)O2)CC1	ZINC001164883912	721409703	/nfs/dbraw/zinc/40/97/03/721409703.db2.gz	CQYRVDLDCNYZEV-UYAOXDASSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)O2)CC1	ZINC001164886661	721415185	/nfs/dbraw/zinc/41/51/85/721415185.db2.gz	KLRLOUQUNIOMFE-PXNSSMCTSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)O2)CC1	ZINC001164886664	721415687	/nfs/dbraw/zinc/41/56/87/721415687.db2.gz	KLRLOUQUNIOMFE-XLIONFOSSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccncc5)ccc4C#N)C3)O2)CC1	ZINC001164898776	721431669	/nfs/dbraw/zinc/43/16/69/721431669.db2.gz	WYMYUNPKYDHJNH-RDGATRHJSA-N	0	1	432.572	2.781	20	30		IFEDMN
CN1CCN(c2cccc(N3CCC[C@]4(C3)COCCN(c3cccc(C#N)c3)C4)n2)CC1	ZINC001165003164	722258743	/nfs/dbraw/zinc/25/87/43/722258743.db2.gz	CMMGQKKFDSLHBD-SANMLTNESA-N	0	1	446.599	2.828	20	30		IFEDMN
Cc1nc(C#Cc2ccnc(N3C[C@H]4OCCN(C)[C@@H]4C3)c2)c(C)n1-c1ccc(F)cc1	ZINC001164669273	719394305	/nfs/dbraw/zinc/39/43/05/719394305.db2.gz	ULLFLWVNGUHSJZ-DNQXCXABSA-N	0	1	431.515	2.942	20	30		IFEDMN
CSc1nc(-c2ccccc2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C#N	ZINC001164741667	720723336	/nfs/dbraw/zinc/72/33/36/720723336.db2.gz	MVOSELGPULJHCX-MSOLQXFVSA-N	0	1	445.552	2.869	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)O2)CC1	ZINC001164896817	721426094	/nfs/dbraw/zinc/42/60/94/721426094.db2.gz	SDLVMIMVJZRMHT-YLJYHZDGSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)O2)CC1	ZINC001164896803	721426156	/nfs/dbraw/zinc/42/61/56/721426156.db2.gz	SDLVMIMVJZRMHT-FXAWDEMLSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@@H]2CCCO[C@H]12	ZINC001164803009	721573463	/nfs/dbraw/zinc/57/34/63/721573463.db2.gz	JECIBTVSJMCFJK-AKFKNWHVSA-N	0	1	433.556	2.917	20	30		IFEDMN
CN(C)C(=O)CN1CCC2(CCCN2c2ccc([C@@H](C#N)c3ccccc3F)nn2)CC1	ZINC001165009434	721740520	/nfs/dbraw/zinc/74/05/20/721740520.db2.gz	DASKSZDNJFFNDC-IBGZPJMESA-N	0	1	436.535	2.794	20	30		IFEDMN
CCOC(=O)c1cc(C)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1C#N	ZINC001164963188	722054264	/nfs/dbraw/zinc/05/42/64/722054264.db2.gz	IBOSODZTOQCDSQ-UHFFFAOYSA-N	0	1	449.555	2.952	20	30		IFEDMN
N#Cc1ccc(Oc2nc(Cl)ncc2N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1	ZINC001164747897	720803206	/nfs/dbraw/zinc/80/32/06/720803206.db2.gz	PQAIJMCFPIXJTM-WMZOPIPTSA-N	0	1	449.902	2.926	20	30		IFEDMN
Cc1c(Cl)c(Cl)nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c1C#N	ZINC001164868530	721266361	/nfs/dbraw/zinc/26/63/61/721266361.db2.gz	ARENVCDWVMWJSJ-UHFFFAOYSA-N	0	1	440.375	2.576	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)O2)CC1	ZINC001164890510	721387587	/nfs/dbraw/zinc/38/75/87/721387587.db2.gz	NRNWSXAPNCCIMV-JXFKEZNVSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)O2)CC1	ZINC001164883908	721409796	/nfs/dbraw/zinc/40/97/96/721409796.db2.gz	CQYRVDLDCNYZEV-ICSRJNTNSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)O2)CC1	ZINC001164887189	721415020	/nfs/dbraw/zinc/41/50/20/721415020.db2.gz	LJMHBDJHNKOTNR-FXAWDEMLSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)O2)CC1	ZINC001164883579	721415486	/nfs/dbraw/zinc/41/54/86/721415486.db2.gz	AZYJQXZHSCVGOP-PXNSSMCTSA-N	0	1	439.938	2.917	20	30		IFEDMN
CCOC(=O)c1cc(C)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C#N	ZINC001164976302	722108359	/nfs/dbraw/zinc/10/83/59/722108359.db2.gz	LBXFETAKHJQTIU-UGKGYDQZSA-N	0	1	435.528	2.561	20	30		IFEDMN
COCCCNC(=S)NN=Cc1cc(Br)cc(Br)c1O	ZINC000263630705	568737377	/nfs/dbraw/zinc/73/73/77/568737377.db2.gz	SLJDJXMPZZUDJL-UHFFFAOYSA-N	0	1	425.146	2.752	20	30		IFEDMN
Cc1nc(C#Cc2ccnc(N3C[C@@H]4[C@H](C3)OCCN4C)c2)c(C)n1-c1ccc(F)cc1	ZINC001164669274	719394412	/nfs/dbraw/zinc/39/44/12/719394412.db2.gz	ULLFLWVNGUHSJZ-RPWUZVMVSA-N	0	1	431.515	2.942	20	30		IFEDMN
N#Cc1cccc(Oc2nc(Cl)ncc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164752595	720803032	/nfs/dbraw/zinc/80/30/32/720803032.db2.gz	ZIIJHCODRIRLOS-FUHWJXTLSA-N	0	1	449.902	2.926	20	30		IFEDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)C1	ZINC001164873850	721292444	/nfs/dbraw/zinc/29/24/44/721292444.db2.gz	BXKBTFCFJSFTSQ-UHFFFAOYSA-N	0	1	439.604	2.574	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)O2)CC1	ZINC001164887191	721414387	/nfs/dbraw/zinc/41/43/87/721414387.db2.gz	LJMHBDJHNKOTNR-XLIONFOSSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)O2)CC1	ZINC001164886659	721415162	/nfs/dbraw/zinc/41/51/62/721415162.db2.gz	KLRLOUQUNIOMFE-FXAWDEMLSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccncc5)ccc4C#N)C3)O2)CC1	ZINC001164898775	721431501	/nfs/dbraw/zinc/43/15/01/721431501.db2.gz	WYMYUNPKYDHJNH-RCZVLFRGSA-N	0	1	432.572	2.781	20	30		IFEDMN
CN1CCN(Cc2cn3c(n2)CN(c2nc4cc(F)ccc4c(Cl)c2C#N)CC3)CC1	ZINC001164796551	721522411	/nfs/dbraw/zinc/52/24/11/721522411.db2.gz	ZUJZIYAQHKMRQQ-UHFFFAOYSA-N	0	1	439.926	2.863	20	30		IFEDMN
CSc1nc(Cl)c(C#N)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164979160	722099024	/nfs/dbraw/zinc/09/90/24/722099024.db2.gz	HFRQTTZJUVJVCY-DOTOQJQBSA-N	0	1	430.965	2.846	20	30		IFEDMN
N#Cc1cccc(Oc2nc(Cl)ncc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164752601	720803255	/nfs/dbraw/zinc/80/32/55/720803255.db2.gz	ZIIJHCODRIRLOS-SJLPKXTDSA-N	0	1	449.902	2.926	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)O2)CC1	ZINC001164887284	721401085	/nfs/dbraw/zinc/40/10/85/721401085.db2.gz	LUBCRMSNDMRRPY-UZLBHIALSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@@H]2CCCO[C@@H]12	ZINC001164803012	721574033	/nfs/dbraw/zinc/57/40/33/721574033.db2.gz	JECIBTVSJMCFJK-CQOQZXRMSA-N	0	1	433.556	2.917	20	30		IFEDMN
CCOC(=O)c1cc(C)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C#N	ZINC001164976290	722108181	/nfs/dbraw/zinc/10/81/81/722108181.db2.gz	LBXFETAKHJQTIU-DENIHFKCSA-N	0	1	435.528	2.561	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)O2)CC1	ZINC001164891035	721384016	/nfs/dbraw/zinc/38/40/16/721384016.db2.gz	QDDMFDVCAORAMS-XLIONFOSSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)C3)O2)CC1	ZINC001164887780	721390713	/nfs/dbraw/zinc/39/07/13/721390713.db2.gz	IIHFKWUKBFJARV-WZONZLPQSA-N	0	1	440.979	2.920	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)O2)CC1	ZINC001164887190	721414957	/nfs/dbraw/zinc/41/49/57/721414957.db2.gz	LJMHBDJHNKOTNR-PXNSSMCTSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN(C)C(=O)CN1CCC2(CCCN2c2ccc([C@H](C#N)c3ccccc3F)nn2)CC1	ZINC001165009435	721739869	/nfs/dbraw/zinc/73/98/69/721739869.db2.gz	DASKSZDNJFFNDC-LJQANCHMSA-N	0	1	436.535	2.794	20	30		IFEDMN
CSc1nc(-c2ccccc2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C#N	ZINC001164741689	720723380	/nfs/dbraw/zinc/72/33/80/720723380.db2.gz	MVOSELGPULJHCX-ZWKOTPCHSA-N	0	1	445.552	2.869	20	30		IFEDMN
CSc1nc(-c2ccccc2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C#N	ZINC001164741681	720724237	/nfs/dbraw/zinc/72/42/37/720724237.db2.gz	MVOSELGPULJHCX-ROUUACIJSA-N	0	1	445.552	2.869	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)O2)CC1	ZINC001164890511	721387828	/nfs/dbraw/zinc/38/78/28/721387828.db2.gz	NRNWSXAPNCCIMV-OXJNMPFZSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)C3)O2)CC1	ZINC001164887778	721390539	/nfs/dbraw/zinc/39/05/39/721390539.db2.gz	IIHFKWUKBFJARV-JPYJTQIMSA-N	0	1	440.979	2.920	20	30		IFEDMN
Cc1ccc([C@H](C#N)c2ccc(N3CCCC34CCN(CC(=O)N(C)C)CC4)nn2)cc1	ZINC001165008802	721730823	/nfs/dbraw/zinc/73/08/23/721730823.db2.gz	RFZGBWCFFONNON-NRFANRHFSA-N	0	1	432.572	2.964	20	30		IFEDMN
CCOC(=O)c1cc(C)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C#N	ZINC001164976294	722108235	/nfs/dbraw/zinc/10/82/35/722108235.db2.gz	LBXFETAKHJQTIU-KNQAVFIVSA-N	0	1	435.528	2.561	20	30		IFEDMN
Cc1nc(C#Cc2ccnc(N3C[C@@H]4OCCN(C)[C@H]4C3)c2)c(C)n1-c1ccc(F)cc1	ZINC001164669275	719393973	/nfs/dbraw/zinc/39/39/73/719393973.db2.gz	ULLFLWVNGUHSJZ-ZEQRLZLVSA-N	0	1	431.515	2.942	20	30		IFEDMN
N#Cc1ccc(Oc2nc(Cl)ncc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1	ZINC001164747892	720802800	/nfs/dbraw/zinc/80/28/00/720802800.db2.gz	PQAIJMCFPIXJTM-SJLPKXTDSA-N	0	1	449.902	2.926	20	30		IFEDMN
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164750363	720803050	/nfs/dbraw/zinc/80/30/50/720803050.db2.gz	VKGUORFIWUYJFJ-IRXDYDNUSA-N	0	1	449.902	2.926	20	30		IFEDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)O2)CC1	ZINC001164891029	721384365	/nfs/dbraw/zinc/38/43/65/721384365.db2.gz	QDDMFDVCAORAMS-FXAWDEMLSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)O2)CC1	ZINC001164890512	721388121	/nfs/dbraw/zinc/38/81/21/721388121.db2.gz	NRNWSXAPNCCIMV-OXQOHEQNSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)O2)CC1	ZINC001164883909	721409457	/nfs/dbraw/zinc/40/94/57/721409457.db2.gz	CQYRVDLDCNYZEV-QUCCMNQESA-N	0	1	439.938	2.917	20	30		IFEDMN
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@H]2CCCO[C@H]12	ZINC001164803019	721573539	/nfs/dbraw/zinc/57/35/39/721573539.db2.gz	JECIBTVSJMCFJK-ZDXQCDESSA-N	0	1	433.556	2.917	20	30		IFEDMN
Cc1ccc([C@@H](C#N)c2ccc(N3CCCC34CCN(CC(=O)N(C)C)CC4)nn2)cc1	ZINC001165008803	721731366	/nfs/dbraw/zinc/73/13/66/721731366.db2.gz	RFZGBWCFFONNON-OAQYLSRUSA-N	0	1	432.572	2.964	20	30		IFEDMN
N#Cc1ccc(Oc2nc(Cl)ncc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1	ZINC001164747888	720802993	/nfs/dbraw/zinc/80/29/93/720802993.db2.gz	PQAIJMCFPIXJTM-FUHWJXTLSA-N	0	1	449.902	2.926	20	30		IFEDMN
COc1cc(C(F)(F)N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c(C#N)c(Cl)n1	ZINC001164771387	721160895	/nfs/dbraw/zinc/16/08/95/721160895.db2.gz	SMLCXAQYGHIJNK-GJZGRUSLSA-N	0	1	436.894	2.852	20	30		IFEDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3nc4ccccc4c(Cl)c3C#N)CC2)C1	ZINC001164875359	721283299	/nfs/dbraw/zinc/28/32/99/721283299.db2.gz	VUBSYXWLYLVZKI-UHFFFAOYSA-N	0	1	441.963	2.767	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)O2)CC1	ZINC001164887282	721401271	/nfs/dbraw/zinc/40/12/71/721401271.db2.gz	LUBCRMSNDMRRPY-OXQOHEQNSA-N	0	1	439.938	2.917	20	30		IFEDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)O2)CC1	ZINC001164887194	721414627	/nfs/dbraw/zinc/41/46/27/721414627.db2.gz	LJMHBDJHNKOTNR-YLJYHZDGSA-N	0	1	439.938	2.917	20	30		IFEDMN
C=CCN1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccccc2)CC1	ZINC001165032377	721870287	/nfs/dbraw/zinc/87/02/87/721870287.db2.gz	PEBBLVZDHLZWCK-NRFANRHFSA-N	0	1	433.537	2.976	20	30		IFEDMN