smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161196255	290734095	/nfs/dbraw/zinc/73/40/95/290734095.db2.gz	GMHLSOXSOQJHGT-NWDGAFQWSA-N	0	0	293.371	0.803	10	70		CCIERN
Cc1conc1NC(=O)C(=O)N1CCS[C@@H](C)C1	ZINC000161043417	350711129	/nfs/dbraw/zinc/71/11/29/350711129.db2.gz	JKDCWGREYCJNBS-QMMMGPOBSA-N	0	0	269.326	0.885	10	70		CCIERN
Cn1cnc2cc(C(=O)NC[C@@H]3CCC[C@@H]3O)cnc21	ZINC000159911729	350691415	/nfs/dbraw/zinc/69/14/15/350691415.db2.gz	LTXGTVSAZXRCHU-CABZTGNLSA-N	0	0	274.324	0.859	10	70		CCIERN
COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C)n[nH]1	ZINC000159955055	188448551	/nfs/dbraw/zinc/44/85/51/188448551.db2.gz	XBXSMZYPCOMXIX-SECBINFHSA-N	0	0	290.327	0.721	10	70		CCIERN
CC(=O)Nc1cc(C#N)cc(S(=O)(=O)Cl)n1	ZINC000103605356	264248923	/nfs/dbraw/zinc/24/89/23/264248923.db2.gz	XAYRIFFRRMVGTA-UHFFFAOYSA-N	0	0	259.674	0.839	10	70		CCIERN
O=C([C@@H]1COCCN1)N1CCS[C@@H]2CCCC[C@H]21	ZINC000161426968	275006153	/nfs/dbraw/zinc/00/61/53/275006153.db2.gz	JIAIRDBSSWHUBU-QJPTWQEYSA-N	0	0	270.398	0.861	10	70		CCIERN
CC(C)NS(=O)(=O)N1CCO[C@H]2CCCC[C@H]21	ZINC000216853284	279614313	/nfs/dbraw/zinc/61/43/13/279614313.db2.gz	BQXHWTTTYJUHBU-MNOVXSKESA-N	0	0	262.375	0.873	10	70		CCIERN
C[C@@H](CCO)NC(=O)Nc1ccnn1C[C@@H]1CCOC1	ZINC000159662600	524512786	/nfs/dbraw/zinc/51/27/86/524512786.db2.gz	WAJHKJAQUHEWHP-QWRGUYRKSA-N	0	0	282.344	0.812	10	70		CCIERN
Cc1noc([C@H]2COCCN2CCCN2CCOCC2)n1	ZINC000160860061	526672504	/nfs/dbraw/zinc/67/25/04/526672504.db2.gz	JFRFEJVRYJFECC-CYBMUJFWSA-N	0	0	296.371	0.474	10	70		CCIERN
CC[C@H](COC)NC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161060222	350711201	/nfs/dbraw/zinc/71/12/01/350711201.db2.gz	YNMFYNNOMSNUNY-NXEZZACHSA-N	0	0	267.333	0.317	10	70		CCIERN
O=C1NCCCC[C@H]1SCCN1CCOCC1	ZINC000159960514	350693243	/nfs/dbraw/zinc/69/32/43/350693243.db2.gz	MWZZUKXQYQZVGT-LLVKDONJSA-N	0	0	258.387	0.721	10	70		CCIERN
CN(C(=O)c1cnc2c(c1)ncn2C)[C@@H]1CCOC1	ZINC000160421074	389388504	/nfs/dbraw/zinc/38/85/04/389388504.db2.gz	TZJNMIHVLBSJLJ-SNVBAGLBSA-N	0	0	260.297	0.829	10	70		CCIERN
CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161196012	290734107	/nfs/dbraw/zinc/73/41/07/290734107.db2.gz	GMHLSOXSOQJHGT-VXGBXAGGSA-N	0	0	293.371	0.803	10	70		CCIERN
CN(CCO)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217287110	351945664	/nfs/dbraw/zinc/94/56/64/351945664.db2.gz	DMQPTAUYUVLWEA-CYBMUJFWSA-N	0	0	291.351	0.421	10	70		CCIERN
C[C@@H](C(=O)N(C)C)N1CCO[C@@](C)(c2cnn(C)c2)C1	ZINC000159471674	389367866	/nfs/dbraw/zinc/36/78/66/389367866.db2.gz	VGDJFZCIJGTSOE-SMDDNHRTSA-N	0	0	280.372	0.444	10	70		CCIERN
CC(C)(C)c1nsc(N2CCN(C(=O)CO)CC2)n1	ZINC000160131128	389381589	/nfs/dbraw/zinc/38/15/89/389381589.db2.gz	SOROKLCYGMIGPR-UHFFFAOYSA-N	0	0	284.385	0.477	10	70		CCIERN
CC[C@@](C)(O)CNC(=O)c1cnc2c(c1)ncn2C	ZINC000160663267	389395826	/nfs/dbraw/zinc/39/58/26/389395826.db2.gz	DHEHVEKWRFRPJD-CYBMUJFWSA-N	0	0	262.313	0.859	10	70		CCIERN
C[C@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)C[C@H]1O	ZINC000161090901	389403822	/nfs/dbraw/zinc/40/38/22/389403822.db2.gz	NKDRZSYGMZPOMO-JOYOIKCWSA-N	0	0	274.324	0.811	10	70		CCIERN
C[C@@H]1OCC[C@@H]1NC(=O)c1cnc2c(c1)ncn2C	ZINC000161032889	288892271	/nfs/dbraw/zinc/89/22/71/288892271.db2.gz	KWZHLLMRKAQQBH-WPRPVWTQSA-N	0	0	260.297	0.876	10	70		CCIERN
COCCN(CC(C)C)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161328917	523676303	/nfs/dbraw/zinc/67/63/03/523676303.db2.gz	GRCVMQIGVCNAHV-LBPRGKRZSA-N	0	0	295.387	0.907	10	70		CCIERN
C[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)n1cncn1	ZINC000160426759	525994735	/nfs/dbraw/zinc/99/47/35/525994735.db2.gz	RCPQTWFJEPDTAI-BZPMIXESSA-N	0	0	278.356	0.993	10	70		CCIERN
O=C(Cn1cccnc1=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160478015	527390481	/nfs/dbraw/zinc/39/04/81/527390481.db2.gz	KNIHQZKTWYRCSW-IUODEOHRSA-N	0	0	291.351	0.397	10	70		CCIERN
Cn1nc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1=O	ZINC000160459708	527542337	/nfs/dbraw/zinc/54/23/37/527542337.db2.gz	NOAYXCWYSDFDCO-ABAIWWIYSA-N	0	0	291.351	0.548	10	70		CCIERN
C[C@H](CNC(=O)N1CCO[C@@H](C)[C@@H]1C)N1CCOCC1	ZINC000159891081	389376127	/nfs/dbraw/zinc/37/61/27/389376127.db2.gz	RQDLWFACIWCAGV-AGIUHOORSA-N	0	0	285.388	0.526	10	70		CCIERN
CCC(O)(CC)CNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C	ZINC000160225298	389383006	/nfs/dbraw/zinc/38/30/06/389383006.db2.gz	MYSFBNQXMJQNLO-QWRGUYRKSA-N	0	0	294.417	0.481	10	70		CCIERN
C[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CC(C)(C)O1	ZINC000161160113	287933241	/nfs/dbraw/zinc/93/32/41/287933241.db2.gz	LUSXRLMAFRCVCW-GHMZBOCLSA-N	0	0	293.371	0.802	10	70		CCIERN
C[C@@H]1COCCN1C(=O)N[C@H]1CCc2ncnn2C1	ZINC000160930084	288338820	/nfs/dbraw/zinc/33/88/20/288338820.db2.gz	SCLZXLVSTZMPLG-ZJUUUORDSA-N	0	0	265.317	0.023	10	70		CCIERN
C[C@@H]1CN(S(=O)(=O)NC2(C)CCOCC2)[C@H](C)CO1	ZINC000160981861	297056938	/nfs/dbraw/zinc/05/69/38/297056938.db2.gz	LXJFYMOHHRMLTB-GHMZBOCLSA-N	0	0	292.401	0.499	10	70		CCIERN
CCN(C)C(=O)CCN1CCOC[C@@H]1c1nc(C)no1	ZINC000161155621	520144938	/nfs/dbraw/zinc/14/49/38/520144938.db2.gz	UYIOLSBKBCQPAK-LLVKDONJSA-N	0	0	282.344	0.620	10	70		CCIERN
CCC[C@H](NC(=O)CNC(C)=O)C(=O)OC(C)(C)C	ZINC000161347979	521124695	/nfs/dbraw/zinc/12/46/95/521124695.db2.gz	IQCXCDXTGIBOHR-JTQLQIEISA-N	0	0	272.345	0.749	10	70		CCIERN
CCC(O)(CC)CNC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161312682	521654092	/nfs/dbraw/zinc/65/40/92/521654092.db2.gz	STPZEELBKBXKMW-SNVBAGLBSA-N	0	0	281.360	0.443	10	70		CCIERN
COc1ccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)nn1	ZINC000160401232	523709845	/nfs/dbraw/zinc/70/98/45/523709845.db2.gz	WRANOIHSIBMWDZ-NSHDSACASA-N	0	0	292.339	0.078	10	70		CCIERN
CCS(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000159374564	350676759	/nfs/dbraw/zinc/67/67/59/350676759.db2.gz	SOBUMULQEVDPBD-SECBINFHSA-N	0	0	272.374	0.656	10	70		CCIERN
CN1CCO[C@@H]2CN(C(=O)CNC(=O)CC(C)(C)C)C[C@@H]21	ZINC000159700251	350685284	/nfs/dbraw/zinc/68/52/84/350685284.db2.gz	RKZXOCWYDPZFKP-NWDGAFQWSA-N	0	0	297.399	0.080	10	70		CCIERN
Nc1ncn(CC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)n1	ZINC000160310998	350698686	/nfs/dbraw/zinc/69/86/86/350698686.db2.gz	MXOJBASFCHCFDY-GWCFXTLKSA-N	0	0	279.344	0.014	10	70		CCIERN
CC[C@@](C)(O)CN1CCO[C@H](c2nnc(C)[nH]2)C1	ZINC000161297036	287394249	/nfs/dbraw/zinc/39/42/49/287394249.db2.gz	KFTIUWWBNWMZFO-CMPLNLGQSA-N	0	0	254.334	0.647	10	70		CCIERN
CCNC(=O)CN1CCC[C@@H](c2nncn2CC)C1	ZINC000161427222	521737210	/nfs/dbraw/zinc/73/72/10/521737210.db2.gz	KPOVUMYYOVWTGT-LLVKDONJSA-N	0	0	265.361	0.614	10	70		CCIERN
COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCn3ccnc3C2)C1	ZINC000161193620	523682637	/nfs/dbraw/zinc/68/26/37/523682637.db2.gz	DLHYKNJWSGZSPE-VXGBXAGGSA-N	0	0	291.351	0.857	10	70		CCIERN
COc1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)nn1	ZINC000160401090	523706823	/nfs/dbraw/zinc/70/68/23/523706823.db2.gz	WRANOIHSIBMWDZ-LLVKDONJSA-N	0	0	292.339	0.078	10	70		CCIERN
C[C@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CCS1	ZINC000161195221	290718715	/nfs/dbraw/zinc/71/87/15/290718715.db2.gz	YLQHQLCPQSSYQH-VHSXEESVSA-N	0	0	281.385	0.740	10	70		CCIERN
CON(C)C(=O)C1(c2cnc(C)nc2)CCOCC1	ZINC000217353438	351946816	/nfs/dbraw/zinc/94/68/16/351946816.db2.gz	NAORJLWKBUCQQX-UHFFFAOYSA-N	0	0	265.313	0.853	10	70		CCIERN
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC1	ZINC000217760254	389134693	/nfs/dbraw/zinc/13/46/93/389134693.db2.gz	KPVAUGYRPAMACH-ZJUUUORDSA-N	0	0	270.329	0.589	10	70		CCIERN
Cc1cnn(C[C@H]2CN(C(=O)C[C@H](O)C(C)C)CCO2)c1	ZINC000159773136	389372530	/nfs/dbraw/zinc/37/25/30/389372530.db2.gz	PQDVYVQMZPXDGI-KGLIPLIRSA-N	0	0	295.383	0.826	10	70		CCIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(C2CC2)CC1	ZINC000161358287	279922634	/nfs/dbraw/zinc/92/26/34/279922634.db2.gz	DAOQTNRBDSTVRZ-LLVKDONJSA-N	0	0	290.371	0.083	10	70		CCIERN
CC[C@@H](CO)NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000161502894	522566139	/nfs/dbraw/zinc/56/61/39/522566139.db2.gz	HQJNQWYFYAXQGO-WDEREUQCSA-N	0	0	295.387	0.786	10	70		CCIERN
CN(CCOCc1ccccc1)C(=O)[C@H]1CNC(=O)C1	ZINC000159417009	389366860	/nfs/dbraw/zinc/36/68/60/389366860.db2.gz	BDVYGSPAWVVWGH-CYBMUJFWSA-N	0	0	276.336	0.798	10	70		CCIERN
COc1c(CNC(=O)N2CCOCC2)c(C)nn1C	ZINC000160345077	389386555	/nfs/dbraw/zinc/38/65/55/389386555.db2.gz	KNSUKZYTTOKRRQ-UHFFFAOYSA-N	0	0	268.317	0.279	10	70		CCIERN
CCn1cnnc1[C@H]1CCCN(CC(=O)N(C)C)C1	ZINC000161305984	523605173	/nfs/dbraw/zinc/60/51/73/523605173.db2.gz	QDHOSCRJUNWMDN-NSHDSACASA-N	0	0	265.361	0.566	10	70		CCIERN
CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](CC)COC)CC2	ZINC000160061038	136841615	/nfs/dbraw/zinc/84/16/15/136841615.db2.gz	DMZDWPAFKKMJCC-GHMZBOCLSA-N	0	0	295.387	0.880	10	70		CCIERN
COc1cc(OC)nc(N[C@H]2CCC(=O)N(C)C2=O)n1	ZINC000159792146	277387733	/nfs/dbraw/zinc/38/77/33/277387733.db2.gz	VHDNYJGANLSJKM-ZETCQYMHSA-N	0	0	280.284	0.053	10	70		CCIERN
Nc1ncn(CC(=O)NC2C3CC4CC(C3)CC2C4)n1	ZINC000216733298	581894958	/nfs/dbraw/zinc/89/49/58/581894958.db2.gz	DMQJLVMEWUYNDU-UHFFFAOYSA-N	0	0	275.356	0.801	10	70		CCIERN
O=C(N[C@H]1CCOC2(CCCC2)C1)C1=NNC(=O)CC1	ZINC000161284500	303974115	/nfs/dbraw/zinc/97/41/15/303974115.db2.gz	OOHDLDYHRLHJGH-JTQLQIEISA-N	0	0	279.340	0.860	10	70		CCIERN
C[C@H](NC(=O)C(C)(C)C)C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1	ZINC000159658495	350684160	/nfs/dbraw/zinc/68/41/60/350684160.db2.gz	SZRQASFQTDJVML-QJPTWQEYSA-N	0	0	297.399	0.079	10	70		CCIERN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C)n[nH]1	ZINC000159955185	188448156	/nfs/dbraw/zinc/44/81/56/188448156.db2.gz	XBXSMZYPCOMXIX-VIFPVBQESA-N	0	0	290.327	0.721	10	70		CCIERN
CCC[C@H](O)CNC(=O)N[C@H]1CCc2ncnn2C1	ZINC000161296821	188520428	/nfs/dbraw/zinc/52/04/28/188520428.db2.gz	IJPSXMPCLGWPMO-UWVGGRQHSA-N	0	0	267.333	0.053	10	70		CCIERN
C[C@H]1CC[C@H](C(=O)NCCNC(=O)c2ccc(O)cc2)O1	ZINC000159634867	389370780	/nfs/dbraw/zinc/37/07/80/389370780.db2.gz	QTDQJBBBBRWVLT-GXFFZTMASA-N	0	0	292.335	0.806	10	70		CCIERN
C[C@@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CC(C)(C)O1	ZINC000161160293	389404477	/nfs/dbraw/zinc/40/44/77/389404477.db2.gz	LUSXRLMAFRCVCW-MNOVXSKESA-N	0	0	293.371	0.802	10	70		CCIERN
CN1C[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1=O	ZINC000160350264	524019312	/nfs/dbraw/zinc/01/93/12/524019312.db2.gz	HHWWYPSUAJPKAI-JMSVASOKSA-N	0	0	280.368	0.618	10	70		CCIERN
O=S(=O)(C1CC1)N1CCC(c2ccnn2CCO)CC1	ZINC000160794188	527161865	/nfs/dbraw/zinc/16/18/65/527161865.db2.gz	SUHOXHXOYDKUNX-UHFFFAOYSA-N	0	0	299.396	0.547	10	70		CCIERN
CC(C)NC(=O)CN(C)C(=O)c1cnc2c(c1)ncn2C	ZINC000159676576	350684824	/nfs/dbraw/zinc/68/48/24/350684824.db2.gz	GYRAVGANLXRDJO-UHFFFAOYSA-N	0	0	289.339	0.565	10	70		CCIERN
COCCS(=O)(=O)N1CCC(Cn2cccn2)CC1	ZINC000159418804	389366782	/nfs/dbraw/zinc/36/67/82/389366782.db2.gz	MVUWNDGQWGYPGR-UHFFFAOYSA-N	0	0	287.385	0.571	10	70		CCIERN
Cn1cnc2cc(C(=O)N3CCN(C4CC4)CC3)cnc21	ZINC000160254826	389384873	/nfs/dbraw/zinc/38/48/73/389384873.db2.gz	KRVTVKLLGSAMOM-UHFFFAOYSA-N	0	0	285.351	0.889	10	70		CCIERN
Cc1cc(C)n2c(CN3CCC[C@H]3C(N)=O)cnc2n1	ZINC000160335352	389387015	/nfs/dbraw/zinc/38/70/15/389387015.db2.gz	BMDJXYIRVUJYKK-LBPRGKRZSA-N	0	0	273.340	0.796	10	70		CCIERN
CN(C(=O)c1cnc2c(c1)ncn2C)[C@H]1CCOC1	ZINC000160421179	389388463	/nfs/dbraw/zinc/38/84/63/389388463.db2.gz	TZJNMIHVLBSJLJ-JTQLQIEISA-N	0	0	260.297	0.829	10	70		CCIERN
COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@H]1C)CC2	ZINC000160761515	523228633	/nfs/dbraw/zinc/22/86/33/523228633.db2.gz	UPYIQNBNHVUUSK-BBBLOLIVSA-N	0	0	279.344	0.447	10	70		CCIERN
CCn1cnnc1[C@@H]1CCCN(CC(=O)OC)C1	ZINC000161423367	523596334	/nfs/dbraw/zinc/59/63/34/523596334.db2.gz	YYFFUMHJHXJMNF-SNVBAGLBSA-N	0	0	252.318	0.650	10	70		CCIERN
CO[C@@]1(CNS(=O)(=O)c2ccc(O)cc2)CCOC1	ZINC000160830773	523816554	/nfs/dbraw/zinc/81/65/54/523816554.db2.gz	SCMKPCHAXUUUAX-GFCCVEGCSA-N	0	0	287.337	0.476	10	70		CCIERN
Cc1nsc(N2CCN(C(=O)C[C@H](O)C(C)C)CC2)n1	ZINC000160961141	350709005	/nfs/dbraw/zinc/70/90/05/350709005.db2.gz	XZFTXBTZXVQDOZ-NSHDSACASA-N	0	0	298.412	0.902	10	70		CCIERN
C[C@@H](CO)CNS(=O)(=O)c1ccc2c(c1)N(C)CCC2	ZINC000159736376	350686933	/nfs/dbraw/zinc/68/69/33/350686933.db2.gz	JFYFHGCRARHJDN-LLVKDONJSA-N	0	0	298.408	0.976	10	70		CCIERN
CCNC(=O)C1CN(C(=O)c2cnc3c(c2)ncn3C)C1	ZINC000159943597	350692271	/nfs/dbraw/zinc/69/22/71/350692271.db2.gz	JQTJDZIUSBAVIT-UHFFFAOYSA-N	0	0	287.323	0.176	10	70		CCIERN
O=C(NCCO)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217287176	351946135	/nfs/dbraw/zinc/94/61/35/351946135.db2.gz	RQQDCPBSOTVTFB-GFCCVEGCSA-N	0	0	277.324	0.079	10	70		CCIERN
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCO[C@H](CO)C1	ZINC000160369966	389387627	/nfs/dbraw/zinc/38/76/27/389387627.db2.gz	JHEVNMGPFWNFSU-AGIUHOORSA-N	0	0	284.356	0.347	10	70		CCIERN
Cc1noc([C@@H]2COCCN2CCn2cccn2)n1	ZINC000160794971	389399913	/nfs/dbraw/zinc/39/99/13/389399913.db2.gz	VDDDDWQNNRAZGA-NSHDSACASA-N	0	0	263.301	0.648	10	70		CCIERN
Cn1cnc2cc(C(=O)N[C@H]3CCCn4ncnc43)cnc21	ZINC000160747973	294475761	/nfs/dbraw/zinc/47/57/61/294475761.db2.gz	BQMPSYOZIOPNBN-JTQLQIEISA-N	0	0	297.322	0.825	10	70		CCIERN
O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)C1=NNC(=O)CC1	ZINC000159897556	303863832	/nfs/dbraw/zinc/86/38/32/303863832.db2.gz	NOGMZACEFOCESM-IQJOONFLSA-N	0	0	265.313	0.326	10	70		CCIERN
CCCNC(=O)CS(=O)(=O)Cc1nccn1C(C)C	ZINC000161211681	519881569	/nfs/dbraw/zinc/88/15/69/519881569.db2.gz	KEMVXGRBZOJWEV-UHFFFAOYSA-N	0	0	287.385	0.905	10	70		CCIERN
Cc1noc([C@@H]2COCCN2CCCN2CCOCC2)n1	ZINC000160859975	526657752	/nfs/dbraw/zinc/65/77/52/526657752.db2.gz	JFRFEJVRYJFECC-ZDUSSCGKSA-N	0	0	296.371	0.474	10	70		CCIERN
Cc1noc([C@@H]2COCCN2C[C@H](O)COC(C)(C)C)n1	ZINC000160837858	526658853	/nfs/dbraw/zinc/65/88/53/526658853.db2.gz	NJMDAGKUUJASJU-RYUDHWBXSA-N	0	0	299.371	0.927	10	70		CCIERN
COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H]1COCCN1	ZINC000161049772	350711091	/nfs/dbraw/zinc/71/10/91/350711091.db2.gz	BVFDIMMOWKHQDL-KOLCDFICSA-N	0	0	282.315	1.000	10	70		CCIERN
CC(C)[C@H](O)CC(=O)N[C@@H]1CCN(C(C)C)C1=O	ZINC000160185082	350695978	/nfs/dbraw/zinc/69/59/78/350695978.db2.gz	KAHWBBDOWIPNRC-GHMZBOCLSA-N	0	0	256.346	0.519	10	70		CCIERN
O=C1CCC(=O)N1CCN1CCO[C@H](c2nccs2)C1	ZINC000161443169	350721139	/nfs/dbraw/zinc/72/11/39/350721139.db2.gz	ZJXOSEAOELBALM-JTQLQIEISA-N	0	0	295.364	0.665	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCc2n[nH]cc2C1	ZINC000160003446	283443719	/nfs/dbraw/zinc/44/37/19/283443719.db2.gz	OTOHWXSRTBUWRL-ZYHUDNBSSA-N	0	0	291.355	0.187	10	70		CCIERN
CC[C@@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CCO1	ZINC000161174279	248992368	/nfs/dbraw/zinc/99/23/68/248992368.db2.gz	XQYQKGKKRVRLHK-WDEREUQCSA-N	0	0	279.344	0.413	10	70		CCIERN
CS[C@@H](C)CNC(=O)N[C@H]1CCN(C(C)=O)C1	ZINC000160423671	389388428	/nfs/dbraw/zinc/38/84/28/389388428.db2.gz	NYMJSQDCYSPLCB-WPRPVWTQSA-N	0	0	259.375	0.658	10	70		CCIERN
Cn1cnc2cc(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)cnc21	ZINC000160709627	389397580	/nfs/dbraw/zinc/39/75/80/389397580.db2.gz	HURGFMJATOTKDL-SNVBAGLBSA-N	0	0	299.334	0.461	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H](CCO)CC(C)C	ZINC000159373044	544692733	/nfs/dbraw/zinc/69/27/33/544692733.db2.gz	ZGTPNTMCYNBRKZ-OLZOCXBDSA-N	0	0	299.415	0.951	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H](CCO)CC(C)C	ZINC000159372905	544693630	/nfs/dbraw/zinc/69/36/30/544693630.db2.gz	ZGTPNTMCYNBRKZ-QWHCGFSZSA-N	0	0	299.415	0.951	10	70		CCIERN
CC(C)(C)[C@@H](O)CNC(=O)CSc1nnnn1C1CC1	ZINC000159655442	350683990	/nfs/dbraw/zinc/68/39/90/350683990.db2.gz	HCEVYRQFPVWAHP-VIFPVBQESA-N	0	0	299.400	0.623	10	70		CCIERN
Nc1ncn(CC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)n1	ZINC000160310743	350698761	/nfs/dbraw/zinc/69/87/61/350698761.db2.gz	MXOJBASFCHCFDY-MFKMUULPSA-N	0	0	279.344	0.014	10	70		CCIERN
CCCN(CCO)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161341229	350718631	/nfs/dbraw/zinc/71/86/31/350718631.db2.gz	SLISNVVAANRZNZ-SNVBAGLBSA-N	0	0	267.333	0.007	10	70		CCIERN
O=C(NCCO)N[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217287174	351946138	/nfs/dbraw/zinc/94/61/38/351946138.db2.gz	RQQDCPBSOTVTFB-LBPRGKRZSA-N	0	0	277.324	0.079	10	70		CCIERN
CCC[C@@H](O)CNC(=O)N[C@H]1CCc2ncnn2C1	ZINC000161296925	188520826	/nfs/dbraw/zinc/52/08/26/188520826.db2.gz	IJPSXMPCLGWPMO-VHSXEESVSA-N	0	0	267.333	0.053	10	70		CCIERN
O=C([C@@H]1COCCN1)N1CCS[C@@H]2CCCC[C@@H]21	ZINC000161427167	296056555	/nfs/dbraw/zinc/05/65/55/296056555.db2.gz	JIAIRDBSSWHUBU-SDDRHHMPSA-N	0	0	270.398	0.861	10	70		CCIERN
O=C(NCC1(O)CCCC1)N[C@@H]1CCc2ncnn2C1	ZINC000161247639	248992153	/nfs/dbraw/zinc/99/21/53/248992153.db2.gz	PHPYUXUOPKJLCI-SNVBAGLBSA-N	0	0	279.344	0.197	10	70		CCIERN
C[C@H](CNC(=O)N1CCO[C@@H](C)[C@H]1C)N1CCOCC1	ZINC000159890976	389375582	/nfs/dbraw/zinc/37/55/82/389375582.db2.gz	RQDLWFACIWCAGV-UPJWGTAASA-N	0	0	285.388	0.526	10	70		CCIERN
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H]1COCCN1	ZINC000160861496	389401301	/nfs/dbraw/zinc/40/13/01/389401301.db2.gz	RJJKDVBQJMLQSG-LSDHHAIUSA-N	0	0	292.379	0.865	10	70		CCIERN
COC(=O)c1cc(C#N)cc(S(=O)(=O)Cl)n1	ZINC000103605365	264276150	/nfs/dbraw/zinc/27/61/50/264276150.db2.gz	WVDHPBJAYNUZQM-UHFFFAOYSA-N	0	0	260.658	0.667	10	70		CCIERN
C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCc1ccncc1	ZINC000159487535	288384517	/nfs/dbraw/zinc/38/45/17/288384517.db2.gz	GXYVCMOBZQGUEX-MNOVXSKESA-N	0	0	285.369	0.525	10	70		CCIERN
CCN(C[C@@H](C)C(=O)OC)c1nn2c(nccc2=O)s1	ZINC000159591943	521200384	/nfs/dbraw/zinc/20/03/84/521200384.db2.gz	KMTPGFKGCNVDHV-MRVPVSSYSA-N	0	0	296.352	0.786	10	70		CCIERN
C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)O1	ZINC000160698037	350704830	/nfs/dbraw/zinc/70/48/30/350704830.db2.gz	MNLCSYDTNWAIAQ-DDHJBXDOSA-N	0	0	266.341	0.681	10	70		CCIERN
CC[C@@H](COC)NC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161060090	350711373	/nfs/dbraw/zinc/71/13/73/350711373.db2.gz	YNMFYNNOMSNUNY-VHSXEESVSA-N	0	0	267.333	0.317	10	70		CCIERN
C[C@H](CNC(=O)c1cccc(F)n1)N1CCOCC1	ZINC000161482899	350722403	/nfs/dbraw/zinc/72/24/03/350722403.db2.gz	RQWIUAFQCHLIHK-SNVBAGLBSA-N	0	0	267.304	0.671	10	70		CCIERN
Cc1noc(CN2CCO[C@@](C)(c3cnn(C)c3)C2)n1	ZINC000159371243	389365823	/nfs/dbraw/zinc/36/58/23/389365823.db2.gz	DCSOFNWPONADJZ-CYBMUJFWSA-N	0	0	277.328	0.859	10	70		CCIERN
Cc1c(C(=O)NC[C@@H]2CN(C)CCO2)cnn1CC(C)C	ZINC000161170660	350714899	/nfs/dbraw/zinc/71/48/99/350714899.db2.gz	BZIBTUCQABGWRD-CYBMUJFWSA-N	0	0	294.399	0.908	10	70		CCIERN
COCCCOC1CN(C(=O)[C@H]2CC[C@H](C)O2)C1	ZINC000159373944	350676682	/nfs/dbraw/zinc/67/66/82/350676682.db2.gz	XBYYZCILLTZTEA-CMPLNLGQSA-N	0	0	257.330	0.818	10	70		CCIERN
C[C@H](CO)CNS(=O)(=O)c1ccc2c(c1)N(C)CCC2	ZINC000159736270	350687298	/nfs/dbraw/zinc/68/72/98/350687298.db2.gz	JFYFHGCRARHJDN-NSHDSACASA-N	0	0	298.408	0.976	10	70		CCIERN
Nc1ncn(CC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)n1	ZINC000160310611	350698614	/nfs/dbraw/zinc/69/86/14/350698614.db2.gz	MXOJBASFCHCFDY-ZWNOBZJWSA-N	0	0	279.344	0.014	10	70		CCIERN
COc1ccc(N(C)C(=O)[C@H]2CNC(=O)C2)cc1F	ZINC000159841077	188443835	/nfs/dbraw/zinc/44/38/35/188443835.db2.gz	AXQKQRNYEXLZJV-MRVPVSSYSA-N	0	0	266.272	0.933	10	70		CCIERN
CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](O)C(C)(C)C	ZINC000159670773	389370932	/nfs/dbraw/zinc/37/09/32/389370932.db2.gz	GEVHOVKUHWKSBZ-VHSXEESVSA-N	0	0	274.386	0.431	10	70		CCIERN
CS[C@H](C)CNC(=O)N[C@H]1CCN(C(C)=O)C1	ZINC000160423782	389388897	/nfs/dbraw/zinc/38/88/97/389388897.db2.gz	NYMJSQDCYSPLCB-SCZZXKLOSA-N	0	0	259.375	0.658	10	70		CCIERN
CCn1cnnc1[C@@H]1CCCN(CC(=O)NC2CC2)C1	ZINC000161312064	523596591	/nfs/dbraw/zinc/59/65/91/523596591.db2.gz	OGGCODLUCGZJAU-LLVKDONJSA-N	0	0	277.372	0.756	10	70		CCIERN
C[C@H](C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)n1cncn1	ZINC000160426532	525998040	/nfs/dbraw/zinc/99/80/40/525998040.db2.gz	RCPQTWFJEPDTAI-YRGRVCCFSA-N	0	0	278.356	0.993	10	70		CCIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCCSCC1	ZINC000161087597	295798580	/nfs/dbraw/zinc/79/85/80/295798580.db2.gz	WRNVJIBNAFWYPR-SNVBAGLBSA-N	0	0	281.385	0.741	10	70		CCIERN
Cn1cnnc1CN1CCC(c2ccnn2C)CC1	ZINC000160900785	350708565	/nfs/dbraw/zinc/70/85/65/350708565.db2.gz	KVFPPPAMVIWHNI-UHFFFAOYSA-N	0	0	260.345	0.928	10	70		CCIERN
CC(C)[C@H](O)CC(=O)N[C@H]1CCCN(c2cccnn2)C1	ZINC000160319773	350699225	/nfs/dbraw/zinc/69/92/25/350699225.db2.gz	RNMWHZFQVQSJTF-QWHCGFSZSA-N	0	0	292.383	0.969	10	70		CCIERN
Cc1nn(C)c(C)c1C(=O)NC[C@@H]1CN(C2CC2)CCO1	ZINC000160432214	350700636	/nfs/dbraw/zinc/70/06/36/350700636.db2.gz	PLKOHFYPUBISNQ-CYBMUJFWSA-N	0	0	292.383	0.630	10	70		CCIERN
COc1ncnc2c1CN(Cc1cnn(C)c1)CC2	ZINC000160433086	350701006	/nfs/dbraw/zinc/70/10/06/350701006.db2.gz	LZPNIISXNSQULP-UHFFFAOYSA-N	0	0	259.313	0.777	10	70		CCIERN
CCC(O)(CC)CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C	ZINC000160225460	389383747	/nfs/dbraw/zinc/38/37/47/389383747.db2.gz	MYSFBNQXMJQNLO-WDEREUQCSA-N	0	0	294.417	0.481	10	70		CCIERN
Cn1cnc2cc(C(=O)N3CCC[C@](C)(O)C3)cnc21	ZINC000161050872	389404191	/nfs/dbraw/zinc/40/41/91/389404191.db2.gz	QIYNLPFDJSEVSB-AWEZNQCLSA-N	0	0	274.324	0.955	10	70		CCIERN
CCCCN(CCO)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000160989652	520512812	/nfs/dbraw/zinc/51/28/12/520512812.db2.gz	GACBYRCMWNENBG-NSHDSACASA-N	0	0	281.360	0.397	10	70		CCIERN
COCCN(CC(C)C)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161328807	523674045	/nfs/dbraw/zinc/67/40/45/523674045.db2.gz	GRCVMQIGVCNAHV-GFCCVEGCSA-N	0	0	295.387	0.907	10	70		CCIERN
O=C(NCC1(O)CCCCC1)N[C@H]1CCc2ncnn2C1	ZINC000161204403	527576251	/nfs/dbraw/zinc/57/62/51/527576251.db2.gz	CYFCTMIGGZEKQF-NSHDSACASA-N	0	0	293.371	0.587	10	70		CCIERN
CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)N(C)C)CC2	ZINC000159370434	350676162	/nfs/dbraw/zinc/67/61/62/350676162.db2.gz	ULHWSZPUYQMFDT-VIFPVBQESA-N	0	0	287.389	0.112	10	70		CCIERN
COCCCOC1CN(C(=O)[C@@H]2CC[C@H](C)O2)C1	ZINC000159374201	350676563	/nfs/dbraw/zinc/67/65/63/350676563.db2.gz	XBYYZCILLTZTEA-JQWIXIFHSA-N	0	0	257.330	0.818	10	70		CCIERN
C[C@H](CNC(=O)N1CCC[C@](C)(O)C1)N1CCOCC1	ZINC000160285646	350697851	/nfs/dbraw/zinc/69/78/51/350697851.db2.gz	SDMOKUGDMVIDJB-OCCSQVGLSA-N	0	0	285.388	0.264	10	70		CCIERN
C[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)N1CCOCC1	ZINC000160285520	389385524	/nfs/dbraw/zinc/38/55/24/389385524.db2.gz	SDMOKUGDMVIDJB-JSGCOSHPSA-N	0	0	285.388	0.264	10	70		CCIERN
Cn1cnc2cc(C(=O)N3CCC[C@@](C)(O)C3)cnc21	ZINC000161050974	389403739	/nfs/dbraw/zinc/40/37/39/389403739.db2.gz	QIYNLPFDJSEVSB-CQSZACIVSA-N	0	0	274.324	0.955	10	70		CCIERN
CC(=O)Nc1cc(S(=O)(=O)Cl)cc(C#N)n1	ZINC000103605662	264248871	/nfs/dbraw/zinc/24/88/71/264248871.db2.gz	CSGBLPCCGHGDPD-UHFFFAOYSA-N	0	0	259.674	0.839	10	70		CCIERN
COC[C@@H](C)C(=O)N1CCS(=O)(=O)C(C)(C)C1	ZINC000159899950	292748823	/nfs/dbraw/zinc/74/88/23/292748823.db2.gz	RUJRWMXUKHSVBU-SECBINFHSA-N	0	0	263.359	0.305	10	70		CCIERN
CC[C@@H](CO)NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000161503120	522565462	/nfs/dbraw/zinc/56/54/62/522565462.db2.gz	HQJNQWYFYAXQGO-QWRGUYRKSA-N	0	0	295.387	0.786	10	70		CCIERN
COC[C@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	ZINC000161118519	536517795	/nfs/dbraw/zinc/51/77/95/536517795.db2.gz	ZSLVRYZAMYCKRH-RYUDHWBXSA-N	0	0	293.371	0.661	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCCSC1	ZINC000159480718	290724577	/nfs/dbraw/zinc/72/45/77/290724577.db2.gz	KDFYPDBPHJEZPX-UWVGGRQHSA-N	0	0	271.386	0.802	10	70		CCIERN
CC(C)[C@@H](O)CC(=O)N[C@@H]1CCN(C(C)C)C1=O	ZINC000160185212	350695880	/nfs/dbraw/zinc/69/58/80/350695880.db2.gz	KAHWBBDOWIPNRC-MNOVXSKESA-N	0	0	256.346	0.519	10	70		CCIERN
CCC[C@@H](O)CNC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161296730	350717678	/nfs/dbraw/zinc/71/76/78/350717678.db2.gz	IJPSXMPCLGWPMO-NXEZZACHSA-N	0	0	267.333	0.053	10	70		CCIERN
CCN(CCO)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000161507266	521092351	/nfs/dbraw/zinc/09/23/51/521092351.db2.gz	LGFPCNPUYBQYNK-LLVKDONJSA-N	0	0	295.387	0.740	10	70		CCIERN
CN(C[C@@H]1CCC[C@H]1O)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161404647	523069412	/nfs/dbraw/zinc/06/94/12/523069412.db2.gz	BOVIHGXKAKPJME-QJPTWQEYSA-N	0	0	293.371	0.395	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](C)C1CCOCC1	ZINC000159960700	290727714	/nfs/dbraw/zinc/72/77/14/290727714.db2.gz	COBRHHFIOFUFIG-CMPLNLGQSA-N	0	0	283.372	0.722	10	70		CCIERN
CC(C)[C@@H](O)CC(=O)N[C@@H]1CCCN(c2cccnn2)C1	ZINC000160319642	350698547	/nfs/dbraw/zinc/69/85/47/350698547.db2.gz	RNMWHZFQVQSJTF-OLZOCXBDSA-N	0	0	292.383	0.969	10	70		CCIERN
Cn1cnc2cc(C(=O)N[C@H]3CCc4n[nH]cc4C3)cnc21	ZINC000160507243	282781932	/nfs/dbraw/zinc/78/19/32/282781932.db2.gz	ZMLNGLPSFFPWNK-NSHDSACASA-N	0	0	296.334	0.979	10	70		CCIERN
C[C@@H](O)c1cc2n(n1)CCN(CCc1nccn1C)C2	ZINC000217149449	351945112	/nfs/dbraw/zinc/94/51/12/351945112.db2.gz	JNLDHOXMTHQZAV-LLVKDONJSA-N	0	0	275.356	0.728	10	70		CCIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCN(C2CC2)CC1	ZINC000161358412	284240080	/nfs/dbraw/zinc/24/00/80/284240080.db2.gz	DAOQTNRBDSTVRZ-NSHDSACASA-N	0	0	290.371	0.083	10	70		CCIERN
COC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	ZINC000161118164	389403834	/nfs/dbraw/zinc/40/38/34/389403834.db2.gz	ZSLVRYZAMYCKRH-VXGBXAGGSA-N	0	0	293.371	0.661	10	70		CCIERN
CCN(C[C@H](C)C(=O)OC)c1nn2c(nccc2=O)s1	ZINC000159592073	279225740	/nfs/dbraw/zinc/22/57/40/279225740.db2.gz	KMTPGFKGCNVDHV-QMMMGPOBSA-N	0	0	296.352	0.786	10	70		CCIERN
CC[C@H]1COCCN1C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161297319	281202170	/nfs/dbraw/zinc/20/21/70/281202170.db2.gz	IZOGUOPMELAOFV-QWRGUYRKSA-N	0	0	279.344	0.413	10	70		CCIERN
CC[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@H](C)O1	ZINC000161123795	523400555	/nfs/dbraw/zinc/40/05/55/523400555.db2.gz	KUPCVDKFQURFCZ-QJPTWQEYSA-N	0	0	293.371	0.802	10	70		CCIERN
COc1ncnc2c1CN(CC(OC)OC)CC2	ZINC000160790122	525084804	/nfs/dbraw/zinc/08/48/04/525084804.db2.gz	FWUJWEABNPQMRT-UHFFFAOYSA-N	0	0	253.302	0.462	10	70		CCIERN
O=C(CCn1ccnn1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000160411239	526679590	/nfs/dbraw/zinc/67/95/90/526679590.db2.gz	XIIYCCFYGIMPSR-GXTWGEPZSA-N	0	0	278.356	0.822	10	70		CCIERN
CC(C)Oc1nccnc1N1CCS(=O)(=O)[C@H](C)C1	ZINC000160740396	350706135	/nfs/dbraw/zinc/70/61/35/350706135.db2.gz	KNMAESXLJQZDMZ-SNVBAGLBSA-N	0	0	285.369	0.887	10	70		CCIERN
C[C@H]1OCC[C@H]1NC(=O)c1cnc2c(c1)ncn2C	ZINC000161032498	350710782	/nfs/dbraw/zinc/71/07/82/350710782.db2.gz	KWZHLLMRKAQQBH-PSASIEDQSA-N	0	0	260.297	0.876	10	70		CCIERN
CN(C)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCCCO1	ZINC000161180422	350714841	/nfs/dbraw/zinc/71/48/41/350714841.db2.gz	ARVZNGLHTNFFJA-GHMZBOCLSA-N	0	0	254.330	0.635	10	70		CCIERN
COCCCS(=O)(=O)NCC(=O)N[C@H](C)C(C)C	ZINC000161072332	248991367	/nfs/dbraw/zinc/99/13/67/248991367.db2.gz	YFPLDYPDQVWFOD-SNVBAGLBSA-N	0	0	280.390	0.103	10	70		CCIERN
Cn1nc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc1=O	ZINC000160459840	527542473	/nfs/dbraw/zinc/54/24/73/527542473.db2.gz	NOAYXCWYSDFDCO-XHDPSFHLSA-N	0	0	291.351	0.548	10	70		CCIERN
COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCc2ccccc21	ZINC000159413186	389366765	/nfs/dbraw/zinc/36/67/65/389366765.db2.gz	DVPZTRVDCCTCFB-XHBSWPGZSA-N	0	0	289.331	0.746	10	70		CCIERN
Cn1cnc2cc(C(=O)N[C@@H]3CCc4n[nH]cc4C3)cnc21	ZINC000160507122	279388885	/nfs/dbraw/zinc/38/88/85/279388885.db2.gz	ZMLNGLPSFFPWNK-LLVKDONJSA-N	0	0	296.334	0.979	10	70		CCIERN
CCCCCN(CCO)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161004041	520168862	/nfs/dbraw/zinc/16/88/62/520168862.db2.gz	GZMALAPZBVEMCE-GFCCVEGCSA-N	0	0	295.387	0.787	10	70		CCIERN
Cc1noc([C@@H]2COCCN2CCCCCO)n1	ZINC000161003764	526657305	/nfs/dbraw/zinc/65/73/05/526657305.db2.gz	LXXZAYGAADUGMP-NSHDSACASA-N	0	0	255.318	0.914	10	70		CCIERN
CCCCCNC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1	ZINC000160197590	136841696	/nfs/dbraw/zinc/84/16/96/136841696.db2.gz	WSKYXQPUZDMZPO-ZJUUUORDSA-N	0	0	257.334	0.461	10	70		CCIERN
Cc1cnn(CCNC(=O)c2nc(C)c(C)[nH]c2=O)c1	ZINC000161145331	350713790	/nfs/dbraw/zinc/71/37/90/350713790.db2.gz	POGNWHYWOQOHOL-UHFFFAOYSA-N	0	0	275.312	0.322	10	70		CCIERN
Cn1cnc2cc(C(=O)NC[C@H]3CCC[C@@H]3O)cnc21	ZINC000159911871	350691289	/nfs/dbraw/zinc/69/12/89/350691289.db2.gz	LTXGTVSAZXRCHU-SKDRFNHKSA-N	0	0	274.324	0.859	10	70		CCIERN
Cc1nn(C)c(C)c1C(=O)NC[C@H]1CN(C2CC2)CCO1	ZINC000160432349	350700586	/nfs/dbraw/zinc/70/05/86/350700586.db2.gz	PLKOHFYPUBISNQ-ZDUSSCGKSA-N	0	0	292.383	0.630	10	70		CCIERN
C[C@]1(O)CCCN(C(=O)NCc2nnc3ccccn32)C1	ZINC000159894129	389376102	/nfs/dbraw/zinc/37/61/02/389376102.db2.gz	UTYRDVYONZSQRF-AWEZNQCLSA-N	0	0	289.339	0.786	10	70		CCIERN
COc1cc(OC)nc(N[C@@H]2CCC(=O)N(C)C2=O)n1	ZINC000159792267	277387768	/nfs/dbraw/zinc/38/77/68/277387768.db2.gz	VHDNYJGANLSJKM-SSDOTTSWSA-N	0	0	280.284	0.053	10	70		CCIERN
O=C(NCCNS(=O)(=O)c1ccc(O)cc1)C1CC1	ZINC000160861068	526338101	/nfs/dbraw/zinc/33/81/01/526338101.db2.gz	ZMSSXULBSWNZIN-UHFFFAOYSA-N	0	0	284.337	0.197	10	70		CCIERN
C[C@@H](CCO)NC(=O)Nc1ccnn1C[C@H]1CCOC1	ZINC000159662757	350683803	/nfs/dbraw/zinc/68/38/03/350683803.db2.gz	WAJHKJAQUHEWHP-WDEREUQCSA-N	0	0	282.344	0.812	10	70		CCIERN
CC(C)[C@@H](O)CC(=O)N[C@H]1CCCN(c2cccnn2)C1	ZINC000160319901	350698935	/nfs/dbraw/zinc/69/89/35/350698935.db2.gz	RNMWHZFQVQSJTF-STQMWFEESA-N	0	0	292.383	0.969	10	70		CCIERN
CCc1cc(=O)[nH]c(CN2CCC[C@@H]2C(=O)N(C)C)n1	ZINC000160605602	389394376	/nfs/dbraw/zinc/39/43/76/389394376.db2.gz	PTRHJHYZEBQRTJ-LLVKDONJSA-N	0	0	278.356	0.797	10	70		CCIERN
COC(=O)c1cc(S(=O)(=O)Cl)cc(C#N)n1	ZINC000103605679	264275933	/nfs/dbraw/zinc/27/59/33/264275933.db2.gz	HUIPWHNRWWXQBB-UHFFFAOYSA-N	0	0	260.658	0.667	10	70		CCIERN
COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@@H]1C)CC2	ZINC000160761630	523228100	/nfs/dbraw/zinc/22/81/00/523228100.db2.gz	UPYIQNBNHVUUSK-AEJSXWLSSA-N	0	0	279.344	0.447	10	70		CCIERN
Cn1cc(CN2CCC[C@@H]2C(N)=O)c(-c2ccncc2)n1	ZINC000160362377	527202438	/nfs/dbraw/zinc/20/24/38/527202438.db2.gz	TWJJBYXLUUBJPC-CYBMUJFWSA-N	0	0	285.351	0.932	10	70		CCIERN
C[C@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)CCS1	ZINC000159750378	290726440	/nfs/dbraw/zinc/72/64/40/290726440.db2.gz	FTUJHKDDXWTWHO-UWVGGRQHSA-N	0	0	292.426	0.711	10	70		CCIERN
O=C1NCCCC[C@@H]1SCCN1CCOCC1	ZINC000159960653	350693102	/nfs/dbraw/zinc/69/31/02/350693102.db2.gz	MWZZUKXQYQZVGT-NSHDSACASA-N	0	0	258.387	0.721	10	70		CCIERN
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]1COCCN1	ZINC000160861366	389401213	/nfs/dbraw/zinc/40/12/13/389401213.db2.gz	RJJKDVBQJMLQSG-GJZGRUSLSA-N	0	0	292.379	0.865	10	70		CCIERN
C[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@@H](C)O1	ZINC000161289582	287933051	/nfs/dbraw/zinc/93/30/51/287933051.db2.gz	XPOOEWAIJNSPNE-GMTAPVOTSA-N	0	0	279.344	0.412	10	70		CCIERN
CC[C@H](C)[C@H](O)CNC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161239233	521990808	/nfs/dbraw/zinc/99/08/08/521990808.db2.gz	XMMKQXVPPNDNFF-HBNTYKKESA-N	0	0	281.360	0.299	10	70		CCIERN
Cn1cnc2cc(C(=O)N[C@@H]3CCc4ncnn4C3)cnc21	ZINC000160488334	527499583	/nfs/dbraw/zinc/49/95/83/527499583.db2.gz	TZKOPHQQCNEOKX-SNVBAGLBSA-N	0	0	297.322	0.305	10	70		CCIERN
CC(C)[C@@H](CO)NC(=O)c1cnc2c(c1)ncn2C	ZINC000161055455	350711395	/nfs/dbraw/zinc/71/13/95/350711395.db2.gz	DFMLRXGJOJGDIY-LLVKDONJSA-N	0	0	262.313	0.715	10	70		CCIERN
Cn1cnc2cc(C(=O)N[C@H]3CCCCNC3=O)cnc21	ZINC000160101424	188455604	/nfs/dbraw/zinc/45/56/04/188455604.db2.gz	CEDWIPTZEAPEBT-JTQLQIEISA-N	0	0	287.323	0.367	10	70		CCIERN
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1	ZINC000159658877	296037495	/nfs/dbraw/zinc/03/74/95/296037495.db2.gz	SZRQASFQTDJVML-GRYCIOLGSA-N	0	0	297.399	0.079	10	70		CCIERN
Cc1cnn(C[C@H]2CN(C(=O)C[C@@H](O)C(C)C)CCO2)c1	ZINC000159773381	389373176	/nfs/dbraw/zinc/37/31/76/389373176.db2.gz	PQDVYVQMZPXDGI-ZIAGYGMSSA-N	0	0	295.383	0.826	10	70		CCIERN
Cn1cnc2cc(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)cnc21	ZINC000160709756	389397625	/nfs/dbraw/zinc/39/76/25/389397625.db2.gz	HURGFMJATOTKDL-JTQLQIEISA-N	0	0	299.334	0.461	10	70		CCIERN
Cc1noc([C@H]2COCCN2C[C@H](O)C(F)(F)F)n1	ZINC000160895583	389401762	/nfs/dbraw/zinc/40/17/62/389401762.db2.gz	BXMQPFKMDWQAAB-SFYZADRCSA-N	0	0	281.234	0.675	10	70		CCIERN
C[C@@H]1CN(c2noc(C(C)(C)C)n2)CCS1(=O)=O	ZINC000160735967	288288814	/nfs/dbraw/zinc/28/88/14/288288814.db2.gz	ITFMIVSUWNQJFS-MRVPVSSYSA-N	0	0	273.358	0.990	10	70		CCIERN
CC[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@@H](C)O1	ZINC000161124040	523401138	/nfs/dbraw/zinc/40/11/38/523401138.db2.gz	KUPCVDKFQURFCZ-IJLUTSLNSA-N	0	0	293.371	0.802	10	70		CCIERN
CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)N(C)C)CC2	ZINC000159370281	350676183	/nfs/dbraw/zinc/67/61/83/350676183.db2.gz	ULHWSZPUYQMFDT-SECBINFHSA-N	0	0	287.389	0.112	10	70		CCIERN
CC(C)[C@H](O)CC(=O)N[C@H]1CCN(C(C)C)C1=O	ZINC000160185341	350696862	/nfs/dbraw/zinc/69/68/62/350696862.db2.gz	KAHWBBDOWIPNRC-WDEREUQCSA-N	0	0	256.346	0.519	10	70		CCIERN
C[C@H](C(=O)N(C)C)N1CCO[C@@](C)(c2cnn(C)c2)C1	ZINC000159471814	389367333	/nfs/dbraw/zinc/36/73/33/389367333.db2.gz	VGDJFZCIJGTSOE-BXUZGUMPSA-N	0	0	280.372	0.444	10	70		CCIERN
Cn1cnc2cc(C(=O)NC[C@@H](O)C3CC3)cnc21	ZINC000160808461	389400075	/nfs/dbraw/zinc/40/00/75/389400075.db2.gz	CVDMLKKWFQZZOV-LLVKDONJSA-N	0	0	260.297	0.469	10	70		CCIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCSCC1	ZINC000161337992	389405319	/nfs/dbraw/zinc/40/53/19/389405319.db2.gz	YDAHQBBLKXDYKI-VIFPVBQESA-N	0	0	267.358	0.351	10	70		CCIERN
CN(CCC1CCOCC1)C(=O)[C@H]1COCCN1	ZINC000160351641	397418237	/nfs/dbraw/zinc/41/82/37/397418237.db2.gz	CHGOGTDIKUHMFB-GFCCVEGCSA-N	0	0	256.346	0.250	10	70		CCIERN
O=C(C1=NNC(=O)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160449841	295430864	/nfs/dbraw/zinc/43/08/64/295430864.db2.gz	IYLVESNPNWCCEL-QMTHXVAHSA-N	0	0	279.340	0.406	10	70		CCIERN
CCC(O)(CC)CNC(=O)N[C@H]1CCc2ncnn2C1	ZINC000161312823	521654071	/nfs/dbraw/zinc/65/40/71/521654071.db2.gz	STPZEELBKBXKMW-JTQLQIEISA-N	0	0	281.360	0.443	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCCSC1	ZINC000159480475	350680030	/nfs/dbraw/zinc/68/00/30/350680030.db2.gz	KDFYPDBPHJEZPX-ZJUUUORDSA-N	0	0	271.386	0.802	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)C1CCOCC1	ZINC000159960948	350693042	/nfs/dbraw/zinc/69/30/42/350693042.db2.gz	COBRHHFIOFUFIG-JQWIXIFHSA-N	0	0	283.372	0.722	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCc2n[nH]cc2C1	ZINC000160003308	350693212	/nfs/dbraw/zinc/69/32/12/350693212.db2.gz	OTOHWXSRTBUWRL-PWSUYJOCSA-N	0	0	291.355	0.187	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H]1CCCS1	ZINC000159754484	350687226	/nfs/dbraw/zinc/68/72/26/350687226.db2.gz	ATGBYHDZUCWAQZ-UWVGGRQHSA-N	0	0	271.386	0.802	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCc2n[nH]cc2C1	ZINC000160003696	350693428	/nfs/dbraw/zinc/69/34/28/350693428.db2.gz	OTOHWXSRTBUWRL-CMPLNLGQSA-N	0	0	291.355	0.187	10	70		CCIERN
CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](CC)COC)CC2	ZINC000160060760	350693970	/nfs/dbraw/zinc/69/39/70/350693970.db2.gz	DMZDWPAFKKMJCC-WDEREUQCSA-N	0	0	295.387	0.880	10	70		CCIERN
CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1	ZINC000160770167	520874084	/nfs/dbraw/zinc/87/40/84/520874084.db2.gz	ZXIPUHOMQMOZAB-VHSXEESVSA-N	0	0	296.323	0.856	10	70		CCIERN
Cc1noc([C@H]2COCCN2C[C@H](O)COCC(C)C)n1	ZINC000160771621	526673287	/nfs/dbraw/zinc/67/32/87/526673287.db2.gz	OLFIQTDHOSCRQR-QWHCGFSZSA-N	0	0	299.371	0.785	10	70		CCIERN
CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)C(C)(C)C	ZINC000159670408	526677990	/nfs/dbraw/zinc/67/79/90/526677990.db2.gz	GEVHOVKUHWKSBZ-ZJUUUORDSA-N	0	0	274.386	0.431	10	70		CCIERN
NC(=O)[C@@H]1COCCN1Cc1nc2ccccc2[nH]1	ZINC000161375762	526982036	/nfs/dbraw/zinc/98/20/36/526982036.db2.gz	TUTWKOIXVMOCGK-NSHDSACASA-N	0	0	260.297	0.249	10	70		CCIERN
CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N1CCOCC1	ZINC000160211047	136841828	/nfs/dbraw/zinc/84/18/28/136841828.db2.gz	QSOCQSVKZLFTNJ-CYBMUJFWSA-N	0	0	299.415	0.376	10	70		CCIERN
C[C@@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)C[C@@H]1O	ZINC000161090542	350712044	/nfs/dbraw/zinc/71/20/44/350712044.db2.gz	NKDRZSYGMZPOMO-SKDRFNHKSA-N	0	0	274.324	0.811	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)C1CCOCC1	ZINC000159961082	350693203	/nfs/dbraw/zinc/69/32/03/350693203.db2.gz	COBRHHFIOFUFIG-PWSUYJOCSA-N	0	0	283.372	0.722	10	70		CCIERN
COC(=O)[C@H]1CN(C(=O)NCC(C)C)C[C@@H](C)O1	ZINC000160204067	350697033	/nfs/dbraw/zinc/69/70/33/350697033.db2.gz	GPBDAODXNSHAQW-NXEZZACHSA-N	0	0	258.318	0.614	10	70		CCIERN
Cc1cnn(C[C@@H]2CN(C(=O)C[C@@H](O)C(C)C)CCO2)c1	ZINC000159773239	389372405	/nfs/dbraw/zinc/37/24/05/389372405.db2.gz	PQDVYVQMZPXDGI-UONOGXRCSA-N	0	0	295.383	0.826	10	70		CCIERN
COc1ccc(NC(=O)[C@H]2COCCN2)cc1N	ZINC000161024627	350709954	/nfs/dbraw/zinc/70/99/54/350709954.db2.gz	YFJBVKAOZPWACD-SNVBAGLBSA-N	0	0	251.286	0.204	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCc2n[nH]cc2C1	ZINC000160003565	350693062	/nfs/dbraw/zinc/69/30/62/350693062.db2.gz	OTOHWXSRTBUWRL-JQWIXIFHSA-N	0	0	291.355	0.187	10	70		CCIERN
O=C(Cn1cccnc1=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000160478325	527390089	/nfs/dbraw/zinc/39/00/89/527390089.db2.gz	KNIHQZKTWYRCSW-WFASDCNBSA-N	0	0	291.351	0.397	10	70		CCIERN
COC[C@@H]([NH3+])C(=O)NCCc1ccc(OC(F)F)cc1	ZINC000159421887	350677848	/nfs/dbraw/zinc/67/78/48/350677848.db2.gz	OQFGSDODLZKTFV-LLVKDONJSA-N	0	0	288.294	0.920	10	70		CCIERN
CCN(CCC(=O)OC)c1nn2c(nccc2=O)s1	ZINC000159585921	350683214	/nfs/dbraw/zinc/68/32/14/350683214.db2.gz	NBAZCAMDAOSZBX-UHFFFAOYSA-N	0	0	282.325	0.540	10	70		CCIERN
O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(F)nc1	ZINC000161381055	350719684	/nfs/dbraw/zinc/71/96/84/350719684.db2.gz	DSGYVBCWILGMIF-MWLCHTKSSA-N	0	0	295.314	0.827	10	70		CCIERN
CSC[C@](C)(O)CNC(=O)N[C@H]1CCc2ncnn2C1	ZINC000161140079	188510303	/nfs/dbraw/zinc/51/03/03/188510303.db2.gz	QWFOLDKCSDUJOS-JOYOIKCWSA-N	0	0	299.400	0.006	10	70		CCIERN
C[C@@H](C(=O)NCC(=O)N1CCCC1)C1CCOCC1	ZINC000161306811	248992558	/nfs/dbraw/zinc/99/25/58/248992558.db2.gz	GCGONMOLELJUSG-LLVKDONJSA-N	0	0	268.357	0.788	10	70		CCIERN
CC(C)(C)[C@H](O)CNC(=O)c1sccc1-n1cnnn1	ZINC000159675142	389372008	/nfs/dbraw/zinc/37/20/08/389372008.db2.gz	JASHFZWLSTUJPQ-SECBINFHSA-N	0	0	295.368	0.861	10	70		CCIERN
C[C@@H](CCO)NC(=O)N[C@@H](C)C(=O)N1CCCCC1	ZINC000160363146	389387655	/nfs/dbraw/zinc/38/76/55/389387655.db2.gz	OFOONKJDRHOJSD-QWRGUYRKSA-N	0	0	271.361	0.458	10	70		CCIERN
O=C(CCn1ccnn1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160410947	389389368	/nfs/dbraw/zinc/38/93/68/389389368.db2.gz	XIIYCCFYGIMPSR-TZMCWYRMSA-N	0	0	278.356	0.822	10	70		CCIERN
CCCNS(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21	ZINC000216853193	397433486	/nfs/dbraw/zinc/43/34/86/397433486.db2.gz	MPJBJGCRELJROC-GHMZBOCLSA-N	0	0	262.375	0.874	10	70		CCIERN
CO[C@]1(CNS(=O)(=O)c2ccc(O)cc2)CCOC1	ZINC000160830650	521773727	/nfs/dbraw/zinc/77/37/27/521773727.db2.gz	SCMKPCHAXUUUAX-LBPRGKRZSA-N	0	0	287.337	0.476	10	70		CCIERN
CN(C[C@H]1CCCCO1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161029602	523107388	/nfs/dbraw/zinc/10/73/88/523107388.db2.gz	IAHQFZXXAFDCLE-VXGBXAGGSA-N	0	0	293.371	0.803	10	70		CCIERN
CC(C)(C)CCCNC(=O)C1CC2(C1)NC(=O)NC2=O	ZINC000159386569	350676172	/nfs/dbraw/zinc/67/61/72/350676172.db2.gz	ZLERNNAIFMPXHJ-UHFFFAOYSA-N	0	0	281.356	0.917	10	70		CCIERN
COCCCOC1CN(C(=O)[C@H]2CC[C@@H](C)O2)C1	ZINC000159373805	350676377	/nfs/dbraw/zinc/67/63/77/350676377.db2.gz	XBYYZCILLTZTEA-ZYHUDNBSSA-N	0	0	257.330	0.818	10	70		CCIERN
CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](CC)COC)CC2	ZINC000160061153	350694213	/nfs/dbraw/zinc/69/42/13/350694213.db2.gz	DMZDWPAFKKMJCC-MNOVXSKESA-N	0	0	295.387	0.880	10	70		CCIERN
C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NC1(C)CCOCC1	ZINC000160982001	297158791	/nfs/dbraw/zinc/15/87/91/297158791.db2.gz	LXJFYMOHHRMLTB-MNOVXSKESA-N	0	0	292.401	0.499	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)NC[C@]1(C)CCCO1	ZINC000159699612	544694596	/nfs/dbraw/zinc/69/45/96/544694596.db2.gz	RQGBCWRWLLBMHW-MFKMUULPSA-N	0	0	269.345	0.476	10	70		CCIERN
COC(=O)c1cc(C#N)nc(S(=O)(=O)Cl)c1	ZINC000103604987	264275727	/nfs/dbraw/zinc/27/57/27/264275727.db2.gz	SJDJHPADIRZSMK-UHFFFAOYSA-N	0	0	260.658	0.667	10	70		CCIERN
COCCN(CCO)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1	ZINC000160613651	523701829	/nfs/dbraw/zinc/70/18/29/523701829.db2.gz	CYDPFHCFZTYJPE-GFCCVEGCSA-N	0	0	298.383	0.245	10	70		CCIERN
C[C@H](NC(=O)c1ccnnc1)c1nnc2n1CCCC2	ZINC000161232676	525251835	/nfs/dbraw/zinc/25/18/35/525251835.db2.gz	YFOOANJMEOHBHQ-VIFPVBQESA-N	0	0	272.312	0.895	10	70		CCIERN
Cn1nc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc1=O	ZINC000160459970	527541624	/nfs/dbraw/zinc/54/16/24/527541624.db2.gz	NOAYXCWYSDFDCO-NHYWBVRUSA-N	0	0	291.351	0.548	10	70		CCIERN
CC[C@@H](COC)NC(=O)N[C@H]1CCc2ncnn2C1	ZINC000161060354	350711113	/nfs/dbraw/zinc/71/11/13/350711113.db2.gz	YNMFYNNOMSNUNY-UWVGGRQHSA-N	0	0	267.333	0.317	10	70		CCIERN
C[C@H](O)c1cc2n(n1)CCN(CCc1nccn1C)C2	ZINC000217149457	351944878	/nfs/dbraw/zinc/94/48/78/351944878.db2.gz	JNLDHOXMTHQZAV-NSHDSACASA-N	0	0	275.356	0.728	10	70		CCIERN
O=C(NCCCO)N[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217287022	351945945	/nfs/dbraw/zinc/94/59/45/351945945.db2.gz	KRERFRRFYVGMIX-ZDUSSCGKSA-N	0	0	291.351	0.469	10	70		CCIERN
CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](O)C(C)(C)C	ZINC000159670651	389370654	/nfs/dbraw/zinc/37/06/54/389370654.db2.gz	GEVHOVKUHWKSBZ-NXEZZACHSA-N	0	0	274.386	0.431	10	70		CCIERN
Cc1cnn(C[C@@H]2CN(C(=O)C[C@H](O)C(C)C)CCO2)c1	ZINC000159772991	389372649	/nfs/dbraw/zinc/37/26/49/389372649.db2.gz	PQDVYVQMZPXDGI-KBPBESRZSA-N	0	0	295.383	0.826	10	70		CCIERN
CC[C@@H]1COCCN1C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161297062	389405480	/nfs/dbraw/zinc/40/54/80/389405480.db2.gz	IZOGUOPMELAOFV-GHMZBOCLSA-N	0	0	279.344	0.413	10	70		CCIERN
CC[C@H]1COCCN1C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161297146	281201448	/nfs/dbraw/zinc/20/14/48/281201448.db2.gz	IZOGUOPMELAOFV-MNOVXSKESA-N	0	0	279.344	0.413	10	70		CCIERN
O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CC(O)C1	ZINC000161455077	527145362	/nfs/dbraw/zinc/14/53/62/527145362.db2.gz	LLJKOBOAWUCLTJ-NSHDSACASA-N	0	0	278.333	0.693	10	70		CCIERN
CCc1cc(=O)[nH]c(CN2CCC[C@@H](NC(C)=O)C2)n1	ZINC000160887526	350707999	/nfs/dbraw/zinc/70/79/99/350707999.db2.gz	ZQNWSLLCPDICDQ-GFCCVEGCSA-N	0	0	278.356	0.845	10	70		CCIERN
CC[C@H](COC)NC(=O)N[C@H]1CCc2ncnn2C1	ZINC000161060483	188505409	/nfs/dbraw/zinc/50/54/09/188505409.db2.gz	YNMFYNNOMSNUNY-ZJUUUORDSA-N	0	0	267.333	0.317	10	70		CCIERN
C[C@H]1CC[C@@H](C(=O)NCCNC(=O)c2ccc(O)cc2)O1	ZINC000159635158	389370321	/nfs/dbraw/zinc/37/03/21/389370321.db2.gz	QTDQJBBBBRWVLT-GWCFXTLKSA-N	0	0	292.335	0.806	10	70		CCIERN
CCN(CCCO)C(=O)[C@@H](C)NC(=O)c1ccco1	ZINC000160540125	389392506	/nfs/dbraw/zinc/39/25/06/389392506.db2.gz	QABDYOPIUJETAL-SNVBAGLBSA-N	0	0	268.313	0.629	10	70		CCIERN
COCCCS(=O)(=O)NCC(=O)N[C@@H](C)C(C)C	ZINC000161072447	389404022	/nfs/dbraw/zinc/40/40/22/389404022.db2.gz	YFPLDYPDQVWFOD-JTQLQIEISA-N	0	0	280.390	0.103	10	70		CCIERN
CCNC(=O)C(C)(C)CNC(=O)N1CCC[C@H]1C(=O)NC	ZINC000160139788	544696444	/nfs/dbraw/zinc/69/64/44/544696444.db2.gz	XWYMNVFUWHGRJI-JTQLQIEISA-N	0	0	298.387	0.069	10	70		CCIERN
Cc1noc([C@H]2COCCN2CCn2cccn2)n1	ZINC000160795109	293981129	/nfs/dbraw/zinc/98/11/29/293981129.db2.gz	VDDDDWQNNRAZGA-LLVKDONJSA-N	0	0	263.301	0.648	10	70		CCIERN
CCn1cnnc1[C@H]1CCCN(CC(=O)OC)C1	ZINC000161423480	523604378	/nfs/dbraw/zinc/60/43/78/523604378.db2.gz	YYFFUMHJHXJMNF-JTQLQIEISA-N	0	0	252.318	0.650	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCCSC1	ZINC000159480851	350679338	/nfs/dbraw/zinc/67/93/38/350679338.db2.gz	KDFYPDBPHJEZPX-VHSXEESVSA-N	0	0	271.386	0.802	10	70		CCIERN
CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](CC)COC)CC2	ZINC000160060896	350693975	/nfs/dbraw/zinc/69/39/75/350693975.db2.gz	DMZDWPAFKKMJCC-QWRGUYRKSA-N	0	0	295.387	0.880	10	70		CCIERN
CCCN(CCO)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161341319	188522445	/nfs/dbraw/zinc/52/24/45/188522445.db2.gz	SLISNVVAANRZNZ-JTQLQIEISA-N	0	0	267.333	0.007	10	70		CCIERN
COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1C[C@@H]1C)CC2	ZINC000160761879	389399063	/nfs/dbraw/zinc/39/90/63/389399063.db2.gz	UPYIQNBNHVUUSK-IVZWLZJFSA-N	0	0	279.344	0.447	10	70		CCIERN
Cn1nc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc1=O	ZINC000160459591	294506446	/nfs/dbraw/zinc/50/64/46/294506446.db2.gz	NOAYXCWYSDFDCO-IAQYHMDHSA-N	0	0	291.351	0.548	10	70		CCIERN
CCN(CCO)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000161507370	521092660	/nfs/dbraw/zinc/09/26/60/521092660.db2.gz	LGFPCNPUYBQYNK-NSHDSACASA-N	0	0	295.387	0.740	10	70		CCIERN
O=C(Cn1cccnc1=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000160478215	527389493	/nfs/dbraw/zinc/38/94/93/527389493.db2.gz	KNIHQZKTWYRCSW-SWLSCSKDSA-N	0	0	291.351	0.397	10	70		CCIERN
CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2CC[C@@H](C)O2)C1=O	ZINC000159633881	528974265	/nfs/dbraw/zinc/97/42/65/528974265.db2.gz	RPUVRQGQDFKTLD-BBBLOLIVSA-N	0	0	268.313	0.206	10	70		CCIERN
C[C@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)C[C@@H]1O	ZINC000161090659	248992107	/nfs/dbraw/zinc/99/21/07/248992107.db2.gz	NKDRZSYGMZPOMO-CABZTGNLSA-N	0	0	274.324	0.811	10	70		CCIERN
C[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2ccc(O)cc2)O1	ZINC000159634738	389370280	/nfs/dbraw/zinc/37/02/80/389370280.db2.gz	QTDQJBBBBRWVLT-ZWNOBZJWSA-N	0	0	292.335	0.806	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H](C)SC	ZINC000160223447	389382974	/nfs/dbraw/zinc/38/29/74/389382974.db2.gz	HYELASKAICKYBW-RKDXNWHRSA-N	0	0	259.375	0.658	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)NC[C@H](C)SC	ZINC000160223342	389383234	/nfs/dbraw/zinc/38/32/34/389383234.db2.gz	HYELASKAICKYBW-DTWKUNHWSA-N	0	0	259.375	0.658	10	70		CCIERN
CC[C@](C)(O)CN1CCO[C@H](c2nnc(C)[nH]2)C1	ZINC000161296944	523494441	/nfs/dbraw/zinc/49/44/41/523494441.db2.gz	KFTIUWWBNWMZFO-JQWIXIFHSA-N	0	0	254.334	0.647	10	70		CCIERN
Cn1cc(CN2CCC[C@H]2C(N)=O)c(-c2ccncc2)n1	ZINC000160362515	527203061	/nfs/dbraw/zinc/20/30/61/527203061.db2.gz	TWJJBYXLUUBJPC-ZDUSSCGKSA-N	0	0	285.351	0.932	10	70		CCIERN
C[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)N1CCOCC1	ZINC000160285383	389385633	/nfs/dbraw/zinc/38/56/33/389385633.db2.gz	SDMOKUGDMVIDJB-TZMCWYRMSA-N	0	0	285.388	0.264	10	70		CCIERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC(C)(C)O)CC2	ZINC000161435318	519871999	/nfs/dbraw/zinc/87/19/99/519871999.db2.gz	ITWRWDISKMMLMJ-SNVBAGLBSA-N	0	0	295.387	0.786	10	70		CCIERN
CCOc1cncc(N2CCS(=O)(=O)[C@H](C)C2)n1	ZINC000160726080	350705255	/nfs/dbraw/zinc/70/52/55/350705255.db2.gz	OYKTUUQNNOKJRI-SECBINFHSA-N	0	0	271.342	0.499	10	70		CCIERN
CCS(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000159374696	350676176	/nfs/dbraw/zinc/67/61/76/350676176.db2.gz	SOBUMULQEVDPBD-VIFPVBQESA-N	0	0	272.374	0.656	10	70		CCIERN
O=C([C@@H]1COCCN1)N1CCS[C@H]2CCCC[C@@H]21	ZINC000161427243	350720429	/nfs/dbraw/zinc/72/04/29/350720429.db2.gz	JIAIRDBSSWHUBU-SRVKXCTJSA-N	0	0	270.398	0.861	10	70		CCIERN
CNC(=O)C(C)(C)CNC1=NS(=O)(=O)c2ccccc21	ZINC000161105070	188508560	/nfs/dbraw/zinc/50/85/60/188508560.db2.gz	BPBQOHRXLXQQIR-UHFFFAOYSA-N	0	0	295.364	0.497	10	70		CCIERN
COc1ccc(N(C)C(=O)[C@@H]2CNC(=O)C2)cc1F	ZINC000159841215	389375443	/nfs/dbraw/zinc/37/54/43/389375443.db2.gz	AXQKQRNYEXLZJV-QMMMGPOBSA-N	0	0	266.272	0.933	10	70		CCIERN
C[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CCS1	ZINC000161195115	389403774	/nfs/dbraw/zinc/40/37/74/389403774.db2.gz	YLQHQLCPQSSYQH-NXEZZACHSA-N	0	0	281.385	0.740	10	70		CCIERN
COCCC1(C(=O)NC[C@@H]2CN(C)CCO2)CC1	ZINC000161118297	523010542	/nfs/dbraw/zinc/01/05/42/523010542.db2.gz	DLVMJKHZNSSDIP-LLVKDONJSA-N	0	0	256.346	0.250	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H]1CCCS1	ZINC000159754602	290726435	/nfs/dbraw/zinc/72/64/35/290726435.db2.gz	ATGBYHDZUCWAQZ-VHSXEESVSA-N	0	0	271.386	0.802	10	70		CCIERN
Cn1cnc2cc(C(=O)NC[C@@H]3CCC[C@H]3O)cnc21	ZINC000159911998	136841338	/nfs/dbraw/zinc/84/13/38/136841338.db2.gz	LTXGTVSAZXRCHU-JOYOIKCWSA-N	0	0	274.324	0.859	10	70		CCIERN
O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(F)nc1	ZINC000161380683	350719157	/nfs/dbraw/zinc/71/91/57/350719157.db2.gz	DSGYVBCWILGMIF-ONGXEEELSA-N	0	0	295.314	0.827	10	70		CCIERN
Cn1cnc2cc(C(=O)N[C@@H]3CCCCNC3=O)cnc21	ZINC000160101282	389380009	/nfs/dbraw/zinc/38/00/09/389380009.db2.gz	CEDWIPTZEAPEBT-SNVBAGLBSA-N	0	0	287.323	0.367	10	70		CCIERN
CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161239446	521873143	/nfs/dbraw/zinc/87/31/43/521873143.db2.gz	XMMKQXVPPNDNFF-AXFHLTTASA-N	0	0	281.360	0.299	10	70		CCIERN
CN1CCC[C@@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1	ZINC000159982506	350693337	/nfs/dbraw/zinc/69/33/37/350693337.db2.gz	ULZLMHXCLBGRSF-SNVBAGLBSA-N	0	0	274.386	0.116	10	70		CCIERN
O=C(N[C@@H]1CCc2ncnn2C1)N[C@@H]1CCCC[C@@H]1O	ZINC000161251701	350717009	/nfs/dbraw/zinc/71/70/09/350717009.db2.gz	MNPXZCJAQRQITN-MXWKQRLJSA-N	0	0	279.344	0.196	10	70		CCIERN
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC1	ZINC000217760063	389135073	/nfs/dbraw/zinc/13/50/73/389135073.db2.gz	KPVAUGYRPAMACH-NXEZZACHSA-N	0	0	270.329	0.589	10	70		CCIERN
CC[C@](C)(O)CNC(=O)c1cnc2c(c1)ncn2C	ZINC000160663122	389395874	/nfs/dbraw/zinc/39/58/74/389395874.db2.gz	DHEHVEKWRFRPJD-ZDUSSCGKSA-N	0	0	262.313	0.859	10	70		CCIERN
O=C(NCC1(O)CCCC1)N[C@H]1CCc2ncnn2C1	ZINC000161247726	389405549	/nfs/dbraw/zinc/40/55/49/389405549.db2.gz	PHPYUXUOPKJLCI-JTQLQIEISA-N	0	0	279.344	0.197	10	70		CCIERN
COC[C@H](C)C(=O)N1CCS(=O)(=O)C(C)(C)C1	ZINC000159899819	292987159	/nfs/dbraw/zinc/98/71/59/292987159.db2.gz	RUJRWMXUKHSVBU-VIFPVBQESA-N	0	0	263.359	0.305	10	70		CCIERN
COCCC1(C(=O)NC[C@H]2CN(C)CCO2)CC1	ZINC000161118440	523011879	/nfs/dbraw/zinc/01/18/79/523011879.db2.gz	DLVMJKHZNSSDIP-NSHDSACASA-N	0	0	256.346	0.250	10	70		CCIERN
Cc1nsc(N2CCN(C(=O)C[C@@H](O)C(C)C)CC2)n1	ZINC000160961283	350709122	/nfs/dbraw/zinc/70/91/22/350709122.db2.gz	XZFTXBTZXVQDOZ-LLVKDONJSA-N	0	0	298.412	0.902	10	70		CCIERN
CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCCO1	ZINC000161180167	350714980	/nfs/dbraw/zinc/71/49/80/350714980.db2.gz	ARVZNGLHTNFFJA-MNOVXSKESA-N	0	0	254.330	0.635	10	70		CCIERN
CC(C)(C)[C@H](O)CNC(=O)CSc1nnnn1C1CC1	ZINC000159655301	350684256	/nfs/dbraw/zinc/68/42/56/350684256.db2.gz	HCEVYRQFPVWAHP-SECBINFHSA-N	0	0	299.400	0.623	10	70		CCIERN
CC(C)Cn1ccnc(NCCNC(=O)C2CC2)c1=O	ZINC000159869700	350691285	/nfs/dbraw/zinc/69/12/85/350691285.db2.gz	GTWCZUHTSAGRDF-UHFFFAOYSA-N	0	0	278.356	0.837	10	70		CCIERN
COCCCN(C)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161082659	188507331	/nfs/dbraw/zinc/50/73/31/188507331.db2.gz	DYTGDKDZBLIXOE-SNVBAGLBSA-N	0	0	267.333	0.271	10	70		CCIERN
C[C@@H]1CC[C@@H](C(=O)NCCNC(=O)c2ccc(O)cc2)O1	ZINC000159635011	389370594	/nfs/dbraw/zinc/37/05/94/389370594.db2.gz	QTDQJBBBBRWVLT-MFKMUULPSA-N	0	0	292.335	0.806	10	70		CCIERN
CC[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CCO1	ZINC000161174030	389404179	/nfs/dbraw/zinc/40/41/79/389404179.db2.gz	XQYQKGKKRVRLHK-GHMZBOCLSA-N	0	0	279.344	0.413	10	70		CCIERN
O=C(C1=NNC(=O)CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160449715	526280934	/nfs/dbraw/zinc/28/09/34/526280934.db2.gz	IYLVESNPNWCCEL-YGRLFVJLSA-N	0	0	279.340	0.406	10	70		CCIERN
COc1ccc(NC(=O)[C@@H]2COCCN2)cc1N	ZINC000161024510	350709825	/nfs/dbraw/zinc/70/98/25/350709825.db2.gz	YFJBVKAOZPWACD-JTQLQIEISA-N	0	0	251.286	0.204	10	70		CCIERN
COCCCN(C)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161082788	350712162	/nfs/dbraw/zinc/71/21/62/350712162.db2.gz	DYTGDKDZBLIXOE-JTQLQIEISA-N	0	0	267.333	0.271	10	70		CCIERN
CC[C@H](C(=O)N1CCC[C@@H](C(=O)OC)C1)[NH+](C)C	ZINC000161371281	350719226	/nfs/dbraw/zinc/71/92/26/350719226.db2.gz	MZDDPWOGVXJVJD-GHMZBOCLSA-N	0	0	256.346	0.738	10	70		CCIERN
CCn1cc(S(=O)(=O)N[C@@H]2C[C@@H]3OCC[C@H]23)cn1	ZINC000217052706	351944946	/nfs/dbraw/zinc/94/49/46/351944946.db2.gz	UVLWMVQCXDOGDB-MXWKQRLJSA-N	0	0	271.342	0.359	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H](C)SC	ZINC000160223667	389383559	/nfs/dbraw/zinc/38/35/59/389383559.db2.gz	HYELASKAICKYBW-BDAKNGLRSA-N	0	0	259.375	0.658	10	70		CCIERN
Cn1cnc2cc(C(=O)N[C@@H]3CCCn4ncnc43)cnc21	ZINC000160747858	389398974	/nfs/dbraw/zinc/39/89/74/389398974.db2.gz	BQMPSYOZIOPNBN-SNVBAGLBSA-N	0	0	297.322	0.825	10	70		CCIERN
CCNC(=O)C(C)(C)CNC(=O)N1CCC[C@@H]1C(=O)NC	ZINC000160139664	544695861	/nfs/dbraw/zinc/69/58/61/544695861.db2.gz	XWYMNVFUWHGRJI-SNVBAGLBSA-N	0	0	298.387	0.069	10	70		CCIERN
CCN(C)C(=O)CCN1CCOC[C@H]1c1nc(C)no1	ZINC000161155742	520143160	/nfs/dbraw/zinc/14/31/60/520143160.db2.gz	UYIOLSBKBCQPAK-NSHDSACASA-N	0	0	282.344	0.620	10	70		CCIERN
C[C@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CCS1	ZINC000161195489	350715181	/nfs/dbraw/zinc/71/51/81/350715181.db2.gz	YLQHQLCPQSSYQH-UWVGGRQHSA-N	0	0	281.385	0.740	10	70		CCIERN
Cn1cnc2cc(C(=O)N[C@@H]3C=C[C@H](CO)C3)cnc21	ZINC000160856918	389401158	/nfs/dbraw/zinc/40/11/58/389401158.db2.gz	UKEOJSJIUNGYLW-GXSJLCMTSA-N	0	0	272.308	0.635	10	70		CCIERN
O=C([C@@H]1COCCN1)N1CCS[C@H]2CCCC[C@H]21	ZINC000161427061	304371063	/nfs/dbraw/zinc/37/10/63/304371063.db2.gz	JIAIRDBSSWHUBU-TUAOUCFPSA-N	0	0	270.398	0.861	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)NC[C@]1(C)CCCO1	ZINC000159699798	544694844	/nfs/dbraw/zinc/69/48/44/544694844.db2.gz	RQGBCWRWLLBMHW-GWCFXTLKSA-N	0	0	269.345	0.476	10	70		CCIERN
CC(=O)Nc1cc(C#N)nc(S(=O)(=O)Cl)c1	ZINC000103604974	264248795	/nfs/dbraw/zinc/24/87/95/264248795.db2.gz	FSQYGYQWGKLEHX-UHFFFAOYSA-N	0	0	259.674	0.839	10	70		CCIERN
COCc1cc(N2CCOC[C@@H]2C2CC2)n2ncnc2n1	ZINC000159682784	293299840	/nfs/dbraw/zinc/29/98/40/293299840.db2.gz	YVRRUYJJHIULFP-GFCCVEGCSA-N	0	0	289.339	0.886	10	70		CCIERN
Cc1noc([C@@H]2COCCN2C[C@H](O)C(F)(F)F)n1	ZINC000160895456	302852540	/nfs/dbraw/zinc/85/25/40/302852540.db2.gz	BXMQPFKMDWQAAB-YUMQZZPRSA-N	0	0	281.234	0.675	10	70		CCIERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC(C)(C)O)CC2	ZINC000161435451	519871419	/nfs/dbraw/zinc/87/14/19/519871419.db2.gz	ITWRWDISKMMLMJ-JTQLQIEISA-N	0	0	295.387	0.786	10	70		CCIERN
Cc1noc([C@@H]2COCCN2Cc2c[nH]nc2C)n1	ZINC000161053927	526658382	/nfs/dbraw/zinc/65/83/82/526658382.db2.gz	ZUVPEGJYKAITDJ-NSHDSACASA-N	0	0	263.301	0.983	10	70		CCIERN
C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000160619944	350704480	/nfs/dbraw/zinc/70/44/80/350704480.db2.gz	FMHGWVARRZEHBF-UZWSLXQKSA-N	0	0	266.341	0.539	10	70		CCIERN
C[C@H]1OCC[C@@H]1NC(=O)c1cnc2c(c1)ncn2C	ZINC000161032757	350711346	/nfs/dbraw/zinc/71/13/46/350711346.db2.gz	KWZHLLMRKAQQBH-SCZZXKLOSA-N	0	0	260.297	0.876	10	70		CCIERN
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCO	ZINC000159429261	350678299	/nfs/dbraw/zinc/67/82/99/350678299.db2.gz	KQCPBJPONQPFEY-SECBINFHSA-N	0	0	260.334	0.788	10	70		CCIERN
CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161196124	350715255	/nfs/dbraw/zinc/71/52/55/350715255.db2.gz	GMHLSOXSOQJHGT-RYUDHWBXSA-N	0	0	293.371	0.803	10	70		CCIERN
CC[C@@H](C)CN(CC)C(=O)C1CC2(C1)NC(=O)NC2=O	ZINC000159974369	350693514	/nfs/dbraw/zinc/69/35/14/350693514.db2.gz	JOYUYIOECHDHOA-NAUIOFCNSA-N	0	0	281.356	0.869	10	70		CCIERN
COC(=O)[C@H]1CN(C(=O)NC(C)(C)C)C[C@@H](C)O1	ZINC000160203534	284390315	/nfs/dbraw/zinc/39/03/15/284390315.db2.gz	RBQUEIXGIDOFNH-RKDXNWHRSA-N	0	0	258.318	0.757	10	70		CCIERN
O=C(C1=NNC(=O)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000160449469	526280734	/nfs/dbraw/zinc/28/07/34/526280734.db2.gz	IYLVESNPNWCCEL-HZMBPMFUSA-N	0	0	279.340	0.406	10	70		CCIERN
CCc1cc(=O)[nH]c(CN2CCC[C@H](NC(C)=O)C2)n1	ZINC000160887385	350708261	/nfs/dbraw/zinc/70/82/61/350708261.db2.gz	ZQNWSLLCPDICDQ-LBPRGKRZSA-N	0	0	278.356	0.845	10	70		CCIERN
C[C@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)CCS1	ZINC000159750642	350687439	/nfs/dbraw/zinc/68/74/39/350687439.db2.gz	FTUJHKDDXWTWHO-VHSXEESVSA-N	0	0	292.426	0.711	10	70		CCIERN
Nc1ncn(CC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)n1	ZINC000160310861	350699232	/nfs/dbraw/zinc/69/92/32/350699232.db2.gz	MXOJBASFCHCFDY-GXFFZTMASA-N	0	0	279.344	0.014	10	70		CCIERN
C[C@H](O)CNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217286932	351946182	/nfs/dbraw/zinc/94/61/82/351946182.db2.gz	CJNZQCQLYITRII-AAEUAGOBSA-N	0	0	291.351	0.468	10	70		CCIERN
O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)C1=NNC(=O)CC1	ZINC000159897816	389375596	/nfs/dbraw/zinc/37/55/96/389375596.db2.gz	NOGMZACEFOCESM-FXPVBKGRSA-N	0	0	265.313	0.326	10	70		CCIERN
COC[C@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1	ZINC000161118283	389404290	/nfs/dbraw/zinc/40/42/90/389404290.db2.gz	ZSLVRYZAMYCKRH-NWDGAFQWSA-N	0	0	293.371	0.661	10	70		CCIERN
CC[C@@H]1COCCN1C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161297254	389405564	/nfs/dbraw/zinc/40/55/64/389405564.db2.gz	IZOGUOPMELAOFV-WDEREUQCSA-N	0	0	279.344	0.413	10	70		CCIERN
CCOCCN(CC)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161145989	519906626	/nfs/dbraw/zinc/90/66/26/519906626.db2.gz	VZDBPVATKDYAHB-LLVKDONJSA-N	0	0	281.360	0.661	10	70		CCIERN
COc1cccc(F)c1[C@H](C)NC(=O)[C@H]1COCCN1	ZINC000161049887	350710753	/nfs/dbraw/zinc/71/07/53/350710753.db2.gz	BVFDIMMOWKHQDL-GXSJLCMTSA-N	0	0	282.315	1.000	10	70		CCIERN
CSC[C@@](C)(O)CNC(=O)N[C@H]1CCc2ncnn2C1	ZINC000161140208	350714207	/nfs/dbraw/zinc/71/42/07/350714207.db2.gz	QWFOLDKCSDUJOS-CABZTGNLSA-N	0	0	299.400	0.006	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)NC[C@H]1CCCS1	ZINC000159754852	350687500	/nfs/dbraw/zinc/68/75/00/350687500.db2.gz	ATGBYHDZUCWAQZ-NXEZZACHSA-N	0	0	271.386	0.802	10	70		CCIERN
CC(C)[C@H](O)CC(=O)N[C@@H]1CCCN(c2cccnn2)C1	ZINC000160319504	350698528	/nfs/dbraw/zinc/69/85/28/350698528.db2.gz	RNMWHZFQVQSJTF-CHWSQXEVSA-N	0	0	292.383	0.969	10	70		CCIERN
O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccc(F)nc1	ZINC000161380926	350719597	/nfs/dbraw/zinc/71/95/97/350719597.db2.gz	DSGYVBCWILGMIF-GXSJLCMTSA-N	0	0	295.314	0.827	10	70		CCIERN
C[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@H](C)O1	ZINC000161289330	389405525	/nfs/dbraw/zinc/40/55/25/389405525.db2.gz	XPOOEWAIJNSPNE-OUAUKWLOSA-N	0	0	279.344	0.412	10	70		CCIERN
CC1(C)CN(C(=O)N[C@@H]2CCc3ncnn3C2)CCO1	ZINC000161169081	278306353	/nfs/dbraw/zinc/30/63/53/278306353.db2.gz	KNGYVIQQRZGSQO-SNVBAGLBSA-N	0	0	279.344	0.413	10	70		CCIERN
NC(=O)[C@H]1COCCN1Cc1nc2ccccc2[nH]1	ZINC000161375629	527014435	/nfs/dbraw/zinc/01/44/35/527014435.db2.gz	TUTWKOIXVMOCGK-LLVKDONJSA-N	0	0	260.297	0.249	10	70		CCIERN
C[C@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CC(C)(C)O1	ZINC000161160382	290725466	/nfs/dbraw/zinc/72/54/66/290725466.db2.gz	LUSXRLMAFRCVCW-QWRGUYRKSA-N	0	0	293.371	0.802	10	70		CCIERN
O=C1CCC(=O)N1CCN1CCO[C@@H](c2nccs2)C1	ZINC000161443299	290735216	/nfs/dbraw/zinc/73/52/16/290735216.db2.gz	ZJXOSEAOELBALM-SNVBAGLBSA-N	0	0	295.364	0.665	10	70		CCIERN
C[C@@H]1OCC[C@H]1NC(=O)c1cnc2c(c1)ncn2C	ZINC000161032629	350710805	/nfs/dbraw/zinc/71/08/05/350710805.db2.gz	KWZHLLMRKAQQBH-WCBMZHEXSA-N	0	0	260.297	0.876	10	70		CCIERN
CSC[C@@](C)(O)CNC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161139971	350714302	/nfs/dbraw/zinc/71/43/02/350714302.db2.gz	QWFOLDKCSDUJOS-SKDRFNHKSA-N	0	0	299.400	0.006	10	70		CCIERN
COCCCOC1CN(C(=O)[C@@H]2CC[C@@H](C)O2)C1	ZINC000159374070	350676210	/nfs/dbraw/zinc/67/62/10/350676210.db2.gz	XBYYZCILLTZTEA-PWSUYJOCSA-N	0	0	257.330	0.818	10	70		CCIERN
O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCO[C@H](CO)C1	ZINC000160370079	389387393	/nfs/dbraw/zinc/38/73/93/389387393.db2.gz	JHEVNMGPFWNFSU-FRRDWIJNSA-N	0	0	284.356	0.347	10	70		CCIERN
O=C(N[C@H]1CCc2ncnn2C1)N1CCCSCC1	ZINC000161087723	389404103	/nfs/dbraw/zinc/40/41/03/389404103.db2.gz	WRNVJIBNAFWYPR-JTQLQIEISA-N	0	0	281.385	0.741	10	70		CCIERN
COCC1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161061563	389404344	/nfs/dbraw/zinc/40/43/44/389404344.db2.gz	BMQZUEYFHWJTKZ-LBPRGKRZSA-N	0	0	293.371	0.661	10	70		CCIERN
CCCNS(=O)(=O)N1CCO[C@H]2CCCC[C@H]21	ZINC000216853225	269745419	/nfs/dbraw/zinc/74/54/19/269745419.db2.gz	MPJBJGCRELJROC-MNOVXSKESA-N	0	0	262.375	0.874	10	70		CCIERN
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1COCCN1	ZINC000159666454	544693745	/nfs/dbraw/zinc/69/37/45/544693745.db2.gz	LIYFWXSTGPHMGV-FRRDWIJNSA-N	0	0	284.400	0.932	10	70		CCIERN
COC[C@H](C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000159987406	544696335	/nfs/dbraw/zinc/69/63/35/544696335.db2.gz	ABJBXVJQWURODN-BBGACYKPSA-N	0	0	270.373	0.670	10	70		CCIERN
CCCCN(CCO)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000160989524	520512668	/nfs/dbraw/zinc/51/26/68/520512668.db2.gz	GACBYRCMWNENBG-LLVKDONJSA-N	0	0	281.360	0.397	10	70		CCIERN
CCOC(=O)CCN1CCOC[C@@H]1c1nc(C)no1	ZINC000160931721	520681588	/nfs/dbraw/zinc/68/15/88/520681588.db2.gz	LVXNCUDJLWJYCR-SNVBAGLBSA-N	0	0	269.301	0.705	10	70		CCIERN
CS(=O)(=O)CCN1CC[C@@H](CNc2ccccn2)C1	ZINC000161142944	525122887	/nfs/dbraw/zinc/12/28/87/525122887.db2.gz	SRIYLKMPENRHRL-LBPRGKRZSA-N	0	0	283.397	0.860	10	70		CCIERN
C[C@H](NC(=O)c1cc(F)cc(Cl)c1[O-])C(N)=O	ZINC000160103905	350694890	/nfs/dbraw/zinc/69/48/90/350694890.db2.gz	OKIBFBNGTYNZMQ-BYPYZUCNSA-N	0	0	260.652	0.788	10	70		CCIERN
CCn1c(-c2ccn(C)c2)nc2c1c(=O)[nH]c(=O)n2CC	ZINC000160269035	389384615	/nfs/dbraw/zinc/38/46/15/389384615.db2.gz	AQGRGDNZUIOBMX-UHFFFAOYSA-N	0	0	287.323	0.932	10	70		CCIERN
C[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)N1CCOCC1	ZINC000160285253	389385413	/nfs/dbraw/zinc/38/54/13/389385413.db2.gz	SDMOKUGDMVIDJB-GXTWGEPZSA-N	0	0	285.388	0.264	10	70		CCIERN
C[C@H](NC(=O)C(C)(C)C)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1	ZINC000159658738	299024434	/nfs/dbraw/zinc/02/44/34/299024434.db2.gz	SZRQASFQTDJVML-SDDRHHMPSA-N	0	0	297.399	0.079	10	70		CCIERN
CCc1nnc(CN2CCOC[C@@H]2c2nc(C)no2)[nH]1	ZINC000160977997	522313920	/nfs/dbraw/zinc/31/39/20/522313920.db2.gz	KIIWPXPNCAJCDB-SECBINFHSA-N	0	0	278.316	0.632	10	70		CCIERN
CCn1cnnc1[C@@H]1CCCN(CC(=O)N(C)C)C1	ZINC000161305857	523597030	/nfs/dbraw/zinc/59/70/30/523597030.db2.gz	QDHOSCRJUNWMDN-LLVKDONJSA-N	0	0	265.361	0.566	10	70		CCIERN
Cc1noc([C@H]2COCCN2CC(=O)OCC(C)C)n1	ZINC000161023346	526672407	/nfs/dbraw/zinc/67/24/07/526672407.db2.gz	NKTPISYBOXLCEG-LLVKDONJSA-N	0	0	283.328	0.951	10	70		CCIERN
Cc1noc([C@H]2COCCN2Cc2c[nH]nc2C)n1	ZINC000161053799	526672519	/nfs/dbraw/zinc/67/25/19/526672519.db2.gz	ZUVPEGJYKAITDJ-LLVKDONJSA-N	0	0	263.301	0.983	10	70		CCIERN
COC[C@H]([NH3+])C(=O)NCc1ccc(-c2cc[nH]n2)cc1	ZINC000159401866	350677262	/nfs/dbraw/zinc/67/72/62/350677262.db2.gz	ZXOCZNMXXODCJJ-LBPRGKRZSA-N	0	0	274.324	0.667	10	70		CCIERN
CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161195884	350715200	/nfs/dbraw/zinc/71/52/00/350715200.db2.gz	GMHLSOXSOQJHGT-NEPJUHHUSA-N	0	0	293.371	0.803	10	70		CCIERN
CSC[C@](C)(O)CNC(=O)NCCn1cc(C)cn1	ZINC000160288795	389385476	/nfs/dbraw/zinc/38/54/76/389385476.db2.gz	YFZOKDQCHQASTH-GFCCVEGCSA-N	0	0	286.401	0.605	10	70		CCIERN
C[C@@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CCS1	ZINC000161195362	389404455	/nfs/dbraw/zinc/40/44/55/389404455.db2.gz	YLQHQLCPQSSYQH-ZJUUUORDSA-N	0	0	281.385	0.740	10	70		CCIERN
CCNC(=O)CN1CCC[C@H](c2nncn2CC)C1	ZINC000161427102	521737256	/nfs/dbraw/zinc/73/72/56/521737256.db2.gz	KPOVUMYYOVWTGT-NSHDSACASA-N	0	0	265.361	0.614	10	70		CCIERN
COc1cccc(F)c1[C@@H](C)NC(=O)[C@H]1COCCN1	ZINC000161049986	350711333	/nfs/dbraw/zinc/71/13/33/350711333.db2.gz	BVFDIMMOWKHQDL-MWLCHTKSSA-N	0	0	282.315	1.000	10	70		CCIERN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCSCC1	ZINC000161337857	350718242	/nfs/dbraw/zinc/71/82/42/350718242.db2.gz	YDAHQBBLKXDYKI-SECBINFHSA-N	0	0	267.358	0.351	10	70		CCIERN
CN(CCOCc1ccccc1)C(=O)[C@@H]1CNC(=O)C1	ZINC000159417112	188424346	/nfs/dbraw/zinc/42/43/46/188424346.db2.gz	BDVYGSPAWVVWGH-ZDUSSCGKSA-N	0	0	276.336	0.798	10	70		CCIERN
C[C@@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)C[C@H]1O	ZINC000161090786	389404312	/nfs/dbraw/zinc/40/43/12/389404312.db2.gz	NKDRZSYGMZPOMO-BXKDBHETSA-N	0	0	274.324	0.811	10	70		CCIERN
COCC1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161061430	389404558	/nfs/dbraw/zinc/40/45/58/389404558.db2.gz	BMQZUEYFHWJTKZ-GFCCVEGCSA-N	0	0	293.371	0.661	10	70		CCIERN
CC1(C)CN(C(=O)N[C@H]2CCc3ncnn3C2)CCO1	ZINC000161169203	278308259	/nfs/dbraw/zinc/30/82/59/278308259.db2.gz	KNGYVIQQRZGSQO-JTQLQIEISA-N	0	0	279.344	0.413	10	70		CCIERN
CS(=O)(=O)c1ccc(Nc2n[nH]cc2C(N)=O)cc1	ZINC000218406564	351958120	/nfs/dbraw/zinc/95/81/20/351958120.db2.gz	LGNIAGVWSVZWNT-UHFFFAOYSA-N	0	0	280.309	0.656	10	70		CCIERN
Cn1cnc2cc(C(=O)N3CCN(C4CC4)C(=O)C3)cnc21	ZINC000160711251	389397690	/nfs/dbraw/zinc/39/76/90/389397690.db2.gz	RIHPHOKSBNHVEZ-UHFFFAOYSA-N	0	0	299.334	0.415	10	70		CCIERN
C[C@@H]1COCCN1C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000160929844	288337789	/nfs/dbraw/zinc/33/77/89/288337789.db2.gz	SCLZXLVSTZMPLG-NXEZZACHSA-N	0	0	265.317	0.023	10	70		CCIERN
CCOC(=O)CCN1CCOC[C@H]1c1nc(C)no1	ZINC000160931850	520679771	/nfs/dbraw/zinc/67/97/71/520679771.db2.gz	LVXNCUDJLWJYCR-JTQLQIEISA-N	0	0	269.301	0.705	10	70		CCIERN
COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCn3ccnc3C2)C1	ZINC000161193862	523686042	/nfs/dbraw/zinc/68/60/42/523686042.db2.gz	DLHYKNJWSGZSPE-NWDGAFQWSA-N	0	0	291.351	0.857	10	70		CCIERN
CN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161255537	350716502	/nfs/dbraw/zinc/71/65/02/350716502.db2.gz	ZGSDGENLCQFHCP-QWRGUYRKSA-N	0	0	279.344	0.413	10	70		CCIERN
COCc1cc(N2CCOC[C@H]2C2CC2)n2ncnc2n1	ZINC000159682926	350684710	/nfs/dbraw/zinc/68/47/10/350684710.db2.gz	YVRRUYJJHIULFP-LBPRGKRZSA-N	0	0	289.339	0.886	10	70		CCIERN
CNC(=O)C(C)(C)CNC(=O)c1cnc2c(c1)ncn2C	ZINC000160923617	389402538	/nfs/dbraw/zinc/40/25/38/389402538.db2.gz	FXSQCGXCEJLLOX-UHFFFAOYSA-N	0	0	289.339	0.470	10	70		CCIERN
CC(C)CC1(CNC(=O)C2CC3(C2)NC(=O)NC3=O)CC1	ZINC000160379495	519625164	/nfs/dbraw/zinc/62/51/64/519625164.db2.gz	QKZPSODEDBEOFJ-UHFFFAOYSA-N	0	0	293.367	0.917	10	70		CCIERN
C[C@@H](O)CNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217286934	136951776	/nfs/dbraw/zinc/95/17/76/136951776.db2.gz	CJNZQCQLYITRII-DGCLKSJQSA-N	0	0	291.351	0.468	10	70		CCIERN
CC(C)(C)[C@@H](O)CNC(=O)c1sccc1-n1cnnn1	ZINC000159675246	389371384	/nfs/dbraw/zinc/37/13/84/389371384.db2.gz	JASHFZWLSTUJPQ-VIFPVBQESA-N	0	0	295.368	0.861	10	70		CCIERN
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1	ZINC000160770060	520829527	/nfs/dbraw/zinc/82/95/27/520829527.db2.gz	ZXIPUHOMQMOZAB-NXEZZACHSA-N	0	0	296.323	0.856	10	70		CCIERN
CN(C[C@@H]1CCC[C@@H]1O)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161404388	523064216	/nfs/dbraw/zinc/06/42/16/523064216.db2.gz	BOVIHGXKAKPJME-TUAOUCFPSA-N	0	0	293.371	0.395	10	70		CCIERN
COCCN(CCO)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1	ZINC000160613778	523704306	/nfs/dbraw/zinc/70/43/06/523704306.db2.gz	CYDPFHCFZTYJPE-LBPRGKRZSA-N	0	0	298.383	0.245	10	70		CCIERN
Cc1noc([C@H]2COCCN2CCCCCO)n1	ZINC000161003892	526672840	/nfs/dbraw/zinc/67/28/40/526672840.db2.gz	LXXZAYGAADUGMP-LLVKDONJSA-N	0	0	255.318	0.914	10	70		CCIERN
O=C(Cn1cccnc1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160478104	527390700	/nfs/dbraw/zinc/39/07/00/527390700.db2.gz	KNIHQZKTWYRCSW-DOMZBBRYSA-N	0	0	291.351	0.397	10	70		CCIERN
COC[C@H](O)CNS(=O)(=O)/C=C\c1ccccc1	ZINC000217127683	616743833	/nfs/dbraw/zinc/74/38/33/616743833.db2.gz	YSBVKIIAMYGQMR-QDZRJHCZSA-N	0	0	271.338	0.584	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)N[C@H](C)C1CCOCC1	ZINC000159960822	350693112	/nfs/dbraw/zinc/69/31/12/350693112.db2.gz	COBRHHFIOFUFIG-ZYHUDNBSSA-N	0	0	283.372	0.722	10	70		CCIERN
CN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161255287	350717117	/nfs/dbraw/zinc/71/71/17/350717117.db2.gz	ZGSDGENLCQFHCP-MNOVXSKESA-N	0	0	279.344	0.413	10	70		CCIERN
Nc1ccc(C(=O)N2CCC(n3cnnc3)CC2)cn1	ZINC000217208033	189708939	/nfs/dbraw/zinc/70/89/39/189708939.db2.gz	DRBBXFFKVIKFAQ-UHFFFAOYSA-N	0	0	272.312	0.733	10	70		CCIERN
CN(C[C@@H]1CCCCO1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161029734	350710055	/nfs/dbraw/zinc/71/00/55/350710055.db2.gz	IAHQFZXXAFDCLE-RYUDHWBXSA-N	0	0	293.371	0.803	10	70		CCIERN
CC[C@H](C)CN(CC)C(=O)C1CC2(C1)NC(=O)NC2=O	ZINC000159974544	350693388	/nfs/dbraw/zinc/69/33/88/350693388.db2.gz	JOYUYIOECHDHOA-IPWFMCSPSA-N	0	0	281.356	0.869	10	70		CCIERN
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H]1COCCN1	ZINC000160861705	389401382	/nfs/dbraw/zinc/40/13/82/389401382.db2.gz	RJJKDVBQJMLQSG-HUUCEWRRSA-N	0	0	292.379	0.865	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@]1(C)CCCO1	ZINC000159699719	544694012	/nfs/dbraw/zinc/69/40/12/544694012.db2.gz	RQGBCWRWLLBMHW-GXFFZTMASA-N	0	0	269.345	0.476	10	70		CCIERN
CCOCCN(CC)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161146106	519907726	/nfs/dbraw/zinc/90/77/26/519907726.db2.gz	VZDBPVATKDYAHB-NSHDSACASA-N	0	0	281.360	0.661	10	70		CCIERN
CCC[C@@H](NC(=O)CNC(C)=O)C(=O)OC(C)(C)C	ZINC000161348131	520731241	/nfs/dbraw/zinc/73/12/41/520731241.db2.gz	IQCXCDXTGIBOHR-SNVBAGLBSA-N	0	0	272.345	0.749	10	70		CCIERN
CCn1cnnc1[C@H]1CCCN(CC(=O)NC2CC2)C1	ZINC000161312199	523605347	/nfs/dbraw/zinc/60/53/47/523605347.db2.gz	OGGCODLUCGZJAU-NSHDSACASA-N	0	0	277.372	0.756	10	70		CCIERN
CC(C)[C@@H](O)CC(=O)N[C@H]1CCN(C(C)C)C1=O	ZINC000160185486	350696875	/nfs/dbraw/zinc/69/68/75/350696875.db2.gz	KAHWBBDOWIPNRC-QWRGUYRKSA-N	0	0	256.346	0.519	10	70		CCIERN
CCC[C@H](O)CNC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161296631	350717572	/nfs/dbraw/zinc/71/75/72/350717572.db2.gz	IJPSXMPCLGWPMO-ZJUUUORDSA-N	0	0	267.333	0.053	10	70		CCIERN
Cc1noc(CN2CCO[C@](C)(c3cnn(C)c3)C2)n1	ZINC000159371373	389365827	/nfs/dbraw/zinc/36/58/27/389365827.db2.gz	DCSOFNWPONADJZ-ZDUSSCGKSA-N	0	0	277.328	0.859	10	70		CCIERN
CC(C)NS(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21	ZINC000216853252	397433397	/nfs/dbraw/zinc/43/33/97/397433397.db2.gz	BQXHWTTTYJUHBU-GHMZBOCLSA-N	0	0	262.375	0.873	10	70		CCIERN
CN(CCC1CCOCC1)C(=O)[C@@H]1COCCN1	ZINC000160351523	397418102	/nfs/dbraw/zinc/41/81/02/397418102.db2.gz	CHGOGTDIKUHMFB-LBPRGKRZSA-N	0	0	256.346	0.250	10	70		CCIERN
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@@H]1COCCN1	ZINC000159666198	544694394	/nfs/dbraw/zinc/69/43/94/544694394.db2.gz	LIYFWXSTGPHMGV-RWMBFGLXSA-N	0	0	284.400	0.932	10	70		CCIERN
COC(=O)CCCN1CCOC[C@@H]1c1nc(C)no1	ZINC000160791702	523018035	/nfs/dbraw/zinc/01/80/35/523018035.db2.gz	MLRWFEHVYQPZNJ-SNVBAGLBSA-N	0	0	269.301	0.705	10	70		CCIERN
O=C(CCn1ccnn1)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160411099	526678795	/nfs/dbraw/zinc/67/87/95/526678795.db2.gz	XIIYCCFYGIMPSR-OCCSQVGLSA-N	0	0	278.356	0.822	10	70		CCIERN
COC[C@@H](O)CNS(=O)(=O)/C=C\c1ccccc1	ZINC000217127698	616923592	/nfs/dbraw/zinc/92/35/92/616923592.db2.gz	YSBVKIIAMYGQMR-KRZKBDHCSA-N	0	0	271.338	0.584	10	70		CCIERN
C[C@H](O)CNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217286936	351945743	/nfs/dbraw/zinc/94/57/43/351945743.db2.gz	CJNZQCQLYITRII-WCQYABFASA-N	0	0	291.351	0.468	10	70		CCIERN
C[C@@H]1CN(S(=O)(=O)NCc2ccncc2)[C@H](C)CO1	ZINC000159487405	389367695	/nfs/dbraw/zinc/36/76/95/389367695.db2.gz	GXYVCMOBZQGUEX-GHMZBOCLSA-N	0	0	285.369	0.525	10	70		CCIERN
CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2COCCN2)C1(C)C	ZINC000160499131	389391420	/nfs/dbraw/zinc/39/14/20/389391420.db2.gz	FGRBULRBTJOWLE-QJPTWQEYSA-N	0	0	270.373	0.637	10	70		CCIERN
CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2COCCN2)C1(C)C	ZINC000160498843	389391489	/nfs/dbraw/zinc/39/14/89/389391489.db2.gz	FGRBULRBTJOWLE-SDDRHHMPSA-N	0	0	270.373	0.637	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)NC[C@H](CCO)CC(C)C	ZINC000159372774	544692452	/nfs/dbraw/zinc/69/24/52/544692452.db2.gz	ZGTPNTMCYNBRKZ-CHWSQXEVSA-N	0	0	299.415	0.951	10	70		CCIERN
CCc1nnc(CN2CCOC[C@H]2c2nc(C)no2)[nH]1	ZINC000160978117	522316066	/nfs/dbraw/zinc/31/60/66/522316066.db2.gz	KIIWPXPNCAJCDB-VIFPVBQESA-N	0	0	278.316	0.632	10	70		CCIERN
Cn1nccc1/C=C/C(=O)NC[C@H]1CN(C2CC2)CCO1	ZINC000160377998	527591283	/nfs/dbraw/zinc/59/12/83/527591283.db2.gz	GQQLJNDVZJIIOD-NNTXTVRGSA-N	0	0	290.367	0.413	10	70		CCIERN
Cn1nccc1/C=C/C(=O)NC[C@@H]1CN(C2CC2)CCO1	ZINC000160377908	527591656	/nfs/dbraw/zinc/59/16/56/527591656.db2.gz	GQQLJNDVZJIIOD-ISZGNANSSA-N	0	0	290.367	0.413	10	70		CCIERN
C[C@@H](O)CNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217286931	136951811	/nfs/dbraw/zinc/95/18/11/136951811.db2.gz	CJNZQCQLYITRII-YPMHNXCESA-N	0	0	291.351	0.468	10	70		CCIERN
CSC[C@](C)(O)CNC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161139839	350714195	/nfs/dbraw/zinc/71/41/95/350714195.db2.gz	QWFOLDKCSDUJOS-BXKDBHETSA-N	0	0	299.400	0.006	10	70		CCIERN
Cn1cnc2cc(C(=O)NC[C@H]3CCC[C@H]3O)cnc21	ZINC000159912130	350691195	/nfs/dbraw/zinc/69/11/95/350691195.db2.gz	LTXGTVSAZXRCHU-BXKDBHETSA-N	0	0	274.324	0.859	10	70		CCIERN
C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@@H]1COCCN1	ZINC000161508817	350723125	/nfs/dbraw/zinc/72/31/25/350723125.db2.gz	NKOICKKSMQGGHJ-XBFCOCLRSA-N	0	0	278.352	0.603	10	70		CCIERN
O=C(NCCCO)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217287023	351946321	/nfs/dbraw/zinc/94/63/21/351946321.db2.gz	KRERFRRFYVGMIX-CYBMUJFWSA-N	0	0	291.351	0.469	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H](C)SC	ZINC000160223535	389383708	/nfs/dbraw/zinc/38/37/08/389383708.db2.gz	HYELASKAICKYBW-IUCAKERBSA-N	0	0	259.375	0.658	10	70		CCIERN
CN(C)C(=O)CC(=O)N(C)c1ccc2c(c1)OCO2	ZINC000160599037	389394504	/nfs/dbraw/zinc/39/45/04/389394504.db2.gz	ZSLSZFKXKIULMS-UHFFFAOYSA-N	0	0	264.281	0.856	10	70		CCIERN
CN1C[C@H](C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1=O	ZINC000160350015	524019463	/nfs/dbraw/zinc/01/94/63/524019463.db2.gz	HHWWYPSUAJPKAI-LALPHHSUSA-N	0	0	280.368	0.618	10	70		CCIERN
O=C(C1=NNC(=O)CC1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000160449595	526280724	/nfs/dbraw/zinc/28/07/24/526280724.db2.gz	IYLVESNPNWCCEL-IINYFYTJSA-N	0	0	279.340	0.406	10	70		CCIERN
Cc1noc([C@H]2COCCN2C[C@H](O)COC(C)(C)C)n1	ZINC000160837996	526673006	/nfs/dbraw/zinc/67/30/06/526673006.db2.gz	NJMDAGKUUJASJU-NWDGAFQWSA-N	0	0	299.371	0.927	10	70		CCIERN
O=C(C[C@H]1Sc2ccccc2NC1=O)N1CC(O)C1	ZINC000161455203	527185971	/nfs/dbraw/zinc/18/59/71/527185971.db2.gz	LLJKOBOAWUCLTJ-LLVKDONJSA-N	0	0	278.333	0.693	10	70		CCIERN
CN(C[C@@H]1CCCCO1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161029465	350709985	/nfs/dbraw/zinc/70/99/85/350709985.db2.gz	IAHQFZXXAFDCLE-NEPJUHHUSA-N	0	0	293.371	0.803	10	70		CCIERN
O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(F)nc1	ZINC000161380798	350719421	/nfs/dbraw/zinc/71/94/21/350719421.db2.gz	DSGYVBCWILGMIF-KOLCDFICSA-N	0	0	295.314	0.827	10	70		CCIERN
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@H]1COCCN1	ZINC000160861606	389401022	/nfs/dbraw/zinc/40/10/22/389401022.db2.gz	RJJKDVBQJMLQSG-CABCVRRESA-N	0	0	292.379	0.865	10	70		CCIERN
COC[C@@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1	ZINC000161118416	389404271	/nfs/dbraw/zinc/40/42/71/389404271.db2.gz	ZSLVRYZAMYCKRH-NEPJUHHUSA-N	0	0	293.371	0.661	10	70		CCIERN
COC(=O)CCCN1CCOC[C@H]1c1nc(C)no1	ZINC000160791581	523016376	/nfs/dbraw/zinc/01/63/76/523016376.db2.gz	MLRWFEHVYQPZNJ-JTQLQIEISA-N	0	0	269.301	0.705	10	70		CCIERN
O=C(NCC1(O)CCCCC1)N[C@@H]1CCc2ncnn2C1	ZINC000161204320	527575411	/nfs/dbraw/zinc/57/54/11/527575411.db2.gz	CYFCTMIGGZEKQF-LLVKDONJSA-N	0	0	293.371	0.587	10	70		CCIERN
CN(CCO)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217287108	351945983	/nfs/dbraw/zinc/94/59/83/351945983.db2.gz	DMQPTAUYUVLWEA-ZDUSSCGKSA-N	0	0	291.351	0.421	10	70		CCIERN
C[C@@]1(O)CCCN(C(=O)NCc2nnc3ccccn32)C1	ZINC000159894268	389375846	/nfs/dbraw/zinc/37/58/46/389375846.db2.gz	UTYRDVYONZSQRF-CQSZACIVSA-N	0	0	289.339	0.786	10	70		CCIERN
Cn1cnc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1	ZINC000160588987	389393495	/nfs/dbraw/zinc/39/34/95/389393495.db2.gz	QYHVDACZURXJOE-YPMHNXCESA-N	0	0	299.396	0.736	10	70		CCIERN
CCCCCN(CCO)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161004157	520167970	/nfs/dbraw/zinc/16/79/70/520167970.db2.gz	GZMALAPZBVEMCE-LBPRGKRZSA-N	0	0	295.387	0.787	10	70		CCIERN
CS(=O)(=O)CCN1CC[C@H](CNc2ccccn2)C1	ZINC000161142820	525122215	/nfs/dbraw/zinc/12/22/15/525122215.db2.gz	SRIYLKMPENRHRL-GFCCVEGCSA-N	0	0	283.397	0.860	10	70		CCIERN
C[C@@H](NC(=O)c1ccnnc1)c1nnc2n1CCCC2	ZINC000161232816	525366013	/nfs/dbraw/zinc/36/60/13/525366013.db2.gz	YFOOANJMEOHBHQ-SECBINFHSA-N	0	0	272.312	0.895	10	70		CCIERN
Cc1noc([C@@H]2COCCN2CC(=O)OCC(C)C)n1	ZINC000161023221	526657483	/nfs/dbraw/zinc/65/74/83/526657483.db2.gz	NKTPISYBOXLCEG-NSHDSACASA-N	0	0	283.328	0.951	10	70		CCIERN
O=C(CCn1ccnn1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000160411374	526679117	/nfs/dbraw/zinc/67/91/17/526679117.db2.gz	XIIYCCFYGIMPSR-JSGCOSHPSA-N	0	0	278.356	0.822	10	70		CCIERN
C[C@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CC(C)(C)O1	ZINC000161160208	350713828	/nfs/dbraw/zinc/71/38/28/350713828.db2.gz	LUSXRLMAFRCVCW-WDEREUQCSA-N	0	0	293.371	0.802	10	70		CCIERN
COC(=O)[C@@H]1CCCCN1CCCCS(C)(=O)=O	ZINC000161308261	350718863	/nfs/dbraw/zinc/71/88/63/350718863.db2.gz	KUUWGTSIVUTOFW-NSHDSACASA-N	0	0	277.386	0.839	10	70		CCIERN
C[C@@H](CNC(=O)c1cccc(F)n1)N1CCOCC1	ZINC000161482777	350722260	/nfs/dbraw/zinc/72/22/60/350722260.db2.gz	RQWIUAFQCHLIHK-JTQLQIEISA-N	0	0	267.304	0.671	10	70		CCIERN
CSC[C@@](C)(O)CNC(=O)NCCn1cc(C)cn1	ZINC000160288654	389385942	/nfs/dbraw/zinc/38/59/42/389385942.db2.gz	YFZOKDQCHQASTH-LBPRGKRZSA-N	0	0	286.401	0.605	10	70		CCIERN
Cn1cnc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1	ZINC000160588841	389393485	/nfs/dbraw/zinc/39/34/85/389393485.db2.gz	QYHVDACZURXJOE-DGCLKSJQSA-N	0	0	299.396	0.736	10	70		CCIERN
Cn1cnc2cc(C(=O)NC[C@H](O)C3CC3)cnc21	ZINC000160808334	397418227	/nfs/dbraw/zinc/41/82/27/397418227.db2.gz	CVDMLKKWFQZZOV-NSHDSACASA-N	0	0	260.297	0.469	10	70		CCIERN
O=C(COC[C@@H]1CCOC1)NC[C@H]1CN(C2CC2)CCO1	ZINC000160372064	526934121	/nfs/dbraw/zinc/93/41/21/526934121.db2.gz	CUYORJPWMSMBED-OCCSQVGLSA-N	0	0	298.383	0.019	10	70		CCIERN
Cn1cnc2cc(C(=O)N[C@H]3CCc4ncnn4C3)cnc21	ZINC000160488459	527499559	/nfs/dbraw/zinc/49/95/59/527499559.db2.gz	TZKOPHQQCNEOKX-JTQLQIEISA-N	0	0	297.322	0.305	10	70		CCIERN
CCCCCNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1	ZINC000160197724	136841565	/nfs/dbraw/zinc/84/15/65/136841565.db2.gz	WSKYXQPUZDMZPO-NXEZZACHSA-N	0	0	257.334	0.461	10	70		CCIERN
Cc1c(C(=O)NC[C@H]2CN(C)CCO2)cnn1CC(C)C	ZINC000161170795	350714859	/nfs/dbraw/zinc/71/48/59/350714859.db2.gz	BZIBTUCQABGWRD-ZDUSSCGKSA-N	0	0	294.399	0.908	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCCSC1	ZINC000159480584	350679501	/nfs/dbraw/zinc/67/95/01/350679501.db2.gz	KDFYPDBPHJEZPX-NXEZZACHSA-N	0	0	271.386	0.802	10	70		CCIERN
CN(C)C(=O)CC(=O)N(C)CC(C)(C)CN1CCOCC1	ZINC000159620953	350682993	/nfs/dbraw/zinc/68/29/93/350682993.db2.gz	IWSBQCCCEBHDLZ-UHFFFAOYSA-N	0	0	299.415	0.282	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H]1CCCS1	ZINC000159754720	350687393	/nfs/dbraw/zinc/68/73/93/350687393.db2.gz	ATGBYHDZUCWAQZ-ZJUUUORDSA-N	0	0	271.386	0.802	10	70		CCIERN
CC[C@@H](C(=O)N1CCC[C@@H](C(=O)OC)C1)[NH+](C)C	ZINC000161371184	350719640	/nfs/dbraw/zinc/71/96/40/350719640.db2.gz	MZDDPWOGVXJVJD-MNOVXSKESA-N	0	0	256.346	0.738	10	70		CCIERN
C[C@H]1COCCN1C(=O)N[C@H]1CCc2ncnn2C1	ZINC000160930221	290954595	/nfs/dbraw/zinc/95/45/95/290954595.db2.gz	SCLZXLVSTZMPLG-UWVGGRQHSA-N	0	0	265.317	0.023	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H](CCO)CC(C)C	ZINC000159373158	544694174	/nfs/dbraw/zinc/69/41/74/544694174.db2.gz	ZGTPNTMCYNBRKZ-STQMWFEESA-N	0	0	299.415	0.951	10	70		CCIERN
O=C(N[C@@H]1CCOC2(CCCC2)C1)C1=NNC(=O)CC1	ZINC000161284375	303874340	/nfs/dbraw/zinc/87/43/40/303874340.db2.gz	OOHDLDYHRLHJGH-SNVBAGLBSA-N	0	0	279.340	0.860	10	70		CCIERN
Cc1noc([C@@H]2COCCN2C[C@H](O)COCC(C)C)n1	ZINC000160771484	526658600	/nfs/dbraw/zinc/65/86/00/526658600.db2.gz	OLFIQTDHOSCRQR-STQMWFEESA-N	0	0	299.371	0.785	10	70		CCIERN
CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1=O	ZINC000159633589	528975151	/nfs/dbraw/zinc/97/51/51/528975151.db2.gz	RPUVRQGQDFKTLD-OPRDCNLKSA-N	0	0	268.313	0.206	10	70		CCIERN
COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1COCCN1	ZINC000161049650	350711172	/nfs/dbraw/zinc/71/11/72/350711172.db2.gz	BVFDIMMOWKHQDL-ONGXEEELSA-N	0	0	282.315	1.000	10	70		CCIERN
C[C@H]1COCCN1C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000160929971	389402716	/nfs/dbraw/zinc/40/27/16/389402716.db2.gz	SCLZXLVSTZMPLG-VHSXEESVSA-N	0	0	265.317	0.023	10	70		CCIERN
CNC(=O)[C@H]1CCCN1C(=O)NC[C@@]1(C)CCCO1	ZINC000159699503	544694363	/nfs/dbraw/zinc/69/43/63/544694363.db2.gz	RQGBCWRWLLBMHW-ZWNOBZJWSA-N	0	0	269.345	0.476	10	70		CCIERN
CC1(C)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCS1(=O)=O	ZINC000160146132	281203261	/nfs/dbraw/zinc/20/32/61/281203261.db2.gz	VJQISMWSWIWKII-MXWKQRLJSA-N	0	0	287.381	0.590	10	70		CCIERN
Cn1ccnc1CN1CCC(c2ccnn2CCO)CC1	ZINC000160901636	350708014	/nfs/dbraw/zinc/70/80/14/350708014.db2.gz	OOUATHHSMJZWPP-UHFFFAOYSA-N	0	0	289.383	0.989	10	70		CCIERN
CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21	ZINC000159942762	350692169	/nfs/dbraw/zinc/69/21/69/350692169.db2.gz	SVNDMJWPDIECTN-FVCCEPFGSA-N	0	0	295.383	0.864	10	70		CCIERN
C[C@H](C[C@@H](O)c1ccccc1)NC(=O)[C@@H]1COCCN1	ZINC000161509040	350722997	/nfs/dbraw/zinc/72/29/97/350722997.db2.gz	NKOICKKSMQGGHJ-KWCYVHTRSA-N	0	0	278.352	0.603	10	70		CCIERN
COC(=O)c1cn(Cc2nnc3n2CCCC3)nn1	ZINC000217322984	351946996	/nfs/dbraw/zinc/94/69/96/351946996.db2.gz	ZEWDUHCFHBVJLG-UHFFFAOYSA-N	0	0	262.273	0.041	10	70		CCIERN
CC[C@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)CCO1	ZINC000161174406	248992494	/nfs/dbraw/zinc/99/24/94/248992494.db2.gz	XQYQKGKKRVRLHK-QWRGUYRKSA-N	0	0	279.344	0.413	10	70		CCIERN
CC[C@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)CCO1	ZINC000161174159	389403985	/nfs/dbraw/zinc/40/39/85/389403985.db2.gz	XQYQKGKKRVRLHK-MNOVXSKESA-N	0	0	279.344	0.413	10	70		CCIERN
C[C@H](C(=O)NCC(=O)N1CCCC1)C1CCOCC1	ZINC000161306706	389405316	/nfs/dbraw/zinc/40/53/16/389405316.db2.gz	GCGONMOLELJUSG-NSHDSACASA-N	0	0	268.357	0.788	10	70		CCIERN
CN(C[C@H]1CCCCO1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161029852	523105739	/nfs/dbraw/zinc/10/57/39/523105739.db2.gz	IAHQFZXXAFDCLE-NWDGAFQWSA-N	0	0	293.371	0.803	10	70		CCIERN
CC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)C(C)(C)C	ZINC000159670556	526680896	/nfs/dbraw/zinc/68/08/96/526680896.db2.gz	GEVHOVKUHWKSBZ-UWVGGRQHSA-N	0	0	274.386	0.431	10	70		CCIERN