canonical_smiles	compound_chembl_id	standard_relation	standard_value	publication_year	document_chembl_id
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@]3(C)C[C@H](c4ccoc4)OC(=O)C3CC[C@]21C	CHEMBL3664217	=	41.0	2013	CHEMBL3638558
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@]3(C)C[C@@H](C(=O)O)OC(=O)C3CC[C@]21C	CHEMBL3664216	=	55.0	2013	CHEMBL3638558
COC[C@@H]1C[C@]2(C)[C@H]3C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]3(C)CC[C@H]2C(=O)O1	CHEMBL456695	=	498.0	2013	CHEMBL3638558
CCOC[C@@H]1C[C@]2(C)[C@H]3C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]3(C)CC[C@H]2C(=O)O1	CHEMBL458869	=	497.0	2013	CHEMBL3638558
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](COC(C)=O)C[C@]21C	CHEMBL514597	=	555.0	2013	CHEMBL3638558
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccs3)C[C@]21C	CHEMBL458870	=	38.0	2013	CHEMBL3638558
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cnccn3)C[C@]21C	CHEMBL457341	=	83.0	2013	CHEMBL3638558
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(O)c3ccco3)C[C@]21C	CHEMBL456055	=	20.0	2013	CHEMBL3638558
COC(=O)[C@@H]1C[C@]2(C)[C@H]3C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]3(C)CC[C@H]2C(=O)O1	CHEMBL456056	=	154.0	2013	CHEMBL3638558
CCOC(=O)[C@@H]1C[C@]2(C)[C@H]3C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]3(C)CC[C@H]2C(=O)O1	CHEMBL456057	=	196.0	2013	CHEMBL3638558
O=c1[nH]c2ccccc2n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c1=O	CHEMBL3665423	=	439.0	2014	CHEMBL3638667
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)OC(C)C)C[C@]21C	CHEMBL456923	=	109.0	2013	CHEMBL3638558
NC(=O)Cn1c(=O)c(=O)n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21	CHEMBL3665424	=	6950.0	2014	CHEMBL3638667
O=C(O)CN1CCC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1	CHEMBL3704576	=	353.0	2015	CHEMBL3639368
N#CCn1c(=O)c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21	CHEMBL3665433	=	4232.0	2014	CHEMBL3638667
O=c1[nH]c2ccc(N3CCOCC3)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3665436	=	559.0	2014	CHEMBL3638667
O=c1[nH]c2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3665440	=	170.0	2014	CHEMBL3638667
O=c1[nH]c2ccccc2n([C@H]2C[C@H]3C=C[C@@H](C2)N3C2/C=C\CCCCC2)c1=O	CHEMBL3665443	=	119.0	2014	CHEMBL3638667
O=c1[nH]c2ccccc2n([C@@H]2C[C@H]3C=C[C@@H](C2)N3C2/C=C\CCCCC2)c1=O	CHEMBL3665444	=	682.0	2014	CHEMBL3638667
O=c1[nH]c2ncccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3665435	=	1317.0	2014	CHEMBL3638667
O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc2N1	CHEMBL3665425	=	355.0	2014	CHEMBL3638667
O=c1[nH]c2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3665419	=	167.0	2014	CHEMBL3638667
CC(C)C1CCC(N2CCC(n3c(=O)c(=O)[nH]c4ccccc43)CC2)CC1	CHEMBL3665422	=	880.0	2014	CHEMBL3638667
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNC(=O)[C@H](C)N)C2	CHEMBL3965826	=	13.8	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691854	=	0.06	2015	CHEMBL3639331
CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5	CHEMBL3691855	=	0.09	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](C)N)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691856	=	0.14	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CO)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691857	=	0.18	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691858	=	0.06	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)C1CCCN1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691859	=	0.07	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691860	=	0.13	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691861	=	3.05	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691862	=	0.25	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](C)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691863	=	0.35	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691864	=	0.16	2015	CHEMBL3639331
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cl)c(Cl)c1)C2	CHEMBL4112289	=	5.02	2015	CHEMBL3638402
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cc3c(cc1Cl)OCO3)C2	CHEMBL4106939	=	66.73	2015	CHEMBL3638402
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C)cc1)C2	CHEMBL4108501	=	117.13	2015	CHEMBL3638402
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5	CHEMBL3678964	=	0.26	2015	CHEMBL3638402
CO[C@]12CC[C@@]3(C[C@@H]1COCc1cc4ccccc4s1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5	CHEMBL3678965	=	0.78	2015	CHEMBL3638402
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5	CHEMBL3678966	=	1.06	2015	CHEMBL3638402
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5	CHEMBL3678967	=	0.55	2015	CHEMBL3638402
COc1ccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CC[N+](C)(CC2CC2)[C@@H]4C6)cc1	CHEMBL3678968	=	56.98	2015	CHEMBL3638402
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccccc1)C2	CHEMBL4111313	=	348.08	2015	CHEMBL3638402
O=C(O)CCC[C@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc31)[C@@H]2CC(=O)O	CHEMBL3688135	=	64.47	2015	CHEMBL3638511
O=C(O)/C=C1\[C@H]2Cc3ccc(O)cc3[C@]1(CCCC(=O)O)CCN2CC1CC1	CHEMBL4114012	=	33.15	2015	CHEMBL3638511
CN(C)C(=O)CCC[C@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc31)/C2=C\C(=O)O	CHEMBL4106660	=	42.53	2015	CHEMBL3638511
O=C(O)/C=C1\[C@H]2Cc3ccc(O)cc3[C@]1(CCCC(=O)O)CCN2CC1CC1	CHEMBL4114012	=	66.82	2015	CHEMBL3638511
COc1ccc2c(c1)[C@@]1(CCO)CCN(CC3CC3)[C@H](C2)[C@@H]1CO	CHEMBL3688138	=	89.61	2015	CHEMBL3638511
COc1ccc2c(c1)[C@@]1(CC(N)=O)CCN(CC3CC3)[C@H](C2)[C@@H]1CO	CHEMBL3688139	=	79.08	2015	CHEMBL3638511
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CN)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691865	=	0.07	2015	CHEMBL3639331
O=C(O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704583	=	150.0	2015	CHEMBL3639368
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691866	=	0.13	2015	CHEMBL3639331
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccoc1)C2	CHEMBL4108857	=	35.04	2015	CHEMBL3638402
O=C(O)CN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704584	=	65.2	2015	CHEMBL3639368
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccoc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5	CHEMBL3678971	=	0.29	2015	CHEMBL3638402
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cc3ccccc3o1)C2	CHEMBL4108315	=	17.31	2015	CHEMBL3638402
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc3ccccc3c1)C2	CHEMBL4106588	=	165.12	2015	CHEMBL3638402
CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5	CHEMBL3691867	=	0.4	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691868	=	0.16	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691869	=	0.95	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CNC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691870	=	0.22	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CC(=O)O)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691871	=	7.1	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CC(N)=O)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691872	=	0.62	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CC(C)C)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691873	=	0.35	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(N)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691874	=	0.09	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CO)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691875	=	0.61	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccc(Cl)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5	CHEMBL3678974	=	0.59	2015	CHEMBL3638402
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cc[nH]c(=O)c4)cc2)c(O)c13	CHEMBL3667199	=	140.0	2015	CHEMBL3638770
O=C(O)CCN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704586	=	828.0	2015	CHEMBL3639368
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cn[nH]c4)cc2)c(O)c13	CHEMBL3667197	=	19.0	2015	CHEMBL3638770
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)C1=CNC4C=CC=CC14)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691876	=	0.11	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691877	=	0.07	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccsc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5	CHEMBL3678975	=	0.2	2015	CHEMBL3638402
NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704588	=	123.0	2015	CHEMBL3639368
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1F)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5	CHEMBL3678976	=	0.2	2015	CHEMBL3638402
CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5	CHEMBL3678977	=	0.29	2015	CHEMBL3638402
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6c[nH]c(=O)[nH]c6=O)cc5)c(O)c4[C@@]2(CCN3CCc2ccccc2)C1	CHEMBL3667192	>	1000.0	2015	CHEMBL3638770
CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691878	=	0.08	2015	CHEMBL3639331
O=C(O)CN1CCCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704589	=	108.0	2015	CHEMBL3639368
CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)C(F)(F)F)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691879	=	0.37	2015	CHEMBL3639331
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647958	=	4763.0	2013	CHEMBL3638658
CO[C@@]12CCC(=O)C[C@@]13CCN(C)[C@@H]2Cc1ccc(C(=O)NCCc2ccc(-c4c[nH]c(=O)[nH]c4=O)cc2)c(O)c13	CHEMBL3667196	=	860.0	2015	CHEMBL3638770
CO[C@]12CC[C@@]3(C[C@@H]1CNS(C)(=O)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691880	=	0.74	2015	CHEMBL3639331
O=C(O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704590	=	16.3	2015	CHEMBL3639368
COC12CC[C@@]3(C[C@@H]1CNC(=O)CCC(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691881	=	2.62	2015	CHEMBL3639331
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647958	=	2280.0	2013	CHEMBL3638658
CN1CC[C@]23CC(=O)CCC2[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c13	CHEMBL3667198	=	400.0	2015	CHEMBL3638770
O=C(O)CN1CCC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1	CHEMBL3704591	=	700.0	2015	CHEMBL3639368
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccccc4)cc2)c(O)c13	CHEMBL3667190	=	0.71	2015	CHEMBL3638770
COC12CC[C@@]3(C[C@@H]1CNC(=O)CCC(N)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691882	=	0.17	2015	CHEMBL3639331
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(N)=O)cc1)C2	CHEMBL4109521	=	1031.97	2015	CHEMBL3638402
C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc4ccccc41)C3)C2	CHEMBL3647962	=	75.4	2013	CHEMBL3638658
O=C(O)CCN1CCC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1	CHEMBL3704592	=	254.0	2015	CHEMBL3639368
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647959	>	20000.0	2013	CHEMBL3638658
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cnc(O)nc4O)cc2)c(O)c13	CHEMBL3667194	=	190.0	2015	CHEMBL3638770
COC12CC[C@@]3(C[C@@H]1CNC(=O)CCCCC(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3639907	=	13.52	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(F)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5	CHEMBL3678979	=	0.25	2015	CHEMBL3638402
O=C(O)CN1CCC/C(=C2/N(CC(=O)O)c3ccccc3N2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1	CHEMBL3704594	=	41.3	2015	CHEMBL3639368
CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(Cl)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5	CHEMBL3678980	=	0.27	2015	CHEMBL3638402
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O	CHEMBL3647961	=	5345.0	2013	CHEMBL3638658
COC12CC[C@@]3(C[C@@H]1CNC(=O)CCCCC(N)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691883	=	0.47	2015	CHEMBL3639331
O=C(O)CCN1CCC(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)CC1	CHEMBL3704598	=	822.0	2015	CHEMBL3639368
COC12CC[C@@]3(C[C@@H]1CNC(=O)c1nccnc1C(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691884	=	15.28	2015	CHEMBL3639331
COC12CC[C@@]3(C[C@@H]1CNC(=O)c1nccnc1C(N)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691885	=	0.48	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1Cl)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5	CHEMBL3678981	=	0.19	2015	CHEMBL3638402
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647959	=	2691.0	2013	CHEMBL3638658
O=C(O)CN1CCN(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1	CHEMBL3704606	=	6800.0	2015	CHEMBL3639368
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647959	>	20000.0	2013	CHEMBL3638658
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O	CHEMBL3647961	>	20000.0	2013	CHEMBL3638658
C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc4ccccc41)C3)C2	CHEMBL3647962	=	691.0	2013	CHEMBL3638658
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=CC3C1C5	CHEMBL409938	=	230.0	2015	CHEMBL3638770
COC12CC[C@@]3(C[C@@H]1CNC(=O)c1ccccc1C(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691886	=	0.32	2015	CHEMBL3639331
COC12CC[C@@]3(C[C@@H]1CNC(=O)CCc1nnn[nH]1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691887	=	1.15	2015	CHEMBL3639331
COC12CC[C@@]3(C[C@@H]1CNC(=O)Nc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691888	=	0.08	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5	CHEMBL3678982	=	0.47	2015	CHEMBL3638402
CCOC(=N)/N=c1\[nH]c2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3704607	=	59.0	2015	CHEMBL3639368
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(C)(F)F)cc1)C2	CHEMBL4108094	=	112.07	2015	CHEMBL3638402
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O	CHEMBL3647963	=	18180.0	2013	CHEMBL3638658
C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6c[nH]c(=O)[nH]c6=O)cc5)c(O)c4[C@@]2(CCN3C)C1	CHEMBL3667195	=	1000.0	2015	CHEMBL3638770
COC12CC[C@@]3(C[C@@H]1CNC(=O)Nc1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691889	=	0.1	2015	CHEMBL3639331
NC(=O)/N=c1\[nH]c2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3704608	=	33.7	2015	CHEMBL3639368
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccco1)C2	CHEMBL4113404	=	10.57	2015	CHEMBL3638402
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647959	=	6143.0	2013	CHEMBL3638658
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccc(=O)[nH]c4)cc2)c(O)c13	CHEMBL3667193	=	180.0	2015	CHEMBL3638770
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cnc(O)nc4O)cc2)c(O)c13	CHEMBL3667194	=	680.0	2015	CHEMBL3638770
CONC(=N)/N=c1\[nH]c2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3704609	=	26.2	2015	CHEMBL3639368
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O	CHEMBL3647960	=	8900.0	2013	CHEMBL3638658
COC(=O)/N=c1\n(CC(N)=O)c2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3704610	=	594.0	2015	CHEMBL3639368
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O	CHEMBL3647963	=	76.0	2013	CHEMBL3638658
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c13	CHEMBL3667191	=	850.0	2015	CHEMBL3638770
O=C(O)CNc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1	CHEMBL3704612	=	265.0	2015	CHEMBL3639368
O=C(O)CN1CC[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1	CHEMBL3695678	=	2.52	2015	CHEMBL3639236
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O	CHEMBL3647960	=	640.0	2013	CHEMBL3638658
OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1	CHEMBL3704613	=	246.0	2015	CHEMBL3639368
C[C@H](N)C(=O)N1CC[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1	CHEMBL3695677	=	0.09	2015	CHEMBL3639236
O=C(O)CO/N=C/c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1	CHEMBL3704614	=	1543.0	2015	CHEMBL3639368
O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1Cc1ccc(O)cc1	CHEMBL3695668	=	6.27	2015	CHEMBL3639236
c1ccc2c(c1)nc(-c1nnn[nH]1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704616	=	566.0	2015	CHEMBL3639368
Oc1ccc2c(c1)[C@@]13CCNC[C@H]1[C@@H](C2)N(CC1CC1)CC3	CHEMBL3695676	=	0.21	2015	CHEMBL3639236
CS(=O)(=O)NCCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704620	=	43.7	2015	CHEMBL3639368
Oc1ccc(CN2CC[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc53)[C@@H]4C2)cc1	CHEMBL3695675	=	0.98	2015	CHEMBL3639236
C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL219495	=	112.0	2013	CHEMBL3638450
O=C(O)CN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704623	=	344.0	2015	CHEMBL3639368
O=C(O)CCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1	CHEMBL3704625	=	614.0	2015	CHEMBL3639368
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1CNC(=O)C3	CHEMBL3695666	=	5.84	2015	CHEMBL3639236
CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1	CHEMBL3704627	=	58.3	2015	CHEMBL3639368
COc1ccc(CN2C[C@H]3[C@H]4Cc5ccc(OC)cc5[C@@]3(CCN4CC3CC3)CC2=O)cc1	CHEMBL3695664	=	410.89	2015	CHEMBL3639236
C[C@H]1CN2C[C@H](c3ccccc3)CC[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL426523	=	8.9	2013	CHEMBL3638450
CCN(CC)C(=O)CN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1	CHEMBL3704629	=	30.4	2015	CHEMBL3639368
COc1ccc(CN2C=C3[C@H]4Cc5ccc(OC)cc5[C@@]3(CCN4CC3CC3)CC2=O)cc1	CHEMBL3695665	=	13.06	2015	CHEMBL3639236
O=C(O)CN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704623	=	254.0	2015	CHEMBL3639368
NC(=O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL3695667	=	0.55	2015	CHEMBL3639236
C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL376690	=	44.0	2013	CHEMBL3638450
c1ccc2c(c1)nc(C[C@H]1COCCN1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704631	=	31.3	2015	CHEMBL3639368
C[C@H]1CN2CCN(C(=O)c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL218404	=	190.0	2013	CHEMBL3638450
c1ccc2c(c1)nc(C[C@@H]1COCCN1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704632	=	50.1	2015	CHEMBL3639368
C[C@H]1CN2C[C@H](c3ccccc3)N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL218520	=	12.0	2013	CHEMBL3638450
NC(=O)CN1CC[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1	CHEMBL3695674	=	0.26	2015	CHEMBL3639236
O=C(O)CCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704634	=	444.0	2015	CHEMBL3639368
COc1ccc(CN2CC[C@]34CCN(CC5CC5)[C@H](Cc5ccc(OC)cc53)[C@@H]4C2)cc1	CHEMBL3695672	=	204.49	2015	CHEMBL3639236
O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1	CHEMBL3695670	=	0.18	2015	CHEMBL3639236
C[C@H]1CN2C[C@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL435746	=	85.0	2013	CHEMBL3638450
O=C(O)CN1CCCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704635	=	169.0	2015	CHEMBL3639368
C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL219319	=	18.0	2013	CHEMBL3638450
O=C(O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL3695671	=	4.03	2015	CHEMBL3639236
c1ccc2c(c1)nc(Cc1cnccn1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704636	=	114.8	2015	CHEMBL3639368
COc1ccc2c(c1)[C@@]13CCNC[C@H]1[C@@H](C2)N(CC1CC1)CC3	CHEMBL3695673	=	37.0	2015	CHEMBL3639236
O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)C3=CN1Cc1ccc(O)cc1	CHEMBL3695669	=	1.27	2015	CHEMBL3639236
Cc1nnc(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)[nH]1	CHEMBL3704637	=	130.0	2015	CHEMBL3639368
c1ccc2c(c1)nc(-c1c[nH]cn1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704644	=	89.6	2015	CHEMBL3639368
c1ccc2c(c1)nc(-c1cc[nH]n1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1	CHEMBL3704645	=	51.0	2015	CHEMBL3639368
Cn1cc(Cl)c(-c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)n1	CHEMBL3704646	=	79.0	2015	CHEMBL3639368
CC(C)(C)OC(=O)N1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1	CHEMBL3695216	=	135.8	2014	CHEMBL3886144
O=c1c(NCC(O)CO)nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1	CHEMBL3695217	=	224.0	2014	CHEMBL3886144
NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695218	=	154.0	2014	CHEMBL3886144
O=C(O)C1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3695219	=	657.0	2014	CHEMBL3886144
N[C@@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3695221	=	14.9	2014	CHEMBL3886144
NC(=O)[C@H](CO)Nc1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695222	=	5350.0	2014	CHEMBL3886144
O=C(O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695224	=	2840.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O	CHEMBL3647963	=	76.0	2015	CHEMBL3886266
O=C(O)Cc1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695228	=	19250.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O	CHEMBL3647960	=	640.0	2015	CHEMBL3886266
O=C(O)CC1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3695229	=	1203.0	2014	CHEMBL3886144
O=C(O)[C@@H](CO)Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695230	=	998.0	2014	CHEMBL3886144
O=C1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)N1	CHEMBL3695234	=	381.0	2014	CHEMBL3886144
COc1ccc(NC(=O)c2nc3ccccc3n([C@]3(C)C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cn1	CHEMBL3695235	=	55.8	2014	CHEMBL3886144
CONC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695236	=	460.0	2014	CHEMBL3886144
O=C(Nc1ccc(=O)[nH]c1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695237	=	161.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n(C2CC3CCC(C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3906430	=	2691.0	2015	CHEMBL3886266
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H]([C@](O)(CC(O)CO)c1ccccc1)C2	CHEMBL4107541	=	12.89	2015	CHEMBL3886333
COc1ccc(NC(=O)c2nc3ccccc3n([C@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cn1	CHEMBL3695238	=	743.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647959	=	6143.0	2015	CHEMBL3886266
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647958	=	2280.0	2015	CHEMBL3886266
O=C(Nc1ccc(=O)[nH]c1)c1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695239	=	2600.0	2014	CHEMBL3886144
O=C(NCC(O)CO)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695240	=	380.0	2014	CHEMBL3886144
C[C@]12CC[C@H](C[C@H](N3C(=O)C(N[C@@H](CO)C(=O)O)Nc4ccccc43)C1)N2C1CCCCCCC1	CHEMBL3898898	=	422.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(NCC(=O)O)c1ccccc1)C2	CHEMBL4115057	=	52.21	2015	CHEMBL3886333
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4111224	=	0.46	2015	CHEMBL3886452
O=C(NO)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695242	=	480.0	2014	CHEMBL3886144
N[C@]12CCC[C@H](C[C@H](n3c(=O)c(C(=O)O)nc4ccccc43)C1)N2C1CC2CCCC(C2)C1	CHEMBL4114883	=	5345.0	2015	CHEMBL3886266
C[C@@]12CC[C@@H](C[C@@H](n3c(=O)c(C(=O)NCC(=O)O)nc4ccccc43)C1)N2C1CCCCCCC1	CHEMBL3695243	=	250.0	2014	CHEMBL3886144
C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc4ccccc41)C3)C2	CHEMBL3647962	=	75.4	2015	CHEMBL3886266
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(N)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4107680	=	0.28	2015	CHEMBL3886452
O=C(NC(CO)C(=O)O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695244	=	180.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC(CC(C4)C2)C3)c1=O	CHEMBL3695245	=	2430.0	2014	CHEMBL3886144
C=Cc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4115338	=	0.23	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(NC(C)C(=O)O)c1ccccc1)C2	CHEMBL4110838	=	138.42	2015	CHEMBL3886333
O=C(O)CNCCNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3639941	=	707.0	2014	CHEMBL3886144
O=C(O)CN(CCNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)CC(=O)O	CHEMBL3695249	=	3320.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(NC(C)C(N)=O)c1ccccc1)C2	CHEMBL4111934	=	40.13	2015	CHEMBL3886333
O=C(O)[C@@H](Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)c1ccccc1	CHEMBL3695251	=	346.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4107906	=	0.19	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3262089	=	0.49	2016	CHEMBL3886520
O=C(O)[C@H](Cc1ccccc1)Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695252	=	534.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3262090	=	4.4	2016	CHEMBL3886520
O=C(O)C1(O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3695253	=	871.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(NC(C(=O)O)c1ccccc1)c1ccccc1)C2	CHEMBL4108359	=	51.34	2015	CHEMBL3886333
O=C1NC(=O)C2(CCN(c3nc4ccccc4n([C@@H]4C[C@@H]5CC[C@H](C4)N5C4CCCCCCC4)c3=O)CC2)N1	CHEMBL3695254	=	67.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccc(-n3ccnc3)cc1)C2	CHEMBL4113804	=	31.23	2015	CHEMBL3886452
O=C(O)C1CCN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3939135	=	568.0	2014	CHEMBL3886144
CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3581740	=	0.08	2016	CHEMBL3886520
CO[C@]12C=C[C@@]3(C[C@]1(C)[C@@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3581745	=	3.02	2016	CHEMBL3886520
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(N[C@@H](C(N)=O)c1ccccc1)c1ccccc1)C2	CHEMBL4107606	=	21.82	2015	CHEMBL3886333
CO[C@H]1C=CC2C3Cc4ccc(O)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3923831	=	118.38	2016	CHEMBL3886551
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc3ccccc3s1)C2	CHEMBL4107470	=	45.49	2015	CHEMBL3886452
CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3262093	=	3.84	2016	CHEMBL3886520
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cc(C)cc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3262367	=	0.1	2016	CHEMBL3886520
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc3ccccc3s1)C2	CHEMBL4106544	=	8.03	2015	CHEMBL3886452
O=C(O)CNC(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695255	=	1493.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3262363	=	0.16	2016	CHEMBL3886520
NC1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3695256	=	224.0	2014	CHEMBL3886144
CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3581741	=	0.04	2016	CHEMBL3886520
COCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4110373	=	444.54	2016	CHEMBL3886551
CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(-n4ccnc4)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4115091	=	4.18	2015	CHEMBL3886452
O=C1CN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CCN1	CHEMBL3698861	=	25.9	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc(C)ns1)C2	CHEMBL4111378	=	15.02	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3581750	=	0.04	2016	CHEMBL3886520
CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3581743	=	0.05	2016	CHEMBL3886520
O=C(O)C(CO)NCCNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698862	=	863.0	2014	CHEMBL3886144
COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4107642	=	404.33	2016	CHEMBL3886551
CC(=O)NC1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3698863	=	256.0	2014	CHEMBL3886144
O=C(O)C1(O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3698864	=	1650.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL3916122	=	0.09	2015	CHEMBL3886452
NC(=O)CN(CCNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)CC(=O)O	CHEMBL3698865	=	740.0	2014	CHEMBL3886144
COCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4112562	=	575.98	2016	CHEMBL3886551
CC(C)(Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O	CHEMBL3698866	=	890.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(-n4ccnc4)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4110639	=	0.09	2015	CHEMBL3886452
C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CC[C@@H]1C[C@H](n1c(=O)c(N4CC[C@@H]4C(=O)O)nc4ccccc41)C3)C2	CHEMBL4111642	=	323.0	2016	CHEMBL3886630
O=C(O)C1(Nc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CCCCC1	CHEMBL3698867	=	920.0	2014	CHEMBL3886144
O=C(O)N1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1=O	CHEMBL3698868	=	1360.0	2014	CHEMBL3886144
COCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4106506	=	438.88	2016	CHEMBL3886551
O=C(O)CN1CC2CN(c3nc4ccccc4n([C@@H]4C[C@@H]5CC[C@H](C4)N5C4CCCCCCC4)c3=O)CC2C1	CHEMBL3698869	=	134.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc(C)ns1)C2	CHEMBL4110417	=	399.88	2015	CHEMBL3886452
CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL511142	=	0.04	2016	CHEMBL3886656
O=C(O)C1CCCN1C(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698870	=	750.0	2014	CHEMBL3886144
C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CC[C@@H]1C[C@H](n1c(=O)c(N4CC[C@H]4C(=O)O)nc4ccccc41)C3)C2	CHEMBL3942346	=	116.0	2016	CHEMBL3886630
O=C(O)C(=O)N1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1	CHEMBL3698872	=	488.0	2014	CHEMBL3886144
COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4108649	=	557.54	2016	CHEMBL3886551
CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5c2[C@@]4(CCN1CC1CC1)[C@H]3O5	CHEMBL4107585	=	0.12	2016	CHEMBL3886656
O=C(O)CC1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3698873	=	1153.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nncs1)C2	CHEMBL4113984	=	461.98	2015	CHEMBL3886452
NC1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3698874	=	429.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nncs1)C2	CHEMBL4108301	=	2.43	2015	CHEMBL3886452
O=C(O)CN(CCO)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698876	=	2032.0	2014	CHEMBL3886144
CCC1O[C@](C)(C(C)(C)C)[C@H]2C[C@@]34CC[C@]2(O1)[C@@H]1Oc2c(O)ccc5c2[C@@]13CCN(CC1CC1)[C@@H]4C5	CHEMBL4113162	=	0.19	2016	CHEMBL3886656
O=C(O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O	CHEMBL3970857	=	289.0	2016	CHEMBL3886630
COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4112722	=	773.56	2016	CHEMBL3886551
CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698877	=	46.3	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4108017	=	0.02	2015	CHEMBL3886452
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698878	=	440.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NS(C)(=O)=O)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4111233	=	0.53	2015	CHEMBL3886452
CC(C)C1CCC(N2[C@H]3CC[C@@H]2C[C@H](n2c(=O)c(C(=O)O)nc4ccccc42)C3)CC1	CHEMBL3698879	=	2055.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@H]2C[C@H]3COC[C@@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698882	=	6000.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NC(C)=O)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4110440	=	15.18	2015	CHEMBL3886452
CCCC1O[C@](C)(C(C)(C)C)[C@H]2C[C@@]34CC[C@]2(O1)[C@@H]1Oc2c(O)ccc5c2[C@@]13CCN(CC1CC1)[C@@H]4C5	CHEMBL4111049	=	0.72	2016	CHEMBL3886656
C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(N4CC[C@H]4C(=O)O)nc4ccccc41)C3)C2	CHEMBL3894621	=	40.8	2016	CHEMBL3886630
COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4110642	=	669.56	2016	CHEMBL3886551
CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698884	=	66.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC(CC(C4)C2)C3)c1=O	CHEMBL3695245	=	3500.0	2014	CHEMBL3886144
COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4108525	=	1253.71	2016	CHEMBL3886551
COc1ccc2c3c1O[C@@H]1[C@]34CCN[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4112656	=	0.08	2015	CHEMBL3886452
CC(C)(C)[C@@]1(C)OC(c2ccccc2)O[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5c2[C@@]4(CCN1CC1CC1)[C@H]3O5	CHEMBL4113900	=	4.61	2016	CHEMBL3886656
C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(N4CC(C(=O)O)C4)nc4ccccc41)C3)C2	CHEMBL3986914	=	113.0	2016	CHEMBL3886630
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2Cc3cccc4cccc2c34)c1=O	CHEMBL3698889	=	1600.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(Br)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109652	=	0.24	2015	CHEMBL3886452
CC1(N2CCC(n3c(=O)c(C(=O)O)nc4ccccc43)CC2)CCCCCCC1	CHEMBL3698890	=	1116.0	2014	CHEMBL3886144
CC(C)(C)[C@@]1(C)OCO[C@]23C=C[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5c2[C@@]4(CCN1CC1CC1)[C@H]3O5	CHEMBL4109805	=	0.44	2016	CHEMBL3886656
CC12C[C@@H]3C[C@H]1C[C@H]2C[C@H](N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(N4CC[C@@H]4C(=O)O)nc4ccccc41)C2)C3	CHEMBL4115318	=	137.0	2016	CHEMBL3886630
CC12CC3CC(C)(C1)CC(N1[C@H]4CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc5ccccc51)C4)(C3)C2	CHEMBL3698892	=	1430.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@H]1[C@@H](O)C=CC4[C@@H](C2)N(C)CC[C@@]341	CHEMBL2448883	=	28067.0	2016	CHEMBL3886551
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4107210	=	1.76	2015	CHEMBL3886452
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CC4CC(CC(C4)C2)C3)c1=O	CHEMBL3698893	=	5625.0	2014	CHEMBL3886144
CC12C[C@@H]3C[C@H]1C[C@H]2C[C@H](N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(N4CC[C@H]4C(=O)O)nc4ccccc41)C2)C3	CHEMBL4114020	=	159.0	2016	CHEMBL3886630
CCC1(N2CCC(n3c(=O)c(C(=O)O)nc4ccccc43)CC2)CCCCCCC1	CHEMBL3889570	=	2473.0	2014	CHEMBL3886144
CCCC1(N2CCC(n3c(=O)c(C(=O)O)nc4ccccc43)CC2)CCCCCCC1	CHEMBL3698894	=	3272.0	2014	CHEMBL3886144
CC12C[C@@H]3C[C@H]1C[C@H]2C[C@H](N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(N4CC(C(=O)O)C4)nc4ccccc41)C2)C3	CHEMBL4113014	=	111.4	2016	CHEMBL3886630
COCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3895828	=	54669.89	2016	CHEMBL3886551
CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(OCc5ccccc5)c5c2[C@@]4(CCN1CC1CC1)[C@H]3O5	CHEMBL4115381	=	757.0	2016	CHEMBL3886656
O=C(O)N[C@@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3698895	=	447.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4114477	=	0.15	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1)[C@H]2O5	CHEMBL4111231	=	0.08	2015	CHEMBL3886452
O=C(O)c1ccncc1Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698896	=	64.2	2014	CHEMBL3886144
CN(C(=O)O)[C@@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3698897	=	223.4	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CC4CC(CC(C4)C2)C3)c1=O	CHEMBL3698893	=	5035.0	2014	CHEMBL3886144
C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(N4CC(CC(=O)O)C4)nc4ccccc41)C3)C2	CHEMBL3903565	=	72.3	2016	CHEMBL3886630
CC12CC3CC(C)(C1)CC(N1[C@H]4CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc5ccccc51)C4)(C3)C2	CHEMBL3698892	=	6866.0	2014	CHEMBL3886144
COCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3937789	=	22603.05	2016	CHEMBL3886551
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(=O)O)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4109258	=	5.49	2015	CHEMBL3886452
CC(C)(C)CC(C)(C)N1[C@H]2CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2	CHEMBL3698898	=	16760.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1c(C)noc1C)C2	CHEMBL4114002	=	5.74	2015	CHEMBL3886452
CC12C[C@@H]3C[C@H]1C[C@H]2C[C@H](N1[C@@H]2COC[C@H]1C[C@@H](n1c(=O)c(N4CC[C@H]4C(=O)O)nc4ccccc41)C2)C3	CHEMBL4112220	=	7050.0	2016	CHEMBL3886630
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCCCC2)c1=O	CHEMBL3698899	=	565.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1cc4ccccc4s1)[C@H]1Cc4ccc(OCCO)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4106985	=	2.51	2015	CHEMBL3886452
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCCC2)c1=O	CHEMBL3698900	=	375.0	2014	CHEMBL3886144
COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3934684	=	36539.78	2016	CHEMBL3886551
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2C3CCCC2CCC3)c1=O	CHEMBL3698901	=	4470.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1c(C)noc1C)C2	CHEMBL4112472	=	0.15	2015	CHEMBL3886452
COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@]1(CC[C@@]1(C3)NC(=O)NC1=O)C2	CHEMBL3944286	=	4758.0	2016	CHEMBL3886698
CC1(C)[C@H]2CC[C@@H](CCN3[C@H]4CCC[C@@H]3C[C@H](n3c(=O)c(N5CC[C@@H]5C(=O)O)nc5ccccc53)C4)[C@@H]1C2	CHEMBL3920823	=	128.0	2016	CHEMBL3886630
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCC2)c1=O	CHEMBL3698902	=	425.0	2014	CHEMBL3886144
COCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3967811	=	96978.61	2016	CHEMBL3886551
CO[C@]12CC[C@@]3(C[C@@H]1CNCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4112358	=	6.69	2015	CHEMBL3886452
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2C3CCCC2CCC3)c1=O	CHEMBL3698903	=	1547.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCC2)c1=O	CHEMBL3698904	=	469.0	2014	CHEMBL3886144
COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@]1(CC[C@]1(C3)NC(=O)NC1=O)C2	CHEMBL3986032	=	8406.0	2016	CHEMBL3886698
O=C(NC(Cc1c[nH]cn1)C(=O)O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698906	=	129.5	2014	CHEMBL3886144
COCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3933053	=	59138.22	2016	CHEMBL3886551
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNCc1ccccc1)C2	CHEMBL4113058	=	0.04	2015	CHEMBL3886452
O=C(NC(Cc1ccccc1)C(=O)O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698907	=	49.7	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CN(Cc1ccccc1)S(C)(=O)=O)C2	CHEMBL4112051	=	0.43	2015	CHEMBL3886452
CC1(C)[C@H]2CC[C@@H](CCN3[C@H]4CCC[C@@H]3C[C@H](n3c(=O)c(N5CC[C@H]5C(=O)O)nc5ccccc53)C4)[C@@H]1C2	CHEMBL3957299	=	274.0	2016	CHEMBL3886630
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O	CHEMBL3647963	=	76.0	2014	CHEMBL3886144
COCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3956767	>	160000.0	2016	CHEMBL3886551
COC(=O)c1cc2c([nH]c1=O)C[C@@]13CCN(CC4CC4)C[C@@]1(Cc1ccc(OC)cc13)C2	CHEMBL4113236	=	3602.0	2016	CHEMBL3886698
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CN(Cc1ccccc1)C(C)=O)C2	CHEMBL4112771	=	0.14	2015	CHEMBL3886452
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647958	=	2280.0	2014	CHEMBL3886144
COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1cc(C(N)=O)c(=O)[nH]c1C3	CHEMBL4113521	=	4285.0	2016	CHEMBL3886698
CC1(C)[C@H]2CC[C@@H](CCN3[C@H]4CCC[C@@H]3C[C@H](n3c(=O)c(N5CC(C(=O)O)C5)nc5ccccc53)C4)[C@@H]1C2	CHEMBL3926298	=	1770.0	2016	CHEMBL3886630
COCCOCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3984515	=	108317.5	2016	CHEMBL3886551
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSCc1ccccc1)C2	CHEMBL4107918	=	0.14	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C[S+]([O-])Cc1ccccc1)C2	CHEMBL4108066	=	0.43	2015	CHEMBL3886452
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647958	=	5345.0	2014	CHEMBL3886144
COCCOCCOCCOC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5	CHEMBL4113830	=	37.04	2015	CHEMBL3886452
NC(=O)c1cc2c([nH]c1=O)C[C@@]13CCN(CC4CC4)C[C@@]1(Cc1ccc(O)cc13)C2	CHEMBL4108929	=	147.6	2016	CHEMBL3886698
CN(C)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698834	=	257.0	2014	CHEMBL3886144
O=C(O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)c1=O	CHEMBL3935191	=	223.0	2016	CHEMBL3886630
COCCOCCOCCOCCOCCOC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5	CHEMBL4106700	=	47.06	2015	CHEMBL3886452
O=c1c(NCCO)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698835	=	888.0	2014	CHEMBL3886144
COCCOCCOCCOc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4111124	=	2.55	2015	CHEMBL3886452
O=C1NC(=O)[C@@]2(CC[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)C2)N1	CHEMBL3916263	=	72.5	2016	CHEMBL3886698
COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3911284	=	72246.23	2016	CHEMBL3886551
O=c1c(N2CC3CNCC3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698836	=	22.5	2014	CHEMBL3886144
O=C(O)CC1CN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4[C@H]3C[C@H]4CCCC[C@H](C4)C3)c2=O)C1	CHEMBL3973642	=	135.0	2016	CHEMBL3886630
O=c1c(NCc2ccccc2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698837	=	165.2	2014	CHEMBL3886144
O=C(O)[C@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)c1=O	CHEMBL4107594	=	188.0	2016	CHEMBL3886630
COCCOCCOCCOCCOCCOc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4110312	=	10.13	2015	CHEMBL3886452
CC(C)(C)OC(=O)NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698838	=	296.0	2014	CHEMBL3886144
O=C1NC(=O)[C@]2(CC[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)C2)N1	CHEMBL3981333	=	147.8	2016	CHEMBL3886698
NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698840	=	167.6	2014	CHEMBL3886144
Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314	CHEMBL895	=	29.95	2016	CHEMBL3886551
COCCOCCOCCOc1ccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1	CHEMBL4109389	=	47.27	2015	CHEMBL3886452
O=c1c(N2CCNCC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698841	=	73.5	2014	CHEMBL3886144
O=C(O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)c1=O	CHEMBL3941054	=	86.0	2016	CHEMBL3886630
CS(=O)(=O)NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698842	=	905.0	2014	CHEMBL3886144
COCCOCCOCCOCCOCCOc1ccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1	CHEMBL4115652	=	42.46	2015	CHEMBL3886452
CN1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1	CHEMBL3698843	=	15.1	2014	CHEMBL3886144
N[C@@H]1CN(c2nc3ccccc3n([C@@H]3C[C@@H]4CCC[C@H](C3)N4[C@H]3C[C@H]4CCCC[C@H](C4)C3)c2=O)[C@@H]1C(=O)O	CHEMBL4107295	=	11.6	2016	CHEMBL3886630
COCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5	CHEMBL3954154	=	218.1	2016	CHEMBL3886551
CC(=O)N1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1	CHEMBL3698844	=	283.0	2014	CHEMBL3886144
COC(=O)COc1ccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1	CHEMBL4111803	=	12.07	2015	CHEMBL3886452
Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698846	=	92.9	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(OCC(=O)O)cc1)C2	CHEMBL4111244	=	31.61	2015	CHEMBL3886452
CN(C)[C@@H]1CN(c2nc3ccccc3n([C@@H]3C[C@@H]4CCC[C@H](C3)N4[C@H]3C[C@H]4CCCC[C@H](C4)C3)c2=O)[C@@H]1C(=O)O	CHEMBL4110144	=	7.4	2016	CHEMBL3886630
COC(=O)C1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695257	=	328.0	2014	CHEMBL3886144
COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5	CHEMBL3901176	=	35.56	2016	CHEMBL3886551
CC(=O)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698847	=	622.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CCC(N)=O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4112155	=	1.71	2015	CHEMBL3886452
O=C1CN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CCN1	CHEMBL3698848	=	303.0	2014	CHEMBL3886144
O=C(O)[C@@H]1CCCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O	CHEMBL3895142	=	38.0	2016	CHEMBL3886630
O=c1c(N2Cc3ccccc3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698849	=	11500.0	2014	CHEMBL3886144
COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5	CHEMBL3947626	=	246.9	2016	CHEMBL3886551
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNCC(=O)O)C2	CHEMBL4111763	=	51.45	2015	CHEMBL3886452
CC(C)(C)OC(=O)NC1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695259	=	151.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(=O)NCC(=O)O)cc1)C2	CHEMBL4106505	=	434.84	2015	CHEMBL3886452
NC1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695260	=	30.4	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNCC(N)=O)C2	CHEMBL4114486	=	15.81	2015	CHEMBL3886452
CC12C[C@@H]3C[C@H]1C[C@H]2C[C@H](N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(N4CCC[C@H]4C(=O)O)nc4ccccc41)C2)C3	CHEMBL4112615	=	51.0	2016	CHEMBL3886630
CC(=O)NC1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695261	=	514.0	2014	CHEMBL3886144
COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5	CHEMBL3966308	=	346.1	2016	CHEMBL3886551
C=CCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698850	=	852.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC(N)=O)C2	CHEMBL4115536	=	20.48	2015	CHEMBL3886452
O=c1c(NCC(O)CO)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698851	=	1300.0	2014	CHEMBL3886144
COCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5	CHEMBL3953339	=	282.2	2016	CHEMBL3886551
N=C(N)NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695262	=	191.4	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(CC(=O)O)cc1)C2	CHEMBL4115119	=	516.58	2015	CHEMBL3886452
CCOC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL4113753	=	407.78	2016	CHEMBL3886801
COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5	CHEMBL3919846	=	186.1	2016	CHEMBL3886551
COC(=O)[C@@H]1CCCN1c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695263	=	583.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(O)CO)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109818	=	2.76	2015	CHEMBL3886452
COC(=O)[C@@H]1C[C@@H](O)CN1c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695264	=	1038.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(NC(N)=O)c1)C2	CHEMBL4111717	=	1.37	2015	CHEMBL3886452
NC(=O)C1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695265	=	481.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@@H](N)Cc1ccccc1)C2	CHEMBL4107627	=	4.39	2015	CHEMBL3886452
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](CC(=O)O)C(=O)C3	CHEMBL3935417	=	260.85	2016	CHEMBL3886801
CS(=O)(=O)NC1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695266	=	378.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(NCC(=O)O)c1)C2	CHEMBL4107681	=	9.8	2015	CHEMBL3886452
O=c1c(NC2CCNCC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3695267	=	67.5	2014	CHEMBL3886144
COc1ccc2c3c1O[C@H]1[C@@]4(c5ccccc5)CC[C@@]5(C[C@@H]4COCc4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315	CHEMBL4110146	=	1.07	2015	CHEMBL3886452
O=C(O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL3890527	=	0.97	2016	CHEMBL3886801
CNC1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3959941	=	1170.0	2016	CHEMBL3886853
NC(=O)CNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695268	=	354.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cc3nn[nH]n3)cc1)C2	CHEMBL4111263	=	180.85	2015	CHEMBL3886452
NC(=O)[C@H](CO)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695269	=	1282.6	2014	CHEMBL3886144
COc1ccc(Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)cn1	CHEMBL3695270	=	46.34	2014	CHEMBL3886144
CCCc1cc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(C)[C@@H]4C6)on1	CHEMBL4107537	=	16.18	2015	CHEMBL3886452
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CC(CC(=O)O)(CC(=O)O)C(=O)C3	CHEMBL4110693	>	20000.0	2016	CHEMBL3886801
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3935944	=	1160.0	2016	CHEMBL3886853
CC(=O)N[C@@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1	CHEMBL3695271	=	222.01	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CCC(=O)O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4114011	=	64.53	2015	CHEMBL3886452
O=c1c(N2CCc3ccccc32)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3695272	=	375.0	2014	CHEMBL3886144
O=C(O)CC1(CC(=O)O)C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL4107030	=	3410.66	2016	CHEMBL3886801
N[C@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1	CHEMBL3695273	=	57.3	2014	CHEMBL3886144
CN(C)C1(c2ccccc2)CCC(O)(c2ccccc2)CC1	CHEMBL3924824	=	2240.0	2016	CHEMBL3886853
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC(=O)O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4114882	=	29.43	2015	CHEMBL3886452
NC(=O)[C@@H]1CCCN1c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695276	=	611.9	2014	CHEMBL3886144
O=c1c(N2CCc3ccccc3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3695277	=	544.2	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC(N)=O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4106487	=	16.03	2015	CHEMBL3886452
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](CC(=O)N[C@@H](C)C(=O)O)C(=O)C3	CHEMBL3913034	>	20000.0	2016	CHEMBL3886801
CN(C)C1(Cc2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3951213	=	3745.0	2016	CHEMBL3886853
COC(=O)c1ccc2c(c1)CN(c1nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c1=O)CC2	CHEMBL3695278	=	301.0	2014	CHEMBL3886144
O=c1ccc(Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)c[nH]1	CHEMBL3695279	=	805.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCC(=O)O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109778	=	19.8	2015	CHEMBL3886452
COC(=O)C(CO)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695280	=	191.0	2014	CHEMBL3886144
C[C@H](NC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O)C(=O)O	CHEMBL3923032	=	190.65	2016	CHEMBL3886801
Cc1ccc(C2(N(C)C)CCC(O)(c3ccccc3)CC2)cc1	CHEMBL3900292	=	1460.0	2016	CHEMBL3886853
NC(=O)CCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695281	=	731.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3262089	=	0.49	2016	CHEMBL3886987
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCc5nn[nH]n5)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109142	=	32.67	2015	CHEMBL3886452
CC(=O)N1CCC(Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695283	=	971.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCC(N)=O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109061	=	0.29	2015	CHEMBL3886452
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)C3	CHEMBL4111713	>	20000.0	2016	CHEMBL3886801
CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3262090	=	4.4	2016	CHEMBL3886987
N[C@@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1	CHEMBL3695285	=	22.0	2014	CHEMBL3886144
O=c1c(N2CCC(O)CC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3695286	=	712.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C2	CHEMBL4110163	=	20.61	2015	CHEMBL3886452
O=C(O)[C@@H]1CCCN1C(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL4110715	=	128.06	2016	CHEMBL3886801
O=c1c(NC[C@@H](O)CO)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3695288	=	1195.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(CC(O)CO)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4114584	=	10.06	2015	CHEMBL3886452
O=c1c(NC[C@H](O)CO)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698750	=	929.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(NS(C)(=O)=O)c1)C2	CHEMBL4110967	=	0.7	2015	CHEMBL3886452
CC(C)c1ccccc1Nc1ncnc2c1ncn2[C@H]1OC(CO)C(O)C1O	CHEMBL95302	=	0.08	2016	CHEMBL3886987
O=C(O)[C@H](CO)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698751	=	544.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(C)(C)OCc1ccccc1)C2	CHEMBL4112287	=	0.93	2015	CHEMBL3886452
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)C3	CHEMBL3933752	=	15905.72	2016	CHEMBL3886801
CCOC(=O)CNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698752	=	379.0	2014	CHEMBL3886144
CO[C@@]12C=C[C@]3(C[C@@]1(C)[C@H](O)c1ccccc1)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5	CHEMBL3935546	=	3.02	2016	CHEMBL3886987
CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3262093	=	3.84	2016	CHEMBL3886987
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(C(=N)N)c1)C2	CHEMBL4110056	=	2.86	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CS(=O)(=O)Cc1ccccc1)C2	CHEMBL4111594	=	1.39	2015	CHEMBL3886452
CC(C)C[C@H](NC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O)C(=O)O	CHEMBL3906641	=	145.53	2016	CHEMBL3886801
NCC(O)CNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698753	=	175.0	2014	CHEMBL3886144
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)C1[C@@H](O)[C@H](OCc1ccccc1)C(=O)C3	CHEMBL4115581	=	249.2	2016	CHEMBL3886801
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cc(C)cc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3262367	=	0.1	2016	CHEMBL3886987
CC(=O)N[C@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1	CHEMBL3698754	=	457.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC(O)CO)C2	CHEMBL4113221	=	1.57	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3262363	=	0.16	2016	CHEMBL3886987
NC(=O)C1CCCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1	CHEMBL3698755	=	510.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109954	=	0.07	2015	CHEMBL3886452
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](CCO)C(=O)C3	CHEMBL3922780	=	394.2	2016	CHEMBL3886801
CCOC(=O)CN(C)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698756	=	810.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(-c5nn[nH]n5)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4108808	=	5.02	2015	CHEMBL3886452
NC(=O)CNc1nc2ccccc2n(C2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1=O	CHEMBL3698759	=	4359.0	2014	CHEMBL3886144
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](CCOCc1ccccc1)C(=O)C3	CHEMBL4106563	=	65.3	2016	CHEMBL3886801
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O	CHEMBL266314	=	0.04	2016	CHEMBL3886987
CN(CC(O)CO)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698760	=	1149.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(=O)O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4114523	=	1.58	2015	CHEMBL3886452
CS(=O)(=O)N[C@@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1	CHEMBL3698761	=	587.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(NC(C)=O)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4112241	=	0.05	2015	CHEMBL3886452
COCC[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL3932459	=	324.4	2016	CHEMBL3886801
O=c1c(NC(CO)CO)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698762	=	666.0	2014	CHEMBL3886144
COC(=O)COc1cccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(O)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)c1	CHEMBL4110449	=	0.2	2015	CHEMBL3886452
O=c1c(N2CC[C@H](O)C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698763	=	1486.0	2014	CHEMBL3886144
CO[C@@]12CC[C@]3(C[C@@]1(C)[C@@H](O)c1ccccc1)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5	CHEMBL3907014	=	0.04	2016	CHEMBL3886987
COc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698764	=	161.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(NC(=O)c4ccccc4)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4115153	=	0.15	2015	CHEMBL3886452
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1C[C@@H](C(C)C)C(=O)C3	CHEMBL3976681	=	82.9	2016	CHEMBL3886801
CCOC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698852	=	141.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccc(C(N)=O)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109154	=	0.014	2015	CHEMBL3886452
O=C(O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698853	=	1034.0	2014	CHEMBL3886144
CO[C@@]12C=C[C@]3(C[C@@]1(C)[C@@H](O)c1ccc(F)cc1)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5	CHEMBL3974294	=	0.05	2016	CHEMBL3886987
CC(C)(C)OC(=O)N1CC2CN(C(=O)c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1	CHEMBL3698854	=	23.4	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4106746	=	0.1	2015	CHEMBL3886452
CC(C)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL3948713	=	0.32	2016	CHEMBL3886801
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698765	=	630.0	2014	CHEMBL3886144
NC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698768	=	418.0	2014	CHEMBL3886144
CC(C)[C@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL4111936	=	0.33	2016	CHEMBL3886801
CNC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698769	=	618.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@H](C)N)C2	CHEMBL3930597	=	6.63	2015	CHEMBL3886452
O=C(NCC(O)CO)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698770	=	994.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@@H](N)CO)C2	CHEMBL4110981	=	26.28	2015	CHEMBL3886452
COc1ccc(NC(=O)c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)cn1	CHEMBL3698771	=	132.0	2014	CHEMBL3886144
CN(C)C(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698772	=	669.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@@H](N)C(C)O)C2	CHEMBL4108290	=	1.02	2015	CHEMBL3886452
O=C(Nc1ccc(=O)[nH]c1)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698773	=	391.0	2014	CHEMBL3886144
CONC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698774	=	586.0	2014	CHEMBL3886144
O=C(NOCc1ccccc1)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698775	=	245.0	2014	CHEMBL3886144
CC[C@H](C)[C@H](N)C(=O)OC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5	CHEMBL3908063	=	0.73	2015	CHEMBL3886452
O=C1CNc2ccccc2N1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698856	=	182.0	2014	CHEMBL3886144
O=C1CN(C2CCN(C3CCCCCCC3)CC2)c2ccccc2N1	CHEMBL3698857	=	83.5	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNC(=O)[C@H](C)N)C2	CHEMBL3965826	=	13.8	2015	CHEMBL3886452
N#Cc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698776	=	536.0	2014	CHEMBL3886144
O=c1c(NC[C@@H](O)CO)nc2ccccc2n1C1CCN(C23CC4CC(CC(C4)C2)C3)CC1	CHEMBL3698777	=	4490.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@@H](N)CC(C)C)C2	CHEMBL4107821	=	1.16	2015	CHEMBL3886452
NC(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698778	=	253.0	2014	CHEMBL3886144
O=c1c(NCC(O)CO)nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1	CHEMBL3695217	=	224.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@@H](N)CCC(N)=O)C2	CHEMBL4113588	=	12.67	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4115222	=	0.07	2015	CHEMBL3886452
O=c1c(N2CC[C@@H](O)C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698779	=	688.0	2014	CHEMBL3886144
NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695218	=	154.0	2014	CHEMBL3886144
O=C(NO)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698781	=	2728.0	2014	CHEMBL3886144
CC[C@H](C)[C@H](N)C(=O)OC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5	CHEMBL3927136	=	0.06	2015	CHEMBL3886452
O=c1c(N2CC3CNCC3C2)nc2ncccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698858	=	130.0	2014	CHEMBL3886144
O=c1c(NC[C@@H](O)CO)nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1	CHEMBL3698782	=	156.0	2014	CHEMBL3886144
NC(=O)CNc1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698783	=	4330.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@H](C)N)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3939745	=	0.14	2015	CHEMBL3886452
O=C(O)c1nc2ccc(F)cc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698785	=	501.0	2014	CHEMBL3886144
O=C(O)CN1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3698786	=	220.0	2014	CHEMBL3886144
O=C(O)c1cccc(CNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)c1	CHEMBL3698787	=	780.0	2014	CHEMBL3886144
CCOC(=O)CC[C@H]1[C@H](COCc2ccccc2)[C@]2(OC)CC[C@]13[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3969293	=	8.33	2015	CHEMBL3886452
O=C(O)C1CCCN1C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698788	=	350.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)[C@@H]2CC#N	CHEMBL4114384	=	6.75	2015	CHEMBL3886452
CN(CC(=O)O)C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698789	=	478.0	2014	CHEMBL3886144
CC(C)(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O	CHEMBL3698790	=	144.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)[C@@H]2CCC(=O)O	CHEMBL3956140	=	19.26	2015	CHEMBL3886452
CSCCC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O	CHEMBL3698791	=	210.0	2014	CHEMBL3886144
O=C(O)CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O	CHEMBL3698792	=	229.0	2014	CHEMBL3886144
CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(OCC(=O)O)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4106873	=	1.11	2015	CHEMBL3886452
O=C(N[C@H](C(=O)O)c1ccccc1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698793	=	49.3	2014	CHEMBL3886144
CNC(=O)Nc1cccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(O)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)c1	CHEMBL4112294	=	0.11	2015	CHEMBL3886452
CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O	CHEMBL3698794	=	172.0	2014	CHEMBL3886144
CC(C)CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O	CHEMBL3698795	=	35.3	2014	CHEMBL3886144
CCOC(=O)CC[C@H]1[C@H](COCc2ccccc2)[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5	CHEMBL3930729	=	2.55	2015	CHEMBL3886452
O=C(O)c1ccc(CNC(=O)c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cc1	CHEMBL3698796	=	909.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(NC(C)=O)cc1)C2	CHEMBL4106647	=	38.44	2015	CHEMBL3886452
O=C(NCc1nn[nH]n1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698798	=	1720.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(Cc3nn[nH]n3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4113890	=	43.67	2015	CHEMBL3886452
O=C(O)c1ccc(CNC(=O)c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)nc1	CHEMBL3698799	=	835.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(CC(=O)O)c1)C2	CHEMBL4112393	=	87.27	2015	CHEMBL3886452
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC(CC2C4)C3)c1=O	CHEMBL3698801	=	3090.0	2014	CHEMBL3886144
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(O)CO)cc1)C2	CHEMBL4109220	=	2.75	2015	CHEMBL3886452
CCC(C#CC(C)(C)C)N1[C@H]2CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2	CHEMBL3698804	>	20000.0	2014	CHEMBL3886144
CCOC(=O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(=O)OCC	CHEMBL3698807	=	16.2	2014	CHEMBL3886144
O=C(O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(=O)O	CHEMBL3698808	=	672.5	2014	CHEMBL3886144
CN(C)C1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3698809	=	102.0	2014	CHEMBL3886144
CCOC(=O)C1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(=O)OCC	CHEMBL3698810	=	31.2	2014	CHEMBL3886144
CC1(N2[C@H]3CCC[C@@H]2C[C@H](n2c(=O)c(C(=O)O)nc4ccccc42)C3)CCCCCCC1	CHEMBL3698813	=	5154.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2/C=C\CCCCC2)c1=O	CHEMBL3698814	=	365.0	2014	CHEMBL3886144
O=C(N[C@H](C(=O)O)c1ccccc1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698816	=	63.4	2014	CHEMBL3886144
CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C(C)CCC(C)C)c1=O	CHEMBL3698817	=	162.0	2014	CHEMBL3886144
CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C(C)CC(C)C)c1=O	CHEMBL3698818	=	85.4	2014	CHEMBL3886144
CC(C)CCC(C)N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2	CHEMBL3698819	=	1582.0	2014	CHEMBL3886144
CC(C)CC(C)N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2	CHEMBL3698820	=	523.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O	CHEMBL3647961	=	2889.0	2014	CHEMBL3886144
CN(CC(=O)O)[C@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CCC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3698821	=	589.0	2014	CHEMBL3886144
CCOC(=O)c1nc2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C/C=C2\CCC3CC2C3(C)C)c1=O	CHEMBL3984664	=	20.6	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CCC(CC2)C3)c1=O	CHEMBL3698823	=	3891.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O	CHEMBL3647963	=	76.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O	CHEMBL3647960	=	640.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCCC[C@H](C2)N3C2/C=C\CCCCC2)c1=O	CHEMBL3698825	=	1756.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647959	=	2691.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647959	=	6143.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2C3CC4CC(C3)CC2C4)c1=O	CHEMBL3698826	=	10240.0	2014	CHEMBL3886144
CC1(C)[C@H]2CC[C@@H](CCN3[C@H]4CC[C@@H]3C[C@H](n3c(=O)c(C(=O)O)nc5ccccc53)C4)[C@@H]1C2	CHEMBL3698827	=	63.0	2014	CHEMBL3886144
CC(C)CC(C)N1[C@H]2CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2	CHEMBL3698828	=	480.5	2014	CHEMBL3886144