canonical_smiles	compound_chembl_id	standard_relation	standard_value	publication_year	document_chembl_id
CC(C)S(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3935554	=	0.102	2016	CHEMBL3886531
CNC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4109413	=	0.16	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOC[C@H]3CO)nc3c2CCN3C2CC(F)(F)C2)cn1	CHEMBL4112313	=	118.15	2016	CHEMBL3886531
CC(C)(N)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3932221	=	0.023	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)C(C)(C)N)C1)CC2	CHEMBL3956275	=	0.024	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C2CNCC2=O)C1	CHEMBL3915369	=	0.096	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C2CCNC2=O)C1	CHEMBL3985151	=	0.091	2016	CHEMBL3886531
CC1(C)CN=C(N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)O1	CHEMBL3924367	=	0.019	2016	CHEMBL3886531
CC1(C)COC(N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)=N1	CHEMBL3899861	<	0.018	2016	CHEMBL3886531
CC(C)(N)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3932221	<	0.018	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CC(F)(F)C2)cn1	CHEMBL3910021	=	0.211	2016	CHEMBL3886531
CS(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3930726	=	0.153	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCC(F)(F)C2)cn1	CHEMBL3922217	=	0.73	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@@H]2CCC(F)(F)C2)cn1	CHEMBL4109972	=	0.311	2016	CHEMBL3886531
CNS(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3919768	=	0.124	2016	CHEMBL3886531
CNS(=O)(=O)N(C)[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3934212	=	0.187	2016	CHEMBL3886531
CNS(=O)(=O)N(C)[C@H]1C[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3978972	=	0.465	2016	CHEMBL3886531
N#C[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3967954	=	0.122	2016	CHEMBL3886531
COC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3895035	=	0.235	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CN(S(N)(=O)=O)C2)cn1	CHEMBL3917700	=	0.129	2016	CHEMBL3886531
CS(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3901312	=	0.303	2016	CHEMBL3886531
CC(=O)N1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)[C@H](F)C1	CHEMBL4107311	=	2.441	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2	CHEMBL3964976	=	0.182	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1CCN(S(C)(=O)=O)C1)CC2	CHEMBL3914245	=	0.257	2016	CHEMBL3886531
CN(C)S(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3891719	=	0.1	2016	CHEMBL3886531
CNS(=O)(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3892933	=	0.239	2016	CHEMBL3886531
CNS(=O)(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3892933	=	0.376	2016	CHEMBL3886531
CS(=O)(=O)N1CCC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4109394	=	0.603	2016	CHEMBL3886531
CNS(=O)(=O)O[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3939544	=	0.078	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1CCN(S(N)(=O)=O)C1)CC2	CHEMBL3984556	=	0.132	2016	CHEMBL3886531
CCS(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3905945	=	0.093	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCN(S(=O)(=O)C3CC3)C2)cn1	CHEMBL3913698	=	0.067	2016	CHEMBL3886531
CNS(=O)(=O)O[C@H]1C[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3901222	=	0.079	2016	CHEMBL3886531
CS(=O)(=O)N[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3956807	=	0.157	2016	CHEMBL3886531
CC(C)S(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3925835	=	0.064	2016	CHEMBL3886531
CCS(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3920433	=	0.122	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CN(S(=O)(=O)C3CC3)C2)cn1	CHEMBL3933029	=	0.118	2016	CHEMBL3886531
CC(C)S(=O)(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4111341	=	0.151	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(C)(=O)=O)C1)CC2	CHEMBL3981488	=	0.289	2016	CHEMBL3886531
CCS(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3956025	=	0.105	2016	CHEMBL3886531
CNS(=O)(=O)N1C[C@@H](OC)[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3945841	=	0.179	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(=O)(=O)C3CC3)C1)CC2	CHEMBL3917955	=	0.03	2016	CHEMBL3886531
CCS(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3954541	=	0.059	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(=O)(=O)N(C)C)C1)CC2	CHEMBL3930435	=	0.03	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1CCN(S(=O)(=O)C3CC3)C1)CC2	CHEMBL3931471	=	0.056	2016	CHEMBL3886531
CNS(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3903491	=	0.064	2016	CHEMBL3886531
COC(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3940507	=	0.069	2016	CHEMBL3886531
CCOC(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3980124	=	0.087	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(N)(=O)=O)C1)CC2	CHEMBL3951197	=	0.219	2016	CHEMBL3886531
CNS(=O)(=O)N1C[C@@H](O)[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3947473	=	0.126	2016	CHEMBL3886531
CC(C)S(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3901702	=	0.044	2016	CHEMBL3886531
CC(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	CHEMBL3933182	=	0.15	2016	CHEMBL3886531
CC(=O)N1CC(OC(=O)N2CC[C@@H](N3CCc4c(-c5cnc(N)nc5)nc(N5CCOC[C@@H]5C)nc43)C2)C1	CHEMBL3911814	=	0.099	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1CCN(C(=O)NC(C)(C)C)C1)CC2	CHEMBL3965152	=	0.318	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(C(=O)OC(C)(C)C)C1)CC2	CHEMBL3929855	=	0.471	2016	CHEMBL3886531
CNC(=O)COC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3942892	=	0.159	2016	CHEMBL3886531
CNC(=O)COC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3981149	=	0.262	2016	CHEMBL3886531
CNS(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@H]4C)nc32)C1	CHEMBL4107706	=	3.251	2016	CHEMBL3886531
C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1CCN(S(C)(=O)=O)C1)CC2	CHEMBL4110381	=	4.011	2016	CHEMBL3886531
CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(S(C)(=O)=O)C1	CHEMBL3984086	=	0.015	2016	CHEMBL3886531
CNS(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3920745	=	0.064	2016	CHEMBL3886531
CNS(=O)(=O)NCCOC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3948539	=	0.094	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(S(C)(=O)=O)C1	CHEMBL3908620	=	0.027	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(S(C)(=O)=O)C1	CHEMBL4111051	=	0.044	2016	CHEMBL3886531
CN(C)C(=O)COC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3984150	=	0.107	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(C(=O)OCC(=O)N(C)C)C1)CC2	CHEMBL3962594	=	0.103	2016	CHEMBL3886531
COCCCS(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3945736	=	0.105	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(=O)(=O)c3cn(C)cn3)C1)CC2	CHEMBL3973567	=	0.286	2016	CHEMBL3886531
COCCS(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3956174	=	0.116	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1CCN(C(=O)OC3COC3)C1)CC2	CHEMBL3984823	=	0.088	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C(C)(C)C)CC2	CHEMBL3906027	=	0.173	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C23CC(C2)C3)cn1	CHEMBL3945448	=	0.2	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(=O)(=O)CC3CC3)C1)CC2	CHEMBL3913087	=	0.097	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(=O)(=O)c3cnn(C)c3)C1)CC2	CHEMBL3950733	=	0.221	2016	CHEMBL3886531
COCCCS(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3918556	=	0.202	2016	CHEMBL3886531
CNS(=O)(=O)N1CCC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3890513	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(=O)(=O)C(F)(F)F)C1)CC2	CHEMBL3934236	=	0.188	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CCN(S(C)(=O)=O)C1)CC2	CHEMBL3903031	=	0.03	2016	CHEMBL3886531
COC(=O)C(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	CHEMBL3937669	=	0.449	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(P(C)(C)=O)C1)CC2	CHEMBL3909727	=	0.28	2016	CHEMBL3886531
C[C@H](O)COC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3905870	=	0.23	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1CCN(P(C)(C)=O)C1)CC2	CHEMBL3905755	=	0.297	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CN(S(=O)(=O)CC3CC3)C2)cn1	CHEMBL3938298	=	0.129	2016	CHEMBL3886531
COCCS(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3967852	=	0.124	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOC[C@@H]3CO)nc3c2CCN3C2CC(F)(F)C2)cn1	CHEMBL3895769	=	2.745	2016	CHEMBL3886531
CNS(=O)(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4112691	=	0.029	2016	CHEMBL3886531
CNS(=O)(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3970592	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]1(C)CCN(S(C)(=O)=O)C1)CC2	CHEMBL3922727	=	0.03	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(S(C)(=O)=O)C1)CC2	CHEMBL3902135	=	0.023	2016	CHEMBL3886531
CC(C)C(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	CHEMBL3896083	=	0.462	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@H]1CCN(P(C)(C)=O)C1)CC2	CHEMBL3971539	=	0.615	2016	CHEMBL3886531
Cn1cc(S(=O)(=O)N2CC(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)cn1	CHEMBL3977227	=	0.125	2016	CHEMBL3886531
Cn1cnc(S(=O)(=O)N2CC(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)c1	CHEMBL3966298	=	0.344	2016	CHEMBL3886531
CP(C)(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4113182	=	1.759	2016	CHEMBL3886531
CP(C)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3907509	=	0.296	2016	CHEMBL3886531
C[C@H](O)COC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3918354	=	0.357	2016	CHEMBL3886531
CC(C)(CO)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	CHEMBL3938468	=	0.393	2016	CHEMBL3886531
CCC(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	CHEMBL3909423	=	0.647	2016	CHEMBL3886531
C[C@@H](O)COC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4113342	=	0.182	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(C(=O)OC[C@@H](C)O)C1)CC2	CHEMBL3986452	=	0.274	2016	CHEMBL3886531
CCCC(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	CHEMBL3902224	=	0.839	2016	CHEMBL3886531
COCC(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	CHEMBL3973252	=	0.642	2016	CHEMBL3886531
CP(C)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3922206	=	1.162	2016	CHEMBL3886531
CNS(=O)(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3978203	=	0.04	2016	CHEMBL3886531
CC(C)(CNS(C)(=O)=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	CHEMBL3967124	=	0.881	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(S(N)(=O)=O)C1	CHEMBL4114331	=	0.053	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(S(N)(=O)=O)C1	CHEMBL3975616	=	0.027	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3901131	<	0.018	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4111185	=	0.166	2016	CHEMBL3886531
CCS(=O)(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3907741	=	0.024	2016	CHEMBL3886531
CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CN(S(=O)(=O)C2CC2)C1	CHEMBL3898044	=	0.04	2016	CHEMBL3886531
CC(C)S(=O)(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3926126	=	0.024	2016	CHEMBL3886531
CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CNC1	CHEMBL3910639	=	0.151	2016	CHEMBL3886531
CCOC(=O)C(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOC[C@@H]3C)nc21	CHEMBL3905079	=	0.909	2016	CHEMBL3886531
CC(=O)NCC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3981687	=	1.4	2016	CHEMBL3886531
COCCC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3925097	=	1.037	2016	CHEMBL3886531
CCS(=O)(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3986867	=	0.032	2016	CHEMBL3886531
CC(C)S(=O)(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3920651	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CN(S(=O)(=O)C3CC3)C1)CC2	CHEMBL3933148	=	0.021	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CN(S(C)(=O)=O)C1)CC2	CHEMBL3959090	=	0.031	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)C1)CC2	CHEMBL3986953	=	0.1	2016	CHEMBL3886531
CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CN(S(N)(=O)=O)C1	CHEMBL3895252	=	0.062	2016	CHEMBL3886531
CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CN(S(C)(=O)=O)C1	CHEMBL3932887	=	0.045	2016	CHEMBL3886531
CC(=O)NCC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3946149	=	0.898	2016	CHEMBL3886531
CC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3949404	=	0.078	2016	CHEMBL3886531
CC(C)C(=O)NCC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3926460	=	0.534	2016	CHEMBL3886531
COC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3963659	=	0.03	2016	CHEMBL3886531
COC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4114401	=	0.128	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNC1	CHEMBL4107615	=	0.476	2016	CHEMBL3886531
CNC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3938876	=	0.124	2016	CHEMBL3886531
CN(CC(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21)S(C)(=O)=O	CHEMBL3939820	=	0.191	2016	CHEMBL3886531
CC(C)C(=O)NCC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3897025	=	0.751	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CN(S(N)(=O)=O)C1)CC2	CHEMBL3965247	=	0.037	2016	CHEMBL3886531
CNS(=O)(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3945068	=	0.053	2016	CHEMBL3886531
COCCC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3948476	=	1.291	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(=O)(=O)C3CNC3)C1)CC2	CHEMBL3980750	=	0.101	2016	CHEMBL3886531
CC(=O)N1CC(S(=O)(=O)N2CC(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOC[C@@H]5C)nc43)C2)C1	CHEMBL3943154	=	0.393	2016	CHEMBL3886531
CC(C)S(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@H]4C)nc32)C1	CHEMBL4111222	=	2.296	2016	CHEMBL3886531
C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCNC1)CC2	CHEMBL4112043	=	4.151	2016	CHEMBL3886531
C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]1(C)CCNC1)CC2	CHEMBL4111840	=	7.437	2016	CHEMBL3886531
C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]1(C)CCN(C(=O)C(C)(C)C)C1)CC2	CHEMBL4110046	=	1.04	2016	CHEMBL3886531
C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CCN(C(=O)OC(C)(C)C)C1)CC2	CHEMBL4111095	=	0.164	2016	CHEMBL3886531
C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)CC2	CHEMBL4112435	=	0.055	2016	CHEMBL3886531
C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]1(C)CCN(C(=O)OC(C)(C)C)C1)CC2	CHEMBL4112356	=	6.996	2016	CHEMBL3886531
C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(S(C)(=O)=O)C1)CC2	CHEMBL4108266	=	1.493	2016	CHEMBL3886531
C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]1(C)CCN(S(C)(=O)=O)C1)CC2	CHEMBL4111465	=	4.263	2016	CHEMBL3886531
CC(C)(N)C(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3896303	<	0.018	2016	CHEMBL3886531
CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4111630	=	0.509	2016	CHEMBL3886531
CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4111630	=	0.693	2016	CHEMBL3886531
CC1(C(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)CC1	CHEMBL3926068	<	0.018	2016	CHEMBL3886531
CC1(C(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)CC1	CHEMBL3926068	=	0.025	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3901131	<	0.018	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3901131	<	0.018	2016	CHEMBL3886531
CC(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3928850	=	0.093	2016	CHEMBL3886531
CC(C)(O)C(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3964673	=	1.174	2016	CHEMBL3886531
CC(C)(O)C(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3935486	=	0.158	2016	CHEMBL3886531
CC(C)(N)C(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3962930	=	0.165	2016	CHEMBL3886531
CCC(=O)NCC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3946195	=	0.598	2016	CHEMBL3886531
CC1(C(=O)N2CC(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)CC1	CHEMBL3918294	=	4.212	2016	CHEMBL3886531
CC1(C(=O)N2CC(C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)CC1	CHEMBL3954878	=	0.06	2016	CHEMBL3886531
COC(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3930784	=	0.055	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3948496	=	0.212	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3964422	=	0.019	2016	CHEMBL3886531
CNC(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3940853	=	0.12	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CN(S(=O)(=O)C3CCC3)C2)cn1	CHEMBL3909372	=	1.652	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CN(S(=O)(=O)N3CCC3)C2)cn1	CHEMBL3931555	=	0.158	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNC1	CHEMBL3982652	=	0.16	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@@H]2CNC[C@@H]2F)cn1	CHEMBL3957091	=	1.893	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CNC[C@H]2F)cn1	CHEMBL3979672	=	1.168	2016	CHEMBL3886531
CC[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNC1	CHEMBL3963311	=	1.131	2016	CHEMBL3886531
CC[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNC1	CHEMBL3982673	=	0.955	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNC1=O	CHEMBL3955240	=	31.79	2016	CHEMBL3886531
CC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3949404	=	0.139	2016	CHEMBL3886531
CCC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3922898	=	0.03	2016	CHEMBL3886531
CCC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3895760	=	0.143	2016	CHEMBL3886531
CC(C)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3920965	<	0.018	2016	CHEMBL3886531
CC(C)C(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3932472	=	0.122	2016	CHEMBL3886531
CC(C)(C)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3982838	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)CC#N)C1	CHEMBL3962818	=	0.048	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)CC#N)C1	CHEMBL3980989	=	0.139	2016	CHEMBL3886531
C[C@@H](O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3957451	=	0.041	2016	CHEMBL3886531
C[C@H](O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3981671	=	0.1	2016	CHEMBL3886531
C[C@@H](O)C(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3902787	=	0.222	2016	CHEMBL3886531
C[C@H](O)C(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3898207	=	0.074	2016	CHEMBL3886531
CC(C)[C@@H](O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3925423	=	0.016	2016	CHEMBL3886531
CC(C)[C@H](O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3958509	=	0.022	2016	CHEMBL3886531
CCC(C)(O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3922575	=	0.087	2016	CHEMBL3886531
CCC(C)(O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3922575	=	0.145	2016	CHEMBL3886531
CC(C)(O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3954652	=	0.03	2016	CHEMBL3886531
CC(C)(O)CN1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3939529	=	0.182	2016	CHEMBL3886531
CC(C)(CO)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3965848	=	0.034	2016	CHEMBL3886531
COC(C)(C)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3912621	<	0.018	2016	CHEMBL3886531
COCC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3940617	=	0.027	2016	CHEMBL3886531
COCC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3918070	=	0.154	2016	CHEMBL3886531
CC(C)(N)CC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3949378	=	0.024	2016	CHEMBL3886531
CC(C)(N)C(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3967807	=	4.04	2016	CHEMBL3886531
CC(C)(N)C(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3939095	=	0.208	2016	CHEMBL3886531
CC[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C(C)(C)N)C1	CHEMBL3910940	=	0.368	2016	CHEMBL3886531
CC[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C(C)(C)N)C1	CHEMBL3938879	=	0.089	2016	CHEMBL3886531
CC(C)[C@@H](N)C(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3923363	=	5.81	2016	CHEMBL3886531
CC(C)[C@@H](N)C(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3947674	=	0.462	2016	CHEMBL3886531
CC(C)[C@H](N)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3967514	=	0.141	2016	CHEMBL3886531
CC(C)(N)C(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3896303	=	0.075	2016	CHEMBL3886531
CCC(C)(N)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3972849	<	0.018	2016	CHEMBL3886531
CCC(C)(N)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3972849	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@H](N)CF)C1	CHEMBL3944371	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@H](N)CF)C1	CHEMBL3973813	=	0.086	2016	CHEMBL3886531
CC(N)(CF)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3954043	<	0.018	2016	CHEMBL3886531
CC(N)(CF)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3954043	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@H](N)C2CC2)C1	CHEMBL3929008	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@H](N)C2CC2)C1	CHEMBL3917427	=	0.019	2016	CHEMBL3886531
CNCC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3940698	<	0.018	2016	CHEMBL3886531
CN(C)CC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3916199	<	0.018	2016	CHEMBL3886531
CN(C)CC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3959302	=	0.669	2016	CHEMBL3886531
C[C@H](C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1)N(C)C	CHEMBL3931818	=	0.073	2016	CHEMBL3886531
CC(C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1)N(C)C	CHEMBL3961583	=	0.038	2016	CHEMBL3886531
CNC(C)(C)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3930628	=	0.025	2016	CHEMBL3886531
CN(C)C(C)(C)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3928288	<	0.018	2016	CHEMBL3886531
CC(C)(CN)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3890372	=	0.036	2016	CHEMBL3886531
CNCC(C)(C)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3894737	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C(F)(F)CN)C1	CHEMBL3950602	<	0.018	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)CC(F)(F)F)C1	CHEMBL3978796	=	0.126	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)CC(F)(F)F)C1	CHEMBL3964724	=	0.056	2016	CHEMBL3886531
CC(C)[C@@H](N)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3967130	=	0.022	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@](C)(N)C(F)(F)F)C1	CHEMBL3895858	=	0.054	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@](C)(N)C(F)(F)F)C1	CHEMBL3907240	=	0.037	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@H](N)C(F)(F)F)C1	CHEMBL3923947	=	0.128	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@H](N)C(F)(F)F)C1	CHEMBL3961671	<	0.018	2016	CHEMBL3886531
CC(C(N)=O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3934181	<	0.018	2016	CHEMBL3886531
CC(C(N)=O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3934181	=	0.019	2016	CHEMBL3886531
CC(C(N)=O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3934181	<	0.018	2016	CHEMBL3886531
CC(C)(C(N)=O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3907228	=	0.076	2016	CHEMBL3886531
CC(C)(C(=O)O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3977802	=	2.266	2016	CHEMBL3886531
CC(C(=O)O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3916198	=	0.318	2016	CHEMBL3886531
CCOC(=O)C(C)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3891693	=	0.042	2016	CHEMBL3886531
CCOC(=O)C(C)(C)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3926365	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)CC2CC2)C1	CHEMBL3898293	<	0.018	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)CC2CC2)C1	CHEMBL3970541	=	0.198	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)CN2CCC2)C1	CHEMBL3899357	=	0.058	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C(O)C2CC2)C1	CHEMBL3975649	=	0.048	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C(O)C2CC2)C1	CHEMBL3975649	=	0.028	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2CC2)C1	CHEMBL3966977	=	0.024	2016	CHEMBL3886531
CC1(C(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)CC1	CHEMBL3926068	<	0.018	2016	CHEMBL3886531
CC1(C(=O)N2CC[C@@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)CC1	CHEMBL3942595	=	0.152	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2(F)CC2)C1	CHEMBL3922819	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@H]2C[C@@H]2F)C1	CHEMBL3929624	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@H]2C[C@H]2F)C1	CHEMBL3902540	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@H]2C[C@@H]2F)C1	CHEMBL3950868	=	0.021	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@H]2C[C@H]2F)C1	CHEMBL3907783	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@H]2CC2(F)F)C1	CHEMBL3897274	=	0.054	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@H]2CC2(F)F)C1	CHEMBL3895312	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2(O)CC2)C1	CHEMBL3961554	=	0.071	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2(CO)CC2)C1	CHEMBL3984099	=	0.08	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2(N)CC2)C1	CHEMBL3911966	=	0.234	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2CCC2)C1	CHEMBL3935372	<	0.018	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2CCC2)C1	CHEMBL3896356	=	0.141	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2(O)CCC2)C1	CHEMBL3971031	=	0.089	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2(O)CCC2)C1	CHEMBL3943222	=	0.098	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2CC(O)C2)C1	CHEMBL3969346	=	0.028	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2(N)CCC2)C1	CHEMBL3958425	=	0.125	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@H]2CCN2)C1	CHEMBL3987112	=	0.075	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2CCN2)C1	CHEMBL3949760	=	0.066	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2CNC2)C1	CHEMBL3981905	=	0.026	2016	CHEMBL3886531
C[C@@]1(C(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)CCN1	CHEMBL3944442	=	0.045	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@]2(C)CCN2)C1	CHEMBL3899734	=	0.059	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2(F)CNC2)C1	CHEMBL3979852	<	0.018	2016	CHEMBL3886531
CN1CC[C@@H]1C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3906043	=	0.078	2016	CHEMBL3886531
CN1CC[C@H]1C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3898757	=	0.049	2016	CHEMBL3886531
CN1CCC1(C)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3969964	=	0.102	2016	CHEMBL3886531
CN1CC(C(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)C1	CHEMBL3978190	=	0.037	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3952448	=	0.144	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1CCC1C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3982338	=	0.171	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)C1	CHEMBL3953634	=	0.128	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)N2CCC2)C1	CHEMBL3893367	<	0.018	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)N2CCC2)C1	CHEMBL3958884	=	0.078	2016	CHEMBL3886531
CC1(C)CN[C@@H]1C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3906569	=	0.041	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)N2CC(C#N)C2)C1	CHEMBL3921698	=	0.039	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)N2CC(C#N)C2)C1	CHEMBL3912116	=	0.262	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)N2CC(O)C2)C1	CHEMBL3940107	=	0.063	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)N2CC(O)C2)C1	CHEMBL3952408	=	0.021	2016	CHEMBL3886531
COC1CN(C(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)C1	CHEMBL3978162	<	0.018	2016	CHEMBL3886531
COC1CN(C(=O)N2CC[C@@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)C1	CHEMBL3897611	=	0.127	2016	CHEMBL3886531
CC1(O)CN(C(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)C1	CHEMBL3925697	<	0.018	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3903097	=	0.184	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@H]2CCCO2)C1	CHEMBL3934583	=	0.091	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@H]2CCCO2)C1	CHEMBL3977188	=	0.04	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@H]2CCOC2)C1	CHEMBL3906529	=	0.028	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@H]2CCOC2)C1	CHEMBL3983948	=	0.027	2016	CHEMBL3886531
CC1(C(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)CCCO1	CHEMBL3951906	=	0.043	2016	CHEMBL3886531
CC1(C(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)CCCO1	CHEMBL3951906	=	0.09	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@H]2CCCN2)C1	CHEMBL3946605	=	0.026	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@H]2CCC(=O)N2)C1	CHEMBL3900577	=	0.082	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@H]2CCC(=O)N2)C1	CHEMBL3974968	=	0.061	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2(N)CCOC2)C1	CHEMBL3902297	=	0.03	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)C2(N)CCOC2)C1	CHEMBL3902297	=	0.03	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@H]2CCCN2)C1	CHEMBL3919717	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@]2(F)CCNC2)C1	CHEMBL3985934	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@@]2(F)CCNC2)C1	CHEMBL3898366	<	0.018	2016	CHEMBL3886531
Cn1nccc1C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3969569	<	0.018	2016	CHEMBL3886531
Cc1n[nH]cc1C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3977827	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)c2cn[nH]c2)C1	CHEMBL3952034	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)c2ncc[nH]2)C1	CHEMBL3953749	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)c2cc[nH]n2)C1	CHEMBL3953215	<	0.018	2016	CHEMBL3886531
Cn1ccnc1C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3910430	=	0.084	2016	CHEMBL3886531
Cn1ccc(C(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)n1	CHEMBL3916399	=	0.022	2016	CHEMBL3886531
CNC(=N)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3906132	=	0.101	2016	CHEMBL3886531
CCNC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3976823	=	0.085	2016	CHEMBL3886531
CC(C)NC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3910082	=	0.112	2016	CHEMBL3886531
CC(C)NC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3939527	=	0.352	2016	CHEMBL3886531
CC(C)(C)NC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3925693	=	0.121	2016	CHEMBL3886531
CC(C)(C)NC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3964737	=	0.101	2016	CHEMBL3886531
C[C@@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(CC(N)=O)C1	CHEMBL3916691	=	0.411	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(CC(N)=O)C1	CHEMBL3948005	=	0.074	2016	CHEMBL3886531
CNC(=O)CN1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3922403	=	0.781	2016	CHEMBL3886531
CNC(=O)CN1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3895265	=	0.109	2016	CHEMBL3886531
CN(C)C(=O)CN1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3935290	=	0.872	2016	CHEMBL3886531
CN(C)C(=O)CN1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3984872	=	0.053	2016	CHEMBL3886531
CCOC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3923098	=	0.128	2016	CHEMBL3886531
CCOC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3898576	<	0.018	2016	CHEMBL3886531
CC(C)OC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3914115	<	0.018	2016	CHEMBL3886531
CC(C)OC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3968524	=	0.235	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1C[C@@H](F)[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3907090	=	1.085	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)[C@H](F)C1	CHEMBL3975904	=	0.168	2016	CHEMBL3886531
CC[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)OC(C)(C)C)C1	CHEMBL3899657	=	0.262	2016	CHEMBL3886531
CC[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)OC(C)(C)C)C1	CHEMBL3899657	<	0.018	2016	CHEMBL3886531
CC(C)(N)COC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3984970	<	0.018	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)OCC2CNC2)C1	CHEMBL3959759	<	0.018	2016	CHEMBL3886531
CC1(OC(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)CNC1	CHEMBL3934316	=	0.039	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)OC2CNC2)C1	CHEMBL3892442	<	0.018	2016	CHEMBL3886531
CN1CC[C@@H](OC(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)C1	CHEMBL3968664	<	0.018	2016	CHEMBL3886531
CN1CC[C@H](OC(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)C1	CHEMBL3960508	<	0.018	2016	CHEMBL3886531
CN1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3977483	=	0.32	2016	CHEMBL3886531
CN1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3906858	=	1.99	2016	CHEMBL3886531
CC(C)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3891312	=	0.601	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(CC(F)F)C1	CHEMBL3949869	=	0.071	2016	CHEMBL3886531
CC(C)(O)CN1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3916668	=	0.415	2016	CHEMBL3886531
COC(=O)C(C)(C)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3982587	=	0.445	2016	CHEMBL3886531
CC(C)(C(N)=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3946471	=	0.321	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C2CCCC2)C1	CHEMBL3918605	=	0.311	2016	CHEMBL3886531
CN1CCC(N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)C1=O	CHEMBL3983914	=	0.051	2016	CHEMBL3886531
CN1CCC(N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)C1=O	CHEMBL3983914	=	0.073	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C2CCCNC2=O)C1	CHEMBL3891540	=	0.067	2016	CHEMBL3886531
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C2CCCNC2=O)C1	CHEMBL3891540	=	0.16	2016	CHEMBL3886531
CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNCC1	CHEMBL3900546	=	0.785	2016	CHEMBL3886531
CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCCNC1	CHEMBL3974923	=	14.54	2016	CHEMBL3886531
CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCCNC1	CHEMBL3974923	=	11.74	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1CCC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1	CHEMBL3980813	=	0.024	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1CCCC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3951551	=	0.22	2016	CHEMBL3886531
CS(=O)(=O)N1CC2CC2(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3913910	=	0.132	2016	CHEMBL3886531
CS(=O)(=O)N1C[C@H]2C[C@@]2(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3946278	=	0.189	2016	CHEMBL3886531
CS(=O)(=O)N1C[C@@H]2C[C@]2(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3975595	=	0.603	2016	CHEMBL3886531
CC(C)(C)OC(=O)N1C[C@]2(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C[C@H]1C2	CHEMBL4114360	=	7.455	2016	CHEMBL3886531
CS(=O)(=O)N1C[C@]2(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C[C@H]1C2	CHEMBL4112251	=	1.514	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@H]1[C@@H]3C[C@H]1N(S(C)(=O)=O)C3)CC2	CHEMBL3889885	=	0.178	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1[C@H]3C[C@@H]1N(S(C)(=O)=O)C3)CC2	CHEMBL3955510	=	0.432	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1C[C@@H](N)C1)CC2	CHEMBL3958843	=	1.349	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1C[C@H](N)C1)CC2	CHEMBL3931334	=	0.944	2016	CHEMBL3886531
CN[C@H]1C[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3963588	=	2.125	2016	CHEMBL3886531
CN[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3926289	=	0.993	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)CC2	CHEMBL3903703	=	0.433	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)CC2	CHEMBL3942534	=	0.644	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1C[C@@H](N(C)C(=O)OC(C)(C)C)C1)CC2	CHEMBL3927974	=	0.69	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1C[C@H](N(C)C(=O)OC(C)(C)C)C1)CC2	CHEMBL3960831	=	0.294	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CNC1)CC2	CHEMBL3953022	=	0.167	2016	CHEMBL3886531
CC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3978664	=	0.595	2016	CHEMBL3886531
CC(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3959410	=	0.09	2016	CHEMBL3886531
CC(C)C(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3890333	=	0.973	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(C(=O)C(C)(C)O)C1)CC2	CHEMBL3907317	=	0.387	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CN(C(=O)C(C)(C)O)C1)CC2	CHEMBL3980933	=	0.187	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CN(C(=O)C(C)(C)N)C1)CC2	CHEMBL3898297	=	0.063	2016	CHEMBL3886531
CCC(=O)NCC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3969482	=	0.691	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(C(=O)C3(C)CC3)C1)CC2	CHEMBL3892883	=	0.159	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CN(C(=O)C3(C)CC3)C1)CC2	CHEMBL3930800	=	0.057	2016	CHEMBL3886531
COC(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3953046	=	0.047	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CN(C(=O)OC(C)(C)C)C1)CC2	CHEMBL3925371	=	0.04	2016	CHEMBL3886531
CNC(=O)N1CC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3940877	=	0.057	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(=O)(=O)C3CCC3)C1)CC2	CHEMBL3916382	=	0.169	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(=O)(=O)N3CCC3)C1)CC2	CHEMBL3901733	=	0.193	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCNC1)CC2	CHEMBL3956519	=	0.16	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]1(C)CCNC1)CC2	CHEMBL3930307	=	0.303	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]1(C)CNC[C@H]1C)CC2	CHEMBL4110987	=	0.106	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CNC[C@@H]1C)CC2	CHEMBL3923188	=	0.634	2016	CHEMBL3886531
CC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3947506	=	0.052	2016	CHEMBL3886531
CC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3910759	=	0.07	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@@H](C)O)C1)CC2	CHEMBL3938695	=	0.037	2016	CHEMBL3886531
CC(C)[C@@H](O)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3937644	=	0.044	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)C(C)(C)O)C1)CC2	CHEMBL3941022	=	0.076	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)C(C)(C)CO)C1)CC2	CHEMBL3931502	=	0.045	2016	CHEMBL3886531
C[C@H](N)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3903519	=	0.068	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@@H](C)N)C1)CC2	CHEMBL3903030	<	0.018	2016	CHEMBL3886531
CC[C@H](N)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3909056	=	0.038	2016	CHEMBL3886531
CC[C@@H](N)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3935717	=	0.026	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@@H](N)CF)C1)CC2	CHEMBL3917991	=	0.026	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@H](N)CF)C1)CC2	CHEMBL3902294	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@@H](N)C3CC3)C1)CC2	CHEMBL3930462	=	0.149	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@H](N)C3CC3)C1)CC2	CHEMBL3969015	=	0.022	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)CN(C)C)C1)CC2	CHEMBL3939448	=	0.049	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)C(C)(C)CN)C1)CC2	CHEMBL3971600	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@@](C)(N)CO)C1)CC2	CHEMBL3936406	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@](C)(N)CO)C1)CC2	CHEMBL3916193	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)C(C)(N)CO)C1)CC2	CHEMBL3943270	=	0.011	2016	CHEMBL3886531
CNC(C)(C)C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3982701	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)C(F)(F)CN)C1)CC2	CHEMBL3957400	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@@H](N)C(F)(F)F)C1)CC2	CHEMBL3974714	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@H](N)C(F)(F)F)C1)CC2	CHEMBL3907436	=	0.05	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)C3(N)CC3)C1)CC2	CHEMBL3934353	=	0.101	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)C3(CN)CC3)C1)CC2	CHEMBL3889577	=	0.061	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@@]3(C)CCN3)C1)CC2	CHEMBL3952274	=	0.046	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@]3(C)CCN3)C1)CC2	CHEMBL3981079	=	0.031	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)C3(F)CCN3)C1)CC2	CHEMBL3966793	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]1(C)CCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C1)CC2	CHEMBL3891972	=	0.056	2016	CHEMBL3886531
COC1CN(C(=O)N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOC[C@@H]5C)nc43)C2)C1	CHEMBL3938161	=	0.048	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@@H]3CCOC3)C1)CC2	CHEMBL3967740	=	0.048	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@H]3CCOC3)C1)CC2	CHEMBL3921567	=	0.064	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)[C@H]3CCCO3)C1)CC2	CHEMBL3976244	=	0.035	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)C3(N)CCOC3)C1)CC2	CHEMBL3986319	=	0.064	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)C3(N)CCOC3)C1)CC2	CHEMBL3986319	=	0.091	2016	CHEMBL3886531
CNC(=N)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3934431	=	0.109	2016	CHEMBL3886531
CNC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3894024	=	0.139	2016	CHEMBL3886531
CNC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3943411	=	0.061	2016	CHEMBL3886531
CCNC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3911992	=	0.082	2016	CHEMBL3886531
COC(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3955792	<	0.018	2016	CHEMBL3886531
COC(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3920933	=	0.135	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]1(C)CN(C(=O)OC(C)(C)C)C[C@H]1C)CC2	CHEMBL4110431	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@@H]1C)CC2	CHEMBL3943542	=	0.915	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)CC2	CHEMBL3972097	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C)C1)CC2	CHEMBL3928961	=	0.418	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C3CCNC3=O)C1)CC2	CHEMBL3926877	=	0.068	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C3CCNC3=O)C1)CC2	CHEMBL3926877	<	0.081	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CCNCC1)CC2	CHEMBL3952279	=	0.346	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CCCNC1)CC2	CHEMBL3900498	=	9.319	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CCCNC1)CC2	CHEMBL3900498	=	11.29	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CCN(C(=O)OC(C)(C)C)CC1)CC2	CHEMBL3951773	=	0.036	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CCCN(C(=O)OC(C)(C)C)C1)CC2	CHEMBL3961575	=	0.663	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CC2	CHEMBL3940176	=	0.17	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1[C@@H]3CNC[C@@H]31)CC2	CHEMBL3959894	=	6.845	2016	CHEMBL3886531
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1N1CCc2c(-c3cnc(N)nc3)nc(N3CCOC[C@@H]3C)nc21	CHEMBL3894367	=	5.209	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@H]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C)CC2	CHEMBL4113774	=	1.872	2016	CHEMBL3886531
C[C@H]1CN[C@@H](C)[C@H]1N1CCc2c(-c3cnc(N)nc3)nc(N3CCOC[C@@H]3C)nc21	CHEMBL3948853	=	4.504	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@H]1[C@H](C)CN[C@@H]1C)CC2	CHEMBL4113381	=	9.425	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3)CC2	CHEMBL3936522	<	0.018	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]13C[C@H]1CN(C(=O)OC(C)(C)C)C3)CC2	CHEMBL3958555	=	0.092	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]13CNC[C@@H]1C3)CC2	CHEMBL3899386	=	0.595	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@]13CNC[C@H]1C3)CC2	CHEMBL3922009	=	2.624	2016	CHEMBL3886531
CC(C)S(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3935554	<	0.229	2016	CHEMBL3886531
CC(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4112215	=	4.095	2016	CHEMBL3886531
CC(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3957956	=	1.13	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CC(F)(F)C2)cn1	CHEMBL3910021	=	0.307	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CCC2)cn1	CHEMBL3977067	=	6.843	2016	CHEMBL3886531
CS(=O)(=O)[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3980077	=	0.856	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCOC2)cn1	CHEMBL3893792	=	1.423	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@@H]2CCOC2)cn1	CHEMBL4112438	=	4.273	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CCOCC2)cn1	CHEMBL3921788	=	2.706	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CCC(F)(F)C2)cn1	CHEMBL3906225	=	0.528	2016	CHEMBL3886531
CS(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3930726	<	0.229	2016	CHEMBL3886531
CC(=O)N(C)[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3977896	=	5.393	2016	CHEMBL3886531
CN([C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1)S(C)(=O)=O	CHEMBL3907337	<	0.229	2016	CHEMBL3886531
CC(=O)N[C@H]1C[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3982689	=	9.696	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2C[C@H](O)C2)cn1	CHEMBL3916313	=	0.961	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCN(C(=O)CO)C2)cn1	CHEMBL3927280	<	0.229	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCN(S(N)(=O)=O)C2)cn1	CHEMBL3932328	=	0.423	2016	CHEMBL3886531
CNC(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3955322	=	1.025	2016	CHEMBL3886531
COC(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3924199	=	0.521	2016	CHEMBL3886531
CC(=O)N[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3946617	=	5.828	2016	CHEMBL3886531
C[C@H](O)C(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3918785	=	1.188	2016	CHEMBL3886531
CC(C)[C@@H](O)C(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3983528	<	0.229	2016	CHEMBL3886531
CC(C)[C@H](O)C(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3945585	=	0.841	2016	CHEMBL3886531
CC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3929396	=	5.195	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCC(F)(F)C2)cn1	CHEMBL3922217	=	0.469	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@@H]2CCC(F)(F)C2)cn1	CHEMBL4109972	=	0.393	2016	CHEMBL3886531
CO[C@H]1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1	CHEMBL3959582	=	19.03	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CCCOC2)cn1	CHEMBL3968317	=	7.189	2016	CHEMBL3886531
CNS(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3919768	=	0.228	2016	CHEMBL3886531
C[C@]1(O)C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3930299	=	0.738	2016	CHEMBL3886531
CO[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3903143	=	0.416	2016	CHEMBL3886531
C[C@@H](O)C(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4110793	=	1.376	2016	CHEMBL3886531
CC(=O)N[C@H]1C(C)(C)[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1(C)C	CHEMBL3915118	=	7.677	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCN(C=O)C2)cn1	CHEMBL3976838	=	1.31	2016	CHEMBL3886531
C[C@]1(O)C[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3965067	=	1.965	2016	CHEMBL3886531
CC(=O)N(C)C1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4113839	=	9.034	2016	CHEMBL3886531
CNS(=O)(=O)N(C)[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3934212	=	0.412	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCCOC2)cn1	CHEMBL3918692	=	3.32	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@@H]2CCCOC2)cn1	CHEMBL4109553	=	3.543	2016	CHEMBL3886531
CN([C@H]1C[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1)S(C)(=O)=O	CHEMBL3955349	=	0.722	2016	CHEMBL3886531
CC(=O)N[C@@H]1CC[C@H]1N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	CHEMBL4108639	=	18.6	2016	CHEMBL3886531
CC(=O)N1CCCC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3945362	=	18.62	2016	CHEMBL3886531
CC(=O)N1C[C@H](C)[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3959313	=	2.799	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2C[C@H](C(N)=O)C2)cn1	CHEMBL3954091	=	0.774	2016	CHEMBL3886531
CC(=O)N1CCC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3900825	=	8.634	2016	CHEMBL3886531
CC(=O)N1CCC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4108641	=	3.904	2016	CHEMBL3886531
CC(=O)N1C[C@H](C(F)F)[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3917560	=	35.74	2016	CHEMBL3886531
CNS(=O)(=O)N(C)[C@H]1C[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3978972	=	0.318	2016	CHEMBL3886531
NC(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3908613	=	0.794	2016	CHEMBL3886531
N#C[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3967954	<	0.229	2016	CHEMBL3886531
CC(=O)N1C[C@@H](C(F)F)[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4108277	=	27.75	2016	CHEMBL3886531
COC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3895035	=	0.234	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CN(C=O)C2)cn1	CHEMBL3895529	=	0.888	2016	CHEMBL3886531
CC(=O)N1C[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)[C@H](C(F)F)C1	CHEMBL4111155	=	6.612	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2C[C@@H](F)C2)cn1	CHEMBL3959593	=	0.508	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2C[C@H](F)C2)cn1	CHEMBL3927520	<	0.229	2016	CHEMBL3886531
CC(=O)N1C[C@@H](F)[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4115486	=	0.926	2016	CHEMBL3886531
CC(=O)N1C[C@H](F)[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3917841	=	1.899	2016	CHEMBL3886531
CC(=O)N1C[C@@H](C)[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4114270	=	9.393	2016	CHEMBL3886531
CC(=O)N[C@H]1C(C)(C)[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1(C)C	CHEMBL3889729	=	1.144	2016	CHEMBL3886531
CC(=O)N[C@H]1CC[C@@H]1N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	CHEMBL3908528	=	4.601	2016	CHEMBL3886531
CC(=O)N1C[C@H](C(F)F)[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3935575	=	8.899	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CN(S(N)(=O)=O)C2)cn1	CHEMBL3917700	<	0.229	2016	CHEMBL3886531
CS(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3901312	=	0.35	2016	CHEMBL3886531
CC(=O)N1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)[C@H](F)C1	CHEMBL4107311	=	5.079	2016	CHEMBL3886531
CC(=O)N1C[C@H](F)[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3928414	=	1.106	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2	CHEMBL3964976	=	0.359	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@@H]2CCNC(=O)C2)cn1	CHEMBL4111471	=	8.025	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCNC(=O)C2)cn1	CHEMBL3905252	=	14.68	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1CCN(S(C)(=O)=O)C1)CC2	CHEMBL3914245	<	0.229	2016	CHEMBL3886531
CS(=O)(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4109376	=	1.247	2016	CHEMBL3886531
CNS(=O)(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4114539	=	0.788	2016	CHEMBL3886531
CN(C)S(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3891719	=	0.24	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@H]1CCN(S(C)(=O)=O)C1)CC2	CHEMBL3903429	=	0.761	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@@H]2CCN(S(N)(=O)=O)C2)cn1	CHEMBL4110177	=	3.507	2016	CHEMBL3886531
CNS(=O)(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3892933	=	0.283	2016	CHEMBL3886531
NC(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3941311	=	3.673	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CC(F)(F)C1)CC2	CHEMBL3974429	=	0.462	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@H]1CCC(F)(F)C1)CC2	CHEMBL3907013	=	0.674	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1CCC(F)(F)C1)CC2	CHEMBL3969183	=	1.247	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1C[C@H](N(C)S(C)(=O)=O)C1)CC2	CHEMBL3897998	=	0.403	2016	CHEMBL3886531
CNS(=O)(=O)N1CCC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3923764	=	1.472	2016	CHEMBL3886531
CNS(=O)(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3892933	=	0.475	2016	CHEMBL3886531
CS(=O)(=O)N1CCC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4109394	=	0.506	2016	CHEMBL3886531
CC(C)[C@@H](O)C(=O)N(C)[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3955586	=	2.371	2016	CHEMBL3886531
CNS(=O)(=O)O[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3939544	<	0.229	2016	CHEMBL3886531
CC(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3972565	=	2.093	2016	CHEMBL3886531
CNS(=O)(=O)N1CCC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4111271	=	3.632	2016	CHEMBL3886531
CO[C@@H]1CN(C(C)=O)C[C@H]1N1CCc2c(-c3cnc(N)nc3)nc(N3CCOC[C@@H]3C)nc21	CHEMBL3892263	=	1.244	2016	CHEMBL3886531
CS(=O)(=O)N1CCC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3914744	=	2.122	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1CCN(S(N)(=O)=O)C1)CC2	CHEMBL3984556	<	0.229	2016	CHEMBL3886531
CCS(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3905945	<	0.229	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCN(S(=O)(=O)C3CC3)C2)cn1	CHEMBL3913698	<	0.229	2016	CHEMBL3886531
CO[C@@H]1CN(S(C)(=O)=O)C[C@H]1N1CCc2c(-c3cnc(N)nc3)nc(N3CCOC[C@@H]3C)nc21	CHEMBL3960500	=	0.557	2016	CHEMBL3886531
CNS(=O)(=O)O[C@H]1C[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3901222	<	0.229	2016	CHEMBL3886531
CS(=O)(=O)N[C@H]1C[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3956807	=	0.285	2016	CHEMBL3886531
CC(C)S(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3925835	<	0.229	2016	CHEMBL3886531
CS(=O)(=O)N[C@H]1C[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3892441	=	1.388	2016	CHEMBL3886531
CCS(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3920433	<	0.229	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CN(S(=O)(=O)C3CC3)C2)cn1	CHEMBL3933029	<	0.229	2016	CHEMBL3886531
CN(C)S(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3957048	=	0.735	2016	CHEMBL3886531
CC(C)S(=O)(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4111341	<	0.229	2016	CHEMBL3886531
CCS(=O)(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4112436	=	0.491	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(C)(=O)=O)C1)CC2	CHEMBL3981488	<	0.229	2016	CHEMBL3886531
CS(=O)(=O)[C@H]1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4108820	=	1.268	2016	CHEMBL3886531
CCS(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3956025	<	0.229	2016	CHEMBL3886531
CC(C)S(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3984638	=	0.961	2016	CHEMBL3886531
CNS(=O)(=O)N1C[C@@H](OC)[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3945841	=	0.256	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(=O)(=O)C3CC3)C1)CC2	CHEMBL3917955	<	0.229	2016	CHEMBL3886531
CCS(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3954541	<	0.229	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(=O)(=O)N(C)C)C1)CC2	CHEMBL3930435	<	0.229	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@H]1CCN(S(=O)(=O)C3CC3)C1)CC2	CHEMBL3931471	<	0.229	2016	CHEMBL3886531
CNS(=O)(=O)N1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3903491	<	0.229	2016	CHEMBL3886531
COC(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3940507	<	0.229	2016	CHEMBL3886531
CC(C)OC(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3909025	=	0.333	2016	CHEMBL3886531
CCOC(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3980124	<	0.229	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(N)(=O)=O)C1)CC2	CHEMBL3951197	<	0.229	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@H]1CN(S(N)(=O)=O)C[C@H]1O)CC2	CHEMBL3923160	=	0.789	2016	CHEMBL3886531
CNS(=O)(=O)N1C[C@@H](O)[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3947473	<	0.229	2016	CHEMBL3886531
CN(C)S(=O)(=O)[C@H]1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4111251	=	0.38	2016	CHEMBL3886531
CNS(=O)(=O)[C@H]1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4114123	=	0.352	2016	CHEMBL3886531
CC(C)S(=O)(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3901702	<	0.229	2016	CHEMBL3886531
CC(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	CHEMBL3933182	<	0.229	2016	CHEMBL3886531
COCCOC(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)nc32)C1	CHEMBL3896218	=	0.468	2016	CHEMBL3886531
CC(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	CHEMBL3924232	=	3.883	2016	CHEMBL3886531
CC(C)(C)NC(=O)N1CC[C@@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL4106691	=	5.159	2016	CHEMBL3886531
CC(=O)N1CC(OC(=O)N2CC[C@@H](N3CCc4c(-c5cnc(N)nc5)nc(N5CCOC[C@@H]5C)nc43)C2)C1	CHEMBL3911814	<	0.229	2016	CHEMBL3886531
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@@H]2CC[C@H](S(N)(=O)=O)C2)cn1	CHEMBL4108130	=	0.664	2016	CHEMBL3886531
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@H]1CCN(C(=O)NC(C)(C)C)C1)CC2	CHEMBL3975417	=	5.547	2016	CHEMBL3886531
CC(C)(C)NC(=O)N1CC[C@H](N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1	CHEMBL3956068	=	0.596	2016	CHEMBL3886531
CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(S(C)(=O)=O)C1	CHEMBL3984086	<	0.229	2016	CHEMBL3886531