canonical_smiles	compound_chembl_id	standard_relation	standard_value	publication_year	document_chembl_id
CCC(=O)N(c1ccccc1)C1CCN(CCC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)CC1	CHEMBL3659473	=	19.17	2013	CHEMBL3638883
C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL376690	=	1.1	2013	CHEMBL3638450
C[C@H]1CN2C[C@H](c3ccccc3)CC[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL426523	=	0.57	2013	CHEMBL3638450
C[C@H]1CN2CCN(C(=O)c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL218404	=	2.0	2013	CHEMBL3638450
C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL219495	=	5.5	2013	CHEMBL3638450
C[C@H]1CN2C[C@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL435746	=	8.9	2013	CHEMBL3638450
C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL219319	=	3.6	2013	CHEMBL3638450
C[C@H]1CN2C[C@H](c3ccccc3)N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1	CHEMBL218520	=	3.3	2013	CHEMBL3638450
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cnc(O)nc4O)cc2)c(O)c13	CHEMBL3667194	=	1.7	2015	CHEMBL3638770
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccccc4)cc2)c(O)c13	CHEMBL3667190	=	0.39	2015	CHEMBL3638770
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	=	0.52	2015	CHEMBL3638770
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cn[nH]c4)cc2)c(O)c13	CHEMBL3667197	=	0.15	2015	CHEMBL3638770
CN1CC[C@]23CC(=O)CCC2[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c13	CHEMBL3667198	=	1.7	2015	CHEMBL3638770
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	=	3.5	2015	CHEMBL3638770
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=CC3C1C5	CHEMBL409938	=	0.32	2015	CHEMBL3638770
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cc[nH]c(=O)c4)cc2)c(O)c13	CHEMBL3667199	=	0.43	2015	CHEMBL3638770
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cnc(O)nc4O)cc2)c(O)c13	CHEMBL3667194	=	1.3	2015	CHEMBL3638770
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccc(=O)[nH]c4)cc2)c(O)c13	CHEMBL3667193	=	0.63	2015	CHEMBL3638770
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2nc4ccccc4[nH]2)c(O)c13	CHEMBL3667191	=	27.0	2015	CHEMBL3638770
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cnc(=O)[nH]c4)cc2)c(O)c13	CHEMBL3667200	=	1.6	2015	CHEMBL3638770
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	=	0.66	2015	CHEMBL3638770
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC1CCCCC1)C2	CHEMBL3908275	=	89.96	2013	CHEMBL3638745
COc1cccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(C)[C@@H]4C6)c1	CHEMBL3664526	=	0.21	2013	CHEMBL3638745
COc1cccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(C)[C@@H]4C6)c1	CHEMBL3664526	=	6.37	2013	CHEMBL3638745
C=CCOC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5	CHEMBL3947184	=	0.43	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cl)cc1)C2	CHEMBL3907149	=	164.67	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC1CCC1)C2	CHEMBL3951177	=	29.57	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC1CCCCC1)C2	CHEMBL3912511	=	25.58	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cl)cc1)C2	CHEMBL3907149	=	0.12	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccccc1)C2	CHEMBL3955920	=	306.06	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(C)c1)C2	CHEMBL3892737	=	1.2	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC1CCC1)C2	CHEMBL3951177	=	0.15	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cl)c(Cl)c1)C2	CHEMBL3919397	=	36.08	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cl)c(Cl)c1)C2	CHEMBL3923372	=	1.0	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(F)(F)F)cc1)C2	CHEMBL3948231	=	4.38	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL3916122	=	2.0	2013	CHEMBL3638745
C=CCOC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5	CHEMBL3947184	=	36.0	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(C)c1)C2	CHEMBL3892737	=	0.15	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1C)C2	CHEMBL3944046	=	0.07	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL3916122	=	0.12	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1C)C2	CHEMBL3952829	=	0.1	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cl)cc1)C2	CHEMBL3907149	=	1.47	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(F)(F)F)cc1)C2	CHEMBL3948231	=	0.35	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(F)(F)F)cc1)C2	CHEMBL3948231	=	241.2	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccncc1)C2	CHEMBL3959791	=	162.95	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC1CCCCC1)C2	CHEMBL3912511	=	1.6	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1C)C2	CHEMBL3952829	=	1.76	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC/C=C/c1ccccc1)C2	CHEMBL3982823	=	0.53	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc3ccccc13)C2	CHEMBL3911769	=	0.08	2013	CHEMBL3638745
COc1ccc2c3c1OC1C4(OC)CCC5(CC4COCc4ccccc4)[C@@H](C2)N(C)CC[C@]315	CHEMBL3664525	=	0.17	2013	CHEMBL3638745
Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2sccc2n1	CHEMBL3664542	=	59.0	2013	CHEMBL3638745
C=CCOC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5	CHEMBL3947184	=	127.0	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(F)(F)F)cc1)C2	CHEMBL3904663	=	0.4	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cl)c(Cl)c1)C2	CHEMBL3919397	=	1.22	2013	CHEMBL3638745
C#CCOCC1CC23CCC1(OC)C1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5	CHEMBL3664540	=	42.0	2013	CHEMBL3638745
C=CCOCC1CC23CCC1(OC)C1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5	CHEMBL3664541	=	1264.0	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc3ccccc3c1)C2	CHEMBL3915488	=	0.74	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(C)(C)C)cc1)C2	CHEMBL3900482	=	7.99	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cl)c(Cl)c1)C2	CHEMBL3919397	=	0.04	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(OC(F)(F)F)cc1)C2	CHEMBL3946351	=	5.71	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC1CCCCC1)C2	CHEMBL3912511	=	0.15	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(F)(F)F)cc1)C2	CHEMBL3904663	=	96.35	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccccc1)C2	CHEMBL3901699	=	0.15	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc3ccccc3c1)C2	CHEMBL3915488	=	1.87	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc3ccccc3c1)C2	CHEMBL3948400	=	324.75	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccccc1)C2	CHEMBL3901699	=	89.26	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(F)(F)F)cc1)C2	CHEMBL3904663	=	2.2	2013	CHEMBL3638745
C#CCOCC1CC23CCC1(OC)C1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5	CHEMBL3664540	=	5.9	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(-c3ccccc3)cc1)C2	CHEMBL3954498	=	1752.98	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(C)c1)C2	CHEMBL3893577	=	2.58	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(-c3ccccc3)cc1)C2	CHEMBL3954498	=	25.78	2013	CHEMBL3638745
COc1ccc2c3c1OC1C4(OC)CCC5(CC4COCc4ccccc4)[C@@H](C2)N(C)CC[C@]315	CHEMBL3664525	=	1.12	2013	CHEMBL3638745
C#CCOCC1CC23CCC1(OC)C1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5	CHEMBL3664540	=	1043.0	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(C)c1)C2	CHEMBL3893577	=	0.05	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccccc1)C2	CHEMBL3955920	=	2.95	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(C)(C)C)cc1)C2	CHEMBL3900482	=	3.58	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc3ccccc3c1)C2	CHEMBL3948400	=	22.53	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cl)c(Cl)c1)C2	CHEMBL3923372	=	0.23	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(C)c1)C2	CHEMBL3893577	=	23.97	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccccc1)C2	CHEMBL3955920	=	16.19	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC/C=C/c1ccccc1)C2	CHEMBL3982823	=	4.35	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(C)(C)C)cc1)C2	CHEMBL3911529	=	355.34	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cl)c(Cl)c1)C2	CHEMBL3923372	=	21.06	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1C)C2	CHEMBL3944046	=	1.55	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(-c3ccccc3)cc1)C2	CHEMBL3954498	=	1.91	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL3916122	=	9.2	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(C)(C)C)cc1)C2	CHEMBL3911529	=	2.7	2013	CHEMBL3638745
C=CCOCC1CC23CCC1(OC)C1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5	CHEMBL3664541	=	6.5	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC1CCCCC1)C2	CHEMBL3908275	=	0.05	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(OC(F)(F)F)cc1)C2	CHEMBL3946351	=	4.4	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC1CCCCC1)C2	CHEMBL3908275	=	0.69	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc3ccccc3c1)C2	CHEMBL3948400	=	2.6	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccccc1)C2	CHEMBL3901699	=	14.44	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc3ccccc13)C2	CHEMBL3911769	=	0.59	2013	CHEMBL3638745
CC1(C)c2[nH]nc(Nc3ncnc4ccoc34)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1	CHEMBL3664512	=	58.0	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccncc1)C2	CHEMBL3959791	=	2.3	2013	CHEMBL3638745
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(C)(C)C)cc1)C2	CHEMBL3911529	=	12.13	2013	CHEMBL3638745
COc1ccc2c3c1O[C@H]1C4(OC)CC[C@@]5(C[C@@H]4COCC#N)[C@@H](C2)N(CC2CC2)CC[C@]315	CHEMBL4107573	=	43.0	2013	CHEMBL3638745
COc1ccc2c3c1O[C@H]1C4(OC)CC[C@@]5(C[C@@H]4COCC#N)[C@@H](C2)N(CC2CC2)CC[C@]315	CHEMBL4107573	=	1.3	2013	CHEMBL3638745
COc1ccc2c3c1O[C@H]1C4(OC)CC[C@@]5(C[C@@H]4COCC#N)[C@@H](C2)N(CC2CC2)CC[C@]315	CHEMBL4107573	=	221.0	2013	CHEMBL3638745
CC(C)C1CCC(N2CCC(N3C(=O)CC(=O)Nc4ccccc43)CC2)CC1	CHEMBL3665429	=	2950.0	2014	CHEMBL3638667
CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O	CHEMBL3665430	=	5000.0	2014	CHEMBL3638667
O=c1[nH]c2ccccc2n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c1=O	CHEMBL3665423	=	1300.0	2014	CHEMBL3638667
O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cc(F)ccc2N1	CHEMBL3665427	=	3800.0	2014	CHEMBL3638667
O=c1[nH]c2ccc(F)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3665421	=	2500.0	2014	CHEMBL3638667
NC(=O)Cn1c(=O)c(=O)n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21	CHEMBL3665424	=	3300.0	2014	CHEMBL3638667
N#CCn1c(=O)c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21	CHEMBL3665433	=	9540.0	2014	CHEMBL3638667
O=c1[nH]c2ccc(N3CCOCC3)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3665436	=	28200.0	2014	CHEMBL3638667
O=c1[nH]c2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3665439	=	529.0	2014	CHEMBL3638667
O=c1[nH]c2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3665440	=	769.0	2014	CHEMBL3638667
O=C1CC(=O)N([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c2ccccc2N1	CHEMBL3670294	=	11930.0	2014	CHEMBL3638667
O=c1[nH]c2ccccc2n([C@H]2C[C@H]3C=C[C@@H](C2)N3C2/C=C\CCCCC2)c1=O	CHEMBL3665443	=	1380.0	2014	CHEMBL3638667
O=c1[nH]c2ccccc2n([C@@H]2C[C@H]3C=C[C@@H](C2)N3C2/C=C\CCCCC2)c1=O	CHEMBL3665444	=	15750.0	2014	CHEMBL3638667
O=c1[nH]c2ncccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3665435	=	17385.0	2014	CHEMBL3638667
O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cccnc2N1	CHEMBL3665441	=	12380.0	2014	CHEMBL3638667
COC(=O)C1(N2CCC(N3C(=O)CC(=O)Nc4ccc(F)cc43)CC2)CCCCCCC1	CHEMBL3670297	=	11670.0	2014	CHEMBL3638667
O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc2N1	CHEMBL3665425	=	13700.0	2014	CHEMBL3638667
O=c1[nH]c2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3665419	=	2200.0	2014	CHEMBL3638667
CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(C3CCCCCCC3)CC2)C1=O	CHEMBL3665428	=	6200.0	2014	CHEMBL3638667
CC(C)C1CCC(N2CCC(n3c(=O)c(=O)[nH]c4ccccc43)CC2)CC1	CHEMBL3665422	=	825.0	2014	CHEMBL3638667
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5	CHEMBL19019	=	0.7	2015	CHEMBL3638635
Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1	CHEMBL3219777	=	51.8	2015	CHEMBL3638635
Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1	CHEMBL3697625	=	9.2	2015	CHEMBL3638635
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	=	189.66	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	=	3.66	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	=	0.77	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	=	4.89	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	=	3.18	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	=	0.36	2015	CHEMBL3639331
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CN)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691865	=	0.53	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	=	5.83	2015	CHEMBL3639331
COC12CC[C@@]3(C[C@@H]1CNC(=O)c1ccccc1C(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL3691886	=	1.51	2015	CHEMBL3639331
O=C(O)CCC[C@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc31)[C@@H]2CC(=O)O	CHEMBL3688135	=	977.19	2015	CHEMBL3638511
O=C(O)/C=C1\[C@H]2Cc3ccc(O)cc3[C@]1(CCCC(=O)O)CCN2CC1CC1	CHEMBL4114012	=	621.4	2015	CHEMBL3638511
CN(C)C(=O)CCC[C@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc31)/C2=C\C(=O)O	CHEMBL4106660	=	853.3	2015	CHEMBL3638511
O=C(O)/C=C1\[C@H]2Cc3ccc(O)cc3[C@]1(CCCC(=O)O)CCN2CC1CC1	CHEMBL4114012	=	1343.0	2015	CHEMBL3638511
O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)C3=CN1Cc1ccc(O)cc1	CHEMBL3695669	=	22.75	2015	CHEMBL3639236
O=C(O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL3695671	=	21.18	2015	CHEMBL3639236
O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1	CHEMBL3695670	=	5.61	2015	CHEMBL3639236
O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1Cc1ccc(O)cc1	CHEMBL3695668	=	12.77	2015	CHEMBL3639236
NC(=O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL3695667	=	24.41	2015	CHEMBL3639236
COc1ccc(CN2C=C3[C@H]4Cc5ccc(OC)cc5[C@@]3(CCN4CC3CC3)CC2=O)cc1	CHEMBL3695665	=	218.1	2015	CHEMBL3639236
Oc1ccc2c(c1)[C@@]13CCNC[C@H]1[C@@H](C2)N(CC1CC1)CC3	CHEMBL3695676	=	50.42	2015	CHEMBL3639236
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	=	67.22	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	=	162.64	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	=	242.28	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	=	9.55	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	=	2.29	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	=	1.36	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	=	2.11	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	=	544.34	2015	CHEMBL3638402
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccccc1)C2	CHEMBL4111313	=	1489.98	2015	CHEMBL3638402
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccoc1)C2	CHEMBL4108857	=	5811.0	2015	CHEMBL3638402
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	=	47.12	2015	CHEMBL3638402
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cc3ccccc3o1)C2	CHEMBL4108315	=	275.25	2015	CHEMBL3638402
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc3ccccc3c1)C2	CHEMBL4106588	=	182.47	2015	CHEMBL3638402
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	=	24.29	2015	CHEMBL3638402
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	=	4.51	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	=	4.3	2015	CHEMBL3638402
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	=	5.35	2015	CHEMBL3638402
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	=	6.26	2015	CHEMBL3638402
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	=	261.93	2015	CHEMBL3638402
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccco1)C2	CHEMBL4113404	=	570.67	2015	CHEMBL3638402
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	>	20000.0	2015	CHEMBL3639368
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	=	3560.0	2015	CHEMBL3639368
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	=	1112.0	2015	CHEMBL3639368
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	=	5540.0	2015	CHEMBL3639368
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	=	1670.0	2015	CHEMBL3639368
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	=	4640.0	2015	CHEMBL3639368
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	=	11320.0	2015	CHEMBL3639368
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	=	7450.0	2015	CHEMBL3639368
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	>	20000.0	2015	CHEMBL3639368
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	=	11770.0	2015	CHEMBL3639368
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	>	20000.0	2015	CHEMBL3639368
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	>	20000.0	2015	CHEMBL3639368
CCOC(=N)/N=c1\[nH]c2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3704607	=	511.0	2015	CHEMBL3639368
NC(=O)/N=c1\[nH]c2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3704608	=	339.0	2015	CHEMBL3639368
CONC(=N)/N=c1\[nH]c2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3704609	=	2473.0	2015	CHEMBL3639368
COC(=O)/N=c1\n(CC(N)=O)c2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3704610	=	2771.0	2015	CHEMBL3639368
O=C(O)CNc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1	CHEMBL3704612	=	1183.0	2015	CHEMBL3639368
OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1	CHEMBL3704613	=	1577.0	2015	CHEMBL3639368
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	=	1497.0	2015	CHEMBL3639368
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	=	1837.0	2015	CHEMBL3639368
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	=	4006.0	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	=	4497.0	2015	CHEMBL3639368
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	=	1879.0	2015	CHEMBL3639368
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	=	3007.0	2015	CHEMBL3639368
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	=	2846.0	2015	CHEMBL3639368
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	=	1914.0	2015	CHEMBL3639368
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	=	1669.0	2015	CHEMBL3639368
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	=	4335.0	2015	CHEMBL3639368
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	=	3003.0	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	=	520.0	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	=	529.0	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	=	952.0	2015	CHEMBL3639368
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O	CHEMBL3647961	=	4032.0	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	=	61.6	2013	CHEMBL3638658
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647958	=	1631.0	2013	CHEMBL3638658
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647959	=	4450.0	2013	CHEMBL3638658
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O	CHEMBL3647960	=	1600.0	2013	CHEMBL3638658
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O	CHEMBL3647963	=	1436.0	2013	CHEMBL3638658
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647959	=	3825.0	2013	CHEMBL3638658
CCC(=O)N(c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1	CHEMBL3659471	=	330.6	2013	CHEMBL3638883
CCC(=O)N(c1ccccc1)C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1	CHEMBL3659474	=	82.83	2013	CHEMBL3638883
CCC(=O)N(c1ccccc1)C1CCN(CCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)CC1	CHEMBL3659472	=	36.1	2013	CHEMBL3638883
NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3	CHEMBL4115660	=	0.28	2015	CHEMBL3886239
O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1	CHEMBL3930104	=	0.07943	2014	CHEMBL3879907
CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1	CHEMBL3890980	=	10.0	2014	CHEMBL3879907
O=C(C1CCCC1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1	CHEMBL3975037	=	10.0	2014	CHEMBL3879907
CCC(CC)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1	CHEMBL3911562	=	10.0	2014	CHEMBL3879907
COC(=O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1	CHEMBL3914215	=	10.0	2014	CHEMBL3879907
O=C(O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1	CHEMBL3949382	=	10.0	2014	CHEMBL3879907
CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3958806	=	10.0	2014	CHEMBL3879907
CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3897058	=	10.0	2014	CHEMBL3879907
O=C(C1CCCC1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3899784	=	10.0	2014	CHEMBL3879907
O=C(C1CCCCC1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3935092	=	10.0	2014	CHEMBL3879907
O=C(CCC1CCCC1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3937881	=	10.0	2014	CHEMBL3879907
CC(C)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3983714	=	10.0	2014	CHEMBL3879907
O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3914068	=	10.0	2014	CHEMBL3879907
O=C(Cc1ccccc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3915013	=	10.0	2014	CHEMBL3879907
O=C(O)CC1(CC(=O)N(CCN2[C@H]3CC[C@@H]2C[C@H](c2cccc(O)c2)C3)CC2CCCCC2)CCCCC1	CHEMBL3912364	=	10.0	2014	CHEMBL3879907
O=C(O)CC1(CC(=O)N(CCN2[C@H]3CC[C@@H]2C[C@H](c2cccc(O)c2)C3)CC2CCCCC2)CCCC1	CHEMBL3919593	=	10.0	2014	CHEMBL3879907
O=C(O)C1CCCCC1C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3955687	=	10.0	2014	CHEMBL3879907
O=C(O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3911517	=	10.0	2014	CHEMBL3879907
CC(C)(CC(=O)O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3954518	=	10.0	2014	CHEMBL3879907
O=C(O)CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3938671	=	10.0	2014	CHEMBL3879907
O=C(O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3930987	=	10.0	2014	CHEMBL3879907
CCC(C)NC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3981775	=	10.0	2014	CHEMBL3879907
O=C(NCc1ccccc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3973947	=	10.0	2014	CHEMBL3879907
O=C(Nc1ccc2c(c1)OCO2)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3931758	=	10.0	2014	CHEMBL3879907
O=C(Nc1cccc(F)c1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3934448	=	10.0	2014	CHEMBL3879907
CCCCCNC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3977132	=	10.0	2014	CHEMBL3879907
O=C(NCc1ccc(F)cc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3929945	=	10.0	2014	CHEMBL3879907
O=C(O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CO)c1	CHEMBL3958182	>	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(C[C@H]2CC[C@@H](O)CC2)C(=O)[C@@H](O)CO)c1	CHEMBL3930802	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(C[C@H]2CC[C@H](O)CC2)C(=O)[C@@H](O)CO)c1	CHEMBL3895484	=	10.0	2014	CHEMBL3879907
CC1(C)C(CN(CCN2[C@H]3CC[C@@H]2C[C@H](c2cccc(C(N)=O)c2)C3)C(=O)CO)C1(C)C	CHEMBL3892763	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@H](O)CO)c1	CHEMBL3954621	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCC(C(F)(F)F)CC2)C(=O)[C@@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3911639	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCC(C(F)(F)F)CC1.O=C(O)C(F)(F)F	CHEMBL3909993	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCC(C(F)(F)F)CC2)C(=O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3907179	=	10.0	2014	CHEMBL3879907
CC1CCC(CN(CCN2[C@H]3CC[C@@H]2C[C@H](c2cccc(C(N)=O)c2)C3)C(=O)[C@@H](O)CO)CC1.O=C(O)C(F)(F)F	CHEMBL3971000	=	10.0	2014	CHEMBL3879907
CC1CCC(CN(CCN2[C@H]3CC[C@@H]2C[C@H](c2cccc(C(N)=O)c2)C3)C(=O)CS(C)(=O)=O)CC1.O=C(O)C(F)(F)F	CHEMBL3968243	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC(F)(F)c2ccccc2)C(=O)[C@@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3949956	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1cccc(F)c1.O=C(O)C(F)(F)F	CHEMBL3952629	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2cccc(F)c2)C(=O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3954319	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCc1ccc(O)cc1)CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2.O=C(O)C(F)(F)F	CHEMBL3966240	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CCc2ccc(O)cc2)C(=O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3963911	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCc1ccc(F)cc1)CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2.O=C(O)C(F)(F)F	CHEMBL3904914	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CCc2ccc(F)cc2)C(=O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3921767	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CCc2cccc(F)c2)C(=O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3979596	=	10.0	2014	CHEMBL3879907
CN(C)S(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccc(CF)cc1.O=C(O)C(F)(F)F	CHEMBL3954546	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2ccc(F)cc2)C(=O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3936633	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccc(F)cc1.O=C(O)C(F)(F)F	CHEMBL3981656	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccc(C(F)(F)F)cc1.O=C(O)C(F)(F)F	CHEMBL3979255	=	10.0	2014	CHEMBL3879907
CN(C)S(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccc(C(F)(F)F)cc1.O=C(O)C(F)(F)F	CHEMBL3920969	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3911241	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCC1.O=C(O)C(F)(F)F	CHEMBL3958491	=	10.0	2014	CHEMBL3879907
CC(C)(C)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCC1.O=C(O)C(F)(F)F	CHEMBL3955853	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCC2)C(=O)[C@H]2CC[C@H](O)CC2)c1.O=C(O)C(F)(F)F	CHEMBL3898530	=	10.0	2014	CHEMBL3879907
CC(C)(CO)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCC1.O=C(O)C(F)(F)F	CHEMBL3964639	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCC2)C(=O)CCO)c1.O=C(O)C(F)(F)F	CHEMBL3974741	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2ccccc2)C(=O)[C@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3965191	=	10.0	2014	CHEMBL3879907
C[C@@H](O)[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3919667	=	10.0	2014	CHEMBL3879907
N#CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3929334	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2ccccc2)C(=O)C2(O)CC2)c1.O=C(O)C(F)(F)F	CHEMBL3972887	=	10.0	2014	CHEMBL3879907
CC(C)(CO)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3975358	=	10.0	2014	CHEMBL3879907
COCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3963804	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3907942	=	10.0	2014	CHEMBL3879907
CC(C)(C)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3956478	=	10.0	2014	CHEMBL3879907
CC(O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3959139	=	10.0	2014	CHEMBL3879907
CC(C)(O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3911926	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3921673	=	10.0	2014	CHEMBL3879907
C[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCC1.O=C(O)C(F)(F)F	CHEMBL3896588	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCC2)C(=O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3984601	=	10.0	2014	CHEMBL3879907
CC(C)(C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCC1)S(C)(=O)=O.O=C(O)C(F)(F)F	CHEMBL3956373	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCC1.O=C(O)C(F)(F)F	CHEMBL3953788	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCC2)C(=O)[C@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3918827	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCC2)C(=O)[C@@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3916056	=	10.0	2014	CHEMBL3879907
CC(CO)(CO)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCC1.O=C(O)C(F)(F)F	CHEMBL3942380	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCC2)C(=O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3939720	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCC1.O=C(O)C(F)(F)F	CHEMBL3904332	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCC2)C(=O)[C@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3894611	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCC2)C(=O)[C@@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3941359	=	10.0	2014	CHEMBL3879907
CC(CO)(CO)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCC1.O=C(O)C(F)(F)F	CHEMBL3944063	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCC(F)CC2)C(=O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3910717	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCC(F)CC2)C(=O)[C@@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3928220	=	10.0	2014	CHEMBL3879907
C[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCC(F)(F)CC1.O=C(O)C(F)(F)F	CHEMBL3962974	=	10.0	2014	CHEMBL3879907
CN(C)CC[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCC(F)(F)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F	CHEMBL3967870	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCC(F)(F)CC1.O=C(O)C(F)(F)F	CHEMBL3904035	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCC(F)(F)CC2)C(=O)[C@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3913816	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCC(F)(F)CC2)C(=O)[C@@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3948980	=	10.0	2014	CHEMBL3879907
CC(CO)(CO)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCC(F)(F)CC1.O=C(O)C(F)(F)F	CHEMBL3951589	=	10.0	2014	CHEMBL3879907
CC(C)(C)C(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3951192	=	10.0	2014	CHEMBL3879907
CC(C)(O)C(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3948566	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3891950	=	10.0	2014	CHEMBL3879907
CC(O)C(O)C(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3986988	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCCN(Cc2ccccc2)C(=O)[C@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3929973	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCCN(Cc2ccccc2)C(=O)[C@@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3927259	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2ccccc2)C(=O)[C@@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3964093	=	10.0	2014	CHEMBL3879907
CC(=O)OCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1.O=C(O)C(F)(F)F	CHEMBL3967052	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCc1ccccc1)CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2.O=C(O)C(F)(F)F	CHEMBL3915579	=	0.1585	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CCc2ccccc2)C(=O)[C@@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3912877	=	10.0	2014	CHEMBL3879907
C[C@H](O)C(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1	CHEMBL3972035	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCCN(Cc2ccccc2)C(=O)CO)c1	CHEMBL3974531	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3932397	=	10.0	2014	CHEMBL3879907
CC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3935106	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCCN(CC2CCCCC2)C(=O)CO)c1	CHEMBL3985084	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2c(F)cccc2F)C(=O)[C@H]2CC[C@H](O)CC2)c1.O=C(O)C(F)(F)F	CHEMBL3897075	=	10.0	2014	CHEMBL3879907
CC(C)(C)OCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1c(F)cccc1F.O=C(O)C(F)(F)F	CHEMBL3946714	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2c(F)cccc2F)C(=O)C2(O)CC2)c1.O=C(O)C(F)(F)F	CHEMBL3949391	=	10.0	2014	CHEMBL3879907
N#CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1c(F)cccc1F.O=C(O)C(F)(F)F	CHEMBL3908840	=	10.0	2014	CHEMBL3879907
CC(C)(CO)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1c(F)cccc1F.O=C(O)C(F)(F)F	CHEMBL3911576	=	10.0	2014	CHEMBL3879907
C[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1c(F)cccc1F.O=C(O)C(F)(F)F	CHEMBL3904165	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2c(F)cccc2F)C(=O)[C@@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3901466	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2c(F)cccc2F)C(=O)[C@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3960780	=	10.0	2014	CHEMBL3879907
CC(C)C[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1c(F)cccc1F.O=C(O)C(F)(F)F	CHEMBL3958117	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2c(F)cccc2F)C(=O)[C@@H](O)Cc2ccccc2)c1.O=C(O)C(F)(F)F	CHEMBL3923303	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1c(F)cccc1F	CHEMBL3913557	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1c(F)cccc1F.O=C(O)C(F)(F)F	CHEMBL3976888	=	10.0	2014	CHEMBL3879907
CC(C)(C)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1c(F)cccc1F.O=C(O)C(F)(F)F	CHEMBL3974425	=	10.0	2014	CHEMBL3879907
COCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1c(F)cccc1F.O=C(O)C(F)(F)F	CHEMBL3937755	=	10.0	2014	CHEMBL3879907
CC(C)(O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1c(F)cccc1F.O=C(O)C(F)(F)F	CHEMBL3934968	=	10.0	2014	CHEMBL3879907
CN(C)S(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1c(F)cccc1F.O=C(O)C(F)(F)F	CHEMBL3948803	=	10.0	2014	CHEMBL3879907
O=C(O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F	CHEMBL3951426	=	10.0	2014	CHEMBL3879907
O=C(O)C(F)(F)F.O=C(O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F	CHEMBL3923014	=	10.0	2014	CHEMBL3879907
CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC12CC3CC(CC(C3)C1)C2.O=C(O)C(F)(F)F	CHEMBL3932748	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC23CC4CC(CC(C4)C2)C3)C(=O)CCC(=O)O)c1.O=C(O)C(F)(F)F	CHEMBL3969678	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC23CC4CC(CC(C4)C2)C3)C(=O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3972380	=	10.0	2014	CHEMBL3879907
O=C(O)C(F)(F)F.O=C(O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC12CC3CC(CC(C3)C1)C2	CHEMBL3944414	=	10.0	2014	CHEMBL3879907
CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC12CC3CC(CC(C3)C1)C2.O=C(O)C(F)(F)F	CHEMBL3947039	=	10.0	2014	CHEMBL3879907
O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC12CC3CC(CC(C3)C1)C2.O=C(O)C(F)(F)F	CHEMBL3959422	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC23CC4CC(CC(O)(C4)C2)C3)C(=O)CO)c1	CHEMBL3985420	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC23CC4CC(CC(O)(C4)C2)C3)C(=O)[C@@H](O)CO)c1	CHEMBL3953728	=	10.0	2014	CHEMBL3879907
COCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1.O=C(O)C(F)(F)F	CHEMBL3965695	=	10.0	2014	CHEMBL3879907
CN(C)S(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1.O=C(O)C(F)(F)F	CHEMBL3908268	=	10.0	2014	CHEMBL3879907
CN(C)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3920943	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)C[C@H](O)CO)c1.O=C(O)C(F)(F)F	CHEMBL3973434	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CCO)c1.O=C(O)C(F)(F)F	CHEMBL3975896	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)CCCO)c1	CHEMBL3970586	=	10.0	2014	CHEMBL3879907
CN(C)CC(O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3958731	=	10.0	2014	CHEMBL3879907
CCN(CC)CC[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3956988	=	10.0	2014	CHEMBL3879907
CC(C)(C)NCC[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3954387	=	10.0	2014	CHEMBL3879907
CN(C)CC[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3947390	=	10.0	2014	CHEMBL3879907
CC(CO)(CO)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3944763	=	10.0	2014	CHEMBL3879907
CN[C@@H](CO)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F	CHEMBL3942979	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)C2(O)CC2)c1.O=C(O)C(F)(F)F	CHEMBL3940352	=	10.0	2014	CHEMBL3879907
CN(C)CCCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3904974	=	10.0	2014	CHEMBL3879907
CC(C)(CO)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3924084	=	10.0	2014	CHEMBL3879907
CN(C)[C@@H](Cc1ccccc1)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3952624	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)C2(O)CC2)c1	CHEMBL3938376	=	10.0	2014	CHEMBL3879907
CC(C)C[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3979589	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)Cc2ccccc2)c1	CHEMBL3982022	=	10.0	2014	CHEMBL3879907
O=C([C@@H](O)C1CCCCC1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3940842	=	10.0	2014	CHEMBL3879907
O=C([C@H](O)C1CCCCC1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3912914	=	10.0	2014	CHEMBL3879907
O=C([C@H](O)CCc1ccccc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3936278	=	10.0	2014	CHEMBL3879907
CN(C)[C@@H](Cc1ccccc1)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3939047	=	10.0	2014	CHEMBL3879907
CC(C)C[C@H](O)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3899996	=	10.0	2014	CHEMBL3879907
O=C(N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1)C1(O)CC1	CHEMBL3929089	=	10.0	2014	CHEMBL3879907
O=C(C(O)CCc1ccccc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3983741	=	10.0	2014	CHEMBL3879907
O=C([C@@H](O)Cc1ccccc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3981257	=	10.0	2014	CHEMBL3879907
O=C([C@@H](O)c1ccccc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3897435	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)Nc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)CO)c1	CHEMBL3905164	=	10.0	2014	CHEMBL3879907
CC(=O)N(Cc1ccccc1)[C@H](C)CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2	CHEMBL3907395	=	10.0	2014	CHEMBL3879907
C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)C1CCCC1	CHEMBL3904639	=	10.0	2014	CHEMBL3879907
C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)CCC(=O)O	CHEMBL3965427	=	10.0	2014	CHEMBL3879907
CCC(CC)C(=O)N(Cc1ccccc1)[C@H](C)CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2	CHEMBL3909222	=	10.0	2014	CHEMBL3879907
C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)C1CCCCC1	CHEMBL3949757	=	10.0	2014	CHEMBL3879907
C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)CC1CCCC1	CHEMBL3947053	=	10.0	2014	CHEMBL3879907
CC(C)CC(=O)N(Cc1ccccc1)[C@H](C)CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2	CHEMBL3900924	=	10.0	2014	CHEMBL3879907
C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)Cc1ccccc1	CHEMBL3898149	=	10.0	2014	CHEMBL3879907
C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)CCC1CCCC1	CHEMBL3893866	=	10.0	2014	CHEMBL3879907
C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)C1CC1	CHEMBL3936213	=	10.0	2014	CHEMBL3879907
CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(=O)NOP(=O)(O)O)c1)C2)CC1CCC(F)(F)CC1	CHEMBL3978023	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCC(F)(F)CC2)C(=O)CO)c1	CHEMBL3910689	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CCCC2CCCCC2)C(=O)CO)c1	CHEMBL3924562	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CCC2CCCCC2)C(=O)CO)c1	CHEMBL3914747	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CCCc2ccccc2)C(=O)CO)c1	CHEMBL3962054	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CCc2ccccc2)C(=O)CO)c1	CHEMBL3959336	=	0.631	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CO)c1.O=C(O)C(=O)O	CHEMBL3895543	=	0.1259	2014	CHEMBL3879907
O=C(CO)ONC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CO)c1	CHEMBL3898217	=	0.1259	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CO)c1.O=S(=O)(O)O	CHEMBL3137319	=	0.1259	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CO)c1	CHEMBL3137313	=	0.1259	2014	CHEMBL3879907
NCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3952923	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3919761	=	10.0	2014	CHEMBL3879907
CC(C)NC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3971059	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)Nc2ccc3c(c2)OCO3)c1	CHEMBL3973639	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)NCc2ccc(F)cc2)c1	CHEMBL3931401	=	10.0	2014	CHEMBL3879907
CCCCCNC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3934103	=	10.0	2014	CHEMBL3879907
CCC(C)NC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3930269	=	10.0	2014	CHEMBL3879907
COC(=O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1	CHEMBL3978967	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)Cc2ccccc2)c1	CHEMBL3918766	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)CO)c1	CHEMBL3954068	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)CCC(=O)O)c1	CHEMBL3908846	=	10.0	2014	CHEMBL3879907
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2ccccc2)C(=O)CO)c1	CHEMBL3906031	=	0.1	2014	CHEMBL3879907
O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccc(C(F)(F)F)cc1	CHEMBL3904261	=	10.0	2014	CHEMBL3879907
O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccc(Cl)cc1	CHEMBL3901553	=	10.0	2014	CHEMBL3879907
O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccc(F)cc1	CHEMBL3965686	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F	CHEMBL3953716	=	10.0	2014	CHEMBL3879907
O=C(O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F	CHEMBL3949332	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1cccc(F)c1	CHEMBL3951949	=	10.0	2014	CHEMBL3879907
O=C(O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1cccc(F)c1	CHEMBL3889993	=	10.0	2014	CHEMBL3879907
CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F	CHEMBL3892743	=	10.0	2014	CHEMBL3879907
CC(C)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F	CHEMBL3899890	=	10.0	2014	CHEMBL3879907
O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F	CHEMBL3964041	=	10.0	2014	CHEMBL3879907
CC(C)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1cccc(F)c1	CHEMBL3937988	=	10.0	2014	CHEMBL3879907
O=C(O)C(O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1cccc(F)c1	CHEMBL3947549	=	10.0	2014	CHEMBL3879907
O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1cccc(F)c1	CHEMBL3983302	=	10.0	2014	CHEMBL3879907
COc1ccc(NC(=O)N(CCN2[C@H]3CC[C@@H]2C[C@H](c2cccc(O)c2)C3)CC2CCCCC2)cc1OC	CHEMBL3980164	=	10.0	2014	CHEMBL3879907
NC(=O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3908565	=	10.0	2014	CHEMBL3879907
CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3905743	=	10.0	2014	CHEMBL3879907
COC(=O)CCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3915012	=	10.0	2014	CHEMBL3879907
O=C(Nc1ccc(OC(F)F)cc1)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)CC1CCCCC1	CHEMBL3980392	=	10.0	2014	CHEMBL3879907
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	=	502.0	2016	CHEMBL3886630
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	=	219.0	2016	CHEMBL3886630
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	=	500.0	2016	CHEMBL3886630
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	=	48.9	2016	CHEMBL3886630
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	=	29.1	2016	CHEMBL3886630
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	=	38.9	2016	CHEMBL3886630
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	=	154.0	2016	CHEMBL3886630
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	=	54.1	2016	CHEMBL3886630
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	=	43.4	2016	CHEMBL3886630
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	=	2830.0	2016	CHEMBL3886630
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	=	3420.0	2016	CHEMBL3886630
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	=	744.0	2016	CHEMBL3886630
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	=	259.0	2016	CHEMBL3886630
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	=	494.0	2016	CHEMBL3886630
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	=	136.0	2016	CHEMBL3886630
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	=	128.0	2016	CHEMBL3886630
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	=	83.0	2016	CHEMBL3886630
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	=	57.0	2016	CHEMBL3886630
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	=	919.0	2016	CHEMBL3886630
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	=	86.0	2016	CHEMBL3886630
COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@]1(CC[C@@]1(C3)NC(=O)NC1=O)C2	CHEMBL3944286	=	6252.0	2016	CHEMBL3886698
COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@]1(CC[C@]1(C3)NC(=O)NC1=O)C2	CHEMBL3986032	>	20000.0	2016	CHEMBL3886698
COC(=O)c1cc2c([nH]c1=O)C[C@@]13CCN(CC4CC4)C[C@@]1(Cc1ccc(OC)cc13)C2	CHEMBL4113236	=	9550.0	2016	CHEMBL3886698
COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1cc(C(N)=O)c(=O)[nH]c1C3	CHEMBL4113521	=	15592.0	2016	CHEMBL3886698
NC(=O)c1cc2c([nH]c1=O)C[C@@]13CCN(CC4CC4)C[C@@]1(Cc1ccc(O)cc13)C2	CHEMBL4108929	=	770.1	2016	CHEMBL3886698
O=C1NC(=O)[C@@]2(CC[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)C2)N1	CHEMBL3916263	=	472.5	2016	CHEMBL3886698
O=C1NC(=O)[C@]2(CC[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)C2)N1	CHEMBL3981333	=	676.0	2016	CHEMBL3886698
CN(C)C1(C(=O)c2cc3ccccc3n2C)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3943372	=	70.5	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(C(=N)c2cc3ccccc3n2C)(N2CCCC2)CC1	CHEMBL3960085	=	49.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(C(=O)c2cc3ccccc3n2C)(N2CCCC2)CC1	CHEMBL3975775	=	1160.0	2016	CHEMBL3886853
CNC1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3959941	=	640.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3935944	=	600.0	2016	CHEMBL3886853
CN(C)C1(Cc2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3951213	=	80.5	2016	CHEMBL3886853
CN(C)C1(Cc2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3951213	=	155.0	2016	CHEMBL3886853
CC(=O)NCC1(C)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3945941	=	140.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(C)(CNS(=O)(=O)c2ccc(Cl)cc2)CC1	CHEMBL3942616	=	1.25	2016	CHEMBL3886853
CCCCC1(CNS(=O)(=O)c2ccc(Cl)cc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3966922	=	47.5	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(CO)(CCCCc2ccccc2)CC1	CHEMBL3937167	=	1.1	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(CO)(CCCCc2ccccc2)CC1	CHEMBL3937167	=	783.33	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)/C=C/c2ccccc2)CC1	CHEMBL3928190	=	14.25	2016	CHEMBL3886853
CC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3969636	=	15.4	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)/C=C/c2ccccc2)CC1	CHEMBL3928190	=	8.05	2016	CHEMBL3886853
CC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3969636	=	895.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)NCc2ccccc2)CC1	CHEMBL3977883	=	1.5	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)NCc2ccccc2)CC1	CHEMBL3977883	=	2.2	2016	CHEMBL3886853
CCNC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3982674	=	22.0	2016	CHEMBL3886853
CCNC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3982674	=	52.0	2016	CHEMBL3886853
CNC1(c2ccccc2)CCC(Cc2ccccc2)(CN(C)C)CC1	CHEMBL3893777	=	1110.0	2016	CHEMBL3886853
CN(C)CC1(Cc2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3932117	=	215.0	2016	CHEMBL3886853
Cc1c(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12	CHEMBL3959625	=	410.0	2016	CHEMBL3886853
CN(C)CC1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3974883	=	2455.0	2016	CHEMBL3886853
CNC1(c2ccccc2)CCC(c2cccs2)(N(C)C)CC1	CHEMBL3945501	=	555.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2cccs2)(N(C)C)CC1	CHEMBL3982887	=	445.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2cccs2)(N(C)C)CC1	CHEMBL3982887	=	4110.0	2016	CHEMBL3886853
CN(C)C1(c2cccc(F)c2)CCC(C)(CNC(=O)/C=C/c2ccccc2)CC1	CHEMBL3890424	=	1.8	2016	CHEMBL3886853
CC(NC(=O)/C=C/c1ccccc1)C1CCC(c2cccc(F)c2)(N(C)C)CC1	CHEMBL3959501	=	130.5	2016	CHEMBL3886853
CN(C)C1(c2cccc(F)c2)CCC(C)(CNS(=O)(=O)/C=C/c2ccccc2)CC1	CHEMBL3899387	=	13.35	2016	CHEMBL3886853
CN(C)C1(c2cccc(F)c2)CCC(C)(CNS(=O)(=O)/C=C/c2ccccc2)CC1	CHEMBL3899387	=	1.24	2016	CHEMBL3886853
CCCCC1(N(C)C)CCC(NC)(c2ccccc2)CC1	CHEMBL3911970	=	188.0	2016	CHEMBL3886853
CCCCC1(N(C)C)CCC(NC)(c2ccccc2)CC1	CHEMBL3911970	=	755.0	2016	CHEMBL3886853
CCCCN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3898034	=	900.0	2016	CHEMBL3886853
CCCCN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3898034	=	61.5	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2ccccc2)CC1	CHEMBL3934183	=	120.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2ccccc2)CC1	CHEMBL3934183	=	44.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)C(c2ccccc2)c2ccccc2)CC1	CHEMBL3960588	=	18.0	2016	CHEMBL3886853
CCCCC1(N(C)C)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3985824	=	115.0	2016	CHEMBL3886853
CCCCC1(N(C)C)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3985824	=	34.0	2016	CHEMBL3886853
CNC1(c2ccccc2)CCC(CC2CCCC2)(N(C)C)CC1	CHEMBL3977691	=	107.0	2016	CHEMBL3886853
CNC1(c2ccccc2)CCC(CC2CCCC2)(N(C)C)CC1	CHEMBL3977691	=	32.0	2016	CHEMBL3886853
CN(C)C1(CC2CCCC2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3909426	=	47.5	2016	CHEMBL3886853
CN(C)C1(CC2CCCC2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3909426	=	6.6	2016	CHEMBL3886853
CN(C)C1(CC2CCCC2)CCC(c2ccccc2)(N(C)C(=O)/C=C/c2ccccc2)CC1	CHEMBL3965425	=	5.3	2016	CHEMBL3886853
CN(C)C1(CC2CCCC2)CCC(c2ccccc2)(N(C)C(=O)/C=C/c2ccccc2)CC1	CHEMBL3965425	=	92.5	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CC(=O)O)CC1	CHEMBL3920864	=	10230.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CC(=O)O)CC1	CHEMBL3920864	=	5205.0	2016	CHEMBL3886853
CNC1(c2ccccc2)CCC(c2ccc(OC)cc2)(N(C)C)CC1	CHEMBL3926333	=	650.0	2016	CHEMBL3886853
CNC1(c2ccccc2)CCC(c2ccc(C(F)(F)F)cc2)(N(C)C)CC1	CHEMBL3946074	=	1190.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccc(C(F)(F)F)cc2)(N(C)C)CC1	CHEMBL3907138	=	1695.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccc(C(F)(F)F)cc2)(N(C)C)CC1	CHEMBL3907138	=	27.0	2016	CHEMBL3886853
COc1ccc(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)cc1	CHEMBL3919659	=	660.0	2016	CHEMBL3886853
COc1ccc(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)cc1	CHEMBL3919659	=	670.0	2016	CHEMBL3886853
CN(CC1(C)CCC(c2ccccc2)(N(C)C)CC1)c1c[nH]c2ccccc12	CHEMBL3921976	=	180.0	2016	CHEMBL3886853
CN(CC1(C)CCC(c2ccccc2)(N(C)C)CC1)c1c[nH]c2ccccc12	CHEMBL3921976	=	0.4	2016	CHEMBL3886853
CN(Cc1c[nH]c2ccccc12)CC1(C)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3937593	=	385.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccnc2)CC1	CHEMBL3929120	=	115.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccnc2)CC1	CHEMBL3929120	=	325.0	2016	CHEMBL3886853
CNc1nc(NC)nc(N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)n1	CHEMBL3950879	=	1055.0	2016	CHEMBL3886853
CNc1nc(Oc2ccc(OC)cc2)nc(N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)n1	CHEMBL3896402	=	740.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2ccn(C)n2)CC1	CHEMBL3982651	=	6.35	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2ccn(C)n2)CC1	CHEMBL3982651	=	45.0	2016	CHEMBL3886853
CCCC(=O)OC1(c2[nH]c3ccccc3c2C)CCC(c2cccc(F)c2)(N(C)C)CC1	CHEMBL3955335	=	235.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2cccc(C(F)(F)F)c2)CC1	CHEMBL3980782	=	1.2	2016	CHEMBL3886853
COc1ccc(Oc2nc(Oc3ccc(OC)cc3)nc(N(C)C3(c4ccccc4)CCC(c4ccccc4)(N(C)C)CC3)n2)cc1	CHEMBL3943194	=	2400.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2ccn(C)n2)CC1	CHEMBL3972755	=	63.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2ccn(C)n2)CC1	CHEMBL3972755	=	3730.0	2016	CHEMBL3886853
COc1ccc(C(=O)N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)cc1	CHEMBL3967435	=	10.0	2016	CHEMBL3886853
COc1ccc(C(=O)N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)cc1	CHEMBL3967435	=	1.2	2016	CHEMBL3886853
COc1ccc(CN(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)cc1	CHEMBL3928651	=	435.0	2016	CHEMBL3886853
COc1ccc(CN(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)cc1	CHEMBL3928651	=	1995.0	2016	CHEMBL3886853
CNC1(c2[nH]c3ccccc3c2C)CCC(c2cccc(F)c2)(N(C)C)CC1	CHEMBL3916201	=	155.0	2016	CHEMBL3886853
Cc1c(C2(N3CCCCC3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12	CHEMBL3939293	=	420.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccc(C(F)(F)F)c2)CC1	CHEMBL3914240	=	130.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccc(C(F)(F)F)c2)CC1	CHEMBL3914240	=	1666.67	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2cccc(F)c2)CC1	CHEMBL3889835	=	14.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2cccc(F)c2)CC1	CHEMBL3889835	=	0.35	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccc(F)c2)CC1	CHEMBL3951319	=	39.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CCO)CC1	CHEMBL3899856	=	2900.0	2016	CHEMBL3886853
CN(C)C(=O)CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3937815	=	1425.0	2016	CHEMBL3886853
CNC(=O)CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3906866	=	176.67	2016	CHEMBL3886853
CN(C)C(=O)CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3937815	=	2595.0	2016	CHEMBL3886853
CNC(=O)CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3906866	=	735.0	2016	CHEMBL3886853
Cc1c(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccc(F)cc12	CHEMBL3961206	=	255.0	2016	CHEMBL3886853
CN(C)c1nc(N(C)C)nc(N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)n1	CHEMBL3946171	=	255.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CCCCO)CC1	CHEMBL3972320	=	415.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)CCC(=O)O)CC1	CHEMBL3919376	=	9020.0	2016	CHEMBL3886853
Cc1c(C2(N3CCCC3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccc(F)cc12	CHEMBL3943962	=	1580.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC(O)(c2ccccc2)CC1	CHEMBL3924824	=	1890.0	2016	CHEMBL3886853
Cc1ccc(C2(N(C)C)CCC(O)(c3ccccc3)CC2)cc1	CHEMBL3900292	=	3.0	2016	CHEMBL3886853
CN(C)C1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccccc12	CHEMBL3959398	=	0.6	2015	CHEMBL3886217
CN(C)C1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccccc12	CHEMBL3959398	=	310.0	2015	CHEMBL3886217
CN(C)C1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccccc12	CHEMBL3959398	=	1.3	2015	CHEMBL3886217
CN(C)C1(c2ccccc2)CCC2(CC1)SCCc1c2[nH]c2ccccc12	CHEMBL3980449	=	3.1	2015	CHEMBL3886217
CN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12	CHEMBL3894898	=	0.36	2015	CHEMBL3886217
CN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12	CHEMBL3894898	=	4.5	2015	CHEMBL3886217
CC(=O)N1CCc2c([nH]c3ccccc23)C12CCC(c1ccccc1)(N(C)C)CC2	CHEMBL3919062	=	4.4	2015	CHEMBL3886217
CC(=O)N1CCc2c([nH]c3ccccc23)C12CCC(c1ccccc1)(N(C)C)CC2	CHEMBL3919062	=	2.2	2015	CHEMBL3886217
COc1ccc2[nH]c3c(c2c1)CCOC31CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3924497	=	2.0	2015	CHEMBL3886217
CC1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)O1	CHEMBL3909041	=	12.0	2015	CHEMBL3886217
CC1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)O1	CHEMBL3909041	=	58.0	2015	CHEMBL3886217
CC1Cc2c([nH]c3ccc(Br)cc23)C2(CCC(c3ccccc3)(N(C)C)CC2)O1	CHEMBL3973336	=	14.0	2015	CHEMBL3886217
CC1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)C2(CCC(c3ccccc3)(N(C)C)CC2)O1	CHEMBL3942233	=	6.6	2015	CHEMBL3886217
CC1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)C2(CCC(c3ccccc3)(N(C)C)CC2)O1	CHEMBL3942233	=	25.0	2015	CHEMBL3886217
CN(C)C1(c2ccc(F)cc2)CCC2(CC1)OCCc1c2[nH]c2ccccc12	CHEMBL3909755	=	7.2	2015	CHEMBL3886217
CN(C)C1(c2cccc(F)c2)CCC2(CC1)OCCc1c2[nH]c2ccccc12	CHEMBL3961861	=	2.1	2015	CHEMBL3886217
CN(C)C1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12	CHEMBL3962932	=	1.5	2015	CHEMBL3886217
CN(C)C1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12	CHEMBL3962932	=	12.0	2015	CHEMBL3886217
Cc1ccc2[nH]c3c(c2c1)CCOC31CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3914982	=	2.7	2015	CHEMBL3886217
CNC1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccccc12	CHEMBL3953613	=	1.2	2015	CHEMBL3886217
Cc1ccc2[nH]c3c(c2c1)CCNC31CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3979202	=	15.0	2015	CHEMBL3886217
CN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2[nH]c2cc(F)ccc12	CHEMBL3899983	=	17.0	2015	CHEMBL3886217
CC(=O)N1CCc2c([nH]c3cc(F)ccc23)C12CCC(c1ccccc1)(N(C)C)CC2	CHEMBL3890825	=	1.7	2015	CHEMBL3886217
CC1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)N1	CHEMBL3894557	=	0.5	2015	CHEMBL3886217
CN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccc(F)cc12	CHEMBL3954763	=	0.7	2015	CHEMBL3886217
CC1Cc2c([nH]c3ccc(F)cc23)C2(CCC(c3ccccc3)(N(C)C)CC2)O1	CHEMBL3983394	=	61.0	2015	CHEMBL3886217
Cc1ccc2[nH]c3c(c2c1)CC(C)OC31CCC(c2ccccc2)(N(C)C)CC1	CHEMBL3892273	=	14.0	2015	CHEMBL3886217
CN(C)C1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(Br)cc12	CHEMBL3895920	=	19.0	2015	CHEMBL3886217
CN(C)C1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(O)cc12	CHEMBL3959597	=	1.1	2015	CHEMBL3886217
COC(=O)C1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)N1	CHEMBL3892859	=	2.3	2015	CHEMBL3886217
CN(C)C1(c2ccccc2)CCC2(CC1)NC(CO)Cc1c2[nH]c2ccccc12	CHEMBL3958404	=	2.7	2015	CHEMBL3886217
CNC1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12	CHEMBL3909973	=	6.8	2015	CHEMBL3886217
CN(C)C1(c2ccc(F)cc2)CCC2(CC1)c1sc3ccccc3c1CC[S+]2[O-]	CHEMBL3936891	=	58.0	2015	CHEMBL3886217
CN(C)C1(Cc2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12	CHEMBL3966641	=	0.6	2015	CHEMBL3886217
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4111224	=	4.16	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(N)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4107680	=	2.05	2015	CHEMBL3886452
C=Cc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4115338	=	16.36	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4107906	=	4.41	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccc(-n3ccnc3)cc1)C2	CHEMBL4113804	=	15.83	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc3ccccc3s1)C2	CHEMBL4107470	=	148.85	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc3ccccc3s1)C2	CHEMBL4106544	=	49.98	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(-n4ccnc4)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4115091	=	36.46	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc(C)ns1)C2	CHEMBL4111378	=	116.06	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL3916122	=	1.52	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(-n4ccnc4)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4110639	=	0.93	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc(C)ns1)C2	CHEMBL4110417	=	1544.07	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nncs1)C2	CHEMBL4113984	=	3386.17	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nncs1)C2	CHEMBL4108301	=	188.28	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4108017	=	17.42	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NS(C)(=O)=O)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4111233	=	20.74	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NC(C)=O)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4110440	=	132.97	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4112656	=	20.7	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(Br)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109652	=	49.26	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4107210	=	146.95	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4114477	=	17.25	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1)[C@H]2O5	CHEMBL4111231	=	1.33	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(=O)O)c5c4[C@@]3(CCN1C)[C@H]2O5	CHEMBL4109258	=	54.23	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1c(C)noc1C)C2	CHEMBL4114002	=	304.17	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1cc4ccccc4s1)[C@H]1Cc4ccc(OCCO)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4106985	=	6.29	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1c(C)noc1C)C2	CHEMBL4112472	=	92.69	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1CNCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4112358	=	37.54	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNCc1ccccc1)C2	CHEMBL4113058	=	9.01	2015	CHEMBL3886452
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	=	19.39	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CN(Cc1ccccc1)C(C)=O)C2	CHEMBL4112771	=	11.79	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSCc1ccccc1)C2	CHEMBL4107918	=	4.69	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	=	14.02	2015	CHEMBL3886452
COCCOCCOCCOC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5	CHEMBL4113830	=	51.1	2015	CHEMBL3886452
COCCOCCOCCOCCOCCOC[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5	CHEMBL4106700	=	215.94	2015	CHEMBL3886452
COCCOCCOCCOc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4111124	=	6.72	2015	CHEMBL3886452
COCCOCCOCCOCCOCCOc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4110312	=	26.92	2015	CHEMBL3886452
COCCOCCOCCOc1ccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1	CHEMBL4109389	=	87.86	2015	CHEMBL3886452
COCCOCCOCCOCCOCCOc1ccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1	CHEMBL4115652	=	135.49	2015	CHEMBL3886452
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	=	19.04	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(OCC(=O)O)cc1)C2	CHEMBL4111244	=	544.71	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CCC(N)=O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4112155	=	383.41	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNCC(=O)O)C2	CHEMBL4111763	=	349.03	2015	CHEMBL3886452
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	=	308.21	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNCC(N)=O)C2	CHEMBL4114486	=	55.53	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC(N)=O)C2	CHEMBL4115536	=	210.34	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(CC(=O)O)cc1)C2	CHEMBL4115119	=	1005.26	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(O)CO)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109818	=	154.5	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(NC(N)=O)c1)C2	CHEMBL4111717	=	29.33	2015	CHEMBL3886452
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	=	14.29	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(NCC(=O)O)c1)C2	CHEMBL4107681	=	83.27	2015	CHEMBL3886452
COc1ccc2c3c1O[C@H]1[C@@]4(c5ccccc5)CC[C@@]5(C[C@@H]4COCc4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315	CHEMBL4110146	=	13.09	2015	CHEMBL3886452
COCCOCCOCCOCCOCCO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109267	=	14.98	2015	CHEMBL3886452
COCCOCCOCCO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109653	=	7.79	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(Cc3nn[nH]n3)cc1)C2	CHEMBL4111263	=	1774.64	2015	CHEMBL3886452
CCCc1cc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(C)[C@@H]4C6)on1	CHEMBL4107537	=	32.04	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CCC(=O)O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4114011	=	849.99	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC(=O)O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4114882	=	312.15	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC(N)=O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4106487	=	176.92	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCC(=O)O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109778	=	163.53	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCc5nn[nH]n5)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109142	=	20.39	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCC(N)=O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109061	=	8.69	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(CC(O)CO)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4114584	=	261.23	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(C)(C)OCc1ccccc1)C2	CHEMBL4112287	=	1.76	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(C(=N)N)c1)C2	CHEMBL4110056	=	35.79	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	=	7.29	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCC(O)CO)C2	CHEMBL4113221	=	341.38	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4109954	=	82.53	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(-c5nn[nH]n5)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4108808	=	338.89	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(=O)O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4114523	=	1102.05	2015	CHEMBL3886452
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	=	1.17	2015	CHEMBL3886452
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5	CHEMBL4106746	=	0.34	2015	CHEMBL3886452
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	=	147.99	2015	CHEMBL3886452
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	=	361.75	2015	CHEMBL3886452
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	=	60.13	2015	CHEMBL3886452
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	=	5.42	2015	CHEMBL3886452
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	=	189.66	2015	CHEMBL3886452
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	=	7.65	2015	CHEMBL3886452
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	=	169.53	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	=	0.19	2015	CHEMBL3886452
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	=	0.15	2015	CHEMBL3886452
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	=	1.4	2015	CHEMBL3886452
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	=	15.09	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)[C@@H]2CC#N	CHEMBL4114384	=	60.54	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)[C@@H]2CCC(=O)O	CHEMBL3956140	=	926.92	2015	CHEMBL3886452
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	=	24.41	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(O)[C@@H](COCc1ccccc1)C2	CHEMBL4106722	=	3.32	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(NC(C)=O)cc1)C2	CHEMBL4106647	=	155.62	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(Cc3nn[nH]n3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2	CHEMBL4113890	=	985.95	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(CC(=O)O)c1)C2	CHEMBL4112393	=	497.73	2015	CHEMBL3886452
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(O)CO)cc1)C2	CHEMBL4109220	=	54.83	2015	CHEMBL3886452
N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](CO)N1	CHEMBL210665	=	13470.0	2014	CHEMBL3886144
CC(C)(C)OC(=O)N1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1	CHEMBL3695216	=	3869.0	2014	CHEMBL3886144
O=c1c(NCC(O)CO)nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1	CHEMBL3695217	=	394.3	2014	CHEMBL3886144
NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695218	=	819.0	2014	CHEMBL3886144
O=C(O)C1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3695219	=	1670.0	2014	CHEMBL3886144
N[C@@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3695221	=	590.0	2014	CHEMBL3886144
NC(=O)[C@H](CO)Nc1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695222	=	12100.0	2014	CHEMBL3886144
O=C(O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695224	=	1172.0	2014	CHEMBL3886144
O=C(O)Cc1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695228	=	12825.0	2014	CHEMBL3886144
O=C(O)CC1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3695229	=	2510.0	2014	CHEMBL3886144
O=C(O)[C@@H](CO)Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695230	=	770.0	2014	CHEMBL3886144
O=C1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)N1	CHEMBL3695234	=	3330.0	2014	CHEMBL3886144
COc1ccc(NC(=O)c2nc3ccccc3n([C@]3(C)C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cn1	CHEMBL3695235	=	210.0	2014	CHEMBL3886144
CONC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695236	=	743.0	2014	CHEMBL3886144
O=C(Nc1ccc(=O)[nH]c1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695237	=	373.7	2014	CHEMBL3886144
COc1ccc(NC(=O)c2nc3ccccc3n([C@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cn1	CHEMBL3695238	=	2700.0	2014	CHEMBL3886144
O=C(Nc1ccc(=O)[nH]c1)c1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695239	=	9840.0	2014	CHEMBL3886144
O=C(NCC(O)CO)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695240	=	391.0	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
O=C(NO)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695242	=	188.0	2014	CHEMBL3886144
C[C@@]12CC[C@@H](C[C@@H](n3c(=O)c(C(=O)NCC(=O)O)nc4ccccc43)C1)N2C1CCCCCCC1	CHEMBL3695243	=	488.0	2014	CHEMBL3886144
O=C(NC(CO)C(=O)O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695244	=	462.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC(CC(C4)C2)C3)c1=O	CHEMBL3695245	=	1320.0	2014	CHEMBL3886144
O=C(O)CNCCNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3639941	=	3200.0	2014	CHEMBL3886144
O=C(O)CN(CCNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)CC(=O)O	CHEMBL3695249	=	1083.0	2014	CHEMBL3886144
O=C(O)[C@@H](Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)c1ccccc1	CHEMBL3695251	=	1300.0	2014	CHEMBL3886144
O=C(O)[C@H](Cc1ccccc1)Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695252	=	377.0	2014	CHEMBL3886144
O=C(O)C1(O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3695253	=	723.0	2014	CHEMBL3886144
O=C1NC(=O)C2(CCN(c3nc4ccccc4n([C@@H]4C[C@@H]5CC[C@H](C4)N5C4CCCCCCC4)c3=O)CC2)N1	CHEMBL3695254	=	644.2	2014	CHEMBL3886144
O=C(O)C1CCN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3939135	=	713.0	2014	CHEMBL3886144
O=C(O)CNC(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695255	=	1990.0	2014	CHEMBL3886144
NC1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3695256	=	6100.0	2014	CHEMBL3886144
O=C1CN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CCN1	CHEMBL3698861	=	1140.0	2014	CHEMBL3886144
O=C(O)C(CO)NCCNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698862	=	2530.0	2014	CHEMBL3886144
CC(=O)NC1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3698863	=	3920.0	2014	CHEMBL3886144
O=C(O)C1(O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3698864	=	5200.0	2014	CHEMBL3886144
NC(=O)CN(CCNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)CC(=O)O	CHEMBL3698865	=	10900.0	2014	CHEMBL3886144
CC(C)(Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O	CHEMBL3698866	=	8900.0	2014	CHEMBL3886144
O=C(O)C1(Nc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CCCCC1	CHEMBL3698867	>	20000.0	2014	CHEMBL3886144
O=C(O)N1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1=O	CHEMBL3698868	=	1600.0	2014	CHEMBL3886144
O=C(O)CN1CC2CN(c3nc4ccccc4n([C@@H]4C[C@@H]5CC[C@H](C4)N5C4CCCCCCC4)c3=O)CC2C1	CHEMBL3698869	=	2250.0	2014	CHEMBL3886144
O=C(O)C1CCCN1C(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698870	=	1470.0	2014	CHEMBL3886144
O=C(O)C(=O)N1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1	CHEMBL3698872	=	2918.0	2014	CHEMBL3886144
O=C(O)CC1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3698873	=	4700.0	2014	CHEMBL3886144
NC1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3698874	=	2807.0	2014	CHEMBL3886144
O=C(O)CN(CCO)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698876	=	11942.0	2014	CHEMBL3886144
CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698877	=	480.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698878	=	679.0	2014	CHEMBL3886144
CC(C)C1CCC(N2[C@H]3CC[C@@H]2C[C@H](n2c(=O)c(C(=O)O)nc4ccccc42)C3)CC1	CHEMBL3698879	=	5300.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@H]2C[C@H]3COC[C@@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698882	=	46010.0	2014	CHEMBL3886144
CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698884	=	459.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC(CC(C4)C2)C3)c1=O	CHEMBL3695245	=	10970.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2Cc3cccc4cccc2c34)c1=O	CHEMBL3698889	=	2660.0	2014	CHEMBL3886144
CC1(N2CCC(n3c(=O)c(C(=O)O)nc4ccccc43)CC2)CCCCCCC1	CHEMBL3698890	=	14300.0	2014	CHEMBL3886144
CC12CC3CC(C)(C1)CC(N1[C@H]4CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc5ccccc51)C4)(C3)C2	CHEMBL3698892	=	679.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CC4CC(CC(C4)C2)C3)c1=O	CHEMBL3698893	=	39554.0	2014	CHEMBL3886144
CCC1(N2CCC(n3c(=O)c(C(=O)O)nc4ccccc43)CC2)CCCCCCC1	CHEMBL3889570	=	16252.0	2014	CHEMBL3886144
CCCC1(N2CCC(n3c(=O)c(C(=O)O)nc4ccccc43)CC2)CCCCCCC1	CHEMBL3698894	=	57791.0	2014	CHEMBL3886144
O=C(O)N[C@@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3698895	=	16913.0	2014	CHEMBL3886144
O=C(O)c1ccncc1Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698896	=	1445.0	2014	CHEMBL3886144
CN(C(=O)O)[C@@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3698897	=	8927.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CC4CC(CC(C4)C2)C3)c1=O	CHEMBL3698893	=	17180.0	2014	CHEMBL3886144
CC12CC3CC(C)(C1)CC(N1[C@H]4CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc5ccccc51)C4)(C3)C2	CHEMBL3698892	=	4750.0	2014	CHEMBL3886144
CC(C)(C)CC(C)(C)N1[C@H]2CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2	CHEMBL3698898	>	20000.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCCCC2)c1=O	CHEMBL3698899	=	2060.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCCC2)c1=O	CHEMBL3698900	=	699.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2C3CCCC2CCC3)c1=O	CHEMBL3698901	=	3429.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCC2)c1=O	CHEMBL3698902	=	709.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2C3CCCC2CCC3)c1=O	CHEMBL3698903	=	1029.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCC2)c1=O	CHEMBL3698904	=	396.0	2014	CHEMBL3886144
O=C(NC(Cc1c[nH]cn1)C(=O)O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698906	=	368.0	2014	CHEMBL3886144
O=C(NC(Cc1ccccc1)C(=O)O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698907	=	307.1	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O	CHEMBL3647963	=	1436.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647958	=	1631.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647958	=	4032.0	2014	CHEMBL3886144
CN(C)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698834	=	2053.0	2014	CHEMBL3886144
O=c1c(NCCO)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698835	=	17060.0	2014	CHEMBL3886144
O=c1c(N2CC3CNCC3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698836	=	4340.0	2014	CHEMBL3886144
O=c1c(NCc2ccccc2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698837	=	1145.0	2014	CHEMBL3886144
CC(C)(C)OC(=O)NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698838	=	1074.0	2014	CHEMBL3886144
CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3698839	=	1634.0	2014	CHEMBL3886144
NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698840	=	1397.0	2014	CHEMBL3886144
O=c1c(N2CCNCC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698841	=	1480.0	2014	CHEMBL3886144
CS(=O)(=O)NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698842	=	1530.0	2014	CHEMBL3886144
CN1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1	CHEMBL3698843	=	2391.0	2014	CHEMBL3886144
CC(=O)N1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1	CHEMBL3698844	=	3278.0	2014	CHEMBL3886144
CC(C)(C)OC(=O)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698845	=	3157.0	2014	CHEMBL3886144
Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698846	=	1199.0	2014	CHEMBL3886144
COC(=O)C1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695257	=	2313.0	2014	CHEMBL3886144
CC(=O)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698847	=	5254.0	2014	CHEMBL3886144
O=C1CN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CCN1	CHEMBL3698848	=	2078.0	2014	CHEMBL3886144
O=c1c(N2Cc3ccccc3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698849	=	26627.0	2014	CHEMBL3886144
CC(C)(C)OC(=O)NC1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695259	=	3396.0	2014	CHEMBL3886144
NC1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695260	=	3037.0	2014	CHEMBL3886144
CC(=O)NC1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695261	=	3942.0	2014	CHEMBL3886144
C=CCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698850	=	5281.0	2014	CHEMBL3886144
O=c1c(NCC(O)CO)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698851	=	5979.0	2014	CHEMBL3886144
N=C(N)NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695262	=	629.0	2014	CHEMBL3886144
COC(=O)[C@@H]1CCCN1c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695263	=	2438.0	2014	CHEMBL3886144
COC(=O)[C@@H]1C[C@@H](O)CN1c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695264	=	5244.0	2014	CHEMBL3886144
NC(=O)C1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695265	=	3780.0	2014	CHEMBL3886144
CS(=O)(=O)NC1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695266	=	1895.0	2014	CHEMBL3886144
O=c1c(NC2CCNCC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3695267	=	1488.0	2014	CHEMBL3886144
NC(=O)CNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695268	=	6403.0	2014	CHEMBL3886144
NC(=O)[C@H](CO)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695269	=	3341.0	2014	CHEMBL3886144
COc1ccc(Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)cn1	CHEMBL3695270	=	627.0	2014	CHEMBL3886144
CC(=O)N[C@@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1	CHEMBL3695271	=	2064.0	2014	CHEMBL3886144
O=c1c(N2CCc3ccccc32)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3695272	=	1451.0	2014	CHEMBL3886144
N[C@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1	CHEMBL3695273	=	624.0	2014	CHEMBL3886144
NC(=O)[C@@H]1CCCN1c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695276	=	1866.0	2014	CHEMBL3886144
O=c1c(N2CCc3ccccc3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3695277	=	809.0	2014	CHEMBL3886144
COC(=O)c1ccc2c(c1)CN(c1nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c1=O)CC2	CHEMBL3695278	=	513.0	2014	CHEMBL3886144
O=c1ccc(Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)c[nH]1	CHEMBL3695279	=	3986.0	2014	CHEMBL3886144
COC(=O)C(CO)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695280	=	1414.0	2014	CHEMBL3886144
NC(=O)CCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3695281	=	2368.0	2014	CHEMBL3886144
CC(=O)N1CCC(Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695283	=	1345.0	2014	CHEMBL3886144
CS(=O)(=O)N1CCC(Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CC1	CHEMBL3695284	=	634.0	2014	CHEMBL3886144
N[C@@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1	CHEMBL3695285	=	512.0	2014	CHEMBL3886144
O=c1c(N2CCC(O)CC2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3695286	=	3557.0	2014	CHEMBL3886144
O=c1c(NC[C@@H](O)CO)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3695288	=	5414.0	2014	CHEMBL3886144
O=c1c(NC[C@H](O)CO)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698750	=	2109.0	2014	CHEMBL3886144
O=C(O)[C@H](CO)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698751	=	5056.0	2014	CHEMBL3886144
CCOC(=O)CNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698752	=	1360.0	2014	CHEMBL3886144
NCC(O)CNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698753	=	524.0	2014	CHEMBL3886144
CC(=O)N[C@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1	CHEMBL3698754	=	3183.0	2014	CHEMBL3886144
NC(=O)C1CCCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1	CHEMBL3698755	=	6657.0	2014	CHEMBL3886144
CCOC(=O)CN(C)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698756	=	4412.0	2014	CHEMBL3886144
NC(=O)CNc1nc2ccccc2n(C2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1=O	CHEMBL3698759	=	9284.0	2014	CHEMBL3886144
CN(CC(O)CO)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698760	=	3642.0	2014	CHEMBL3886144
CS(=O)(=O)N[C@@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1	CHEMBL3698761	=	1523.0	2014	CHEMBL3886144
O=c1c(NC(CO)CO)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698762	=	3296.0	2014	CHEMBL3886144
O=c1c(N2CC[C@H](O)C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698763	=	6155.0	2014	CHEMBL3886144
COc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698764	=	248.0	2014	CHEMBL3886144
CCOC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698852	=	2511.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698853	=	7426.0	2014	CHEMBL3886144
CC(C)(C)OC(=O)N1CC2CN(C(=O)c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1	CHEMBL3698854	=	887.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698765	=	678.0	2014	CHEMBL3886144
NC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698768	=	1239.0	2014	CHEMBL3886144
CNC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698769	=	1723.0	2014	CHEMBL3886144
O=C(NCC(O)CO)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698770	=	2727.0	2014	CHEMBL3886144
COc1ccc(NC(=O)c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)cn1	CHEMBL3698771	=	871.0	2014	CHEMBL3886144
CN(C)C(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698772	=	2787.0	2014	CHEMBL3886144
O=C(Nc1ccc(=O)[nH]c1)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698773	=	2144.0	2014	CHEMBL3886144
CONC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698774	=	1918.0	2014	CHEMBL3886144
O=C(NOCc1ccccc1)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698775	=	1914.0	2014	CHEMBL3886144
O=C1CNc2ccccc2N1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698856	=	4089.0	2014	CHEMBL3886144
O=C1CN(C2CCN(C3CCCCCCC3)CC2)c2ccccc2N1	CHEMBL3698857	=	6758.0	2014	CHEMBL3886144
N#Cc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698776	=	1663.0	2014	CHEMBL3886144
O=c1c(NC[C@@H](O)CO)nc2ccccc2n1C1CCN(C23CC4CC(CC(C4)C2)C3)CC1	CHEMBL3698777	=	10180.0	2014	CHEMBL3886144
NC(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698778	=	459.3	2014	CHEMBL3886144
O=c1c(NCC(O)CO)nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1	CHEMBL3695217	=	394.3	2014	CHEMBL3886144
O=c1c(N2CC[C@@H](O)C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698779	=	4650.0	2014	CHEMBL3886144
NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3695218	=	819.0	2014	CHEMBL3886144
O=C(NO)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O	CHEMBL3698781	=	5570.0	2014	CHEMBL3886144
O=c1c(N2CC3CNCC3C2)nc2ncccc2n1C1CCN(C2CCCCCCC2)CC1	CHEMBL3698858	=	196.0	2014	CHEMBL3886144
O=c1c(NC[C@@H](O)CO)nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1	CHEMBL3698782	=	576.0	2014	CHEMBL3886144
NC(=O)CNc1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698783	=	6700.0	2014	CHEMBL3886144
O=C(O)c1nc2ccc(F)cc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698785	=	1217.0	2014	CHEMBL3886144
O=C(O)CN1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3698786	=	706.0	2014	CHEMBL3886144
O=C(O)c1cccc(CNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)c1	CHEMBL3698787	=	4420.0	2014	CHEMBL3886144
O=C(O)C1CCCN1C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698788	=	1458.0	2014	CHEMBL3886144
CN(CC(=O)O)C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698789	=	1375.0	2014	CHEMBL3886144
CC(C)(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O	CHEMBL3698790	=	60.2	2014	CHEMBL3886144
CSCCC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O	CHEMBL3698791	=	784.0	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	=	770.0	2014	CHEMBL3886144
O=C(N[C@H](C(=O)O)c1ccccc1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698793	=	400.0	2014	CHEMBL3886144
CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O	CHEMBL3698794	=	263.0	2014	CHEMBL3886144
CC(C)CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O	CHEMBL3698795	=	452.0	2014	CHEMBL3886144
O=C(O)c1ccc(CNC(=O)c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cc1	CHEMBL3698796	=	1792.0	2014	CHEMBL3886144
O=C(NCc1nn[nH]n1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O	CHEMBL3698798	=	1160.0	2014	CHEMBL3886144
O=C(O)c1ccc(CNC(=O)c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)nc1	CHEMBL3698799	=	1930.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC(CC2C4)C3)c1=O	CHEMBL3698801	=	1865.0	2014	CHEMBL3886144
CCC(C#CC(C)(C)C)N1[C@H]2CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2	CHEMBL3698804	=	2800.0	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	=	10098.0	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	=	37211.0	2014	CHEMBL3886144
CN(C)C1(C(=O)O)CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1	CHEMBL3698809	=	3877.0	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	=	7122.0	2014	CHEMBL3886144
CC1(N2[C@H]3CCC[C@@H]2C[C@H](n2c(=O)c(C(=O)O)nc4ccccc42)C3)CCCCCCC1	CHEMBL3698813	>	20000.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2/C=C\CCCCC2)c1=O	CHEMBL3698814	=	3291.0	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	=	443.0	2014	CHEMBL3886144
CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C(C)CCC(C)C)c1=O	CHEMBL3698817	=	487.0	2014	CHEMBL3886144
CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C(C)CC(C)C)c1=O	CHEMBL3698818	=	160.0	2014	CHEMBL3886144
CC(C)CCC(C)N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2	CHEMBL3698819	=	664.0	2014	CHEMBL3886144
CC(C)CC(C)N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2	CHEMBL3698820	=	397.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O	CHEMBL3647961	=	1862.0	2014	CHEMBL3886144
CN(CC(=O)O)[C@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CCC[C@H](C3)N4C3CCCCCCC3)c2=O)C1	CHEMBL3698821	=	689.0	2014	CHEMBL3886144
CCOC(=O)c1nc2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C/C=C2\CCC3CC2C3(C)C)c1=O	CHEMBL3984664	=	292.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CCC(CC2)C3)c1=O	CHEMBL3698823	=	5490.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O	CHEMBL3647963	=	1436.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O	CHEMBL3647960	=	1600.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCCC[C@H](C2)N3C2/C=C\CCCCC2)c1=O	CHEMBL3698825	=	407.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647959	=	3825.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647959	=	4450.0	2014	CHEMBL3886144
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2C3CC4CC(C3)CC2C4)c1=O	CHEMBL3698826	=	14374.0	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	=	670.0	2014	CHEMBL3886144
CC(C)CC(C)N1[C@H]2CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2	CHEMBL3698828	=	1759.0	2014	CHEMBL3886144
O=C(O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL3890527	=	6.18	2016	CHEMBL3886801
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)C1[C@@H](O)[C@H](OCc1ccccc1)C(=O)C3	CHEMBL4115581	=	668.0	2016	CHEMBL3886801
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](CCO)C(=O)C3	CHEMBL3922780	=	591.0	2016	CHEMBL3886801
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](CCOCc1ccccc1)C(=O)C3	CHEMBL4106563	=	222.8	2016	CHEMBL3886801
COCC[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL3932459	=	1959.0	2016	CHEMBL3886801
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1C[C@@H](C(C)C)C(=O)C3	CHEMBL3976681	=	476.0	2016	CHEMBL3886801
CC(C)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL3948713	=	1.98	2016	CHEMBL3886801
CC(C)[C@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O	CHEMBL4111936	=	7.42	2016	CHEMBL3886801
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O	CHEMBL3647963	=	1436.0	2015	CHEMBL3886266
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O	CHEMBL3647960	=	1600.0	2015	CHEMBL3886266
O=C(O)c1nc2ccccc2n(C2CC3CCC(C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3906430	=	3825.0	2015	CHEMBL3886266
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647959	=	4450.0	2015	CHEMBL3886266
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O	CHEMBL3647958	=	1631.0	2015	CHEMBL3886266
N[C@]12CCC[C@H](C[C@H](n3c(=O)c(C(=O)O)nc4ccccc43)C1)N2C1CC2CCCC(C2)C1	CHEMBL4114883	=	4032.0	2015	CHEMBL3886266
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	=	61.6	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	=	49.88	2015	CHEMBL3886333
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	=	77.05	2015	CHEMBL3886333
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	=	278.49	2015	CHEMBL3886333
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	=	122.72	2015	CHEMBL3886333
CO[C@H]1C=CC2C3Cc4ccc(O)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3923831	=	8.44	2016	CHEMBL3886551
COCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4110373	=	15.72	2016	CHEMBL3886551
COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4107642	=	21.97	2016	CHEMBL3886551
COCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4112562	=	50.66	2016	CHEMBL3886551
COCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4106506	=	23.11	2016	CHEMBL3886551
COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4108649	=	39.4	2016	CHEMBL3886551
COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4112722	=	72.98	2016	CHEMBL3886551
COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4110642	=	56.86	2016	CHEMBL3886551
COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4108525	=	111.05	2016	CHEMBL3886551
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314	CHEMBL656	=	133.48	2016	CHEMBL3886551
COCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4110656	=	653.9	2016	CHEMBL3886551
COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4112234	=	631.76	2016	CHEMBL3886551
COCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4111500	=	775.19	2016	CHEMBL3886551
COCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4112727	=	892.7	2016	CHEMBL3886551
COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4108425	=	1862.14	2016	CHEMBL3886551
COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4109078	=	1898.3	2016	CHEMBL3886551
COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4114370	=	1607.19	2016	CHEMBL3886551
COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5	CHEMBL4108254	=	3616.6	2016	CHEMBL3886551
COc1ccc2c3c1O[C@H]1[C@@H](O)C=CC4[C@@H](C2)N(C)CC[C@@]341	CHEMBL2448883	=	1953.0	2016	CHEMBL3886551
COCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3895828	=	1821.51	2016	CHEMBL3886551
COCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3937789	=	1383.07	2016	CHEMBL3886551
COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3934684	=	4260.21	2016	CHEMBL3886551
COCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3967811	=	2891.36	2016	CHEMBL3886551
COCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3933053	=	2427.13	2016	CHEMBL3886551
COCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3956767	=	14202.77	2016	CHEMBL3886551
COCCOCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3984515	=	9963.93	2016	CHEMBL3886551
COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1O5	CHEMBL3911284	=	9975.84	2016	CHEMBL3886551
Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314	CHEMBL895	=	14.31	2016	CHEMBL3886551
COCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5	CHEMBL3954154	=	27.41	2016	CHEMBL3886551
COCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5	CHEMBL3973162	=	17.54	2016	CHEMBL3886551
COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5	CHEMBL3901176	=	35.09	2016	CHEMBL3886551
COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5	CHEMBL3947626	=	44.28	2016	CHEMBL3886551
COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5	CHEMBL3966308	=	77.94	2016	CHEMBL3886551
COCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5	CHEMBL3953339	=	79.55	2016	CHEMBL3886551
COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)C1O5	CHEMBL3919846	=	122.3	2016	CHEMBL3886551
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	=	0.3	2016	CHEMBL3886656
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	=	0.45	2016	CHEMBL3886656
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	=	0.35	2016	CHEMBL3886656
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	=	0.54	2016	CHEMBL3886656
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	=	2.26	2016	CHEMBL3886656
C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(N)=O)c(O)c4[C@@]2(CCN3CC2CCC2)C1	CHEMBL4108846	=	0.11	2015	CHEMBL3886239
C=C1CC[C@H]2[C@H]3Cc4ccc(C(N)=O)c(O)c4[C@@]2(CCN3CC2CCC2)C1	CHEMBL3948892	=	0.097	2015	CHEMBL3886239
NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1CC[C@H](O)C3	CHEMBL3986245	=	0.22	2015	CHEMBL3886239
NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1CCC(=O)C3	CHEMBL3954177	=	0.097	2015	CHEMBL3886239
NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3	CHEMBL3983967	=	0.12	2015	CHEMBL3886239
NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1CC[C@@H](O)C3	CHEMBL4114524	=	0.13	2015	CHEMBL3886239
CC(C)=CCN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13	CHEMBL4114677	=	0.56	2015	CHEMBL3886239
C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(N)=O)c(O)c4[C@@]2(CCN3CC=C(C)C)C1	CHEMBL4114707	=	0.5	2015	CHEMBL3886239
C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC1CCC1	CHEMBL3903900	=	0.19	2015	CHEMBL3886239
CC(C)=CCN1CC[C@@]2(C)c3cc(C(N)=O)ccc3C[C@@H]1[C@@H]2C	CHEMBL461227	=	2.1	2015	CHEMBL3886239
NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CCC(=O)C3	CHEMBL370029	=	0.16	2015	CHEMBL3886239
NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CC[C@H](O)C3	CHEMBL512150	=	0.59	2015	CHEMBL3886239
NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CC[C@@H](O)C3	CHEMBL511645	=	0.1	2015	CHEMBL3886239
CC1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2[C@H](C)C1CC1	CHEMBL4110274	=	0.1	2015	CHEMBL3886239
CC1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2[C@@H](C)C1CC1	CHEMBL3971916	=	22.0	2015	CHEMBL3886239
CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC1(C)CC1	CHEMBL4109400	=	0.82	2015	CHEMBL3886239
CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O	CHEMBL4113472	=	4.6	2015	CHEMBL3886239
COCCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C	CHEMBL3958318	=	0.11	2015	CHEMBL3886239
CC1C2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC1(C)CC1	CHEMBL4108042	=	1.2	2015	CHEMBL3886239
C[C@H]1[C@H]2Cc3ccc(C(=O)NCCc4ccc(-c5ccc(O)nc5)cc4)cc3[C@@]1(C)CCN2CC1CC1	CHEMBL3977887	=	0.68	2015	CHEMBL3886239
C[C@H]1[C@H]2Cc3ccc(C(=O)NCCc4ccc(-c5cn[nH]c5)cc4)cc3[C@@]1(C)CCN2CC1CC1	CHEMBL3928839	=	0.27	2015	CHEMBL3886239
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6cccnc6)cc5)c(O)c4[C@@]2(CCN3CC2CC2)C1	CHEMBL4106879	=	0.37	2015	CHEMBL3886239
C[C@@]12CCCCC[C@@H](Cc3ccc(C(N)=O)cc31)[C@@H]2N	CHEMBL3919938	=	2.3	2015	CHEMBL3886239
C[C@@]12CCCCC[C@@H](Cc3ccc(C(N)=O)cc31)[C@@H]2N	CHEMBL3919938	=	3.0	2015	CHEMBL3886239
CN1CC[C@]23c4cccc(C(N)=O)c4O[C@H]2CCC[C@H]3C1	CHEMBL3972934	=	23.0	2015	CHEMBL3886239
CCCCCCN1CCC(C(=O)N(C)CC)(c2cccc(O)c2)CC1	CHEMBL3946804	=	4.4	2015	CHEMBL3886239
CC1C2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC1(C)CC1	CHEMBL4108042	=	1.2	2015	CHEMBL3886239
C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)cc13	CHEMBL4114285	=	0.083	2015	CHEMBL3886239
C[C@@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13	CHEMBL3895359	=	0.14	2015	CHEMBL3886239
C[C@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13	CHEMBL4108566	=	5.8	2015	CHEMBL3886239
C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13	CHEMBL4115016	=	1.2	2015	CHEMBL3886239
COCCN1CC[C@@]2(C)c3cc(C(N)=O)ccc3C[C@@H]1[C@@H]2C	CHEMBL3911427	=	0.12	2015	CHEMBL3886239
NC(=O)c1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3	CHEMBL4114055	=	0.098	2015	CHEMBL3886239
NC(=O)c1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CC1)CC3	CHEMBL4108288	=	0.1	2015	CHEMBL3886239
C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2C[C@H]1CCCO1	CHEMBL3939227	=	0.05	2015	CHEMBL3886239
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5	CHEMBL70	=	0.32	2015	CHEMBL3886239
Oc1ccc2c3c1OC1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314	CHEMBL3039334	=	1.3	2015	CHEMBL3886239
CO[C@@H]1C([C@](C)(O)C(C)(C)C)[C@H]2CC[C@@]13Oc1c(O)ccc4c1[C@@]31CCN(CC3CC3)[C@H](C4)C21	CHEMBL3917891	=	0.41	2015	CHEMBL3886239