Compound Name

SMILES String

C1CC(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12

C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12

C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 |r|

C1CN(CCN1)c1ccc(nc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12

C(C#Cc1cnc2c(cnn2c1)-c1ccnc2ccccc12)N1CCNCC1

C1CN(CCN1)c1ncc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12

C1N[C@H]2C[C@@H]1N(C2)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 |r|

C1CN(CCN1)c1cnc(s1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12

Clc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1

Cc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1

C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12 |r|

Cc1cc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc2n1

Cc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)C2CCNCC2)c2ccccc2n1

OCCNCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1 |$;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|

OCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1

CNCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1 |$;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|

CN(C)Cc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1

NCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1

C(N1CCCC1)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1

OC(=O)c1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1

NC(=O)c1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1

OCc1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1

NCc1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1

CC(=O)Nc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1

Nc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1

Oc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1

C(CN1CCCCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 |r|

C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|

Clc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12

Clc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12

N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

Fc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12

Fc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

C(CN1CCCCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cn1

Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCNCC2)cn1

CN1CCN(CCOc2ccc(nc2)-c2cnc3c(cnn3c2)-c2cccc3ncccc23)CC1

C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|

C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2nc(C)ccc12 |r|

C(CN1CCOCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cn1

CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2nc(C)ccc12

C1CC(CCN1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OC2CCNCC2)cn1

C1C[C@H](CN1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|

C1C[C@@H](CN1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|

CC(O)CNC(=O)c1cnccc1Nc1nc(ccc1C(C)C)-c1cc(Cl)ccc1F

C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|

C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)C)-c1cc(Cl)ccc1F |r|

C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|

C[C@H](O)CNC(=O)c1cncnc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|

CC(C)c1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F |r|

CC[C@H](O)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|

C[C@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|

CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC(C)(C)CO)-c1cc(Cl)ccc1F

CCc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|

C[C@H](O)CNC(=O)c1cncnc1Nc1cc(ncc1C(C)C)-c1cc(Cl)ccc1F |r|

COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|

CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNC(C)=O)-c1cc(Cl)ccc1F

CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(N)=O)-c1cc(Cl)ccc1F

C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1N(C)C)-c1cc(Cl)ccc1F |r|

COC(C)(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(C)O)-c1cc(Cl)ccc1F

CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNS(C)(=O)=O)-c1cc(Cl)ccc1F

CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNC(=O)OC(C)(C)C)-c1cc(Cl)ccc1F

C[C@H](O)CNC(=O)c1c[nH]nc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|

C[C@H](O)CNC(=O)c1c[nH]nc1Nc1cc(ncc1C(C)C)-c1cc(Cl)ccc1F |r|

CC(C)c1cnc(cc1Nc1ccncc1C(=O)NC(CO)CO)-c1cc(Cl)ccc1F

COC(=O)c1cnccc1Nc1cc(nc(NC(=O)OC(C)(C)C)c1C(C)=C)-c1cc(Cl)ccc1F

CC[C@@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|

CC(C)[C@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|

CC(C)[C@@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|

CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NCCO)-c1cc(Cl)ccc1F

CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F

CC(O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)C)-c1ccccc1

CC(C)c1cnc(cc1Nc1ccnc2[nH]ccc12)-c1ncccc1F

CC(C)c1cnc(cc1Nc1ncnc2[nH]ccc12)-c1ncccc1F

C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C1CC1)-c1cc(Cl)ccc1F |r|

Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3[nH]ccc23)c(cn1)C1CC1

OCC(CO)NC(=O)c1cnccc1Nc1cc(ncc1N1CCCC1)-c1cc(Cl)ccc1F

CC(=C)c1cnc(cc1Nc1ccncc1C(=O)N1CCCC1)-c1cc(Cl)ccc1F

CC(C)c1cnc(cc1Nc1ncnc2[nH]ccc12)-c1cc(Cl)ccc1F

CC(C)c1cnc(cc1Nc1ncnc2[nH]ncc12)-c1cc(Cl)ccc1F

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

C(CN1CCNCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5

c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6

C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12

COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1

O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

CC=Cc1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F |w:1.0|

CC(CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F

C[C@H](O)CNC(=O)c1cnccc1Nc1cc(nc(N)c1C(C)=C)-c1cc(Cl)ccc1F

C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)C)-c1ccccc1

CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCN)-c1cc(Cl)ccc1F

Cc1cc(-c2cnn3cc(cnc23)N2CCC(CC2)N2CCOCC2)c2ccccc2n1

CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12

COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1

Cc1cc(-c2cnn3cc(cnc23)N2CCN(CC2)C2CCNCC2)c2ccccc2n1

CC(O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F

CC[C@@H](C)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|

O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1

Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12

C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c(C)c1)S(N)(=O)=O |r|

CC(N)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O

NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCC3)cc2)c2ccccc12

C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c(N)c1)S(N)(=O)=O |r|

C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc(c1)S(N)(=O)=O |r|

C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O |r|

C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(NS(C)(=O)=O)c2ccccc12 |r|

NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc12

CN(C)CCOc1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O

NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(cc2)C2CCNCC2)c2ccccc12

NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCCC3)cc2)c2ccccc12

NC1(CCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O

NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(CN3CCCC3)cc2)c2ccccc12

CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O

C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(cc1)S(C)(=O)=O |r|

C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(=O)(=O)N(C)C |r|

NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCCC3)nc2)c2ccccc12

CC(C)(N)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O

C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2c(cccc12)S(N)(=O)=O |r|

CNS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2[C@@H](C)CNC[C@H]2C)c2ccccc12 |r|

CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O

COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1

Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1

Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)ccc2n1

Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)cc(F)c2n1

Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2ccccc2n1

Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)cc(F)c2n1

Nc1ncc(nc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl

C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)CN(C[C@H]1C)C(=O)N1CCCC1 |r|

COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN[C@H](C)C3)c2n1 |r|

COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|

COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(N4CCN(C)CC4)c(F)c3)c2n1 |r|

COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(cc3)N3CCN(C)CC3)c2n1 |r|

C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:24.26,27.30,1.0,wD:27.31,(4.77,-2.71,;6.24,-3.19,;6.71,-4.65,;8.25,-4.65,;8.73,-3.19,;7.48,-2.28,;7.48,-.74,;6.15,.03,;4.81,-.74,;3.48,.03,;3.48,1.57,;4.81,2.34,;6.15,1.57,;7.48,2.34,;2.15,2.34,;2.15,3.88,;.81,4.65,;-.52,3.88,;-1.85,4.65,;-.52,2.34,;.81,1.57,;-1.85,1.57,;-1.85,.03,;-3.19,2.34,;-4.52,1.57,;-4.52,.03,;-5.85,-.74,;-7.19,.03,;-7.96,-1.3,;-8.73,.03,;-7.19,1.57,;-5.85,2.34,)|

C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(C)(O)CC1 |r,wU:1.0,(8.78,2.71,;7.32,3.19,;6.84,4.65,;5.3,4.65,;4.83,3.19,;6.07,2.28,;6.07,.74,;4.74,-.03,;4.74,-1.57,;3.4,-2.34,;2.07,-1.57,;2.07,-.03,;3.4,.74,;3.4,2.28,;.74,-2.34,;.74,-3.88,;-.6,-4.65,;-1.93,-3.88,;-3.26,-4.65,;-1.93,-2.34,;-3.26,-1.57,;-4.6,-2.34,;-3.26,-.03,;-1.93,.74,;-.6,-.03,;-.6,-1.57,;-4.6,.74,;-5.93,-.03,;-7.27,.74,;-7.27,2.28,;-7.79,3.73,;-8.78,2.01,;-5.93,3.05,;-4.6,2.28,)|

C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(C)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;4.65,-1.57,;3.31,-2.34,;1.98,-1.57,;1.98,-.03,;3.31,.74,;3.31,2.28,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|

C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(O)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;4.65,-1.57,;3.31,-2.34,;1.98,-1.57,;1.98,-.03,;3.31,.74,;3.31,2.28,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|

C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(C)(O)CC1 |r,wU:1.0,(8.79,2.71,;7.33,3.19,;6.85,4.65,;5.31,4.65,;4.84,3.19,;6.08,2.28,;6.08,.74,;4.75,-.03,;3.42,.74,;2.08,-.03,;2.08,-1.57,;3.42,-2.34,;4.75,-1.57,;.75,-2.34,;.75,-3.88,;-.58,-4.65,;-1.92,-3.88,;-3.25,-4.65,;-1.92,-2.34,;-3.25,-1.57,;-4.59,-2.34,;-3.25,-.03,;-1.92,.74,;-.58,-.03,;-.58,-1.57,;-4.59,.74,;-5.92,-.03,;-7.25,.74,;-7.25,2.28,;-8.02,3.62,;-8.79,2.28,;-5.92,3.05,;-4.59,2.28,)|

C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1 |r|

C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(C)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;3.31,.74,;1.98,-.03,;1.98,-1.57,;3.31,-2.34,;4.65,-1.57,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|

C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(O)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;3.31,.74,;1.98,-.03,;1.98,-1.57,;3.31,-2.34,;4.65,-1.57,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|

C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1 |r|

C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(Cc12)C1CCCCC1 |r|

Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1

Cn1ccc(n1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1

Cn1nccc1-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1

Cn1ccc(c1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1

Cn1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1

CC(C)n1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1

Nc1ncc(-c2cnn(c2)C2CCCC2)c2CCN(C3CCCCC3)C(=O)c12

Nc1ncc(-c2cnn(c2)C2COC2)c2CCN(C3CCCCC3)C(=O)c12

Nc1ncc(-c2cnn(CC3CCCNC3)c2)c2CCN(C3CCCCC3)C(=O)c12

Nc1ncc(-c2cnn(CC3CCNCC3)c2)c2CCN(C3CCCCC3)C(=O)c12

Nc1ncc(-c2cnn(c2)C2CCCNC2)c2CCN(C3CCCCC3)C(=O)c12

Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3CCCCC3)C(=O)c12

CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1

CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1

CC1(O)CCC(CC1)N1CCc2c(cnc(N)c2C1=O)-c1cnn(c1)C1CCNCC1 |(-6.56,3.49,;-5.79,2.16,;-7.33,2.16,;-5.79,.62,;-4.45,-.15,;-3.12,.62,;-3.12,2.16,;-4.45,2.93,;-1.79,-.15,;-.45,.62,;.88,-.15,;.88,-1.69,;2.21,-2.46,;2.21,-4,;.88,-4.77,;-.45,-4.01,;-1.79,-4.78,;-.45,-2.46,;-1.79,-1.69,;-3.12,-2.46,;3.54,-1.69,;5,-2.15,;5.92,-.9,;5.04,.32,;3.54,-.15,;5.44,1.8,;6.93,2.2,;7.33,3.69,;6.24,4.78,;4.75,4.38,;4.35,2.89,)|

Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3C4CC5CC(C4)CC3C5)C(=O)c12 |TLB:29:28:26:22.23.24,THB:24:23:20:27.25.26,24:25:20:22.29.23,19:20:26:22.23.24,29:23:20.28.27:26,(-1.87,-4.78,;-.53,-4.01,;.8,-4.77,;2.13,-4,;2.13,-2.46,;3.46,-1.69,;4.92,-2.15,;5.84,-.9,;4.96,.32,;3.46,-.15,;5.36,1.8,;6.85,2.2,;7.25,3.69,;6.16,4.78,;4.67,4.38,;4.27,2.89,;.8,-1.69,;.8,-.15,;-.53,.62,;-1.87,-.15,;-3.2,.62,;-4.87,1.23,;-4.93,2.67,;-5.81,3.84,;-7.25,3.25,;-7.24,1.71,;-6.26,.64,;-5.67,1.23,;-4.19,1.86,;-4.21,3.4,;-1.87,-1.69,;-3.2,-2.46,;-.53,-2.46,)|

Cc1csc(n1)-c1[nH]cnc1-c1ccc2ncsc2c1

C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N |r|

C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]cc(C#N)c3c12)C(=O)CC#N |r|

CNC(=O)[C@@H]1CC[C@H](C1)n1c(nc2ccc(cc12)C(=O)NCc1cccc(c1)C(N)=O)-c1ccc2cnccc2c1 |r|

NC(=O)c1cccc(CNC(=O)c2ccc3nc(-c4ccc5cnccc5c4)n(C4CCCC4)c3c2)c1

CC(=O)c1c[nH]c(-c2sc(N(c3cnn(-c4ccncc4CO)c3)C3CC3)nc2C(N)=O)c1

CC(=O)c1c[nH]c(-c2sc(N(c3cnn(-c4ccncc4F)c3)C3CC3)nc2C(N)=O)c1

COc1cnccc1-n1cc(N(c2nc(C(N)=O)c(-c3cc(C(C)=O)c[nH]3)s2)C2CC2)cn1

c1ccc2c(-c3coc4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1

c1cnc2c(-c3coc4cc(-c5ccc(N6CCNCC6)cc5)cnc34)cccc2c1

Cc1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2ccccc2n1

FC(F)(F)c1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2ccccc2n1

c1ccc2c(-c3coc4cc(-c5ccc(N6CCNCC6)cc5)cnc34)cccc2c1

Cc1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2ccccc2c1

c1ccc2c(-c3coc4cc(-c5ccc(N6CCNCC6)cc5)cnc34)cncc2c1

c1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2ccncc2c1

c1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2cccnc2c1

c1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2cnccc2c1

CN1CCN(c2ccc(-c3cnc4c(-c5ccnc6[nH]ccc56)coc4c3)cc2)CC1

CN1CCN(c2ccc(-c3cnc4c(-c5coc6ccccc56)coc4c3)cc2)CC1

CN1CCN(c2ccc(-c3cnc4c(-c5csc6ccccc56)coc4c3)cc2)CC1

Cc1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc(C)n1

c1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)ccn1

c1cncc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c1

Nc1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)ccn1

CC(=O)c1cc(-c2coc3cc(-c4ccc(N5CCN(C)CC5)cc4)cnc23)ccn1

c1ccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc1

Fc1ccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc1

COc1cccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c1

CNC(=O)c1cccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c1

CN1CCN(c2ccc(-c3cnc4c(-c5ccccc5)coc4c3)cc2)CC1

CN1CCN(c2ccc(-c3cnc4c(-c5cccc(/C=N/O)c5)coc4c3)cc2)CC1

CN1CCN(c2ccc(-c3cnc4c(-c5cccc(S(C)(=O)=O)c5)coc4c3)cc2)CC1

CN1CCN(c2ccc(-c3cnc4c(-c5ccc(NC(N)=O)cc5)coc4c3)cc2)CC1

CN1CCN(c2ccc(-c3cnc4c(-c5ccc(CO)cc5)coc4c3)cc2)CC1

CN1CCN(c2ccc(-c3cnc4c(Cc5ccccc5)coc4c3)cc2)CC1

CC(c1ccccc1)c1coc2cc(-c3ccc(N4CCN(C)CC4)cc3)cnc12

Cn1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cn1

c1ccc(-c2cnc3c(-c4ccncc4)coc3c2)cc1

c1cc(-c2coc3cc(-c4ccc(N5CCCCC5)nc4)cnc23)ccn1

CCCc1oc2cc(-c3ccc(N4CCN(C)CC4)cc3)cnc2c1-c1cnn(C)c1

COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C

COc1cc(-c2cncc(-c3ccc(N4CCN(C(C)C)CC4)cc3)c2C)cc(F)c1C(=O)N1CCCC1

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1

COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1

C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1

COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12

COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1

COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1

NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r|