Compound List
| Compound | Smiles | Mol |
|---|---|---|
|
C1
|
CCC(=O)NCc1nnc2n1CCCC2 |
|
|
C2
|
CNS(=O)(=O)c1ccccc1Cl |
|
|
C4
|
Cc1cn[nH]c1-c1ccncc1 |
|
|
C7
|
CC(=O)Nc1ccc(-c2csc(N)n2)cc1 |
|
|
C8
|
CS(=O)(=O)NC1CCCC1 |
|
|
C9
|
CCS(=O)(=O)NCc1ccc2c(c1)OCO2 |
|
|
C10
|
O=C(c1c(F)cccc1F)N1CCCCCC1 |
|
|
C11
|
c1cncc(Cn2cccc2)c1 |
|
|
C12
|
O=S(=O)(c1ccc(F)cc1)N1CCNCC1 |
|
|
C14
|
CC(C)(CO)NC(=O)c1cccc(Cl)c1 |
|
|
C15
|
CC(=O)Nc1ccc(Nc2ccccc2)cc1 |
|
|
C16
|
CCn1c(NC(C)=O)nc2ccccc21 |
|
|
C17
|
Cc1nn(C)c(C)c1NS(=O)(=O)c1cccc(F)c1 |
|
|
C18
|
Cc1ccc(NC(=O)C2CCCO2)nc1 |
|
|
C19
|
O=S1(=O)CCCN1Cc1cccc(F)c1 |
|
|
C20
|
Cc1nc(C)c(C(C)NC(=O)C(C)C)s1 |
|
|
C21
|
Fc1ccc(NC2CCOCC2)nc1 |
|
|
C22
|
CNS(=O)(=O)CC1CCCCC1 |
|
|
C23
|
CNC(=O)c1cnc(C)s1 |
|
|
C24
|
Clc1cccc2nc[nH]c12 |
|
|
C25
|
CC(C)N1CCN(C(=O)c2cccs2)CC1 |
|
|
C26
|
N#CCc1nccn1CC(F)(F)F |
|
|
C27
|
Cc1cc(Cn2nc(C)ccc2=O)on1 |
|
|
C29
|
COc1ccccc1-c1nnco1 |
|
|
C31
|
Fc1cn[nH]c1 |
|
|
C32
|
CC(=O)NCC1(O)CCCC1 |
|
|
C33
|
c1ncc2c(n1)CC1CCC2N1 |
|
|
C34
|
Nc1cccnc1-n1cccc1 |
|
|
C36
|
O=S1(=O)CCN(Cc2ccco2)CC1 |
|
|
C37
|
COC1CN(S(=O)(=O)N2CCCC2)C1 |
|
|
C38
|
Cc1cccc(OC2CCN(C)C2=O)c1F |
|
|
C39
|
CNS(=O)(=O)c1cccc(C)c1F |
|
|
C40
|
Cn1ccnc1-c1noc(C2CCC2)n1 |
|
|
C41
|
CN(CC1CCOC1)c1ncncc1Cl |
|
|
C42
|
NC(=O)N1CCN(c2ccc(F)cc2)CC1 |
|
|
C43
|
Cc1ncc(CNc2cncc(F)c2)s1 |
|
|
C45
|
COc1ccc(C(=O)C2CCNCC2)cc1 |
|
|
C46
|
N#Cc1ccc(Cn2cnc3ccccc32)cc1 |
|
|
C47
|
NC(=S)Nc1ccccc1OC(F)(F)F |
|
|
C48
|
CN(Cc1cccc(F)c1)S(N)(=O)=O |
|
|
C49
|
O=C(c1ccc2c(c1)OCO2)N1CCCCCC1 |
|
|
C50
|
O=C(CCC1CCCCC1)N1CCOCC1 |
|
|
C51
|
O=C(c1ccco1)N1CCN(C(=O)C2CC2)CC1 |
|
|
C52
|
CC1CCN(C(=O)c2cc3ccccc3o2)CC1 |
|
|
C53
|
CC1=NN(c2cccc(N)c2)C(=O)C1 |
|
|
C54
|
NS(=O)(=O)c1cnc2cccnn12 |
|
|
C57
|
CC(=O)NCc1cn[nH]c1 |
|
|
C58
|
CC(N)c1ccc(NC(=O)C2CC2)cc1 |
|
|
C59
|
CC1CCCC(CO)N1S(C)(=O)=O |
|
|
C61
|
CC1C(C(=O)N2CCCC2)CCCN1S(C)(=O)=O |
|
|
C62
|
Ic1cn[nH]c1 |
|
|
C63
|
O=S1(=O)CC(O)C1 |
|
|
C66
|
O=c1cccn[nH]1 |
|
|
C67
|
Nc1ccon1 |
|
|
C68
|
Brc1ncccn1 |
|
|
C69
|
NC(c1ccccc1)c1ccccc1 |
|
|
C70
|
O=C1CCN(c2ccccn2)CC1 |
|
|
C71
|
O=C1NC2(CCCC2)Nc2ccccc21 |
|
|
C72
|
Cc1ccc(CCNc2ccccc2)cn1 |
|
|
C73
|
CCn1cnc2ccccc21 |
|
|
C74
|
CNC(=O)c1cn(C)c2ccccc12 |
|
|
C76
|
OCCN1CCOCC1 |
|
|
C77
|
CC(=O)NCc1ncc[nH]1 |
|
|
C78
|
COc1cccc2[nH]ccc12 |
|
|
C80
|
CNc1nccc2ccccc12 |
|
|
C82
|
O=c1ccc(OC(F)F)c[nH]1 |
|
|
C83
|
CC(=O)Nc1cccc2cc[nH]c12 |
|
|
C87
|
CN1CCCc2ccc(S(N)(=O)=O)cc21 |
|
|
C88
|
CC(N)c1nc(Cc2ccccc2)no1 |
|
|
C90
|
COc1ccc(NC(=O)CN)cc1 |
|
|
C92
|
Cc1ccc(F)c(C(=O)N2CCNC(C)C2)c1 |
|
|
C93
|
CN(C(=O)C1CCNC1)c1ccccc1 |
|
|
C94
|
CS(=O)(=O)NC1CCNCC1 |
|
|
C95
|
CNC(=O)C1CCCc2sc(C)nc21 |
|
|
C96
|
CC(CO)N(C)c1ncc(Cl)cn1 |
|
|
C97
|
CC(O)CNC(=O)Nc1ccccc1 |
|
|
C99
|
Fc1ccc(-c2cc[nH]n2)nc1 |
|
|
C100
|
Cc1cccc(O)c1NC(=O)c1ccncc1F |
|
|
C101
|
CC(O)CNCc1ccc2c(c1)OCO2 |
|
|
C104
|
CC(=O)Nc1cccc(NC(N)=O)c1 |
|
|
C105
|
CC1CN(C(=O)Cn2cccn2)CCO1 |
|
|
C106
|
Cc1nc(-c2cccc(N)c2)no1 |
|
|
C108
|
COc1ccc(C)cc1NC(=O)CN |
|
|
C109
|
CNCc1cnn(-c2ccccc2)c1 |
|
|
C110
|
CC(=O)c1cccc(NC(=O)N2CCOCC2)c1 |
|
|
C111
|
CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 |
|
|
C112
|
CC(=O)NC1CNc2ccccc2C1 |
|
|
C114
|
Cc1nccn1Cc1cccc(C#N)c1 |
|
|
C115
|
CCC(=O)Nc1nc(C)cs1 |
|
|
C116
|
Cc1ccc(F)cc1NC(=O)c1ccncc1 |
|
|
C117
|
O=C1CN(C(=O)COc2ccccc2)CCN1 |
|
|
C118
|
COc1ccc(NC(=O)Nc2ccncc2)cc1 |
|
|
C120
|
Fc1cccc(C2CCCCN2)c1 |
|
|
C122
|
Fc1ccccc1CNC1CCOCC1 |
|
|
C124
|
O=C(c1cn[nH]c1)N1CCOCC1 |
|
|
C125
|
Cc1cc(Br)ccc1C(=O)NCC(C)O |
|
|
C126
|
Fc1ccccc1NCc1cc[nH]n1 |
|
|
C129
|
CN1CCN(C(=O)Nc2ccc(F)cc2)CC1 |
|
|
C130
|
O=C(Nc1ccccc1)Nc1cccnc1 |
|
|
C132
|
Cc1ccc(-c2nc(N)sc2C)cc1C |
|