Compound List
| Compound | Smiles | Mol |
|---|---|---|
|
C1004
|
CN(C)CCCCC(=O)O |
|
|
C1005
|
COc1ccc2c(c1)CCCNC2 |
|
|
C1006
|
COCCn1cnc2c1c(=O)n(CC(=O)NN)c(=O)n2Cc1ccccc1 |
|
|
C1007
|
CC(O)c1cc(Cl)ccc1Cl |
|
|
C1008
|
Brc1ccc(-c2csc(NCC3CCCO3)n2)cc1 |
|
|
C1009
|
Cc1cn2c(CO)c(C)nc2s1 |
|
|
C1010
|
CN1CCCC1CO |
|
|
C1011
|
CNCc1ccc(OC)c(O)c1 |
|
|
C1012
|
NC1CCOc2ccccc21 |
|
|
C1013
|
CS(=O)(=O)c1ccc(NC(N)=O)cc1 |
|
|
C1014
|
COc1cccc2cc(B(O)O)oc12 |
|
|
C1015
|
COC(=O)c1cc(Br)ccc1N |
|
|
C1016
|
CC1CCCN(CC#N)C1 |
|
|
C1017
|
O=C(O)c1cccc(S(=O)(=O)NCC2CCCO2)c1 |
|
|
C1018
|
CCOC(=O)C1CCCC1=O |
|
|
C1019
|
CC1CNCC(C)S1 |
|
|
C1020
|
CCOCCCn1c(N)nc2ccccc21 |
|
|
C1021
|
O=C(O)c1c[nH]c(C(=O)N2CCCC2)c1 |
|
|
C1022
|
CCC1CC(=O)CCO1 |
|
|
C1023
|
O=C(O)c1cccc(-n2[nH]c(=O)ccc2=O)c1 |
|
|
C1024
|
CCOC(=O)CN(CCC#N)C1CC1 |
|
|
C1025
|
CCOC(=O)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C |
|
|
C1026
|
NNc1ncc(Cl)cc1Cl |
|
|
C1027
|
O=C1NCc2ccccc2N1CCO |
|
|
C1028
|
COC(=O)C(CO)NC(=O)OC(C)(C)C |
|
|
C1029
|
CCOc1ccccc1-c1cc(C(=O)O)n[nH]1 |
|
|
C1030
|
Cc1cccc2c1CCC2N |
|
|
C1031
|
CC(CN)N(C)C1CC1 |
|
|
C1032
|
CC(=O)c1ccccc1OC(F)(F)F |
|
|
C1033
|
O=Cc1cn[nH]c1 |
|
|
C1034
|
Nc1cc(-c2ccccc2)on1 |
|
|
C1035
|
O=C(CCl)NC1CCOCC1 |
|
|
C1036
|
Cc1cccc(N2CCN(CCC(C)N)CC2)c1 |
|
|
C1037
|
O=C(O)CCCc1nc(-c2ccc(Cl)cc2)no1 |
|
|
C1038
|
O=C(O)CCn1ccccc1=O |
|
|
C1039
|
BrCCOCCOc1ccccc1 |
|
|
C1040
|
Cc1ccccc1C(N)C1CC1 |
|
|
C1041
|
CCNc1cccnc1 |
|
|
C1042
|
CNCc1cnn(C)c1 |
|
|
C1043
|
O=C(O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 |
|
|
C1044
|
Cc1cccc(C)c1OCC1CO1 |
|
|
C1045
|
CNS(=O)(=O)c1cccc(N)c1 |
|
|
C1046
|
CCN(CCCN)S(C)(=O)=O |
|
|
C1047
|
O=C(O)C1CNCCN1 |
|
|
C1048
|
Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 |
|
|
C1049
|
Nc1cc(S(N)(=O)=O)cnc1N |
|
|
C1050
|
CC(C)CC(=O)c1ccc(Cl)cc1 |
|
|
C1051
|
COC(=O)Cc1cccc(N)c1 |
|
|
C1052
|
NC(=O)Nc1ccc(Cl)cc1 |
|
|
C1053
|
CCNC(=O)c1ccc(F)cc1Br |
|
|
C1054
|
Cc1cc(C)n(CC(N)=S)c(=O)n1 |
|
|
C1055
|
CS(=O)(=O)CCOc1cccc(N)c1 |
|
|
C1056
|
COCCOc1ccc(N)c(C)c1 |
|
|
C1057
|
Cc1ccc(-n2c(-c3ccccc3)cnc2S)c(C)c1 |
|
|
C1058
|
CC1CN(C(CN)c2cccs2)CCO1 |
|
|
C1059
|
COc1cc(Br)c(OC)c(C(=O)O)c1 |
|
|
C1060
|
CC(N)C(C)n1cccn1 |
|
|
C1061
|
c1ccc(COc2ccc3c(c2)CCCN3)cc1 |
|
|
C1062
|
COc1cccc(NC(=O)C(C)Cl)c1 |
|
|
C1063
|
NS(=O)(=O)c1ccc(Br)s1 |
|
|
C1064
|
CS(=O)(=O)Nc1cccc(Br)c1 |
|
|
C1065
|
NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 |
|
|
C1066
|
O=C(O)c1nn(CCO)c(=O)c2ccccc12 |
|
|
C1067
|
NC(CC(=O)Nc1ccccc1Cl)=NO |
|
|
C1068
|
NCCC(=O)Nc1cccnc1 |
|
|
C1069
|
O=S(=O)(Cl)c1cc(Br)c(F)cc1F |
|
|
C1070
|
N#CCn1cncn1 |
|
|
C1071
|
CC(C)(C)c1ccc(C2(CN)CCC2)cc1 |
|
|
C1072
|
CC(=O)c1ccc(OCC(=O)Nc2ccccc2)cc1 |
|
|
C1073
|
Nc1c(C(=O)O)cc(F)cc1[N+](=O)[O-] |
|
|
C1074
|
CC(=O)CC(=O)Nc1ccc(C)cc1Cl |
|
|
C1075
|
NC(=NO)c1cccnc1 |
|
|
C1076
|
O=C(O)C1CCCCN1Cc1ccncc1 |
|
|
C1077
|
Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCl)cs1 |
|
|
C1078
|
N#Cc1cn(-c2ccccc2)nc1N |
|
|
C1079
|
O=C(O)C1(S(=O)(=O)c2ccccc2)CCCC1 |
|
|
C1080
|
OCCN(CCO)CC(F)(F)F |
|
|
C1081
|
Clc1ccc(NC2=NCCCS2)cc1Cl |
|
|
C1082
|
COC(=O)C(CN)CC1CCOC1 |
|
|
C1083
|
COCCCn1c(CCl)csc1=Nc1cccc(Cl)c1 |
|
|
C1084
|
Cc1cc(NN)ccc1Br |
|
|
C1085
|
Cc1cc(Cl)cc2c1OCCC2=O |
|
|
C1086
|
NCC1CCN(Cc2cccs2)CC1 |
|
|
C1087
|
O=C(O)c1cccc(N2CCOC2=O)c1 |
|
|
C1088
|
CC(C)(C)CCN |
|
|
C1089
|
Nc1ccnc(N2CCCC2)n1 |
|
|
C1090
|
NCCN1Cc2ccccc2C1 |
|
|
C1091
|
CC(=O)Nc1ccc(CCO)cc1 |
|
|
C1092
|
NS(=O)(=O)c1cccc(F)c1 |
|
|
C1093
|
Cc1cccc2[nH]ccc12 |
|
|
C1094
|
O=C(O)C1(c2cccc(Cl)c2)CC1 |
|
|
C1095
|
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CCl)n1 |
|
|
C1096
|
Cn1ccc2c(N)cccc21 |
|
|
C1097
|
O=C(O)C1CCC(C(F)(F)F)N1 |
|
|
C1098
|
Cc1n[nH]c(N)c1-c1cccc(Br)c1 |
|
|
C1099
|
O=C(O)c1cc(Cl)c2ccccc2c1O |
|
|
C1100
|
C#CCN(C)CCO |
|
|
C1101
|
C=CCNS(=O)(=O)c1cc(C(=O)O)ccc1F |
|
|
C1102
|
O=C(O)COc1ccc(-c2ccccc2)cc1 |
|
|
C1103
|
O=C(O)C(Cl)c1ccccc1 |
|