SMILES
stringlengths
11
220
Source
stringclasses
16 values
C=C(C=CCF)C1C2C=CC1C13CC21C1CC(c2ccccc2-c2ccccc2)C3C1
tartarus_reactivity
FC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1
tartarus_reactivity
Cc1ccccc1C=CC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
CCC=CC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
C(C=CNc1ccccc1C1CC2CC1C13NC21C1C=CC3C1)=CCc1ccccc1
tartarus_reactivity
C1=CC2CC1C13CC21C1C(Nc2ccccc2)CC3C1c1ccccc1-c1ccccc1
tartarus_reactivity
CCc1ccccc1CC=CC1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
NC12CC(CC1c1ccccc1)C13OC21C1C=CC3O1
tartarus_reactivity
ClCc1ccccc1C=CC=Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
BrC1C2CCC1C13C4C=CC(C4)C21N3CC=CC=CCc1ccccc1
tartarus_reactivity
BrCC1C(c2ccccc2)C2CC1C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
CC1CC1C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
CC=CC1CC2CC1C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
ClC12CC(c3ccccc3)C(C1)C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
BrCC1C(C=CC=CCCc2ccccc2-c2ccccc2)C2CC1C13CC21C1C=CC3C1
tartarus_reactivity
CC1(C2C3C=CC2C24CC32C2CC(c3ccccc3)C4C2)CC1
tartarus_reactivity
OC1C2CC(c3ccccc3)C1C13NC21C1C=CC3C1
tartarus_reactivity
NC12C=CC(C1)C13CC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
CC=C(C=Cc1ccccc1C)C1CC2CC1C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
C1=CC2CC1C13CC21C1CC3CC1c1ccc(-c2ccccc2)cc1
tartarus_reactivity
C(=Cc1ccccc1-c1ccccc1C1CC2CC1C13CC21C1C=CC3S1)Nc1ccccc1-c1ccccc1
tartarus_reactivity
Clc1ccccc1C=CC1CC2CC1C13CC21C1C=CC3O1
tartarus_reactivity
C=Cc1ccccc1C=CC=CC1CC2CC1C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
BrC1=CC2CC1C13CC21C1CC3CC1Nc1ccccc1
tartarus_reactivity
CCC1C2C=CC1C13C4CC(CC4c4ccccc4)C21C3C
tartarus_reactivity
CC1C(c2ccccc2)C2CC1C13NC21C1C=CC3C1
tartarus_reactivity
C(C=CC1CC2CC1C13CC21C1C=CC3C1)=Cc1ccccc1
tartarus_reactivity
BrC1C23C4C=CC(C4)C12C1CC3CC1Nc1ccccc1
tartarus_reactivity
Cc1ccccc1CC=CC1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
Cc1ccccc1C1CC2CC1C13C4C=CC(C4)C21C3Br
tartarus_reactivity
C=CC1C2CC(c3ccccc3)C1C13CC21C1C=CC3C1
tartarus_reactivity
CC1(c2ccccc2)C23C4CC(c5ccccc5CBr)C(C4)C12C1C=CC3S1
tartarus_reactivity
SCc1ccccc1C1CC2CC1(c1ccccc1)C13CC21C1C=CC3C1
tartarus_reactivity
C(C=CC1CC2CC1C13CC21C1C=CC3C1)=CCc1ccccc1
tartarus_reactivity
Nc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
COc1ccccc1C1CC2CC1C13C4C=CC(C4)C21C3O
tartarus_reactivity
BrC1=CC2CC1C13CC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
NC1CC2C(c3ccccc3)C1C13CC21C1C=CC3C1
tartarus_reactivity
Cc1ccccc1C1CC2CC1C13C4C=CC(C4)C21C3c1ccccc1
tartarus_reactivity
Clc1ccc(C2CC3CC2C24CC32C2C=CC4C2)cc1
tartarus_reactivity
SCc1ccccc1-c1ccccc1C1CC2CC1(c1ccccc1)C13CC21C1C=CC3C1
tartarus_reactivity
BrC1C23C4C=CC(Sc5ccccc5)(C4)C12C1CC3CC1c1ccccc1
tartarus_reactivity
C1=CC2CC1C13C4CC(Nc5ccccc5)C(C4)C21C3C1=CC1
tartarus_reactivity
C1=CC2CC1C13CC21C1CC3CC1c1ccccc1
tartarus_reactivity
O=Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
C1=CC2OC1C13CC21C1(c2ccccc2)CC(c2ccccc2)C3C1
tartarus_reactivity
ICC1C(c2ccccc2)C2CC1C13C4C=CC(C4)C21N3c1ccccc1
tartarus_reactivity
Sc1cccc(C2CC3CC2(c2ccccc2)C24CC32C2C=CC4C2)c1
tartarus_reactivity
BrCC1C(c2ccccc2)C2CC1C13CC21C1(c2ccccc2)C=CC3C1
tartarus_reactivity
CC12C=CC(C1)C13CC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
C(=CC1CC2CC1C13OC21C1C=CC3O1)c1ccccc1
tartarus_reactivity
SC1C2C=CC1C13CC21C1CC(Nc2ccccc2)C3C1
tartarus_reactivity
C1=CC2NC1C13CC21C1CC3CC1Nc1ccccc1
tartarus_reactivity
C=Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
CC1C23C4CC(N)C(C4)C12C1C=CC3C1c1ccccc1
tartarus_reactivity
CC1C2C(c3ccccc3-c3ccccc3)CC1C13SC21C1C=CC3(S)C1
tartarus_reactivity
Cc1ccccc1C=CCCCC=COc1cccc(-c2ccccc2)c1C1CC2CC1C13CC21C1C=CC3S1
tartarus_reactivity
C1=CC2OC1C13SC21C1CC3CC1c1ccccc1
tartarus_reactivity
FC12C=CC(C1)C13CC21C1CC3CC1Nc1ccccc1
tartarus_reactivity
C=CC1CC2CC1C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
Cc1ccccc1CCSCc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
O=C1C23C4C=CC(C4)C12C1CC3CC1C=Cc1ccccc1F
tartarus_reactivity
IC12C=CC(C1)C13CC21C1CC3CC1Nc1ccccc1
tartarus_reactivity
CC(=CCc1ccccc1)C1CC2CC1C13C4C=CC(C4)C21C3Cl
tartarus_reactivity
OCc1ccccc1C=CC=CC1CC2CC1C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
NC1C(c2ccccc2)C2CC1C13CC21C1CC3C=C1c1ccccc1
tartarus_reactivity
FCc1ccccc1C1CC2CC1(Sc1ccccc1)C13CC21C1C=CC3C1
tartarus_reactivity
CC=CC1CC2CC1C13C4C=CC(C4)C21C3c1ccccc1
tartarus_reactivity
NC1CC2CC1C13C4C=CC(C4)C21C3c1ccccc1-c1ccccc1
tartarus_reactivity
CC=Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
C1=CC2CC1C13CC21C1CC3CC1NCc1ccccc1-c1ccccc1
tartarus_reactivity
C1=CC2OC1C13OC21C1(c2ccccc2)CC(c2ccccc2)C3C1
tartarus_reactivity
BrC1C2CC(c3ccccc3)C1C13CC21C1C=CC3C1
tartarus_reactivity
C=CC=CC=CC1CC2CC1C13CC21C1C=CC3C1c1ccccc1-c1ccccc1
tartarus_reactivity
FCCc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
C=CCC12CC(CC1c1ccccc1)C13CC21C1C=CC3C1
tartarus_reactivity
ClC=CC=CC1C2C=CC1C13CC21C1CC(c2ccccc2-c2ccccc2)C3C1
tartarus_reactivity
BrCC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1
tartarus_reactivity
OC12C=CC(O1)C13CC21C1CC3CC1c1ccccc1
tartarus_reactivity
C(=CC=Cc1ccccc1)C=CCc1ccccc1C1CC2CC1(c1ccccc1)C13CC21C1C=CC3C1
tartarus_reactivity
BrCC1C23C4C=CC(C4)C12C1CC3CC1Nc1ccccc1
tartarus_reactivity
CC(=CCc1ccccc1C)COc1ccccc1C1CC2CC1C13CC21C1C=CC3S1
tartarus_reactivity
CCC=Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
CC(=Cc1ccccc1C)C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
NC1CC2CC1C13C4C=CC(C4)C21C3c1ccccc1F
tartarus_reactivity
FC1C(c2ccccc2)C2CC1C13CC21C1C=CC3C1
tartarus_reactivity
FC1C23C4C=CC(C4)C12C1CC3CC1Nc1ccccc1
tartarus_reactivity
CC=CC=Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
O=CC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1
tartarus_reactivity
CCc1ccccc1C1CC2CC1C13CC21C1C=CC3C1F
tartarus_reactivity
C=CCCC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1
tartarus_reactivity
CC1C(Cc2ccccc2)C2CC1C13CC21C1C=CC3C1
tartarus_reactivity
CC(=Cc1ccccc1)C1CC2CC1C13CC21C1C=CC3C1
tartarus_reactivity
CC=Cc1ccccc1C(=CC)C1CC2CC1C13CC21C1C=CC3C1c1ccccc1
tartarus_reactivity
NC1CC2(c3ccccc3)CC1C13CC21C1C=CC3C1
tartarus_reactivity
C1=CC2CC1C13CC21C1CC3CC1c1cccnc1
tartarus_reactivity
ClC1C2C=CC1C13CC21C1CC(c2ccccccccc2)C3C1
tartarus_reactivity
IC1C2CC(c3ccccc3)C1C13C4C=CC(C4)C21C3c1ccccc1
tartarus_reactivity
CC1C(C)C2CC1C13C4C=CC(C4)C21C3Oc1ccccc1
tartarus_reactivity
C1=CC2CC1C13CC21C1(c2ccccc2)CC(Nc2ccccc2)C3C1
tartarus_reactivity