SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
ClCCC1C2C=CC1C13CC21C1CC(c2ccccc2CC=CC=Cc2ccccc2)C3C1 | tartarus_reactivity |
CC=CC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C1=CC2OC1C13OC21C1SC3CC1c1cccc(-c2ccccc2)c1 | tartarus_reactivity |
C(=CC1CC2OC1C13CC21C1C=CC3C1)Cc1ccccc1 | tartarus_reactivity |
OC12CC(c3ccccc3)C(C1)C13OC21C1C=CC3C1 | tartarus_reactivity |
BrC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1-c1ccccc1 | tartarus_reactivity |
Cc1ccccc1CC=CC1CC2CC1C13OC21C1C=CC3C1 | tartarus_reactivity |
BrC12C(c3ccccc3)CC(C1c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
CCc1ccccc1COC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C=CC(=CCc1ccccc1)C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
Cc1ccccc1C=CC=CC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
Cc1ccccc1C1CC2CC1(c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
CSC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1C(c2ccccc2)CC3C1c1ccccc1 | tartarus_reactivity |
CCC=Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
C1=CC2C(c3ccccc3)C1C13CC21C1CC3CC1C1=CCC1 | tartarus_reactivity |
C=CC1CC2CC1C13NC21C1C=CC3C1c1cccc(-c2ccccc2)c1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1CC3CC1Nc1cccnc1 | tartarus_reactivity |
Cc1ccccc1C1CC2CC1C13CC21C1C=CC3O1 | tartarus_reactivity |
ICCC=Cc1ccccc1C1CC2CC1C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
Fc1ccccc1C1CC2CC1C13CC21C1C=CC3O1 | tartarus_reactivity |
Cc1ccccc1Cc1ccccc1C1CC2CC1C13CC21C1C=CC3N1 | tartarus_reactivity |
FC1=CC2CC1C13CC21C1CC(Nc2ccccc2Br)C3C1 | tartarus_reactivity |
BrC1=CC2C(c3ccccc3)C1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
C(=CC1CC2OC1C13CC21C1C=CC3C1)c1ccccc1 | tartarus_reactivity |
C1=CC2SC1C13CC21C1CC3CC1c1ccccc1Oc1ccccc1 | tartarus_reactivity |
OCC=CCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
CC12CC(c3ccccc3)C(C1)C13CC21C1C=CC3C1 | tartarus_reactivity |
FC1=CC2OC1C13OC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
C1=CC2CC1C13NC21C1C(c2ccccc2)CC3C1c1ccccc1 | tartarus_reactivity |
C(C=CC1CC2CC1C13CC21C1C=CC3C1)=Cc1ccccc1C=Cc1ccccc1 | tartarus_reactivity |
FC1=CC2CC1C13NC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
NC12C=CC(C1)C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
CC=C(C)C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
ClC12C=CC(C1)C13CC21C1CC(c2ccccc2-c2ccccc2)C3C1 | tartarus_reactivity |
C(=CC=CC1CC2CC1C13CC21C1C=CC3C1)C=Cc1ccccc1 | tartarus_reactivity |
FC1=CC2CC1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
Cc1cccc(C2CC3CC2C24CC32C2C=CC4C2)c1 | tartarus_reactivity |
BrCC1C2C=CC1C13CC21C1CC(c2ccccc2-c2ccccc2)C3C1 | tartarus_reactivity |
C1=CC2NC1C13OC21C1CC3CC1c1ccccc1-c1ccccc1 | tartarus_reactivity |
Clc1ccccc1C1CC2CC1C13C4C=CC(C4)C21C3I | tartarus_reactivity |
SCc1ccccc1C1CC2CC1(c1cccnc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
Cc1ccccc1C=Cc1ccccc1-c1ccccc1C1CC2CC1C13CC21C1C=CC3S1 | tartarus_reactivity |
FC1=CC2CC1C13NC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
C1=CC2(c3ccccn3)CC1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
BrC12CC(c3ccccc3)C(C1)C13CC21C1C=CC3C1 | tartarus_reactivity |
C=CC(=C)c1ccccc1C1CC2CC1C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
C1=CCC(c2ccccc2C2C3C=CC2C24CC32C2CC(c3ccccc3)C4C2)=C1 | tartarus_reactivity |
CC1C23C4C=CC(O4)C12C1CCC3C1c1ccccc1 | tartarus_reactivity |
NC1CC2CC1C13CC21C1C=CC3C1c1ccccc1F | tartarus_reactivity |
CC=C(C)c1ccccc1C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
ClC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
Cc1ccccc1C1CC2CC1C13OC21C1C=CC3O1 | tartarus_reactivity |
CCc1ccccc1C1CC2CC1C13OC21C1C=CC3O1 | tartarus_reactivity |
Fc1ccccc1C1CC2CC1C13C4C=CC(C4)C21C3Br | tartarus_reactivity |
CCC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1-c1ccccc1 | tartarus_reactivity |
NC1CC2CC1C13C4C=CC(C4)C21N3c1ccccc1 | tartarus_reactivity |
C1=CC2(Sc3ccccc3)CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
O=CC1CC2CC1C13C4C=CC(C4)C21C3c1ccccc1 | tartarus_reactivity |
C=CC=CCc1ccccc1C1CC2CC1C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
CC1C2CC(c3ccccc3O)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
Brc1ccccc1CC=CC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
Brc1ccccc1-c1ccccc1C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC=CC=Cc1ccccc1CNC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC12C=CC(C1)C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
FC12CC(c3ccccc3)C(C1)C13CC21C1C=CC3C1 | tartarus_reactivity |
OC12CC(CC1c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
NC12CC(c3ccccc3)C(C1)C13CC21C1C=CC3C1 | tartarus_reactivity |
Brc1cccc(C2CC3CC2C24CC32C2C=CC4C2)c1 | tartarus_reactivity |
C(C=CC1CC2NC1C13CC21C1C=CC3C1c1ccccc1)=CCc1ccccc1 | tartarus_reactivity |
NC1CC2C(c3ccccc3)C1C13OC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2CC1C13NC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
BrC12CC(CC1c1ccccc1)C13OC21C1C=CC3O1 | tartarus_reactivity |
ICC=CC1C2C=CC1C13CC21C1CC(c2ccccc2-c2ccccc2)C3C1 | tartarus_reactivity |
C=Cc1ccccc1CC1C2CCC1C13C4C=CC(N4)C21C3c1ccccc1 | tartarus_reactivity |
OC12CC(CC1c1ccccc1)C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
CC1CC2C(c3ccccc3)C1C13C4C=CC(C4)C21C3N | tartarus_reactivity |
CCN1C2C=CC1C13SC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
BrC1=CC2OC1C13OC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
C1=CC2CC1C13SC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
OC12CC(c3ccccc3)C(C1)C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1CC3CC1c1ccccc1C1=CCC1 | tartarus_reactivity |
O=C1C23C4C=CC(C4)C12C1CC3CC1Nc1ccccc1 | tartarus_reactivity |
SCc1ccccc1C1CC2CC1(c1ccccn1)C13CC21C1C=CC3C1 | tartarus_reactivity |
CC(=CCc1ccccc1)C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C(C=CCc1ccccc1)=CCCC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
Fc1ccccc1C1CC2CC1C13OC21C1C=CC3O1 | tartarus_reactivity |
C1=CC2SC1C13C4CC(c5ccccc5)C(C4)C21C3c1ccccc1 | tartarus_reactivity |
CC=CC1C2C=CC1C13CC21C1CC(Nc2ccccc2C)C3C1 | tartarus_reactivity |
C1=CC2(c3ccccc3)CC1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
C1=CC2C(Oc3ccncc3)C1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
NC12CC(CC1c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC(Cc2ccccc2Cc2ccccc2C2CC3CC2C24CC32C2C=CC4C2)C=C1 | tartarus_reactivity |
Clc1cccc(C2CC3CC2C24CC32C2C=CC4C2)c1 | tartarus_reactivity |
C=CCOC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
OC1CC2CC1(c1ccccc1)C13OC21C1C=CC3O1 | tartarus_reactivity |
BrCC1=CC2CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
CCCCC1C2C=CC1C13OC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
Oc1ccccc1C1CC2CC1C13CC21C1C=CC3C1F | tartarus_reactivity |
BrCc1ccccc1C1CC2CC1(c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
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