SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
C1=CC2OC1C13NC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
OC1CC2C(c3ccccc3)C1C13CC21C1C=CC3O1 | tartarus_reactivity |
C1=CC2(c3ccccc3)OC1C13OC21C1CC(Nc2ccccc2)C3N1 | tartarus_reactivity |
CCC=C(c1ccccc1)C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
ClC12C=CC(C1)C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
CC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
CC12CC(C(c3ccccc3)C1Br)C13CC21C1C=CC3C1 | tartarus_reactivity |
FCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C(=CC=CC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1)C=Cc1ccccc1 | tartarus_reactivity |
C=CCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
ClC12C=CC(C1)C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
NC1CC2CC1(c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
CC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1 | tartarus_reactivity |
C(C=Cc1ccccc1C=CC1CC2CC1C13CC21C1C=CC3C1)=Cc1ccccc1 | tartarus_reactivity |
C1=CCC(C2C34C5C=CC(C5)C23C2CC4CC2c2ccccc2)C1 | tartarus_reactivity |
CC=CC=Cc1ccccc1C1CC2CC1C13OC21C1C=CC3C1 | tartarus_reactivity |
CC=C(Cc1ccccc1)C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2(c3ccccc3)OC1C13OC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
CC(C=CCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1)c1ccccc1 | tartarus_reactivity |
ICC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
Oc1ccccc1C=CC1CC2CC1C13SC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
OC12C=CC(C1)C13CC21C1CC3CC1c1ccccc1-c1ccccc1F | tartarus_reactivity |
C=CC=Cc1ccccc1C=CC1CC2CC1C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
Oc1ccccc1C1CC2CC1C13CC21C1C=CC3O1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1CC3CC1Nc1ccccc1 | tartarus_reactivity |
C(=CNC1CC2CC1C13CC21C1C=CC3C1)Cc1ccccc1 | tartarus_reactivity |
Cc1ccccc1C=CCCCC(C)C1CC2CC1(c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
O=C1C23C4C=CC(C4)C12C1CC3C(CBr)C1c1ccccc1 | tartarus_reactivity |
O=C1C23C4C=CC(C4)C12C1CC3CC1C=CC=CC=Cc1ccccc1 | tartarus_reactivity |
C=CC1CC2(c3ccccc3)CC1C13NC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
CNC1CC2CC1C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
SC1C23C4C=CC(Sc5ccccc5)(C4)C12C1CC3CC1c1ccccc1 | tartarus_reactivity |
C=CC1C2CC(c3ccccc3Sc3ccccc3C)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
OC12C=CC(C1)C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
COc1ccccc1C1CC2CC1C13CC21C1C=CC3S1 | tartarus_reactivity |
C(=CCNC1CC2CC1C13CC21C1C=CC3C1)CCc1ccccc1 | tartarus_reactivity |
NC12C=CC(C1)C13OC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
IC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1 | tartarus_reactivity |
Cc1ccccc1C1CC2CC1C13SC21C1C=CC3C1 | tartarus_reactivity |
NC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1 | tartarus_reactivity |
NCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
BrC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
Clc1ccccc1C1CC2C(c3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
C(=Cc1ccccc1)CC=CC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
ClCc1ccccc1C1(Br)C2C=CC1C13CC21C1CCC3C1 | tartarus_reactivity |
NC1C2CC(c3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1CC3CC1Nc1ccccc1-c1ccccc1 | tartarus_reactivity |
C1=CC2N(c3ccccc3)C1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
OC12C=CC(C1)C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
C=CC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
CC1C2CC(c3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2CC1C13SC21C1CC3CC1Nc1ccccc1 | tartarus_reactivity |
CC=CC1CC2CC1C13CC21C1C=C(C)C3C1c1ccccc1 | tartarus_reactivity |
OC1CC2CC1(c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
OC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1 | tartarus_reactivity |
C=Cc1ccccc1C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C1=CC2CC1C13NC21C1(c2ccccc2)CC3CC1c1ccccc1 | tartarus_reactivity |
Cc1ccccc1C1CC2C(CCl)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
CCC(C)C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C1=CC2CC1C13NC21C1(c2ccccc2)CC(c2ccccc2)C3C1 | tartarus_reactivity |
NC1CC2CC1C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
SCOc1ccccc1C1CC2CC1(c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2C(c3ccccc3-c3ccccc3)C1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
FC1C2CC(c3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC(=CC=Cc1ccccc1)C1CC2CC1(C)C13CC21C1C=CC3C1 | tartarus_reactivity |
Oc1ccccc1C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2OC1C13CC21C1CC3CC1c1ccccc1-c1ccccc1 | tartarus_reactivity |
BrC1C23C4CC(c5ccccc5-c5ccccc5)C(C4)C12C1C=CC3N1 | tartarus_reactivity |
Oc1ccccc1C1CC2CC1C13OC21C1C=CC3O1 | tartarus_reactivity |
CCSC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
FC1=CC2CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C=C(C)C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
BrCC1=CC2CC1C13CC21C1CC3CC1C=CCc1ccccc1Cc1ccccc1 | tartarus_reactivity |
C1=CC1C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
FC1=CC2OC1C13OC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C=C(c1ccccc1)C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC1C2CC(CO)C1C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
CCC1C2CC(c3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
BrC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1 | tartarus_reactivity |
Sc1ccccc1C1CC2CC1(c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
NC1C2C=CC1C13OC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
BrC1=CC2CC1C13NC21C1CC3CC1Nc1ccccc1 | tartarus_reactivity |
FC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1CC3CC1c1ccccc1Nc1ccccc1 | tartarus_reactivity |
C1=CC2CC1C13NC21C1CC3CC1Nc1ccccc1 | tartarus_reactivity |
C1=CC2SC1C13CC21C1CC3CC1Nc1ccccc1 | tartarus_reactivity |
C1=CC2(c3ccccc3)OC1C13OC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C(=CC1CC2CC1C13CC21C1C=CC3C1)Cc1ccccc1-c1ccccc1 | tartarus_reactivity |
C(=CC=CC1CC2C(c3ccccc3)C1C13OC21C1C=CC3C1)C=Cc1ccccc1 | tartarus_reactivity |
FC1C23C4C=CC(C4)C12C1(c2ccccc2)CC3CC1c1ccccc1CS | tartarus_reactivity |
C=CC1C23C4C=CC(S4)C12C1CCC3C1c1ccccc1 | tartarus_reactivity |
Cc1ccccc1-c1ccccc1C=CC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
ClC1C(c2ccccc2)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1(Sc2ccccc2)CC3CC1c1ccccc1 | tartarus_reactivity |
CC12CC(CC1c1ccccc1)C13CC21C1C=CC3O1 | tartarus_reactivity |
CCc1ccccc1C1CC2CC1C13C4C=CC(C4)C21C3Br | tartarus_reactivity |
C1=CC2CC1C13CC21C1C(c2ccccc2)CC3C1Sc1ccccc1 | tartarus_reactivity |
CC=CC=Cc1ccccc1C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
OCC1CC2C(Cc3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC=C(C=Cc1ccccc1)C1CC2CC1C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
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