SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
C1=Cc2csc(-c3cc4c5c(c6c7[se]ccc7c7cscc7c6c4[nH]3)=CCC=5)c2C1 | tartarus_pce_pcdtbt |
C1=Cc2c(c3cc4cnc(-c5scc6cc[se]c56)cc4cc3c3cscc23)C1 | tartarus_pce_pcdtbt |
c1cc(-c2cc3c4ccccc4c4c(ncc5cc[nH]c54)c3c3nsnc23)c2cocc2c1 | tartarus_pce_pcdtbt |
C1=Cc2[nH]c3c4c([se]c3c2C1)C=C(c1cccc2ccccc12)C4 | tartarus_pce_pcdtbt |
C1=Cc2[nH]c3c4[se]c(-c5scc6[se]ccc56)cc4c4cscc4c3c2C1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)c1ccoc1c1c3c[nH]cc3c3cc(-c4scc5cc[se]c45)[se]c3c21 | tartarus_pce_pcdtbt |
C1=C(c2ncncn2)[SiH2]c2c1c1c(c3c2ncc2cc[se]c23)=CCC=1 | tartarus_pce_pcdtbt |
c1cc2[se]c3c4[nH]c(-c5scc6ccsc56)cc4c4c[nH]cc4c3c2[nH]1 | tartarus_pce_pcdtbt |
C1=c2ccc3c4cocc4c4c(ccc5cc(-c6cccc7cocc67)[se]c54)c3c2=CC1 | tartarus_pce_pcdtbt |
c1cc2c(-c3cc4cc5c6cocc6c6ccc7cocc7c6c5cc4s3)scc2[se]1 | tartarus_pce_pcdtbt |
C1=Cc2[nH]c3c(c2C1)[SiH2]c1cc(-c2scc4cc[nH]c24)[se]c1-3 | tartarus_pce_pcdtbt |
C1=c2ccc3oc4c5[se]c(-c6nccs6)cc5c5ccccc5c4c3c2=CC1 | tartarus_pce_pcdtbt |
C1=CCC(c2sc(-c3ccc(-c4scc5nccnc45)c4ccccc34)c3ccoc23)=C1 | tartarus_pce_pcdtbt |
CC1C(c2ccccc2Br)C2C(c3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
SC12CC(C(c3ccccc3)C1c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2NC1C13CC21C1CC3C(c2ccccc2)C1c1ccccc1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1CC3C(Nc2ccccc2)C1c1ccccc1 | tartarus_reactivity |
NC1C(c2ccccc2Cl)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
NC1C(c2ccccc2)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CCC1C2C=CC1C13C4CC(C(c5ccccc5)C4c4ccccc4)C21C3C | tartarus_reactivity |
Cc1ccccc1CC1C(N)C2CC1C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
Cc1ccccc1C1C(c2ccccc2)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1CC3C(c2ccccc2)C1c1ccccc1 | tartarus_reactivity |
OC1C(c2ccccc2)C2CC1C13CC21C1C=CC3O1 | tartarus_reactivity |
CC12C=CC(C1)C13CC21C1CC3C(c2ccccc2)C1c1ccccc1S | tartarus_reactivity |
O=CC1C(c2ccccc2)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CCC(C2C34C5C=CC(C5)C23C2CC4C(Cc3ccccc3)C2c2ccccc2)=C1 | tartarus_reactivity |
BrC12C=CC(C1)C13OC21C1CC3C(c2ccccc2)C1c1ccccc1 | tartarus_reactivity |
C=CC1C(c2ccccc2)C2CC1C13NC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
Cc1ccccc1C1C(N)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
OC1C(c2ccccc2)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C=C(C)C1C23C4C=CC(C4)C12C1CC3C(c2ccccc2)C1c1ccccc1Br | tartarus_reactivity |
CC1C(c2ccccc2)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC=CCC1C(c2ccccc2)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C1=CC2NC1C13CC21C1C(c2ccccc2)CC3C1c1ccccc1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1(c2ccccc2)CC3C(c2ccccc2)C1C1=CCC1 | tartarus_reactivity |
ClC1C(Nc2ccccc2)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
Brc1ccccc1C12C(c3ccccc3)CC(C1c1ccccc1)C13CC12C1C=CC3C1 | tartarus_reactivity |
NC1C(Cc2ccccc2)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC1C(c2ccccc2)C2CC1C13CC21C1C=CC3O1 | tartarus_reactivity |
Cc1ccccc1C1C(O)C2CC1C13CC21C1C=CC3O1 | tartarus_reactivity |
CC1C(c2ccccc2)C2CC1C13OC21C1C=CC3O1 | tartarus_reactivity |
Cc1ccccc1CC1C(O)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
OC1C(c2ccccc2)C2CC1C13NC21C1C=CC3C1 | tartarus_reactivity |
CC1C(c2ccccc2)C2CC1C13C4C=CC(C4)C21C3Br | tartarus_reactivity |
CN(CCc1ccccc1)C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC1C23C4CC(c5ccccc5)C(C4)C12C1C=CC3O1 | tartarus_reactivity |
Brc1ccccc1CC1C(c2ccccc2)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
BrC1CC2CC1C13C4C=CC(C4)C21N3Cc1ccccc1 | tartarus_reactivity |
Oc1ccccc1C1CC2C(Cc3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
Cc1ccccc1C=COc1ccccc1C1CC2CC1C13C4C=CC(S4)C21C3c1ccccc1 | tartarus_reactivity |
Cc1ccccc1CC=Cc1ccccc1CC=CC=CC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC1C2CC(c3ccccc3)C1C13CC21C1C=CC3O1 | tartarus_reactivity |
CC1C2CC(c3ccccc3CO)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
ClCCC1C(c2ccccc2)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
NCC1C(c2ccccc2)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CNCC1C2C=CC1C13CC21C1CC(C=Cc2ccccc2)C3C1 | tartarus_reactivity |
NC1C(c2ccccc2)C2OC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC1C2C(CO)C(c3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
CCc1ccccc1C=CC=C(C)C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC(=CC=Cc1ccccc1C)C1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
C=C(C)C1CC2CC1C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
C1=CC2NC1C13CC21C1CC3CC1c1ccccc1-c1ccccc1 | tartarus_reactivity |
C1=CC2(N3CCC3)OC1C13OC12C1CC3CC1c1ccccc1 | tartarus_reactivity |
O=Cc1ccccc1C1CC2CC1(c1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
CC=CC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1 | tartarus_reactivity |
OC1C(CC=CCc2ccccc2)C2CC1C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
Fc1ccccc1C=CC1CC2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC1C23C4CC(c5ccccc5)C(C4)C12C1C=CC3C1c1ccccc1 | tartarus_reactivity |
C(=CC=CC1CC2CC1C13C4C=CC(C4)C21C3c1ccccc1)C=Cc1ccccc1 | tartarus_reactivity |
C1=CC2CC1C13CC21C1(c2ccccc2)CC(c2ccccc2)C3C1 | tartarus_reactivity |
NC12C=CC(C1c1ccccc1)C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
CCCOCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
OC1C2CC(c3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC(=O)C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
OC12CC(CC1Nc1ccccc1)C13CC21C1C=CC3C1 | tartarus_reactivity |
ClC1C23C4C=CC(C4)C12C1CC3CC1c1ccccc1 | tartarus_reactivity |
C1=CC2C(c3ccccn3)C1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
IC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
FC=CCc1ccccc1C12CC(CC1c1ccccc1-c1ccccc1Br)C13CC21C1C=CC3C1 | tartarus_reactivity |
CC1C(c2ccccc2CO)C2CC1C13CC21C1C=CC3C1 | tartarus_reactivity |
Cc1ccccc1C1CC2C(c3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
COCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
CSCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C1=CC2OC1C13OC21C1CC3CC1NCc1ccccc1 | tartarus_reactivity |
C1=CC2C(c3ccccc3C3=CC3)C1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
BrCc1ccccc1C1CC2C(c3ccccc3)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC1C2CC(c3ccccc3F)C1C13CC21C1C=CC3C1 | tartarus_reactivity |
CC=Cc1ccccc1C1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C1=CC2C(c3cccnc3)C1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
Cc1ccccc1OC1C2CC(c3ccccc3C)C1C13CC21C1C=CC3N1 | tartarus_reactivity |
ClCC1C2C=CC1C13CC21C1CC(c2ccccc2)C3C1 | tartarus_reactivity |
C1=CC2C(c3ccncc3)C1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
C1=CC2C(C3=CCC3)C1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
CC=CC=CCC1C2C=CC1C13C4CC(CC4c4ccccc4)C21C3c1ccccc1 | tartarus_reactivity |
OC12C=CC(C1)C13OC21C1CC3CC1Nc1ccccc1 | tartarus_reactivity |
C1=CC2SC1C13CC21C1(c2ccccc2)CC3CC1c1ccccc1 | tartarus_reactivity |
CC=C(C)C1CC2CC1C13CC21C1C=CC3C1c1ccccc1 | tartarus_reactivity |
C(=CC1CC2CC1C13CC21C1C=CC3C1)Cc1ccccc1 | tartarus_reactivity |
C1=CC2C(c3ccccc3)C1C13CC21C1CC3CC1c1ccccc1 | tartarus_reactivity |
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