SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
C1=C(c2scc3cc[se]c23)Cc2c1sc1ccc3c[nH]cc3c21 | tartarus_pce_pcdtbt |
c1cc2c(-c3cc4c5nsnc5c5c(cnc6ccc7c[nH]cc7c65)c4o3)scc2[nH]1 | tartarus_pce_pcdtbt |
c1c[se]c(-c2cc3[nH]c4c5c6ccccc6ccc5c5cscc5c4c3o2)c1 | tartarus_pce_pcdtbt |
c1coc(-c2cc3c4c[nH]cc4c4c5[se]ccc5c5ccccc5c4c3c3nsnc23)c1 | tartarus_pce_pcdtbt |
C1=Cc2[se]c3cc(-c4scc5[se]ccc45)c4nsnc4c3c2[SiH2]1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)ccc1ncc3c4sccc4c4nsnc4c3c12 | tartarus_pce_pcdtbt |
C1=Cc2c(csc2-c2cc3c4c(c5cc6cc[se]c6cc5c3c3c[nH]cc23)=CCC=4)C1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)c(-c1scc3ccoc13)cc1oc3c4[se]ccc4c4ccccc4c3c12 | tartarus_pce_pcdtbt |
C1=Cc2c(-c3ccc(-c4cncc5nsnc45)c4cscc34)sc(-c3ncncn3)c2[SiH2]1 | tartarus_pce_pcdtbt |
c1coc(-c2cc3c4ccccc4c4c5c6ccccc6ccc5c5nsnc5c4c3s2)c1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)c1cc(-c3scc4nccnc34)sc1c1c3ccccc3c3ccoc3c21 | tartarus_pce_pcdtbt |
C1=C(c2ccc[se]2)Cc2c1[nH]c1c2oc2ccc3ccccc3c21 | tartarus_pce_pcdtbt |
c1c[se]c(-c2cnc3c(c2)c2cocc2c2c4c5c[nH]cc5ccc4c4cocc4c32)c1 | tartarus_pce_pcdtbt |
c1cnc2cc3c(cnc4cc(-c5cncc6nsnc56)c5ccccc5c43)cc2c1 | tartarus_pce_pcdtbt |
c1ccc(-c2cc3cc4c(cc3c3cocc23)c2c3c[nH]cc3ccc2c2nsnc42)cc1 | tartarus_pce_pcdtbt |
c1cc2c(-c3cc4c5cscc5c5c6c(ccc7nsnc76)c6cocc6c5c4s3)scc2[nH]1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)ccc1cnc3c([nH]c4cc(-c5ncncn5)oc43)c12 | tartarus_pce_pcdtbt |
C1=Cc2csc(-c3ccc4c(c3)ncc3cc5cc[se]c5cc34)c2C1 | tartarus_pce_pcdtbt |
C1=c2c(c3c(cnc4cc[se]c43)c3[se]c(-c4ccccc4)cc23)=CC1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)ccc1c2cc(-c2cc3occc3c3nsnc23)c2nsnc21 | tartarus_pce_pcdtbt |
c1cc2c(-c3cnc4c(c3)c3nsnc3c3c4cnc4ccc5c[nH]cc5c43)scc2o1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)ccc1ccc3c4[nH]c(-c5cncc6nsnc56)cc4c4nsnc4c3c12 | tartarus_pce_pcdtbt |
C1=Cc2c(c3oc4cc(-c5nccc6nsnc56)c5ccccc5c4c3c3ccccc23)C1 | tartarus_pce_pcdtbt |
C1=Cc2c(c3[se]c4cc(-c5scc6nccnc56)c5c(c4c3c3cocc23)=C[SiH2]C=5)C1 | tartarus_pce_pcdtbt |
C1=c2c(c3c4cnc(-c5ccc[se]5)cc4[se]c3c3ncccc23)=C[SiH2]1 | tartarus_pce_pcdtbt |
c1cc(-c2cc3cnc4c5ccccc5c5cocc5c4c3c3c[nH]cc23)c2cscc2c1 | tartarus_pce_pcdtbt |
C1=Cc2csc(-c3cc4[nH]c5c6ccccc6cnc5c4[se]3)c2C1 | tartarus_pce_pcdtbt |
C1=c2c(-c3scc4[se]ccc34)cc3c4c(c5ccc6cscc6c5c3c2=CC1)=CCC=4 | tartarus_pce_pcdtbt |
c1ccc2c(c1)ccc1c3nsnc3c3cc(-c4cccc5nsnc45)c4cocc4c3c21 | tartarus_pce_pcdtbt |
C1=c2c(c3c4cnc(-c5scc6cc[se]c56)cc4[se]c3c3occc23)=CC1 | tartarus_pce_pcdtbt |
c1c[nH]c(-c2ccc3c(c2)c2cocc2c2c4c5cocc5ccc4c4ccccc4c32)c1 | tartarus_pce_pcdtbt |
C1=Cc2csc(-c3cc4c5c(c6cc7ccsc7cc6c4[se]3)=C[SiH2]C=5)c2C1 | tartarus_pce_pcdtbt |
C1=C(c2scc3ccsc23)[SiH2]c2c1cnc1c2ccc2ccc3cocc3c21 | tartarus_pce_pcdtbt |
C1=Cc2csc(C3=Cc4c(c5[se]c6ccc7ccccc7c6c5c5c[nH]cc45)C3)c2C1 | tartarus_pce_pcdtbt |
c1ncnc(-c2cc3c4cocc4c4c5c6cocc6ccc5c5cocc5c4c3[se]2)n1 | tartarus_pce_pcdtbt |
C1=Cc2csc(-c3cc4c5ccccc5c5c(oc6cc[se]c65)c4c4cocc34)c2C1 | tartarus_pce_pcdtbt |
c1cc(-c2cc3ccc4c5occc5c5c[nH]cc5c4c3c3ccccc23)c2nsnc2c1 | tartarus_pce_pcdtbt |
C1=C(c2scc3ccoc23)Cc2c1c1c(c3c2[se]c2ccc4c[nH]cc4c23)=C[SiH2]C=1 | tartarus_pce_pcdtbt |
C1=Cc2c(-c3sc(-c4scc5sccc45)c4nccnc34)sc(-c3ncncn3)c2[SiH2]1 | tartarus_pce_pcdtbt |
C1=Cc2csc(-c3cc4[se]c5cc[nH]c5c4c4ccccc34)c2C1 | tartarus_pce_pcdtbt |
c1c[nH]c(-c2ccc3c(c2)c2cscc2c2c4c5c[nH]cc5ccc4c4nsnc4c32)c1 | tartarus_pce_pcdtbt |
C1=c2c(c3c(ncc4ccc5cocc5c43)c3cnc(-c4scc5[se]ccc45)cc23)=CC1 | tartarus_pce_pcdtbt |
C1=c2c(-c3scc4cc[se]c34)cc3[se]c4c5[nH]ccc5c5c(c4c3c2=CC1)=CCC=5 | tartarus_pce_pcdtbt |
c1cc(-c2cc3cnc4c5cnccc5c5cocc5c4c3c3cscc23)c2c[nH]cc2c1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)ccc1c3nsnc3c3c4ccc(-c5cccc6nsnc56)cc4cnc3c21 | tartarus_pce_pcdtbt |
C1=Cc2c(csc2-c2cc3[se]c4c(ncc5ccc6cocc6c54)c3c3nsnc23)[SiH2]1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)ccc1c3nsnc3c3c4occc4c4cscc4c3c21 | tartarus_pce_pcdtbt |
C1=c2c(-c3cccc4nsnc34)cc3cnc4c([nH]c5cc[se]c54)c3c2=CC1 | tartarus_pce_pcdtbt |
C1=c2ccc3cnc4c(cnc5cc(-c6ccccn6)cnc54)c3c2=CC1 | tartarus_pce_pcdtbt |
C1=c2c(-c3scc4nccnc34)cc3c4ccccc4c4c5[nH]ccc5[se]c4c3c2=CC1 | tartarus_pce_pcdtbt |
C1=c2c(-c3ccco3)cc3c4cocc4c4c(cnc5ccc6cocc6c54)c3c2=CC1 | tartarus_pce_pcdtbt |
C1=C(c2ccc[se]2)[SiH2]c2c1c1ccccc1c1c3sccc3c3cscc3c21 | tartarus_pce_pcdtbt |
c1ccc2c(c1)ccc1c3c[nH]cc3c3c([nH]c4cc[se]c43)c21 | tartarus_pce_pcdtbt |
C1=c2c(c3c4cnc(-c5ccc[se]5)cc4[nH]c3c3c2ccc2c[nH]cc23)=CC1 | tartarus_pce_pcdtbt |
C1=Cc2csc(-c3cc4sc5c(ccc6cc[se]c65)c4c4cocc34)c2C1 | tartarus_pce_pcdtbt |
c1cnc2c(c1)[nH]c1c3cnc(-c4scc5cc[se]c45)cc3c3c[nH]cc3c21 | tartarus_pce_pcdtbt |
C1=c2cccc(-c3cc4cnc5c(ccc6ccc7c(c65)=C[SiH2]C=7)c4cn3)c2=C[SiH2]1 | tartarus_pce_pcdtbt |
C1=Cc2csc(-c3cc4cc5c6c(c7cc[se]c7c5cc4o3)=CCC=6)c2C1 | tartarus_pce_pcdtbt |
C1=c2ccc3[se]c4c5c6cscc6c(-c6ccc[se]6)cc5c5cocc5c4c3c2=C[SiH2]1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)c(-c1scc3occc13)cc1[se]c3c4[nH]ccc4c4cocc4c3c12 | tartarus_pce_pcdtbt |
C1=Cc2c(csc2-c2cc3[nH]c4c([se]c5ccc6cscc6c54)c3o2)C1 | tartarus_pce_pcdtbt |
C1=C[SiH2]C(c2cc3[nH]c4c(oc5ccc6ccccc6c54)c3[se]2)=C1 | tartarus_pce_pcdtbt |
C1=Cc2csc(-c3cc4c5cocc5c5c6occc6c6c[nH]cc6c5c4[se]3)c2[SiH2]1 | tartarus_pce_pcdtbt |
C1=C(c2cccc3c2=C[SiH2]C=3)Cc2c1[se]c1c3cnccc3c3ccccc3c21 | tartarus_pce_pcdtbt |
C1=c2c(c3c([se]c4cc(-c5ccccn5)c5cscc5c43)c3occc23)=CC1 | tartarus_pce_pcdtbt |
C1=c2c(c3cc[se]c3c3cc4c(cc(-c5scc6cc[se]c56)c5cscc54)cc23)=CC1 | tartarus_pce_pcdtbt |
C1=c2c(-c3cncc4nsnc34)cc3cc4ncc5ccc6cocc6c5c4cc3c2=C[SiH2]1 | tartarus_pce_pcdtbt |
C1=c2ccc3ncc4cc5cc(-c6scc7cc[se]c67)ccc5cc4c3c2=CC1 | tartarus_pce_pcdtbt |
c1c[nH]c(-c2cc3cc4[se]c5ccc6cscc6c5c4cc3[nH]2)c1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)c1cc[se]c1c1ncc3cc(-c4scc5[nH]ccc45)c4cscc4c3c21 | tartarus_pce_pcdtbt |
c1ncc(-c2ccc3c(c2)[nH]c2c3[se]c3ccc4c[nH]cc4c32)s1 | tartarus_pce_pcdtbt |
C1=C(c2scc3[nH]ccc23)Cc2c1c1cscc1c1c2[se]c2ccc3ccccc3c21 | tartarus_pce_pcdtbt |
C1=Cc2csc(-c3cc4c5c(c6cc[se]c6c4o3)=C[SiH2]C=5)c2[SiH2]1 | tartarus_pce_pcdtbt |
C1=C(c2scc3[se]ccc23)[SiH2]c2c1[nH]c1c2[SiH2]c2ccc3c[nH]cc3c2-1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)c(-c1ncncn1)cc1cc3cc4cnccc4cc3cc12 | tartarus_pce_pcdtbt |
C1=Cc2[se]c3c4c(ncc3c2C1)C=C(c1scc2c1[SiH2]C=C2)C4 | tartarus_pce_pcdtbt |
c1c[nH]c(-c2cc3c4ccccc4c4c5occc5[se]c4c3cn2)c1 | tartarus_pce_pcdtbt |
C1=Cc2[nH]c(-c3cnc4ccc5cocc5c4c3)cc2[SiH2]1 | tartarus_pce_pcdtbt |
C1=c2c(c3c(cnc4ccc5cscc5c43)c3sc(-c4scc5cc[se]c45)cc23)=C[SiH2]1 | tartarus_pce_pcdtbt |
c1ccc(-c2cc3sc4c(cnc5ccc6ccccc6c54)c3c3nsnc23)nc1 | tartarus_pce_pcdtbt |
C1=CCC(c2cc3c4nsnc4c4c5c(c6c[nH]cc6c4c3[se]2)C=CC5)=C1 | tartarus_pce_pcdtbt |
C1=c2c(c3ccc4cocc4c3c3cc4ncc(-c5scc6cc[se]c56)cc4cc23)=C[SiH2]1 | tartarus_pce_pcdtbt |
C1=Cc2csc(-c3cc4ncc5c([nH]c6cc[se]c65)c4c4cscc34)c2C1 | tartarus_pce_pcdtbt |
C1=c2c(-c3scc4sccc34)cc3[se]c4c(cnc5ccc6c[nH]cc6c54)c3c2=CC1 | tartarus_pce_pcdtbt |
c1c[nH]c(-c2cc3sc4c5c6ccccc6ccc5c5nsnc5c4c3c3ccccc23)c1 | tartarus_pce_pcdtbt |
C1=c2c(c3c([nH]c4cc(-c5scc6ccsc56)[se]c43)c3c2ccc2cocc23)=CC1 | tartarus_pce_pcdtbt |
C1=c2ccc3oc4c([nH]c5cc(-c6scc7[se]ccc67)oc54)c3c2=CC1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)c(-c1scc3ccsc13)cc1cnc3c(cnc4ccc5cocc5c43)c12 | tartarus_pce_pcdtbt |
c1c[nH]c(-c2sc(-c3sc(-c4scc5nccnc45)c4[nH]ccc34)c3[se]ccc23)c1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)c1ccc3c[nH]cc3c1c1oc3cc(-c4scc5occc45)oc3c21 | tartarus_pce_pcdtbt |
c1cnc2cc3c(cc2c1)Cc1cc(-c2cccc4nsnc24)[nH]c1-3 | tartarus_pce_pcdtbt |
c1ccc2c(c1)c(-c1nccs1)cc1sc3c4[se]ccc4c4ccccc4c3c12 | tartarus_pce_pcdtbt |
C1=Cc2c(-c3cnc(-c4scc5cc[nH]c45)s3)sc(-c3scc4nccnc34)c2[SiH2]1 | tartarus_pce_pcdtbt |
C1=c2c(c3c(cnc4cc(-c5scc6sccc56)c5cscc5c43)c3[se]ccc23)=CC1 | tartarus_pce_pcdtbt |
C1=Cc2[nH]c3c([se]c4cc(-c5scc6[se]ccc56)c5c[nH]cc5c43)c2C1 | tartarus_pce_pcdtbt |
c1cc2c(-c3cc4cc5ncc6ccc7cocc7c6c5cc4[se]3)scc2[se]1 | tartarus_pce_pcdtbt |
C1=C(c2cccc3nsnc23)[SiH2]c2c1[se]c1c2c2c(c3ccsc31)=CCC=2 | tartarus_pce_pcdtbt |
C1=C(c2scc3cc[nH]c23)Cc2c1c1cocc1c1c2[se]c2ccc3c[nH]cc3c21 | tartarus_pce_pcdtbt |
c1ccc2c(c1)c1cc(-c3scc4nccnc34)[se]c1c1sc3ccc4cscc4c3c21 | tartarus_pce_pcdtbt |
C1=Cc2c(csc2-c2cc3c4cscc4c4c5[se]ccc5c5ccccc5c4c3o2)[SiH2]1 | tartarus_pce_pcdtbt |
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