Hugging Face's logo

Datasets:
jarod0411
/
linker_v2

Modalities:
Text
Formats:
parquet
Size:
10M - 100M
Libraries:
Datasets
Dask
Dataset card Viewer Files Community
1
Dataset Viewer
Auto-converted to Parquet
Full Screen
smiles
stringlengths
15
246
p1
stringlengths
3
183
p2
stringlengths
3
174
COC(=O)c1cc(CN[C@H](C(=O)O)[C@@H]2C[C@H]3C[C@H]3C2)n2c1COCC2
CN[C@H](C(=O)O)[C@@H]1C[C@H]2C[C@H]2C1
COC(=O)c1cc(CNCC(=O)O)n2c1COCC2
COC(=O)c1cc(CN[C@H](C(=O)O)[C@@H]2C[C@H]3C[C@H]3C2)n2c1COCC2
COC(=O)c1ccn2c1COCC2
C1C[C@@H]2C[C@@H]2C1
COC(=O)c1cc(CN[C@H](C(=O)O)[C@@H]2C[C@H]3C[C@H]3C2)n2c1COCC2
CN[C@H](C(=O)O)[C@@H]1C[C@H]2C[C@H]2C1
COC(=O)c1cc(CNCC(=O)O)n2c1COCC2
COC(=O)c1cc(CN[C@H](C(=O)O)[C@@H]2C[C@H]3C[C@H]3C2)n2c1COCC2
COC(=O)c1ccn2c1COCC2
C1C[C@@H]2C[C@@H]2C1
CCS(=O)(=O)NCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1
CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1
CCS(=O)(=O)NCC(=O)N1CCCCC1
CCS(=O)(=O)NCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1
CCS(N)(=O)=O
c1ccc2[nH]ccc2c1
CCS(=O)(=O)NCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1
c1ccc2c(C3CCNCC3)c[nH]c2c1
CCS(=O)(=O)NCC(=O)N1CCCCC1
CCS(=O)(=O)NCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1
CCS(=O)(=O)NCC=O
c1ccc2[nH]ccc2c1
Cc1cc(C)c(CNCc2noc([C@@H]3CCCO3)n2)c(C)c1CO
CNCc1noc([C@@H]2CCCO2)n1
Cc1cc(C)c(CNCc2ncon2)c(C)c1CO
Cc1cc(C)c(CNCc2noc([C@@H]3CCCO3)n2)c(C)c1CO
Cc1cc(C)c(CO)c(C)c1
C1CCOC1
Fc1cccc2c1CC[C@@H]2n1cc(CNC2CCCCC2)nn1
c1[nH]nnc1CNC1CCCCC1
Fc1cccc2c1CC[C@@H]2n1ccnn1
Fc1cccc2c1CC[C@@H]2n1cc(CNC2CCCCC2)nn1
Fc1cccc2c1CCC2
CNC1CCCCC1
Fc1cccc2c1CC[C@@H]2n1cc(CNC2CCCCC2)nn1
c1[nH]nnc1CNC1CCCCC1
Cc1cn([C@H]2CCc3c(F)cccc32)nn1
Fc1cccc2c1CC[C@@H]2n1cc(CNC2CCCCC2)nn1
Fc1cccc2c1CCC2
NC1CCCCC1
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)C(=O)O)o2)c1
O=C(O)/C(S)=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
C=C(Sc1nnc(-c2cc(OC)cc(OC)c2)o1)C(=O)O
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)C(=O)O)o2)c1
COc1cc(OC)cc(-c2nnco2)c1
O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1
COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1I
O=CNC(=S)Nc1ccc(Cl)cc1Cl
COc1ccc(C(=O)NC(N)=S)cc1I
COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1I
COc1ccccc1I
Clc1cccc(Cl)c1
COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1I
O=CNC(=S)Nc1ccc(Cl)cc1Cl
COc1ccc(C(=O)NC(N)=S)cc1I
COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1I
COc1ccccc1I
Clc1cccc(Cl)c1
O=C1CC(=O)Nc2cc(S(=O)(=O)NNc3ncc(C(F)(F)F)cc3Cl)ccc2N1
O=[SH](=O)NNc1ncc(C(F)(F)F)cc1Cl
NNS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2
O=C1CC(=O)Nc2cc(S(=O)(=O)NNc3ncc(C(F)(F)F)cc3Cl)ccc2N1
O=C1CC(=O)Nc2ccccc2N1
FC(F)(F)c1cncc(Cl)c1
CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(C)c(F)c1
CCn1c(C)nnc1SCC(=O)Nc1ccc(C)c(F)c1
CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SC
CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(C)c(F)c1
CS(=O)(=O)Nc1ccc(F)cc1
Cc1ccc(NC=O)cc1F
CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(C)c(F)c1
CCn1cnnc1SCC(=O)Nc1ccc(C)c(F)c1
CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC=O
CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(C)c(F)c1
CN(c1ccc(F)cc1)S(C)(=O)=O
Cc1ccc(N)cc1F
CC1(C)C[C@H](NC(=O)COc2cccc(C(F)(F)F)c2)c2ccccc2O1
NC(=O)COc1cccc(C(F)(F)F)c1
CC1(C)C[C@H](NC(=O)CO)c2ccccc2O1
CC1(C)C[C@H](NC(=O)COc2cccc(C(F)(F)F)c2)c2ccccc2O1
CC1(C)CCc2ccccc2O1
FC(F)(F)c1ccccc1
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1
Cc1ccc(C)c(OCC(=O)Nc2ccccc2)c1
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(C)=O)cc1
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1
C=CCN(CC=C)[SH](=O)=O
Cc1ccc(C)c(O)c1
O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)N1CCN(c2ccccn2)CC1
C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O
O=C1NC(O)=N[C@@H]1CC(=O)N1CCN(c2ccccn2)CC1
O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)N1CCN(c2ccccn2)CC1
O=CN1CCN(c2ccccn2)CC1
Cc1ccccc1Cl
O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)N1CCN(c2ccccn2)CC1
O=CN1CCN(c2ccccn2)CC1
O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)N1CCNCC1
O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)N1CCN(c2ccccn2)CC1
C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O
c1ccncc1
O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1cc(C(F)(F)F)ccc1Cl
O=C1NCS[C@H]1Cc1cc(C(F)(F)F)ccc1Cl
C[C@@H]1S/C(=N/N=C/c2ccccc2)NC1=O
O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1cc(C(F)(F)F)ccc1Cl
N/N=C/c1ccccc1
FC(F)(F)c1ccc(Cl)cc1
O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1cc(C(F)(F)F)ccc1Cl
N=C1NC(=O)[C@H](Cc2cc(C(F)(F)F)ccc2Cl)S1
C[C@@H]1S/C(=N/N=C/c2ccccc2)NC1=O
O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1cc(C(F)(F)F)ccc1Cl
N=Cc1ccccc1
FC(F)(F)c1ccc(Cl)cc1
COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1
Cc1ccccc1CS(=O)(=O)N1CCC(C(N)=O)CC1
COc1ccc(Cl)cc1NC(=O)C1CCNCC1
COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1
COc1ccc(Cl)cc1
Cc1ccccc1C[SH](=O)=O
COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1
Cc1ccccc1CS(=O)(=O)N1CCCCC1
COc1ccc(Cl)cc1NC(=O)C1CCNCC1
COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1
COc1ccc(Cl)cc1NC=O
Cc1ccccc1C[SH](=O)=O
Nc1c(C(=O)c2ccccc2Cl)cnn1-c1ccc(F)c(Cl)c1
Nc1ccnn1-c1ccc(F)c(Cl)c1
Nc1[nH]ncc1C(=O)c1ccccc1Cl
Nc1c(C(=O)c2ccccc2Cl)cnn1-c1ccc(F)c(Cl)c1
O=Cc1ccccc1Cl
Fc1ccccc1Cl
Nc1c(C(=O)c2ccccc2Cl)cnn1-c1ccc(F)c(Cl)c1
Nc1ccnn1-c1ccc(F)c(Cl)c1
Nc1[nH]ncc1C(=O)c1ccccc1Cl
Nc1c(C(=O)c2ccccc2Cl)cnn1-c1ccc(F)c(Cl)c1
O=Cc1ccccc1Cl
Fc1ccccc1Cl
CCc1nnc(S)n1CCNC(=O)COC
CNC(=O)COC
CCc1nnc(S)n1CCNC=O
CCc1nnc(S)n1CCNC(=O)COC
CCc1nnc(S)n1C
COC
Cn1cc(CN2CCn3cnc(COCC4CC4)c3C2)cn1
c1nc(COCC2CC2)c2n1CCNC2
Cn1cc(CN2CCn3cncc3C2)cn1
Cn1cc(CN2CCn3cnc(COCC4CC4)c3C2)cn1
Cc1cnn(C)c1
COCC1CC1
Cn1cc(CN2CCn3cnc(COCC4CC4)c3C2)cn1
CN1CCn2cnc(COCC3CC3)c2C1
Cn1cc(CN2CCn3cncc3C2)cn1
Cn1cc(CN2CCn3cnc(COCC4CC4)c3C2)cn1
Cn1cccn1
COCC1CC1
CCOC(=O)c1ccccc1NC(=O)c1cc2ccccc2cc1OC
COc1cc2ccccc2cc1C(=O)Nc1ccccc1
CCOC(=O)c1ccccc1NC=O
CCOC(=O)c1ccccc1NC(=O)c1cc2ccccc2cc1OC
CCOC=O
COc1ccc2ccccc2c1
CC(C)N(C(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1cccnc1
O=CCc1ccc(NC(=O)C2CC2)cc1
CC(C)N(C(=O)Cc1ccccc1)c1cccnc1
CC(C)N(C(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1cccnc1
CC(C)Nc1cccnc1
NC(=O)C1CC1
CC(C)N(C(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1cccnc1
CC(C)N(C=O)c1cccnc1
CC(C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1
CC(C)N(C(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1cccnc1
Cc1ccc(NC(=O)C2CC2)cc1
c1ccncc1
O=C(CCn1ccnn1)NCc1ccccc1-n1cccn1
NCc1ccccc1-n1cccn1
O=C(CCn1ccnn1)NCc1ccccc1
O=C(CCn1ccnn1)NCc1ccccc1-n1cccn1
O=CCCn1ccnn1
c1cn[nH]c1
CCN1CCO[C@H](CNCc2cnn(Cc3ccccc3)c2)C1
CNCc1cnn(Cc2ccccc2)c1
CCN1CCO[C@H](CNCc2cn[nH]c2)C1
CCN1CCO[C@H](CNCc2cnn(Cc3ccccc3)c2)C1
CCN1CCOCC1
Cc1ccccc1
CCN1CCO[C@H](CNCc2cnn(Cc3ccccc3)c2)C1
CNCc1cnn(Cc2ccccc2)c1
CCN1CCO[C@H](CNCc2cn[nH]c2)C1
CCN1CCO[C@H](CNCc2cnn(Cc3ccccc3)c2)C1
CCN1CCOCC1
Cc1ccccc1
Cc1cc(F)ccc1NC(=O)[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1
C[C@H](C=O)NC(=O)c1c[nH]nc1-c1ccccc1
Cc1cc(F)ccc1NC(=O)[C@@H](C)NC=O
Cc1cc(F)ccc1NC(=O)[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1
Cc1cc(F)ccc1N
c1ccc(-c2cc[nH]n2)cc1
O=C(CCc1ccc(F)cc1)NCc1ccc(C(=O)N2CCCC2)cc1
O=CNCc1ccc(C(=O)N2CCCC2)cc1
O=C(CCc1ccc(F)cc1)NCc1ccccc1
O=C(CCc1ccc(F)cc1)NCc1ccc(C(=O)N2CCCC2)cc1
CCc1ccc(F)cc1
O=CN1CCCC1
O=C(CCc1ccc(F)cc1)NCc1ccc(C(=O)N2CCCC2)cc1
O=CNCc1ccc(C(=O)N2CCCC2)cc1
O=C(CCc1ccc(F)cc1)NCc1ccccc1
O=C(CCc1ccc(F)cc1)NCc1ccc(C(=O)N2CCCC2)cc1
CCc1ccc(F)cc1
O=CN1CCCC1
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1OC
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)C2)cc1
COc1ccc([C@@H]2C=C(O)C(=O)N2c2nc(C)c(C)s2)cc1OC
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1OC
COc1ccccc1OC
Cc1ccc(C=O)cc1
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1OC
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)C2)cc1
COc1ccc([C@@H]2C=C(O)C(=O)N2c2nc(C)c(C)s2)cc1OC
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1OC
COc1ccccc1OC
Cc1ccc(C=O)cc1
Cc1ncsc1CCC(=O)N1Cc2cnc(CC(C)C)nc2C1
CC(C)Cc1ncc2c(n1)CNC2
Cc1ncsc1CCC(=O)N1Cc2cncnc2C1
Cc1ncsc1CCC(=O)N1Cc2cnc(CC(C)C)nc2C1
Cc1ncsc1CCC=O
CC(C)C
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1
CC(C)(C)OC(=O)N1CCC[C@H]1C=O
C[C@@H](NC(=O)[C@@H]1CCCN1)c1ccccc1
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1
C[C@@H](N)c1ccccc1
CC(C)(C)OC=O
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1
CC(C)(C)OC(=O)N1CCC[C@H]1C(N)=O
C[C@@H](NC(=O)[C@@H]1CCCN1)c1ccccc1
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1
CCc1ccccc1
CC(C)(C)OC=O
C[C@H]1Cc2cc(C(=O)O[C@@H](C(N)=O)c3ccccc3)ccc2N1S(C)(=O)=O
C[C@H]1Cc2cc(C=O)ccc2N1S(C)(=O)=O
C[C@H]1Cc2cc(C(=O)O[C@@H](C(N)=O)c3ccccc3)ccc2N1
C[C@H]1Cc2cc(C(=O)O[C@@H](C(N)=O)c3ccccc3)ccc2N1S(C)(=O)=O
NC(=O)[C@H](O)c1ccccc1
C[SH](=O)=O
CCn1ccnc1C1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2C)CC1
Cc1c(C(=O)N2CCCCC2)[nH]c2ccc(Cl)cc12
CCn1ccnc1C1CCN(C=O)CC1
CCn1ccnc1C1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2C)CC1
CCn1ccnc1
Cc1c[nH]c2ccc(Cl)cc12
CCn1ccnc1C1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2C)CC1
Cc1c(C(=O)N2CCCCC2)[nH]c2ccc(Cl)cc12
CCn1ccnc1C1CCN(C=O)CC1
CCn1ccnc1C1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2C)CC1
CCn1ccnc1
Cc1c[nH]c2ccc(Cl)cc12
COc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)c1O
C[C@@H]1C[C@@H](C)CN(c2ncnc3ccccc23)C1
COc1cccc(-c2ncc3ccccc3n2)c1O
COc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)c1O
COc1ccccc1O
C[C@H]1CNC[C@H](C)C1
COc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)c1O
C[C@@H]1C[C@@H](C)CN(c2ncnc3ccccc23)C1
COc1cccc(-c2ncc3ccccc3n2)c1O
COc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)c1O
COc1ccccc1O
C[C@H]1CNC[C@H](C)C1
COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(N)=O)cc2)cc1
C[C@@H](C=O)OC(=O)c1ccc(NC(N)=O)cc1
COc1ccc(C(=O)[C@H](C)OC=O)cc1
COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(N)=O)cc2)cc1
COc1ccccc1
NC(=O)Nc1ccccc1
COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(N)=O)cc2)cc1
C[C@@H](C=O)OC(=O)c1ccc(NC(N)=O)cc1
COc1ccc(C(=O)[C@H](C)OC=O)cc1
COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(N)=O)cc2)cc1
COc1ccccc1
NC(=O)Nc1ccccc1
Cc1cc(NC(=O)CN2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)no1
CN1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1
Cc1cc(NC(=O)CN2CC[C@@H]3[C@H]2C2CCN3CC2)no1
Cc1cc(NC(=O)CN2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)no1
Cc1cc(NC=O)no1
c1ccccc1
Cc1cc(NC(=O)CN2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)no1
NC(=O)CN1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1
Cc1cc(NC(=O)CN2CC[C@@H]3[C@H]2C2CCN3CC2)no1
Cc1cc(NC(=O)CN2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)no1
Cc1ccno1
c1ccccc1
COc1cc(OC)c(OC)cc1/C=N/c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl
C=Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl
COc1cc(OC)c(OC)cc1/C=N/c1ccccc1Cl
COc1cc(OC)c(OC)cc1/C=N/c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl
COc1ccc(OC)c(OC)c1
O=[SH](=O)N1CCCCCC1
End of preview. Expand in Dataset Viewer.
README.md exists but content is empty.
Downloads last month
37
Size of downloaded dataset files:
807 MB
Size of the auto-converted Parquet files:
807 MB
Number of rows:
26,762,158

Models trained or fine-tuned on jarod0411/linker_v2