type
string
sequence
string
canonical_smiles
string
pKd_value
float64
label
int64
buffer
string
origin
string
source
string
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Nc1ccc2nc(C3CCNCC3)[nH]c2c1
3.30103
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1
3.511449
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Clc1cc2nc(C3CCNCC3)[nH]c2cc1Cl
3.759451
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
N[C@H]1CC[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C1
3.30103
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
COC(=O)c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1
3
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
O=[N+]([O-])c1ccc2nc(C3CCCCC3)[nH]c2c1
3
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
O=[N+]([O-])c1ccc2nc(-c3ccncc3)[nH]c2c1
3
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
O=[N+]([O-])c1ccc2nc(-c3cccnc3)[nH]c2c1
3
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1
3
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1
3.910095
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NC1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1
3.978811
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CC(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1
3
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CN1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1
3
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
COc1ccc2nc(C3CCNCC3)[nH]c2c1
3.230623
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccc2nc(C3CCNCC3)[nH]c2c1
3.357535
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Brc1ccc2nc(C3CCNCC3)[nH]c2c1
3.442493
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Clc1ccc2nc(C3CCNCC3)[nH]c2c1
3.294136
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
FC(F)(F)c1ccc2nc(C3CCNCC3)[nH]c2c1
3.551294
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1cc2[nH]c(C3CCNCC3)nc2cc1Cl
3.420216
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
c1ccc2[nH]c(C3CCNCC3)nc2c1
3.744727
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
c1cc2nc(C3CCNCC3)[nH]c2cn1
3.958607
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
c1cnc2nc(C3CCNCC3)[nH]c2c1
3.271646
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
c1ncc2[nH]c(C3CCNCC3)nc2n1
3.039054
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
c1ccc2sc(C3CCNCC3)nc2c1
3
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
FC(F)(F)c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1
3.669586
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
FC(F)(F)c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)c(C(F)(F)F)c1
3.798603
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Fc1c(F)c(F)c(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)c(F)c1F
3.625252
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Fc1c(F)c(C(F)(F)F)c(F)c(F)c1Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21
3.931814
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
O=[N+]([O-])c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1
3.617983
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
COC(=O)c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1
3.649752
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Clc1cc2nc(C3CCNCC3)n(Cc3ccc(I)cc3)c2cc1Cl
3.703335
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Clc1cc2nc(C3CCNCC3)n(Cc3cccc(I)c3)c2cc1Cl
3.392545
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Clc1cc2nc(C3CCNCC3)n(Cc3ccc(Br)cc3)c2cc1Cl
3.36251
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CC(C)(C)c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1
3.240332
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Clc1cc2nc(C3CCNCC3)n(Cc3ccncc3)c2cc1Cl
4.221849
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Clc1cc2nc(C3CCNCC3)n(Cc3cccnc3)c2cc1Cl
4.173925
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CCCCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21
3.555955
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21
3.621602
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
COC(=O)Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21
3.521434
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Clc1cc2nc(C3CCNCC3)n(Cc3ccccc3Br)c2cc1Cl
3.226945
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Clc1ccc2scc(Cn3c(C4CCNCC4)nc4cc(Cl)c(Cl)cc43)c2c1
3
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Clc1cc2nc(C3CCNCC3)n(Cc3ncccn3)c2cc1Cl
3.172631
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccc(S(=O)(=O)Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1
3
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccc(OC(=O)Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1
3
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
3.443697
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
COc1ccc2nc3cc(Cl)ccc3c(NCCCCc3c(N)nc(N)nc3N)c2c1
3.522879
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1nc2nc(NCCN)ccc2c(C)c1C
6.356547
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1nc2nc(NCCCN)ccc2c(C)c1C
6
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1nc2nc(NCCCCN)ccc2c(C)c1C
5.79588
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NCCNc1ccc2cccnc2n1
4.585027
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1cc(C)c2ccc(NCCN)nc2n1
5.638272
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccnc(NCCN)c1
4.920819
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CO[C@@H]1O[C@H](CN)[C@@H](O)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2N)[C@H]1N
4.161151
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1OCn1cnc2ccccc21
3.175874
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1OCn1c(C(F)(F)F)nc2ccccc21
3.357535
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1OCn1ccc(I)n1
3.166216
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1OSc1cncnc1
3.31158
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1OSc1cnc(C(F)(F)F)nc1
2.966979
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1OC[N+]1N=Nc2cccnc21
3.25649
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1OC[N+]1N=Nc2ncccc21
3.25649
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1OCn1nc2cccnc2n1
3.25649
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1OCn1ccc(C(F)(F)F)n1
3.355561
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1OCn1nccc1C(F)(F)F
3.355561
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CNC1C(OC2OC(Cn3cc(CCC(=O)Nc4cccc(-c5csc(NC(C)=O)n5)c4)nn3)C(N)C(O)C2O)OC2CC(N)C(OC3C(N)CC(N)C(O)C3O)OC2C1O
5.69897
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O
5.69897
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O
6.958607
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGAUUAUGUCC
Nc1ncnc2nc[nH]c12
6.39794
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGAUUAUGUCC
Nc1ncc2[nH]cnc2n1
5.789147
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGAUUAUGUCC
Nc1cc(N)nc(N)n1
4.69897
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGAUUAUGUCC
Nc1nc(N)c2[nH]cnc2n1
7.69897
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGAUUAUGUCC
NC1=NC2(N)N=CN=C2C=N1
8.39794
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGACUAUGUCC
Nc1ncnc2nc[nH]c12
6.328827
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGACUAUGUCC
O=c1nc[nH]c2nc[nH]c12
7.30103
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGACUAUGUCC
Nc1nc2nc[nH]c2c(=O)[nH]1
8.30103
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGACUAUGUCC
NC1=NC2(N)N=CN=C2C=N1
7.769551
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGACUAUGUCC
Nc1nc(NO)c2[nH]cnc2n1
7.69897
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGACUAUGUCC
Nc1nc(N)c(N)c(=O)[nH]1
7
1
null
null
RSAPred
RNA
GGCUUAUCAAGAGAGGUGGAGGGACUGGCCCGAUGAAACCCGGCAACCAGAAAUGGUGCCAAUUCCUGCAGCGGAAACGUUGAAAGAUGAGCCA
C[S+](CCC(N)C(=O)[O-])CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
8
1
null
null
RSAPred
RNA
GGACUCGGGGUGCCCUUCUGCGUGAAGGCUGAGAAAUACCCGUAUCACCUGAUCUGGAUAAUGCCAGCGUAGGGAAGUUC
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)([O-])O)c2C)c(N)n1
6.221849
1
null
null
RSAPred
RNA
GGAAUAAUUGUAUAACCUCAAUAAUAUGGUUUGAGGGUGUCUACCAGGAACCGUAAAAUCCUGAUUACAA
Nc1ncnc2nc[nH]c12
6.235824
1
null
null
RSAPred
RNA
GGCGUGUAGGAUAUGCUUCGGCAGAAGGACACGCC
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C
8.920819
1
null
null
RSAPred
RNA
AGUAGAUGUGCUAGCAAAACAUCUUUAAAAAACUAGACUUGGGGUGCAAGUCCCCUUUUUUAUUGCUUAAAUUU
NCc1c[nH]c2nc(N)[nH]c(=O)c12
6.548214
1
null
null
RSAPred
RNA
GGUAACCACUAGGGGUGUCCUUCAUAAGGGCUGAGAUAAAAGUGUGACUUUUAGACCCUCAUAACUUGAACAGGUUCAGACCUGCGUAGGGAAGUGGAGC
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)([O-])O)c2C)c(N)n1
6.305395
1
null
null
RSAPred
RNA
GGCUUAUCAAGAGAGGUGGAGGGACUGGCCCGAUGAAACCCGGCAACCAGAAAUGGUGCCAAUUCCUGCAGCGGAAACGUUGAAAGAUGAGCCA
C[S+](CCC(N)C(=O)[O-])CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
5.869666
1
null
null
RSAPred
RNA
GGUAACCACUAGGGGUGUCCUUCAUAAGGGCUGAGAUAAAAGUGUGACUUUUAGACCCUCAUAACUUGAACAGGUUCAGACCUGCGUAGGGAAGUGGAGC
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)([O-])O)c2C)c(N)n1
7.30103
1
null
null
RSAPred
RNA
GGUAACCACUAGGGGUGUCCUUCAUAAGGGCUGAGAUAAAAGUGUGACUUUUAGACCCUCAUAACUUGAACAGGUUCAGACCUGCGUAGGGAAGUGGAGC
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
4.30103
1
null
null
RSAPred
RNA
GGUAACCACUAGGGGUGUCCUUCAUAAGGGCUGAGAUAAAAGUGUGACUUUUAGACCCUCAUAACUUGAACAGGUUCAGACCUGCGUAGGGAAGUGGAGC
Br.Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1.[Br-]
5.221849
1
null
null
RSAPred
RNA
GGAAUAAUUGUAUAACCUCAAUAAUAUGGUUUGAGGGUGUCUACCAGGAACCGUAAAAUCCUGAUUACAA
Nc1nc(N)c2[nH]cnc2n1
7.60206
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGACUAUGUCC
Nc1nc(=O)c(N)c(N)[nH]1
7
1
null
null
RSAPred
RNA
GGAUCAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGACUAUGGUC
O=c1[nH]c(NC2CCCCC2)nc2nc[nH]c12
5.187087
1
null
null
RSAPred
RNA
UAUCAGUUAUAUGACUGACGGAACGUGGAAUUAACCACAUGAAGUAUAACGAUGACAAUGCCGACCGUCUGGGCG
NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N
6.49485
1
null
null
RSAPred
RNA
UAUCAGUUAUAUGACUGACGGAACGUGGAAUUAACCACAUGAAGUAUAACGAUGACAAUGCCGACCGUCUGGGCG
NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N
5.638272
1
null
null
RSAPred
RNA
UAUCAGUUAUAUGACUGACGGAACGUGGAAUUAACCACAUGAAGUAUAACGAUGACAAUGCCGACCGUCUGGGCG
NC(=O)c1ncn(-c2ccncc2)c1N
5.853872
1
null
null
RSAPred
RNA
UAUCAGUUAUAUGACUGACGGAACGUGGAAUUAACCACAUGAAGUAUAACGAUGACAAUGCCGACCGUCUGGGCG
NC(=O)c1ncn(C2CCNCC2)c1N
5.060481
1
null
null
RSAPred
RNA
UAUCAGUUAUAUGACUGACGGAACGUGGAAUUAACCACAUGAAGUAUAACGAUGACAAUGCCGACCGUCUGGGCG
NC(=O)c1ncn(CCO)c1N
3.823909
0
null
null
RSAPred
RNA
UAUCAGUUAUAUGACUGACGGAACGUGGAAUUAACCACAUGAAGUAUAACGAUGACAAUGCCGACCGUCUGGGCG
NC(=O)c1ncn(-c2ccccn2)c1N
5.251812
1
null
null
RSAPred
RNA
UAUCAGUUAUAUGACUGACGGAACGUGGAAUUAACCACAUGAAGUAUAACGAUGACAAUGCCGACCGUCUGGGCG
NC(=O)c1ncn(-c2cccnc2)c1N
6.221849
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGAUUAUGUCC
Nc1nc(N)c(N)c(N)n1
4.69897
1
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGAUUAUGUCC
Nc1ccnc(N)n1
3
0
null
null
RSAPred
RNA
GGACAUAUAAUCGCGUGGAUAUGGCACGCAAGUUUCUACCGGGCACCGUAAAUGUCCGAUUAUGUCC
Nc1nc(N)nc(N)n1
4.69897
1
null
null
RSAPred