Datasets:
gayane
/
freesolv

Dataset card Data Studio Files
xet
Community
smiles
stringlengths
1
82
activity
float64
-5.8
1.9
CCCCCCCC
1.754648
CCCCCCCBr
1.077697
CCCCCI
0.949769
CC(C)OC=O
0.448719
C=CCl
0.829837
Cc1ccc(cc1)C(=O)N(C)C
-1.614117
CCOC
0.427397
C[C@@H]1CCCC[C@@H]1C
1.408177
c1cc(c(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl)Cl
0.024958
CCC
1.520114
CCSCC
0.597968
C(=C(F)F)(C(F)(F)F)F
1.767974
CC(=O)c1ccccc1
-0.233563
c1cc2c(cc1Cl)Oc3cc(c(c(c3O2)Cl)Cl)Cl
-0.036341
CCS
0.683253
C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O
-1.734049
c1ccc(cc1)CCO
-0.822564
c1cc(ccc1N)Cl
-0.585364
CCCc1ccc(cc1)O
-0.401468
C(F)(F)Cl
0.853823
Cc1ccc(cc1)C(=O)C
-0.265545
c1ccc2cc3ccccc3cc2c1
-0.065658
CCCCN(CC)C(=O)SCCC
0.016962
C(C(F)(Cl)Cl)(F)(F)Cl
1.458815
CC(C)C
1.600069
c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)N
-2.085851
COc1c(c(c(c(c1Cl)C=O)Cl)OC)O
-1.326279
C[C@@H](CCO[N+](=O)[O-])O[N+](=O)[O-]
-0.156273
CCCOC
0.544665
c1ccc(cc1)CBr
0.352773
c1ccc2c(c1)cccc2O
-1.057098
C
1.520114
C1CCOCC1
0.155551
C([N+](=O)[O-])(Cl)(Cl)Cl
0.600633
CN(C)CCOC(c1ccccc1)c2ccccc2
-1.50218
[C@@H](C(F)(F)F)(Cl)Br
0.957765
CCCC[N+](=O)[O-]
0.163546
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
-5.801087
CCCCCC=O
0.238171
COc1cccc(c1)N
-0.955822
CCCCCl
0.944439
CC(C)(C)C
1.656037
Cc1ccc2cc(ccc2c1)C
0.286144
C1C=CC=CC=C1
0.723231
CCCCI
0.920453
CCCC(C)(C)O
-0.057662
Cc1ccc(cc1)C
0.773869
CCO
-0.3455
CCCC(=C)C
1.37886
CCc1cnccn1
-0.465432
CN(C)C=O
-1.09441
CNc1ccccc1
-0.26288
Cc1cccc2c1cccc2
0.336782
CCCOCCC
0.677923
CCOC(=O)C
0.203524
CC[C@H](C)O
-0.244223
CCCN
-0.182925
c1ccc(cc1)Oc2ccccc2
0.22218
CCC(C)C
1.62139
CCCCC(=O)C
0.112908
CCCOC=O
0.326121
CCNc1nc(nc(n1)Cl)NCC
-1.736714
c1ccc(cc1)C=O
-0.084314
C1CC1
1.186969
COCOC
0.206189
CC(C)(C)OC
0.398081
CCCCCCCCl
1.064371
COC(=O)c1ccccc1
-0.057662
c1cc(ccc1Br)Br
0.374094
C(CCl)Cl
0.510018
COc1ccc(cc1)N
-1.00646
Cc1ccncc1C
-0.404133
COC
0.478036
C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)SC(Cl)(Cl)Cl
-1.41423
c1ccc(cc1)O[C@@H](C(F)F)F
0.643276
CC(C)NC(C)C
0.128899
CC(=C)C(=C)C
1.093688
CCOP(=S)(OCC)Oc1cc(nc(n1)C(C)C)C
-0.739944
CCCCCCCCCO
-0.047001
CC(=O)NC
-1.678081
c1ccc(cc1)c2c(cc(cc2Cl)Cl)Cl
0.411407
c1ccc2c(c1)Oc3ccccc3O2
0.147555
Cc1ccnc(c1)C
-0.308187
CCOCCO
-0.795912
c1ccc(cc1)C(=O)N
-1.944597
CN(C)CCC=C1c2ccccc2CCc3c1cccc3
-0.993134
c1c(c(=O)[nH]c(=O)[nH]1)Br
-3.855518
Cc1c[nH]c2c1cccc2
-0.580034
COc1c(cc(c(c1O)OC)Cl)Cl
-0.729283
CCCBr
0.837833
C[C@H]1CCCO1
0.107578
C1CCC(=O)C1
-0.265545
CN(C)C(=O)c1ccc(cc1)[N+](=O)[O-]
-2.197787
CCC(=O)N
-1.518171
c1ccc(cc1)CCCO
-0.857211
CC(C)CO
-0.212241
CC(=CCC/C(=C/CO)/C)C
-0.198916
CCCCCCC(=O)C
0.219515
CC1CCCCC1
1.440159
CCCCO[N+](=O)[O-]
0.430063