Datasets:
OsBaran
/
polymer_density_dataset

Dataset card Data Studio Files
xet
Community
1
SMILES
stringlengths
4
164
Density
float64
0.74
1.91
*C(C*)c1ccc(cc1)C(=O)OCCN(C)C
1.072615
*C(C*)c1ccc(cc1)C(=O)c1ccc(cc1)C
1.067379
*C(C*)c1ccc(cc1)C(=O)c1ccc(cc1)OC
1.11109
*C(C*)c1ccc(cc1)C(=O)c1ccccc1
1.098278
*C(C*)c1ccc(cc1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
1.594543
*C(C*)c1ccc(cc1)C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
1.523217
*C(C*)c1ccc(cc1)C(C)(C)C
0.896559
*C(C*)c1ccc(cc1)C(C)C
0.92319
*C(C*)c1ccc(cc1)C(CC)(O)C
0.984772
*C(C*)c1ccc(cc1)C(CC)C
0.914851
*C(C*)c1ccc(cc1)C(CCC)(O)C
0.961747
*C(C*)c1ccc(cc1)C(CCCC)(O)C
0.964528
*C(C*)c1ccc(cc1)C(CCCCC)(O)C
0.955479
*C(C*)c1ccc(cc1)C(CCN(C)C)O
1.029659
*C(C*)c1ccc(cc1)C(CCN1CCCCC1)O
1.022718
*C(C*)c1ccc(cc1)C(CCN1CCOCC1)O
1.08523
*C(C*)c1ccc(cc1)C(O)(C)C
1.006839
*C(C*)c1ccc(cc1)CC
0.946653
*C(C*)c1ccc(cc1)CCC
0.941424
*C(C*)c1ccc(cc1)CCCC
0.931491
*C(C*)c1ccc(cc1)CCCCCC
0.918525
*C(C*)c1ccc(cc1)CCCCCCCC
0.905274
*C(C*)c1ccc(cc1)CCCCCCCCC
0.902767
*C(C*)c1ccc(cc1)CCCCCCCCCC
0.899891
*C(C*)c1ccc(cc1)CCCCCCCCCCCC
0.894842
*C(C*)c1ccc(cc1)CCCCCCCCCCCCCC
0.887566
*C(C*)c1ccc(cc1)CCCCCCCCCCCCCCCC
0.886143
*C(C*)c1ccc(cc1)CCCCCCCCCCCCCCCCCC
0.878912
*C(C*)c1ccc(cc1)COC
1.037503
*C(C*)c1ccc(cc1)COC(CC)C
0.973651
*C(C*)c1ccc(cc1)COCC(CCCC)CC
0.944496
*C(C*)c1ccc(cc1)COCCC
1.005095
*C(C*)c1ccc(cc1)COCCCC
0.992325
*C(C*)c1ccc(cc1)COCCCCCC
0.964533
*C(C*)c1ccc(cc1)COCCCCCCOc1ccc(cc1)c1ccc(cc1)OC
1.071231
*C(C*)c1ccc(cc1)COCCCCO
1.064499
*C(C*)c1ccc(cc1)COCCO
1.099536
*C(C*)c1ccc(cc1)COCCOCC
1.048858
*C(C*)c1ccc(cc1)COCCOCCCC
1.013535
*C(C*)c1ccc(cc1)COCCOCCCCCCCC
0.973661
*C(C*)c1ccc(cc1)Cl
1.143288
*C(C*)c1ccc(cc1)F
1.087381
*C(C*)c1ccc(cc1)I
1.717826
*C(C*)c1ccc(cc1)N(C)C
1.017825
*C(C*)c1ccc(cc1)O
1.107283
*C(C*)c1ccc(cc1)OC
1.042087
*C(C*)c1ccc(cc1)OC(=O)C
1.100534
*C(C*)c1ccc(cc1)OCC
1.016879
*C(C*)c1ccc(cc1)OCCC
0.99173
*C(C*)c1ccc(cc1)OCCC(C)C
0.976437
*C(C*)c1ccc(cc1)OCCCC
0.984185
*C(C*)c1ccc(cc1)Oc1ccccc1
1.101059
*C(C*)c1ccc(cc1)S(=O)(=O)OCCC
1.166751
*C(C*)c1ccc(cc1)c1ccc(cc1)c1ccccc1
1.054606
*C(C*)c1ccc(cc1)c1ccccc1
1.030456
*C(C*)c1ccc(nc1)C
1.004278
*C(C*)c1ccccc1
0.990789
*C(C*)c1ccncc1
1.06489
*C(C*)c1nc(ccc1)C
1.014863
*C(C*)c1nc(nc(n1)C)C
1.064103
*C(C*)c1ncccc1
1.057502
*C(C*)n1c2ccccc2c2ccccc12
1.099857
*C(CC(C*)c1ccccc1)(C(=O)OC)C#N
1.072601
*C(CC)C(CC)*
0.823311
*C(CC*)(C)C
0.831835
*C(CCC*)(C)C
0.82942
*C(CCC*)(CC)C
0.827575
*C(CCCCCCC*)C
0.838285
*C(CCCCNC(=O)NCCCCCCNC(=O)N*)C(=O)OC
1.099894
*C(F)(F)C(*)(F)C(F)(F)F
1.790591
*C(F)(F)C(F)(F)*
1.914482
*C(F)C(*)(F)F
1.798578
*C(O)C(*)O
1.396108
*C([2H])([2H])C(*)(C(=O)OC([2H])([2H])[2H])C([2H])([2H])[2H]
1.11547
*C1(CCC(CC1)C)C*
0.857307
*C1(CCCCC1)C*
0.878256
*C1(OC(C(C1(C(C(*)(F)F)(F)F)F)(F)F)(F)F)F
1.822017
*C1C(*)C2CC1C1C=CCC12
0.948068
*C1C(=O)OC(=O)C1C(C*)OC
1.250207
*C1C(C(C(C1)C*)OC(=O)CCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N)OC(=O)CCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
1.050443
*C1C(C2C(C1)C(C(C2)CC*)OC(=O)CCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N)OC(=O)CCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
1.041846
*C1C(CC(C1)C*)OC(=O)CCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
1.041612
*C1C(CC(C1)OC(=O)CCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N)CC*
1.037793
*C1C(CC1)*
0.894726
*C1C(CCC1)CC*
0.906448
*C1C2CC(C)C(C2)C1*
0.898563
*C1CC(CC1)C*
0.930004
*C1CC(CC1)C=C*
0.952824
*C1CC2CC1C(*)C2CCCC
0.87637
*C1CC2CC1C(*)C2CCCCCC
0.891814
*C1CCC(*)C1
0.928876
*C1CCC(CC2CCC(N3C(=O)C4C5C=CC(C6C(=O)N(*)C(=O)C56)C4C3=O)C(C)C2)CC1C
1.058498
*C1CCC(CC2CCC(N3C(=O)C4C5C=CC(C6C(=O)N(*)C(=O)C56)C4C3=O)CC2)CC1
1.0969
*C1CCC(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)CC1
1.221232
*C1NC(CC1)*
1.038245
*C1Oc2ccccc2C1*
1.092531
*C1c2c(CC1*)cccc2
0.984516
*C=CC(C(*)C(=O)OC)C
1.029014
*C=CC(C*)OC
1.002721
*C=CC(CCCCC*)C
0.848449