SMILES
stringlengths 4
164
| Density
float64 0.74
1.91
|
|---|---|
*C(C(*)OCCC)C
| 0.906496
|
*C(C(*)OCCCC)C
| 0.90555
|
*C(C(*)c1ccccc1)[N+](=O)[O-]
| 1.094086
|
*C(C(C(C*)OC)C(=O)O)C(=O)O
| 1.266513
|
*C(C(C(C*)c1ncccc1)c1ccccc1)c1ncccc1
| 1.027878
|
*C(C(C*)C)(C)C
| 0.836806
|
*C(C(CC*)C)C
| 0.831702
|
*C(C)C(C)*
| 0.823569
|
*C(C*)(C#N)C
| 0.991092
|
*C(C*)(C(=O)C)C
| 0.97416
|
*C(C*)(C(=O)C)F
| 1.193984
|
*C(C*)(C(=O)OC)C
| 1.033056
|
*C(C*)(C(=O)OC)c1ccccc1
| 1.055775
|
*C(C*)(C(=O)OCC)C
| 0.990368
|
*C(C*)(C(=O)OCCCC)C
| 0.977791
|
*C(C*)(C)C
| 0.870607
|
*C(C*)(CC(=O)OCCCCCCC)C(=O)OCCCCCCC
| 0.966493
|
*C(C*)(CC)C
| 0.844525
|
*C(C*)(CCC)C
| 0.818196
|
*C(C*)(F)F
| 1.542544
|
*C(C*)(OC)C
| 0.955616
|
*C(C*)(c1ccc(cc1)C(C)C)C
| 0.902118
|
*C(C*)(c1ccc(cc1)C)C
| 0.924695
|
*C(C*)(c1ccccc1)C
| 0.964538
|
*C(C*)C
| 0.835732
|
*C(C*)C#N
| 1.046678
|
*C(C*)C(=O)C
| 1.032573
|
*C(C*)C(=O)C(C)(C)C
| 0.917079
|
*C(C*)C(=O)C(C)C
| 0.945284
|
*C(C*)C(=O)C1CCCCC1
| 0.971181
|
*C(C*)C(=O)O
| 1.303707
|
*C(C*)C(=O)OC
| 1.129184
|
*C(C*)C(=O)OC(C(Cl)(F)F)(C(Cl)(F)F)F
| 1.633954
|
*C(C*)C(=O)OC(C(Cl)(F)F)(C(F)(F)F)F
| 1.596822
|
*C(C*)C(=O)OC(C(F)(F)F)(C(F)(F)F)F
| 1.597662
|
*C(C*)C(=O)OC(C(F)(F)F)C(F)(F)F
| 1.536823
|
*C(C*)C(=O)OC(C)(C)C
| 0.971035
|
*C(C*)C(=O)OC(C)C
| 1.018191
|
*C(C*)C(=O)OC1C2(CCC(C1)C2(C)C)C
| 0.986288
|
*C(C*)C(=O)OCC
| 1.064568
|
*C(C*)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F
| 1.563653
|
*C(C*)C(=O)OCC(C(F)(F)F)(F)F
| 1.493383
|
*C(C*)C(=O)OCC(C(F)C(F)(F)F)(F)F
| 1.535446
|
*C(C*)C(=O)OCC(C)C
| 0.997195
|
*C(C*)C(=O)OCC(F)(F)F
| 1.418541
|
*C(C*)C(=O)OCC=C
| 1.087142
|
*C(C*)C(=O)OCCC
| 1.030161
|
*C(C*)C(=O)OCCCC
| 1.001402
|
*C(C*)C(=O)OCCCCCC
| 0.96388
|
*C(C*)C(=O)OCCCCCCC
| 0.948838
|
*C(C*)C(=O)OCCCCCCCC
| 0.942141
|
*C(C*)C(=O)OCCCCCCCCCCCC
| 0.913404
|
*C(C*)C(=O)OCCCCCCCCCCCCCC
| 0.905452
|
*C(C*)C(=O)OCCCCCCCCCCCCCCCC
| 0.898806
|
*C(C*)C(=O)OCCCCCCCCCCCCCCCCCC
| 0.891961
|
*C(C*)C(=O)OCCCCCCCCCCCCCCCCCCCCCC
| 0.884877
|
*C(C*)C(=O)c1c(cccc1)O
| 1.187226
|
*C(C*)C(=O)c1cc(c(cc1)Br)OC
| 1.468623
|
*C(C*)C(=O)c1cc(c(cc1)C)C
| 1.036462
|
*C(C*)C(=O)c1ccc(cc1)Br
| 1.516763
|
*C(C*)C(=O)c1ccc(cc1)C
| 1.063197
|
*C(C*)C(=O)c1ccc(cc1)C(C)(C)C
| 0.988687
|
*C(C*)C(=O)c1ccc(cc1)C(C)C
| 1.019792
|
*C(C*)C(=O)c1ccc(cc1)CC
| 1.047673
|
*C(C*)C(=O)c1ccc(cc1)CCC
| 1.024315
|
*C(C*)C(=O)c1ccc(cc1)Cl
| 1.226369
|
*C(C*)C(=O)c1ccc(cc1)OC
| 1.136337
|
*C(C*)C(=O)c1ccccc1
| 1.110645
|
*C(C*)C(C)(C)C
| 0.805365
|
*C(C*)C(C)C
| 0.809482
|
*C(C*)C(CC)C
| 0.81041
|
*C(C*)C(CC)CC
| 0.814817
|
*C(C*)C(c1ccccc1)C
| 0.950614
|
*C(C*)C1=CC=CS1
| 1.168228
|
*C(C*)C1CC(CCC1)C
| 0.860408
|
*C(C*)C1CC1
| 0.894721
|
*C(C*)C1CC=CCC1
| 0.894488
|
*C(C*)C1CCC(CC1)C
| 0.846307
|
*C(C*)C1CCC1
| 0.890517
|
*C(C*)C1CCCC1
| 0.89607
|
*C(C*)C1CCCCC1
| 0.852752
|
*C(C*)C=O
| 1.136267
|
*C(C*)CC
| 0.833803
|
*C(C*)CC(C)(C)C
| 0.817611
|
*C(C*)CC(C)C
| 0.822248
|
*C(C*)CC(CC)(C)C
| 0.836728
|
*C(C*)CC(CC)C
| 0.825624
|
*C(C*)CC(CC)CC
| 0.82992
|
*C(C*)CC1CCCC1
| 0.897074
|
*C(C*)CC1CCCCC1
| 0.876521
|
*C(C*)CCC
| 0.824342
|
*C(C*)CCC(C)(C)C
| 0.816715
|
*C(C*)CCC(CC)C
| 0.835027
|
*C(C*)CCC1CCCCC1
| 0.887375
|
*C(C*)CCCC
| 0.825542
|
*C(C*)CCCC(C)(C)C
| 0.81844
|
*C(C*)CCCC1CCCCC1
| 0.882255
|
*C(C*)CCCCC
| 0.826027
|
*C(C*)CCCCCC
| 0.829569
|
*C(C*)CCCCCCC
| 0.830236
|
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