SMILES stringlengths 4 164 | Density float64 0.74 1.91 |
|---|---|
*C(C*)CCCCCCCC | 0.830809 |
*C(C*)CCCCCCCCC | 0.829999 |
*C(C*)CCCCCCCCCC | 0.83154 |
*C(C*)CCCCCCCCCCC | 0.833533 |
*C(C*)CCCCCCCCCCCC | 0.833252 |
*C(C*)CCCCCCCCCCCCC | 0.833225 |
*C(C*)CCCCCCCCCCCCCC | 0.832143 |
*C(C*)CCCCCCCCCCCCCCCC | 0.833313 |
*C(C*)CCCCCCCCCCCCCCCCCCCC | 0.834006 |
*C(C*)CCCCCCCCCO | 0.905412 |
*C(C*)CCCN(C(C)C)C(C)C | 0.873653 |
*C(C*)CCCN(CC(C)C)CC(C)C | 0.860542 |
*C(C*)CCN(C(C)C)C(C)C | 0.876082 |
*C(C*)CCc1c(cccc1)C | 0.978579 |
*C(C*)CCc1ccc(cc1)C | 0.970092 |
*C(C*)CCc1ccccc1 | 1.000097 |
*C(C*)CNc1c(cc(cc1)[N+](=O)[O-])C | 1.182213 |
*C(C*)CNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-] | 1.348506 |
*C(C*)CNc1cc(c(cc1)[N+](=O)[O-])C(F)(F)F | 1.382049 |
*C(C*)CNc1ccc(cc1)[N+](=O)[O-] | 1.230823 |
*C(C*)CNc1ncc(cc1)[N+](=O)[O-] | 1.274317 |
*C(C*)Cc1c(ccc(c1)C)C | 0.944053 |
*C(C*)Cc1c(cccc1)C | 0.972209 |
*C(C*)Cc1cc(c(cc1)C)C | 0.952413 |
*C(C*)Cc1cc(cc(c1)C)C | 0.955003 |
*C(C*)Cc1cc(ccc1)C | 0.976779 |
*C(C*)Cc1ccc(cc1)C | 0.968404 |
*C(C*)Cc1ccccc1 | 1.008541 |
*C(C*)Cl | 1.332667 |
*C(C*)N1C(=O)CCC1 | 1.094287 |
*C(C*)N1CNCC1 | 1.079195 |
*C(C*)N1Nc2c(C1)cccc2 | 1.11497 |
*C(C*)NC(=O)OC(C)(C)C | 1.015667 |
*C(C*)O | 1.174364 |
*C(C*)OC | 1.019931 |
*C(C*)OC(=O)C | 1.109865 |
*C(C*)OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F | 1.802613 |
*C(C*)OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F | 1.765573 |
*C(C*)OC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F | 1.721207 |
*C(C*)OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F | 1.6794 |
*C(C*)OC(=O)C(C(C(C)C)C)(C)C | 0.928293 |
*C(C*)OC(=O)C(C(C(F)(F)F)(F)F)(F)F | 1.641935 |
*C(C*)OC(=O)C(C(C)C)(C(C)C)C | 0.922755 |
*C(C*)OC(=O)C(C(CC)(C)C)(C)C | 0.923294 |
*C(C*)OC(=O)C(C(F)(F)F)(F)F | 1.581055 |
*C(C*)OC(=O)C(CC(C)(C)C)(C)C | 0.930642 |
*C(C*)OC(=O)C(CCC)(C)C | 0.945731 |
*C(C*)OC(=O)C(F)(F)F | 1.491837 |
*C(C*)OC(=O)C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F | 1.672175 |
*C(C*)OC(=O)C1(CCCCC1)C | 0.984241 |
*C(C*)OC(=O)C1CCCC1 | 1.053718 |
*C(C*)OC(=O)C1CCCCC1 | 1.019055 |
*C(C*)OC(=O)CC | 1.060167 |
*C(C*)OC(=O)CC(c1ccccc1)(C)C | 1.06651 |
*C(C*)OC(=O)CC1CCCC1 | 1.046233 |
*C(C*)OC(=O)CC1CCCCC1 | 1.017497 |
*C(C*)OC(=O)CCCC(=O)c1ccccc1 | 1.150898 |
*C(C*)OC(=O)CCCC1CCCCC1 | 0.995241 |
*C(C*)OC(=O)CCCCC | 0.977137 |
*C(C*)OC(=O)CCCCCCC | 0.953536 |
*C(C*)OC(=O)CCCCCCCCC | 0.935535 |
*C(C*)OC(=O)CCCCCCCCCCC | 0.921917 |
*C(C*)OC(=O)CCl | 1.372301 |
*C(C*)OC(=O)c1c(cccc1)C | 1.128728 |
*C(C*)OC(=O)c1c(cccc1)Cl | 1.29306 |
*C(C*)OC(=O)c1c(cccc1)OC | 1.184684 |
*C(C*)OC(=O)c1c(cccc1)OC(=O)C | 1.204682 |
*C(C*)OC(=O)c1cc(ccc1)Br | 1.546603 |
*C(C*)OC(=O)c1cc(ccc1)C | 1.110951 |
*C(C*)OC(=O)c1cc(ccc1)Cl | 1.263059 |
*C(C*)OC(=O)c1cc(ccc1)OC | 1.172022 |
*C(C*)OC(=O)c1cc(ccc1)[N+](=O)[O-] | 1.282622 |
*C(C*)OC(=O)c1ccc(cc1)Br | 1.536351 |
*C(C*)OC(=O)c1ccc(cc1)C | 1.099097 |
*C(C*)OC(=O)c1ccc(cc1)C#N | 1.163857 |
*C(C*)OC(=O)c1ccc(cc1)C(C)(C)C | 1.021532 |
*C(C*)OC(=O)c1ccc(cc1)C(C)C | 1.047681 |
*C(C*)OC(=O)c1ccc(cc1)CC | 1.071863 |
*C(C*)OC(=O)c1ccc(cc1)Cl | 1.26634 |
*C(C*)OC(=O)c1ccc(cc1)OC | 1.170671 |
*C(C*)OC(=O)c1ccc(cc1)OC(=O)C | 1.202323 |
*C(C*)OC(=O)c1ccc(cc1)OC(=O)CCC | 1.143061 |
*C(C*)OC(=O)c1ccc(cc1)OCC | 1.124221 |
*C(C*)OC(=O)c1ccccc1 | 1.143985 |
*C(C*)OC(=O)c1ccncc1 | 1.195061 |
*C(C*)OC(=O)c1cnccc1 | 1.21693 |
*C(C*)OC(C(F)(F)F)(C(F)(F)F)F | 1.622288 |
*C(C*)OC(C)(C)C | 0.899335 |
*C(C*)OC(C)C | 0.923613 |
*C(C*)OC(CC)C | 0.905143 |
*C(C*)OC1CCCCC1 | 0.948634 |
*C(C*)OC=O | 1.251158 |
*C(C*)OCC | 0.958386 |
*C(C*)OCC(C)(C)C | 0.874621 |
*C(C*)OCC(CC(C)C)(C)C | 0.892796 |
*C(C*)OCC(CC)(C)C | 0.882731 |
*C(C*)OCC(CCCC)CC | 0.883883 |
*C(C*)OCC(F)(F)F | 1.388732 |
*C(C*)OCCC | 0.936311 |
*C(C*)OCCCCCCCCCCCC | 0.876158 |
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