SMILES stringlengths 4 164 | Density float64 0.74 1.91 |
|---|---|
*C(C*)OCCCCCCCCCCCCCCCCCC | 0.863937 |
*C(C*)OCCCl | 1.248859 |
*C(C*)OCCOC | 1.063568 |
*C(C*)OCc1ccccc1 | 1.091059 |
*C(C*)O[N+](=O)[O-] | 1.422527 |
*C(C*)P(=O)(N(C)C)Oc1ccccc1 | 1.160587 |
*C(C*)P(=O)(OCC)N(C)C | 1.112278 |
*C(C*)P(=O)(c1ccccc1)c1ccccc1 | 1.098076 |
*C(C*)SC | 1.078851 |
*C(C*)SCC | 1.030279 |
*C(C*)SCCCC | 0.975699 |
*C(C*)c1c(c(c(c(c1F)F)F)F)F | 1.449527 |
*C(C*)c1c(cc(c(c1)C)C)C | 0.929447 |
*C(C*)c1c(cc(cc1)C(C)C)C(C)C | 0.871065 |
*C(C*)c1c(cc(cc1)C)C | 0.940383 |
*C(C*)c1c(cc(cc1)Cl)C | 1.101968 |
*C(C*)c1c(cc(cc1)Cl)Cl | 1.253541 |
*C(C*)c1c(cc(cc1)F)C | 1.058655 |
*C(C*)c1c(cc(cc1C)C)C | 0.930868 |
*C(C*)c1c(ccc(c1)Br)OC | 1.378341 |
*C(C*)c1c(ccc(c1)Br)OC(C)C | 1.258871 |
*C(C*)c1c(ccc(c1)Br)OCC | 1.339306 |
*C(C*)c1c(ccc(c1)Br)OCCC | 1.280339 |
*C(C*)c1c(ccc(c1)Br)OCCC(C)C | 1.226506 |
*C(C*)c1c(ccc(c1)Br)OCCCC | 1.258265 |
*C(C*)c1c(ccc(c1)Br)OCCCCC | 1.225241 |
*C(C*)c1c(ccc(c1)C(C)(C)C)C | 0.896333 |
*C(C*)c1c(ccc(c1)C(C)C)C(C)C | 0.870067 |
*C(C*)c1c(ccc(c1)C)C | 0.925112 |
*C(C*)c1c(ccc(c1)C)F | 1.053219 |
*C(C*)c1c(ccc(c1)Cl)Cl | 1.246008 |
*C(C*)c1c(ccc(c1)F)F | 1.182523 |
*C(C*)c1c(cccc1)C | 0.978949 |
*C(C*)c1c(cccc1)C(=O)N(C)C | 1.019914 |
*C(C*)c1c(cccc1)C(=O)NC | 1.056185 |
*C(C*)c1c(cccc1)C(=O)Nc1ccccc1 | 1.113472 |
*C(C*)c1c(cccc1)C(=O)O | 1.145797 |
*C(C*)c1c(cccc1)C(=O)OC | 1.093619 |
*C(C*)c1c(cccc1)C(=O)OC(C)C | 1.045589 |
*C(C*)c1c(cccc1)C(=O)OCC | 1.070875 |
*C(C*)c1c(cccc1)C(=O)OCC(C)C | 1.035197 |
*C(C*)c1c(cccc1)C(=O)OCCC | 1.060276 |
*C(C*)c1c(cccc1)C(=O)OCCC(C)C | 1.035084 |
*C(C*)c1c(cccc1)C(=O)OCCCC | 1.040151 |
*C(C*)c1c(cccc1)C(=O)OCCCCC | 1.030247 |
*C(C*)c1c(cccc1)C(=O)OCCCCCC | 1.011035 |
*C(C*)c1c(cccc1)C(=O)OCCN(C)C | 1.081969 |
*C(C*)c1c(cccc1)C(=O)Oc1ccccc1 | 1.133418 |
*C(C*)c1c(cccc1)CC | 0.95612 |
*C(C*)c1c(cccc1)COC | 1.023668 |
*C(C*)c1c(cccc1)COC(C)C | 0.985738 |
*C(C*)c1c(cccc1)COCC | 1.020552 |
*C(C*)c1c(cccc1)COCCC | 1.002034 |
*C(C*)c1c(cccc1)COCCC(C)C | 0.98146 |
*C(C*)c1c(cccc1)COCCCC | 0.987426 |
*C(C*)c1c(cccc1)COCCCCC | 0.977923 |
*C(C*)c1c(cccc1)COCCc1ccccc1 | 1.073512 |
*C(C*)c1c(cccc1)COCc1ccccc1 | 1.087022 |
*C(C*)c1c(cccc1)Cl | 1.153238 |
*C(C*)c1c(cccc1)F | 1.105762 |
*C(C*)c1c(cccc1)OC | 1.022974 |
*C(C*)c1c(cccc1Cl)Cl | 1.262465 |
*C(C*)c1c2c(ccc1)cccc2 | 1.049065 |
*C(C*)c1cc(c(cc1)C(=O)O)C(=O)O | 1.289327 |
*C(C*)c1cc(c(cc1)C)C | 0.935057 |
*C(C*)c1cc(c(cc1)Cl)C | 1.086153 |
*C(C*)c1cc(c(cc1)Cl)Cl | 1.25707 |
*C(C*)c1cc(c(cc1)Cl)F | 1.218844 |
*C(C*)c1cc(cc(c1)C)C | 0.939037 |
*C(C*)c1cc(ccc1)C | 0.969357 |
*C(C*)c1cc(ccc1)CC | 0.951189 |
*C(C*)c1cc(ccc1)Cl | 1.138998 |
*C(C*)c1cc(ccc1)F | 1.097086 |
*C(C*)c1cc(ccc1)c1ccc(cc1)c1ccccc1 | 1.059615 |
*C(C*)c1cc2c(cc1)cccc2 | 1.048762 |
*C(C*)c1ccc(cc1)Br | 1.46157 |
*C(C*)c1ccc(cc1)C | 0.954854 |
*C(C*)c1ccc(cc1)C#N | 1.017159 |
*C(C*)c1ccc(cc1)C(=NO)C | 1.05641 |
*C(C*)c1ccc(cc1)C(=O)C | 1.057707 |
*C(C*)c1ccc(cc1)C(=O)C(F)(F)F | 1.281404 |
*C(C*)c1ccc(cc1)C(=O)CC | 1.033214 |
*C(C*)c1ccc(cc1)C(=O)CCC | 1.016566 |
*C(C*)c1ccc(cc1)C(=O)CCCC | 1.003231 |
*C(C*)c1ccc(cc1)C(=O)CCCCC | 0.988783 |
*C(C*)c1ccc(cc1)C(=O)CCCCCCC | 0.970813 |
*C(C*)c1ccc(cc1)C(=O)CCN1CCCCC1 | 1.040491 |
*C(C*)c1ccc(cc1)C(=O)CCN1CCOCC1 | 1.102049 |
*C(C*)c1ccc(cc1)C(=O)Cc1ccccc1 | 1.103007 |
*C(C*)c1ccc(cc1)C(=O)N(C)C | 1.054426 |
*C(C*)c1ccc(cc1)C(=O)N(CC)CC | 1.004074 |
*C(C*)c1ccc(cc1)C(=O)N1CCCCC1 | 1.036943 |
*C(C*)c1ccc(cc1)C(=O)N1CCOCC1 | 1.103348 |
*C(C*)c1ccc(cc1)C(=O)OC | 1.090571 |
*C(C*)c1ccc(cc1)C(=O)OC(C)C | 1.026933 |
*C(C*)c1ccc(cc1)C(=O)OCC | 1.050703 |
*C(C*)c1ccc(cc1)C(=O)OCC(C)C | 1.017692 |
*C(C*)c1ccc(cc1)C(=O)OCCC | 1.047044 |
*C(C*)c1ccc(cc1)C(=O)OCCCC | 1.030347 |
*C(C*)c1ccc(cc1)C(=O)OCCCCCC | 1.00372 |
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