SMILES stringlengths 4 164 | Density float64 0.74 1.91 |
|---|---|
*NC(C(=O)*)C | 1.157415 |
*NC(C(=O)*)CCC(=O)OCc1ccccc1 | 1.183555 |
*NC(CCC(=O)OC)C(*)=O | 1.214404 |
*NC(CCC(=O)OCC)C(*)=O | 1.163388 |
*NC(CCC(=O)OCCC)C(*)=O | 1.127131 |
*NC(CCC(=O)OCCCCC)C(*)=O | 1.070255 |
*NC(CCC(=O)OCCCCCC)C(*)=O | 1.04419 |
*NC1CC(C)(C)CC(C)(CNC(=O)CCCCC(*)=O)C1 | 1.024947 |
*NC1CCC(CC2CCC(NC(=O)CCCCCCCCCCCCC(*)=O)CC2)CC1 | 0.965051 |
*Nc1ccc(NC(=O)c2cc(C(*)=O)c(C(=O)OCC)cc2C(=O)OCC)cc1 | 1.205426 |
*Nc1ccc(cc1)* | 1.203538 |
*Nc1cccc(C(O)Cc2ccc(NC(=O)c3ccc(C(*)=O)cc3)cc2)c1 | 1.211931 |
*OC(=O)CCC(=O)OCC* | 1.246336 |
*OC(=O)CCCCCCCCC(=O)OCC* | 1.057393 |
*OC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)OCCCCCC* | 1.050884 |
*OC(=O)NCC(C(C(C(CNC(=O)OCCCC*)(F)F)(F)F)(F)F)(F)F | 1.482698 |
*OC(=O)NCCCCC* | 1.101397 |
*OC(=O)NCCCCCCNC(=O)OCCCC* | 1.107873 |
*OC(=O)Nc1c2c(ccc1)c(ccc2)NC(=O)OCC* | 1.279597 |
*OC(=O)Nc1cc(ccc1)NC(=O)OCC* | 1.331542 |
*OC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)OCCCCCC* | 1.151384 |
*OC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)OCc1cc(ccc1)C* | 1.201795 |
*OC(=O)Nc1ccc(cc1)NC(=O)OCC* | 1.317378 |
*OC(=O)Nc1ccc(cc1)NC(=O)OCCCCCC* | 1.184272 |
*OC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)OCC* | 1.262968 |
*OC(=O)OCC(C(C(C(C*)(F)F)(F)F)(F)F)(F)F | 1.683205 |
*OC(=O)OCCCCCC* | 1.076715 |
*OC(=O)OCc1ccc(cc1)C* | 1.223791 |
*OC(=O)c1cc(ccc1)C(=O)OCC* | 1.261722 |
*OC(=O)c1cc2c(cc1)cc(cc2)C(=O)OCC* | 1.247957 |
*OC(=O)c1cc2c(cc1)ccc(c2)C(=O)OCC* | 1.252921 |
*OC(=O)c1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)C(=O)OCCCCCCCCCC* | 1.120725 |
*OC(=O)c1ccc(cc1)C(=O)OCC* | 1.261154 |
*OC(=O)c1ccc(cc1)C(=O)OCCCC* | 1.189184 |
*OC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)OCC* | 1.216011 |
*OC(=O)c1ccc(cc1)c1ccc(cc1)C* | 1.159458 |
*OC(C)C(*)=O | 1.143181 |
*OC(C)CC(*)=O | 1.127753 |
*OC(C)COC(*)=O | 1.202638 |
*OC(C*)C | 1.011308 |
*OC(F)(F)C(F)(F)C(*)(F)F | 1.85148 |
*OC1C(CO)OC(*)C(N)C1O | 1.311294 |
*OC1C(CO)OC(*)C(O)C1O | 1.328453 |
*OC1C(COC(C)=O)OC(*)C(OC(C)=O)C1OC(C)=O | 1.165103 |
*OCC* | 1.10542 |
*OS(=O)(=O)c1ccc(*)cc1 | 1.433691 |
*Oc1c(-c2ccccc2)cc(*)cc1-c1ccccc1 | 1.070064 |
*Oc1c(Br)cc(C(C)(C)c2cc(Br)c(OC(*)=O)c(Br)c2)cc1Br | 1.815897 |
*Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(*)=O)c(C)c2)cc1C | 1.002192 |
*Oc1c(C)cc(C(C)(C)c2cc(C)c(ON3C(=O)c4ccc(Oc5ccc(C6(c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)CCC(C(C)(C)C)CC6)cc5)cc4C3=O)c(C)c2)cc1C | 1.08648 |
*Oc1c(Cl)cc(C(C)(C)c2cc(Cl)c(OC(*)=O)c(Cl)c2)cc1Cl | 1.319484 |
*Oc1c(OC)cc(*)cc1OC | 1.179003 |
*Oc1c(cc(cc1)C(c1ccc(cc1)C(c1cc(c(cc1)OC(=O)*)C)(C)C)(C)C)C | 1.037026 |
*Oc1c(cc(cc1)OC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)*)C | 1.191901 |
*Oc1c(cc(cc1C)*)C | 1.00529 |
*Oc1c2c(ccc1)c(ccc2)OC(=O)Oc1ccc(cc1)OC(=O)* | 1.296405 |
*Oc1cc(C(C)(C)C)c(Oc2ccc(C(=O)Nc3c(C)cc(C(C)(C)c4cc(C)c(NC(=O)c5ccc(*)cc5)c(C)c4)cc3C)cc2)cc1C(C)(C)C | 1.001548 |
*Oc1cc(C(C)(C)C)c(Oc2ccc(C(=O)Nc3c(C)cc(Cc4cc(C)c(NC(=O)c5ccc(*)cc5)c(C(C)C)c4)cc3C(C)C)cc2)cc1C(C)(C)C | 0.980385 |
*Oc1cc(C(C)(C)C)c(Oc2ccc(C(=O)Nc3ccc(C(C)(C)c4ccc(NC(=O)c5ccc(*)cc5)c(C)c4)cc3C)cc2)cc1C(C)(C)C | 1.022214 |
*Oc1cc(C(C)(C)C)c(Oc2ccc(C(=O)Nc3ccc(C(C)(C)c4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1C(C)(C)C | 1.043216 |
*Oc1cc(C(C)(C)C)c(Oc2ccc(C(=O)Nc3ccc(C(c4ccc(NC(=O)c5ccc(*)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1C(C)(C)C | 1.135045 |
*Oc1cc(C)c(*)c(C)c1Br | 1.42105 |
*Oc1cc(ccc1)CCCCCCCCCCc1cc(ccc1)OC(=O)* | 1.05344 |
*Oc1cc2c(cc1)ccc(c2)OC(=O)Oc1ccc(cc1)OC(=O)* | 1.307561 |
*Oc1ccc(-c2ccc(OC(=O)CCCCCCC(*)=O)cc2)cc1 | 1.14747 |
*Oc1ccc(-c2ccc(OC(=O)CCCCCCCC(*)=O)cc2)cc1 | 1.127921 |
*Oc1ccc(-c2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)cc1 | 1.112213 |
*Oc1ccc(-c2ccc(OC(=O)CCCCCCCCCC(*)=O)cc2)cc1 | 1.096092 |
*Oc1ccc(-c2ccc(OC(=O)CCCCCCCCCCC(*)=O)cc2)cc1 | 1.07488 |
*Oc1ccc(-c2ccc(OC(=O)CCCCCCCCCCCC(*)=O)cc2)cc1 | 1.067563 |
*Oc1ccc(-c2ccc(OC(=O)CCCCCCCCCCCCC(*)=O)cc2)cc1 | 1.055076 |
*Oc1ccc(C(=C(Cl)Cl)c2ccc(OC(*)=O)cc2)cc1 | 1.309864 |
*Oc1ccc(C(=O)Nc2cccc(C(O)Cc3ccc(NC(=O)c4ccc(*)cc4)cc3)c2)cc1 | 1.212798 |
*Oc1ccc(C(=O)c2ccc(*)cc2)cc1 | 1.189618 |
*Oc1ccc(C(C)(C)c2ccc(OC(*)=O)c(C(C)C)c2)cc1C(C)C | 1.004973 |
*Oc1ccc(C(C)(C)c2ccc(OC(*)=O)c(C)c2)cc1C | 1.071059 |
*Oc1ccc(C(C)(C)c2ccc(OC(*)=O)c(CC)c2)cc1CC | 1.042007 |
*Oc1ccc(C(C)(C)c2ccc(OC(=O)SCCCCCCSC(*)=O)cc2)cc1 | 1.147142 |
*Oc1ccc(C(C)(C)c2ccc(OC(=O)SCCCSC(*)=O)cc2)cc1 | 1.187061 |
*Oc1ccc(C(C)(C)c2ccc(OC(=O)Sc3ccc(C(C)(C)c4ccc(SC(*)=O)cc4)cc3)cc2)cc1 | 1.146463 |
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(=O)c4ccc(C(*)=O)cc4)cc3)cc2)cc1 | 1.162597 |
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccccc3/C=C/c3ccc(/C=C/c4ccccc4C(*)=O)cc3)c(C)c2)cc1C | 1.085604 |
*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccccc3/C=C/c3ccc(/C=C/c4ccccc4C(*)=O)cc3)cc2)cc1 | 1.113129 |
*Oc1ccc(C(C)(CCC#N)c2ccc(OC(*)=O)c(C)c2)cc1C | 1.073619 |
*Oc1ccc(C(C)(CCC#N)c2ccc(OC(*)=O)cc2)cc1 | 1.128123 |
*Oc1ccc(C(C)(CCC)c2ccc(OC(*)=O)cc2)cc1 | 1.074575 |
*Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(*)=O)cc2)cc1 | 1.12368 |
*Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1 | 1.144358 |
*Oc1ccc(C(CCC)(CCC)c2ccc(OC(*)=O)c(C)c2)cc1C | 0.972761 |
*Oc1ccc(C(CCC)(CCC)c2ccc(OC(*)=O)cc2)cc1 | 1.015922 |
*Oc1ccc(C(CCCC)(CCCC)c2ccc(OC(*)=O)cc2)cc1 | 1.002496 |
*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(*)cc5)c4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1 | 1.277028 |
*Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1 | 1.120953 |
*Oc1ccc(C2(c3ccc(OC(*)=O)c(C)c3)CCCCC2)cc1C | 1.053045 |
*Oc1ccc(C2(c3ccc(OC(*)=O)cc3)CCCCC2)cc1 | 1.114382 |
*Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C(*)=O)c4)cc3)c3ccccc3-c3ccccc32)cc1 | 1.142864 |
*Oc1ccc(NC(=O)c2cc(C(c3ccc(C(=O)O)c(C(=O)Nc4ccc(Oc5ccc(C(c6ccc(*)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)c3)(C(F)(F)F)C(F)(F)F)ccc2C(=O)O)cc1 | 1.344511 |
*Oc1ccc(NC(=O)c2ccc(C(c3ccc(C(=O)O)c(C(=O)Nc4cc(*)ccc4N)c3)(C(F)(F)F)C(F)(F)F)cc2C(=O)O)c(N)c1 | 1.368218 |
*Oc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(*)cc3)c2)cc1 | 1.224593 |
*Oc1ccc(OC(=O)c2cc(OCCCCCCCCCCCC)c(C(*)=O)cc2OCCCCCCCCCCCC)cc1 | 1.001359 |
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