Datasets:
OsBaran
/
polymer_density_dataset

Dataset card Data Studio Files
xet
Community
1
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