SMILES
stringlengths 4
164
| Density
float64 0.74
1.91
|
|---|---|
*CC/C=C(\*)Cl
| 1.197367
|
*CC1(C)CC(*)(C)C(=O)OC1=O
| 1.134709
|
*CC1CC(*)OC(CCC)O1
| 1.007711
|
*CC1CCC(COC(=O)CCC(=O)O*)CC1
| 1.095696
|
*CC1CCC(COC(=O)CCCCCCCCC(=O)O*)CC1
| 1.015688
|
*CCC(C)CO*
| 0.951691
|
*CCC(c1ccccc1)C(*)c1ccccc1
| 0.981232
|
*CCC=C(*)C
| 0.879267
|
*CCC=C(*)Cl
| 1.195058
|
*CCCC(=O)N*
| 1.12773
|
*CCCCCC(=O)O*
| 1.053069
|
*CCCCCCC(=O)N*
| 1.007716
|
*CCCCCCCCC(=O)N*
| 0.967909
|
*CCCCCCCCCC(=O)N*
| 0.953326
|
*CCCCCCCCCCC(=O)N(*)C
| 0.943846
|
*CCCCCCCCCCCC(=O)N*
| 0.934153
|
*CCCCCCCCCCCCC(=O)N*
| 0.93085
|
*CCCCCCCCCCCCNC(=O)CCCCCCCCCCC(=O)N*
| 0.938539
|
*CCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*
| 0.913331
|
*CCCCCCCCCCCCSC(=O)S*
| 1.024035
|
*CCCCCCCCCCCNC(=O)CCCCC(=O)N*
| 0.9855
|
*CCCCCCCCCCN1C(=O)C2C3C=CC(C4C(=O)N(*)C(=O)C34)C2C1=O
| 1.115283
|
*CCCCCCCCCNC(=O)c1ccc(C(=O)N*)cc1
| 1.067236
|
*CCCCCCCCCSC(=O)S*
| 1.067551
|
*CCCCCCCCNC(=O)CCCCCCCCC(=O)N*
| 0.968044
|
*CCCCCCCCOC(=O)c1cccc(C(=O)O*)c1
| 1.094982
|
*CCCCCCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
| 1.28868
|
*CCCCCCNC(=O)c1ccc(C2(C)CC(C)(C)c3ccc(C(=O)N*)cc32)cc1
| 1.041145
|
*CCCCCCNC(=O)c1cccc(C(=O)N*)c1
| 1.109504
|
*CCCCCCOC(=O)CCCCCCCC(=O)O*
| 1.015596
|
*CCCCCCOC(=O)CCCCCCCCC(=O)O*
| 1.007846
|
*CCCCCCOC(=O)Nc1ccc(C)c(NC(=O)OCCCCCCOc2ccc(-c3ccc(O*)cc3)cc2)c1
| 1.118435
|
*CCCCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1
| 1.134208
|
*CCCCCCOC(=O)c1ccc(C(=O)O*)cc1
| 1.133047
|
*CCCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1
| 1.146197
|
*CCCCCCS(*)(=O)=O
| 1.156037
|
*CCCCCCS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)CCCCCC(=O)O*)cc2)cc1
| 1.129755
|
*CCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1
| 1.167602
|
*CCCCNC(=O)CCCCC(=O)N*
| 1.083299
|
*CCCCNC(=O)CCCCCCC(=O)N*
| 1.039222
|
*CCCCNC(=O)CCCCCCCCC(=O)N*
| 1.014071
|
*CCCCO*
| 0.97244
|
*CCCCOC(=O)CCC(=O)O*
| 1.154961
|
*CCCCOC(=O)CCCCC(=O)O*
| 1.09828
|
*CCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1
| 1.188932
|
*CCCCOc1ccc(C(=O)OCCOC(=O)c2ccc(O*)cc2)cc1
| 1.194436
|
*CCCOC(=O)c1ccc(C(=O)O*)cc1
| 1.225085
|
*CCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1
| 1.218379
|
*CCCS(=O)(=O)c1ccc(/N=N/c2ccc(N(CCCC)CC(=O)O*)cc2)cc1
| 1.178355
|
*CCCSS*
| 1.238118
|
*CCOC(=O)C1CCC(C(=O)O*)CC1
| 1.143004
|
*CCOC(=O)NCC1(C)CC(NC(=O)O*)CC(C)(C)C1
| 1.089306
|
*CCOC(=O)c1ccc(C(=O)O*)c2ccccc12
| 1.278256
|
*CCOC(=O)c1cccc2c(C(=O)O*)cccc12
| 1.280732
|
*CCOCC(=O)O*
| 1.268466
|
*CCOCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1
| 1.215133
|
*CCOCCOC(=O)c1cccc(C(=O)O*)c1
| 1.245569
|
*CCOc1ccc(C(=O)OCCOC(=O)c2ccc(O*)cc2)cc1
| 1.239215
|
*CCS*
| 1.177957
|
*CCc1cc(C)c(*)cc1C
| 0.963046
|
*CCc1ccc(*)c(C)c1
| 1.002787
|
*CCc1ccc(*)c(Cl)c1
| 1.197078
|
*CS*
| 1.336947
|
*Cc1cc(*)c(O)cc1C
| 1.098554
|
*Cc1cc(C(C)(C)c2ccc3c(c2)CN(C)CO3)cc(CN(*)C)c1O
| 1.087876
|
*Cc1ccc2[nH]c(-c3ccc4c(c3)-c3cc(-c5nc6cc(*)ccc6[nH]5)ccc3S4(=O)=O)nc2c1
| 1.209739
|
*Cc1ccc2[nH]c(-c3ccc4sc5ccc(-c6nc7cc(*)ccc7[nH]6)cc5c4c3)nc2c1
| 1.206599
|
*Cc1cccc(CNC(=O)CCCCC(=O)N*)c1
| 1.139826
|
*N(C(=O)CCCCC(=O)N(CCCCCC*)C)C
| 1.018654
|
*N(C(=O)CCCCC(=O)NCCCCCC*)C
| 1.018038
|
*N(C(=O)c1ccc(cc1)C(=O)N(CCCC*)C)C
| 1.101612
|
*N1C(=O)c2c(C1=O)cc(cc2)Oc1cc2c(C(=O)N(C2=O)CCCCCC*)cc1
| 1.227589
|
*N1C(=O)c2c(C1=O)cc(cc2)Oc1cc2c(C(=O)N(C2=O)c2ccc(cc2)Cc2ccc(cc2)*)cc1
| 1.23207
|
*N1C(=O)c2c(C1=O)cc(cc2)Oc1cc2c(C(=O)N(C2=O)c2ccc(cc2)Oc2c3c(ccc2)c(ccc3)Oc2ccc(cc2)*)cc1
| 1.24125
|
*N1C(=O)c2c(C1=O)cc(cc2)Oc1cc2c(C(=O)N(C2=O)c2ccc(cc2)c2ccc(cc2)*)cc1
| 1.235935
|
*N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Oc1cc2c(C(=O)N(C2=O)c2cc(ccc2)*)cc1
| 1.284994
|
*N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Oc1cc2c(C(=O)N(C2=O)c2cc(ccc2)S(=O)(=O)c2cc(ccc2)*)cc1
| 1.29753
|
*N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Oc1cc2c(C(=O)N(C2=O)c2ccc(cc2)Oc2ccc(cc2)*)cc1
| 1.275034
|
*N1C(=O)c2c(C1=O)cc(cc2)c1cc2c(C(=O)N(C2=O)c2ccc(cc2)Sc2ccc(cc2)*)cc1
| 1.250403
|
*N1C(=O)c2c(C1=O)cc(cc2)c1cc2c(C(=O)N(C2=O)c2ccc(cc2)c2ccc(cc2)*)cc1
| 1.230327
|
*N1C(CCC1)C(=O)*
| 1.145244
|
*N=P(*)(OCC(F)(F)F)OCC(F)(F)F
| 1.651958
|
*NC(=O)C*
| 1.369447
|
*NC(=O)CCCCC(=O)NCCCCCC*
| 1.044117
|
*NC(=O)CCCCC*
| 1.032758
|
*NC(=O)CCCCCCC*
| 0.982123
|
*NC(=O)CCCCCCCCC(=O)NCCCCCC*
| 0.995087
|
*NC(=O)CCCCCCCCCC*
| 0.942642
|
*NC(=O)NCCCCCC*
| 1.028709
|
*NC(=O)NCCCCCCNC(=O)Nc1ccc(cc1)Cc1ccc(cc1)*
| 1.122795
|
*NC(=O)NCc1ccc(cc1)CNC(=O)NCCCCCC*
| 1.118168
|
*NC(=O)Nc1ccc(cc1)Cc1ccc(cc1)*
| 1.155094
|
*NC(=O)c1cc(ccc1)C(=O)Nc1ccc(cc1)c1ccc(cc1)*
| 1.197547
|
*NC(=O)c1ccc(cc1)C(=O)NCCCCCC*
| 1.117494
|
*NC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)*
| 1.255555
|
*NC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)c1ccc(cc1)*
| 1.209707
|
*NC(=O)c1ccc(cc1)C(c1ccc(cc1)C(=O)NCCCCCC*)(C)C
| 1.067141
|
*NC(=O)c1ccc(cc1)CC(=O)NCCC*
| 1.176156
|
*NC(=O)c1ccc(cc1)CC(=O)NCCCCCC*
| 1.107782
|
*NC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)NCCCCCC*
| 1.119969
|
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