SMILES
stringlengths 4
164
| Density
float64 0.74
1.91
|
|---|---|
*Oc1ccc(OC(=O)c2ccccc2/C=C/c2ccc(/C=C/c3ccccc3C(*)=O)cc2)cc1
| 1.170702
|
*Oc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(*)cc4)c4ccccc34)cc2)cc1
| 1.172688
|
*Oc1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(*)cc4)cc3)cc2)cc1
| 1.24892
|
*Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3ccccc3/C=C/c3ccc(/C=C/c4ccccc4C(*)=O)cc3)cc2)cc1
| 1.203593
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(C)(C)c4cc(C)c(*)c(C)c4)cc3C)cc2)cc1
| 1.07001
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(C)(C)c4cc(C)c(*)c(C)c4)cc3C)cc2C(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c1
| 1.262428
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(c4cc(C)c(*)c(C)c4)(C(F)(F)F)C(F)(F)F)cc3C)cc2)cc1
| 1.19083
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(*)cc4)cc3)cc2)cc1
| 1.222343
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4cc(Br)cc(C(=O)c5ccc(*)cc5)c4)cc3)cc2)cc1
| 1.339021
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4cc(C(=O)c5ccc(*)cc5)cc(C(C)(C)C)c4)cc3)cc2)cc1
| 1.161899
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4cc(I)cc(C(=O)c5ccc(*)cc5)c4)cc3)cc2)cc1
| 1.433742
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(*)cc5)c4)cc3)cc2)cc1
| 1.236059
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)c(C(O)(C(F)(F)F)C(F)(F)F)c4)cc3C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1
| 1.345764
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)c(C(OC)(C(F)(F)F)C(F)(F)F)c4)cc3C(OC)(C(F)(F)F)C(F)(F)F)cc2)cc1
| 1.295766
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
| 1.242882
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3[N+](=O)[O-])cc2)cc1
| 1.208636
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(*)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1
| 1.323061
|
*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Cc4ccc(*)cc4)cc3)cc2)cc1
| 1.212082
|
*Oc1ccc(SC(=O)Oc2ccc(C(C)(C)c3ccc(OC(=O)Sc4ccc(*)cc4)cc3)cc2)cc1
| 1.209563
|
*Oc1ccc(SC(=O)Sc2ccc(*)cc2)cc1
| 1.273621
|
*Oc1ccc(Sc2ccc(OC(*)=O)cc2)cc1
| 1.293121
|
*Oc1ccc(cc1)C(=O)CCCCCCCCC(=O)c1ccc(cc1)OC(=O)*
| 1.140449
|
*Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)*)(C(F)(F)F)C(F)(F)F
| 1.384457
|
*Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)*)(C)C
| 1.141157
|
*Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)*)(c1ccccc1)C#N
| 1.15729
|
*Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)*)(c1ccccc1)c1ccccc1
| 1.105355
|
*Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)CCCCC(=O)*)(C)C
| 1.124186
|
*Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)c1cc(ccc1)C(=O)*)(C)C
| 1.151162
|
*Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)c1ccc(cc1)C(=O)*)(C)C
| 1.155215
|
*Oc1ccc(cc1)C(c1ccc(cc1)OCC(C*)O)(C)C
| 1.103869
|
*Oc1ccc(cc1)C1(CCCC1)c1ccc(cc1)OC(=O)*
| 1.143969
|
*Oc1ccc(cc1)C1(c2ccccc2c2ccccc12)c1ccc(cc1)OC(=O)*
| 1.128461
|
*Oc1ccc(cc1)OC(=O)Oc1ccc(cc1)c1ccc(cc1)OC(=O)*
| 1.272056
|
*Oc1ccc(cc1)Oc1ccc(cc1)C(=O)c1ccc(cc1)*
| 1.198378
|
*Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)*
| 1.281089
|
*Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OC(=O)*
| 1.338016
|
*Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OC(=O)c1ccc(cc1)C(=O)*
| 1.29529
|
*Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)C(c1ccc(cc1)*)(C)C
| 1.170202
|
*Oc1ccc(cc1)c1ccc(cc1)OC(=O)CCCCCC(=O)*
| 1.161103
|
*Oc1ccc2[nH]c(-c3ccc4c(c3)-c3cc(-c5nc6cc(*)ccc6[nH]5)ccc3S4(=O)=O)nc2c1
| 1.242049
|
*Oc1ccc2[nH]c(-c3ccc4sc5ccc(-c6nc7cc(*)ccc7[nH]6)cc5c4c3)nc2c1
| 1.250418
|
*Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OC(*)=O)cc21
| 1.054953
|
*Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc21
| 1.075104
|
*Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc21
| 1.088263
|
*Oc1ccc2c(c1)nc1c3cc4c(=O)n5c6cc(*)ccc6nc5c4cc3c(=O)n21
| 1.307297
|
*Oc1ccc2c(c1)nc1n2C(=O)c2ccc(-c3ccc4c(c3)C(=O)n3c-4nc4ccc(*)cc43)cc2-1
| 1.266039
|
*Oc1ccc2ccc(OC(=O)c3ccccc3/C=C/c3ccc(/C=C/c4ccccc4C(*)=O)cc3)cc2c1
| 1.174043
|
*Oc1cccc(OC(=O)c2ccccc2/C=C/c2ccc(/C=C/c3ccccc3C(*)=O)cc2)c1
| 1.152284
|
*Oc1cccc(Oc2cccc(*)c2)c1C#N
| 1.208287
|
*Oc1cccc(S(=O)(=O)c2ccc(*)cc2)c1
| 1.288531
|
*Oc1cccc2c(OC(=O)c3ccccc3/C=C/c3ccc(/C=C/c4ccccc4C(*)=O)cc3)cccc12
| 1.159484
|
*Oc1cccc2ccc(OC(=O)c3ccccc3/C=C/c3ccc(/C=C/c4ccccc4C(*)=O)cc3)cc12
| 1.161362
|
*Oc1ccccc1OC(=O)c1ccccc1/C=C/c1ccc(/C=C/c2ccccc2C(*)=O)cc1
| 1.154344
|
*S(=O)(=O)c1ccc(cc1)NC(=O)CCCCC(=O)Nc1ccc(cc1)*
| 1.254164
|
*Sc1ccc(Cc2ccc(SC(*)=O)cc2)cc1
| 1.226614
|
*Sc1ccc(cc1)*
| 1.26103
|
*c1c(C)c(C)c(-n2c(=O)c3cc4c(=O)n(*)c(=O)c4cc3c2=O)c(C)c1C
| 0.99915
|
*c1c(C)cc(C(c2cc(C)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C)c2)c2cccc3ccccc23)cc1C
| 1.048715
|
*c1cc(Br)c(OC(=O)c2ccc(C(=O)Oc3c(Br)cc(C4(*)OC(=O)c5ccccc54)cc3Br)cc2)c(Br)c1
| 1.625019
|
*c1cc(C(c2ccc(O)c(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O
| 1.357726
|
*c1cc(C(c2ccc(O)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O
| 1.297635
|
*c1cc(C(c2ccc(O)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O
| 1.344261
|
*c1cc(CCCC)c(*)s1
| 1.03641
|
*c1cc2c(C(=O)N(C2=O)c2cc(ccc2)C(=O)c2cc(ccc2)N2C(=O)c3c(C2=O)cc(cc3)C(=O)*)cc1
| 1.261275
|
*c1cc2c(C(=O)N(C2=O)c2cc(ccc2)NC(=O)c2cc(ccc2)N2C(=O)c3c(C2=O)cc(cc3)C(=O)*)cc1
| 1.277306
|
*c1cc2c(C(=O)N(C2=O)c2cc(ccc2)OCCOCCOc2cc(ccc2)N2C(=O)c3c(C2=O)cc(cc3)C(=O)*)cc1
| 1.277701
|
*c1cc2c(C(=O)N(C2=O)c2ccc(cc2)C(=O)NCCCCCCNC(=O)*)cc1
| 1.20896
|
*c1cc2c(C(=O)N(C2=O)c2ccc(cc2)Oc2ccc(cc2)N2C(=O)c3c(C2=O)cc(cc3)C(C(C(*)(F)F)(F)F)(F)F)cc1
| 1.358627
|
*c1cc2c(C(=O)N(C2=O)c2ccc(cc2)Oc2ccc(cc2)NC(=O)*)cc1
| 1.264286
|
*c1cc2c(C(=O)N(C2=O)c2ccc(cc2)S(=O)(=O)c2ccc(cc2)N2C(=O)c3c(C2=O)cc(cc3)C(=O)Nc2ccc(cc2)NC(=O)*)cc1
| 1.292535
|
*c1cc2c(C(=O)N(C2=O)c2ccc(cc2)S(=O)(=O)c2ccc(cc2)N2C(=O)c3c(C2=O)cc(cc3)C(=O)Nc2ccc(cc2)Oc2ccc(cc2)NC(=O)*)cc1
| 1.279176
|
*c1ccc(*)s1
| 1.283756
|
*c1ccc(-c2ccc(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1
| 1.189478
|
*c1ccc(-c2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)c(C)c2)cc1C
| 1.085667
|
*c1ccc(-c2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)c(OC)c2)cc1OC
| 1.102881
|
*c1ccc(-c2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)cc2C(F)(F)F)c(C(F)(F)F)c1
| 1.235584
|
*c1ccc(-c2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)cc2OC(F)(F)F)c(OC(F)(F)F)c1
| 1.340617
|
*c1ccc(-c2ccc(N3C(=O)c4cc5c(cc4C3=O)C(C(F)(F)F)(C(F)(F)F)c3cc4c(cc3O5)C(=O)N(*)C4=O)cc2C(F)(F)F)c(C(F)(F)F)c1
| 1.258324
|
*c1ccc(-c2ccc(N3C(=O)c4cc5c(cc4C3=O)C(C(F)(F)F)(C(F)(F)F)c3cc4c(cc3O5)C(=O)N(*)C4=O)cc2OC(F)(F)F)c(OC(F)(F)F)c1
| 1.308167
|
*c1ccc(-c2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C)c2)cc1C
| 1.130906
|
*c1ccc(-c2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(OC)c2)cc1OC
| 1.132406
|
*c1ccc(-c2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1
| 1.235349
|
*c1ccc(-c2ccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)c(C)c2)cc1C
| 1.114037
|
*c1ccc(-c2ccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1
| 1.241363
|
*c1ccc(-c2ccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)cc2C)c(C)c1
| 1.114377
|
*c1ccc(-c2ccc(Oc3ccc(C4(C)CC(C)(C)c5ccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(*)C%11=O)cc9C8=O)cc7)cc6C(F)(F)F)cc54)cc3)c(C(F)(F)F)c2)cc1
| 1.205588
|
*c1ccc(-c2nc3cc(-c4ccc5nc(*)c(-c6ccc7ccccc7c6)nc5c4)ccc3nc2-c2ccc3ccccc3c2)cc1
| 1.072232
|
*c1ccc(-c2nc3cc(-c4ccc5nc(*)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)cc1
| 1.056649
|
*c1ccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(*)nc5c4)ccc3nc2-c2ccccc2)cc1
| 1.056459
|
*c1ccc(-c2sc(-c3ccc(-n4c(=O)c5cc6c(=O)n(*)c(=O)c6cc5c4=O)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1
| 1.124308
|
*c1ccc(-n2c(=O)c3cc4c(=O)n(*)c(=O)c4cc3c2=O)c(C)c1
| 1.159594
|
*c1ccc(C(=O)Nc2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)cc2)cc1
| 1.312417
|
*c1ccc(C(=O)Oc2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)cc2)cc1
| 1.318962
|
*c1ccc(C(=O)Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1
| 1.281209
|
*c1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1
| 1.117686
|
*c1ccc(C(C)(C)c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1
| 1.18832
|
*c1ccc(C(Cl)(Cl)C(*)Cl)cc1
| 1.388472
|
*c1ccc(C(c2ccc(-c3nc4cc(-c5ccc6nc(*)[nH]c6c5)ccc4[nH]3)cc2)(C(F)(F)F)C(F)(F)F)cc1
| 1.234291
|
*c1ccc(C(c2ccc(-c3nc4ccc(-c5ccc6nc(*)[nH]c6c5)cc4[nH]3)cc2)(C(F)(F)F)C(F)(F)F)cc1
| 1.236638
|
*c1ccc(C(c2ccc(N3C(=O)c4cc5c(cc4C3=O)C(C(F)(F)F)(C(F)(F)F)c3cc4c(cc3O5)C(=O)N(*)C4=O)cc2)(C(F)(F)F)C(F)(F)F)cc1
| 1.308884
|
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