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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