polymer_id stringlengths 4 7 | smiles stringlengths 3 308 | value float64 -129 495 | source stringclasses 4
values |
|---|---|---|---|
P522055 | *CC(C(=O)OCC(Cl)(Cl)Cl)(F)* | 127 | polyinfo |
P522063 | CCCCCCCCOc1ccc2c(c1*)ccc(c2)c1ccc2c(c1)ccc(c2*)OCCCCCCCC | 68 | polyinfo |
P522066 | *C(C(F)(F)*)OCOC(C(F)(F)*)* | 122 | polyinfo |
P522072 | *c1c(c2ccccc2)c(c2ccccc2)c(c2c1cc(cc2)C(C(F)(F)F)(C(F)(F)F)c1ccc2c(c1)c(*1=CC=CC=C1)c(cc2)c1ccccc1)* | 400 | polyinfo |
P522073 | *c1c(c2ccccc2)c(c2ccccc2)c(c2c1cc(cc2)Oc1ccc2c(c1)c(*1=CC=CC=C1)c(cc2)c1ccccc1)* | 400 | polyinfo |
P522074 | *c1c(c2ccccc2)c(c2ccccc2)c(c2c1cc(cc2)c1ccc2c(c1)c(*1=CC=CC=C1)c(cc2)c1ccccc1)* | 400 | polyinfo |
P522075 | *c1c(c2ccccc2)c(c2ccccc2)c(c2c1cc(cc2)C1(c2ccc3c(c2)c(*2=CC=CC=C2)c(cc3)c2ccccc2)c2ccccc2-c2c1cccc2)* | 400 | polyinfo |
P010006 | *CC(C(C)C)* | 60 | polyinfo |
P522035 | CCCCCCCCC1(CCCCCCCC)c2cc(ccc2-c2c1cc(*)cc2)c1ccc2-c3c([C]4(=CC=C(C=C4)C(C)(C)C)c2c1)cc(cc3)* | 166 | polyinfo |
P522036 | CCCCCCCCC1(CCCCCCCC)c2cc(*)ccc2-c2c1cc(cc2)c1ccc2-c3c([C]4(=C[C](=C[C](=C4)(C)C)(C)C)c2c1)cc(cc3)* | 132 | polyinfo |
P522037 | *C=C([As](c1ccccc1)*)c1ccccc1 | 92.9 | polyinfo |
P522041 | *CC(C1(F)C(*)CC(C1(F)F)(O)C(F)(F)F)(F)F | 152 | polyinfo |
P522047 | *CC(C1(F)CC(CC1*)CC(C(F)(F)F)(C(F)(F)F)O)(F)F | 98 | polyinfo |
P522048 | *CC(C1(F)CC(CC1*)C(C(F)(F)F)(C(F)(F)F)O)(F)F | 118 | polyinfo |
P522049 | CCCCCCC1(CCCCCC)c2cc(*)ccc2-c2c1cc(cc2)c1ccc2-c3c([C]4(=CC=[C](C=C4)(C4=NC(CO4)c4ccccc4)C4=NC(CO4)c4ccccc4)c2c1)cc(cc3)* | 161 | polyinfo |
P522050 | CCCCCCC1(CCCCCC)c2cc(ccc2-c2c1cc(*)cc2)c1ccc2-c3c([C]4(=CC=[C](C=C4)(C4=NC(CO4)Cc4ccccc4)C4=NC(CO4)Cc4ccccc4)c2c1)cc(cc3)* | 142 | polyinfo |
P522008 | *CC(C(=O)OCC(C(C(F)(F)F)(F)F)(F)F)(F)* | 75 | polyinfo |
P522009 | *CC(C(=O)OCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)* | 63 | polyinfo |
P522016 | *CC(C(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)* | 6 | polyinfo |
P522017 | *CC(C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)* | 53 | polyinfo |
P522018 | *CC(C(=O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)* | 53 | polyinfo |
P522019 | *CC(C(=O)OC(C(F)(F)F)C(F)(F)F)(F)* | 102 | polyinfo |
P522020 | CCOC(=O)C(C*)(F)* | 94 | polyinfo |
P522021 | CCCOC(=O)C(C*)(F)* | 62 | polyinfo |
P520015 | *C=C[Ge](c1ccccc1)(c1ccccc1)* | -36 | polyinfo |
P520020 | *[Se]c1c(Cl)c(Cl)c(c(c1Cl)Cl)* | 104 | polyinfo |
P520022 | *CC(C(=O)OCC(F)(F)F)(F)* | 118 | polyinfo |
P520023 | *CC(C(=O)OCC(C(F)(F)F)(F)F)(F)* | 99 | polyinfo |
P520024 | *CC(C(=O)OCC(C(F)F)(F)F)(F)* | 90.5 | polyinfo |
P520025 | *CC(C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)* | 60 | polyinfo |
P520026 | *CC(C(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)* | 87.5 | polyinfo |
P520030 | FC(COC(C(F)(F)*)(F)*)(F)F | 29 | polyinfo |
P020010 | CCCCCOCc1ccccc1C(C*)* | 47 | polyinfo |
P020011 | *CC(c1ccccc1COCCC(C)C)* | 78 | polyinfo |
P020012 | *CC(c1ccccc1COCc1ccccc1)* | 72 | polyinfo |
P020013 | *CC(c1ccccc1COCCc1ccccc1)* | 63 | polyinfo |
P020014 | *CC(c1ccccc1C(=O)NC)* | 189 | polyinfo |
P020015 | *CC(c1ccccc1C(=O)N(C)C)* | 190 | polyinfo |
P020016 | *CC(c1ccccc1C(=O)Nc1ccccc1)* | 191 | polyinfo |
P020017 | *CC(c1ccccc1C(=O)O)* | 177 | polyinfo |
P014525 | *CC/C=C(/C(C)(C)C)\* | 25 | polyinfo |
P020001 | *CC(c1ccccc1)* | 98 | polyinfo |
P020002 | *CC(c1ccccc1C)* | 131 | polyinfo |
P020005 | COCc1ccccc1C(C*)* | 89 | polyinfo |
P020006 | CCOCc1ccccc1C(C*)* | 74 | polyinfo |
P020007 | CCCOCc1ccccc1C(C*)* | 97 | polyinfo |
P020008 | *CC(c1ccccc1COC(C)C)* | 88 | polyinfo |
P020009 | CCCCOCc1ccccc1C(C*)* | 67 | polyinfo |
P010092 | *CC(C1CCC(CC1)C)* | 132 | polyinfo |
P010096 | *CCC=C(CCCCCCC)* | -83 | polyinfo |
P010097 | *CCC=C(C(C)C)* | -47 | polyinfo |
P010098 | *CCC/C=C\* | -114 | polyinfo |
P010103 | *C=CC1CCC(C1)* | 31 | polyinfo |
P010106 | *CCCCCCCCCCC=C* | -53 | polyinfo |
P014362 | *C=C* | -30.5 | polyinfo |
P014500 | *CC1(*)CCCCC1 | 100 | polyinfo |
P010007 | CCCCC(C*)* | -48.3 | polyinfo |
P010002 | *CC(C)* | -0.39 | polyinfo |
P010003 | *CC(CC)* | -24.05 | polyinfo |
P010004 | CCCC(C*)* | -36 | polyinfo |
P010080 | CCCCCCCCCCCCCCC(C*)* | -24 | polyinfo |
P010081 | *CCCCCCC=C* | -78 | polyinfo |
P010082 | *CCC/C=C/* | -92.5 | polyinfo |
P010091 | *CC(C1CCCC(C1)C)* | 141 | polyinfo |
P020088 | *CC(c1ccc(cc1)C(=O)N1CCOCC1)* | 127 | polyinfo |
P020090 | *CC(c1ccc(cc1)C(=O)OC)* | 122 | polyinfo |
P020091 | CCOC(=O)c1ccc(cc1)C(C*)* | 94 | polyinfo |
P020092 | CCCOC(=O)c1ccc(cc1)C(C*)* | 92 | polyinfo |
P020093 | *CC(c1ccc(cc1)C(=O)OC(C)C)* | 95 | polyinfo |
P020094 | CCCCOC(=O)c1ccc(cc1)C(C*)* | 76 | polyinfo |
P020095 | *CC(c1ccc(cc1)C(=O)OCC(C)C)* | 90 | polyinfo |
P020096 | CCCCCCOC(=O)c1ccc(cc1)C(C*)* | 66 | polyinfo |
P020078 | OCCCCOCc1ccc(cc1)C(C*)* | 20 | polyinfo |
P020079 | *CC(c1ccc(cc1)COC(CC)C)* | 40 | polyinfo |
P020080 | CCCCCCOCc1ccc(cc1)C(C*)* | -20 | polyinfo |
P020083 | CCCCOCCOCc1ccc(cc1)C(C*)* | -38 | polyinfo |
P020084 | *CC(c1ccc(cc1)C(=O)N(C)C)* | 125 | polyinfo |
P020085 | *CC(c1ccc(cc1)C(=O)N(CC)CC)* | 102 | polyinfo |
P020086 | *CC(c1ccc(cc1)C(=O)N1CCCCC1)* | 114 | polyinfo |
P020087 | *CC(c1ccc(cc1)C(=O)CCN1CCCCC1)* | 38 | polyinfo |
P020069 | CCCCCC(c1ccc(cc1)C(C*)*)(O)C | 92.5 | polyinfo |
P020070 | *CC(c1ccc(cc1)C(CCN(C)C)O)* | 43 | polyinfo |
P020071 | *CC(c1ccc(cc1)C(CCN1CCCCC1)O)* | 54 | polyinfo |
P020072 | *CC(c1ccc(cc1)C(CCN1CCOCC1)O)* | 50 | polyinfo |
P020074 | COCc1ccc(cc1)C(C*)* | 77 | polyinfo |
P020075 | OCCOCc1ccc(cc1)C(C*)* | 46 | polyinfo |
P020076 | CCCOCc1ccc(cc1)C(C*)* | 22 | polyinfo |
P020077 | CCCCOCc1ccc(cc1)C(C*)* | 10 | polyinfo |
P020061 | *CC(c1ccc(cc1)Cl)* | 124 | polyinfo |
P020062 | *CC(c1ccc(cc1)Br)* | 134.5 | polyinfo |
P020063 | *CC(c1ccc(cc1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)* | 42 | polyinfo |
P020064 | *CC(c1ccc(cc1)C(=NO)C)* | 134 | polyinfo |
P020065 | *CC(c1ccc(cc1)C(O)(C)C)* | 165 | polyinfo |
P020066 | *CC(c1ccc(cc1)C(CC)(O)C)* | 186 | polyinfo |
P020067 | CCCC(c1ccc(cc1)C(C*)*)(O)C | 130 | polyinfo |
P020068 | CCCCC(c1ccc(cc1)C(C*)*)(O)C | 82.5 | polyinfo |
P020133 | *C(c1cc(Cl)ccc1Cl)C* | 108 | polyinfo |
P020136 | CCCCOc1ccc(cc1C(C*)*)Br | 47 | polyinfo |
P020137 | CCOc1ccc(cc1C(C*)*)Br | 80 | polyinfo |
P020138 | *C(c1cc(Br)ccc1OC)C* | 86 | polyinfo |
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