File size: 18,453 Bytes

5c5099a

Unnamed: 0,POLYMER SMILES,log CO2 (barrer),log CH4 (barrer),log N2 (barrer),CO2_CH4,CO2_N2
786,<polymer_spg>[*:1]c1ccc(Oc2ccc(C([*:2])(c3ccccc3)C(F)(F)F)cc2)cc1;2->1,1.230448921378274,-0.1870866433571444,-0.1611509092627447,26.15384615384616,24.637681159420293
479,<polymer_spg>[*:1]Oc1ccc(C(=O)c2ccc(Oc3c(C)cc(-c4cc(C)c([*:2])c(C)c4)cc3C)cc2)cc1;2->1,1.287801729930226,0.0090257420869102,-0.0127807700919951,19.00097943192948,19.979402677651905
545,<polymer_spg>[*:1]CC([*:2])c1ccc([Si](C)(C)C)cc1;2->1,2.3560258571931225,1.5314789170422551,1.2041199826559248,6.676470588235294,14.1875
706,<polymer_spg>[*:1]OCC([*:2])CCl;2->1,0.9030899869919436,-0.1824346304402192,-0.619788758288394,12.1765601217656,33.333333333333336
224,<polymer_spg>[*:1]Oc1c(-c2ccccc2)cc([*:2])cc1-c1ccccc1;2->1,1.6009728956867482,0.4313637641589873,0.1760912590556812,14.777777777777777,26.6
783,<polymer_spg>[*:1]Cc1ccc(C2(c3ccc([*:2])cc3)OC(=O)c3ccccc32)cc1;2->1,1.8573324964312683,0.4593924877592308,0.3785795761157748,25.0,30.1129234629862
885,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C;2->1,4.672097857935717,4.477121254719663,4.068185861746161,1.5666666666666669,4.017094017094017
342,<polymer_spg>[*:1]CC([*:2])C(=O)OC;2->1,0.8241258339165489,-0.6289321377282637,-0.7281583934635011,28.382978723404257,35.668449197860966
731,<polymer_spg>[*:1]Nc1ccc(C(c2ccc(NC(=O)c3ccc(Oc4cc(C(C)(C)C)c(Oc5ccc(C([*:2])=O)cc5)cc4C(C)(C)C)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.5563025007672873,0.146128035678238,0.1789769472931694,25.714285714285715,23.841059602649008
431,<polymer_spg>[*:1]N=P([*:2])(Oc1ccc(Br)cc1)Oc1ccc(Br)cc1;2->1,0.6127838567197355,-0.4559319556497244,-0.744727494896694,11.714285714285714,22.77777777777777
1,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4cc(Oc5ccccc5)c(-c5cc6c(cc5Oc5ccccc5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,1.4785664955938431,-0.0705810742857072,-0.0809219076239261,35.411764705882355,36.26506024096386
200,<polymer_spg>[*:1]c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc(C(c5ccc(OC(=O)c6ccc7c(c6)C(=O)N([*:2])C7=O)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3C2=O)cc1;2->1,,,-1.449771646944906,,
481,<polymer_spg>[*:1]Oc1c(C)cc(C(c2cc(C)c(OC([*:2])=O)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C;2->1,2.0453229787866576,0.6720978579357175,0.8864907251724818,23.617021276595743,14.415584415584416
911,<polymer_spg>[*:1]C(=C([*:2])c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(F)cc1;2->1,3.004321373782642,2.230448921378274,1.806179973983887,5.941176470588236,15.78125
75,<polymer_spg>[*:1]c1cccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c1;2->1,0.9637878273455552,-0.7958800173440752,-0.3496924768680635,57.49999999999999,20.58165548098433
8,<polymer_spg>[*:1]Oc1ccc(C(=O)c2ccccc2-c2ccccc2C(=O)c2ccc(Oc3c(C)cc(-c4cc(C)c([*:2])c(C)c4)cc3C)cc2)cc1;2->1,0.8426092396105621,-0.5783960731301689,-0.5361070110140927,26.363636363636363,23.91752577319588
202,<polymer_spg>[*:1]c1ccc(-c2ccc(N3C(=O)c4ccc(C(=O)Oc5ccc(C(c6ccc(OC(=O)c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4C3=O)cc2)cc1;2->1,,,-2.1870866433571443,,
787,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C([*:2])(c5ccccc5)C(F)(F)F)cc4)cc3)cc2)cc1;2->1,0.6232492903979004,,-0.8239087409443188,,28.000000000000004
214,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C([*:2])=O)cc3)c(C)c2)cc1C;2->1,0.7634279935629372,-0.769551078621726,-0.638272163982407,34.11764705882353,25.217391304347824
103,<polymer_spg>[*:1]c1c(C)cc(C)c(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c1C;2->1,2.4756711883244296,1.1789769472931697,1.230448921378274,19.80132450331126,17.58823529411765
784,<polymer_spg>[*:1]c1ccc(-c2ccc(C([*:2])(c3ccccc3)C(F)(F)F)cc2)cc1;2->1,2.220108088040055,1.0,0.8195439355418687,16.6,25.151515151515152
624,<polymer_spg>[*:1]O[Si]([*:2])(C)c1ccccc1;2->1,,,0.9339931638312424,,
780,<polymer_spg>[*:1]c1cccc(-c2nnc([*:2])n2-c2ccccc2)c1;2->1,0.4313637641589873,-1.3089185078770316,-1.0457574905606752,54.989816700611,30.000000000000004
677,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.6720978579357175,-1.0969100130080565,-0.8239087409443188,58.75,31.333333333333336
247,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(OC([*:2])=O)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.380211241711606,0.021189299069938,0.2304489213782739,22.857142857142858,14.117647058823527
922,<polymer_spg>[*:1]C(C)=C([*:2])CCCCCC;2->1,2.361727836017593,1.806179973983887,1.3617278360175928,3.59375,10.0
737,<polymer_spg>[*:1]Nc1ccc(C(=O)c2ccc(NC(=O)c3cccc(C([*:2])=O)c3)cc2)cc1;2->1,-0.494850021680094,,,,
141,<polymer_spg>[*:1]c1ccc(C(c2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.437750562820388,-0.1186153432294271,0.0791812460476248,36.00525624178712,22.83333333333333
601,<polymer_spg>[*:1]N=P([*:2])(OCC(C)(C)C)OCC(C)(C)C;2->1,1.6875289612146342,0.8756399370041684,0.5390760987927766,6.48468708388815,14.07514450867052
535,<polymer_spg>[*:1]CC([*:2])(C)c1ccccc1;2->1,0.4771212547196624,-0.8538719643217619,-0.8239087409443188,21.428571428571427,20.0
913,<polymer_spg>[*:1]C(C)=C([*:2])C(C)C;2->1,4.02938377768521,3.462397997898956,3.123851640967086,3.689655172413793,8.045112781954888
977,<polymer_spg>[*:1]C1C2CC(CCCC)C(C2)C1[*:2];2->1,2.151982395457474,1.4533183400470375,1.0492180226701815,4.996478873239437,12.669642857142858
303,<polymer_spg>[*:1]Oc1c(-c2ccccc2)cc([*:2])cc1-c1ccccc1;2->1,1.6009728956867482,0.4313637641589873,0.1760912590556812,14.777777777777777,26.6
358,<polymer_spg>[*:1]c1ccc(Oc2cccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)c2)cc1;2->1,0.0718820073061253,-1.58838029403677,-1.342944147142896,45.73643410852713,25.99118942731277
249,<polymer_spg>[*:1]Oc1c(C)cc(-c2cc(C)c(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)c(C)c2C)c(C)c1C;2->1,1.4065401804339552,-0.0268721464003013,0.0791812460476248,27.127659574468087,21.25
751,<polymer_spg>[*:1]Cc1cc(Cl)c(C[*:2])cc1Cl;2->1,-0.1062382379420565,,-1.5670307091255944,,28.892988929889302
272,<polymer_spg>[*:1]OC(=O)c1ccc(C(=O)Oc2ccc(C3(c4ccc(O[*:2])c(C)c4)OC(=O)c4ccccc43)cc2C)cc1;2->1,0.6989700043360189,-0.744727494896694,-0.8239087409443188,27.77777777777778,33.333333333333336
669,<polymer_spg>[*:1]Oc1c(C)cc(C(C)(C)c2cc(C)c(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4C(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c(C)c2)cc1C;2->1,1.4771212547196624,,0.1760912590556812,,20.0
820,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C;2->1,4.568201724066995,4.264817823009537,3.8382192219076257,2.010869565217391,5.370101596516691
921,<polymer_spg>[*:1]C(C)=C([*:2])CCCCC;2->1,2.3010299956639813,1.7075701760979365,1.3222192947339193,3.92156862745098,9.523809523809524
85,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)cc1;2->1,1.2227164711475833,-0.4672456210075022,-0.134896025358872,48.97360703812316,22.78308321964529
382,<polymer_spg>[*:1]Oc1ccc(-c2ccc(Oc3c(F)c(F)c(COC(c4cccc(C(OCc5c(F)c(F)c([*:2])c(F)c5F)(C(F)(F)F)C(F)(F)F)c4)(C(F)(F)F)C(F)(F)F)c(F)c3F)cc2)cc1;2->1,0.9138138523837168,-0.4685210829577448,-0.2146701649892329,24.117647058823525,13.442622950819672
1007,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(S(=O)(=O)c5ccc([*:2])cc5)cc4)cc3)OC(=O)c3ccccc32)cc1;2->1,0.7589118923979735,-0.8446639625349383,-0.7772835288524167,40.13986013986015,34.371257485029936
634,<polymer_spg>[*:1]c1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.7634279935629372,-0.585026652029182,-0.585026652029182,22.307692307692307,22.307692307692307
665,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.7993405494535817,,-0.721246399047171,,33.1578947368421
77,<polymer_spg>[*:1]c1cccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c1;2->1,0.988112840268352,-0.6777807052660807,-0.4202164033831898,46.333333333333336,25.605263157894736
489,<polymer_spg>[*:1]Oc1c(C)cc(C(C)(C)c2cc(C)c(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)c(C)c2)cc1C;2->1,1.3222192947339193,-0.0222763947111522,0.0253058652647702,22.105263157894736,19.81132075471698
15,<polymer_spg>[*:1]Oc1ccc(Oc2ccc(C(=O)c3ccc([*:2])cc3)cc2)c(-c2cccc(C)c2)c1;2->1,0.0,-1.619788758288394,-1.537602002101044,41.66666666666666,34.48275862068965
432,<polymer_spg>[*:1]N=P([*:2])(OCCOCCOC)OCCOCCOC;2->1,2.397940008672037,1.0413926851582251,0.6020599913279624,22.727272727272727,62.5
798,<polymer_spg>[*:1]c1ccc(-c2nc3cc(C(c4ccc5oc(-c6ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc6)nc5c4)(C(F)(F)F)C(F)(F)F)ccc3o2)cc1;2->1,3.623352681537992,2.1789769472931693,2.453318340047037,27.82119205298013,14.79225352112676
561,<polymer_spg>[*:1]CC([*:2])OC1CC2CC1C1CCCC21;2->1,1.100370545117563,,0.0791812460476248,,10.5
854,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(ccc3ccccc32)c1)c1ccc([Si](C)(C)C)cc1;2->1,3.322219294733919,2.6989700043360187,2.278753600952829,4.2,11.052631578947368
308,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc4c(c3)C3(CC4(C)C)CC(C)(C)c4ccc(Oc5ccc(-c6ccc(N7C(=O)c8ccc(Oc9ccc(C(C)(C)c%10ccc(Oc%11ccc%12c(=C)n([*:2])c(=C)c%12c%11)cc%10)cc9)cc8C7=O)cc6)cc5C(F)(F)F)cc43)c(C(F)(F)F)c2)cc1;2->1,1.3778524190067545,-0.4559319556497244,0.0086001717619175,68.2,23.40196078431373
511,<polymer_spg>[*:1]C=Cc1ccc([*:2])cc1[Si](C)(C)CCCCCCCC;2->1,1.7781512503836436,,0.5910646070264992,,15.384615384615383
317,<polymer_spg>[*:1]c1ccc(Oc2ccc(-c3ccc(-c4ccc(Oc5ccc(N6C(=O)c7ccc(C(c8ccc9c(c8)C(=O)N([*:2])C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)c(C(F)(F)F)c4)s3)cc2C(F)(F)F)cc1;2->1,1.6561940621791855,0.2253092817258628,0.250420002308894,26.9702380952381,25.455056179775283
959,<polymer_spg>[*:1]c1cc(C(c2ccc(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(CC(C)(C)c4cc5oc6cc8c(=O)n([*:2])c(=O)c8cc6oc5cc43)CC7(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1C;2->1,2.322219294733919,0.9542425094393248,0.9542425094393248,23.33333333333333,23.33333333333333
530,<polymer_spg>[*:1]C=CC1CC([*:2])CC1[Si](C)(C)C;2->1,1.9493900066449128,1.230448921378274,0.8573324964312685,5.235294117647059,12.36111111111111
1042,<polymer_spg>[*:1]c1ccc(Oc2ccc(ON3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c3c2C2c4ccccc4C3c3ccccc32)cc1C;2->1,0.9542425094393248,-0.638272163982407,-0.3872161432802645,39.130434782608695,21.951219512195124
14,<polymer_spg>[*:1]Oc1ccc(Oc2cccc([*:2])c2C#N)c(-c2cccc(C(F)(F)F)c2)c1;2->1,0.568201724066995,-1.0457574905606752,-0.8239087409443188,41.11111111111112,24.666666666666668
724,<polymer_spg>[*:1]Nc1cccc(S(=O)(=O)c2cccc(NC(=O)c3ccc4c(c3)C(C)(C)CC4(C)c3ccc(C([*:2])=O)cc3)c2)c1;2->1,0.3424226808222063,-1.3979400086720375,-1.2218487496163564,55.0,36.66666666666667
55,<polymer_spg>[*:1]c1cc2c(c(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c1C)C(C)(C)CC2;2->1,2.840106094456758,1.7032913781186614,1.7678976160180906,13.702970297029704,11.808873720136518
279,<polymer_spg>[*:1]Oc1ccc2c(c1)-c1nc3c(Oc4ccc5nc6n(c5c4)C(=O)c4cc([*:2])ccc4-6)cccc3n1C2=O;2->1,,,-1.585026652029182,,
467,<polymer_spg>[*:1]Oc1c(Br)cc(C(C)(C)c2cc(Br)c(OC([*:2])=O)c(Br)c2)cc1Br;2->1,0.6232492903979004,-0.9208187539523752,-0.6989700043360187,35.0,21.0
683,<polymer_spg>[*:1]CC[*:2];2->1,0.2041199826559248,,-0.5376020021010439,,5.517241379310345
27,<polymer_spg>[*:1]c1ccc(C)c(-c2cc(C)c(-c3cc([*:2])ccc3C)cc2C)c1;2->1,1.792391689498254,0.2787536009528289,0.380211241711606,32.631578947368425,25.833333333333336
378,<polymer_spg>[*:1]=CC1CC(C=[*:2])C2C(=O)N(c3ccccc3)C(=O)C12;2->1,1.0584260244570054,-0.2676062401770314,-0.5086383061657274,21.185185185185183,36.90322580645161
838,<polymer_spg>[*:1]C(=C([*:2])c1cccc([Si](C)(C)C)c1)c1ccccc1;2->1,3.6020599913279625,3.1760912590556813,2.785329835010767,2.6666666666666665,6.557377049180328
893,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C)c1ccccc1;2->1,4.561101383649056,4.401400540781544,4.017033339298781,1.4444444444444444,3.5
319,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc(C4(c5cccc(Oc6ccc(-c7ccc(-n8c(=O)c9cc%10c(=O)n([*:2])c(=O)c%10cc9c8=O)cc7)cc6C(F)(F)F)c5)c5ccccc5C(=O)N4c4ccccc4)cc3)c(C(F)(F)F)c2)cc1;2->1,1.5973660502660276,-0.1023729087095585,0.0791812460476248,50.088607594936704,32.975
521,<polymer_spg>[*:1]OC(=O)Oc1ccc(C2(c3ccc([*:2])cc3)c3ccccc3-c3ccccc32)cc1;2->1,1.1789769472931697,-0.2358238676096693,-0.2276782932770802,25.989672977624785,25.50675675675676
564,<polymer_spg>[*:1]CC([*:2])OCC1CCCCC1;2->1,0.7701152947871016,,-0.3372421683184259,,12.804347826086955
440,<polymer_spg>[*:1]c1ccc(-c2ccc(N3C(=O)c4ccc([Si](C)(C)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,,,-0.9625735020593764,,
108,<polymer_spg>[*:1]c1ccc(Sc2ccc(Sc3ccc(Sc4ccc(Sc5ccc(N6C(=O)c7ccc(C(c8ccc9c(c8)C(=O)N([*:2])C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)cc3)cc2)cc1;2->1,0.8208579894396999,-0.585026652029182,-0.5376020021010439,25.46153846153846,22.827586206896555
442,<polymer_spg>[*:1]c1ccc(-c2ccc(N3C(=O)c4ccc([Si](C)(C)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c(OC)c2)cc1OC;2->1,,,-1.0177287669604316,,
866,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cc(F)cc(F)c1;2->1,3.963787827345555,3.6232492903979,3.230448921378274,2.1904761904761907,5.411764705882353
615,<polymer_spg>[*:1]C(F)(F)C(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1([*:2])F;2->1,3.342422680822206,2.591064607026499,2.681241237375587,5.641025641025641,4.583333333333333
18,<polymer_spg>[*:1]c1cc(C)c(C)c(N2C(=O)c3ccc(Oc4ccc(C)cc4Oc4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c1C;2->1,1.3424226808222062,-0.2441251443275086,-0.1870866433571444,38.59649122807018,33.84615384615385
520,<polymer_spg>[*:1]OC(=O)Oc1ccc(C(C)(c2ccccc2)c2ccc([*:2])cc2)cc1;2->1,0.9768083373380664,-0.3777859770337047,-0.4424927980943421,22.62529832935561,26.260387811634352
264,<polymer_spg>[*:1]Oc1ccc(Oc2ccc3c(c2)-c2nc4c(Oc5ccc6nc7n(c6c5)C(=O)c5cc([*:2])ccc5-7)cccc4n2C3=O)cc1;2->1,,,-1.4436974992327127,,
2,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4cc(Oc5ccc(C)cc5)c(-c5cc6c(cc5Oc5ccc(C)cc5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,1.6434526764861874,0.1613680022349748,0.0969100130080564,30.344827586206897,35.2
384,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(Oc3c(F)c(F)c(COC(c4cccc(C(OCc5c(F)c(F)c([*:2])c(F)c5F)(C(F)(F)F)C(F)(F)F)c4)(C(F)(F)F)C(F)(F)F)c(F)c3F)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.0791812460476249,-0.2596373105057561,-0.0457574905606751,21.818181818181817,13.333333333333332
311,<polymer_spg>[*:1]c1ccc(Oc2ccc(-c3ccc(-c4ccc(-c5ccc(Oc6ccc(N7C(=O)c8ccc(C(c9ccc%10c(c9)C(=O)N([*:2])C%10=O)(C(F)(F)F)C(F)(F)F)cc8C7=O)cc6)c(C(F)(F)F)c5)cc4)cc3)cc2C(F)(F)F)cc1;2->1,1.563599728881531,0.1789769472931694,0.4927603890268375,24.24503311258278,11.77170418006431
427,<polymer_spg>[*:1]CC([*:2])Cl;2->1,-0.6020599913279624,,-2.0,,25.0
608,<polymer_spg>[*:1]N=P([*:2])(OCC(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F;2->1,2.5268559871258747,,1.4068806700491248,,13.181818181818182
698,<polymer_spg>[*:1]CC=C(C)C[*:2];2->1,2.187520720836463,1.481442628502305,0.9768083373380664,5.082508250825082,16.244725738396625
471,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(Sc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,,,-1.6777807052660807,,
268,<polymer_spg>[*:1]Oc1cc(C)c(C(c2cc(C(C)C)c(Oc3ccc(C(=O)c4ccc([*:2])cc4)cc3)cc2C)c2ccccc2C(=O)O)cc1C(C)C;2->1,1.3579348470004535,0.1303337684950061,0.0718820073061253,16.88888888888889,19.322033898305087
403,<polymer_spg>[*:1]c1cc(C)c(Oc2cc(C)c([*:2])c(C)c2)c(C)c1C(=O)c1ccc(C)cc1;2->1,1.3304137733491908,0.173186268412274,0.3838153659804312,14.362416107382549,8.84297520661157
789,<polymer_spg>[*:1]CC(O)CO[*:2];2->1,-1.9211808169011515,,,,
718,<polymer_spg>[*:1]c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc2cccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c2)c1;2->1,0.561101383649056,-1.0457574905606752,-0.6989700043360187,40.44444444444445,18.2
553,<polymer_spg>[*:1]C(C(=O)OC(C)C)C([*:2])C(=O)OC(C)CC;2->1,,,0.6989700043360189,,
831,<polymer_spg>[*:1]C(=C([*:2])c1ccccc1)c1ccccc1;2->1,3.9542425094393248,3.568201724066995,3.6720978579357175,2.4324324324324325,1.9148936170212767
757,<polymer_spg>[*:1]Cc1ccc(C[*:2])cc1;2->1,0.1105897102992489,,-1.3334820194451191,,27.80172413793104
646,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(S(=O)(=O)c5ccc([*:2])cc5)cc4)c(C)c3)OC(=O)c3ccccc32)cc1C;2->1,0.4941545940184428,-1.138465589140962,-0.958607314841775,42.91609353507565,28.363636363636363
474,<polymer_spg>[*:1]Oc1c(C)cc(C(C)(C)c2cc(C)c(Oc3ccc(C(=O)c4ccc([*:2])cc4)cc3)c(C)c2)cc1C;2->1,1.3010299956639813,0.041392685158225,0.041392685158225,18.18181818181818,18.18181818181818
231,<polymer_spg>[*:1]Oc1ccc(-c2ccc(-c3ccc(Oc4ccc(C5(c6ccc([*:2])cc6)c6ccccc6-c6ccccc65)cc4)c(C(F)(F)F)c3)s2)cc1C(F)(F)F;2->1,1.4116197059632305,0.2013971243204515,0.3138672203691534,16.22641509433962,12.524271844660197
827,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)c1ccccc1;2->1,1.575187844927661,0.2304489213782739,0.0791812460476248,22.117647058823533,31.333333333333336
688,<polymer_spg>[*:1]CC([*:2])CC(C)C;2->1,1.9666109866819343,,,,
1026,<polymer_spg>[*:1]c1c(C)cc2c(c1C)CN1CN2Cc2c1cc(C)c(N1C(=O)c3cc4c(cc3C1=O)C1(CC(C)(C)c3cc5c(cc31)C(=O)N([*:2])C5=O)CC4(C)C)c2C;2->1,3.710963118995276,2.7715874808812555,2.5705429398818973,8.697123519458545,13.817204301075268
725,<polymer_spg>[*:1]Nc1ccc(C(c2ccc(NC(=O)c3ccc4c(c3)C(C)(C)CC4(C)c3ccc(C([*:2])=O)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.5477747053878226,-0.0409586076789063,0.1335389083702175,38.79120879120879,25.95588235294117
458,<polymer_spg>[*:1]c1cc(C)c(C)c(N2C(=O)c3ccc(Oc4cc(C(C)(C)C)ccc4Oc4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c1C;2->1,1.7993405494535817,0.3979400086720376,0.3424226808222063,25.2,28.63636363636364
576,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc5c(c4)C(C)(C4CCCCC4)CC5(c4ccc(C(=O)c5ccc([*:2])cc5)cc4)C4CCCCC4)cc3)cc2)cc1;2->1,0.9712758487381052,,-0.4814860601221125,,28.36363636363636
967,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C;2->1,4.474216264076255,4.146128035678238,3.6989700043360174,2.128571428571429,5.96
255,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc(Oc6ccc7c(c6)C(=O)N([*:2])C7=O)cc5)cc4C3=O)cc2C)c(C)c1;2->1,0.1789769472931694,-1.679853713888946,-1.448550002027125,72.2488038277512,42.41573033707865
192,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,-0.2041199826559248,-1.9625735020593764,-1.6270879970298937,57.3394495412844,26.483050847457623
604,<polymer_spg>[*:1]N=P([*:2])(OCC(F)(F)F)OCC(F)(F)F;2->1,2.292920299600006,1.2929202996000062,1.16790781000148,10.000000000000002,13.335597826086955
399,<polymer_spg>[*:1]Oc1c(C)cc([*:2])cc1C;2->1,1.6919651027673603,0.4281347940287888,0.4166405073382809,18.35820895522388,18.85057471264368
101,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)n1c-2nc2ccc(Oc3cccc4c3nc3n4C(=O)c4ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc4-3)cc21;2->1,,,-0.0915149811213502,,