| Unnamed: 0,POLYMER SMILES,log CO2 (barrer),log CH4 (barrer),log N2 (barrer),CO2_CH4,CO2_N2 |
| 987,<polymer_spg>[*:1]c1cc(C(c2ccc(O)c(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O;2->1,1.1238516409670858,-0.7670038896078462,-0.1549019599857432,77.77777777777777,19.000000000000004 |
| 485,<polymer_spg>[*:1]c1c(C)c(C)c(N2C(=O)c3ccc(Oc4cc(C)c(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)c(C)c4C)cc3C2=O)c(C)c1C;2->1,2.3010299956639813,0.8808135922807914,0.9084850188786496,26.31578947368421,24.69135802469136 |
| 54,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)c1cc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)ccc1-2;2->1,0.885361220031512,-0.889410289700751,-0.4698003017969178,59.53488372093023,22.654867256637164 |
| 34,<polymer_spg>[*:1]c1cccc(Oc2ccc(C(c3ccc(Oc4cccc(N5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N([*:2])C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1;2->1,0.7993405494535817,-0.8860566476931632,-0.6179829574251317,48.46153846153846,26.14107883817428 |
| 366,<polymer_spg>[*:1]c1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)cc2)cc1;2->1,-0.0665127121512945,-1.7375489102695705,-1.5917600346881504,46.885245901639344,33.515625 |
| 30,<polymer_spg>[*:1]c1cccc(Oc2cccc(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->1,0.3222192947339193,-1.494850021680094,-1.0,65.625,21.0 |
| 894,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)CCC2)c1ccc([Si](C)(C)C)cc1;2->1,3.3010299956639813,2.672097857935717,2.230448921378274,4.25531914893617,11.764705882352942 |
| 1019,<polymer_spg>[*:1]c1c(C)c2c(c(C)c1Br)N1Cc3c(C)c(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N([*:2])C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(Br)c(C)c3N(C2)C1;2->1,2.5575072019056577,1.2041199826559248,1.2787536009528289,22.5625,19.0 |
| 907,<polymer_spg>[*:1]C(=C([*:2])c1ccc(-c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1;2->1,2.9242792860618816,2.0791812460476247,1.662757831681574,7.0,18.26086956521739 |
| 531,<polymer_spg>[*:1]C=CC1CC([*:2])CC1[Si](C)(C)C[Si](C)(C)C;2->1,1.8260748027008264,0.9294189257142929,0.568201724066995,7.882352941176471,18.10810810810811 |
| 298,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(OC([*:2])=O)cc3)CCCCC2)cc1;2->1,0.3424226808222063,-1.0362121726544449,-0.978810700930062,23.91304347826087,20.95238095238096 |
| 703,<polymer_spg>[*:1]C(Cl)CCCC([*:2])S(=O)(=O)Cl;2->1,,,0.1072099696478683,, |
| 372,<polymer_spg>[*:1]C=CC1CCC([*:2])C1;2->1,1.187520720836463,0.3979400086720376,0.1760912590556812,6.16,10.266666666666667 |
| 283,<polymer_spg>[*:1]Oc1ccc2c(c1)-c1nc3c(Oc4ccc5nc6n(c5c4)C(=O)c4cc([*:2])ccc4-6)cccc3n1C2=O;2->1,,,-1.583359492661719,, |
| 958,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(C)CCC5(C)C4C=C5C(=O)N([*:2])C(=O)C5=CC43)c3ccccc23)c2ccccc12;2->1,3.509202522331103,2.1931245983544616,2.1172712956557644,20.705128205128204,24.65648854961832 |
| 548,<polymer_spg>[*:1]CC([*:2])[Si](C)(C)c1ccccc1;2->1,1.089905111439398,,-0.3467874862246563,,27.333333333333336 |
| 642,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.7403626894942439,-0.619788758288394,-0.6575773191777937,22.916666666666668,25.0 |
| 487,<polymer_spg>[*:1]Oc1c(C)cc(C(C)(C)c2cc(C)c(OC([*:2])=O)c(C)c2)cc1C;2->1,1.2695129442179165,-0.0506099933550872,0.041392685158225,20.898876404494384,16.90909090909091 |
| 760,<polymer_spg>[*:1]c1ccc(-c2nnc(-c3ccc(-c4nnc([*:2])n4-c4ccccc4)cc3)n2-c2ccccc2)cc1;2->1,0.7160033436347992,-1.0457574905606752,-0.8538719643217619,57.77777777777778,37.14285714285714 |
| 962,<polymer_spg>[*:1]c1c(C)c(C)c(N2C(=O)c3cc4c(cc3C2=O)C2(CC(C)(C)c3cc5c(cc32)C(=O)N([*:2])C5=O)CC4(C)C)c(C)c1C;2->1,3.3384564936046046,2.230448921378274,1.9731278535996983,12.823529411764708,23.19148936170213 |
| 253,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc(Oc6ccc7c(c6)C(=O)N([*:2])C7=O)cc5)cc4C3=O)c(C)c2)cc1C;2->1,0.220108088040055,-1.679853713888946,-1.4473317838878068,79.42583732057416,46.4985994397759 |
| 652,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)c(C)c2)cc1C;2->1,0.3222192947339193,-1.1511952989481962,-1.0390538042661686,29.74504249291785,22.975929978118163 |
| 870,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2)c1ccccc1;2->1,3.903089986991944,3.4771212547196626,3.041392685158225,2.6666666666666665,7.272727272727272 |
| 667,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)c(C(OC)(C(F)(F)F)C(F)(F)F)c2)cc1C(OC)(C(F)(F)F)C(F)(F)F;2->1,0.8864907251724818,,-0.585026652029182,,29.615384615384617 |
| 567,<polymer_spg>[*:1]CC([*:2])(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;2->1,2.113943352306837,1.146128035678238,1.1760912590556811,9.285714285714286,8.666666666666666 |
| 557,<polymer_spg>[*:1]C(C(=O)OC(C)CC)C([*:2])C(=O)OC(C)(C)C;2->1,,,1.1139433523068367,, |
| 1038,<polymer_spg>[*:1]c1ccc2c(c1)C1c3cc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N([*:2])C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)ccc3C2c2cc3ccccc3cc21;2->1,2.322219294733919,0.8512583487190752,0.9542425094393248,29.5774647887324,23.33333333333333 |
| 230,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(C(c%10ccc%11c(c%10)C(=O)N([*:2])C%11=O)(C(F)(F)F)C(F)(F)F)cc9C8=O)cc7)cc6C(F)(F)F)cc5)c5ccccc5-c5ccccc54)cc3)c(C(F)(F)F)c2)cc1;2->1,1.725012725341157,0.1271047983648076,0.3138672203691534,39.61940298507463,25.771844660194176 |
| 671,<polymer_spg>[*:1]Oc1c(C)cc(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)(C(F)(F)F)C(F)(F)F)cc1C;2->1,1.9084850188786493,,0.7723217067229198,,13.682432432432432 |
| 190,<polymer_spg>[*:1]c1c(C)cc(C)c(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c1C;2->1,1.4899584794248346,0.0969100130080564,0.1903316981702915,24.72,19.93548387096774 |
| 413,<polymer_spg>[*:1]Oc1ccc(C(C)(c2ccccc2)c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.9095560292411752,-0.494850021680094,-0.5559552040819237,25.375,29.208633093525176 |
| 420,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(Sc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,0.9800033715837464,,-0.6946486305533762,,47.27722772277228 |
| 991,<polymer_spg>[*:1]c1cccc(Oc2cccc(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->1,1.285557309007774,-0.4559319556497244,-0.2006594505464183,55.142857142857146,30.63492063492064 |
| 883,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C)c1ccccc1;2->1,4.545307116465824,4.383815365980431,4.0,1.4504132231404958,3.51 |
| 145,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1;2->1,0.6954816764901974,-0.8386319977650252,-0.6108339156354675,34.20689655172414,20.244897959183675 |
| 386,<polymer_spg>[*:1]Oc1ccc(N2CCC3(CCC(=O)N3c3ccc(Oc4c(F)c(F)c(COC(c5cccc(C(OCc6c(F)c(F)c([*:2])c(F)c6F)(C(F)(F)F)C(F)(F)F)c5)(C(F)(F)F)C(F)(F)F)c(F)c4F)cc3)C2=O)cc1;2->1,0.8512583487190752,-0.6020599913279624,-0.3372421683184259,28.4,15.43478260869565 |
| 925,<polymer_spg>[*:1]C(=C([*:2])c1ccc(C(C)(C)C)cc1)c1ccccc1;2->1,3.9731278535996974,,3.1760912590556813,,6.266666666666667 |
| 352,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-n5c(=O)c6cc7c(=O)n([*:2])c(=O)c7cc6c5=O)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1;2->1,1.390935107103379,-0.0282604091122217,0.1760912590556812,26.25400213447172,16.400000000000002 |
| 1050,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(C)CCC7(C)c4cc5oc6cc7c(=O)n([*:2])c(=O)c7cc6oc5cc43)c3ccccc23)c2ccccc12;2->1,3.2523675144598987,1.968482948553935,1.893206753059848,19.225806451612904,22.86445012787724 |
| 953,<polymer_spg>[*:1]C1C([*:2])C2CC1C1CC([Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C21;2->1,3.60422605308447,3.096910013008056,2.6232492903979003,3.216,9.571428571428571 |
| 655,<polymer_spg>[*:1]Oc1c(C)cc(C(c2cc(C)c(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C;2->1,1.8573324964312683,0.4771212547196624,0.6020599913279624,24.0,18.0 |
| 873,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C1(CC1)c1ccccc1-2)c1ccc([Si](C)(C)C)cc1;2->1,3.612783856719736,3.1760912590556813,2.7323937598229686,2.7333333333333334,7.592592592592593 |
| 144,<polymer_spg>[*:1]c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6C5=O)cc4)cc3)cc2)cc1;2->1,0.0969100130080564,-1.515700160653214,-1.4067139329795428,40.98360655737705,31.887755102040817 |
| 805,<polymer_spg>[*:1]c1nc2cc(C(c3ccc4oc([*:2])nc4c3)(C(F)(F)F)C(F)(F)F)ccc2o1;2->1,3.73559889969818,2.161368002234975,2.3710678622717363,37.51724137931034,23.148936170212767 |
| 397,<polymer_spg>[*:1]Oc1c(C)cc([*:2])cc1C;2->1,1.4313637641589874,0.4313637641589873,0.414973347970818,10.0,10.384615384615383 |
| 252,<polymer_spg>[*:1]c1cc(C(=O)O)cc(N2C(=O)c3ccc(Oc4ccc(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4)cc3C2=O)c1;2->1,-0.1655792963184674,,-1.8239087409443189,,45.53333333333334 |
| 700,<polymer_spg>[*:1]CC=C(C[*:2])[Si](C)(OC(C)C)OC(C)C;2->1,2.537819095073274,1.8007170782823851,1.404833716619938,5.45886075949367,13.582677165354331 |
| 215,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)c(C)c2)cc1C;2->1,0.3979400086720376,-1.3565473235138126,-1.1191864077192086,56.81818181818182,32.89473684210527 |
| 678,<polymer_spg>[*:1]CC[*:2];2->1,-0.4436974992327127,-0.4089353929735008,-0.8569851997459049,0.923076923076923,2.5899280575539567 |
| 790,<polymer_spg>[*:1]CC[Si](C)(C)CC[Si](C)(C)c1ccc([Si]([*:2])(C)C)cc1;2->1,0.6031443726201823,-0.2757241303992109,-0.5900668766687055,7.566037735849056,15.603112840466926 |
| 992,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC([*:2])=O)cc2)cc1;2->1,0.8129133566428556,-0.5528419686577808,-0.5528419686577808,23.21428571428571,23.21428571428571 |
| 425,<polymer_spg>[*:1]CC([*:2])Cl;2->1,-1.0915149811213505,,-2.275724130399211,,15.283018867924527 |
| 830,<polymer_spg>[*:1]C(C)=C([*:2])c1ccccc1;2->1,1.9474337218870508,0.7160033436347992,0.5440680443502757,17.038461538461537,25.31428571428572 |
| 1043,<polymer_spg>[*:1]c1ccc(Oc2c3c(c(ON4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N([*:2])C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c4c2C2c5ccccc5C4c4ccccc42)C2c4ccccc4C3c3ccccc32)cc1;2->1,1.863322860120456,0.3979400086720376,0.505149978319906,29.2,22.8125 |
| 154,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2Br)c(Br)c1;2->1,-0.5016894462103995,-2.2676062401770314,-1.987162775294828,58.33333333333333,30.58252427184466 |
| 261,<polymer_spg>[*:1]c1cccc(N2C(=O)c3ccc(Oc4ccc(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4)cc3C2=O)c1;2->1,-0.2232988160115891,,-1.7958800173440752,,37.375 |
| 422,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)C)cc1)c1ccccc1;2->1,3.690196080028514,3.204119982655925,2.7481880270062,3.0625,8.75 |
| 750,<polymer_spg>[*:1]Cc1ccc(C[*:2])c(Br)c1;2->1,-1.4436974992327127,,-3.214670164989233,,59.01639344262295 |
| 150,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6C5=O)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1;2->1,0.9614210940664484,-0.5543957967264024,-0.2494916051486538,32.795698924731184,16.252220248667854 |
| 1017,<polymer_spg>[*:1]c1cc2c(cc1Br)-c1ccccc1C21c2ccccc2-c2cc(Br)c(N3C(=O)c4cc5c(cc4C3=O)OC3C=C4C(=CC3O5)C(C)(C)CC43CC(C)(C)c4cc5oc6cc7c(=O)n([*:2])c(=O)c7cc6oc5cc43)cc21;2->1,3.127104798364808,2.008600171761917,1.8388490907372552,13.137254901960784,19.420289855072465 |
| 1045,<polymer_spg>[*:1]c1ccc(Oc2c3c(c(ON4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N([*:2])C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c4c2C2c5ccccc5C4c4ccccc42)C2c4ccccc4C3c3ccccc32)cc1C(F)(F)F;2->1,2.12057393120585,0.7403626894942439,0.8450980400142568,24.0,18.857142857142858 |
| 494,<polymer_spg>[*:1]N=C1C=CC(=Nc2ccc(Nc3ccc(Nc4ccc([*:2])cc4)cc3)cc2)C=C1;2->1,-0.112945621949043,,-2.0,,77.1 |
| 985,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(c4ccccc4-c4cc6c(cc43)C(=O)N([*:2])C6=O)c3ccccc3-5)c3ccccc23)c2ccccc12;2->1,2.846955325019824,1.6020599913279625,1.5185139398778875,17.575,21.303030303030305 |
| 113,<polymer_spg>[*:1]c1ccc(OC)c(Oc2ccc(N3C(=O)C4C5C=CC(C6C(=O)N([*:2])C(=O)C56)C4C3=O)cc2)c1;2->1,,,-0.619788758288394,, |
| 679,<polymer_spg>[*:1]CC[*:2];2->1,1.101403350555331,0.4623979978989561,-0.0114410431213844,4.355172413793104,12.967145790554415 |
| 37,<polymer_spg>[*:1]c1cccc(C(c2cccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)c1;2->1,0.7075701760979364,-1.0969100130080565,-0.583359492661719,63.74999999999999,19.54022988505747 |
| 1002,<polymer_spg>[*:1]CC([*:2])C(=O)OCCCCCCCCCCCCCCCCCC;2->1,2.631443769013172,1.958085848521085,1.4638929889859074,4.713656387665198,14.707903780068728 |
| 158,<polymer_spg>[*:1]c1cc2c(cc1C)-c1cc(C)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc1S2(=O)=O;2->1,0.437750562820388,-1.431798275933005,-1.1174754620451195,74.05405405405406,35.91087811271297 |
| 40,<polymer_spg>[*:1]c1ccc(C(c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.845098040014257,0.2833012287035495,0.5078558716958309,36.458333333333336,21.73913043478261 |
| 743,<polymer_spg>[*:1]Nc1ccc(C2(c3ccc(NC(=O)c4cc(C([*:2])=O)cc(C(C)(C)C)c4)cc3)c3ccccc3-c3ccccc32)cc1;2->1,1.5763413502057928,0.1889284837608534,0.1473671077937864,24.40129449838188,26.85185185185185 |
| 367,<polymer_spg>[*:1]c1c(C)cc(Cc2cc(C)c(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)c(C)c2)cc1C;2->1,1.989449817666692,0.9143431571194408,0.850033257689769,11.88794153471376,13.785310734463277 |
| 995,<polymer_spg>[*:1]CC(O)COc1ccc(C(C)(C)c2ccc(O[*:2])cc2)cc1;2->1,-0.3979400086720376,-1.6989700043360187,-1.8239087409443189,20.0,26.666666666666668 |
| 707,<polymer_spg>[*:1]C=CCCC[*:2];2->1,3.3010299956639813,2.633468455579586,2.0,4.651162790697675,20.0 |
| 435,<polymer_spg>[*:1]Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)N(c3cccc(N5C(=O)c6ccc([*:2])cc6C5=O)c3)C4=O)cc21;2->1,0.6532125137753437,-0.8096683018297085,-0.7055337738384071,29.032258064516128,22.84263959390863 |
| 236,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N([*:2])C%11=O)cc9C8=O)cc7)cc6C(F)(F)F)cc5)c5ccccc5-c5ccccc54)cc3)c(C(F)(F)F)c2)cc1;2->1,1.413467412985825,0.0170333392987803,0.0863598306747482,24.913461538461537,21.237704918032787 |
| 876,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)CCCCCCCC)cc1)c1ccc(C(C)(C)C)cc1;2->1,2.0,,0.8750612633917001,,13.333333333333334 |
| 351,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-n5c(=O)c6cc7c(=O)n([*:2])c(=O)c7cc6c5=O)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1;2->1,1.390935107103379,-0.0282604091122217,0.1760912590556812,26.25400213447172,16.400000000000002 |
| 833,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C;2->1,4.2552725051033065,3.6232492903979,3.3010299956639813,4.285714285714286,9.0 |
| 695,<polymer_spg>[*:1]CC=CC[*:2];2->1,,,1.3996737214810382,, |
| 582,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OCCCC([*:2])O)cc2)cc1;2->1,-0.3010299956639812,-1.6989700043360187,-1.7212463990471711,25.0,26.31578947368421 |
| 585,<polymer_spg>[*:1]OC1OC(COC(C)=O)C([*:2])C(O)C1OC(C)=O;2->1,0.7752462597402364,-0.6882461389442457,-0.6363880201078557,29.07317073170732,25.8008658008658 |
| 395,<polymer_spg>[*:1]Oc1c(C)cc([*:2])cc1C;2->1,1.954242509439325,0.7323937598229685,0.568201724066995,16.666666666666664,24.324324324324323 |
| 664,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.7403626894942439,-0.619788758288394,-0.6575773191777937,22.916666666666668,25.0 |
| 62,<polymer_spg>[*:1]c1ccc(-c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(O)c2)cc1O;2->1,0.6857417386022636,-1.250263684430939,-0.7746907182741372,86.29893238434163,28.869047619047617 |
| 79,<polymer_spg>[*:1]c1ccc(Oc2cccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c2)cc1;2->1,0.7860412102425542,-0.9030899869919436,-0.5867002359187482,48.88,23.590733590733592 |
| 299,<polymer_spg>[*:1]CC([*:2])C(=O)OCCCCCCCCCC;2->1,2.416640507338281,1.6794278966121188,1.2787536009528289,5.460251046025105,13.736842105263158 |
| 193,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,,,-1.9208187539523751,, |
| 434,<polymer_spg>[*:1]Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)N(c3cccc(N5C(=O)c6ccc([*:2])cc6C5=O)c3)C4=O)cc21;2->1,0.6532125137753437,-0.8096683018297085,-0.7055337738384071,29.032258064516128,22.84263959390863 |
| 181,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C(=O)c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1;2->1,0.6404814369704218,-0.978810700930062,-0.7099653886374819,41.61904761904762,22.41025641025641 |
| 818,<polymer_spg>[*:1]c1ccc(C(c2ccc(-c3nc4ccc(C(c5ccc6oc([*:2])nc6c5)(C(F)(F)F)C(F)(F)F)cc4o3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,2.0484418035504044,0.380211241711606,0.7160033436347992,46.583333333333336,21.5 |
| 412,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.7481880270062004,-0.6020599913279624,-0.6020599913279624,22.4,22.4 |
| 9,<polymer_spg>[*:1]Oc1ccc(C(=O)c2ccccc2-c2ccccc2C(=O)c2ccc(Oc3ccc(C4(c5ccc([*:2])cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1;2->1,0.380211241711606,-1.1079053973095196,-1.011887159731648,30.769230769230766,24.66598150051388 |
| 899,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C1(CC1)c1ccccc1-2)c1ccc([Si](C)(C)C)cc1;2->1,3.612783856719736,3.1760912590556813,2.7323937598229686,2.7333333333333334,7.592592592592593 |
| 855,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(ccc3ccccc32)c1)c1ccccc1;2->1,3.724275869600789,3.161368002234975,2.812913356642856,3.655172413793104,8.153846153846153 |
| 729,<polymer_spg>[*:1]Nc1c(C)cc(C(C)(C)c2cc(C)c(NC(=O)c3ccc(Oc4cc(C(C)(C)C)c(Oc5ccc(C([*:2])=O)cc5)cc4C(C)(C)C)cc3)c(C)c2)cc1C;2->1,1.6334684555795864,0.3502480183341628,0.2380461031287954,19.19642857142857,24.85549132947977 |
| 524,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC([*:2])=O)cc2)cc1;2->1,0.8325089127062363,-0.4461169733561256,-0.4775557664936801,18.99441340782123,20.42042042042042 |
| 980,<polymer_spg>[*:1]CC([*:2])[Si](C)(C)C;2->1,2.278753600952829,1.255272505103306,1.0413926851582251,10.555555555555555,17.272727272727273 |
| 262,<polymer_spg>[*:1]c1c(C)cc(C)c(N2C(=O)c3ccc(Oc4ccc(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4)cc3C2=O)c1C;2->1,,,-0.1354889189416081,, |
| 6,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(C(C)(C)c5ccc(C(=O)c6ccc([*:2])cc6)cc5)cc4)cc3)cc2)cc1;2->1,0.6627578316815741,-0.638272163982407,-0.6777807052660807,20.0,21.904761904761905 |
| 266,<polymer_spg>[*:1]c1cc(C)c(Cc2cc(C)c(N3C(=O)c4ccc(Oc5ccc(Oc6ccc7c(c6)C(=O)N([*:2])C7=O)cc5)cc4C3=O)cc2C)cc1C;2->1,0.3579348470004537,-1.3990271043132518,-1.197910742118267,57.14285714285714,35.96214511041009 |
| 1027,<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->1,3.39375064034808,,2.1818435879447726,,16.289473684210527 |
| 38,<polymer_spg>[*:1]c1cccc(C(c2cccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)c1;2->1,0.7075701760979364,-1.0969100130080565,-0.583359492661719,63.74999999999999,19.54022988505747 |
| 1041,<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)cc1;2->1,1.1583624920952498,-0.431798275933005,-0.1804560644581313,38.91891891891892,21.818181818181817 |
| 800,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)n1c-2nc2cc(-c3ccc4c(c3)nc3n4C(=O)c4cc(C([*:2])(C(F)(F)F)C(F)(F)F)ccc4-3)ccc21;2->1,2.4683473304121573,0.9084850188786496,1.1139433523068367,36.2962962962963,22.615384615384617 |
| 822,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)CC;2->1,3.662757831681574,3.0791812460476247,2.690196080028514,3.8333333333333335,9.387755102040815 |
| 271,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc7c8c(ccc(c68)C5=O)C(=O)N([*:2])C7=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1;2->1,1.3222192947339193,-0.3187587626244128,-0.1426675035687315,43.75,29.166666666666668 |
| 140,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N([*:2])C8=O)cc6)cc5)cc4C3=O)cc2)cc1;2->1,,,-1.0757207139381184,, |
| 580,<polymer_spg>[*:1]Oc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc5c(c4)C(C)(C4CCCCC4)CC5(c4ccc(C(=O)c5ccc([*:2])cc5)cc4)C4CCCCC4)cc3)cc2)cc1;2->1,0.6989700043360189,,-0.7958800173440752,,31.25 |
| 194,<polymer_spg>[*:1]c1cc(C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c1;2->1,1.0043213737826426,-0.5376020021010439,-0.3187587626244128,34.827586206896555,21.041666666666668 |
| 966,<polymer_spg>[*:1]c1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(N3C(=O)c4cc5c(cc4C3=O)C3(CC(C)(C)c4cc6c(cc43)C(=O)N([*:2])C6=O)CC5(C)C)cc21;2->1,3.1826999033360424,2.110589710299249,1.812913356642856,11.806201550387597,23.43076923076923 |
| 614,<polymer_spg>[*:1]C(F)(F)C(F)(F)C(F)(OC(F)(F)F)C([*:2])(F)F;2->1,,,0.1760912590556812,, |
| 1074,<polymer_spg>[*:1]c1ccc(C(c2ccc(C3=NC4C=C(c5ccc6nc([*:2])oc6c5)C=CC4O3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.5477747053878226,-0.1135092748275181,,45.84415584415584, |
| 523,<polymer_spg>[*:1]OC(=O)OC1C(C)(C)C([*:2])C1(C)C;2->1,1.7387805584843692,0.6127838567197355,0.414973347970818,13.365853658536588,21.07692307692308 |
| 380,<polymer_spg>[*:1]C1C([*:2])C2CC1C1CC([Si](C)(C)C)C21;2->1,3.724275869600789,3.004321373782642,2.591064607026499,5.247524752475248,13.58974358974359 |
| 905,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccccc1;2->1,3.531478917042255,2.9731278535996988,2.6232492903979003,3.617021276595745,8.095238095238095 |
| 50,<polymer_spg>[*:1]c1ccc2[nH]c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N([*:2])C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3c2c1;2->1,1.2329961103921538,-0.518557371497695,-0.1402614338028531,56.43564356435644,23.618784530386744 |
| 162,<polymer_spg>[*:1]c1ccc(-c2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c(O)c2)cc1O;2->1,-1.5044556624535514,-3.3872161432802645,-3.0,76.34146341463415,31.3 |
| 529,<polymer_spg>[*:1]Oc1c(Br)cc(C(c2cc(Br)c(OC([*:2])=O)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br;2->1,1.505149978319906,-0.0510982390297863,0.255272505103306,35.9955005624297,17.77777777777778 |
| 759,<polymer_spg>[*:1]Cc1ccc(C[*:2])c(Cl)c1;2->1,-0.7986028756795485,,-1.9625735020593764,,14.587155963302752 |
| 452,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4cc5c(cc4C3=O)S(=O)(=O)c3cc4c(cc3S5(=O)=O)C(=O)N([*:2])C4=O)cc2)cc1;2->1,0.9822712330395684,-0.744727494896694,-0.5686362358410126,53.333333333333336,35.55555555555555 |
| 989,<polymer_spg>[*:1]c1ccc(-c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(OC(C)=O)c2)cc1OC(C)=O;2->1,1.0791812460476249,-0.5044556624535516,-0.2518119729937995,38.33865814696485,21.428571428571427 |
| 310,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc4c(c3)C3(CC4(C)C)CC(C)(C)c4ccc(Oc5ccc(-c6ccc(N7C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N([*:2])C%10=O)cc8C7=O)cc6)cc5C(F)(F)F)cc43)c(C(F)(F)F)c2)cc1;2->1,1.3548764225162335,-0.3872161432802645,0.0492180226701816,55.21951219512196,20.21428571428571 |
| 457,<polymer_spg>[*:1]c1ccc(-c2ccc(N3C(=O)c4ccc(Oc5cc(C(C)(C)C)ccc5Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c(OC)c2)cc1OC;2->1,0.8260748027008264,-0.7958800173440752,-0.6777807052660807,41.875,31.904761904761905 |
| 877,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)CCCCCCCC)cc1)c1ccc(CCCC)cc1;2->1,2.041392685158225,,0.8976270912904415,,13.924050632911392 |
| 172,<polymer_spg>[*:1]c1c(C)cc(C)c(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c1C;2->1,2.2600713879850747,0.9030899869919436,0.8750612633917001,22.75,24.266666666666666 |
| 815,<polymer_spg>[*:1]c1ccc(C(c2ccc(-c3nc4ccc(-c5ccc6nc([*:2])oc6c5)cc4o3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.5477747053878226,-0.1135092748275181,0.2095150145426309,45.84415584415584,21.79012345679012 |
| 1072,<polymer_spg>[*:1]c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc21;2->1,2.2600713879850747,0.8061799739838872,0.8920946026904804,28.4375,23.33333333333333 |
| 1023,<polymer_spg>[*:1]c1c(C)cc2c(c1C)CN1CN2Cc2c1cc(C)c(N1C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C1=O)c2C;2->1,3.0034605321095067,1.7781512503836436,1.792391689498254,16.8,16.258064516129032 |
| 643,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(S(=O)(=O)c5ccc([*:2])cc5)cc4)cc3)OC(=O)c3ccccc32)cc1;2->1,0.8129133566428556,-0.5482135644757098,-0.6020599913279624,22.96819787985866,26.0 |
| 1009,<polymer_spg>[*:1]CCOC(=O)c1ccc2cc(C(=C)O[*:2])ccc2c1;2->1,-1.6575773191777938,,,, |
| 1063,<polymer_spg>[*:1]c1cc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)ccc1O;2->1,1.0413926851582251,-0.958607314841775,-0.3665315444204134,100.0,25.58139534883721 |
| 39,<polymer_spg>[*:1]c1ccc(C(c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.806179973983887,0.2041199826559248,0.5314789170422551,40.0,18.823529411764707 |
| 620,<polymer_spg>[*:1]O[Si]([*:2])(C)CCC;2->1,,,2.2600713879850747,, |
| 794,<polymer_spg>[*:1]CCC[Si]([*:2])(C)C;2->1,,0.9242792860618816,0.4771212547196624,, |
| 156,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2Cl)c(Cl)c1;2->1,-0.4749551929631547,-2.2596373105057563,-1.9706162223147905,60.909090909090914,31.308411214953274 |
| 222,<polymer_spg>[*:1]Oc1c(C)cc(C2(c3ccc(Oc4ccc(S(=O)(=O)c5ccc([*:2])cc5)cc4)cc3)CCCCC2)cc1C;2->1,0.146128035678238,-1.3872161432802643,-1.2441251443275083,34.14634146341463,24.561403508771928 |
| 711,<polymer_spg>[*:1]NC(=O)c1ccc2c(c1)C(=O)N(c1cccc([*:2])c1)C2=O;2->1,-0.6925039620867871,,-2.2006594505464183,,32.22222222222222 |
| 210,<polymer_spg>[*:1]Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)c3cccc(C([*:2])=O)c3)c(Br)c2)cc1Br;2->1,0.7363965022766424,-0.8210230527068306,-0.6595558851598816,36.09271523178808,24.88584474885845 |
| 506,<polymer_spg>[*:1]C1=CCC([*:2])=[NH+]1;O=[N+]([O-])[O-];2->1,0.450249108319361,-0.769551078621726,-0.7958800173440752,16.588235294117645,17.625 |
| 306,<polymer_spg>[*:1]Oc1ccc(C(=O)c2ccc(Oc3ccc([*:2])cc3)cc2)cc1;2->1,-0.0163737128754655,-1.5072396109731625,-1.400116927926312,30.964630225080384,24.195979899497484 |
| 828,<polymer_spg>[*:1]C(C)=C([*:2])c1ccc([Si](C)(C)C)cc1;2->1,2.977723605288848,2.3010299956639813,2.0,4.75,9.5 |
| 1053,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(C)CCC7(C)c4cc5oc6cc7c(=O)n([*:2])c(=O)c7cc6oc5cc43)c3ccccc23)c2ccccc12;2->1,3.81424759573192,2.578639209968072,2.505149978319906,17.203166226912927,20.375 |
| 772,<polymer_spg>[*:1]Oc1ccc2nc(-c3ccccc3)c(-c3ccc(-c4nc5cc([*:2])ccc5nc4-c4ccccc4)cc3)nc2c1;2->1,,,-0.4634415574284699,, |
| 167,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,0.0791812460476248,-1.585026652029182,-1.408935392973501,46.15384615384615,30.769230769230766 |
| 641,<polymer_spg>[*:1]Oc1ccc2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2c1;2->1,0.255272505103306,-1.3010299956639813,-1.133712660915805,36.0,24.48979591836735 |
| 1029,<polymer_spg>[*:1]c1c(C)cc2c(c1C)CN1CN2Cc2c1cc(C)c(N1C(=O)c3cc4c(cc3C1=O)C1(c3ccccc3-c3cc5c(cc31)C(=O)N([*:2])C5=O)c1ccccc1-4)c2C;2->1,3.209783014848515,2.096910013008056,2.0253058652647704,12.968,15.29245283018868 |
| 418,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(S(=O)(=O)c5ccc([*:2])cc5)cc4)cc3)CCCCC2)cc1;2->1,0.404833716619938,-1.0,-0.958607314841775,25.4,23.09090909090909 |
| 10,<polymer_spg>[*:1]Oc1ccc(C(=O)c2cccc(-c3cccc(C(=O)c4ccc(Oc5ccc(C(c6ccc([*:2])cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)c3)c2)cc1;2->1,0.290034611362518,-1.2365720064370629,-1.1012748184105066,33.62068965517241,24.62121212121212 |
| 105,<polymer_spg>[*:1]c1ccc(Sc2ccc(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->1,1.3637999454791092,-0.1804560644581313,-0.0604807473813814,35.01515151515152,26.5632183908046 |
| 68,<polymer_spg>[*:1]c1ccc(Cc2ccc(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->1,1.2787536009528289,-0.3767507096020995,-0.0915149811213502,45.23809523809524,23.456790123456788 |
| 90,<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->1,1.3617278360175928,-0.4202164033831898,-0.0783135245163979,60.526315789473685,27.54491017964072 |
| 682,<polymer_spg>[*:1]CC[*:2];2->1,,,-0.7328282715969862,, |
| 766,<polymer_spg>[*:1]c1ccc(-c2ccc(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(CC(C)(C)c4cc5oc6cc8c(=O)n([*:2])c(=O)c8cc6oc5cc43)CC7(C)C)cc2C(F)(F)F)c(C(F)(F)F)c1;2->1,2.6232492903979003,1.3010299956639813,1.2041199826559248,21.0,26.25 |
| 233,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(Oc%10ccc(C(C)(C)c%11ccc(Oc%12ccc%13c(c%12)C(=O)N([*:2])C%13=O)cc%11)cc%10)cc9C8=O)cc7)cc6C(F)(F)F)cc5)c5ccccc5-c5ccccc54)cc3)c(C(F)(F)F)c2)cc1;2->1,1.3525683861793083,0.0043213737826425,0.0755469613925307,22.297029702970296,18.92436974789916 |
| 364,<polymer_spg>[*:1]c1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)cc2)cc1;2->1,,,-1.2291479883578558,, |
| 258,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc(Oc6ccc7c(c6)C(=O)N([*:2])C7=O)cc5)cc4C3=O)cc2)cc1;2->1,0.0863598306747482,-1.6536470255493614,-1.449771646944906,54.95495495495495,34.36619718309859 |
| 626,<polymer_spg>[*:1]O[Si](C)(C)CC[Si]([*:2])(C)C;2->1,,,2.2695129442179165,, |
| 496,<polymer_spg>[*:1]N=C1C=CC(=Nc2ccc(Nc3ccc(Nc4ccc([*:2])cc4)cc3)cc2)C=C1;2->1,-1.1191864077192086,,-2.229147988357856,,12.88135593220339 |
| 304,<polymer_spg>[*:1]N=P(N=P([*:2])(Cl)Oc1cc(C(C)C)cc(C(C)C)c1)(Oc1cc(C(C)C)cc(C(C)C)c1)Oc1cc(C(C)C)cc(C(C)C)c1;2->1,1.4313637641589874,0.6989700043360189,0.4771212547196624,5.4,9.0 |
| 903,<polymer_spg>[*:1]C(=C([*:2])c1ccc(-c2ccccc2)cc1)c1ccccc1;2->1,3.113943352306837,2.230448921378274,1.812913356642856,7.647058823529412,20.0 |
| 738,<polymer_spg>[*:1]Nc1ccc(C(=O)c2ccc(NC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)cc2)cc1;2->1,0.6954816764901974,,-0.638272163982407,,21.565217391304348 |
| 1037,<polymer_spg>[*:1]c1ccc2c(c1)C1c3ccccc3C2c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc21;2->1,2.008600171761917,0.4313637641589873,0.6020599913279624,37.77777777777778,25.5 |
| 42,<polymer_spg>[*:1]c1ccc(C(c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.8055008581584,0.2041199826559248,0.5403294747908738,39.9375,18.41498559077809 |
| 208,<polymer_spg>[*:1]C(=O)c1ccc(C2(c3ccc(C(=O)c4ccc(Oc5ccc(C(=O)c6ccc(C(=O)c7ccc(Oc8ccc([*:2])cc8)cc7)cc6)cc5)cc4)cc3)OC(=O)c3ccccc32)cc1;2->1,0.3304137733491908,-1.1611509092627446,-1.1372724716820253,31.014492753623188,29.355281207133057 |
| 20,<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)c1C;2->1,1.5314789170422551,,0.2624510897304294,,18.5792349726776 |
| 1075,<polymer_spg>[*:1]c1ccc(C(c2ccc(C3=NC4C=C(c5ccc6nc([*:2])oc6c5)C=CC4O3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,2.204119982655925,0.7481880270062004,,28.571428571428573, |
| 971,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(C)c4ccccc4C5(C)c4cc5c(cc43)C(=O)N([*:2])C5=O)c3ccccc23)c2ccccc12;2->1,3.568201724066995,2.3344537511509307,2.2600713879850747,17.12962962962963,20.32967032967033 |
| 1013,<polymer_spg>[*:1]c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)cc21;2->1,2.294466226161593,0.9590413923210936,0.9294189257142929,21.64835164835165,23.176470588235293 |
| 961,<polymer_spg>[*:1]c1cccc2c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(CC(C)(C)c4cc5oc6cc8c(=O)n([*:2])c(=O)c8cc6oc5cc43)CC7(C)C)cccc12;2->1,2.7075701760979363,1.4313637641589874,1.2787536009528289,18.88888888888889,26.84210526315789 |
| 968,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C;2->1,3.8750612633917,3.0,2.903089986991944,7.5,9.375 |
| 285,<polymer_spg>[*:1]CC(C#N)(C#N)CC([*:2])OC(C)=O;2->1,,,-1.8601209135987635,, |
| 884,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccccc1;2->1,4.056904851336473,3.8195439355418688,3.431363764158988,1.7272727272727273,4.222222222222222 |
| 71,<polymer_spg>[*:1]c1cccc(S(=O)(=O)c2cccc(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->1,0.3692158574101428,-1.238072161579471,-1.0222763947111522,40.484429065743946,24.631578947368418 |
| 49,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N([*:2])C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1;2->1,1.3579348470004535,-0.153044674980176,0.1139433523068367,32.432432432432435,17.53846153846154 |
| 179,<polymer_spg>[*:1]c1ccc(C(c2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,0.8633228601204559,-0.8068754016455384,-0.5228787452803376,46.7948717948718,24.33333333333333 |
| 492,<polymer_spg>[*:1]Oc1c(C)cc(C(C)(C)c2ccc(C(C)(C)c3cc(C)c(Oc4ccc(S(=O)(=O)c5ccc([*:2])cc5)cc4)c(C)c3)cc2)cc1C;2->1,1.1205739312058498,-0.2218487496163564,-0.2441251443275086,22.0,23.157894736842103 |
| 465,<polymer_spg>[*:1]c1c(C)c(C)c(N2C(=O)c3ccc(Oc4cc(C(C)(C)C)cc(C)c4Oc4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c(C)c1C;2->1,1.8260748027008264,0.3424226808222063,0.3979400086720376,30.454545454545453,26.8 |
| 116,<polymer_spg>[*:1]Oc1ccc(C(=O)c2ccc(Oc3ccc(C4(c5ccc([*:2])cc5)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc12;2->1,0.696356388733332,-0.7166987712964504,-0.6536470255493614,25.885416666666664,22.387387387387385 |
| 293,<polymer_spg>[*:1]OC(=O)Oc1ccc(C(C)(C)c2ccc([*:2])cc2)cc1;2->1,0.8325089127062363,-0.4436974992327127,-0.4202164033831898,18.88888888888889,17.894736842105264 |
| 76,<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->1,0.8162412999917831,-1.154901959985743,-0.5086383061657274,93.57142857142856,21.12903225806452 |
| 48,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N([*:2])C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1;2->1,1.3579348470004535,-0.153044674980176,0.1139433523068367,32.432432432432435,17.53846153846154 |
| 436,<polymer_spg>[*:1]Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OC(=O)c3ccc(C([*:2])=O)cc3)cc21;2->1,1.745855195173729,0.6253124509616739,0.4742162640762552,13.199052132701423,18.69127516778524 |
| 263,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(Oc6ccc7c(c6)C(=O)N([*:2])C7=O)cc5)cc4C3=O)cc2)cc1;2->1,,,-1.4685210829577449,, |
| 898,<polymer_spg>[*:1]C(=C([*:2])c1ccc(C[Si](C)(C)C)cc1)c1ccccc1;2->1,2.806179973983887,2.0791812460476247,1.6434526764861874,5.333333333333333,14.545454545454543 |
| 813,<polymer_spg>[*:1]c1ccc(C(c2ccc(-c3nc4cc(C(c5ccc6oc([*:2])nc6c5)(C(F)(F)F)C(F)(F)F)ccc4o3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,2.6532125137753435,1.3010299956639813,1.505149978319906,22.5,14.0625 |
| 817,<polymer_spg>[*:1]c1ccc(C(c2ccc(-c3nc4ccc(-c5ccc6nc([*:2])oc6c5)cc4o3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,2.6127838567197355,1.260071387985075,1.403120521175818,22.52747252747253,16.205533596837945 |
| 526,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(OC([*:2])=O)cc3)CC3CCC2C3)cc1;2->1,0.9590413923210936,-0.3196644865854368,-0.3269790928711038,18.997912317327767,19.32059447983015 |
| 332,<polymer_spg>[*:1]Oc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(OC(=O)c5cccc(C([*:2])=O)c5)cc4)ccc2C3=O)cc1;2->1,0.9542425094393248,-0.4762535331884355,-0.4659738939438649,26.94610778443113,26.31578947368421 |
| 64,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(C)c2)cc1C;2->1,0.9420080530223132,-0.7033348097384688,-0.3914739664228058,44.19191919191919,21.551724137931032 |
| 886,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1ccc(F)cc1;2->1,4.672097857935717,4.535294120042771,4.193124598354461,1.370262390670554,3.0128205128205128 |
| 52,<polymer_spg>[*:1]c1ccc2c(c1)Cc1cc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)ccc1-2;2->1,1.0530784434834195,-0.6819366650372385,-0.3053948010664313,54.32692307692308,22.82828282828283 |
| 363,<polymer_spg>[*:1]c1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)cc2)cc1;2->1,0.5185139398778874,-1.0757207139381184,-1.0,39.285714285714285,32.99999999999999 |
| 522,<polymer_spg>[*:1]OC(=O)Oc1ccc2c(c1)CC(C)(C)C21Cc2cc([*:2])ccc2C1(C)C;2->1,1.4771212547196624,-0.6989700043360187,0.1376705372367551,150.0,21.84996358339403 |
| 409,<polymer_spg>[*:1]Sc1ccc([*:2])cc1;2->1,0.2041199826559248,-1.1804560644581312,-1.337242168318426,24.24242424242424,34.78260869565218 |
| 124,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C([*:2])=O)cc3)cc2)cc1;2->1,1.0644579892269184,-0.1687703061329366,-0.2006594505464183,17.10914454277286,18.41269841269841 |
| 721,<polymer_spg>[*:1]Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(C)(C)CC4(C)c3ccc(C([*:2])=O)cc3)cc2)cc1;2->1,0.9242792860618816,-0.6777807052660807,-0.619788758288394,40.0,35.0 |
| 501,<polymer_spg>[*:1]N=C1C=CC(=Nc2ccc(Nc3ccc(Nc4ccc([*:2])cc4)cc3)cc2)C=C1;2->1,-0.1426675035687315,-2.10790539730952,-1.7825160557860935,92.3076923076923,43.63636363636363 |
| 513,<polymer_spg>[*:1]OC(=O)Oc1c(C)cc(C(C)(C)c2cc(C)c([*:2])c(C)c2)cc1C;2->1,1.24551266781415,-0.0655015487564322,0.0374264979406236,20.46511627906977,16.146788990825687 |
| 288,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C([*:2])=O)cc3)cc2)cc1;2->1,0.8750612633917001,-0.3979400086720376,-0.4814860601221125,18.75,22.727272727272727 |
| 549,<polymer_spg>[*:1]CC([*:2])c1ccc(C(C)(C)C)cc1;2->1,2.1464381352857744,1.2227164711475833,0.9242792860618816,8.389221556886227,16.678571428571427 |
| 302,<polymer_spg>[*:1]O[Si]([*:2])(C)C;2->1,3.5118833609788744,2.977723605288848,2.4471580313422194,3.421052631578948,11.607142857142858 |
| 118,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc([*:2])cc5)cc4)cc3)cc2)cc1;2->1,0.3404441148401183,-1.0757207139381184,-1.0604807473813815,26.07142857142857,25.17241379310345 |
| 12,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2cccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)c2)cc1;2->1,0.1760912590556812,-1.2839966563652008,-1.1804560644581312,28.846153846153847,22.727272727272727 |
| 157,<polymer_spg>[*:1]c1cc2c(cc1C)-c1cc(C)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc1S2(=O)=O;2->1,0.8609366207000937,-0.826813731587726,,48.7248322147651, |
| 337,<polymer_spg>[*:1]c1ccc(N(c2ccccc2)c2ccc(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->1,0.6748611407378116,-1.0969100130080565,-1.0969100130080565,59.12500000000001,59.12500000000001 |
| 955,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C;2->1,4.431363764158987,4.176091259055681,3.8195439355418688,1.8,4.090909090909091 |
| 127,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)cc2)cc1;2->1,1.383815365980431,0.1553360374650618,0.0780941504064106,16.923076923076923,20.2172096908939 |
| 46,<polymer_spg>[*:1]c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(N5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N([*:2])C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)cc2)cc1;2->1,0.8948696567452525,-0.6675615400843947,-0.5044556624535516,36.51162790697674,25.07987220447284 |
| 235,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C([*:2])=O)c4)cc3)c3ccccc3-c3ccccc32)cc1;2->1,1.0934216851622351,-0.2097148359667583,-0.2441251443275086,20.097244732576986,21.754385964912284 |
| 596,<polymer_spg>[*:1]CCOC(=O)c1ccc2cc(C(=O)O[*:2])ccc2c1;2->1,-1.6575773191777938,,,, |
| 241,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.2810333672477277,-0.0974532206860085,0.041392685158225,23.90488110137672,17.363636363636363 |
| 650,<polymer_spg>[*:1]Oc1cc(C)c(C(c2cc(C(C)C)c(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2C)c2ccccc2C(=O)O)cc1C(C)C;2->1,1.3996737214810382,0.0530784434834196,-0.1209041204999272,22.212389380530976,33.15719947159842 |
| 402,<polymer_spg>[*:1]c1cc(C)c(Oc2cc(C)c([*:2])c(C)c2)c(C)c1C(=O)c1ccc(Br)cc1;2->1,1.255272505103306,0.0530784434834196,0.3283796034387377,15.92920353982301,8.450704225352114 |
| 161,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2F)c(F)c1;2->1,-0.266000713461613,-1.889410289700751,-1.6925039620867872,42.015503875969,26.69950738916257 |
| 1069,<polymer_spg>[*:1]c1cc(C(c2ccc(O)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O;2->1,0.4313637641589873,-1.5228787452803376,-1.0457574905606752,90.00000000000001,30.000000000000004 |
| 177,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc4c(c3)C(C)(c3ccc(Oc5ccc(-c6ccc(N7C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N([*:2])C%10=O)cc8C7=O)cc6)cc5C(F)(F)F)cc3)CC4(C)C)c(C(F)(F)F)c2)cc1;2->1,1.5536403362313542,-0.0087739243075051,0.1522883443830564,36.51020408163266,25.19718309859155 |
| 944,<polymer_spg>[*:1]=CC1CC(C=[*:2])C2C1C([Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C2[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C;2->1,3.0644579892269186,2.4771212547196626,2.0,3.866666666666666,11.6 |
| 856,<polymer_spg>[*:1]C(=C([*:2])c1ccc(C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1;2->1,3.361727836017593,2.7323937598229686,2.322219294733919,4.25925925925926,10.952380952380953 |
| 424,<polymer_spg>[*:1]CC([*:2])Cl;2->1,-0.8041003475907662,-1.5436339668709569,-1.9281179926938743,5.489510489510489,13.305084745762713 |
| 325,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc(C(=O)c6ccc([*:2])cc6)cc5)cc4)cc3)OC(=O)c3ccccc32)cc1;2->1,0.3364597338485295,-1.2487208960166578,-1.1378686206869628,38.47517730496454,29.807692307692307 |
| 1006,<polymer_spg>[*:1]OCCOC(=O)c1ccc(C([*:2])=O)cc1;2->1,-0.7495799976911061,,-2.154901959985743,,25.428571428571427 |
| 1004,<polymer_spg>[*:1]OCCCCCCC([*:2])=O;2->1,2.459392487759231,1.354108439147401,0.978180516937414,12.743362831858406,30.28391167192429 |
| 350,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-n5c(=O)c6cc7c(=O)n([*:2])c(=O)c7cc6c5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1;2->1,1.24551266781415,-0.1951793212788376,-0.0254883072626716,27.58620689655173,18.66383881230117 |
| 443,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc([Si](C)(C)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,,,-1.2365720064370629,, |
| 17,<polymer_spg>[*:1]c1c(C)c(C)c(N2C(=O)c3ccc(Oc4cccc(C)c4Oc4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c(C)c1C;2->1,1.4313637641589874,-0.1549019599857432,-0.0809219076239261,38.57142857142858,32.53012048192771 |
| 1030,<polymer_spg>[*:1]c1cc(C)c2c(c1)CN1CN2Cc2c1ccc(N1C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C1=O)c2C;2->1,2.1903316981702914,0.5185139398778874,0.8129133566428556,46.96969696969697,23.846153846153847 |
| 186,<polymer_spg>[*:1]c1cc2c(c(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c1C)C(C)(C)CC2;2->1,2.146128035678238,0.9084850188786496,0.9294189257142929,17.283950617283953,16.470588235294116 |
| 493,<polymer_spg>[*:1]N=C1C=CC(=Nc2ccc(Nc3ccc(Nc4ccc([*:2])cc4)cc3)cc2)C=C1;2->1,-0.1739251972991735,-2.3010299956639813,-1.769551078621726,134.0,39.41176470588236 |
| 338,<polymer_spg>[*:1]c1ccc(N(c2ccc(OC)cc2)c2ccc(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->1,1.2258259914618934,-0.3010299956639812,-0.0506099933550872,33.64,18.89887640449438 |
| 206,<polymer_spg>[*:1]C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)-c3nc5ccc(Oc6ccc7c(c6)-c6nc8cc([*:2])ccc8n6C7=O)cc5n3C4=O)cc2)cc1;2->1,,,-1.2328441339178196,, |
| 693,<polymer_spg>[*:1]CC=C(Cl)C[*:2];2->1,1.4065401804339552,0.5158738437116791,0.0681858617461616,7.774390243902439,21.7948717948718 |
| 975,<polymer_spg>[*:1]C1C2CCC(C2)C1[*:2];2->1,1.526339277389844,0.414973347970818,0.1760912590556812,12.923076923076923,22.4 |
| 345,<polymer_spg>[*:1]c1cccc(Oc2cccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)c2)c1;2->1,-0.3010299956639812,-2.096910013008056,-1.744727494896694,62.5,27.77777777777778 |
| 313,<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)cc3)cc2C(F)(F)F)cc1;2->1,1.5200903281128424,0.0755469613925307,0.4578818967339923,27.831932773109244,11.54006968641115 |
| 242,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.0969100130080565,,-0.1870866433571444,,19.23076923076923 |
| 741,<polymer_spg>[*:1]Nc1ccc(C2(c3ccc(NC(=O)c4ccc(C([*:2])=O)cc4)cc3)c3ccccc3-c3ccccc32)cc1;2->1,1.1846914308175989,-0.2612194415156308,-0.2865094569060575,27.91970802919708,29.59381044487428 |
| 451,<polymer_spg>[*:1]c1cc2c(cc1C)S(=O)(=O)c1cc(C)c(N3C(=O)c4cc5c(cc4C3=O)S(=O)(=O)c3cc4c(cc3S5(=O)=O)C(=O)N([*:2])C4=O)cc1-2;2->1,1.380211241711606,-0.2291479883578558,-0.1549019599857432,40.67796610169492,34.285714285714285 |
| 170,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)n1c-2nc2ccc(Oc3cccc4c3nc3n4C(=O)c4ccc([*:2])cc4-3)cc21;2->1,,,-1.6382721639824072,, |
| 187,<polymer_spg>[*:1]c1ccc(N(c2ccccc2)c2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,0.5185139398778874,-1.031517051446065,-0.8416375079047503,35.483870967741936,22.916666666666668 |
| 1008,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(S(=O)(=O)c5ccc([*:2])cc5)cc4)cc3)NC(=O)c3ccccc32)cc1;2->1,0.5693739096150459,-1.1674910872937636,-1.0861861476162833,54.55882352941176,45.24390243902439 |
| 133,<polymer_spg>[*:1]Oc1ccc(C(C)(CC(C)C)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc2)cc1;2->1,1.2013971243204515,-0.2146701649892329,-0.2441251443275086,26.06557377049181,27.894736842105267 |
| 301,<polymer_spg>[*:1]Oc1c(C)cc([*:2])cc1C;2->1,1.816241299991783,0.6127838567197355,0.5440680443502757,15.975609756097562,18.714285714285715 |
| 819,<polymer_spg>[*:1]c1ccc(C(c2ccc(-c3nc4cc(-c5ccc6nc([*:2])oc6c5)ccc4o3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.7708520116421442,0.2041199826559248,0.3424226808222063,36.875,26.818181818181817 |
| 895,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)CCC2)c1ccccc1;2->1,2.591064607026499,1.7781512503836436,1.4771212547196624,6.5,13.0 |
| 318,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc(C4(c5cccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N([*:2])C%11=O)cc9C8=O)cc7)cc6C(F)(F)F)c5)c5ccccc5C(=O)N4c4ccccc4)cc3)c(C(F)(F)F)c2)cc1;2->1,1.1640552918934517,-0.0757207139381183,-0.0177287669604316,17.36904761904762,15.197916666666668 |
| 78,<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,-0.7878123955960422,-0.3496924768680635,56.44171779141104,20.58165548098433 |
| 863,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(F)cc1;2->1,4.32221929473392,4.041392685158225,3.6720978579357175,1.9090909090909087,4.468085106382978 |
| 635,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.0791812460476249,-0.2636034977233575,-0.175874166083451,22.01834862385321,17.991004497751124 |
| 346,<polymer_spg>[*:1]c1cccc(Oc2ccc(C(c3ccc(Oc4cccc(-n5c(=O)c6cc7c(=O)n([*:2])c(=O)c7cc6c5=O)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1;2->1,0.7867514221455612,-0.769551078621726,-0.5376020021010439,36.0,21.10344827586207 |
| 396,<polymer_spg>[*:1]Oc1c(C)cc([*:2])cc1C;2->1,1.9590413923210936,,0.7824726241662862,,15.016501650165017 |
| 198,<polymer_spg>[*:1]c1ccc2c(c1)nc1n2C(=O)c2ccc(C(=O)Oc3ccc(C(c4ccc(OC(=O)c5ccc6c(c5)-c5nc7cc([*:2])ccc7n5C6=O)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2-1;2->1,,,-0.8096683018297085,, |
| 389,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)N(c3cccc(N5C(=O)c6ccc([*:2])cc6C5=O)c3)C4=O)cc2)cc1;2->1,0.255272505103306,-1.3979400086720375,-0.2757241303992109,45.0,3.39622641509434 |
| 385,<polymer_spg>[*:1]Oc1ccc(Cc2ccc(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->1,0.8808135922807914,-0.4814860601221125,-0.2596373105057561,23.030303030303028,13.818181818181817 |
| 963,<polymer_spg>[*:1]c1c(C)c(C)c(N2C(=O)c3cc4c(cc3C2=O)C2(CC(C)(C)c3cc5c(cc32)C(=O)N([*:2])C5=O)CC4(C)C)c(C)c1C;2->1,3.755874855672492,2.785329835010767,2.6232492903979003,9.344262295081966,13.571428571428571 |
| 1051,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(C)CCC7(C)c4cc5oc6cc7c(=O)n([*:2])c(=O)c7cc6oc5cc43)c3ccccc23)c2ccccc12;2->1,2.9907826918031377,1.740362689494244,1.6334684555795864,17.8,22.76744186046512 |
| 119,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc2)cc1;2->1,0.7481880270062004,-0.5718652059712112,-0.5654310959658012,20.8955223880597,20.588235294117645 |
| 651,<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,,0.0240749873074262,,19.86754966887417 |
| 999,<polymer_spg>[*:1]=CC1CC(C=[*:2])C([Si](C)(C)C)C1;2->1,2.2174839442139063,1.0374264979406236,1.0681858617461617,15.137614678899082,14.102564102564104 |
| 713,<polymer_spg>[*:1]NC(=O)c1ccc2c(c1)C(=O)N(c1c(CC)cc(CC)c([*:2])c1C)C2=O;2->1,1.5171958979499742,,0.0492180226701816,,29.375 |
| 229,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4ccc(Oc5cc(C(C)(C)C)c(Oc6ccc7c(c6)C(=O)N([*:2])C7=O)cc5C(C)(C)C)cc4C3=O)c(C)c2)cc1C;2->1,1.977723605288848,0.7481880270062004,0.6901960800285137,16.964285714285715,19.387755102040813 |
| 808,<polymer_spg>[*:1]c1ccc(-c2nc3cc(C(c4ccc5oc([*:2])nc5c4)(C(F)(F)F)C(F)(F)F)ccc3o2)cc1;2->1,1.724275869600789,0.146128035678238,0.3617278360175928,37.85714285714286,23.043478260869566 |
| 21,<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)c1C;2->1,1.5854607295085006,-0.0555173278498313,0.290034611362518,43.75,19.743589743589745 |
| 848,<polymer_spg>[*:1]C(C)=C([*:2])[Ge](C)(C)C;2->1,4.146128035678238,3.431363764158988,3.0,5.185185185185185,14.0 |
| 996,<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 |
| 583,<polymer_spg>[*:1]OC1OC(COCC)C([*:2])C(O)C1OCC;2->1,1.830588668685144,0.785329835010767,0.5024271199844327,11.098360655737704,21.28930817610063 |
| 250,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C([*:2])=O)c4)cc3)c3ccccc3-c3ccccc32)cc1;2->1,1.0128372247051722,-0.2104192878355745,-0.2549252084179425,16.72077922077922,18.52517985611511 |
| 243,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(OC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.7551122663950711,0.5403294747908738,0.5888317255942073,16.397694524495677,14.664948453608249 |
| 644,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(S(=O)(=O)c5ccc([*:2])cc5)cc4)cc3)OC(=O)c3ccccc32)cc1;2->1,0.724275869600789,-0.8696662315049939,-0.769551078621726,39.25925925925925,31.17647058823529 |
| 35,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N([*:2])C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1;2->1,1.2787536009528289,-0.2924298239020636,-0.0087739243075051,37.25490196078432,19.387755102040817 |
| 81,<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->1,2.708420900134713,1.3502480183341627,1.4502491083193612,22.8125,18.120567375886527 |
| 159,<polymer_spg>[*:1]c1ccc(S(=O)(=O)c2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,0.3283796034387377,-1.4559319556497243,-1.1611509092627446,60.85714285714285,30.8695652173913 |
| 746,<polymer_spg>[*:1]Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(NC(=O)CN4C(=O)c5ccc(C([*:2])=O)cc5C4=O)cc3)c(F)c2F)cc1;2->1,0.1048284036536553,-1.8860566476931635,-1.1487416512809248,97.92307692307692,17.929577464788732 |
| 333,<polymer_spg>[*:1]Oc1ccc(-c2ccc(-c3ccc(OC(=O)c4cccc(C([*:2])=O)c4)cc3)c3c2C(=O)OC3(C)C)cc1;2->1,0.8286598965353198,-0.7772835288524167,-0.5783960731301689,40.35928143712575,25.53030303030303 |
| 932,<polymer_spg>[*:1]O[Si]([*:2])(C)C;2->1,3.6582976503081897,3.131297796597623,2.662757831681574,3.365114560236512,9.897826086956522 |
| 941,<polymer_spg>[*:1]O[Si](C)(C)CCCCCCCC[Si]([*:2])(C)C;2->1,3.0788191830988487,2.505149978319906,2.0,3.746875,11.99 |
| 742,<polymer_spg>[*:1]Nc1ccc(C2(c3ccc(NC(=O)c4cccc(C([*:2])=O)c4)cc3)c3ccccc3-c3ccccc32)cc1;2->1,0.724275869600789,-0.8927900303521317,-0.7055337738384071,41.40625,26.903553299492383 |
| 109,<polymer_spg>[*:1]Oc1ccc(Oc2ccc(C(=O)c3ccc([*:2])cc3)cc2)c(-c2cc(C)cc(C)c2)c1;2->1,0.2041199826559248,-1.3010299956639813,-1.275724130399211,32.0,30.188679245283023 |
| 1070,<polymer_spg>[*:1]c1cc(C(c2ccc(O)c(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O;2->1,0.146128035678238,-1.6989700043360187,-1.0969100130080565,70.0,17.5 |
| 379,<polymer_spg>[*:1]=CC1CC(C=[*:2])C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C1(F)F;2->1,2.3010299956639813,1.255272505103306,1.230448921378274,11.11111111111111,11.764705882352942 |
| 649,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)c2ccccc2C(=O)O)cc1;2->1,0.3521825181113625,-1.40340290437354,-1.359518563029578,56.962025316455694,51.48741418764302 |
| 592,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC([*:2])=O)cc2)cc1;2->1,0.0644579892269184,-0.2291479883578558,,1.966101694915254, |
| 723,<polymer_spg>[*:1]Nc1cccc2c(NC(=O)c3ccc4c(c3)C(C)(C)CC4(C)c3ccc(C([*:2])=O)cc3)cccc12;2->1,0.6127838567197355,-1.0457574905606752,-0.9208187539523752,45.55555555555555,34.166666666666664 |
| 92,<polymer_spg>[*:1]c1cc(C)c(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1C;2->1,1.6304278750250238,0.0293837776852096,0.4265112613645752,39.90654205607477,15.992509363295882 |
| 762,<polymer_spg>[*:1]Nc1ccc(C2(c3ccc(NC(=O)Cn4c(=O)c5cc6c(=O)n(CC([*:2])=O)c(=O)c6cc5c4=O)cc3)c3ccccc3-c3ccccc32)cc1;2->1,0.2299376859079338,-1.1191864077192086,-1.1870866433571443,22.34210526315789,26.123076923076923 |
| 503,<polymer_spg>[*:1]N=C1C=CC(=Nc2ccc(Nc3ccc(Nc4ccc([*:2])cc4OC)cc3OC)cc2OC)C=C1OC;2->1,0.0253058652647702,,-1.3279021420642825,,22.553191489361705 |
| 571,<polymer_spg>[*:1]CC([*:2])c1ccncc1;2->1,0.5199591807520684,-0.8446639625349383,-0.9030899869919436,23.15384615384616,26.488 |
| 605,<polymer_spg>[*:1]N=P([*:2])(OCC(F)(F)F)OCC(F)(F)F;2->1,2.672097857935717,1.6127838567197357,1.5440680443502757,11.46341463414634,13.428571428571429 |
| 390,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C([*:2])=O)c4)cc3)OC(=O)c3ccccc32)cc1;2->1,0.8286598965353198,-0.6020599913279624,-0.5590909179347823,26.96,24.42028985507246 |
| 638,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.7481880270062004,-0.5934598195660448,-0.6020599913279624,21.960784313725487,22.4 |
| 70,<polymer_spg>[*:1]c1ccc(Cc2ccc(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->1,1.1789769472931697,-0.4934949675951279,-0.2494916051486538,47.0404984423676,26.820603907637658 |
| 344,<polymer_spg>[*:1]c1cccc(Oc2cccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)c2)c1;2->1,-0.3010299956639812,-2.096910013008056,-1.7423214251308154,62.5,27.62430939226519 |
| 211,<polymer_spg>[*:1]Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)c(Br)c2)cc1Br;2->1,1.3560258571931227,0.0253058652647702,0.0253058652647702,21.41509433962264,21.41509433962264 |
| 171,<polymer_spg>[*:1]c1c(C)cc(Cc2cc(C)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c(C)c2)cc1C;2->1,1.3502480183341627,-0.087246696328677,-0.039529222465701,27.383863080684595,24.53450164293537 |
| 165,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,0.0,-1.6882461389442456,-1.5199930570428493,48.78048780487805,33.11258278145695 |
| 238,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(OC([*:2])=O)cc3)c3ccccc3-c3ccccc32)cc1;2->1,1.1789769472931697,-0.2358238676096693,-0.2276782932770802,25.989672977624785,25.50675675675676 |
| 188,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,,,-1.6989700043360187,, |
| 609,<polymer_spg>[*:1]CCCCCC(=O)O[*:2];2->1,1.2253092817258628,0.1958996524092337,-0.2291479883578558,10.70063694267516,28.474576271186443 |
| 689,<polymer_spg>[*:1]CC([*:2])C;2->1,,,-0.3010299956639812,, |
| 986,<polymer_spg>[*:1]c1cc(C(c2ccc(O)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O;2->1,0.2304489213782739,-1.6989700043360187,-1.1487416512809248,85.0,23.943661971830988 |
| 321,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc([*:2])cc5)cc4)cc3)OC(=O)c3ccccc32)cc1;2->1,0.436162647040756,-1.0851281824599497,-0.8153085691824012,33.21167883211679,17.84313725490196 |
| 717,<polymer_spg>[*:1]c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc2ccc(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->1,0.9498777040368748,-0.769551078621726,-0.4089353929735008,52.41176470588235,22.846153846153847 |
| 155,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c(Cl)c2)cc1Cl;2->1,-0.0096611452123985,-1.785156151952302,-1.5128616245228137,59.634146341463406,31.85667752442997 |
| 837,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)C)cc1)c1ccccc1;2->1,3.6720978579357175,3.1760912590556813,2.716003343634799,3.1333333333333333,9.038461538461538 |
| 125,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C([*:2])=O)cc3)cc2)cc1;2->1,0.9030899869919436,-0.3979400086720376,-0.431798275933005,20.0,21.62162162162162 |
| 456,<polymer_spg>[*:1]Oc1c(Br)cc(C(C)(C)c2cc(Br)c(OC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)c(Br)c2)cc1Br;2->1,1.294466226161593,-0.0767559813697235,-0.0705810742857072,23.50835322195704,23.176470588235293 |
| 66,<polymer_spg>[*:1]c1ccc(C(C)(C)c2ccc(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->1,1.4771212547196624,-0.1549019599857432,0.1271047983648076,42.85714285714286,22.388059701492537 |
| 747,<polymer_spg>[*:1]Nc1ccc(C2(c3ccc(NC(=O)CN4C(=O)c5ccc(C([*:2])=O)cc5C4=O)cc3)c3ccccc3-c3ccccc32)cc1;2->1,0.1872386198314787,-1.769551078621726,-1.193820026016113,90.52941176470588,24.046875 |
| 685,<polymer_spg>[*:1]CC[*:2];2->1,0.255272505103306,,,, |
| 178,<polymer_spg>[*:1]c1cccc(C(c2cccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)c1;2->1,0.021189299069938,-1.853871964321762,-0.3279021420642826,75.0,2.2340425531914896 |
| 769,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(CC(C)(C)c4cc5oc6cc8c(=O)n([*:2])c(=O)c8cc6oc5cc43)CC7(C)C)c3ccccc23)c2ccccc12;2->1,3.3560258571931225,2.230448921378274,2.0,13.352941176470589,22.7 |
| 415,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(Oc4ccc(S(=O)(=O)c5ccc([*:2])cc5)cc4)cc3)c2)cc1;2->1,0.4471580313422192,-0.958607314841775,-0.958607314841775,25.454545454545453,25.454545454545453 |
| 100,<polymer_spg>[*:1]NC(=O)c1ccc(C(c2ccc(C(=O)O)c(C(=O)Nc3cc(Oc4ccc([*:2])c(N)c4)ccc3N)c2)(C(F)(F)F)C(F)(F)F)cc1C(=O)O;2->1,0.5670263661590603,-1.0604807473813815,-0.769551078621726,42.41379310344828,21.70588235294117 |
| 597,<polymer_spg>[*:1]N=P([*:2])(Oc1ccccc1)Oc1ccccc1;2->1,,,0.3541084391474008,, |
| 691,<polymer_spg>[*:1]CC(C)=C(C)C[*:2];2->1,0.8733206018153987,,-0.3260580013659122,,15.826271186440678 |
| 334,<polymer_spg>[*:1]Oc1ccc(-c2ccc(-c3ccc(OC(=O)c4cc(C([*:2])=O)cc(C(C)(C)C)c4)cc3)c3c2C(=O)OC3(C)C)cc1;2->1,1.376576957056512,0.0644579892269184,0.0253058652647702,20.517241379310345,22.452830188679243 |
| 775,<polymer_spg>[*:1]c1ccc(C(=O)c2ccc(-c3nc4cc(C(c5ccc6oc([*:2])nc6c5)(C(F)(F)F)C(F)(F)F)ccc4o3)cc2)cc1;2->1,1.0569048513364727,-0.5528419686577808,-0.2596373105057561,40.71428571428571,20.727272727272727 |
| 220,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc([*:2])cc5)cc4)c(C)c3)OC(=O)c3ccccc32)cc1C;2->1,0.414973347970818,-1.1542819820333414,-1.0096611452123985,37.089871611982886,26.584867075664626 |
| 391,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(OC(=O)c4ccc(C([*:2])=O)cc4)cc3)OC(=O)c3ccccc32)cc1;2->1,1.0681858617461617,-0.3279021420642826,-0.3872161432802645,24.8936170212766,28.536585365853657 |
| 309,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc4c(c3)C3(CC4(C)C)CC(C)(C)c4ccc(Oc5ccc(-c6ccc(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)cc5C(F)(F)F)cc43)c(C(F)(F)F)c2)cc1;2->1,1.7241119539612122,0.08278537031645,0.5250448070368452,43.78512396694215,15.814925373134328 |
| 860,<polymer_spg>[*:1]C(=C([*:2])c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1;2->1,2.724275869600789,1.662757831681574,1.3617278360175928,11.521739130434783,23.043478260869566 |
| 988,<polymer_spg>[*:1]Nc1cc(C(c2ccc(O)c(NC(=O)c3ccc(C(c4ccc(C([*:2])=O)cc4)(C(F)(F)F)C(F)(F)F)cc3)c2)(C(F)(F)F)C(F)(F)F)ccc1O;2->1,1.021189299069938,-0.638272163982407,-0.2291479883578558,45.65217391304348,17.796610169491526 |
| 527,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(OC([*:2])=O)cc3)CCCCC2)cc1;2->1,0.3424226808222063,-1.0376306643299789,-0.978810700930062,23.991275899672846,20.95238095238096 |
| 927,<polymer_spg>[*:1]CC[*:2];2->1,1.255272505103306,0.6812412373755872,,3.75, |
| 245,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.2810333672477277,-0.0974532206860085,0.0453229787866574,23.90488110137672,17.207207207207208 |
| 518,<polymer_spg>[*:1]Oc1ccc(C(=C(Cl)Cl)c2ccc(OC([*:2])=O)cc2)cc1;2->1,0.8692317197309762,-0.5086383061657274,-0.6020599913279624,23.870967741935484,29.6 |
| 867,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(Br)cc1;2->1,4.230448921378274,3.9684829485539352,3.544068044350276,1.827956989247312,4.857142857142857 |
| 810,<polymer_spg>[*:1]c1ccc(C(c2ccc(-c3nc4ccc(-c5ccc6nc([*:2])oc6c5)cc4o3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.6989700043360187,0.2227164711475832,0.4313637641589873,29.940119760479043,18.51851851851852 |
| 104,<polymer_spg>[*:1]NC(=O)c1ccc(C(c2ccc(C(=O)O)c(C(=O)Nc3c(C)cc(C)c([*:2])c3C)c2)(C(F)(F)F)C(F)(F)F)cc1C(=O)O;2->1,2.745074791582057,1.3891660843645324,1.4785664955938431,22.693877551020407,18.471760797342192 |
| 1016,<polymer_spg>[*:1]c1cc2c(cc1Br)-c1ccccc1C21c2ccccc2-c2cc(Br)c(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)cc21;2->1,2.8407332346118066,1.5622928644564746,1.4593924877592308,18.98630136986301,24.0625 |
| 51,<polymer_spg>[*:1]c1ccc2c(c1)Cc1cc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)ccc1-2;2->1,1.507855871695831,-0.2006594505464183,0.1038037209559568,51.11111111111112,25.35433070866142 |
| 354,<polymer_spg>[*:1]c1ccc(Cc2ccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)cc2)cc1;2->1,0.6053050461411095,-1.031517051446065,-0.6989700043360187,43.333333333333336,20.15 |
| 460,<polymer_spg>[*:1]Oc1c(Br)cc(C2(c3cc(Br)c(OC(=O)c4cccc(C([*:2])=O)c4)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br;2->1,1.3096301674258988,-0.2464169411070934,-0.1518108830086013,35.97883597883598,28.93617021276596 |
| 22,<polymer_spg>[*:1]Oc1ccc(Oc2ccc(C(=O)c3ccc([*:2])cc3)cc2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1;2->1,0.9395192526186184,-0.4202164033831898,-0.2676062401770314,22.89473684210526,16.111111111111107 |
| 374,<polymer_spg>[*:1]=CC1CCC(C=CC2CCC(C=CC3CCC(C=[*:2])C3)C2)C1;2->1,1.3729120029701063,0.6720978579357175,0.3424226808222063,5.0212765957446805,10.727272727272728 |
| 538,<polymer_spg>[*:1]CC([*:2])c1ccc(Cl)cc1;2->1,0.6334684555795865,-0.585026652029182,-0.638272163982407,16.538461538461537,18.695652173913043 |
| 218,<polymer_spg>[*:1]c1c(C)c(C)c(N2C(=O)c3ccc(Oc4c(C)ccc(C)c4Oc4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c(C)c1C;2->1,1.7993405494535817,0.2787536009528289,0.3117538610557542,33.15789473684211,30.731707317073173 |
| 948,<polymer_spg>[*:1]C1C2CC(C1[*:2])C([Si](C)(C)C)C2;2->1,3.638489256954637,2.8976270912904414,2.4727564493172123,5.506329113924051,14.646464646464649 |
| 602,<polymer_spg>[*:1]N=P([*:2])(C)C;2->1,1.4683473304121573,,0.1038037209559568,,23.1496062992126 |
| 1052,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(C)CCC7(C)c4cc5oc6cc7c(=O)n([*:2])c(=O)c7cc6oc5cc43)c3ccccc23)c2ccccc12;2->1,2.673020907128896,1.4116197059632305,1.3222192947339193,18.25581395348837,22.428571428571427 |
| 205,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)Oc5ccc(C(C)(C)c6ccc(OC(=O)c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6)cc5)cc4C3=O)cc2)cc1;2->1,,,-1.3151546383555874,, |
| 744,<polymer_spg>[*:1]Nc1ccc(Cc2ccc(NC(=O)CN3C(=O)c4ccc(C([*:2])=O)cc4C3=O)cc2)cc1;2->1,-0.5783960731301689,-2.0,-1.769551078621726,26.4,15.529411764705882 |
| 497,<polymer_spg>[*:1]N=C1C=CC(=Nc2ccc(Nc3ccc(Nc4ccc([*:2])cc4)cc3)cc2)C=C1;2->1,-0.3223930472795068,-1.8860566476931635,-1.7212463990471711,36.61538461538461,25.052631578947366 |
| 516,<polymer_spg>[*:1]OC(=O)Oc1c(C)cc(C(C)(C)c2cc(C)c([*:2])c(C)c2)cc1C;2->1,1.3364597338485296,0.021189299069938,0.021189299069938,20.666666666666664,20.666666666666664 |
| 375,<polymer_spg>[*:1]C=CC1CCC([*:2])C1;2->1,1.187520720836463,0.3979400086720376,0.1760912590556812,6.16,10.266666666666667 |
| 185,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C(=O)c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6C5=O)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1;2->1,0.8413594704548549,-0.7235381958267558,-0.431798275933005,36.71957671957672,18.75675675675676 |
| 404,<polymer_spg>[*:1]c1cc(C)c(Oc2cc(C)c([*:2])c(C)c2)c(C)c1C(=O)c1ccc(Cl)cc1;2->1,1.2253092817258628,-0.0087739243075051,0.255272505103306,17.142857142857142,9.333333333333334 |
| 622,<polymer_spg>[*:1]O[Si]([*:2])(C)CCCCCCCC;2->1,,,1.9459607035775688,, |
| 401,<polymer_spg>[*:1]Oc1c(C)cc([*:2])cc1C;2->1,1.8195439355418688,0.6127838567197355,0.5440680443502757,16.097560975609756,18.857142857142858 |
| 588,<polymer_spg>[*:1]OC1OC(COC(C)=O)C([*:2])C(OC(C)=O)C1OC(C)=O;2->1,0.6627578316815741,-0.8239087409443188,-0.8538719643217619,30.666666666666664,32.857142857142854 |
| 891,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1ccc(Br)cc1;2->1,4.515873843711679,4.350248018334163,3.963787827345555,1.4642857142857142,3.565217391304348 |
| 441,<polymer_spg>[*:1]c1ccc(-c2ccc(N3C(=O)c4ccc([Si](C)(C)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c(C)c2)cc1C;2->1,,,-1.0268721464003014,, |
| 132,<polymer_spg>[*:1]Oc1ccc(C(C)(CC)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc2)cc1;2->1,0.6627578316815741,-0.769551078621726,-0.619788758288394,27.05882352941176,19.166666666666664 |
| 173,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc4c(c3)C(C)(c3ccc(Oc5ccc(-c6ccc(-n7c(=O)c8cc9c(=O)n([*:2])c(=O)c9cc8c7=O)cc6)cc5C(F)(F)F)cc3)CC4(C)C)c(C(F)(F)F)c2)cc1;2->1,1.6501131644435714,0.1818435879447725,0.3729120029701065,29.394736842105264,18.93220338983051 |
| 428,<polymer_spg>[*:1]CC([*:2])(F)F;2->1,-0.2865094569060575,-1.6989700043360187,-1.6516951369518391,25.85,23.18385650224216 |
| 627,<polymer_spg>[*:1]O[Si](C)(C)CCCCCC[Si]([*:2])(C)C;2->1,,,1.9084850188786493,, |
| 1058,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3Cc4cc6c(cc4C(C5)C3)C(=O)N([*:2])C6=O)c3ccccc23)c2ccccc12;2->1,3.220369632451394,1.980911937776844,1.8819549713396004,17.356321839080458,21.79790026246719 |
| 841,<polymer_spg>[*:1]C(C)=C([*:2])SCCCC;2->1,2.204119982655925,1.9493900066449128,1.255272505103306,1.797752808988764,8.88888888888889 |
| 836,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C;2->1,4.4623979978989565,3.812913356642856,3.431363764158988,4.461538461538462,10.74074074074074 |
| 96,<polymer_spg>[*:1]c1c(C)c(C)c(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c(C)c1C;2->1,2.6434526764861874,1.4502491083193612,1.551449997972875,15.602836879432624,12.359550561797752 |
| 654,<polymer_spg>[*:1]Oc1c(C)cc(Cc2cc(C)c(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)c(C)c2)cc1C;2->1,1.1760912590556811,-0.2388241868442686,-0.2139587897574457,25.99653379549393,24.549918166939445 |
| 499,<polymer_spg>[*:1]N=C1C=CC(=Nc2ccc(Nc3ccc(Nc4ccc([*:2])cc4)cc3)cc2)C=C1;2->1,-0.2456516642889811,-1.958607314841775,-1.7958800173440752,51.63636363636363,35.49999999999999 |
| 74,<polymer_spg>[*:1]c1ccc(Oc2cccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c2)cc1;2->1,0.7860412102425542,-0.9030899869919436,-0.5867002359187482,48.88,23.590733590733592 |
| 89,<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->1,1.1398790864012365,-0.563837352959244,-0.2873502983727886,50.54945054945055,26.74418604651163 |
| 687,<polymer_spg>[*:1]CC[*:2];2->1,1.4471580313422192,,,, |
| 630,<polymer_spg>[*:1]O[Si](C)(C)c1ccc([Si]([*:2])(C)C)cc1;2->1,,,0.5301996982030822,, |
| 0,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4cc(Oc5ccccc5)c(-c5cc6c(cc5Oc5ccccc5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,1.462397997898956,-0.0705810742857072,-0.1366771398795441,34.11764705882353,39.72602739726028 |
| 558,<polymer_spg>[*:1]C(C(=O)OC(C)CC(C)C)C([*:2])C(=O)OC(C)(C)C;2->1,,,1.2041199826559248,, |
| 392,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C([*:2])=O)c4)cc3)OC(=O)c3ccccc32)cc1C(C)(C)C;2->1,1.376576957056512,0.0644579892269184,0.0374264979406236,20.517241379310345,21.8348623853211 |
| 476,<polymer_spg>[*:1]Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)c(C)c2)cc1C;2->1,1.724275869600789,0.4456042032735975,0.3979400086720376,18.99641577060932,21.2 |
| 887,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1cccc(F)c1;2->1,4.546542663478131,4.444044795918076,4.079181246047625,1.266187050359712,2.933333333333333 |
| 519,<polymer_spg>[*:1]OC(=O)Oc1ccc(C(C)(C)c2ccc([*:2])cc2)cc1;2->1,0.877371345869774,-0.4801720062242812,-0.5406075122407692,22.77945619335347,26.18055555555556 |
| 107,<polymer_spg>[*:1]c1ccc(Sc2ccc(Sc3ccc(Sc4ccc(N5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N([*:2])C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)cc2)cc1;2->1,0.92272545799326,-0.6575773191777937,-0.431798275933005,38.04545454545454,22.62162162162162 |
| 781,<polymer_spg>[*:1]c1ccc2c(c1)C(C)(c1ccc(-c3nnc([*:2])o3)cc1)CC2(C)C;2->1,1.968482948553935,0.5538830266438743,0.5185139398778874,25.97765363128492,28.181818181818183 |
| 702,<polymer_spg>[*:1]C(Cl)CCCC([*:2])S(=O)(=O)Cl;2->1,,,-0.2006594505464183,, |
| 223,<polymer_spg>[*:1]Oc1c(-c2ccccc2)cc([*:2])cc1-c1ccccc1;2->1,1.505149978319906,-0.0177287669604316,-0.0555173278498313,33.333333333333336,36.36363636363637 |
| 327,<polymer_spg>[*:1]OCCOC(=O)c1ccc(C([*:2])=O)cc1;2->1,-0.3665315444204134,,-1.769551078621726,,25.294117647058822 |
| 102,<polymer_spg>[*:1]c1c(C)cc(Cc2cc(C)c(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(C)c2)cc1C;2->1,1.6424645202421213,0.1613680022349748,0.3283796034387377,30.27586206896552,20.61032863849765 |
| 811,<polymer_spg>[*:1]c1ccc(C(c2ccc(-c3nc4ccc(-c5ccc6nc([*:2])oc6c5)cc4o3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,2.03342375548695,0.5910646070264992,0.8061799739838872,27.692307692307693,16.875 |
| 475,<polymer_spg>[*:1]Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)c3cccc(C([*:2])=O)c3)c(C)c2)cc1C;2->1,1.0791812460476249,-0.3260580013659122,-0.2373214362725638,25.42372881355932,20.725388601036272 |
| 213,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)c(C(C)C)c2)cc1C(C)C;2->1,1.2068258760318498,0.1553360374650618,0.0330214446829106,11.25874125874126,14.921223354958297 |
| 135,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc([*:2])cc4C3=O)c1)C2=O;2->1,0.1139433523068367,-1.450996737974212,-1.279014255846261,36.72316384180791,24.714828897338403 |
| 246,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(OC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.7551122663950711,0.5403294747908738,0.5599066250361125,16.397694524495677,15.674931129476583 |
| 1060,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3CC(C5=O)c4cc5c(cc4C3=O)C(=O)N([*:2])C5=O)c3ccccc23)c2ccccc12;2->1,2.976808337338066,1.606381365110605,1.6009728956867482,23.465346534653467,23.759398496240603 |
| 792,<polymer_spg>[*:1]CO[*:2];2->1,-0.3467874862246563,,-1.619788758288394,,18.75 |
| 686,<polymer_spg>[*:1]CC([*:2])C;2->1,0.9637878273455552,,,, |
| 672,<polymer_spg>[*:1]Oc1ccc(-c2nn(-c3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)c(=O)c3ccccc23)cc1;2->1,-0.0362121726544447,,-1.5686362358410126,,34.07407407407408 |
| 365,<polymer_spg>[*:1]c1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)cc2)cc1;2->1,0.0569048513364725,-1.585026652029182,-1.3106911408763795,43.84615384615385,23.31288343558282 |
| 904,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C1(CC1)c1ccccc1-2)c1ccccc1;2->1,3.690196080028514,3.361727836017593,2.9395192526186187,2.130434782608696,5.632183908045977 |
| 26,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(-c3cc(C)c([*:2])c(C)c3)cc2C)cc1C;2->1,2.556302500767288,1.1760912590556811,1.2174839442139065,24.0,21.818181818181817 |
| 712,<polymer_spg>[*:1]NC(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(C)c([*:2])c1C)C2=O;2->1,1.252853030979893,-0.4571745730408201,-0.3018994543766101,51.28939828080229,35.87174348697395 |
| 417,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(Oc4ccc(S(=O)(=O)c5ccc([*:2])cc5)cc4)cc3)cc2)cc1;2->1,0.8325089127062363,-0.4685210829577448,-0.494850021680094,20.0,21.25 |
| 625,<polymer_spg>[*:1]C[Si]([*:2])(C)C;2->1,,,1.5550944485783191,, |
| 618,<polymer_spg>[*:1]O[Si]([*:2])(C)C;2->1,,,2.545307116465824,, |
| 3,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4cc(Oc5ccc(C(C)(C)C)cc5)c(-c5cc6c(cc5Oc5ccc(C(C)(C)C)cc5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,1.9324737646771533,0.4996870826184038,0.469822015978163,27.088607594936708,29.01694915254237 |
| 134,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.5440680443502757,-0.744727494896694,-0.7958800173440752,19.444444444444446,21.875 |
| 355,<polymer_spg>[*:1]c1ccc(Cc2ccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)cc2)cc1;2->1,,,-1.1611509092627446,, |
| 979,<polymer_spg>[*:1]=CC1CC(C=[*:2])C([Si](C)(C)C)C1;2->1,1.899273187317604,1.230448921378274,0.7923916894982539,4.664705882352941,12.79032258064516 |
| 852,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)Cc1ccccc1-2)c1ccc([Si](C)(C)C)cc1;2->1,3.809559714635268,3.3010299956639813,2.977723605288848,3.225,6.789473684210527 |
| 956,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C(C)C)(C(C)C)C(C)C)cc1)c1ccccc1;2->1,3.113943352306837,2.591064607026499,2.230448921378274,3.333333333333333,7.647058823529412 |
| 619,<polymer_spg>[*:1]O[Si]([*:2])(C)CC;2->1,,,2.204119982655925,, |
| 878,<polymer_spg>[*:1]C(=C([*:2])c1ccccc1)c1ccccc1;2->1,3.6232492903979,,2.869231719730976,,5.675675675675675 |
| 225,<polymer_spg>[*:1]c1cc2c(cc1C)-c1cc(C)c(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc1S2(=O)=O;2->1,1.1613680022349748,-0.638272163982407,-0.431798275933005,63.04347826086956,39.18918918918919 |
| 915,<polymer_spg>[*:1]C(C)=C([*:2])C(C)C;2->1,,3.1903316981702914,2.7558748556724915,, |
| 369,<polymer_spg>[*:1]C(C)=C([*:2])C(C)C;2->1,4.041392685158225,3.462397997898956,3.123851640967086,3.793103448275862,8.270676691729323 |
| 752,<polymer_spg>[*:1]Cc1ccc(C[*:2])c(C#N)c1;2->1,-0.5214335044061567,,,, |
| 339,<polymer_spg>[*:1]c1ccc(N(c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1;2->1,1.0707764628434346,0.093421685162235,-0.3467874862246563,9.491935483870968,26.155555555555555 |
| 419,<polymer_spg>[*:1]CC([*:2])C(=O)OCCCCCCCCCCCCCC;2->1,2.4727564493172123,1.813580988568192,1.3443922736851108,4.56221198156682,13.43891402714932 |
| 761,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(-c6nc7cc(Cc8ccc9nc([*:2])oc(=O)c9c8)ccc7c(=O)o6)cc5C4=O)cc3)cc1)C2=O;2->1,-0.585026652029182,,-2.275724130399211,,49.0566037735849 |
| 603,<polymer_spg>[*:1]N=P([*:2])(C)c1ccccc1;2->1,0.8129133566428556,-0.1549019599857432,-0.2218487496163564,9.285714285714286,10.833333333333334 |
| 924,<polymer_spg>[*:1]C(C)=C([*:2])CCCCCCCC;2->1,2.462397997898956,1.919078092376074,1.462397997898956,3.4939759036144578,10.0 |
| 265,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc(Oc6ccc7c(c6)C(=O)N([*:2])C7=O)cc5)cc4C3=O)c(C)c2C)c(C)c1C;2->1,0.3541084391474008,-1.393618634889395,-1.1999706407558657,55.94059405940594,35.8161648177496 |
| 454,<polymer_spg>[*:1]Oc1c(Br)cc(C(C)(C)c2cc(Br)c(OC(=O)c3cccc(C([*:2])=O)c3)c(Br)c2)cc1Br;2->1,0.69284691927723,-0.8477116556169435,-0.744727494896694,34.71830985915493,27.38888888888889 |
| 63,<polymer_spg>[*:1]c1ccc(-c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(C)c2)cc1C;2->1,1.230448921378274,-0.4788619162959637,-0.2487208960166577,51.20481927710844,30.141843971631207 |
| 842,<polymer_spg>[*:1]C(C)=C([*:2])SCCCCCC;2->1,2.1760912590556813,1.6532125137753435,1.146128035678238,3.333333333333333,10.714285714285714 |
| 360,<polymer_spg>[*:1]c1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)cc2)cc1;2->1,0.4313637641589873,-1.2291479883578558,-1.0,45.76271186440678,27.0 |
| 237,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(OC(=O)c4cc(C([*:2])=O)cc(C(C)(C)C)c4)cc3)c3ccccc3-c3ccccc32)cc1;2->1,1.5658478186735176,0.3754807146185724,0.2855573090077737,15.501263689974724,19.067357512953368 |
| 112,<polymer_spg>[*:1]CC([*:2])(C)C(=O)OC;2->1,-0.4424927980943421,-2.2596373105057563,-1.9318141382538383,65.63636363636364,30.85470085470085 |
| 773,<polymer_spg>[*:1]c1ccc(C(c2ccc(-c3nc4cc(C(c5ccc6oc([*:2])nc6c5)(C(F)(F)F)C(F)(F)F)ccc4o3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.7853298350107671,0.2041199826559248,0.5314789170422551,38.125,17.941176470588236 |
| 532,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc([*:2])cc1C(F)(F)F)C2=O;2->1,1.15106325335375,-0.4436974992327127,-0.3979400086720376,39.333333333333336,35.4 |
| 577,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc6c(c5)C(C)(C5CCCCC5)CC6(c5ccc(C(=O)c6ccc([*:2])cc6)cc5)C5CCCCC5)cc4)cc3)CCCCC2)cc1;2->1,0.8686444383948257,,-0.5376020021010439,,25.48275862068965 |
| 126,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C([*:2])=O)cc3)cc2)cc1;2->1,1.0969100130080565,-0.1337126609158051,-0.1972262747080243,17.006802721088437,19.68503937007874 |
| 259,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc(Oc6ccc7c(c6)C(=O)N([*:2])C7=O)cc5)cc4C3=O)cc2)cc1;2->1,,,-1.4436974992327127,, |
| 823,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)CCC;2->1,2.361727836017593,1.6434526764861874,1.3222192947339193,5.227272727272728,10.952380952380953 |
| 900,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc([Si](C)(C)C)cc1;2->1,3.278753600952829,2.6989700043360187,2.278753600952829,3.8,10.0 |
| 137,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)cc2)cc1;2->1,1.383815365980431,0.1553360374650618,0.0681858617461616,16.923076923076923,20.683760683760685 |
| 951,<polymer_spg>[*:1]C1C([*:2])C2CC1C1C2C([Si](C)(C)C)C1[Si](C)(C)C;2->1,4.052309099647323,3.521138083704036,3.093421685162235,3.397590361445783,9.096774193548388 |
| 7,<polymer_spg>[*:1]Oc1ccc(C(=O)c2ccccc2-c2ccccc2C(=O)c2ccc(Oc3ccc(C(c4ccc([*:2])cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1;2->1,0.4941545940184428,-1.0604807473813815,-0.835647144215563,35.862068965517246,21.36986301369864 |
| 502,<polymer_spg>[*:1]N=C1C=CC(=Nc2ccc(Nc3ccc(Nc4ccc([*:2])cc4)cc3)cc2)C=C1;2->1,-0.0409586076789063,,-1.5228787452803376,,30.333333333333336 |
| 631,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.6720978579357175,-1.0969100130080565,-0.8239087409443188,58.75,31.333333333333336 |
| 926,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)C)cc1)c1ccccc1;2->1,3.662757831681574,,2.740362689494244,,8.363636363636363 |
| 1010,<polymer_spg>[*:1]CCOC(=O)c1ccc2cc(C(=C)O[*:2])ccc2c1;2->1,-1.744727494896694,,-2.769551078621726,,10.588235294117649 |
| 947,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C;2->1,4.534026106056135,4.187520720836463,3.7993405494535817,2.220779220779221,5.428571428571429 |
| 407,<polymer_spg>[*:1]c1cc(C)c(Oc2cc(C)c([*:2])c(C)c2C(O)(C(F)(F)F)C(F)(F)F)c(C)c1;2->1,1.9493900066449128,,0.3010299956639812,,44.5 |
| 764,<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 |
| 353,<polymer_spg>[*:1]c1ccc(C(C)(C)c2ccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)cc2)cc1;2->1,1.4279727136082088,-0.0457574905606751,0.1760912590556812,29.766666666666666,17.86 |
| 153,<polymer_spg>[*:1]c1ccc(N(c2ccccc2)c2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,0.6720978579357175,-0.7825160557860937,-0.707743928643524,28.484848484848484,23.97959183673469 |
| 566,<polymer_spg>[*:1]CC([*:2])C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;2->1,2.716003343634799,1.7558748556724917,1.7323937598229686,9.12280701754386,9.62962962962963 |
| 542,<polymer_spg>[*:1]CC([*:2])c1ccc(C(C)(C)C)cc1;2->1,2.146128035678238,1.2227164711475833,0.9242792860618816,8.383233532934133,16.666666666666664 |
| 343,<polymer_spg>[*:1]CC([*:2])C(=O)OC;2->1,0.9813655090785444,-0.5376020021010439,-0.619788758288394,33.03448275862069,39.91666666666667 |
| 990,<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->1,2.63558426631123,1.2174839442139065,1.3159703454569178,26.187878787878788,20.8743961352657 |
| 612,<polymer_spg>[*:1]C(F)(F)C([*:2])(F)F;2->1,1.1038037209559568,,,, |
| 1047,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(C)CCC7(C)c4cc5oc6cc7c(=O)n([*:2])c(=O)c7cc6oc5cc43)c3ccccc23)c2ccccc12;2->1,3.90687353472207,2.8494194137969,2.681241237375587,11.414427157001414,16.8125 |
| 920,<polymer_spg>[*:1]C(C)=C([*:2])CCC;2->1,2.0791812460476247,1.3222192947339193,1.0791812460476249,5.714285714285714,10.0 |
| 56,<polymer_spg>[*:1]c1ccc(N(c2ccccc2)c2ccc(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->1,1.3617278360175928,-0.1674910872937636,0.093421685162235,33.8235294117647,18.548387096774192 |
| 400,<polymer_spg>[*:1]Oc1c(C)cc([*:2])cc1C;2->1,1.7075701760979365,0.3617278360175928,0.6627578316815741,22.17391304347826,11.08695652173913 |
| 572,<polymer_spg>[*:1]CC([*:2])[Si](C)(C)C;2->1,2.278753600952829,1.255272505103306,1.0413926851582251,10.555555555555555,17.272727272727273 |
| 473,<polymer_spg>[*:1]Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)c3ccc(C([*:2])=O)cc3)c(C)c2)cc1C;2->1,0.6720978579357175,0.1205739312058498,0.1553360374650618,3.560606060606061,3.286713286713287 |
| 468,<polymer_spg>[*:1]Oc1ccc(C(=O)c2ccc(Oc3ccc([*:2])c(C(C)(C)C)c3)cc2)cc1;2->1,0.667452952889954,-0.6556077263148893,-0.6635402661514705,21.04072398190045,21.42857142857143 |
| 722,<polymer_spg>[*:1]Nc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(C)(C)CC6(C)c5ccc(C([*:2])=O)cc5)cc4)cc3)cc2)cc1;2->1,0.9822712330395684,-0.4814860601221125,-0.5086383061657274,29.09090909090909,30.96774193548387 |
| 740,<polymer_spg>[*:1]Nc1ccc(C(c2ccc(NC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.3434085938038574,-0.1426675035687315,0.0253058652647702,30.625000000000004,20.80188679245283 |
| 504,<polymer_spg>[*:1]N=C1C=CC(=Nc2ccc(Nc3ccc(Nc4ccc([*:2])cc4OCC)cc3OCC)cc2OCC)C=C1OCC;2->1,0.3463529744506387,,-0.9706162223147904,,20.74766355140187 |
| 844,<polymer_spg>[*:1]C(C)=C([*:2])SCCCCCCCCCC;2->1,2.278753600952829,1.7634279935629371,1.2041199826559248,3.2758620689655173,11.875 |
| 720,<polymer_spg>[*:1]Nc1ccc(NC(=O)c2ccc3c(c2)C(C)(C)CC3(C)c2ccc(C([*:2])=O)cc2)cc1;2->1,0.9493900066449128,-0.744727494896694,-0.6020599913279624,49.44444444444445,35.6 |
| 648,<polymer_spg>[*:1]Oc1cc(C)c(C2(c3cc(C(C)C)c(Oc4ccc(S(=O)(=O)c5ccc([*:2])cc5)cc4)cc3C)OC(=O)c3ccccc32)cc1C(C)C;2->1,1.287801729930226,-0.0324520237811379,-0.1555228242543186,20.9051724137931,27.75393419170243 |
| 550,<polymer_spg>[*:1]CC([*:2])c1ccc(C[Si](C)(C)C)cc1;2->1,2.014940349792937,,0.8195439355418687,,15.681818181818183 |
| 300,<polymer_spg>[*:1]C=C(C[*:2])C(=O)OCCOCCOCC;2->1,2.123851640967086,1.0569048513364727,0.5563025007672873,11.666666666666666,36.94444444444444 |
| 745,<polymer_spg>[*:1]Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)CN4C(=O)c5ccc(C([*:2])=O)cc5C4=O)cc3)cc2)cc1;2->1,-0.1255181823005335,-1.8239087409443189,-1.6989700043360187,49.93333333333334,37.45 |
| 736,<polymer_spg>[*:1]Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3cc(C([*:2])=O)cc(-c4ccccc4)c3)cc2)cc1;2->1,0.505149978319906,-0.958607314841775,-0.8860566476931632,29.090909090909093,24.615384615384617 |
| 570,<polymer_spg>[*:1]CC([*:2])OC(=O)c1cccc(C)c1;2->1,0.3283796034387377,-0.9281179926938746,-1.0579919469776868,18.05084745762712,24.34285714285714 |
| 163,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c(C)c2)cc1C;2->1,0.1492191126553798,-1.5559552040819238,-1.316052869248488,50.71942446043165,29.192546583850927 |
| 636,<polymer_spg>[*:1]Oc1ccc(Cc2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.6532125137753437,-0.7258421507363202,-0.6989700043360187,23.93617021276596,22.5 |
| 666,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)c(C(O)(C(F)(F)F)C(F)(F)F)c2)cc1C(O)(C(F)(F)F)C(F)(F)F;2->1,0.7323937598229685,,-0.6575773191777937,,24.545454545454547 |
| 336,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(-c3cc(C)c(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N([*:2])C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)cc2C)cc1C;2->1,2.369215857410143,1.089905111439398,1.1271047983648077,19.02439024390244,17.46268656716418 |
| 59,<polymer_spg>[*:1]c1cc2c(cc1C)-c1cc(C)c(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc1S2(=O)=O;2->1,1.9590413923210936,0.3996737214810381,0.7109631189952758,36.25498007968128,17.704280155642024 |
| 916,<polymer_spg>[*:1]C(C)=C([*:2])C(C)C;2->1,,3.0791812460476247,2.7781512503836434,, |
| 53,<polymer_spg>[*:1]c1ccc2c(c1)Cc1cc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)ccc1-2;2->1,1.507855871695831,-0.2006594505464183,0.1024337056813363,51.11111111111112,25.43443917851501 |
| 490,<polymer_spg>[*:1]Oc1c(C)cc(-c2cc(C)c(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)c(C)c2)cc1C;2->1,1.5024271199844328,0.1038037209559568,0.08278537031645,25.03937007874016,26.280991735537192 |
| 874,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)CCCCCCCC)cc1)c1ccccc1;2->1,2.230448921378274,,1.0413926851582251,,15.454545454545457 |
| 449,<polymer_spg>[*:1]CC([*:2])(C)C(=O)OC;2->1,-0.3819519032879073,-2.193820026016113,-1.8860566476931635,64.84375,31.923076923076923 |
| 776,<polymer_spg>[*:1]c1ccc(C(=O)c2ccc(-c3nc4cc(C(C)(C)c5ccc6oc([*:2])nc6c5)ccc4o3)cc2)cc1;2->1,0.4313637641589873,-1.0655015487564323,-0.9208187539523752,31.39534883720931,22.500000000000004 |
| 437,<polymer_spg>[*:1]Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc21;2->1,1.276461804173244,0.0569048513364725,0.0,16.57894736842105,18.9 |
| 670,<polymer_spg>[*:1]Oc1c(C)cc(C(c2cc(C)c(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C;2->1,1.8573324964312683,,0.6020599913279624,,18.0 |
| 563,<polymer_spg>[*:1]CC([*:2])OCc1ccccc1;2->1,1.0453229787866574,,-0.1023729087095585,,14.050632911392404 |
| 793,<polymer_spg>[*:1]C[Si]([*:2])(C)C;2->1,,2.113943352306837,1.6020599913279625,, |
| 993,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.6989700043360189,-0.6989700043360187,-0.744727494896694,25.0,27.77777777777778 |
| 219,<polymer_spg>[*:1]Oc1c(C)cc(C2(c3cc(C)c(OC(=O)c4cc(C([*:2])=O)cc(C(C)(C)C)c4)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br;2->1,1.8512583487190752,0.5185139398778874,0.5092025223311029,21.51515151515152,21.981424148606813 |
| 897,<polymer_spg>[*:1]C(=C([*:2])c1ccc(-c2ccc([Si](C)(C)C)cc2)cc1)c1ccccc1;2->1,3.342422680822206,2.6532125137753435,2.204119982655925,4.888888888888889,13.75 |
| 586,<polymer_spg>[*:1]OC1OC(COCC)C(OC2OC(COCC)C([*:2])C(OCC)C2OCC)C(OCC)C1O;2->1,1.9590413923210936,0.9637878273455552,0.6334684555795865,9.891304347826088,21.16279069767442 |
| 282,<polymer_spg>[*:1]c1cc(C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c1;2->1,1.0425755124401903,-0.4436974992327127,-0.2518119729937995,30.63888888888889,19.69642857142857 |
| 348,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-n5c(=O)c6cc7c(=O)n([*:2])c(=O)c7cc6c5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1;2->1,1.0718820073061257,-0.4436974992327127,-0.1804560644581313,32.77777777777778,17.87878787878788 |
| 758,<polymer_spg>[*:1]Cc1ccc(C[*:2])c(Cl)c1;2->1,-1.3334820194451191,,-2.221848749616356,,7.733333333333332 |
| 4,<polymer_spg>[*:1]Oc1cccc2c(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cccc12;2->1,0.2041199826559248,-1.4436974992327127,-1.2441251443275083,44.44444444444445,28.070175438596493 |
| 1020,<polymer_spg>[*:1]c1c(C)cc(C)c2c1CN1CN2Cc2c1c(C)cc(C)c2N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N([*:2])C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O;2->1,2.7745169657285498,1.4913616938342726,1.5314789170422551,19.193548387096776,17.5 |
| 463,<polymer_spg>[*:1]Oc1c(Br)cc(C(c2cc(Br)c(OC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br;2->1,1.929929560084588,0.526339277389844,0.6503075231319364,25.32738095238096,19.03803131991052 |
| 862,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccccc1;2->1,4.230448921378274,3.959041392321093,3.5185139398778875,1.868131868131868,5.151515151515151 |
| 728,<polymer_spg>[*:1]Nc1ccc(C(C)(C)c2ccc(NC(=O)c3ccc(Oc4cc(C(C)(C)C)c(Oc5ccc(C([*:2])=O)cc5)cc4C(C)(C)C)cc3)c(C)c2)cc1C;2->1,1.3222192947339193,-0.0457574905606751,-0.0915149811213502,23.33333333333333,25.925925925925924 |
| 982,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(c4ccccc4-c4cc6c(cc43)C(=O)N([*:2])C6=O)c3ccccc3-5)c3ccccc23)c2ccccc12;2->1,3.824386202318774,2.7641761323903307,2.56702636615906,11.487091222030982,18.08672086720868 |
| 517,<polymer_spg>[*:1]OC(=O)Oc1ccc(C(C)(C)c2ccc([*:2])cc2)cc1;2->1,0.8976270912904415,,-0.4828041020500256,,24.012158054711247 |
| 653,<polymer_spg>[*:1]Oc1c(C)cc(C2(c3ccc(Oc4ccc(S(=O)(=O)c5ccc([*:2])cc5)cc4)cc3)CCCCC2)cc1C;2->1,0.146128035678238,-1.3979400086720375,-1.2448877336049289,35.0,24.604569420035148 |
| 573,<polymer_spg>[*:1]Oc1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc5c(c4)C(C)(C4CCCCC4)CC5(c4ccc(C(=O)c5ccc([*:2])cc5)cc4)C4CCCCC4)cc3)cc2)cc1;2->1,0.6211762817750351,,-0.6777807052660807,,19.904761904761905 |
| 647,<polymer_spg>[*:1]Oc1cc(C)c(C2(c3cc(C)c(Oc4ccc(S(=O)(=O)c5ccc([*:2])cc5)cc4)cc3C)OC(=O)c3ccccc32)cc1C;2->1,0.8859263398014311,-0.6478174818886375,-0.6968039425795111,34.17777777777778,38.25870646766169 |
| 981,<polymer_spg>[*:1]=CC1CC(C=[*:2])C2C1CC2[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C;2->1,2.9190780923760737,2.255272505103306,1.740362689494244,4.611111111111111,15.090909090909092 |
| 998,<polymer_spg>[*:1]=CC1OC(C=[*:2])C2C(=O)N(c3c(F)c(F)c(F)c(F)c3F)C(=O)C12;2->1,1.212187604403958,0.0530784434834196,0.0334237554869497,14.42477876106195,15.092592592592592 |
| 534,<polymer_spg>[*:1]CC([*:2])(C)C(=O)OC(C)(C)C;2->1,1.1789769472931697,-0.1432711096171174,-0.114638779968488,21.001390820584145,19.66145833333333 |
| 1011,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.0791812460476249,-0.2636034977233575,-0.1765257708296989,22.01834862385321,18.01801801801802 |
| 276,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,,,-1.5528419686577808,, |
| 284,<polymer_spg>[*:1]CC(C#N)(C#N)CC([*:2])OC(C)=O;2->1,,,-1.958607314841775,, |
| 470,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(Sc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,,,-1.5686362358410126,, |
| 426,<polymer_spg>[*:1]CC([*:2])Cl;2->1,-0.2676062401770314,-1.619788758288394,-1.6575773191777938,22.5,24.545454545454547 |
| 281,<polymer_spg>[*:1]c1ccc(OC)c(Oc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)c1;2->1,,,-1.3979400086720375,, |
| 715,<polymer_spg>[*:1]c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc2ccc(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->1,0.7573960287930241,-0.9208187539523752,-0.5686362358410126,47.66666666666666,21.185185185185183 |
| 120,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc2)cc1;2->1,0.3222192947339193,,-1.0457574905606752,,23.333333333333336 |
| 593,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC([*:2])=O)cc2)cc1;2->1,-0.2924298239020636,-1.5228787452803376,,17.0, |
| 1068,<polymer_spg>[*:1]c1cc(C(c2ccc(O)c(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O;2->1,0.99563519459755,-1.0969100130080565,-0.4436974992327127,123.75,27.500000000000004 |
| 13,<polymer_spg>[*:1]Oc1ccc(Oc2ccc(C(=O)c3ccc([*:2])cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1;2->1,0.1760912590556812,-1.3872161432802643,-1.2924298239020635,36.58536585365854,29.411764705882355 |
| 1001,<polymer_spg>[*:1]C=C([*:2])[Si](C)(C)C;2->1,2.278753600952829,1.255272505103306,1.0413926851582251,10.555555555555555,17.272727272727273 |
| 455,<polymer_spg>[*:1]Oc1c(Br)cc(C(C)(C)c2cc(Br)c(OC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)c(Br)c2)cc1Br;2->1,1.3324384599156054,-0.0690509688324769,-0.045275209020937,25.205158264947247,23.862375138734738 |
| 584,<polymer_spg>[*:1]OC1OC(COCC)C([*:2])C(O)C1OCC;2->1,2.041392685158225,1.0791812460476249,0.6989700043360189,9.166666666666666,22.0 |
| 147,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1;2->1,0.865103974641128,-0.6655462488490691,-0.5157001606532142,33.93518518518518,24.0327868852459 |
| 160,<polymer_spg>[*:1]c1ccc(S(=O)c2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,0.2430380486862944,-1.3990271043132518,-1.30189945437661,43.85964912280702,35.07014028056112 |
| 1065,<polymer_spg>[*:1]c1cc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c(O)cc1O;2->1,0.9138138523837168,-1.0969100130080565,-0.5376020021010439,102.5,28.27586206896552 |
| 748,<polymer_spg>[*:1]Cc1ccc(C[*:2])cc1;2->1,0.1335389083702175,,-1.2660007134616131,,25.092250922509223 |
| 788,<polymer_spg>[*:1]c1ccc(-c2ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc2)cc1;2->1,2.672097857935717,1.5314789170422551,1.6127838567197357,13.823529411764708,11.46341463414634 |
| 825,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)CCCCCCCC;2->1,2.0,1.1139433523068367,1.2787536009528289,7.6923076923076925,5.2631578947368425 |
| 195,<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 |
| 191,<polymer_spg>[*:1]c1c(C)cc(C)c(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c1C;2->1,,,0.0,, |
| 628,<polymer_spg>[*:1]O[Si](C)(C)CCCCCCCC[Si]([*:2])(C)C;2->1,,,1.8819549713396004,, |
| 536,<polymer_spg>[*:1]CC([*:2])c1ccc(C)cc1;2->1,1.4742162640762553,0.3424226808222063,0.1760912590556812,13.545454545454543,19.866666666666667 |
| 983,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(c4ccccc4-c4cc6c(cc43)C(=O)N([*:2])C6=O)c3ccccc3-5)c3ccccc23)c2ccccc12;2->1,3.6720978579357175,2.513217600067939,2.3541084391474008,14.417177914110429,20.79646017699115 |
| 164,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,,,-1.853871964321762,, |
| 106,<polymer_spg>[*:1]c1ccc(Sc2ccc(Sc3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N([*:2])C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc2)cc1;2->1,0.9503648543761232,-0.5528419686577808,-0.4685210829577448,31.85714285714285,26.23529411764705 |
| 16,<polymer_spg>[*:1]Oc1ccc(Oc2cccc([*:2])c2C#N)c(-c2cccc(C)c2)c1;2->1,0.2787536009528289,-1.3010299956639813,-1.154901959985743,37.99999999999999,27.14285714285714 |
| 575,<polymer_spg>[*:1]Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc5c(c4)C(C)(C4CCCCC4)CC5(c4ccc(C(=O)c5ccc([*:2])cc5)cc4)C4CCCCC4)cc3)cc2)cc1;2->1,0.8095597146352678,,-0.3767507096020995,,15.357142857142858 |
| 617,<polymer_spg>[*:1]C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C([*:2])(F)F;2->1,1.5440680443502757,0.3010299956639812,0.6989700043360189,17.5,7.0 |
| 785,<polymer_spg>[*:1]c1ccc(-c2ccc(-c3ccc(C([*:2])(c4ccccc4)C(F)(F)F)cc3)cc2)cc1;2->1,2.342422680822206,1.1139433523068367,0.9542425094393248,16.923076923076923,24.444444444444443 |
| 540,<polymer_spg>[*:1]CC([*:2])c1ccc(Br)cc1;2->1,0.9294189257142929,-0.3187587626244128,-0.494850021680094,17.708333333333336,26.5625 |
| 329,<polymer_spg>[*:1]=CC1CC(C=[*:2])C(C(F)(F)F)(C(F)(F)F)C1(F)F;2->1,2.3010299956639813,1.1139433523068367,1.230448921378274,15.384615384615383,11.764705882352942 |
| 480,<polymer_spg>[*:1]Oc1c(C)cc(C2(c3cc(C)c(OC(=O)c4cc(C([*:2])=O)cc(C(C)(C)C)c4)c(C)c3)c3ccccc3-c3ccccc32)cc1C;2->1,2.041392685158225,0.8162412999917831,0.7781512503836436,16.793893129770993,18.33333333333333 |
| 498,<polymer_spg>[*:1][NH+]=C1C=CC(=[NH+]c2ccc(Nc3ccc(Nc4ccc([*:2])cc4)cc3)cc2)C=C1;[Cl-];[Cl-];2->1,-1.4559319556497243,-2.5228787452803374,-2.397940008672037,11.666666666666668,8.75 |
| 970,<polymer_spg>[*:1]c1cc(C(c2ccc(O)c(N3C(=O)c4cc5c(cc4C3=O)C3(C)c4ccccc4C5(C)c4cc5c(cc43)C(=O)N([*:2])C5=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O;2->1,1.4771212547196624,-0.3979400086720376,-0.0457574905606751,75.0,33.333333333333336 |
| 405,<polymer_spg>[*:1]c1cc(C)c(Oc2cc(C)c([*:2])c(C)c2)c(C)c1C(=O)c1ccccc1;2->1,1.155336037465062,-0.0222763947111522,0.2013971243204515,15.05263157894737,8.9937106918239 |
| 824,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)CCCC;2->1,2.0,1.230448921378274,0.9030899869919436,5.882352941176471,12.5 |
| 93,<polymer_spg>[*:1]c1cc(C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c1;2->1,1.250420002308894,-0.3565473235138126,-0.1307682802690238,40.45454545454545,24.054054054054056 |
| 433,<polymer_spg>[*:1]Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc21;2->1,1.276461804173244,0.0569048513364725,0.0,16.57894736842105,18.9 |
| 83,<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->1,2.568201724066995,1.24551266781415,1.469822015978163,21.02272727272727,12.542372881355933 |
| 939,<polymer_spg>[*:1]O[Si](C)(C)CC[Si]([*:2])(C)C;2->1,3.274850320016665,2.775974331129369,2.230448921378274,3.154103852596315,11.076470588235294 |
| 865,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(F)c(F)c1;2->1,4.414973347970818,4.079181246047625,3.707570176097936,2.1666666666666665,5.098039215686274 |
| 710,<polymer_spg>[*:1]CCCCCCCCCCC(=O)N[*:2];2->1,0.0,,,, |
| 657,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C(C)(C)c5ccc([*:2])cc5)cc4)cc3)cc2)cc1;2->1,0.8325089127062363,-0.4685210829577448,-0.4934949675951279,20.0,21.18380062305296 |
| 414,<polymer_spg>[*:1]Oc1ccc(Cc2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.6532125137753437,-0.721246399047171,-0.6989700043360187,23.684210526315788,22.5 |
| 662,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(c4ccccc4)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.9095560292411752,-0.494850021680094,-0.5559552040819237,25.375,29.208633093525176 |
| 1066,<polymer_spg>[*:1]c1c(O)ccc2c1CN1CN2Cc2c1ccc(O)c2N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N([*:2])C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O;2->1,1.8260748027008264,-0.0362121726544447,0.3541084391474008,72.82608695652173,29.646017699115045 |
| 978,<polymer_spg>[*:1]C1C2CC(CCCCCCCCCC)C(C2)C1[*:2];2->1,2.045714058940868,1.4487063199050798,0.9395192526186184,3.95373665480427,12.770114942528735 |
| 804,<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->1,3.7710727832211934,2.4149733479708178,2.544068044350276,22.70384615384616,16.865714285714287 |
| 1021,<polymer_spg>[*:1]c1c(C)cc(C)c2c1CN1CN2Cc2c1c(C)cc(C)c2N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N([*:2])C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O;2->1,2.575187844927661,1.255272505103306,1.2787536009528289,20.88888888888889,19.789473684210527 |
| 832,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)C)cc1)c1ccccc1;2->1,3.6720978579357175,3.1760912590556813,2.716003343634799,3.1333333333333333,9.038461538461538 |
| 322,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc([*:2])cc5)cc4)cc3)OC(=O)c3ccccc32)cc1;2->1,0.436162647040756,-1.0851281824599497,-0.8153085691824012,33.21167883211679,17.84313725490196 |
| 556,<polymer_spg>[*:1]C(C(=O)OC1CCCCC1)C([*:2])C(=O)OC(C)(C)C;2->1,,,0.6989700043360189,, |
| 357,<polymer_spg>[*:1]c1ccc(Oc2cccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)c2)cc1;2->1,0.0484418035504045,-1.58838029403677,-1.342944147142896,43.333333333333336,24.62555066079296 |
| 69,<polymer_spg>[*:1]c1ccc(Cc2ccc(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,,,-0.2487208960166577,, |
| 514,<polymer_spg>[*:1]OC(=O)Oc1c(Cl)cc(C(C)(C)c2cc(Cl)c([*:2])c(Cl)c2)cc1Cl;2->1,0.8234742291703011,-0.645891560852599,-0.4436974992327127,29.469026548672566,18.5 |
| 509,<polymer_spg>[*:1]C=Cc1ccc([*:2])cc1[Si](C)(C)C(C)(C)C;2->1,1.414973347970818,,0.1760912590556812,,17.333333333333332 |
| 340,<polymer_spg>[*:1]c1ccc(N(c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc1;2->1,1.11293997608408,-0.3979400086720376,-0.2291479883578558,32.425,21.98305084745763 |
| 221,<polymer_spg>[*:1]Oc1c(C)cc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)cc1C;2->1,0.3222192947339193,-1.154901959985743,-1.0409586076789064,30.0,23.07692307692308 |
| 1032,<polymer_spg>[*:1]c1cc(C)c2c(c1)CN1CN2Cc2cc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc(C)c21;2->1,1.1271047983648077,-0.431798275933005,-0.3010299956639812,36.21621621621622,26.8 |
| 146,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1;2->1,0.6954816764901974,-0.8386319977650252,-0.6108339156354675,34.20689655172414,20.244897959183675 |
| 289,<polymer_spg>[*:1]=CC1CC(C=[*:2])C2C(=O)N(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)C12;2->1,1.8277568629786167,0.631443769013172,0.6232492903979004,15.714953271028037,16.014285714285716 |
| 753,<polymer_spg>[*:1]Cc1ccc(C[*:2])c(C)c1;2->1,-0.5767541260631921,,-1.8041003475907664,,16.87898089171975 |
| 29,<polymer_spg>[*:1]c1ccc(C)c(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c1;2->1,1.4568213480215986,-0.1487416512809247,0.1172712956557642,40.32394366197183,21.85496183206107 |
| 114,<polymer_spg>[*:1]c1ccc(C(=C(Cl)Cl)c2ccc([*:2])cc2)cc1;2->1,0.7481880270062004,-0.638272163982407,-0.5686362358410126,24.34782608695652,20.740740740740737 |
| 508,<polymer_spg>[*:1]C=Cc1ccc([*:2])cc1[Si](CC)(CC)CC;2->1,1.380211241711606,,0.255272505103306,,13.333333333333332 |
| 902,<polymer_spg>[*:1]C(=C([*:2])c1ccc(-c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1;2->1,3.204119982655925,2.4149733479708178,1.977723605288848,6.153846153846154,16.842105263157894 |
| 1062,<polymer_spg>[*:1]c1cc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)ccc1O;2->1,1.0413926851582251,-0.9208187539523752,-0.431798275933005,91.66666666666669,29.72972972972973 |
| 176,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc4c(c3)C(C)(c3ccc(Oc5ccc(-c6ccc(N7C(=O)c8ccc(C(=O)c9ccc%10c(c9)C(=O)N([*:2])C%10=O)cc8C7=O)cc6)cc5C(F)(F)F)cc3)CC4(C)C)c(C(F)(F)F)c2)cc1;2->1,1.534026106056135,-0.0555173278498313,0.1205739312058498,38.86363636363637,25.90909090909091 |
| 168,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,,,-2.397940008672037,, |
| 347,<polymer_spg>[*:1]c1cccc(Oc2ccc(C(c3ccc(Oc4cccc(-n5c(=O)c6cc7c(=O)n([*:2])c(=O)c7cc6c5=O)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1;2->1,0.7867514221455612,-0.769551078621726,-0.5346171485515817,36.0,20.95890410958904 |
| 376,<polymer_spg>[*:1]=CC1CC(C=[*:2])C2C(=O)N(C34CC5CC(CC(C5)C3)C4)C(=O)C12;2->1,0.9237619608287004,-0.2365720064370627,-0.3010299956639812,14.465517241379311,16.78 |
| 847,<polymer_spg>[*:1]C=C([*:2])c1ccccc1[Si](C)(C)C;2->1,2.462397997898956,1.57978359661681,1.380211241711606,7.631578947368421,12.083333333333334 |
| 1005,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc([*:2])cc5)cc4)cc3)c3ccccc3C(=O)N2CCC)cc1;2->1,0.6493348587121419,-0.8068754016455384,-0.6307841425898572,28.58974358974359,19.05982905982906 |
| 949,<polymer_spg>[*:1]C1C2CC(C1[*:2])C([Si](C)(C)C)C2;2->1,3.663229634532868,3.037027879755775,2.615950051656401,4.228650137741047,11.150121065375302 |
| 857,<polymer_spg>[*:1]C(=C([*:2])c1cccc(O[Si](C)(C)C(C)(C)C)c1)c1ccc(C(C)(C)C)cc1;2->1,3.857332496431269,3.5185139398778875,3.113943352306837,2.1818181818181817,5.538461538461538 |
| 189,<polymer_spg>[*:1]c1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c1;2->1,-0.368556230986828,-2.065501548756432,-1.7958800173440752,49.76744186046511,26.75 |
| 136,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc2)cc1;2->1,0.7481880270062004,-0.5686362358410126,-0.5528419686577808,20.740740740740737,20.0 |
| 446,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc([Si](C)(C)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,,,-1.2365720064370629,, |
| 934,<polymer_spg>[*:1]O[Si]([*:2])(C)CCC;2->1,3.204119982655925,2.7558748556724915,2.255272505103306,2.807017543859649,8.88888888888889 |
| 254,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc(Oc6ccc7c(c6)C(=O)N([*:2])C7=O)cc5)cc4C3=O)c(C)c2)cc1C;2->1,0.220108088040055,-1.679853713888946,-1.4473317838878068,79.42583732057416,46.4985994397759 |
| 984,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(c4ccccc4-c4cc6c(cc43)C(=O)N([*:2])C6=O)c3ccccc3-5)c3ccccc23)c2ccccc12;2->1,3.484157424365381,2.298853076409707,2.155336037465062,15.321608040201005,21.321678321678323 |
| 290,<polymer_spg>[*:1]Oc1ccc(C(=O)c2ccc(-c3ccc(C(=C)c4ccc(Oc5ccc(C(C)(C)c6ccc([*:2])cc6)cc5)cc4)cc3)cc2)cc1;2->1,0.5185139398778874,-0.8538719643217619,-0.8860566476931632,23.57142857142857,25.384615384615383 |
| 459,<polymer_spg>[*:1]c1c(C)c(C)c(N2C(=O)c3ccc(Oc4cc(C(C)(C)C)ccc4Oc4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c(C)c1C;2->1,1.8512583487190752,0.4913616938342727,0.4065401804339551,22.90322580645161,27.84313725490196 |
| 768,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(CC(C)(C)c4cc5oc6cc8c(=O)n([*:2])c(=O)c8cc6oc5cc43)CC7(C)C)c3ccccc23)c2ccccc12;2->1,3.568201724066995,2.4149733479708178,2.204119982655925,14.23076923076923,23.125 |
| 952,<polymer_spg>[*:1]C1C([*:2])C2CC1C1CC([Ge](C)(C)C)C21;2->1,3.5854607295085006,2.792391689498254,2.380211241711606,6.209677419354839,16.041666666666668 |
| 767,<polymer_spg>[*:1]c1cccc2c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(CC(C)(C)c4cc5oc6cc8c(=O)n([*:2])c(=O)c8cc6oc5cc43)CC7(C)C)cccc12;2->1,2.7075701760979363,1.4313637641589874,1.2787536009528289,18.88888888888889,26.84210526315789 |
| 232,<polymer_spg>[*:1]Oc1ccc(-c2cncc(-c3ccc(Oc4ccc(C5(c6ccc([*:2])cc6)c6ccccc6-c6ccccc65)cc4)c(C(F)(F)F)c3)c2)cc1C(F)(F)F;2->1,1.5526682161121932,0.255272505103306,0.2988530764097066,19.833333333333336,17.939698492462313 |
| 645,<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 |
| 33,<polymer_spg>[*:1]c1cccc(Oc2ccc(C(c3ccc(Oc4cccc(N5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N([*:2])C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1;2->1,0.7993405494535817,-0.8860566476931632,-0.619788758288394,48.46153846153846,26.25 |
| 88,<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->1,1.3424226808222062,-0.2757241303992109,-0.0291883891274822,41.50943396226415,23.52941176470588 |
| 1036,<polymer_spg>[*:1]c1ccc2c(c1)C1c3ccccc3C2c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc21;2->1,2.0791812460476247,0.505149978319906,0.6720978579357175,37.5,25.53191489361702 |
| 44,<polymer_spg>[*:1]c1ccc(C(C)(C)c2cccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c2)cc1;2->1,1.0293837776852095,-0.6635402661514705,-0.3251388592621884,49.30875576036866,22.6215644820296 |
| 341,<polymer_spg>[*:1]c1cc(C(c2ccc(O)c(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O;2->1,0.9900278987702948,-1.1023729087095586,-0.4089353929735008,123.70886075949366,25.05897435897436 |
| 61,<polymer_spg>[*:1]c1ccc(S(=O)(=O)c2ccc(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->1,1.2041199826559248,-0.4685210829577448,-0.2168113089247424,47.05882352941176,26.35914332784185 |
| 1048,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(C)CCC7(C)c4cc5oc6cc7c(=O)n([*:2])c(=O)c7cc6oc5cc43)c3ccccc23)c2ccccc12;2->1,3.651278013998144,2.484299839346786,2.3541084391474008,14.688524590163937,19.82300884955752 |
| 199,<polymer_spg>[*:1]c1ccc(Cc2ccc(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,,,-0.7851561519523022,, |
| 429,<polymer_spg>[*:1]N=P([*:2])(OCC(F)(F)F)OCC(F)(F)F;2->1,2.761927838420529,1.7611758131557314,1.715167357848458,10.017331022530328,11.13680154142582 |
| 901,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1cc([Si](C)(C)C)ccc1-2)c1ccccc1;2->1,4.2552725051033065,4.0,3.531478917042255,1.8,5.294117647058823 |
| 394,<polymer_spg>[*:1]Oc1c(C)cc([*:2])cc1C;2->1,1.7185016888672742,0.5797835966168101,0.5563025007672873,13.763157894736842,14.527777777777777 |
| 1059,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3Cc4cc6c(cc4C(C5)C3)C(=O)N([*:2])C6=O)c3ccccc23)c2ccccc12;2->1,2.9003671286564705,1.5587085705331658,1.510545010206612,21.961325966850826,24.53703703703704 |
| 799,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(N)c3)cc1N)C2=O;2->1,2.133538908370217,,0.7160033436347992,,26.15384615384616 |
| 1054,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(C)CCC7(C)c4cc5oc6cc7c(=O)n([*:2])c(=O)c7cc6oc5cc43)c3ccccc23)c2ccccc12;2->1,3.5566642621225686,2.2671717284030137,2.2095150145426308,19.475675675675674,22.24074074074074 |
| 730,<polymer_spg>[*:1]Nc1c(C)cc(Cc2cc(C)c(NC(=O)c3ccc(Oc4cc(C(C)(C)C)c(Oc5ccc(C([*:2])=O)cc5)cc4C(C)(C)C)cc3)c(C(C)C)c2)cc1C(C)C;2->1,1.4313637641589874,0.08278537031645,0.0718820073061253,22.31404958677686,22.88135593220339 |
| 814,<polymer_spg>[*:1]c1ccc(C(c2ccc(-c3nc4cc(C(c5ccc6oc([*:2])nc6c5)(C(F)(F)F)C(F)(F)F)ccc4o3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,2.103803720955957,0.7403626894942439,0.9637878273455552,23.09090909090909,13.804347826086955 |
| 297,<polymer_spg>[*:1]=CC1CC(C=[*:2])C2C(=O)N(C3CCCC3)C(=O)C12;2->1,0.9444826721501688,-0.2676062401770314,-0.3467874862246563,16.296296296296298,19.55555555555556 |
| 73,<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)c1C;2->1,1.6031443726201824,-0.0599818449923367,0.3502480183341628,46.0390355912744,17.90178571428571 |
| 393,<polymer_spg>[*:1]=CC1CC(C=[*:2])C2C(=O)C(c3ccccc3)C(=O)C12;2->1,1.0584260244570054,-0.2676062401770314,-0.5086383061657274,21.185185185185183,36.90322580645161 |
| 807,<polymer_spg>[*:1]c1cccc(-c2nc3cc(C(c4ccc5oc([*:2])nc5c4)(C(F)(F)F)C(F)(F)F)ccc3o2)c1;2->1,1.3617278360175928,-0.3010299956639812,0.0,46.0,23.0 |
| 547,<polymer_spg>[*:1]CC([*:2])c1ccc([Si](C)(C)CCC(F)(F)F)cc1;2->1,2.453318340047037,1.3424226808222062,1.0718820073061257,12.909090909090908,24.06779661016949 |
| 579,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc6c(c5)C(C)(C5CCCCC5)CC6(c5ccc(C(=O)c6ccc([*:2])cc6)cc5)C5CCCCC5)cc4)cc3)CC(C)CC(C)(C)C2)cc1;2->1,1.276461804173244,,-0.1938200260161128,,29.53125 |
| 541,<polymer_spg>[*:1]CC([*:2])c1ccc(OC)cc1;2->1,1.276461804173244,-0.0409586076789063,-0.2146701649892329,20.769230769230766,30.983606557377048 |
| 950,<polymer_spg>[*:1]C1C([*:2])C2CC1C1CC([Si](C)(C)C)C21;2->1,3.724275869600789,3.004321373782642,2.591064607026499,5.247524752475248,13.58974358974359 |
| 928,<polymer_spg>[*:1]Oc1c(C)cc([*:2])cc1C;2->1,,2.0,,, |
| 935,<polymer_spg>[*:1]O[Si]([*:2])(C)CCCCCCCC;2->1,2.9694159123539814,2.4955443375464483,1.919078092376074,2.977635782747604,11.228915662650602 |
| 821,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C;2->1,4.519827993775719,4.204119982655925,3.8260748027008256,2.06875,4.940298507462686 |
| 663,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc([*:2])cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1;2->1,1.1398790864012365,-0.2749054789185309,-0.3151546383555875,25.98870056497175,28.51239669421488 |
| 217,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)c(C)c2)cc1C;2->1,0.9030899869919436,-0.3979400086720376,-0.4056074496245733,20.0,20.35623409669212 |
| 539,<polymer_spg>[*:1]CC([*:2])c1ccc(F)cc1;2->1,1.235528446907549,0.0253058652647702,-0.0809219076239261,16.22641509433962,20.722891566265066 |
| 918,<polymer_spg>[*:1]C(C)=C([*:2])CC(C)C;2->1,2.9542425094393248,2.278753600952829,1.968482948553935,4.7368421052631575,9.67741935483871 |
| 923,<polymer_spg>[*:1]C(C)=C([*:2])CCCCCCC;2->1,2.462397997898956,1.9242792860618816,1.462397997898956,3.452380952380953,10.0 |
| 623,<polymer_spg>[*:1]O[Si]([*:2])(C)CCC(F)(F)F;2->1,,,1.9459607035775688,, |
| 668,<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,,0.041392685158225,,19.09090909090909 |
| 919,<polymer_spg>[*:1]C(C)=C([*:2])CCC(C)C;2->1,2.591064607026499,2.049218022670181,1.7075701760979365,3.482142857142857,7.647058823529412 |
| 421,<polymer_spg>[*:1]C=C(C[*:2])C(=O)OCCOCCOCCOCC;2->1,1.8715729355458788,0.6812412373755872,0.3010299956639812,15.500000000000002,37.2 |
| 694,<polymer_spg>[*:1]CCOCCS(=S)S([*:2])=S;2->1,0.4969296480732149,,,, |
| 138,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C([*:2])=O)cc3)cc2)cc1;2->1,1.0644579892269184,-0.1674910872937636,-0.2041199826559248,17.058823529411764,18.56 |
| 212,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)c(C(C)C)c2)cc1C(C)C;2->1,0.7126497016272114,-0.5157001606532142,-0.563837352959244,16.918032786885245,18.9010989010989 |
| 616,<polymer_spg>[*:1]C(F)(F)C(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1([*:2])F;2->1,3.591064607026499,2.7781512503836434,2.8976270912904414,6.5,4.936708860759493 |
| 937,<polymer_spg>[*:1]O[Si]([*:2])(C)c1ccccc1;2->1,2.378397900948137,1.5563025007672873,1.0413926851582251,6.638888888888889,21.727272727272727 |
| 933,<polymer_spg>[*:1]O[Si]([*:2])(C)CC;2->1,3.177824971864682,2.675778341674085,2.204119982655925,3.1772151898734178,9.4125 |
| 965,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(CC(C)(C)c4cc6c(cc43)C(=O)N([*:2])C6=O)CC5(C)C)c3ccccc23)c2ccccc12;2->1,3.771587480881256,2.740362689494244,2.531478917042255,10.745454545454546,17.38235294117647 |
| 727,<polymer_spg>[*:1]Nc1ccc(C(C)(C)c2ccc(NC(=O)c3ccc(Oc4cc(C(C)(C)C)c(Oc5ccc(C([*:2])=O)cc5)cc4C(C)(C)C)cc3)cc2)cc1;2->1,1.1139433523068367,-0.3279021420642826,-0.3372421683184259,27.659574468085108,28.26086956521739 |
| 709,<polymer_spg>[*:1]NCCCCCC([*:2])=O;2->1,-0.7958800173440752,,,, |
| 701,<polymer_spg>[*:1]CC=C(C[*:2])[Si](OC(C)C)(OC(C)C)OC(C)C;2->1,3.089905111439398,2.419955748489758,2.037426497940624,4.67680608365019,11.284403669724773 |
| 726,<polymer_spg>[*:1]Nc1ccc(-c2ccc(NC(=O)c3ccc4c(c3)C(C)(C)CC4(C)c3ccc(C([*:2])=O)cc3)cc2C(F)(F)F)c(C(F)(F)F)c1;2->1,1.4941545940184429,-0.0457574905606751,0.1139433523068367,34.666666666666664,24.0 |
| 1025,<polymer_spg>[*:1]c1c(C)cc2c(c1C)CN1CN2Cc2c1cc(C)c(-n1c(=O)c3cc4c(=O)n([*:2])c(=O)c4cc3c1=O)c2C;2->1,3.227629649571009,2.0569048513364727,1.99563519459755,14.81578947368421,17.060606060606062 |
| 716,<polymer_spg>[*:1]c1cccc(NC(=O)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->1,0.220108088040055,-1.3979400086720375,-1.0969100130080565,41.5,20.75 |
| 234,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(C(=O)c%10ccc%11c(c%10)C(=O)N([*:2])C%11=O)cc9C8=O)cc7)cc6C(F)(F)F)cc5)c5ccccc5-c5ccccc54)cc3)c(C(F)(F)F)c2)cc1;2->1,1.557146142318363,-0.0268721464003013,-0.0222763947111522,38.37234042553192,37.968421052631584 |
| 771,<polymer_spg>[*:1]c1cccc(-c2nc3cc(C(c4ccc5oc(-c6cccc([*:2])c6)nc5c4)(C(F)(F)F)C(F)(F)F)ccc3o2)c1;2->1,3.0060379549973173,1.6127838567197357,1.6812412373755872,24.73170731707317,21.125 |
| 67,<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->1,0.91539983521227,-0.8538719643217619,-0.4400933749638875,58.785714285714285,22.672176308539942 |
| 24,<polymer_spg>[*:1]c1ccc(-c2cc(C)c(-c3ccc([*:2])cc3C)cc2C)c(C)c1;2->1,1.505149978319906,-0.0555173278498313,0.146128035678238,36.36363636363637,22.857142857142858 |
| 381,<polymer_spg>[*:1]C1C([*:2])C2CC1C1C2C([Si](C)(C)C)C1[Si](C)(C)C;2->1,4.052309099647323,3.521138083704036,3.093421685162235,3.397590361445783,9.096774193548388 |
| 216,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)c(C)c2)cc1C;2->1,0.093421685162235,-1.3381873144627388,-1.202040356262804,27.015250544662308,19.745222929936308 |
| 812,<polymer_spg>[*:1]c1ccc(Oc2ccc(-c3nc4cc(C(c5ccc6oc([*:2])nc6c5)(C(F)(F)F)C(F)(F)F)ccc4o3)cc2)cc1;2->1,0.8512583487190752,-0.3767507096020995,-0.0861861476162833,16.904761904761905,8.658536585365853 |
| 735,<polymer_spg>[*:1]Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3cccc(C([*:2])=O)c3)cc2)cc1;2->1,-0.1079053973095195,-1.853871964321762,-1.5086383061657274,55.71428571428572,25.161290322580648 |
| 129,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(=O)c4ccc5ccccc5c4-c4c([*:2])ccc5ccccc45)cc3)cc2)cc1;2->1,0.99563519459755,-0.3269790928711038,-0.438898616350944,21.01910828025478,27.1978021978022 |
| 349,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-n5c(=O)c6cc7c(=O)n([*:2])c(=O)c7cc6c5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1;2->1,1.0718820073061257,-0.4436974992327127,-0.1817741063860445,32.77777777777778,17.933130699088146 |
| 111,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(C(C)(C)c5ccc(C(=O)c6ccc([*:2])cc6)cc5)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,0.9344984512435676,-0.4621809049267259,-0.3565473235138126,24.92753623188406,19.545454545454543 |
| 166,<polymer_spg>[*:1]c1c(C)cc(C)c(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c1C;2->1,2.1367205671564067,0.9074113607745862,0.9253120914996495,16.955445544554454,16.270783847980997 |
| 1024,<polymer_spg>[*:1]c1c(C)cc2c(c1C)CN1CN2Cc2c1cc(C)c(-n1c(=O)c3cc4c(=O)n([*:2])c(=O)c4cc3c1=O)c2C;2->1,3.649334858712142,2.591064607026499,2.462397997898956,11.435897435897436,15.379310344827584 |
| 207,<polymer_spg>[*:1]C(=O)c1ccc(C2(c3ccc(C(=O)c4ccc(Oc5ccc(C(=O)c6ccc(Oc7ccc([*:2])cc7)cc6)cc5)cc4)cc3)OC(=O)c3ccccc32)cc1;2->1,0.4913616938342727,-1.0,-1.0061230850587888,31.0,31.44016227180528 |
| 438,<polymer_spg>[*:1]Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OC(=O)c3ccc(C([*:2])=O)cc3)cc21;2->1,1.745855195173729,0.6232492903979004,0.4742162640762552,13.261904761904765,18.69127516778524 |
| 552,<polymer_spg>[*:1]C(C(=O)OC(C)C)C([*:2])C(=O)OC1CCCCC1;2->1,,,0.4771212547196624,, |
| 274,<polymer_spg>[*:1]c1cc2c(c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c1C)C(C)(C)CC2;2->1,2.206825876031849,1.0128372247051722,1.0128372247051722,15.631067961165048,15.631067961165048 |
| 945,<polymer_spg>[*:1]CC1CC(C[*:2])C2C1C([Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C2[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C;2->1,2.9242792860618816,2.3324384599156054,1.8750612633917,3.9069767441860463,11.2 |
| 591,<polymer_spg>[*:1]CCOC(=O)c1ccc2cc(C(=O)O[*:2])ccc2c1;2->1,-0.9714287473074624,,,, |
| 1028,<polymer_spg>[*:1]c1c(C)cc2c(c1C)CN1CN2Cc2c1cc(C)c(N1C(=O)c3cc4c(cc3C1=O)C1(c3ccccc3-c3cc5c(cc31)C(=O)N([*:2])C5=O)c1ccccc1-4)c2C;2->1,3.650890077856313,2.569373909615046,2.421603926869832,12.064690026954178,16.954545454545453 |
| 890,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1ccc(Cl)cc1;2->1,4.546542663478131,4.3560258571931225,3.963787827345555,1.550660792951542,3.8260869565217392 |
| 839,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C;2->1,4.44870631990508,4.161368002234975,3.741151598851785,1.9379310344827587,5.099818511796733 |
| 525,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(OC([*:2])=O)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.380211241711606,0.0170333392987803,0.2253092817258628,23.07692307692308,14.285714285714286 |
| 287,<polymer_spg>[*:1]=CC1OC(C=[*:2])C2C(=O)N(c3c(F)c(F)c(F)c(F)c3F)C(=O)C12;2->1,1.212187604403958,0.0530784434834196,0.0334237554869497,14.42477876106195,15.092592592592592 |
| 469,<polymer_spg>[*:1]OC(=O)Oc1c(Cl)cc(C(C)(C)c2cc(Cl)c([*:2])c(Cl)c2)cc1Cl;2->1,0.8260748027008264,-0.6575773191777937,-0.4436974992327127,30.454545454545457,18.61111111111111 |
| 326,<polymer_spg>[*:1]CC([*:2])(C)C(=O)OCC;2->1,0.8457180179666587,-0.4596705252091263,-0.4867823999320609,20.201729106628243,21.503067484662576 |
| 121,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc2)cc1;2->1,0.8512583487190752,-0.5100415205751654,-0.562249437179612,22.97734627831715,25.912408759124084 |
| 1073,<polymer_spg>[*:1]c1ccc(-c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(OC(C)=O)c2)cc1OC(C)=O;2->1,1.0791812460476249,-0.5086383061657274,,38.70967741935484, |
| 507,<polymer_spg>[*:1]c1cc(CCCCCCCCCCCC)c(-c2sc(-c3cc(CCCCCCCCCCCC)c(-c4sc(-c5cc(CCCCCCCCCCCC)c([*:2])s5)cc4CCCCCCCCCCCC)s3)cc2CCCCCCCCCCCC)s1;2->1,1.94546858513182,,0.9731278535996988,,9.382978723404255 |
| 228,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,,,-1.5686362358410126,, |
| 1014,<polymer_spg>[*:1]c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N3C(=O)c4cc5c(cc4C3=O)OC3C=C4C(=CC3O5)C(C)(C)CC43CC(C)(C)c4cc5oc6cc7c(=O)n([*:2])c(=O)c7cc6oc5cc43)cc21;2->1,2.788168371141168,1.6138418218760693,1.4563660331290431,14.939172749391728,21.468531468531467 |
| 673,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc([*:2])cc6)cc5)cc4)cc3)cc2)cc1;2->1,1.0334237554869496,-0.3010299956639812,-0.3288271572849167,21.6,23.027718550106613 |
| 595,<polymer_spg>[*:1]OC1OC(COC(C)=O)C([*:2])C(OC(C)=O)C1OC(C)=O;2->1,0.2304489213782739,-1.3467874862246565,-1.3565473235138126,37.77777777777778,38.63636363636364 |
| 445,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc([Si](C)(C)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,,,-0.9829666607012196,, |
| 117,<polymer_spg>[*:1]c1ccc(-c2ccc([*:2])cc2)cc1;2->1,0.7481880270062004,-0.6020599913279624,-0.619788758288394,22.4,23.33333333333333 |
| 464,<polymer_spg>[*:1]Oc1c(Br)cc(C(c2cc(Br)c(OC([*:2])=O)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br;2->1,1.505149978319906,-0.0506099933550872,0.255272505103306,35.95505617977528,17.77777777777778 |
| 25,<polymer_spg>[*:1]c1ccc(-c2cc(C)c(-c3ccc([*:2])c(C)c3)cc2C)cc1C;2->1,,0.041392685158225,0.2041199826559248,, |
| 110,<polymer_spg>[*:1]Oc1ccc(Oc2cccc([*:2])c2C#N)c(-c2cc(C)cc(C)c2)c1;2->1,0.5440680443502757,-1.2218487496163564,-0.769551078621726,58.333333333333336,20.588235294117645 |
| 149,<polymer_spg>[*:1]c1ccc(Oc2ccc(S(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6C5=O)cc4)cc3)cc2)cc1;2->1,0.2671717284030138,-1.401209493236885,-1.26440110030182,46.59949622166247,34.00735294117647 |
| 152,<polymer_spg>[*:1]c1cc2c(c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)c1C)C(C)(C)CC2;2->1,2.5171958979499744,1.3783979009481375,1.3424226808222062,13.765690376569038,14.954545454545457 |
| 528,<polymer_spg>[*:1]Oc1ccc(C(=C(Cl)Cl)c2ccc(OC([*:2])=O)cc2)cc1;2->1,0.7481880270062004,-0.632644078973981,-0.5702477199975919,24.034334763948497,20.817843866171 |
| 696,<polymer_spg>[*:1]CC=C(Cl)C[*:2];2->1,1.4116197059632305,,,, |
| 843,<polymer_spg>[*:1]C(C)=C([*:2])SCCCCCCCC;2->1,2.255272505103306,1.6812412373755872,1.2787536009528289,3.75,9.473684210526317 |
| 621,<polymer_spg>[*:1]O[Si]([*:2])(C)CCCCCC;2->1,,,2.012837224705172,, |
| 889,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1cc(F)cc(F)c1;2->1,4.557507201905658,4.463892988985907,4.117271295655764,1.2405498281786942,2.7557251908396947 |
| 461,<polymer_spg>[*:1]Oc1c(Br)cc(C2(c3cc(Br)c(OC(=O)c4cc(C([*:2])=O)cc(C(C)(C)C)c4)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br;2->1,1.841984804590114,0.4424797690644486,0.4683473304121572,25.09025270758123,23.639455782312925 |
| 598,<polymer_spg>[*:1]N=P([*:2])(OCCCC)OCCCC;2->1,2.810904280668701,2.292256071356476,1.7474118078864234,3.3010204081632653,11.574239713774595 |
| 139,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N([*:2])C8=O)cc6)cc5)cc4C3=O)cc2)cc1;2->1,,,-1.1191864077192086,, |
| 749,<polymer_spg>[*:1]Cc1ccc(C[*:2])c(Cl)c1;2->1,-0.8961962790440431,,-2.221848749616356,,21.166666666666668 |
| 260,<polymer_spg>[*:1]c1cc(C(=O)OC)cc(N2C(=O)c3ccc(Oc4ccc(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4)cc3C2=O)c1;2->1,0.0718820073061253,,-1.4685210829577449,,34.705882352941174 |
| 864,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc(F)c1;2->1,4.2552725051033065,4.041392685158225,3.6232492903979,1.6363636363636365,4.285714285714286 |
| 946,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C;2->1,4.431363764158987,4.176091259055681,3.8195439355418688,1.8,4.090909090909091 |
| 829,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C;2->1,4.6414741105041,4.367355921026019,3.9708116108725178,1.8798283261802573,4.684491978609626 |
| 323,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc([*:2])cc5)cc4)cc3)NC(=O)c3ccccc32)cc1;2->1,0.3729120029701065,-1.1611509092627446,-1.035740369803151,34.20289855072463,25.6243213897937 |
| 1003,<polymer_spg>[*:1]CC([*:2])C(=O)OCCCCCCCCCCCCCCCCCCCCCC;2->1,2.606381365110605,1.9703468762300933,1.5563025007672873,4.325481798715203,11.22222222222222 |
| 248,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.0791812460476249,-0.2596373105057561,-0.1739251972991735,21.818181818181817,17.91044776119403 |
| 450,<polymer_spg>[*:1]c1ccc(Oc2ccc(-n3c(=O)c4cc5sc6cc7c(=O)n([*:2])c(=O)c7cc6sc5cc4c3=O)cc2)cc1;2->1,0.6020599913279624,-1.0861861476162833,-0.958607314841775,48.78048780487805,36.36363636363637 |
| 410,<polymer_spg>[*:1]CC([*:2])c1ccccc1;2->1,1.0934216851622351,-0.1023729087095585,-0.2757241303992109,15.69620253164557,23.39622641509434 |
| 840,<polymer_spg>[*:1]C(C)=C([*:2])SCC;2->1,2.204119982655925,1.3010299956639813,0.9542425094393248,8.0,17.77777777777778 |
| 607,<polymer_spg>[*:1]N=P([*:2])(Oc1cccc(C(C)(C)C)c1)Oc1cccc(C(C)(C)C)c1;2->1,1.230448921378274,0.2304489213782739,0.380211241711606,10.0,7.083333333333334 |
| 19,<polymer_spg>[*:1]c1c(C)c(C)c(N2C(=O)c3ccc(Oc4ccc(C)cc4Oc4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c(C)c1C;2->1,1.3010299956639813,-0.3279021420642826,-0.2291479883578558,42.5531914893617,33.898305084745765 |
| 328,<polymer_spg>[*:1]OCCOC(=O)c1ccc(C([*:2])=O)cc1;2->1,-0.7619538968712046,,-2.0457574905606752,,19.22222222222222 |
| 296,<polymer_spg>[*:1]=CC1CC(C=[*:2])C2C(=O)N(C3CCCCC3)C(=O)C12;2->1,0.9637878273455552,-0.3187587626244128,-0.3665315444204134,19.166666666666664,21.3953488372093 |
| 880,<polymer_spg>[*:1]C(=C([*:2])c1ccc(C(C)(C)C)cc1)c1ccccc1;2->1,3.4771212547196626,,2.556302500767288,,8.333333333333334 |
| 269,<polymer_spg>[*:1]CC([*:2])(C)C(=O)OC;2->1,-1.3010299956639813,-3.0087739243075053,-2.853871964321762,51.02040816326531,35.714285714285715 |
| 875,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)CCCCCCCC)cc1)c1ccc(C(C)C)cc1;2->1,2.0791812460476247,,0.9590413923210936,,13.186813186813188 |
| 226,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,,,-1.494850021680094,, |
| 94,<polymer_spg>[*:1]c1ccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1;2->1,1.1846914308175989,-0.543633966870957,-0.0974532206860085,53.4965034965035,19.148936170212767 |
| 515,<polymer_spg>[*:1]OC(=O)Oc1c(Br)cc(C(C)(C)c2cc(Br)c([*:2])c(Br)c2)cc1Br;2->1,0.6263403673750424,-0.8996294548824371,-0.7399286120149252,33.57142857142858,23.241758241758244 |
| 936,<polymer_spg>[*:1]O[Si]([*:2])(C)CCC(F)(F)F;2->1,3.142389466118836,2.230448921378274,1.954242509439325,8.16470588235294,15.422222222222222 |
| 637,<polymer_spg>[*:1]Oc1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,0.6334684555795865,-0.7471469690201068,-0.707743928643524,24.022346368715084,21.93877551020408 |
| 280,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)c(C(F)(F)F)c1;2->1,,,-1.0457574905606752,, |
| 286,<polymer_spg>[*:1]=CC1CC(C=[*:2])C2C(=O)N(c3c(F)c(F)c(F)c(F)c3F)C(=O)C12;2->1,1.4008832155483628,0.1367205671564068,0.1903316981702915,18.37226277372263,16.238709677419354 |
| 589,<polymer_spg>[*:1]CCOC(=O)c1ccc(C(=O)O[*:2])cc1;2->1,-0.4867823999320609,,,, |
| 488,<polymer_spg>[*:1]Oc1cc(C)c(C2(c3cc(C)c(Oc4ccc(C(=O)c5ccc([*:2])cc5)cc4)cc3C)OC(=O)c3ccccc32)cc1C;2->1,0.7355988996981799,-0.769551078621726,-0.721246399047171,32.0,28.63157894736842 |
| 444,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc([Si](C)(C)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,0.5198279937757188,-0.7931741239681502,-0.8239087409443188,20.55900621118012,22.066666666666663 |
| 184,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C(=O)c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6C5=O)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1;2->1,0.8413594704548549,-0.7235381958267558,-0.431798275933005,36.71957671957672,18.75675675675676 |
| 371,<polymer_spg>[*:1]C=CC1CCC([*:2])C1;2->1,1.187520720836463,0.3979400086720376,0.1760912590556812,6.16,10.266666666666667 |
| 973,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(C(C)C)c4ccccc4C5(C(C)C)c4cc5c(cc43)C(=O)N([*:2])C5=O)c3ccccc23)c2ccccc12;2->1,3.498861688992884,2.3242824552976926,2.204119982655925,14.9478672985782,19.7125 |
| 1064,<polymer_spg>[*:1]c1cc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c(O)cc1O;2->1,0.9030899869919436,-1.0705810742857071,-0.5528419686577808,94.11764705882352,28.57142857142857 |
| 275,<polymer_spg>[*:1]c1ccc(N(c2ccccc2)c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,0.4593924877592308,-1.0705810742857071,-0.9318141382538384,33.882352941176464,24.615384615384613 |
| 806,<polymer_spg>[*:1]c1nc2ccc(-c3ccc4nc([*:2])oc4c3)cc2o1;2->1,1.7558748556724917,0.2304489213782739,0.2787536009528289,33.529411764705884,30.0 |
| 1034,<polymer_spg>[*:1]c1cc(C)c2c(c1)CN1CN2Cc2c1ccc(-n1c(=O)c3cc4oc5cc6c(cc5oc4cc3c1=O)C1(CC(C)(C)c3cc4oc5cc7c(=O)n([*:2])c(=O)c7cc5oc4cc31)CC6(C)C)c2C;2->1,2.951823035315912,1.6532125137753435,1.5440680443502757,19.88888888888889,25.571428571428573 |
| 182,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C(=O)c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1;2->1,0.6954816764901974,-0.978810700930062,-0.7099653886374819,47.23809523809524,25.435897435897434 |
| 32,<polymer_spg>[*:1]c1cc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc(C(F)(F)F)c1;2->1,1.3352572564345315,-0.3467874862246563,0.0681858617461616,48.08888888888889,18.495726495726498 |
| 80,<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->1,2.6344772701607315,1.414973347970818,1.499687082618404,16.576923076923077,13.639240506329111 |
| 307,<polymer_spg>[*:1]C=C(C[*:2])C(=O)OCCOCC;2->1,0.9324737646771531,0.0899051114393979,-0.4145392704914993,6.959349593495936,22.23376623376624 |
| 770,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc([*:2])cc5C4=O)cc3)cc1)C2=O;2->1,0.4313637641589873,-1.5228787452803376,-1.0457574905606752,90.00000000000001,30.000000000000004 |
| 11,<polymer_spg>[*:1]Oc1ccc(C(=O)c2cccc(-c3cccc(C(=O)c4ccc(Oc5ccc(C6(c7ccc([*:2])cc7)c7ccccc7-c7ccccc76)cc5)cc4)c3)c2)cc1;2->1,0.2718416065364989,-1.259637310505756,-1.1944991418415998,34.0,29.264475743348985 |
| 872,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C1(CC1)c1ccccc1-2)c1ccccc1;2->1,3.505149978319906,2.90848501887865,2.4771212547196626,3.950617283950617,10.666666666666666 |
| 43,<polymer_spg>[*:1]c1ccc(C(C)(C)c2cccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c2)cc1;2->1,1.0293837776852095,-0.6635402661514705,-0.3251388592621884,49.30875576036866,22.6215644820296 |
| 86,<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->1,1.0413926851582251,-0.6777807052660807,-0.3872161432802645,52.38095238095238,26.82926829268293 |
| 778,<polymer_spg>[*:1]c1cc(-c2nc3cc(-c4ccc5[nH]c([*:2])nc5c4)ccc3[nH]2)cc(C(C)(C)C)c1;2->1,0.2810333672477275,-1.3010299956639813,-1.2218487496163564,38.2,31.83333333333333 |
| 36,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N([*:2])C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1;2->1,1.2787536009528289,-0.2924298239020636,-0.0078885122130503,37.25490196078432,19.34826883910387 |
| 1067,<polymer_spg>[*:1]c1cc(C(c2ccc(O)c(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O;2->1,1.230448921378274,-0.6777807052660807,-0.2596373105057561,80.95238095238095,30.909090909090907 |
| 58,<polymer_spg>[*:1]c1cc2c(cc1C)-c1cc(C)c(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc1S2(=O)=O;2->1,1.9590413923210936,0.3996737214810381,0.7109631189952758,36.25498007968128,17.704280155642024 |
| 41,<polymer_spg>[*:1]c1ccc(C(c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.8055008581584,0.2046625117482188,0.5403294747908738,39.8876404494382,18.41498559077809 |
| 782,<polymer_spg>[*:1]c1ccc(C(c2ccc(-c3nnc([*:2])o3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.8920946026904804,0.4456042032735975,0.6020599913279624,27.956989247311828,19.5 |
| 411,<polymer_spg>[*:1]CC([*:2])c1ccccc1;2->1,1.14921911265538,-0.1079053973095195,-0.3098039199714863,18.07692307692308,28.77551020408164 |
| 562,<polymer_spg>[*:1]CC([*:2])OC1C2CC3CC(C2)CC1C3;2->1,1.4014005407815442,,0.2278867046136735,,14.911242603550296 |
| 209,<polymer_spg>[*:1]C(=O)c1ccc(C2(c3ccc(C(=O)c4ccc(Oc5ccc(C(=O)c6cccc(C(=O)c7ccc(Oc8ccc([*:2])cc8)cc7)c6)cc5)cc4)cc3)OC(=O)c3ccccc32)cc1;2->1,-0.0409586076789063,-1.5590909179347825,-1.5086383061657274,32.971014492753625,29.35483870967742 |
| 148,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6C5=O)cc4)cc3)cc2)cc1;2->1,0.4471580313422192,-1.0726296369609765,-1.0277971616209356,33.096926713947994,29.85074626865672 |
| 739,<polymer_spg>[*:1]Nc1ccc(C(c2ccc(NC(=O)c3cccc(C([*:2])=O)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,0.8129133566428556,-0.8860566476931632,-0.6020599913279624,50.0,26.0 |
| 942,<polymer_spg>[*:1]O[Si](C)(C)c1cccc([Si]([*:2])(C)C)c1;2->1,2.6989700043360187,2.0253058652647704,1.505149978319906,4.716981132075472,15.625 |
| 594,<polymer_spg>[*:1]CCOC(=O)c1ccc(C(=O)O[*:2])cc1;2->1,-0.835647144215563,,,, |
| 123,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc2)cc1;2->1,0.8633228601204559,-0.3979400086720376,-0.4814860601221125,18.25,22.12121212121212 |
| 734,<polymer_spg>[*:1]Nc1ccc(C(c2ccc(NC(=O)c3cc(C([*:2])=O)cc(-c4ccccc4)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.3222192947339193,-0.1079053973095195,0.0791812460476248,26.923076923076923,17.5 |
| 931,<polymer_spg>[*:1]O[Si]([*:2])(C)C;2->1,,4.041392685158225,,, |
| 574,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc5c(c4)C(C)(C4CCCCC4)CC5(c4ccc(C(=O)c5ccc([*:2])cc5)cc4)C4CCCCC4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,0.8864907251724818,,-0.494850021680094,,24.0625 |
| 98,<polymer_spg>[*:1]c1c(C)c(C)c(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c(C)c1C;2->1,,,1.3010299956639813,, |
| 377,<polymer_spg>[*:1]=CC1CC(C=[*:2])C2C(=O)N(C3CCCCC3)C(=O)C12;2->1,1.2579184503140584,0.0492180226701816,-0.2146701649892329,16.169642857142854,29.688524590163933 |
| 130,<polymer_spg>[*:1]Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc2)cc1;2->1,1.0334237554869496,-0.3187587626244128,-0.494850021680094,22.500000000000004,33.75 |
| 699,<polymer_spg>[*:1]CC=C(C[*:2])[Si](C)(C)OC(C)C;2->1,1.3654879848908996,0.4913616938342727,0.1760912590556812,7.483870967741935,15.466666666666669 |
| 23,<polymer_spg>[*:1]Oc1ccc(Oc2cccc([*:2])c2C#N)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1;2->1,1.2787536009528289,-0.0809219076239261,0.0492180226701816,22.89156626506024,16.96428571428571 |
| 969,<polymer_spg>[*:1]c1cc(C(c2ccc(O)c(N3C(=O)c4cc5c(cc4C3=O)C3(C)c4ccccc4C5(C)c4cc5c(cc43)C(=O)N([*:2])C5=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O;2->1,1.6020599913279625,-0.1366771398795441,0.1760912590556812,54.7945205479452,26.666666666666668 |
| 997,<polymer_spg>[*:1]=CC1CC(C=[*:2])C2C(=O)N(c3c(F)c(F)c(F)c(F)c3F)C(=O)C12;2->1,1.4008832155483628,0.1367205671564068,0.1903316981702915,18.37226277372263,16.238709677419354 |
| 555,<polymer_spg>[*:1]C(C(=O)OC(C)C)C([*:2])C(=O)OC(C)(C)C;2->1,,,0.9542425094393248,, |
| 370,<polymer_spg>[*:1]C=CC1CCC([*:2])C1;2->1,,,0.1760912590556812,, |
| 906,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccccc1;2->1,4.380211241711606,4.278753600952829,3.90848501887865,1.263157894736842,2.962962962962963 |
| 512,<polymer_spg>[*:1]C=Cc1ccc([*:2])cc1[Si](C)(C)CCCCCCCCCCCCCCCCCC;2->1,1.7853298350107671,,0.6532125137753437,,13.555555555555555 |
| 383,<polymer_spg>[*:1]Oc1ccc(C(C)(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)cc1;2->1,0.8061799739838872,-0.494850021680094,-0.3187587626244128,20.0,13.333333333333334 |
| 201,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(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)c(C)c2)cc1C;2->1,,,-0.260427655549908,, |
| 917,<polymer_spg>[*:1]C(C)=C([*:2])C(C)C;2->1,3.958563883221968,3.429752280002408,3.096910013008056,3.379182156133829,7.272 |
| 368,<polymer_spg>[*:1]CC([*:2])(C)C(=O)OC;2->1,-0.4436974992327127,-2.2365720064370627,-1.8860566476931635,62.06896551724138,27.692307692307693 |
| 554,<polymer_spg>[*:1]C(C(=O)OC(C)C)C([*:2])C(=O)OC(C)CC(C)C;2->1,,,1.146128035678238,, |
| 610,<polymer_spg>[*:1]C(F)(F)C(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)S(=O)(=O)O)C([*:2])(F)F)C(F)(F)C(F)(F)C(F)(F)F;2->1,,,-0.1870866433571444,, |
| 387,<polymer_spg>[*:1]Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc2)cc1;2->1,1.1172712956557642,-0.2291479883578558,-0.2676062401770314,22.20338983050848,24.259259259259256 |
| 861,<polymer_spg>[*:1]C(=C([*:2])c1cccc(O)c1)c1ccc(C(C)(C)C)cc1;2->1,3.4771212547196626,2.690196080028514,2.322219294733919,6.122448979591836,14.285714285714286 |
| 816,<polymer_spg>[*:1]c1ccc(C(c2ccc(-c3nc4ccc(-c5ccc6nc([*:2])oc6c5)cc4o3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,2.204119982655925,0.7481880270062004,0.9395192526186184,28.571428571428573,18.390804597701152 |
| 930,<polymer_spg>[*:1]C(F)(F)C([*:2])(F)F;2->1,,1.0,,, |
| 292,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc([*:2])cc6)cc5)cc4)cc3)cc2)cc1;2->1,1.0334237554869496,-0.3010299956639812,-0.3279021420642826,21.6,22.978723404255323 |
| 690,<polymer_spg>[*:1]CC=C(C)C[*:2];2->1,2.113943352306837,,0.9041743682841636,,16.209476309226932 |
| 881,<polymer_spg>[*:1]C(=C([*:2])c1ccc(CCCC)cc1)c1ccccc1;2->1,2.204119982655925,,1.0413926851582251,,14.545454545454543 |
| 256,<polymer_spg>[*:1]c1cc(C(=O)OCC)cc(N2C(=O)c3ccc(Oc4ccc(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4)cc3C2=O)c1;2->1,0.3541084391474008,,-1.1135092748275182,,29.35064935064935 |
| 606,<polymer_spg>[*:1]N=P([*:2])(Oc1ccccc1)Oc1ccccc1;2->1,0.6812412373755872,0.0791812460476248,0.1139433523068367,4.0,3.692307692307692 |
| 197,<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,,,-1.2865094569060576,, |
| 95,<polymer_spg>[*:1]c1ccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1;2->1,1.0718820073061257,-0.744727494896694,-0.4179366370882912,65.55555555555556,30.890052356020945 |
| 1055,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(C)CCC7(C)c4cc5oc6cc7c(=O)n([*:2])c(=O)c7cc6oc5cc43)c3ccccc23)c2ccccc12;2->1,3.5212688755983854,2.187520720836463,2.2174839442139063,21.564935064935064,20.12727272727273 |
| 1040,<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(F)(F)F;2->1,1.294466226161593,-0.2757241303992109,-0.00436480540245,37.16981132075471,19.8989898989899 |
| 169,<polymer_spg>[*:1]c1ccc(Sc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,-0.1112590393171073,-1.785156151952302,-1.6575773191777938,47.19512195121951,35.18181818181819 |
| 581,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4ccc5c(c4)C(C)(C4CCCCC4)CC5(c4ccc(C(=O)c5ccc([*:2])cc5)cc4)C4CCCCC4)cc3)cc2)cc1;2->1,0.8573324964312685,,-0.638272163982407,,31.30434782608696 |
| 305,<polymer_spg>[*:1]CC([*:2])C(=O)OCC;2->1,2.24551266781415,1.173186268412274,0.8102325179950841,11.81208053691275,27.24458204334365 |
| 560,<polymer_spg>[*:1]CC([*:2])OC1CC2CCC1C2;2->1,1.3979400086720375,,-0.0177287669604316,,26.041666666666668 |
| 853,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1;2->1,3.929418925714293,3.380211241711606,3.113943352306837,3.5416666666666665,6.538461538461538 |
| 373,<polymer_spg>[*:1]=CC1CCC(C=CC2CCC(C=CC3CCC(C=[*:2])C3)C2)C1;2->1,1.1613680022349748,0.3424226808222063,-0.1549019599857432,6.59090909090909,20.714285714285715 |
| 909,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccccc1;2->1,4.230448921378274,3.959041392321093,3.5185139398778875,1.868131868131868,5.151515151515151 |
| 719,<polymer_spg>[*:1]Nc1cccc(NC(=O)c2ccc3c(c2)C(C)(C)CC3(C)c2ccc(C([*:2])=O)cc2)c1;2->1,0.7160033436347992,-1.0457574905606752,-0.8239087409443188,57.77777777777778,34.66666666666667 |
| 791,<polymer_spg>[*:1]CCO[*:2];2->1,1.0791812460476249,-0.2218487496163564,-0.6020599913279624,20.0,48.0 |
| 954,<polymer_spg>[*:1]O[Si]([*:2])(C)C;2->1,3.57978359661681,3.0791812460476247,2.6020599913279625,3.1666666666666665,9.5 |
| 227,<polymer_spg>[*:1]c1c(C)cc(C)c(N2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c1C;2->1,,,0.0086001717619175,, |
| 660,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(C)(C)c4cccc(C(C)(C)c5cc(C)c([*:2])c(C)c5)c4)cc3C)cc2)cc1;2->1,0.8450980400142568,-0.5528419686577808,-0.5512936800949201,25.0,24.911032028469748 |
| 143,<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->1,1.4424797690644486,-0.1079053973095195,0.143014800254095,35.51282051282051,19.92805755395684 |
| 846,<polymer_spg>[*:1]C=C([*:2])c1ccccc1[Ge](C)(C)C;2->1,2.431363764158988,1.8388490907372552,1.740362689494244,3.9130434782608696,4.909090909090909 |
| 1000,<polymer_spg>[*:1]C=C([*:2])[Si](C)(C)C;2->1,2.113943352306837,1.1139433523068367,0.9030899869919436,10.0,16.25 |
| 180,<polymer_spg>[*:1]c1ccc(C(c2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.0043213737826426,-0.645891560852599,-0.3467874862246563,44.690265486725664,22.444444444444443 |
| 868,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(C(C)(C)C)cc1;2->1,4.041392685158225,3.8195439355418688,3.397940008672037,1.6666666666666667,4.4 |
| 972,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(C)c4ccccc4C5(C)c4cc5c(cc43)C(=O)N([*:2])C5=O)c3ccccc23)c2ccccc12;2->1,3.4771212547196626,2.198657086954422,2.127104798364808,18.9873417721519,22.388059701492537 |
| 131,<polymer_spg>[*:1]Oc1ccc(C(C)(CCC(=O)OC)c2ccc(OC(=O)c3cccc(C([*:2])=O)c3)cc2)cc1;2->1,0.5440680443502757,,-0.769551078621726,,20.588235294117645 |
| 1046,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(C(C)C)c4ccccc4C5(C(C)C)c4cc5c(cc43)C(=O)N([*:2])C5=O)c3ccccc23)c2ccccc12;2->1,3.498861688992884,2.3242824552976926,2.204119982655925,14.9478672985782,19.7125 |
| 47,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N([*:2])C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1;2->1,1.2810333672477277,-0.2839966563652008,-0.0083309926200514,36.73076923076923,19.46992864424057 |
| 964,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(CC(C)(C)c4cc6c(cc43)C(=O)N([*:2])C6=O)CC5(C)C)c3ccccc23)c2ccccc12;2->1,3.3332456989619628,2.225309281725863,1.9242792860618816,12.821428571428571,25.642857142857142 |
| 774,<polymer_spg>[*:1]c1ccc2cc(-c3nc4cc(C(c5ccc6oc([*:2])nc6c5)(C(F)(F)F)C(F)(F)F)ccc4o3)ccc2c1;2->1,0.6720978579357175,-1.0132282657337552,-0.6777807052660807,48.45360824742268,22.380952380952383 |
| 324,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc([*:2])cc4)cc3)cc2)c2ccccc2C(=O)O)cc1;2->1,0.2576785748691845,-1.3819519032879073,-1.3142582613977365,43.6144578313253,37.31958762886598 |
| 203,<polymer_spg>[*:1]c1ccc(-c2ccc(N3C(=O)c4ccc(C(=O)Oc5ccc(C(C)(C)c6ccc(OC(=O)c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6)cc5)cc4C3=O)cc2)cc1;2->1,,,-1.2907300390241692,, |
| 84,<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->1,1.3617278360175928,-0.4202164033831898,-0.0783135245163979,60.526315789473685,27.54491017964072 |
| 938,<polymer_spg>[*:1]C[Si]([*:2])(C)C;2->1,2.7075701760979363,2.113943352306837,1.6334684555795864,3.923076923076923,11.86046511627907 |
| 633,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc([*:2])cc2)cc1;2->1,0.4593924877592308,-1.0087739243075051,,29.387755102040813, |
| 908,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C1(CC1)c1ccccc1-2)c1ccccc1;2->1,3.505149978319906,2.90848501887865,2.4771212547196626,3.950617283950617,10.666666666666666 |
| 565,<polymer_spg>[*:1]CC([*:2])OCC1CC2CC1C1CCCC21;2->1,0.4548448600085102,,-0.8860566476931632,,21.923076923076923 |
| 611,<polymer_spg>[*:1]C(F)(F)C(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)S(=O)(=O)O)C([*:2])(F)F)C(F)(F)C(F)(F)C(F)(F)F;2->1,,,-0.5376020021010439,, |
| 398,<polymer_spg>[*:1]Oc1c(C)cc([*:2])cc1C;2->1,1.81690383937566,0.6127838567197355,0.5440680443502757,16.0,18.74285714285714 |
| 896,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)C)cc1)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1;2->1,3.5185139398778875,2.863322860120456,2.397940008672037,4.52054794520548,13.2 |
| 91,<polymer_spg>[*:1]c1ccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N([*:2])C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1;2->1,1.0718820073061257,-0.744727494896694,-0.4202164033831898,65.55555555555556,31.05263157894737 |
| 82,<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,,,1.146128035678238,, |
| 430,<polymer_spg>[*:1]N=P([*:2])(Oc1ccccc1)Oc1ccccc1;2->1,1.235528446907549,0.146128035678238,-0.2218487496163564,12.285714285714286,28.666666666666668 |
| 779,<polymer_spg>[*:1]c1ccc(C(c2ccc(-c3nc4cc(-c5ccc6[nH]c([*:2])nc6c5)ccc4[nH]3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,0.4638929889859073,-1.154901959985743,-0.8860566476931632,41.57142857142857,22.384615384615383 |
| 291,<polymer_spg>[*:1]Oc1ccc(C(=O)c2ccc(-c3ccc(C(=O)c4ccc(Oc5ccc(S(=O)(=O)c6ccc([*:2])cc6)cc5)cc4)cc3)cc2)cc1;2->1,0.5145477526602861,-0.9208187539523752,-0.958607314841775,27.25,29.727272727272727 |
| 57,<polymer_spg>[*:1]c1ccc(Cc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(Cl)c2)cc1Cl;2->1,0.8312296938670634,-0.91721462968355,-0.5702477199975919,56.03305785123968,25.20446096654275 |
| 257,<polymer_spg>[*:1]c1ccc(C(C)(C)c2ccc(N3C(=O)c4ccc(Oc5ccc(Oc6ccc7c(c6)C(=O)N([*:2])C7=O)cc5)cc4C3=O)cc2)cc1;2->1,0.4232458739368078,-1.1598939055432422,-0.9829666607012196,38.29479768786127,25.48076923076923 |
| 888,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1ccc(F)c(F)c1;2->1,4.645422269349092,4.544068044350276,4.220108088040055,1.262857142857143,2.6626506024096384 |
| 1044,<polymer_spg>[*:1]c1ccc(Oc2c3c(c(ON4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N([*:2])C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c4c2C2c5ccccc5C4c4ccccc42)C2c4ccccc4C3c3ccccc32)cc1C;2->1,1.740362689494244,0.3010299956639812,0.380211241711606,27.5,22.916666666666668 |
| 388,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C([*:2])=O)c4)cc3)c3ccccc3-c3ccccc32)cc1;2->1,1.3031960574204888,-0.1487416512809247,-0.1938200260161128,28.30985915492958,31.40625 |
| 335,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N([*:2])C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c3ccccc23)c2ccccc12;2->1,2.9813655090785445,1.6009728956867482,1.569373909615046,24.01002506265664,25.82210242587601 |
| 273,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc8c(c7)C(=O)N([*:2])C8=O)cc6C5=O)cc4)cc3)cc2)cc1;2->1,0.4313637641589873,,-1.154901959985743,,38.57142857142857 |
| 756,<polymer_spg>[*:1]Cc1ccc(C[*:2])c(Cl)c1;2->1,-1.337242168318426,,-2.4436974992327127,,12.77777777777778 |
| 1035,<polymer_spg>[*:1]c1ccc2c(c1C)N1Cc3ccc(-n4c(=O)c5cc6oc7cc8c(cc7oc6cc5c4=O)C4(CC(C)(C)c5cc6oc7cc9c(=O)n([*:2])c(=O)c9cc7oc6cc54)CC8(C)C)c(C)c3N(C2)C1;2->1,3.083860800866573,1.812913356642856,1.6901960800285136,18.661538461538463,24.755102040816325 |
| 128,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C(=O)c4ccc5ccccc5c4-c4c([*:2])ccc5ccccc45)c3)cc2)cc1;2->1,0.6020599913279624,-0.8297382846050426,-0.8569851997459049,27.027027027027028,28.776978417266186 |
| 802,<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->1,2.599883072073688,1.0791812460476249,1.2787536009528289,33.166666666666664,20.94736842105263 |
| 28,<polymer_spg>[*:1]c1cccc(-c2cc(C)c(-c3cccc([*:2])c3C)cc2C)c1C;2->1,2.278753600952829,0.7481880270062004,0.8633228601204559,33.92857142857143,26.02739726027397 |
| 882,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1ccccc1;2->1,4.587710965018911,4.463892988985907,4.064457989226918,1.3298969072164948,3.336206896551724 |
| 510,<polymer_spg>[*:1]C=Cc1ccc([*:2])cc1[Si](C)(C)CCCC;2->1,1.146128035678238,,0.041392685158225,,12.727272727272728 |
| 675,<polymer_spg>[*:1]Oc1c(C)cc(-c2cc(C)c(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)c(C)c2)cc1C;2->1,1.5024271199844328,0.104487111312395,0.082066934285113,25.0,26.32450331125828 |
| 151,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N([*:2])C8=O)cc6C5=O)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1;2->1,0.9614210940664484,-0.5543957967264024,-0.2494916051486538,32.795698924731184,16.252220248667854 |
| 244,<polymer_spg>[*:1]Oc1ccc(C(c2ccc(OC(=O)c3cc(C([*:2])=O)cc(C(C)(C)C)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.8407332346118068,,0.5705429398818975,,18.62903225806452 |
| 714,<polymer_spg>[*:1]c1cccc(N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N([*:2])C7=O)cc5)cc4)cc3C2=O)c1;2->1,,,-1.490797477668897,, |
| 543,<polymer_spg>[*:1]CC([*:2])c1ccc(O)cc1;2->1,,,-1.8239087409443189,, |
| 544,<polymer_spg>[*:1]CC([*:2])c1ccccc1;2->1,1.0934216851622351,-0.1023729087095585,-0.2757241303992109,15.69620253164557,23.39622641509434 |
| 639,<polymer_spg>[*:1]Oc1cccc2c(Oc3ccc(S(=O)(=O)c4ccc([*:2])cc4)cc3)cccc12;2->1,0.2041199826559248,-1.438898616350944,-1.245651664288981,43.95604395604396,28.169014084507044 |
| 697,<polymer_spg>[*:1]CC=C(C)C[*:2];2->1,2.184691430817599,,,, |
| 423,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C;2->1,4.531478917042255,4.176091259055681,3.7993405494535817,2.2666666666666666,5.396825396825397 |
| 910,<polymer_spg>[*:1]C(=C([*:2])c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(F)cc1;2->1,2.770852011642144,2.041392685158225,1.662757831681574,5.363636363636363,12.826086956521738 |
| 659,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(C)(C)c4ccc(C(C)(C)c5cc(C)c([*:2])c(C)c5)cc4)cc3C)cc2)cc1;2->1,1.1205739312058498,-0.2218487496163564,-0.243363891754152,22.0,23.117338003502628 |
| 797,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1cc(C(c3ccc(O)c(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)(C(F)(F)F)C(F)(F)F)ccc1O)C2=O;2->1,0.99563519459755,-1.0969100130080565,-0.3979400086720376,123.75,24.75 |
| 1056,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(C)CCC7(C)c4cc5oc6cc7c(=O)n([*:2])c(=O)c7cc6oc5cc43)c3ccccc23)c2ccccc12;2->1,3.2511513431753545,1.893761762057944,1.888179493918325,22.77139208173691,23.065976714100906 |
| 99,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)n1c-2nc2ccc(-c3cccc4c3nc3n4C(=O)c4ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc4-3)cc21;2->1,,,0.1583624920952496,, |
| 850,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C(C)C)(C(C)C)C(C)C)cc1)c1ccccc1;2->1,3.113943352306837,2.380211241711606,1.9590413923210936,5.416666666666667,14.285714285714286 |
| 448,<polymer_spg>[*:1]c1ccc(N2C(=O)c3ccc([Si](C)(C)c4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)cc1;2->1,0.4393326938302626,-1.193820026016113,-0.978810700930062,42.96875,26.19047619047619 |
| 755,<polymer_spg>[*:1]Cc1ccc(C[*:2])cc1;2->1,0.1139433523068367,,-1.3279021420642825,,27.659574468085108 |
| 976,<polymer_spg>[*:1]C1C2CC(C)C(C2)C1[*:2];2->1,2.59802407233419,1.481442628502305,1.3820170425748683,13.07920792079208,16.443983402489625 |
| 115,<polymer_spg>[*:1]Oc1ccc(C(=O)c2ccc(Oc3ccc(C(c4ccc([*:2])cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)c2ccccc12;2->1,0.7810369386211319,-0.6777807052660807,-0.4881166390211256,28.761904761904763,18.584615384615383 |
| 777,<polymer_spg>[*:1]c1cccc(-c2nc3cc(-c4ccc5[nH]c([*:2])nc5c4)ccc3[nH]2)c1;2->1,-0.7958800173440752,-2.744727494896694,-2.318758762624413,88.8888888888889,33.333333333333336 |
| 72,<polymer_spg>[*:1]c1cccc(S(=O)(=O)c2cccc(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->1,0.3617278360175928,-1.5072396109731625,-1.0958256317158366,73.95498392282958,28.67830423940149 |
| 845,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)C)cc1)c1ccccc1;2->1,3.690196080028514,3.204119982655925,2.7481880270062,3.0625,8.75 |
| 537,<polymer_spg>[*:1]CC([*:2])c1ccc(OC(C)=O)cc1;2->1,1.212187604403958,-0.00436480540245,-0.1938200260161128,16.464646464646467,25.46875 |
| 849,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccccc1;2->1,1.896526217489556,0.7466341989375788,0.4440447959180762,14.121863799283153,28.3453237410072 |
| 174,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc4c(c3)C(C)(c3ccc(Oc5ccc(-c6ccc(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)cc5C(F)(F)F)cc3)CC4(C)C)c(C(F)(F)F)c2)cc1;2->1,1.759290033024304,0.2095150145426309,0.3873898263387294,35.46296296296296,23.54508196721312 |
| 87,<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,,,-0.2502636844309389,, |
| 551,<polymer_spg>[*:1]CC([*:2])c1ccc(C([Si](C)(C)C)[Si](C)(C)C)cc1;2->1,2.1760912590556813,,1.0043213737826426,,14.851485148514852 |
| 705,<polymer_spg>[*:1]CC=C(Cl)C[*:2];2->1,,,0.4727564493172124,, |
| 314,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc(C4(c5cccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(C(c%10ccc%11c(c%10)C(=O)N([*:2])C%11=O)(C(F)(F)F)C(F)(F)F)cc9C8=O)cc7)cc6C(F)(F)F)c5)c5ccccc5C(=O)N4c4ccccc4)cc3)c(C(F)(F)F)c2)cc1;2->1,1.7311857076340005,0.0043213737826425,0.2329961103921538,53.31683168316832,31.49122807017544 |
| 600,<polymer_spg>[*:1]N=P([*:2])(OC(C)CC)OC(C)CC;2->1,2.247973266361807,1.5921767573958667,1.1271047983648077,4.526854219948849,13.208955223880595 |
| 599,<polymer_spg>[*:1]N=P([*:2])(OCC(C)C)OCC(C)C;2->1,2.59659709562646,1.9943171526696368,1.5010592622177514,4.002026342451874,12.46056782334385 |
| 277,<polymer_spg>[*:1]c1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N([*:2])C5=O)cc3C2=O)c1;2->1,-0.5214335044061567,-2.193820026016113,-1.9208187539523751,47.03124999999999,25.08333333333333 |
| 1033,<polymer_spg>[*:1]c1ccc2c(c1C)N1Cc3cc(C)c(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N([*:2])C7=O)cc5C4=O)cc3N(C2)C1;2->1,2.0253058652647704,0.3424226808222063,0.5797835966168101,48.18181818181818,27.894736842105264 |
| 763,<polymer_spg>[*:1]c1c(C)c(C)c(-n2c(=O)c3cc4oc5cc6c(cc5oc4cc3c2=O)C2(CC(C)(C)c3cc4oc5cc7c(=O)n([*:2])c(=O)c7cc5oc4cc32)CC6(C)C)c(C)c1C;2->1,3.041392685158225,1.8864907251724816,1.6720978579357175,14.285714285714286,23.404255319148938 |
| 835,<polymer_spg>[*:1]C(Cl)=C([*:2])c1ccccc1;2->1,1.7853298350107671,0.414973347970818,0.2304489213782739,23.46153846153846,35.88235294117647 |
| 559,<polymer_spg>[*:1]CC([*:2])OC1CCCCC1;2->1,1.1335389083702174,,-0.00436480540245,,13.737373737373735 |
| 684,<polymer_spg>[*:1]CC[*:2];2->1,0.3010299956639812,,-0.3187587626244128,,4.166666666666667 |
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