[ { "id1": ">CH", "id2": "C≡CH", "model_record": -0.18371738189391876 }, { "id1": "CH2", "id2": "C≡CH", "model_record": 0.06723310157310154 }, { "id1": "CH3", "id2": "C≡CH", "model_record": 0.1511413084403949 }, { "id1": ">C<", "id2": "C_arom", "model_record": -0.30968501322545716 }, { "id1": ">C<", "id2": "CH_arom", "model_record": -0.040269683728406204 }, { "id1": "CH3", "id2": "CH_arom", "model_record": 0.045398744853650204 }, { "id1": "CH2", "id2": "C_arom", "model_record": -0.06242075545369085 }, { "id1": "CH3", "id2": "C_arom", "model_record": 0.11447930753452223 }, { "id1": ">CH", "id2": "C_arom", "model_record": -0.4158624775122392 }, { "id1": "CH2", "id2": "CH_arom", "model_record": 0.0037160477290278044 }, { "id1": ">CH", "id2": "CH_arom", "model_record": -0.0367766719917285 }, { "id1": "CH2", "id2": "CH=O", "model_record": 0.12305359647909934 }, { "id1": "CH3", "id2": "CH=O", "model_record": 0.10187469034871167 }, { "id1": ">C=O", "id2": "CH2", "model_record": 0.046191053863637005 }, { "id1": ">C<", "id2": ">C=O", "model_record": 0.24968925951397747 }, { "id1": ">C=O", "id2": "CH3", "model_record": 0.07726883079913838 }, { "id1": ">C=O", "id2": ">CH", "model_record": -0.00045276712110988197 }, { "id1": "CH3", "id2": "OCH3", "model_record": 0.08814654061145145 }, { "id1": ">C<", "id2": "OCH2", "model_record": 0.21912131451666356 }, { "id1": "CH2", "id2": "OCH3", "model_record": 0.037965107676736554 }, { "id1": "CH2", "id2": "OCH2", "model_record": -0.03712493649357425 }, { "id1": "CH3", "id2": "OCH2", "model_record": 0.04716136386377694 }, { "id1": ">CH", "id2": "OCH3", "model_record": -0.03323101683228677 }, { "id1": ">CH", "id2": "OCH2", "model_record": -0.22046996759454948 }, { "id1": ">C<", "id2": "OCH3", "model_record": 0.03790972682658586 }, { "id1": "CH3", "id2": "HCOO", "model_record": 0.045977954235034764 }, { "id1": "CH2", "id2": "HCOO", "model_record": 0.11244290547170076 }, { "id1": ">CH", "id2": "COO", "model_record": 0.1801469645626566 }, { "id1": "CH2", "id2": "COO", "model_record": 0.08394999787145262 }, { "id1": ">C<", "id2": "COO", "model_record": 0.21416752231606875 }, { "id1": "CH3", "id2": "COO", "model_record": 0.04317047138905919 }, { "id1": "=CH", "id2": "C≡CH", "model_record": -0.0423021283854757 }, { "id1": "=C<", "id2": "C≡CH", "model_record": -0.3679698871258342 }, { "id1": "=CH2", "id2": "C≡CH", "model_record": 0.12850802400950342 }, { "id1": "=CH2", "id2": "CH_arom", "model_record": 0.07134226132398278 }, { "id1": "=C<", "id2": "C_arom", "model_record": -0.2659542702867626 }, { "id1": "=C<", "id2": "CH_arom", "model_record": -0.1210112284636777 }, { "id1": "=CH", "id2": "C_arom", "model_record": -0.06577965904642215 }, { "id1": "=CH2", "id2": "C_arom", "model_record": -0.08233061709834949 }, { "id1": "=CH", "id2": "CH_arom", "model_record": -0.02777227236233225 }, { "id1": "=CH2", "id2": ">C=O", "model_record": 0.01870397276432888 }, { "id1": "=CH", "id2": ">C=O", "model_record": -0.07924746094295501 }, { "id1": "=C<", "id2": ">C=O", "model_record": -0.3890984918446064 }, { "id1": "=C<", "id2": "OCH3", "model_record": -0.26406219612376053 }, { "id1": "=CH", "id2": "OCH3", "model_record": 0.08211035721381005 }, { "id1": "=C<", "id2": "OCH2", "model_record": -0.22103185453388233 }, { "id1": "=CH2", "id2": "OCH3", "model_record": -0.05488229227924732 }, { "id1": "=CH", "id2": "OCH2", "model_record": 0.12042046990948997 }, { "id1": "=CH2", "id2": "OCH2", "model_record": -0.16082219040056 }, { "id1": "=CH", "id2": "HCOO", "model_record": -0.04924693944343094 }, { "id1": "=C<", "id2": "HCOO", "model_record": -0.04924693944343094 }, { "id1": "=CH", "id2": "COO", "model_record": -0.07465466121913379 }, { "id1": "=C<", "id2": "COO", "model_record": -0.20912851003958197 }, { "id1": "=CH2", "id2": "COO", "model_record": -0.1873284020798118 }, { "id1": "C_arom", "id2": "C≡CH", "model_record": -0.06996738062245225 }, { "id1": "CH_arom", "id2": "C≡CH", "model_record": -0.06997816145785027 }, { "id1": "CH=O", "id2": "C≡CH", "model_record": -0.8036084995749746 }, { "id1": ">C=O", "id2": "C≡CH", "model_record": -0.7245616793983386 }, { "id1": "C≡CH", "id2": "OCH3", "model_record": -0.6973014503254631 }, { "id1": "C≡CH", "id2": "OCH2", "model_record": -0.7124635912791397 }, { "id1": "C≡CH", "id2": "HCOO", "model_record": -0.6491906341393756 }, { "id1": "COO", "id2": "C≡CH", "model_record": -0.7706507183991701 }, { "id1": "C≡CH", "id2": "OH", "model_record": -0.3953272203288893 }, { "id1": "CH_arom", "id2": "C_arom", "model_record": -0.03992936106292302 }, { "id1": "C_arom", "id2": "C_arom", "model_record": -0.24630026810220787 }, { "id1": "CH_arom", "id2": "CH_arom", "model_record": -0.0017874528445781402 }, { "id1": "CH2_hex", "id2": "CH_arom", "model_record": 0.016756385671790754 }, { "id1": "CH_hex", "id2": "C_arom", "model_record": -0.2096597639152752 }, { "id1": "CH2_hex", "id2": "C_arom", "model_record": 0.012541534230376803 }, { "id1": "CH_arom", "id2": "CH_hex", "model_record": -0.005184457928999869 }, { "id1": "CH_pent", "id2": "C_arom", "model_record": -0.030135433813644724 }, { "id1": "CH2_pent", "id2": "CH_arom", "model_record": 0.016163719207036752 }, { "id1": "CH2_pent", "id2": "C_arom", "model_record": -0.03015381422551497 }, { "id1": "CH_arom", "id2": "CH_pent", "model_record": -0.0012280619452513725 }, { "id1": "CH=O", "id2": "CH_arom", "model_record": -0.07298686010226767 }, { "id1": "CH=O", "id2": "C_arom", "model_record": -0.03477418604459808 }, { "id1": ">C=O", "id2": "CH_arom", "model_record": -0.17737259526633692 }, { "id1": ">C=O", "id2": "C_arom", "model_record": -0.20890507062777522 }, { "id1": "CH_arom", "id2": "OCH2", "model_record": -0.16191196233780558 }, { "id1": "C_arom", "id2": "OCH3", "model_record": -0.17062941897764702 }, { "id1": "C_arom", "id2": "OCH2", "model_record": -0.1143281639880095 }, { "id1": "CH_arom", "id2": "OCH3", "model_record": -0.05806913031673688 }, { "id1": "C_arom", "id2": "HCOO", "model_record": 0.05952617082632797 }, { "id1": "CH_arom", "id2": "HCOO", "model_record": -0.07251503775066634 }, { "id1": "COO", "id2": "C_arom", "model_record": -0.20843873998066137 }, { "id1": "CH_arom", "id2": "COO", "model_record": -0.1466481167221345 }, { "id1": "CH_arom", "id2": "OH", "model_record": -0.04264238269571497 }, { "id1": "C_arom", "id2": "OH", "model_record": 0.0955212536852117 }, { "id1": "CH_arom", "id2": "NH2", "model_record": -0.13578656303759865 }, { "id1": "C_arom", "id2": "NH2", "model_record": 0.3245677118846664 }, { "id1": "CH=O", "id2": "CH_hex", "model_record": 0.18126133081773227 }, { "id1": "CH2_hex", "id2": "CH=O", "model_record": 0.15242908803430827 }, { "id1": ">C=O", "id2": "CH_hex", "model_record": 0.20715143616696932 }, { "id1": ">C=O", "id2": "CH2_hex", "model_record": 0.10105082239249716 }, { "id1": "CH_hex", "id2": "OCH3", "model_record": 0.21758560291856807 }, { "id1": "CH2_hex", "id2": "OCH3", "model_record": 0.038851491234467544 }, { "id1": "CH_hex", "id2": "OCH2", "model_record": 0.12641108333024728 }, { "id1": "CH2_hex", "id2": "OCH2", "model_record": -0.029859981746856126 }, { "id1": "CH2_hex", "id2": "HCOO", "model_record": 0.13536601201087417 }, { "id1": "CH2_hex", "id2": "COO", "model_record": 0.09766270569304139 }, { "id1": "CH_hex", "id2": "COO", "model_record": 0.23359111174440955 }, { "id1": "CH_hex", "id2": "OH", "model_record": 0.3012959587428203 }, { "id1": "CH2_hex", "id2": "OH", "model_record": 0.06145194047695637 }, { "id1": "CH2_pent", "id2": "COO", "model_record": 0.0591958981494055 }, { "id1": "CH_pent", "id2": "OH", "model_record": 0.05049513358443987 }, { "id1": "CH2_pent", "id2": "OH", "model_record": 0.06365860079027498 }, { "id1": "CH=O", "id2": "CH=O", "model_record": -0.5266119495933976 }, { "id1": ">C=O", "id2": "CH=O", "model_record": -0.3487549151972326 }, { "id1": "CH=O", "id2": "OCH2", "model_record": -0.11976891848704076 }, { "id1": "CH=O", "id2": "HCOO", "model_record": -0.1498229825699716 }, { "id1": "CH=O", "id2": "COO", "model_record": -0.40091742710072753 }, { "id1": "CH=O", "id2": "OH", "model_record": -0.3422480720079449 }, { "id1": ">C=O", "id2": ">C=O", "model_record": -0.38212098851262305 }, { "id1": ">C=O", "id2": "OCH3", "model_record": -0.40877394973926423 }, { "id1": ">C=O", "id2": "OCH2", "model_record": -0.04638327660766271 }, { "id1": ">C=O", "id2": "HCOO", "model_record": -0.2798038394521561 }, { "id1": ">C=O", "id2": "COO", "model_record": -0.2616088977640821 }, { "id1": ">C=O", "id2": "OH", "model_record": -0.21837396735346676 }, { "id1": ">C=O", "id2": "NH2", "model_record": -0.6476561622488226 }, { "id1": "OCH2", "id2": "OCH3", "model_record": -0.6939950193693598 }, { "id1": "OCH3", "id2": "OCH3", "model_record": -0.380719319099956 }, { "id1": "OCH2", "id2": "OCH2", "model_record": -0.1458789755687414 }, { "id1": "HCOO", "id2": "OCH3", "model_record": -0.20616518678486087 }, { "id1": "COO", "id2": "OCH2", "model_record": -0.1629180563538049 }, { "id1": "COO", "id2": "OCH3", "model_record": -0.41914105984269306 }, { "id1": "OCH2", "id2": "OH", "model_record": 0.01827388783404827 }, { "id1": "OCH3", "id2": "OH", "model_record": -0.18820563057725898 }, { "id1": "HCOO", "id2": "HCOO", "model_record": -0.43266513835360754 }, { "id1": "COO", "id2": "HCOO", "model_record": -0.3051378987235245 }, { "id1": "HCOO", "id2": "OH", "model_record": -0.21531477125536244 }, { "id1": "COO", "id2": "COO", "model_record": -0.45645793824438036 }, { "id1": "COO", "id2": "OH", "model_record": -0.2042011918642914 }, { "id1": "COO", "id2": "NH2", "model_record": -0.4441846238871141 }, { "id1": "NH2", "id2": "OH", "model_record": -0.7754077243242464 } ]