set,reaction_id,n_atoms,n_heavy,elements,charge,multiplicity,n_reactant_frags,batch,returncode,wall_seconds,outcome,n_routes_found,best_kind,ref_ts_hartree,best_ts_hartree,lower_by_kcal,excluded_routes
reaction_qm,RXN_0000010154,11,7,CHNPS,0,1,2,1,0,2240.8,no_channel,0,,-1669.18107356,,,0
reaction_qm,RXN_0000011160,22,7,CHPSi,0,1,2,1,0,2221.3,no_channel,0,,-830.17567131,,,0
reaction_qm,RXN_0000103700,14,6,CHO,0,1,1,1,0,2078.1,no_channel,0,,-270.34342637,,,0
reaction_qm,RXN_0000104148,17,6,CHOP,0,1,1,1,0,2160.4,higher,1,alternate,-575.42821151,-575.40201270,-16.44,0
reaction_qm,RXN_0000104417,12,6,CClHOPS,0,1,2,1,0,2068.0,lower,3,channel,-1354.66821135,-1354.67043124,1.393,0
reaction_qm,RXN_0000104669,9,7,CHOS,0,1,1,1,0,1264.6,matched,1,channel,-776.38198109,-776.38198906,0.005,0
reaction_qm,RXN_0000105844,20,10,CClHNOS,0,1,1,1,0,2030.1,no_channel,0,,-1259.92868000,,,0
reaction_qm,RXN_0000106532,27,10,CHNPSSi,0,1,2,1,0,2110.3,no_channel,0,,-1590.52203571,,,0
reaction_qm,RXN_0000011595,12,10,CClFHNS,0,1,1,1,-1,2700.1,no_channel,0,,-1382.89401056,,,0
reaction_qm,RXN_0000107496,29,10,CHOPSi,0,1,2,1,-1,2700.1,no_channel,0,,-984.03423277,,,0
reaction_qm,RXN_0000107811,20,10,CClFHO,0,1,2,1,0,2257.0,no_channel,0,,-945.01262232,,,0
reaction_qm,RXN_0000108106,25,10,CHNOPS,0,1,2,1,0,2071.9,matched,1,channel,-1123.57195914,-1123.57112250,-0.525,0
reaction_qm,RXN_0000108685,15,10,CFHOSi,0,1,2,1,0,2101.2,no_channel,0,,-931.83013255,,,0
reaction_qm,RXN_0000109689,13,9,CClHNOPS,0,1,1,1,0,2148.7,no_channel,0,,-1943.64966606,,,0
reaction_qm,RXN_0000110640,23,9,CHNOPS,0,1,2,1,0,2076.1,higher,3,channel,-1388.16735884,-1388.15749604,-6.189,0
reaction_qm,RXN_0000011930,16,9,CFHNP,0,1,2,1,0,1958.8,lower,1,alternate,-807.03474572,-807.05988000,15.772,0
reaction_qm,RXN_0000012013,16,10,CFHNOP,0,1,1,1,0,1993.5,matched,2,channel,-1106.50564746,-1106.50595184,0.191,0
reaction_qm,RXN_0000113382,10,7,CHNO,0,1,2,1,0,662.4,lower,2,channel,-392.54834820,-392.55069717,1.474,0
reaction_qm,RXN_0000113884,15,7,CHNP,0,1,1,1,0,2213.4,no_channel,0,,-591.24531168,,,0
reaction_qm,RXN_0000114379,21,10,CHOP,0,1,1,1,0,2055.6,matched,2,channel,-802.16932513,-802.16934425,0.012,0
reaction_qm,RXN_0000115145,12,8,CHNOS,0,1,2,1,0,2100.5,no_channel,0,,-737.53956528,,,0
reaction_qm,RXN_0000115812,19,10,CClFHOPS,0,1,1,1,0,2571.8,no_channel,0,,-1607.87010077,,,0
reaction_qm,RXN_0000012523,20,9,CFHNP,0,1,1,1,0,2632.3,no_channel,0,,-1050.88424257,,,0
reaction_qm,RXN_0000117052,19,8,CHPS,0,1,2,1,0,2482.3,matched,2,channel,-974.59419629,-974.59418035,-0.01,0
reaction_qm,RXN_0000117791,11,6,CHOPS,0,1,1,1,0,2379.0,lower,2,channel,-1292.10809864,-1292.11144201,2.098,0
reaction_qm,RXN_0000118567,23,8,CHNPSi,0,1,1,1,0,2071.6,no_channel,0,,-1188.15336152,,,0
reaction_qm,RXN_0000118970,21,10,CHNO,0,1,1,1,0,2167.8,no_channel,0,,-552.69249609,,,0
reaction_qm,RXN_0000119536,21,9,CClHOSi,0,1,1,1,0,2261.4,no_channel,0,,-1482.79259467,,,0
reaction_qm,RXN_0000120322,24,10,CHNOPS,0,1,1,1,0,2314.0,no_channel,0,,-1466.51951891,,,0
reaction_qm,RXN_0000121544,11,7,CFHP,0,1,1,1,0,915.0,no_channel,0,,-1240.41195198,,,0
reaction_qm,RXN_0000122865,18,7,CHNOS,0,1,3,1,0,2044.6,no_channel,0,,-686.99788778,,,0
reaction_qm,RXN_0000123066,20,9,CHOPS,0,1,2,1,0,2467.9,no_channel,0,,-1770.04523810,,,0
reaction_qm,RXN_0000123537,15,9,CHNOPS,0,1,1,1,0,2304.8,no_channel,0,,-1133.90206195,,,0
reaction_qm,RXN_0000124412,15,6,CHNOSSi,0,1,2,1,0,1294.7,matched,4,channel,-899.17915284,-899.17982534,0.422,0
reaction_qm,RXN_0000124759,17,9,CHNOS,0,1,3,1,0,2315.0,no_channel,0,,-1138.16403831,,,0
reaction_qm,RXN_0000125060,12,10,CClHNOS,0,1,2,1,0,2022.9,matched,2,channel,-1656.80020901,-1656.80060263,0.247,0
reaction_qm,RXN_0000125963,11,8,CClHNS,0,1,1,1,0,2103.0,higher,1,alternate,-1482.03763071,-1481.99319951,-27.881,0
reaction_qm,RXN_0000126263,15,6,CHPSSi,0,1,2,1,0,2146.6,lower,3,alternate,-1148.53754953,-1148.55350467,10.012,0
reaction_qm,RXN_0000126404,19,8,CHOPSSi,0,1,2,1,0,2075.2,no_channel,0,,-1263.07249570,,,0
reaction_qm,RXN_0000126783,20,8,CClFHSi,0,1,2,1,0,2349.3,no_channel,0,,-1047.13540356,,,0
reaction_qm,RXN_0000127178,21,10,CHNOS,0,1,2,1,0,2390.6,lower,2,channel,-834.52466108,-834.52993431,3.309,0
reaction_qm,RXN_0000128216,19,9,CClHNP,0,1,1,1,0,2195.6,higher,1,alternate,-1713.86546145,-1713.82152267,-27.572,0
reaction_qm,RXN_0000128853,18,7,CHNOSi,0,1,1,1,0,2179.5,matched,2,channel,-578.35360266,-578.35404568,0.278,0
reaction_qm,RXN_0000130227,23,9,CHO,0,1,2,1,-1,2700.1,no_channel,0,,-388.27270026,,,0
reaction_qm,RXN_0000130651,21,9,CHNOP,0,1,2,1,0,2504.6,lower,1,channel,-818.42452465,-818.43411335,6.017,0
reaction_qm,RXN_0000130713,13,6,CHNS,0,1,1,1,0,2054.6,matched,1,channel,-642.73443788,-642.73466736,0.144,0
reaction_qm,RXN_0000013835,22,9,CHNOPS,0,1,2,1,0,2021.1,no_channel,0,,-1084.45246939,,,0
reaction_qm,RXN_0000131797,19,10,CHOPS,0,1,2,1,0,2109.9,matched,1,alternate,-1446.86597295,-1446.86488930,-0.68,0
reaction_qm,RXN_0000132405,14,9,CHNOS,0,1,3,1,0,2029.9,no_channel,0,,-871.08078353,,,0
reaction_qm,RXN_0000014200,25,10,CHOP,0,1,1,1,0,2314.9,lower,1,alternate,-730.23964324,-730.28995005,31.568,0
reaction_qm,RXN_0000014579,13,7,CHO,0,1,1,1,0,2014.2,lower,2,channel,-381.74779181,-381.75073838,1.849,0
reaction_qm,RXN_0000015186,18,7,CHNP,0,1,2,1,0,2160.1,matched,3,channel,-896.30729001,-896.30868441,0.875,0
reaction_qm,RXN_0000015440,21,9,CClHNOSi,0,1,2,1,0,2069.1,lower,1,channel,-1365.84746098,-1365.85489354,4.664,0
reaction_qm,RXN_0000015907,17,8,CHPS,0,1,2,1,0,2121.0,matched,1,channel,-1333.48355002,-1333.48487271,0.83,0
reaction_qm,RXN_0000010996,16,9,CHNO,0,1,2,2,0,2150.7,lower,3,alternate,-504.58749528,-504.65248713,40.783,0
reaction_qm,RXN_0000012289,23,10,CHNO,0,1,1,2,0,2164.7,no_channel,0,,-479.51302356,,,0
reaction_qm,RXN_0000012829,18,8,CHNSSi,0,1,2,2,0,2246.8,lower,1,channel,-955.44565414,-955.44969073,2.533,0
reaction_qm,RXN_0000013546,14,10,CHNO,0,1,1,2,0,1623.5,matched,1,channel,-524.09804044,-524.09804522,0.003,0
reaction_qm,RXN_0000015129,18,9,CFHNOS,0,1,2,2,0,1981.2,higher,1,channel,-922.77124175,-922.76510798,-3.849,0
reaction_qm,RXN_0000015423,12,7,CHOPS,0,1,1,2,0,1699.6,matched,1,channel,-1330.16911571,-1330.16912368,0.005,0
reaction_qm,RXN_0000016623,21,9,CHNS,0,1,2,2,0,2450.2,no_channel,0,,-776.70705230,,,0
reaction_qm,RXN_0000016420,27,9,CHNOSi,0,1,2,1,0,2380.3,no_channel,0,,-675.44176359,,,0
reaction_qm,RXN_0000018301,16,9,CHNOS,0,1,2,2,0,2081.5,lower,2,channel,-835.11454171,-835.11879025,2.666,0
reaction_qm,RXN_0000019430,20,7,CHNPSi,0,1,1,2,0,773.2,no_channel,0,,-1148.93661783,,,0
reaction_qm,RXN_0000100372,21,10,CHNOPS,0,1,2,2,0,2048.5,no_channel,0,,-1841.43427106,,,0
reaction_qm,RXN_0000101332,13,10,CFHN,0,1,3,2,0,2112.5,no_channel,0,,-769.84583739,,,0
reaction_qm,RXN_0000102495,9,6,CHNOP,0,1,3,2,0,183.1,no_channel,0,,-641.14964241,,,0
reaction_qm,RXN_0000103981,23,10,CClHNOP,0,1,2,2,0,2029.1,lower,3,channel,-1893.14416334,-1893.15252337,5.246,0
reaction_qm,RXN_0000104350,22,7,CHPSi,0,1,2,2,0,2026.8,no_channel,0,,-1081.56627808,,,0
reaction_qm,RXN_0000105017,12,7,CClFH,0,1,2,2,0,2148.6,lower,2,channel,-815.15122782,-815.15799425,4.246,0
reaction_qm,RXN_0000105866,21,10,CClHNO,0,1,2,2,-1,2700.1,no_channel,0,,-917.17119436,,,0
reaction_qm,RXN_0000106745,21,8,CHNOPS,0,1,2,2,0,2050.9,lower,4,channel,-1046.24461490,-1046.25309445,5.321,0
reaction_qm,RXN_0000108524,17,6,CHOPS,0,1,2,2,0,1989.9,higher,1,alternate,-935.49793449,-935.48066622,-10.836,0
reaction_qm,RXN_0000108974,12,8,CHNOPS,0,1,1,2,-1,2700.2,no_channel,0,,-1061.35923495,,,0
reaction_qm,RXN_0000110025,20,9,CHNOSi,0,1,2,2,0,2063.8,lower,1,channel,-687.78274323,-687.78517825,1.528,0
reaction_qm,RXN_0000111385,25,9,CFHNSi,0,1,2,2,0,2064.4,lower,1,channel,-933.55868846,-933.60180335,27.055,0
reaction_qm,RXN_0000113159,24,8,CHSi,0,1,2,2,0,2102.4,lower,1,channel,-816.95618879,-816.97303156,10.569,0
reaction_qm,RXN_0000114314,20,8,CHNOPS,0,1,2,2,0,2247.0,lower,1,alternate,-1028.94507644,-1029.00840297,39.738,0
reaction_qm,RXN_0000114587,11,5,CFHNSi,0,1,2,2,0,433.3,matched,1,channel,-523.85576027,-523.85576186,0.001,0
reaction_qm,RXN_0000115826,18,9,CHNO,0,1,1,2,0,1966.0,matched,3,channel,-472.41361922,-472.41483673,0.764,0
reaction_qm,RXN_0000117002,16,7,CHNS,0,1,2,2,0,2272.0,no_channel,0,,-715.28545326,,,0
reaction_qm,RXN_0000117715,17,10,CFHS,0,1,1,2,0,2360.6,no_channel,0,,-1650.69545260,,,0
reaction_qm,RXN_0000119504,14,7,CHNOP,0,1,1,2,0,2190.3,no_channel,0,,-644.41170677,,,0
reaction_qm,RXN_0000120770,14,8,CHNO,0,1,1,2,0,88.2,matched,1,channel,-378.70408833,-378.70408992,0.001,0
reaction_qm,RXN_0000122052,20,10,CClHNOSi,0,1,2,2,0,2035.2,matched,1,alternate,-1188.40356902,-1188.40384949,0.176,0
reaction_qm,RXN_0000124513,15,7,CFHP,0,1,2,2,0,2365.5,no_channel,0,,-1242.86186894,,,0
reaction_qm,RXN_0000125271,13,9,CFHNOP,0,1,1,2,0,2005.6,no_channel,0,,-937.01001961,,,0
reaction_qm,RXN_0000126040,18,9,CClHOSi,0,1,2,2,0,1998.1,no_channel,0,,-1940.36128297,,,0
reaction_qm,RXN_0000127777,13,7,CFHNOSi,0,1,1,2,0,2287.6,lower,2,alternate,-637.06209997,-637.10163404,24.808,0
reaction_qm,RXN_0000128177,11,6,CHPSSi,0,1,1,2,0,166.9,matched,1,channel,-1506.37195142,-1506.37195301,0.001,0
reaction_qm,RXN_0000129736,12,8,CClHNOP,0,1,1,2,0,929.9,no_channel,0,,-1102.87300776,,,0
reaction_qm,RXN_0000130218,9,8,CFHNO,0,1,1,2,0,1163.9,lower,1,channel,-605.99499062,-606.06654013,44.898,0
reaction_qm,RXN_0000130587,15,9,CFHNOS,0,1,2,2,0,2050.3,matched,2,channel,-1219.26747835,-1219.26748472,0.004,0
reaction_qm,RXN_0000131502,16,10,CClHOSi,0,1,1,2,0,2064.8,no_channel,0,,-2361.36054604,,,0
reaction_qm,RXN_0000131933,12,7,CClHOPSi,0,1,1,2,0,1225.7,lower,1,channel,-1586.78995904,-1586.79827764,5.22,0
reaction_qm,RXN_0000133227,19,10,CClHNO,0,1,1,2,0,2269.1,no_channel,0,,-915.92394519,,,0
reaction_qm,RXN_0000134225,21,10,CFHNOP,0,1,2,2,0,2016.1,higher,1,channel,-884.81673115,-884.80638389,-6.493,0
reaction_qm,RXN_0000134930,16,9,CHNOP,0,1,1,2,0,1933.9,lower,2,alternate,-794.97256292,-794.99003039,10.961,0
reaction_qm,RXN_0000135628,17,7,CHNPSi,0,1,1,2,0,2119.4,no_channel,0,,-1095.25298724,,,0
reaction_qm,RXN_0000136798,13,6,CClFHNO,0,1,2,2,0,2047.2,matched,2,alternate,-770.34918705,-770.34789623,-0.81,0
reaction_qm,RXN_0000137475,13,7,CHNOS,0,1,2,2,0,2164.5,no_channel,0,,-737.73961779,,,0
reaction_qm,RXN_0000137950,17,6,CHNPSi,0,1,2,2,0,2198.3,no_channel,0,,-1109.63145341,,,0
reaction_qm,RXN_0000138552,11,4,CHPS,0,1,2,2,0,134.0,higher,1,channel,-819.76916684,-819.74986036,-12.115,0
reaction_qm,RXN_0000139888,14,10,CClFHP,0,1,2,2,0,2106.8,matched,1,channel,-1355.62669731,-1355.62670050,0.002,0
reaction_qm,RXN_0000141389,12,7,CHNOP,0,1,2,2,0,1993.8,no_channel,0,,-680.42411909,,,0
reaction_qm,RXN_0000142297,15,9,CClHS,0,1,2,2,0,2281.0,matched,1,channel,-2394.82281793,-2394.82281634,-0.001,0
reaction_qm,RXN_0000142732,14,8,CHPS,0,1,1,2,0,1748.1,no_channel,0,,-1634.83117310,,,0
reaction_qm,RXN_0000143661,15,7,CHNS,0,1,1,2,0,2563.5,higher,1,alternate,-664.72759303,-664.72356600,-2.527,0
reaction_qm,RXN_0000144628,16,8,CHO,0,1,1,2,0,1949.7,lower,1,alternate,-458.01879551,-458.05390096,22.029,0
reaction_qm,RXN_0000146237,18,8,CHOPSi,0,1,1,2,0,2225.1,no_channel,0,,-1457.08099505,,,0
reaction_qm,RXN_0000147530,25,8,CHNPSSi,0,1,3,2,0,2376.0,no_channel,0,,-1262.88663894,,,0
reaction_qm,RXN_0000148452,20,8,CHNOPSi,0,1,2,2,0,2224.8,no_channel,0,,-920.29372087,,,0
reaction_qm,RXN_0000149709,17,7,CHSSi,0,1,2,2,0,2301.3,higher,1,channel,-1135.38170039,-1135.33850901,-27.103,0
reaction_qm,RXN_0000150903,20,10,CClHOPSi,0,1,2,2,0,2017.7,lower,3,channel,-1549.41939099,-1549.43068166,7.085,0
reaction_qm,RXN_0000152062,16,9,CClFHO,0,1,2,2,0,2097.2,no_channel,0,,-929.59876137,,,0
reaction_qm,RXN_0000153067,23,9,CHNOP,0,1,2,2,0,2086.0,no_channel,0,,-745.33052841,,,0
reaction_qm,RXN_0000153595,14,7,CHNOS,0,1,2,2,0,2059.5,matched,2,channel,-684.61555383,-684.61607494,0.327,0
reaction_qm,RXN_0000017010,13,7,CClHOP,0,1,1,1,0,2005.8,no_channel,0,,-1069.67196504,,,0
reaction_qm,RXN_0000017604,17,9,CClFHO,0,1,1,1,0,2085.0,matched,3,channel,-905.74905439,-905.74983526,0.49,0
reaction_qm,RXN_0000018611,24,9,CHNSSi,0,1,2,1,0,2152.6,matched,3,channel,-979.95440031,-979.95498995,0.37,0
reaction_qm,RXN_0000019766,19,10,CHOPS,0,1,1,1,0,1906.6,matched,2,channel,-1807.01814150,-1807.01887137,0.458,0
reaction_qm,RXN_0000100453,10,7,CClHO,0,1,2,1,0,1978.4,lower,2,channel,-838.99242937,-839.00373757,7.096,0
reaction_qm,RXN_0000101222,18,8,CHPSi,0,1,1,1,-1,2700.1,no_channel,0,,-1419.90972459,,,0
reaction_qm,RXN_0000102099,17,10,CHNO,0,1,2,1,0,2429.4,no_channel,0,,-550.28019185,,,0
reaction_qm,RXN_0000102319,12,8,CClHNOS,0,1,2,1,0,2070.7,matched,1,channel,-1581.90715225,-1581.90716978,0.011,0
reaction_qm,RXN_0000010729,14,7,CHOPSi,0,1,2,1,0,2083.8,no_channel,0,,-1469.03015878,,,0
reaction_qm,RXN_0000011161,23,9,CHOPSi,0,1,2,1,0,2299.2,no_channel,0,,-1246.18931217,,,0
reaction_qm,RXN_0000103878,16,6,CHS,0,1,2,1,0,2132.1,no_channel,0,,-954.65283280,,,0
reaction_qm,RXN_0000104170,18,9,CFHNOPSi,0,1,2,1,0,1981.2,lower,2,alternate,-1055.61559925,-1055.64748244,20.007,0
reaction_qm,RXN_0000104429,14,6,CClHPSSi,0,1,2,1,-1,2700.1,no_channel,0,,-1570.13598875,,,0
reaction_qm,RXN_0000104873,12,5,CHNO,0,1,2,1,0,2366.2,lower,4,channel,-248.34520018,-248.35538488,6.391,0
reaction_qm,RXN_0000105991,22,10,CHNOPS,0,1,2,1,-1,2700.2,no_channel,0,,-1142.45335006,,,0
reaction_qm,RXN_0000106581,11,10,CFHNOP,0,1,1,1,0,1275.9,lower,3,channel,-1084.55925540,-1084.56794530,5.453,0
reaction_qm,RXN_0000107188,17,8,CClHPSi,0,1,1,1,0,2017.1,lower,2,channel,-2211.78411288,-2211.79020681,3.824,0
reaction_qm,RXN_0000011637,16,8,CHNOS,0,1,2,1,0,2220.9,no_channel,0,,-1137.24909952,,,0
reaction_qm,RXN_0000107817,14,6,CHNOSi,0,1,2,1,0,2033.2,matched,2,channel,-555.06399162,-555.06404580,0.034,0
reaction_qm,RXN_0000108557,15,7,CClHNO,0,1,2,1,0,2080.1,no_channel,0,,-747.22293435,,,0
reaction_qm,RXN_0000108896,21,10,CHNOS,0,1,1,1,0,2386.3,lower,2,channel,-875.59264325,-875.63447210,26.248,0
reaction_qm,RXN_0000109939,21,10,CClHNOP,0,1,2,1,-1,2700.2,no_channel,0,,-1166.64141094,,,0
reaction_qm,RXN_0000110712,14,9,CHNOSi,0,1,1,1,0,2000.3,no_channel,0,,-762.27654136,,,0
reaction_qm,RXN_0000111261,17,9,CHNO,0,1,1,1,0,2052.2,matched,1,channel,-417.92919379,-417.92916829,-0.016,0
reaction_qm,RXN_0000112361,14,8,CHNOP,0,1,1,1,0,2152.2,matched,1,channel,-1309.04247207,-1309.04248641,0.009,0
reaction_qm,RXN_0000113623,11,6,CHNOSi,0,1,1,1,0,1908.1,higher,1,channel,-573.79046950,-573.78657155,-2.446,0
reaction_qm,RXN_0000114025,21,9,CHNPS,0,1,2,1,0,2490.2,no_channel,0,,-1349.79912084,,,0
reaction_qm,RXN_0000114551,19,10,CClHNSSi,0,1,2,1,0,2203.8,lower,2,alternate,-1846.65363051,-1846.65586474,1.402,0
reaction_qm,RXN_0000012437,15,8,CClHOPSSi,0,1,1,1,0,1957.7,higher,2,channel,-2105.04152464,-2105.03961391,-1.199,0
reaction_qm,RXN_0000116026,19,9,CClHOPS,0,1,2,1,0,2289.1,no_channel,0,,-1471.29963795,,,0
reaction_qm,RXN_0000116449,12,6,CHNPS,0,1,1,1,0,2275.0,higher,1,alternate,-1272.17954372,-1272.15882690,-13.0,0
reaction_qm,RXN_0000117266,8,5,CClHOP,0,1,2,1,0,637.2,no_channel,0,,-1376.76708921,,,0
reaction_qm,RXN_0000118124,9,6,CHNOS,0,1,3,1,0,2114.1,no_channel,0,,-681.20125649,,,0
reaction_qm,RXN_0000012783,18,10,CClHOP,0,1,2,1,0,2248.1,no_channel,0,,-1222.47898904,,,0
reaction_qm,RXN_0000119208,16,10,CClFHO,0,1,1,1,0,2293.6,lower,1,alternate,-1029.00394569,-1029.02715012,14.561,0
reaction_qm,RXN_0000119733,13,7,CHNPS,0,1,1,1,0,2054.7,matched,1,channel,-1556.69693186,-1556.69598048,-0.597,0
reaction_qm,RXN_0000121412,14,7,CFHN,0,1,2,1,0,2054.2,no_channel,0,,-365.82683608,,,0
reaction_qm,RXN_0000121657,18,8,CHSSi,0,1,1,1,0,2137.7,lower,2,alternate,-2036.43392984,-2036.45945137,16.015,0
reaction_qm,RXN_0000013179,15,8,CHNO,0,1,1,1,0,2268.4,higher,1,channel,-436.94791677,-436.91200814,-22.533,0
reaction_qm,RXN_0000123097,16,8,CHNOS,0,1,1,1,0,2329.0,matched,1,channel,-1100.04850641,-1100.04841717,-0.056,0
reaction_qm,RXN_0000123807,26,10,CHSSi,0,1,1,1,0,2104.6,no_channel,0,,-1756.10831984,,,0
reaction_qm,RXN_0000124413,12,6,CClFHSi,0,1,1,1,0,1953.3,lower,1,channel,-967.26801955,-967.26969124,1.049,0
reaction_qm,RXN_0000124805,16,10,CClFHOPSi,0,1,2,1,0,2249.0,no_channel,0,,-1882.30807077,,,0
reaction_qm,RXN_0000125096,13,6,CHOPSi,0,1,1,1,0,2064.5,no_channel,0,,-824.40585862,,,0
reaction_qm,RXN_0000126084,27,9,CHSi,0,1,1,1,0,2587.3,matched,1,channel,-1359.08056568,-1359.08005892,-0.318,0
reaction_qm,RXN_0000126270,20,9,CHNOP,0,1,1,1,0,2161.7,no_channel,0,,-760.25804033,,,0
reaction_qm,RXN_0000126438,14,8,CHOPS,0,1,2,1,0,1953.5,no_channel,0,,-1386.38532169,,,0
reaction_qm,RXN_0000126829,13,6,CHOPSi,0,1,1,1,0,1975.4,lower,1,channel,-861.60094720,-861.60451050,2.236,0
reaction_qm,RXN_0000127407,13,6,CHPS,0,1,2,1,0,221.5,no_channel,0,,-1502.47496166,,,0
reaction_qm,RXN_0000128516,18,9,CHNOSi,0,1,1,1,0,2001.6,no_channel,0,,-690.49429179,,,0
reaction_qm,RXN_0000129056,22,10,CFHOPSSi,0,1,2,1,0,2368.8,no_channel,0,,-1799.06242934,,,0
reaction_qm,RXN_0000130256,22,9,CHOPSi,0,1,1,1,-1,2700.2,no_channel,0,,-1016.63658940,,,0
reaction_qm,RXN_0000130677,16,10,CHNOSi,0,1,2,1,0,2291.3,no_channel,0,,-817.89534180,,,0
reaction_qm,RXN_0000130726,9,4,CHNO,0,1,1,1,0,1365.7,matched,1,channel,-246.17997582,-246.18087939,0.567,0
reaction_qm,RXN_0000131446,18,7,CHNPSi,0,1,1,1,0,2495.3,no_channel,0,,-1147.70806059,,,0
reaction_qm,RXN_0000131833,15,10,CClFHP,0,1,1,1,0,2147.1,matched,2,channel,-1896.34966574,-1896.34966095,-0.003,0
reaction_qm,RXN_0000013936,16,7,CHNOS,0,1,1,1,0,2125.4,matched,1,channel,-685.87763787,-685.87763787,-0.0,0
reaction_qm,RXN_0000014414,21,10,CHNOP,0,1,2,1,0,2139.6,lower,2,channel,-835.37570867,-835.38086397,3.235,0
reaction_qm,RXN_0000014599,16,8,CHNPS,0,1,3,1,0,1641.1,no_channel,0,,-989.42856405,,,0
reaction_qm,RXN_0000015372,17,6,CHNP,0,1,2,1,0,2025.0,no_channel,0,,-571.65135779,,,0
reaction_qm,RXN_0000015732,13,6,CHOPSi,0,1,2,1,0,2124.4,no_channel,0,,-824.41191315,,,0
reaction_qm,RXN_0000015936,24,10,CFHNOSi,0,1,2,1,0,2016.6,no_channel,0,,-793.35357578,,,0
reaction_qm,RXN_0000011334,12,9,CClFHNO,0,1,1,2,0,1044.6,matched,2,channel,-882.24356790,-882.24356790,0.0,0
reaction_qm,RXN_0000012432,21,10,CFHOS,0,1,2,2,0,2174.5,matched,1,channel,-1206.57107824,-1206.57109258,0.009,0
reaction_qm,RXN_0000013193,24,10,CHNOSSi,0,1,1,2,0,2317.1,higher,2,channel,-1322.64966261,-1322.64792718,-1.089,0
reaction_qm,RXN_0000014114,19,10,CClFHN,0,1,1,2,0,2088.3,matched,1,channel,-920.02398754,-920.02400667,0.012,0
reaction_qm,RXN_0000015156,21,9,CHNOPS,0,1,1,2,0,2094.3,lower,1,alternate,-1104.33619163,-1104.34896594,8.016,0
reaction_qm,RXN_0000015997,17,8,CHNO,0,1,2,2,0,2138.0,lower,2,channel,-363.84579413,-363.85317888,4.634,0
reaction_qm,RXN_0000016715,13,9,CHOPS,0,1,2,2,0,723.6,no_channel,0,,-1955.42696129,,,0
reaction_qm,RXN_0000017252,13,8,CFHOS,0,1,1,2,0,1995.5,lower,5,alternate,-840.93184197,-840.96701753,22.073,0
reaction_qm,RXN_0000018743,17,9,CHOS,0,1,1,2,0,1661.7,no_channel,0,,-744.64437460,,,0
reaction_qm,RXN_0000019647,18,10,CHNOPS,0,1,2,2,-1,2700.1,no_channel,0,,-1136.09776364,,,0
reaction_qm,RXN_0000100441,14,8,CHOPS,0,1,1,2,0,2121.6,matched,1,alternate,-1672.10817476,-1672.10794847,-0.142,0
reaction_qm,RXN_0000101338,19,9,CHOPS,0,1,2,2,0,2157.7,higher,1,channel,-1389.52111269,-1389.51776134,-2.103,0
reaction_qm,RXN_0000102696,23,9,CHN,0,1,2,2,0,2121.5,no_channel,0,,-384.46085608,,,0
reaction_qm,RXN_0000104075,14,7,CHNOSi,0,1,1,2,0,2461.9,matched,2,channel,-864.47362278,-864.47361481,-0.005,0
reaction_qm,RXN_0000104466,10,8,CHNOS,0,1,1,2,0,2622.8,matched,1,channel,-810.67172973,-810.67172814,-0.001,0
reaction_qm,RXN_0000105315,16,8,CHOSi,0,1,1,2,0,2236.1,lower,2,alternate,-672.38603345,-672.39130668,3.309,0
reaction_qm,RXN_0000105867,21,10,CClHOSi,0,1,2,2,0,2013.6,no_channel,0,,-1498.16486742,,,0
reaction_qm,RXN_0000016513,19,7,CH,0,1,2,1,0,2067.7,no_channel,0,,-273.64205977,,,0
reaction_qm,RXN_0000108629,15,6,CHOP,0,1,2,2,0,2005.4,higher,1,channel,-574.24768941,-574.21525802,-20.351,0
reaction_qm,RXN_0000109424,22,10,CHNOP,0,1,2,2,0,2253.6,no_channel,0,,-852.50961636,,,0
reaction_qm,RXN_0000110405,9,6,CClFHOP,0,1,1,2,0,1998.1,matched,1,channel,-1091.79669138,-1091.79669297,0.001,0
reaction_qm,RXN_0000112869,15,6,CHOPSi,0,1,2,2,0,2339.1,lower,3,alternate,-862.75078693,-862.76875160,11.273,0
reaction_qm,RXN_0000113881,13,7,CFHNOSi,0,1,1,2,0,2052.9,no_channel,0,,-888.63822999,,,0
reaction_qm,RXN_0000114361,20,9,CFHNP,0,1,2,2,0,2047.8,matched,1,channel,-730.93287625,-730.93287306,-0.002,0
reaction_qm,RXN_0000114943,21,10,CFHNS,0,1,2,2,0,2237.6,no_channel,0,,-909.10132202,,,0
reaction_qm,RXN_0000116160,12,8,CClHOS,0,1,2,2,0,2694.4,matched,2,channel,-1908.60628824,-1908.60723643,0.595,0
reaction_qm,RXN_0000117144,12,6,CHOS,0,1,2,2,0,1978.6,lower,1,alternate,-1026.46330551,-1026.52347194,37.755,0
reaction_qm,RXN_0000118004,20,9,CHNOSi,0,1,2,2,0,2049.1,no_channel,0,,-765.84906255,,,0
reaction_qm,RXN_0000120242,22,9,CHNS,0,1,1,2,0,1808.8,no_channel,0,,-727.27044944,,,0
reaction_qm,RXN_0000120864,14,9,CClHNP,0,1,1,2,0,1447.3,matched,2,channel,-1813.07530597,-1813.07529162,-0.009,0
reaction_qm,RXN_0000123727,17,10,CFHNO,0,1,2,2,0,1946.7,lower,1,channel,-517.22276869,-517.23000683,4.542,0
reaction_qm,RXN_0000124962,8,6,CFHNOS,0,1,1,2,0,267.6,matched,1,channel,-742.40082788,-742.40082788,-0.0,0
reaction_qm,RXN_0000125293,17,9,CFHNOS,0,1,1,2,0,2000.6,higher,2,channel,-860.45833529,-860.44465263,-8.586,0
reaction_qm,RXN_0000126220,23,10,CHNO,0,1,3,2,0,2259.9,no_channel,0,,-442.47887898,,,0
reaction_qm,RXN_0000127884,12,10,CFHNO,0,1,1,2,0,2379.3,no_channel,0,,-699.55881033,,,0
reaction_qm,RXN_0000128781,13,9,CClFHO,0,1,1,2,0,2105.2,matched,2,channel,-1710.33917051,-1710.33917689,0.004,0
reaction_qm,RXN_0000129852,17,7,CHNOPS,0,1,2,2,0,2000.0,lower,2,channel,-989.71378325,-989.71887162,3.193,0
reaction_qm,RXN_0000130348,20,9,CHOPSSi,0,1,1,2,0,2508.6,no_channel,0,,-2159.12931534,,,0
reaction_qm,RXN_0000130753,10,7,CClHNP,0,1,2,2,0,2166.5,matched,1,channel,-1449.04022922,-1449.04044914,0.138,0
reaction_qm,RXN_0000131558,22,10,CFHOPSSi,0,1,2,2,0,2192.1,no_channel,0,,-1476.13903554,,,0
reaction_qm,RXN_0000132281,16,10,CHOS,0,1,1,2,0,2152.5,no_channel,0,,-1178.92113681,,,0
reaction_qm,RXN_0000133628,17,10,CClHOS,0,1,1,2,0,1967.6,no_channel,0,,-1204.34670996,,,0
reaction_qm,RXN_0000134306,15,7,CHNO,0,1,2,2,0,2011.9,matched,2,channel,-378.93993705,-378.93838010,-0.977,0
reaction_qm,RXN_0000134956,22,9,CHNOPSi,0,1,2,2,0,2088.6,no_channel,0,,-1012.75581574,,,0
reaction_qm,RXN_0000135654,13,9,CClHNO,0,1,2,2,0,2330.0,matched,1,channel,-1296.93560525,-1296.93560206,-0.002,0
reaction_qm,RXN_0000136869,14,9,CClFHOP,0,1,1,2,0,2059.2,lower,1,alternate,-1207.23196498,-1207.26441867,20.365,0
reaction_qm,RXN_0000137610,17,8,CClHS,0,1,2,2,0,2412.3,lower,1,channel,-1452.31991771,-1452.34009430,12.661,0
reaction_qm,RXN_0000137982,27,9,CClHPSi,0,1,2,2,0,2005.9,lower,1,channel,-1330.27136965,-1330.27447877,1.951,0
reaction_qm,RXN_0000138632,14,7,CHNOP,0,1,2,2,0,2242.3,no_channel,0,,-644.36907476,,,0
reaction_qm,RXN_0000140338,13,9,CClHNOSSi,0,1,2,2,0,2236.4,lower,2,alternate,-1506.81641917,-1506.82426925,4.926,0
reaction_qm,RXN_0000141393,18,7,CHNSSi,0,1,1,2,-1,2700.2,no_channel,0,,-901.28514067,,,0
reaction_qm,RXN_0000142370,13,7,CClHNOS,0,1,1,2,0,1985.5,no_channel,0,,-1106.22842741,,,0
reaction_qm,RXN_0000143110,19,8,CHNO,0,1,1,2,0,2096.8,matched,1,channel,-365.05188911,-365.05187636,-0.008,0
reaction_qm,RXN_0000143722,20,8,CFHNSi,0,1,1,2,-1,2700.2,no_channel,0,,-641.66969240,,,0
reaction_qm,RXN_0000145444,20,10,CHNPS,0,1,2,2,0,2177.3,lower,1,channel,-1787.09288563,-1787.09471349,1.147,0
reaction_qm,RXN_0000146623,19,8,CClHNSi,0,1,2,2,0,2103.0,no_channel,0,,-1423.45185760,,,0
reaction_qm,RXN_0000147594,20,9,CHNOP,0,1,1,2,0,2134.0,higher,1,channel,-1009.65892018,-1009.65439914,-2.837,0
reaction_qm,RXN_0000148744,15,7,CClHNO,0,1,2,2,0,2093.7,lower,1,alternate,-747.18949519,-747.20175796,7.695,0
reaction_qm,RXN_0000149982,14,9,CClFHOS,0,1,1,2,0,1027.8,matched,1,channel,-1288.63115138,-1288.63115776,0.004,0
reaction_qm,RXN_0000151158,20,10,CHS,0,1,1,2,0,2541.0,no_channel,0,,-1827.16685183,,,0
reaction_qm,RXN_0000152086,15,8,CClFHNOS,0,1,2,2,0,2096.7,no_channel,0,,-1206.58376713,,,0
reaction_qm,RXN_0000153092,16,9,CHNPS,0,1,1,2,0,1497.4,no_channel,0,,-1330.14802950,,,0
reaction_qm,RXN_0000153755,18,10,CFHNOSSi,0,1,2,2,0,1951.1,no_channel,0,,-1145.98905759,,,0
reaction_qm,RXN_0000017523,17,7,CHNO,0,1,2,1,0,2177.7,no_channel,0,,-342.99942966,,,0
reaction_qm,RXN_0000017878,19,7,CHOSSi,0,1,2,1,-1,2700.1,no_channel,0,,-1173.80816005,,,0
reaction_qm,RXN_0000019056,16,10,CClHNSi,0,1,1,1,0,2304.1,matched,2,channel,-3014.56640293,-3014.56797900,0.989,0
reaction_qm,RXN_0000019819,15,5,CHSi,0,1,1,1,0,775.5,no_channel,0,,-950.45733956,,,0
reaction_qm,RXN_0000101051,24,10,CHOSi,0,1,3,1,0,2507.6,higher,1,channel,-751.98824323,-751.96801564,-12.693,0
reaction_qm,RXN_0000101361,15,7,CHNP,0,1,1,1,-1,2700.1,no_channel,0,,-911.14223203,,,0
reaction_qm,RXN_0000102129,8,6,CFHNO,0,1,1,1,0,389.6,no_channel,0,,-345.13390404,,,0
reaction_qm,RXN_0000102741,20,10,CHNOP,0,1,2,1,0,2248.6,no_channel,0,,-855.39565804,,,0
reaction_qm,RXN_0000010830,17,9,CHOP,0,1,1,1,0,2313.3,lower,2,alternate,-1102.61187467,-1102.64149972,18.59,0
reaction_qm,RXN_0000103100,21,9,CFHNP,0,1,2,1,0,2113.3,no_channel,0,,-748.25525925,,,0
reaction_qm,RXN_0000103970,21,8,CHP,0,1,1,1,0,2237.0,matched,2,channel,-615.73459274,-615.73459593,0.002,0
reaction_qm,RXN_0000104185,15,7,CHOPS,0,1,2,1,0,2039.8,higher,1,alternate,-1275.08594048,-1275.08160907,-2.718,0
reaction_qm,RXN_0000104508,19,7,CHNPS,0,1,2,1,0,2628.0,no_channel,0,,-953.76256059,,,0
reaction_qm,RXN_0000105393,18,9,CClHNOP,0,1,2,1,0,2084.1,no_channel,0,,-1160.56179349,,,0
reaction_qm,RXN_0000106145,16,9,CHNS,0,1,2,1,-1,2700.2,no_channel,0,,-1117.12204620,,,0
reaction_qm,RXN_0000106776,22,9,CFHP,0,1,3,1,0,2575.6,higher,1,alternate,-777.30467585,-777.26363583,-25.753,0
reaction_qm,RXN_0000011606,10,7,CHOPSSi,0,1,1,1,0,750.7,lower,1,channel,-1580.33991703,-1580.34188832,1.237,0
reaction_qm,RXN_0000107573,17,9,CFHSi,0,1,2,1,0,2016.9,higher,1,channel,-846.01205416,-846.00043840,-7.289,0
reaction_qm,RXN_0000107997,14,6,CClHP,0,1,2,1,0,1990.3,lower,2,channel,-958.59864672,-958.60460041,3.736,0
reaction_qm,RXN_0000108639,25,9,CFHPSi,0,1,2,1,0,2482.0,matched,1,channel,-968.85507218,-968.85609846,0.644,0
reaction_qm,RXN_0000109601,23,9,CHNOSSi,0,1,3,1,0,2260.5,lower,3,channel,-1033.04173240,-1033.09096035,30.891,0
reaction_qm,RXN_0000110206,17,8,CHOPS,0,1,2,1,0,2115.4,lower,1,alternate,-1047.64242936,-1047.65670644,8.959,0
reaction_qm,RXN_0000110785,11,7,CClHNPSi,0,1,2,1,0,271.7,matched,1,channel,-1278.97476161,-1278.97475523,-0.004,0
reaction_qm,RXN_0000111426,19,8,CHN,0,1,1,1,0,2429.5,matched,1,channel,-361.20443840,-361.20444158,0.002,0
reaction_qm,RXN_0000112401,15,8,CHNOPSi,0,1,1,1,0,970.4,matched,1,channel,-933.98937336,-933.98940205,0.018,0
reaction_qm,RXN_0000113800,14,8,CClHOPSSi,0,1,1,1,0,2264.8,no_channel,0,,-2042.42804583,,,0
reaction_qm,RXN_0000114217,20,9,CClHOPS,0,1,2,1,0,2052.2,no_channel,0,,-1775.22843343,,,0
reaction_qm,RXN_0000114844,16,9,CHOPS,0,1,2,1,0,2185.8,no_channel,0,,-1196.11544902,,,0
reaction_qm,RXN_0000115755,17,8,CHNOSSi,0,1,2,1,0,2055.9,matched,1,channel,-975.34486293,-975.34527249,0.257,0
reaction_qm,RXN_0000116097,14,7,CFHOS,0,1,2,1,0,2246.7,no_channel,0,,-729.68375316,,,0
reaction_qm,RXN_0000012544,15,8,CHNO,0,1,1,1,0,2182.3,matched,1,channel,-436.96785437,-436.96676116,-0.686,0
reaction_qm,RXN_0000117397,15,10,CFHNO,0,1,2,1,0,1990.2,higher,2,channel,-713.89971531,-713.89735519,-1.481,0
reaction_qm,RXN_0000118435,22,10,CHNOPS,0,1,2,1,0,2291.2,no_channel,0,,-1105.18143201,,,0
reaction_qm,RXN_0000118754,13,6,CHPSi,0,1,1,1,0,2022.5,matched,2,channel,-787.21860139,-787.21860139,-0.0,0
reaction_qm,RXN_0000119218,13,6,CFHPS,0,1,2,1,0,2414.1,lower,3,alternate,-1260.94002544,-1260.96112791,13.242,0
reaction_qm,RXN_0000119779,16,8,CHO,0,1,1,1,0,2017.4,lower,1,alternate,-420.84287967,-420.84847799,3.513,0
reaction_qm,RXN_0000121501,19,9,CFHNOP,0,1,1,1,0,2158.2,matched,1,channel,-1108.05784821,-1108.05784980,0.001,0
reaction_qm,RXN_0000121996,13,10,CHNOSSi,0,1,1,1,0,2083.3,lower,1,alternate,-1118.56317153,-1118.62832593,40.885,0
reaction_qm,RXN_0000013190,13,8,CFHSSi,0,1,1,1,0,2171.0,matched,1,alternate,-2061.23506083,-2061.23461143,-0.282,0
reaction_qm,RXN_0000123453,19,8,CHOPSi,0,1,1,1,0,2459.1,matched,2,channel,-903.05579954,-903.05430474,-0.938,0
reaction_qm,RXN_0000124117,14,7,CFHOS,0,1,2,1,0,2171.4,no_channel,0,,-1089.81470062,,,0
reaction_qm,RXN_0000124671,18,9,CFHNOPS,0,1,2,1,0,2232.2,matched,2,channel,-1127.12733703,-1127.12704540,-0.183,0
reaction_qm,RXN_0000124845,17,7,CHOSSi,0,1,1,1,0,2341.6,matched,3,channel,-1172.56403943,-1172.56468325,0.404,0
reaction_qm,RXN_0000125238,17,8,CClHNOP,0,1,2,1,0,2069.3,lower,1,alternate,-1126.27021434,-1126.27346847,2.042,0
reaction_qm,RXN_0000126153,21,10,CHNOSi,0,1,1,1,0,2455.2,no_channel,0,,-981.31315767,,,0
reaction_qm,RXN_0000013487,25,10,CClHNOSi,0,1,2,1,0,2357.2,no_channel,0,,-1385.18481018,,,0
reaction_qm,RXN_0000126657,21,10,CHOPS,0,1,1,1,-1,2700.2,no_channel,0,,-1845.17702248,,,0
reaction_qm,RXN_0000126901,23,10,CHOPS,0,1,2,1,0,2175.3,no_channel,0,,-1089.07553369,,,0
reaction_qm,RXN_0000127826,21,9,CFHNOSi,0,1,2,1,0,2258.2,no_channel,0,,-754.21246326,,,0
reaction_qm,RXN_0000013619,13,8,CClHNOP,0,1,2,1,0,2347.3,higher,1,channel,-1086.76013838,-1086.75502292,-3.21,0
reaction_qm,RXN_0000129579,21,10,CHNPS,0,1,2,1,0,2115.4,lower,1,channel,-1117.46266293,-1117.46644773,2.375,0
reaction_qm,RXN_0000130331,15,7,CHNPS,0,1,1,1,0,2219.0,lower,2,alternate,-951.30036377,-951.32154592,13.292,0
reaction_qm,RXN_0000130705,22,9,CHNOS,0,1,2,1,0,2286.3,matched,1,alternate,-764.46115969,-764.46124415,0.053,0
reaction_qm,RXN_0000130772,16,7,CHNOP,0,1,1,1,0,2243.9,no_channel,0,,-932.28276359,,,0
reaction_qm,RXN_0000131684,22,10,CFHNOS,0,1,1,1,0,2140.0,lower,1,channel,-863.70953510,-863.71487845,3.353,0
reaction_qm,RXN_0000131970,17,8,CHOPS,0,1,3,1,0,2415.0,no_channel,0,,-1122.01200624,,,0
reaction_qm,RXN_0000132416,17,10,CHNO,0,1,1,1,0,2232.4,lower,2,channel,-546.35722925,-546.36362756,4.015,0
reaction_qm,RXN_0000014437,20,7,CHPSSi,0,1,2,1,0,2211.4,no_channel,0,,-1440.49981495,,,0
reaction_qm,RXN_0000014633,12,6,CHNO,0,1,1,1,0,2003.5,matched,1,channel,-302.48089827,-302.48090145,0.002,0
reaction_qm,RXN_0000015390,14,6,CHSSi,0,1,1,1,0,2120.3,matched,3,channel,-1096.16302487,-1096.16304877,0.015,0
reaction_qm,RXN_0000015779,22,10,CHNOPS,0,1,2,1,0,2053.9,no_channel,0,,-1465.30199011,,,0
reaction_qm,RXN_0000010515,14,7,CHNS,0,1,3,2,0,2129.2,matched,2,channel,-1367.65460326,-1367.65358494,-0.639,0
reaction_qm,RXN_0000011976,13,6,CFHNSi,0,1,2,2,0,1124.0,matched,2,channel,-624.19276925,-624.19277084,0.001,0
reaction_qm,RXN_0000012755,15,10,CClFHOS,0,1,2,2,0,2125.8,no_channel,0,,-1400.98826450,,,0
reaction_qm,RXN_0000013227,16,7,CHNP,0,1,1,2,0,1995.6,no_channel,0,,-608.51706606,,,0
reaction_qm,RXN_0000014416,22,10,CHNSi,0,1,2,2,0,2111.6,no_channel,0,,-706.05084155,,,0
reaction_qm,RXN_0000015260,23,10,CHNO,0,1,3,2,0,2123.7,no_channel,0,,-553.80954994,,,0
reaction_qm,RXN_0000016183,24,8,CHOPSi,0,1,2,2,0,2137.0,no_channel,0,,-1209.27787715,,,0
reaction_qm,RXN_0000016919,16,6,CHNPSi,0,1,2,2,0,2197.6,no_channel,0,,-805.72269684,,,0
reaction_qm,RXN_0000017302,20,10,CFHNO,0,1,3,2,0,2046.0,no_channel,0,,-576.55829423,,,0
reaction_qm,RXN_0000018921,11,7,CHNO,0,1,1,2,0,587.4,matched,1,channel,-339.35427521,-339.35427521,-0.0,0
reaction_qm,RXN_0000019872,11,9,CFHNOS,0,1,1,2,0,1928.9,matched,1,channel,-889.93252863,-889.93252863,0.0,0
reaction_qm,RXN_0000100470,23,10,CHNOS,0,1,2,2,0,2210.6,no_channel,0,,-1199.81016261,,,0
reaction_qm,RXN_0000102209,13,8,CFHPS,0,1,2,2,0,1323.8,lower,2,channel,-1335.98013393,-1335.98777684,4.796,0
reaction_qm,RXN_0000103447,16,9,CClHNOP,0,1,2,2,0,2036.7,matched,2,channel,-1163.20631501,-1163.20711341,0.501,0
reaction_qm,RXN_0000104303,15,7,CClHNOSSi,0,1,2,2,0,1522.1,higher,1,channel,-1358.67066454,-1358.66275391,-4.964,0
reaction_qm,RXN_0000104649,24,10,CHNO,0,1,2,2,0,2098.5,lower,1,alternate,-459.66098577,-459.71709648,35.21,0
reaction_qm,RXN_0000105684,14,7,CHNOS,0,1,2,2,0,2087.6,lower,1,alternate,-684.52596232,-684.53640200,6.551,0
reaction_qm,RXN_0000105920,20,9,CHOPS,0,1,2,2,0,2273.2,no_channel,0,,-1693.44839482,,,0
reaction_qm,RXN_0000106768,18,9,CFHNOP,0,1,2,2,0,2127.0,higher,1,alternate,-804.09655699,-804.09420961,-1.473,0
reaction_qm,RXN_0000108646,24,10,CHNOPS,0,1,1,2,0,2405.3,matched,1,channel,-1106.37651744,-1106.37641226,-0.066,0
reaction_qm,RXN_0000109558,22,10,CClHPS,0,1,2,2,0,2149.7,no_channel,0,,-2193.80129760,,,0
reaction_qm,RXN_0000110427,20,10,CHNOS,0,1,2,2,0,2073.1,lower,2,channel,-1251.71587277,-1251.73775930,13.734,0
reaction_qm,RXN_0000113020,17,9,CHS,0,1,1,2,0,2474.2,no_channel,0,,-1787.90040658,,,0
reaction_qm,RXN_0000114179,23,8,CHOPSSi,0,1,3,2,0,1819.3,no_channel,0,,-1302.69154001,,,0
reaction_qm,RXN_0000114466,16,10,CClFHNOSSi,0,1,1,2,0,2067.0,lower,4,channel,-1595.40315507,-1595.40804105,3.066,0
reaction_qm,RXN_0000115010,12,8,CClHO,0,1,2,2,0,2089.8,higher,1,alternate,-2032.59897315,-2032.57995670,-11.933,0
reaction_qm,RXN_0000116477,19,8,CHNPS,0,1,2,2,0,2208.8,no_channel,0,,-1007.93759201,,,0
reaction_qm,RXN_0000117203,17,9,CHNOPS,0,1,2,2,0,2039.4,lower,2,channel,-1784.75554667,-1784.75792751,1.494,0
reaction_qm,RXN_0000118392,13,7,CClHOPS,0,1,1,2,0,1895.7,matched,2,channel,-1392.65690181,-1392.65692094,0.012,0
reaction_qm,RXN_0000120264,20,8,CClHPSSi,0,1,2,2,0,2065.4,no_channel,0,,-1648.65572555,,,0
reaction_qm,RXN_0000121600,11,7,CHNOPS,0,1,1,2,0,1148.5,matched,2,channel,-1023.35033686,-1023.35168823,0.848,0
reaction_qm,RXN_0000123977,25,10,CHNOS,0,1,2,2,0,2092.0,lower,3,alternate,-803.71991679,-803.73543528,9.738,0
reaction_qm,RXN_0000124990,21,9,CClHNOPSi,0,1,2,2,0,2562.6,lower,1,alternate,-1397.21525980,-1397.28053531,40.961,0
reaction_qm,RXN_0000125663,23,10,CClHNO,0,1,2,2,0,2110.1,no_channel,0,,-881.14713097,,,0
reaction_qm,RXN_0000127305,25,10,CHNOP,0,1,2,2,-1,2700.2,no_channel,0,,-763.57087394,,,0
reaction_qm,RXN_0000127970,21,9,CClHOPS,0,1,2,2,0,2023.5,no_channel,0,,-1472.60076585,,,0
reaction_qm,RXN_0000129239,16,7,CHNO,0,1,2,2,0,1972.1,higher,2,alternate,-325.76997464,-325.71154047,-36.668,0
reaction_qm,RXN_0000129991,10,9,CFHNOP,0,1,1,2,0,2020.1,no_channel,0,,-795.35699045,,,0
reaction_qm,RXN_0000130355,20,9,CFHOS,0,1,2,2,0,2138.5,no_channel,0,,-1528.48502209,,,0
reaction_qm,RXN_0000130918,19,9,CHNPS,0,1,2,2,0,2329.1,no_channel,0,,-1028.76476706,,,0
reaction_qm,RXN_0000131599,18,8,CHOP,0,1,2,2,0,2238.2,no_channel,0,,-991.41560299,,,0
reaction_qm,RXN_0000132704,18,8,CHNOSSi,0,1,2,2,0,1964.0,higher,1,channel,-1352.64481649,-1352.62663987,-11.406,0
reaction_qm,RXN_0000134013,15,8,CHOPS,0,1,2,2,0,2120.8,matched,2,channel,-1369.42408287,-1369.42286536,-0.764,0
reaction_qm,RXN_0000134420,12,6,CFHNSSi,0,1,2,2,-1,2700.2,no_channel,0,,-922.00342537,,,0
reaction_qm,RXN_0000135136,14,5,CHNP,0,1,1,2,0,2252.8,higher,1,alternate,-818.83517502,-818.81351798,-13.59,0
reaction_qm,RXN_0000135669,13,8,CClHO,0,1,3,2,0,2017.5,no_channel,0,,-1685.36182322,,,0
reaction_qm,RXN_0000137046,15,9,CHNOP,0,1,2,2,0,2220.2,matched,1,channel,-777.63095201,-777.62972016,-0.773,0
reaction_qm,RXN_0000137764,18,9,CFHNS,0,1,1,2,0,2129.3,lower,4,channel,-848.42903722,-848.46897447,25.061,0
reaction_qm,RXN_0000138007,23,10,CClHNSi,0,1,2,2,-1,2700.1,no_channel,0,,-1095.46640563,,,0
reaction_qm,RXN_0000139129,26,10,CHOSi,0,1,1,2,0,2342.9,no_channel,0,,-679.03946954,,,0
reaction_qm,RXN_0000140668,23,10,CClHOP,0,1,1,2,0,2148.7,no_channel,0,,-1491.55276306,,,0
reaction_qm,RXN_0000141433,20,9,CHNOS,0,1,3,2,0,2128.0,higher,2,alternate,-833.78821660,-833.78248760,-3.595,0
reaction_qm,RXN_0000142462,12,8,CClFHNS,0,1,2,2,0,2044.2,no_channel,0,,-1229.42763801,,,0
reaction_qm,RXN_0000143286,16,7,CHOP,0,1,1,2,0,2399.5,matched,1,channel,-649.48641782,-649.48645128,0.021,0
reaction_qm,RXN_0000144145,18,10,CHOSSi,0,1,2,2,0,2348.1,lower,1,channel,-1220.20715056,-1220.21449706,4.61,0
reaction_qm,RXN_0000145735,11,5,CHPS,0,1,1,2,0,1384.5,matched,1,channel,-1160.60535530,-1160.60533618,-0.012,0
reaction_qm,RXN_0000146659,12,7,CHOP,0,1,2,2,0,2176.8,no_channel,0,,-647.13081040,,,0
reaction_qm,RXN_0000148062,16,9,CFHPS,0,1,2,2,0,2666.9,no_channel,0,,-1133.78139285,,,0
reaction_qm,RXN_0000148769,19,8,CHNOS,0,1,2,2,0,2538.1,no_channel,0,,-725.10331880,,,0
reaction_qm,RXN_0000150665,9,5,CHS,0,1,1,2,0,926.5,matched,2,channel,-912.98991509,-912.98991509,0.0,0
reaction_qm,RXN_0000151161,15,7,CHNO,0,1,1,2,0,2059.3,lower,2,alternate,-378.87515908,-378.95130614,47.783,0
reaction_qm,RXN_0000152586,20,9,CHNO,0,1,2,2,0,2093.1,lower,1,channel,-440.23627961,-440.23791943,1.029,0
reaction_qm,RXN_0000153335,13,7,CHNOPS,0,1,2,2,0,1871.6,matched,2,channel,-1024.29343093,-1024.29345324,0.014,0
reaction_qm,RXN_0000016689,20,9,CHNPS,0,1,1,1,0,1887.4,no_channel,0,,-2299.24953874,,,0
reaction_qm,RXN_0000017558,15,7,CHNOPS,0,1,3,1,0,2112.6,matched,1,channel,-988.49023110,-988.49023428,0.002,0
reaction_qm,RXN_0000018035,24,10,CHNOPS,0,1,2,1,0,1998.3,matched,1,channel,-1143.50339416,-1143.50239019,-0.63,0
reaction_qm,RXN_0000019138,14,8,CClFHNSi,0,1,1,1,0,1538.3,matched,1,channel,-1482.38466636,-1482.38467433,0.005,0
reaction_qm,RXN_0000100103,19,8,CClFHSi,0,1,2,1,0,2038.6,lower,1,channel,-1971.56604851,-1971.56826362,1.39,0
reaction_qm,RXN_0000101124,16,9,CClFHNO,0,1,2,1,0,2043.8,no_channel,0,,-955.01417692,,,0
reaction_qm,RXN_0000101466,18,10,CClHPS,0,1,2,1,0,2447.3,no_channel,0,,-1831.23932246,,,0
reaction_qm,RXN_0000102196,13,7,CHNOP,0,1,1,1,0,2066.7,no_channel,0,,-627.21166610,,,0
reaction_qm,RXN_0000103035,9,6,CHNO,0,1,1,1,0,967.5,matched,1,channel,-317.31596132,-317.31596132,-0.0,0
reaction_qm,RXN_0000011022,13,6,CFHOSi,0,1,2,1,0,1375.2,lower,2,channel,-582.94241316,-582.95213413,6.1,0
reaction_qm,RXN_0000103612,21,10,CHNOS,0,1,3,1,0,2290.2,no_channel,0,,-1918.78643835,,,0
reaction_qm,RXN_0000104040,13,7,CHOS,0,1,2,1,0,1998.0,matched,1,channel,-778.68894635,-778.68916468,0.137,0
reaction_qm,RXN_0000104230,13,7,CHNSSi,0,1,2,1,0,1769.4,no_channel,0,,-914.88119476,,,0
reaction_qm,RXN_0000104633,20,9,CHNPS,0,1,1,1,0,2339.5,no_channel,0,,-1692.76398259,,,0
reaction_qm,RXN_0000105490,28,10,CHNPSi,0,1,2,1,-1,2700.2,no_channel,0,,-962.99028156,,,0
reaction_qm,RXN_0000106506,15,8,CFHNPSi,0,1,1,1,0,90.9,matched,1,channel,-1193.36950747,-1193.36948516,-0.014,0
reaction_qm,RXN_0000106835,19,8,CHOP,0,1,2,1,-1,2700.1,no_channel,0,,-1332.38690617,,,0
reaction_qm,RXN_0000107451,12,10,CClFHNP,0,1,2,1,0,1999.0,no_channel,0,,-2029.86534585,,,0
reaction_qm,RXN_0000107693,12,6,CFHNOS,0,1,2,1,0,1141.2,higher,1,alternate,-707.72073557,-707.69877256,-13.782,0
reaction_qm,RXN_0000108101,18,7,CHNOSi,0,1,2,1,0,2079.5,matched,1,channel,-578.36417489,-578.36403943,-0.085,0
reaction_qm,RXN_0000108675,13,6,CHOPS,0,1,2,1,0,1061.3,lower,4,channel,-933.10857045,-933.11257039,2.51,0
reaction_qm,RXN_0000109683,15,9,CHNS,0,1,2,1,0,2170.8,no_channel,0,,-773.05450062,,,0
reaction_qm,RXN_0000110341,11,6,CHPS,0,1,1,1,0,1977.9,higher,1,channel,-894.80742017,-894.79728965,-6.357,0
reaction_qm,RXN_0000110823,18,10,CHNOPS,0,1,2,1,0,2412.4,matched,1,alternate,-2183.11150308,-2183.11286402,0.854,0
reaction_qm,RXN_0000111463,12,8,CFHNO,0,1,2,1,0,1942.0,matched,2,channel,-459.79632165,-459.79632325,0.001,0
reaction_qm,RXN_0000112510,11,6,CHNOSSi,0,1,2,1,0,783.5,no_channel,0,,-896.58942705,,,0
reaction_qm,RXN_0000012268,18,8,CClHNO,0,1,2,1,0,2210.4,lower,1,channel,-786.58031954,-786.58808994,4.876,0
reaction_qm,RXN_0000114221,17,10,CHNO,0,1,2,1,0,2120.7,no_channel,0,,-512.96568949,,,0
reaction_qm,RXN_0000115049,15,8,CClHPSi,0,1,1,1,0,178.1,matched,1,channel,-1588.93412416,-1588.93382775,-0.186,0
reaction_qm,RXN_0000115786,20,10,CFHNOSi,0,1,2,1,0,2543.2,lower,1,alternate,-869.34501667,-869.35679657,7.392,0
reaction_qm,RXN_0000116258,15,7,CHPS,0,1,2,1,0,303.3,no_channel,0,,-1237.94390620,,,0
reaction_qm,RXN_0000012619,25,10,CHNOSSi,0,1,1,1,0,1974.2,matched,1,alternate,-1343.71124317,-1343.71042406,-0.514,0
reaction_qm,RXN_0000117403,17,8,CHNOS,0,1,1,1,0,2286.4,lower,2,alternate,-723.96187263,-723.97781502,10.004,0
reaction_qm,RXN_0000012761,11,7,CHOPSSi,0,1,1,1,0,2276.3,lower,2,alternate,-1524.12544884,-1524.14911860,14.853,0
reaction_qm,RXN_0000118891,16,6,CHSSi,0,1,2,1,0,2017.3,lower,3,channel,-1097.27496120,-1097.27795080,1.876,0
reaction_qm,RXN_0000012840,17,8,CHOPSSi,0,1,1,1,0,1937.9,matched,2,channel,-1261.95087899,-1261.95150050,0.39,0
reaction_qm,RXN_0000120068,21,8,CHP,0,1,1,1,0,2289.7,higher,1,channel,-615.69176323,-615.67947019,-7.714,0
reaction_qm,RXN_0000121524,14,7,CHNS,0,1,1,1,0,2137.3,matched,1,channel,-647.50796746,-647.50876745,0.502,0
reaction_qm,RXN_0000122734,18,8,CHNO,0,1,3,1,0,2641.5,higher,1,channel,-455.30200211,-455.29413291,-4.938,0
reaction_qm,RXN_0000123059,24,10,CHNOP,0,1,2,1,0,2312.4,no_channel,0,,-746.33052838,,,0
reaction_qm,RXN_0000123473,9,5,CHN,0,1,2,1,0,255.5,matched,1,channel,-259.35664996,-259.35665156,0.001,0
reaction_qm,RXN_0000124190,13,7,CHNOP,0,1,1,1,0,2104.6,no_channel,0,,-701.56580690,,,0
reaction_qm,RXN_0000124756,15,7,CHOPSi,0,1,2,1,0,2060.2,matched,1,channel,-1166.32224397,-1166.32177704,-0.293,0
reaction_qm,RXN_0000124916,19,9,CHNPS,0,1,2,1,0,2019.2,no_channel,0,,-1348.71418877,,,0
reaction_qm,RXN_0000125796,19,9,CHNOS,0,1,2,1,0,2591.2,higher,1,channel,-816.37201734,-816.36978470,-1.401,0
reaction_qm,RXN_0000126160,26,10,CHNPSSi,0,1,1,1,0,1969.3,higher,2,channel,-1355.24523200,-1355.24249101,-1.72,0
reaction_qm,RXN_0000013503,19,8,CClHNP,0,1,2,1,0,2110.8,matched,3,channel,-1053.29222720,-1053.29223676,0.006,0
reaction_qm,RXN_0000126680,12,10,CFHNOS,0,1,1,1,0,2020.2,lower,1,channel,-1329.09388422,-1329.11440822,12.879,0
reaction_qm,RXN_0000127112,18,8,CFHPSi,0,1,2,1,0,2371.7,no_channel,0,,-927.02509996,,,0
reaction_qm,RXN_0000127933,15,9,CHNOS,0,1,2,1,0,2236.6,no_channel,0,,-1211.27276852,,,0
reaction_qm,RXN_0000128761,13,6,CClFHNSi,0,1,2,1,0,2023.0,higher,2,alternate,-984.58944330,-984.58638837,-1.917,0
reaction_qm,RXN_0000129965,25,10,CClHOSSi,0,1,1,1,-1,2700.2,no_channel,0,,-1712.05939315,,,0
reaction_qm,RXN_0000130637,16,10,CHNO,0,1,3,1,0,2153.2,matched,3,channel,-603.52947335,-603.52948929,0.01,0
reaction_qm,RXN_0000130710,15,9,CFHOPS,0,1,3,1,0,2104.3,no_channel,0,,-1220.06435802,,,0
reaction_qm,RXN_0000130986,19,8,CFHPSi,0,1,1,1,0,2078.8,no_channel,0,,-1230.98281940,,,0
reaction_qm,RXN_0000131741,20,10,CClFHNOP,0,1,2,1,0,1971.8,no_channel,0,,-1227.76640387,,,0
reaction_qm,RXN_0000132038,16,10,CClHNOS,0,1,2,1,0,1293.4,lower,3,channel,-1253.77499348,-1253.78854546,8.504,0
reaction_qm,RXN_0000013958,21,9,CHOSSi,0,1,1,1,0,2500.8,lower,1,channel,-1035.75037377,-1035.75378885,2.143,0
reaction_qm,RXN_0000014469,20,9,CHOPSi,0,1,2,1,0,2142.5,lower,1,channel,-1015.59852536,-1015.60219383,2.302,0
reaction_qm,RXN_0000014889,21,8,CHNP,0,1,1,1,0,2111.5,no_channel,0,,-649.06107150,,,0
reaction_qm,RXN_0000015427,21,9,CHNOS,0,1,2,1,0,2175.9,lower,2,alternate,-780.45804498,-780.46003698,1.25,0
reaction_qm,RXN_0000015860,19,10,CHNSSi,0,1,1,1,0,2539.8,matched,1,channel,-1374.60360824,-1374.60362737,0.012,0
reaction_qm,RXN_0000010796,17,8,CHNP,0,1,2,2,0,2022.8,no_channel,0,,-646.59430534,,,0
reaction_qm,RXN_0000012257,12,6,CClHOP,0,1,2,2,0,2339.5,matched,1,channel,-994.50312121,-994.50312281,0.001,0
reaction_qm,RXN_0000012822,17,9,CClHNP,0,1,1,2,0,1321.9,no_channel,0,,-1106.13123954,,,0
reaction_qm,RXN_0000013544,22,9,CHNOS,0,1,2,2,0,1921.5,no_channel,0,,-764.35722156,,,0
reaction_qm,RXN_0000014726,13,6,CHOPS,0,1,2,2,0,2255.2,higher,1,channel,-933.17218150,-933.16747241,-2.955,0
reaction_qm,RXN_0000015276,12,7,CFHO,0,1,1,2,0,868.2,higher,1,alternate,-405.62291493,-405.61801302,-3.076,0
reaction_qm,RXN_0000016210,24,9,CHNSSi,0,1,2,2,0,2165.5,no_channel,0,,-979.80986164,,,0
reaction_qm,RXN_0000017112,23,10,CHNOS,0,1,2,2,0,2341.6,no_channel,0,,-1162.68626432,,,0
reaction_qm,RXN_0000017549,15,8,CHNO,0,1,1,2,0,2180.8,higher,1,alternate,-436.91938350,-436.91121789,-5.124,0
reaction_qm,RXN_0000019233,19,7,CHOPS,0,1,2,2,0,294.1,higher,1,channel,-1277.49280379,-1277.46057161,-20.226,0
reaction_qm,RXN_0000019886,13,7,CHNPS,0,1,1,2,0,2372.2,higher,1,channel,-950.15159637,-950.14034076,-7.063,0
reaction_qm,RXN_0000100600,14,7,CHPSSi,0,1,1,2,0,2469.9,matched,2,channel,-1545.61890241,-1545.61890560,0.002,0
reaction_qm,RXN_0000102277,22,10,CClHO,0,1,1,2,0,2092.6,higher,1,alternate,-1269.44789942,-1269.42313007,-15.543,0
reaction_qm,RXN_0000103900,11,6,CHNPS,0,1,1,2,-1,2700.1,no_channel,0,,-928.10742914,,,0
reaction_qm,RXN_0000104328,13,7,CClHNP,0,1,2,2,0,2300.3,no_channel,0,,-1434.23715696,,,0
reaction_qm,RXN_0000104994,19,10,CHNO,0,1,3,2,0,2307.5,no_channel,0,,-547.69871892,,,0
reaction_qm,RXN_0000105769,10,7,CHNOS,0,1,1,2,0,1093.9,matched,2,channel,-752.59627569,-752.59627569,-0.0,0
reaction_qm,RXN_0000106198,15,9,CFHNOP,0,1,1,2,0,2325.3,lower,2,alternate,-901.23472836,-901.24249558,4.874,0
reaction_qm,RXN_0000106936,14,7,CHOPSSi,0,1,2,2,0,2128.4,matched,1,channel,-1582.77474700,-1582.77583224,0.681,0
reaction_qm,RXN_0000108800,12,7,CClHPSi,0,1,1,2,0,206.4,matched,1,channel,-1800.99927428,-1800.99928544,0.007,0
reaction_qm,RXN_0000109777,13,9,CClFHO,0,1,1,2,0,2375.2,matched,1,channel,-1710.34106285,-1710.34107082,0.005,0
reaction_qm,RXN_0000110455,16,7,CFHN,0,1,1,2,0,2023.5,matched,2,alternate,-367.02345822,-367.02357614,0.074,0
reaction_qm,RXN_0000113139,24,10,CFHOPS,0,1,2,2,0,2218.4,higher,2,channel,-1151.67539130,-1151.67369571,-1.064,0
reaction_qm,RXN_0000114268,18,8,CHNOSSi,0,1,2,2,0,715.5,no_channel,0,,-992.57847409,,,0
reaction_qm,RXN_0000114508,17,10,CClHNO,0,1,1,2,0,2575.3,matched,2,channel,-1316.37522880,-1316.37563039,0.252,0
reaction_qm,RXN_0000115251,12,7,CClHOPS,0,1,3,2,0,2379.9,higher,1,channel,-1814.17325648,-1814.16674661,-4.085,0
reaction_qm,RXN_0000116993,22,10,CHNOPS,0,1,1,2,0,2054.9,no_channel,0,,-1498.65014657,,,0
reaction_qm,RXN_0000117455,19,10,CFHO,0,1,2,2,0,2213.5,lower,3,channel,-559.39972034,-559.40526766,3.481,0
reaction_qm,RXN_0000118804,26,10,CHNO,0,1,2,2,0,2534.8,higher,1,alternate,-460.88285251,-460.86676032,-10.098,0
reaction_qm,RXN_0000120421,15,6,CHNP,0,1,2,2,0,2302.4,no_channel,0,,-856.90899320,,,0
reaction_qm,RXN_0000121788,13,7,CFHOP,0,1,2,2,0,1954.9,no_channel,0,,-672.23483601,,,0
reaction_qm,RXN_0000124321,13,8,CHNP,0,1,2,2,0,2087.7,lower,1,alternate,-1537.31236863,-1537.33106954,11.735,0
reaction_qm,RXN_0000125264,20,10,CHNOPS,0,1,2,2,0,2007.2,lower,2,channel,-1178.34588033,-1178.34753608,1.039,0
reaction_qm,RXN_0000125882,25,10,CHPSSi,0,1,2,2,0,2492.1,no_channel,0,,-2276.13423564,,,0
reaction_qm,RXN_0000127435,11,8,CFHNO,0,1,1,2,0,498.5,lower,1,alternate,-475.71009198,-475.73603262,16.278,0
reaction_qm,RXN_0000128069,17,10,CHNOS,0,1,1,2,0,2265.9,lower,1,alternate,-1630.47659023,-1630.49130076,9.231,0
reaction_qm,RXN_0000129688,15,6,CClHNPSi,0,1,3,2,0,2193.5,no_channel,0,,-1227.20949731,,,0
reaction_qm,RXN_0000130155,14,7,CFHO,0,1,1,2,0,2130.4,matched,1,channel,-406.82190217,-406.82189899,-0.002,0
reaction_qm,RXN_0000130532,13,6,CHOPS,0,1,2,2,0,1966.2,no_channel,0,,-933.10771401,,,0
reaction_qm,RXN_0000131085,13,7,CHNOPS,0,1,1,2,0,2225.4,lower,1,channel,-1061.58910344,-1061.59499817,3.699,0
reaction_qm,RXN_0000131807,14,8,CHNO,0,1,2,2,0,1012.4,higher,2,channel,-415.89572970,-415.89376160,-1.235,0
reaction_qm,RXN_0000133177,15,8,CHNOSSi,0,1,1,2,0,1336.3,matched,2,channel,-1011.32842228,-1011.32959676,0.737,0
reaction_qm,RXN_0000134070,12,8,CHNO,0,1,1,2,0,2212.3,matched,2,channel,-410.77995146,-410.77995465,0.002,0
reaction_qm,RXN_0000134872,13,5,CHNSSi,0,1,1,2,0,2040.8,higher,3,channel,-839.96258152,-839.95481590,-4.873,0
reaction_qm,RXN_0000135435,19,9,CHOSi,0,1,1,2,0,2105.8,lower,1,alternate,-963.00425461,-963.02483597,12.915,0
reaction_qm,RXN_0000135775,20,7,CHNOSSi,0,1,2,2,0,2287.4,no_channel,0,,-939.62592697,,,0
reaction_qm,RXN_0000137326,13,6,CHNOSi,0,1,2,2,0,2046.0,matched,5,channel,-575.00008396,-574.99976843,-0.198,0
reaction_qm,RXN_0000137828,20,7,CHP,0,1,1,2,0,2174.7,no_channel,0,,-1184.07055937,,,0
reaction_qm,RXN_0000138532,25,9,CHNO,0,1,2,2,0,2030.2,no_channel,0,,-422.80331700,,,0
reaction_qm,RXN_0000139178,10,4,CClHNSi,0,1,2,2,0,1685.0,matched,1,channel,-846.01811101,-846.01811261,0.001,0
reaction_qm,RXN_0000140863,15,8,CClHNO,0,1,2,2,0,2030.9,lower,2,alternate,-838.46227227,-838.53061386,42.885,0
reaction_qm,RXN_0000141672,13,7,CFHNP,0,1,1,2,0,1115.9,lower,2,alternate,-713.61401269,-713.61658795,1.616,0
reaction_qm,RXN_0000142636,19,9,CHNOSi,0,1,2,2,0,2209.2,no_channel,0,,-1033.16594573,,,0
reaction_qm,RXN_0000143414,23,8,CHNP,0,1,1,2,0,2016.2,no_channel,0,,-936.77367688,,,0
reaction_qm,RXN_0000144537,21,10,CClHOSSi,0,1,3,2,0,2158.7,no_channel,0,,-1855.48203284,,,0
reaction_qm,RXN_0000145887,17,9,CClHOP,0,1,1,2,0,2214.6,lower,3,channel,-1110.04533428,-1110.05269034,4.616,0
reaction_qm,RXN_0000146719,12,6,CHPS,0,1,2,2,0,2254.0,no_channel,0,,-1558.74392563,,,0
reaction_qm,RXN_0000148161,13,7,CHNOP,0,1,1,2,0,1237.1,higher,3,alternate,-697.69353441,-697.68718869,-3.982,0
reaction_qm,RXN_0000148781,16,7,CHNOSi,0,1,1,2,0,2366.0,higher,1,channel,-577.17377777,-577.15232152,-13.464,0
reaction_qm,RXN_0000150728,21,9,CHOSi,0,1,1,2,0,2621.3,matched,2,alternate,-675.59098376,-675.59135507,0.233,0
reaction_qm,RXN_0000151839,11,6,CHNOS,0,1,1,2,0,2311.0,matched,1,channel,-645.36019724,-645.36019565,-0.001,0
reaction_qm,RXN_0000152943,23,10,CHNOSi,0,1,2,2,0,1949.7,lower,1,alternate,-727.12600157,-727.15326649,17.109,0
reaction_qm,RXN_0000153507,22,10,CClHOPSi,0,1,1,2,0,2107.7,matched,2,channel,-1653.35339129,-1653.35435223,0.603,0
reaction_qm,RXN_0000016985,15,7,CHNS,0,1,2,1,0,1969.5,matched,3,channel,-664.77098130,-664.77187532,0.561,0
reaction_qm,RXN_0000017559,18,8,CHPS,0,1,2,1,0,1982.9,no_channel,0,,-1997.43246439,,,0
reaction_qm,RXN_0000018547,15,6,CHNP,0,1,1,1,0,816.5,matched,1,channel,-570.39304740,-570.39305377,0.004,0
reaction_qm,RXN_0000019445,24,10,CHNOSi,0,1,2,1,0,2031.9,no_channel,0,,-711.06522166,,,0
reaction_qm,RXN_0000100293,18,9,CHNOP,0,1,1,1,0,2272.5,no_channel,0,,-796.09332732,,,0
reaction_qm,RXN_0000101132,17,7,CHOSi,0,1,1,1,0,2634.9,matched,1,channel,-598.22399813,-598.22399813,-0.0,0
reaction_qm,RXN_0000101815,22,10,CHNOS,0,1,1,1,0,2503.4,lower,1,alternate,-818.50825746,-818.52510342,10.571,0
reaction_qm,RXN_0000102276,15,7,CHOP,0,1,2,1,0,2077.2,matched,2,channel,-914.91133381,-914.91121269,-0.076,0
reaction_qm,RXN_0000103063,18,7,CHPSi,0,1,1,1,0,2357.6,no_channel,0,,-1330.54879131,,,0
geodesic,EW_system1,12,4,BHN,0,1,2,,0,316.0,no_channel,0,,-164.03808637,,,2
geodesic,EW_system10,14,4,BHN,0,1,2,,0,548.8,matched,3,channel,-165.14329929,-165.14332479,0.016,0
geodesic,EW_system100,9,5,CHNO,0,1,1,,0,594.1,matched,2,channel,-263.21618147,-263.21618147,0.0,0
geodesic,EW_system102,3,2,CHN,0,1,1,,1,21.9,no_channel,0,,-93.35315703,,,0
geodesic,EW_system105,22,10,CH,0,1,2,,0,66.1,matched,2,channel,-388.13291636,-388.13314425,0.143,0
geodesic,EW_system106,17,7,CH,0,1,2,,0,942.5,matched,4,channel,-272.61709698,-272.61709698,0.0,0
geodesic,EW_system108,15,5,CH,0,1,1,,0,2318.9,matched,3,channel,-196.39437733,-196.39438052,0.002,0
geodesic,EW_system109,37,22,BrCHMgO,0,1,1,,0,2700.2,matched,2,channel,-3582.45334107,-3582.45334266,0.001,0
geodesic,EW_system11,14,4,BHN,0,1,2,,0,480.8,matched,3,channel,-165.15580754,-165.15585056,0.027,0
geodesic,EW_system110,4,2,CHO,0,1,2,,0,188.5,no_channel,0,,-114.36382754,,,0
geodesic,EW_system111,8,3,CFH,0,1,2,,0,357.4,matched,2,channel,-178.95364949,-178.95364949,0.0,0
geodesic,EW_system112,20,8,CHO,0,1,3,,0,2207.7,matched,3,channel,-460.53159170,-460.53177656,0.116,0
geodesic,EW_system114,27,14,CHO,-1,1,2,,0,2468.6,matched,3,channel,-652.69124503,-652.69132152,0.048,0
geodesic,EW_system116,15,6,CClFH,-1,1,2,,0,96.6,matched,2,channel,-717.88178215,-717.88178375,0.001,0
geodesic,EW_system117,13,7,CHOS,0,1,1,,0,854.6,matched,2,channel,-704.60000008,-704.60000167,0.001,0
geodesic,EW_system118,14,6,CHO,0,1,1,,0,1986.3,lower,4,channel,-270.43307402,-270.44079821,4.847,0
geodesic,EW_system15,11,5,CHO,0,1,1,,0,1937.2,matched,4,channel,-268.26353759,-268.26354237,0.003,0
geodesic,EW_system16,11,5,CHO,0,1,2,,0,1965.8,matched,3,channel,-268.31569525,-268.31569684,0.001,0
geodesic,EW_system18,11,5,CHO,0,1,2,,0,1599.1,lower,5,alternate,-268.20920795,-268.26438162,34.622,0
geodesic,EW_system2,12,4,BHN,0,1,2,,0,1914.6,lower,5,alternate,-163.92201869,-163.97324660,32.146,1
geodesic,EW_system20,11,5,CHO,0,1,2,,0,2000.6,lower,10,channel,-268.23336779,-268.27028516,23.166,0
geodesic,EW_system21,11,5,CHO,0,1,2,,0,2016.1,matched,6,channel,-268.27013793,-268.27028295,0.091,0
geodesic,EW_system25,11,5,CHO,0,1,1,,0,2125.4,lower,6,channel,-268.22956970,-268.23228520,1.704,0
geodesic,EW_system26,18,10,CFHNO,0,1,2,,0,1983.1,lower,2,channel,-661.98210980,-662.00910382,16.939,0
geodesic,EW_system29,7,3,CHO,0,1,1,,0,587.1,matched,2,channel,-153.71034197,-153.71034197,0.0,0
geodesic,EW_system3,12,4,BHN,0,1,1,,0,1968.0,matched,2,channel,-164.00230107,-164.00230267,0.001,1
geodesic,EW_system30,8,2,CH,0,1,1,,0,210.2,matched,2,channel,-79.58078726,-79.58078726,0.0,0
geodesic,EW_system32,10,10,CFO,0,1,1,,0,416.6,lower,3,alternate,-788.65032561,-788.65688009,4.113,0
geodesic,EW_system36,8,3,CHNO,0,1,1,,0,1739.6,matched,3,channel,-171.01481611,-171.01481611,0.0,0
geodesic,EW_system37,13,5,CHO,0,1,1,,0,2037.0,matched,4,channel,-232.33489311,-232.33485965,-0.021,0
geodesic,EW_system38,13,5,CHO,0,1,1,,0,2185.8,lower,4,channel,-232.29011709,-232.29780143,4.822,0
geodesic,EW_system41,13,5,CHO,0,1,2,,0,901.7,matched,2,channel,-232.29258880,-232.29259996,0.007,0
geodesic,EW_system42,16,6,CHO,0,1,1,,0,2281.1,matched,4,channel,-308.79111552,-308.79111233,-0.002,0
geodesic,EW_system43,16,6,CHO,0,1,2,,0,2061.1,matched,3,channel,-308.78347555,-308.78348511,0.006,0
geodesic,EW_system44,16,6,CHO,0,1,2,,0,2287.9,lower,4,channel,-308.75987361,-308.76257636,1.696,0
geodesic,EW_system47,16,6,CHO,0,1,2,,0,2321.0,matched,7,channel,-308.79319183,-308.79228348,-0.57,0
geodesic,EW_system48,16,6,CHO,0,1,2,,0,2261.6,matched,2,channel,-308.74065442,-308.74168229,0.645,0
geodesic,EW_system51,10,4,CHO,0,1,2,,0,1999.3,lower,3,channel,-230.13660323,-230.18181848,28.373,0
geodesic,EW_system52,10,4,CHO,0,1,1,,0,1870.4,matched,3,channel,-230.18181622,-230.18181781,0.001,0
geodesic,EW_system55,10,4,CHO,0,1,2,,0,535.3,higher,1,channel,-230.11232887,-230.09789243,-9.059,0
geodesic,EW_system56,10,4,CHO,0,1,1,,0,2005.1,matched,2,channel,-230.10886780,-230.10886939,0.001,0
geodesic,EW_system57,11,4,CHN,0,1,1,,0,2067.9,matched,2,channel,-173.12462346,-173.12462983,0.004,0
geodesic,EW_system58,11,4,CHN,0,1,1,,0,2006.6,matched,2,channel,-173.11097587,-173.11097427,-0.001,0
geodesic,EW_system59,11,4,CHN,0,1,1,,0,2159.2,matched,2,channel,-173.10227693,-173.10228808,0.007,0
geodesic,EW_system60,11,4,CHN,0,1,1,,0,737.0,matched,2,channel,-173.11097581,-173.11097422,-0.001,0
geodesic,EW_system61,16,5,CHP,0,1,1,,0,2432.0,matched,2,channel,-500.22187229,-500.22187389,0.001,0
geodesic,EW_system66,11,4,CHN,0,1,1,,0,1346.9,lower,2,channel,-173.04101642,-173.08737269,29.089,0
geodesic,EW_system67,15,5,CHO,0,1,2,,0,304.2,matched,2,channel,-233.53462081,-233.53462081,0.0,0
geodesic,EW_system68,16,6,CH,0,1,1,,0,255.2,matched,2,channel,-234.50921407,-234.50931765,0.065,0
geodesic,EW_system69,16,6,CH,0,1,2,,0,2256.1,matched,2,channel,-234.49922081,-234.49922081,0.0,0
geodesic,EW_system7,12,4,BHN,0,1,1,,0,1450.2,matched,2,channel,-163.96326212,-163.96327327,0.007,0
geodesic,EW_system70,16,6,CH,0,1,1,,0,2204.0,matched,1,channel,-234.43411267,-234.43411746,0.003,0
geodesic,EW_system71,16,6,CH,0,1,2,,0,2567.5,no_channel,0,,-234.36687609,,,0
geodesic,EW_system77,16,6,CH,0,1,1,,0,2274.1,matched,1,channel,-234.47091868,-234.47092187,0.002,0
geodesic,EW_system79,16,6,CH,0,1,2,,0,2187.8,matched,3,channel,-234.42207158,-234.42190903,-0.102,0
geodesic,EW_system80,16,6,CH,0,1,2,,0,1629.1,matched,3,channel,-234.46361676,-234.46367572,0.037,0
geodesic,EW_system82,20,7,CHOP,0,1,2,,0,2032.4,matched,3,channel,-614.77073239,-614.77069096,-0.026,0
geodesic,EW_system85,17,9,CClHOS,0,1,2,,0,2165.9,lower,6,channel,-1626.16002163,-1626.18313204,14.502,0
geodesic,EW_system95,21,9,CHO,0,1,2,,0,2137.4,matched,2,channel,-461.28876698,-461.28876061,-0.004,0
geodesic,EW_system96,21,9,CHO,0,1,2,,0,2080.0,matched,2,channel,-461.40673280,-461.40673280,0.0,0
geodesic,FSM_01_formaldehyde,4,2,CHO,0,1,2,,0,238.3,no_channel,0,,-114.36382820,,,0
geodesic,FSM_03_ethanal,7,3,CHO,0,1,1,,0,639.4,matched,2,channel,-153.71034148,-153.71034148,0.0,0
geodesic,FSM_04_ethane,8,2,CH,0,1,1,,0,246.2,matched,2,channel,-79.58078726,-79.58078726,0.0,0
geodesic,FSM_06_diels_alder,16,6,CH,0,1,1,,0,2164.8,matched,2,channel,-234.49922104,-234.49921945,-0.001,0
geodesic,FSM_07_hexadiene,16,6,CH,0,1,1,,0,397.6,matched,2,channel,-234.49171099,-234.49170939,-0.001,0
geodesic,FSM_09_ireland_claisen,56,24,CHOSi,0,1,1,,-1,2700.2,no_channel,0,,-1370.78737739,,,0