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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11088 110863 1 N4O5H16C17 A4B5C16D17 -28.17 8.41 -8.86 -1.82 0
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11089 110869 2 N3O3H16C17 A3B3C16D17 -49.06 5.08 -9.03 -1.29 0
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11090 110887 1 ON2C16H24 AB2C16D24 -45.51 3.09 -8.84 0.19 0
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11091 110889 1 N3O3C16H21 A3B3C16D21 -120.35 5.47 -9.01 -0.16 0
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11092 110891 1 O2N3C16H23 A2B3C16D23 -84.04 1.83 -9.05 0.1 0
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11093 110893 2 ClN3O3C19H19 AB3C3D19E19 -103.41 3.91 -8.49 -1.53 0
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11094 110895 1 NC5H5O5 AB5C5D5 -200.88 4.84 -11.25 -0.75 0
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11095 110897 4 OC2H3 AB2C3 -186.7 4.25 -10.98 0.16 0
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11096 110899 1 ClN2O2C17H25 AB2C2D17E25 -102.84 1.94 -8.93 0.01 0
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11097 110902 1 O2C11H20 A2B11C20 -133.53 1.75 -10.36 1.01 0
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11098 110904 1 N2O2C11H14 A2B2C11D14 -40.53 2.71 -8.61 0.03 0
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11099 110905 1 C19H40 A19B40 -96.06 0.09 -10.47 4.03 0
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11100 110907 1 O3C7H14 A3B7C14 -147.02 1.16 -10.04 1.87 0
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11101 110908 2 NO2C10H10 AB2C10D10 -33.95 6.5 -8.68 -0.91 0
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11102 110915 1 NSC12H19 ABC12D19 -25.78 1.73 -8.7 0.48 0
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11103 110931 1 NC7H15 AB7C15 -30.02 1.9 -9.26 3.43 0
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11104 110932 1 NC8H17 AB8C17 -33.94 1.89 -9.12 3.6 0
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11105 110944 2 ClC2H3 AB2C3 -19.7 1.41 -10.28 -0.01 0
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11106 110950 2 O2C5H8 A2B5C8 -180.99 2.28 -9.99 -0.39 0
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11107 110951 1 Cl2F2C3H4 A2B2C3D4 -138.52 2.57 -11.22 -0.43 0
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11108 110962 1 SO7C8H14 AB7C8D14 -315.05 7.11 -11.22 -0.44 0
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11109 110972 2 O2C11H15 A2B11C15 -145.06 2.3 -9.73 0.73 0
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11110 110989 2 C5H7 A5B7 9.96 0.21 -9.43 1.33 0
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11111 110990 2 Br2O2C7H7 A2B2C7D7 -147.74 5.2 -10.57 -1.3 0
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11112 111024 1 FNO3C5H10 ABC3D5E10 -193.3 3.78 -10.03 0.4 0
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11113 111069 1 OC14H22 AB14C22 -47.37 2.58 -8.73 0.36 0
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11114 111085 1 ClON2C13H19 ABC2D13E19 -55.62 4.87 -8.57 0.26 0
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11115 111087 1 NO6C14H19 AB6C14D19 -244.96 6.26 -9.21 0.1 0
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11116 111123 6 COH2 ABC2 -260.69 2.69 -10.2 -0.26 0
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11117 111149 1 O2N3C16H24 A2B3C16D24 -45.82 1.67 0.0 0.0 1
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11118 111160 1 N2Na2O11C22H26 A2B2C11D22E26 -598.55 4.43 -7.9 -0.48 0
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11119 111167 1 ON2H14C18 AB2C14D18 72.18 5.15 -8.29 -1.66 0
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11120 111259 1 N2O2C18H31 A2B2C18D31 -68.57 2.07 0.0 0.0 1
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11121 111263 3 C5H6 A5B6 83.89 0.23 -9.38 1.24 0
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11122 111264 3 NC8H17 AB8C17 -71.47 2.04 -8.73 1.46 0
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11123 111284 1 N2O17C28H40 A2B17C28D40 -793.46 7.96 -10.0 0.07 0
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11124 111309 1 O2N3C8H13 A2B3C8D13 -69.62 4.69 -9.35 0.23 0
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11125 111311 1 NOC11H21 ABC11D21 -75.55 1.45 -8.34 2.7 0
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11126 111312 1 O2C9H16 A2B9C16 -120.08 1.91 -10.61 0.88 0
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11127 111313 1 O2C9H16 A2B9C16 -118.1 2.01 -10.61 0.9 0
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11128 111319 1 SO8C31H42 AB8C31D42 -372.54 4.69 -9.83 -0.77 0
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11129 111333 1 N3O7C19H19 A3B7C19D19 -175.82 9.16 -9.72 -1.34 0
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11130 111368 1 OBr2C3H4 AB2C3D4 -21.8 2.12 -10.61 -1.17 0
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11131 111382 1 NC24H29 AB24C29 29.56 1.59 -8.0 -0.3 0
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11132 111405 2 OC5H9 AB5C9 -112.24 2.01 -10.13 0.99 0
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11133 111416 1 OC17H28 AB17C28 -84.49 3.78 -9.71 0.79 0
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11134 111431 1 PBr2Cl3O4C11H20 AB2C3D4E11F20 -306.68 1.77 -10.75 -0.65 0
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11135 111432 1 CaNSO6C8H15 ABCD6E8F15 -322.04 1.65 -9.23 -0.11 0
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11136 111433 1 Cl2O3H8C9 A2B3C8D9 -132.88 3.13 -9.96 -0.89 0
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11137 111448 1 SO8C12H22 AB8C12D22 -376.08 4.53 -9.1 0.1 0
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11138 111453 1 NSNa2O7C22H41 ABC2D7E22F41 -401.84 29.19 -8.47 -2.25 0
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11139 111455 1 NOC17H23 ABC17D23 -36.64 2.14 -8.62 -0.71 0
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11140 111457 1 O11C12H18 A11B12C18 -500.16 4.52 -10.46 -0.22 0
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11141 111461 1 Cl2N2O3C19H44 A2B2C3D19E44 -172.08 37.28 -5.97 -1.39 0
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11142 111463 1 Cl2N2O3C21H48 A2B2C3D21E48 -255.42 3.06 -8.57 1.62 0
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11143 111464 1 N2O3C21H46 A2B3C21D46 -193.67 2.48 -8.46 1.75 0
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11144 111465 1 Cl2O3C13H26 A2B3C13D26 -193.45 3.05 -9.84 0.53 0
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11145 111466 1 Cl3F6O11C28H33 A3B6C11D28E33 -812.92 3.31 -10.67 -1.9 0
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11146 111467 2 O3C18H38 A3B18C38 -453.48 6.89 -10.6 0.86 0
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11147 111468 2 O8C15H30 A8B15C30 -830.95 1.17 -10.19 -0.35 0
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11148 111469 2 O8C17H33 A8B17C33 -884.34 9.78 -9.74 0.0 0
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11149 111471 1 ClON2C13H19 ABC2D13E19 -53.47 5.15 -8.05 -0.09 0
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11150 111495 1 S2N4O8C57H94 A2B4C8D57E94 -415.78 12.95 -8.67 -2.26 0
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11151 111497 1 ClS2N3O7H14C17 AB2C3D7E14F17 -202.88 9.07 -8.82 -1.65 0
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11152 111505 1 N2O3C20H39 A2B3C20D39 -179.65 4.19 0.0 0.0 1
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11153 111507 1 N2O3C15H29 A2B3C15D29 -152.01 3.67 0.0 0.0 1
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11154 111508 1 NOC18H39 ABC18D39 -124.22 2.9 -9.42 2.41 0
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11156 111520 1 NS2O7H21C23 AB2C7D21E23 -217.12 11.08 -9.11 -1.18 0
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11157 111521 1 NaO3C6H13 AB3C6D13 -165.83 8.51 -7.98 0.37 0
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11158 111522 1 ClNNaSH3O4C6 ABCDE3F4G6 -98.34 6.91 -8.26 -1.37 0
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11159 111523 1 ClNSH4O4C6 ABCD4E4F6 -55.16 5.09 -9.7 -1.84 0
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11160 111533 1 PN2O5C22H45 AB2C5D22E45 -333.69 5.38 -9.04 0.81 0
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11161 111539 1 N3O4C9H13 A3B4C9D13 -55.34 2.68 -9.79 -1.49 0
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11162 111541 1 N3O6C33H49 A3B6C33D49 -178.51 4.06 -9.17 -1.75 0
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11163 111542 1 O6H24C29 A6B24C29 -148.85 8.45 -8.88 -0.52 0