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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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50516 12013060 1 BrNCl2O2S2H4C10 ABC2D2E2F4G10 46.92 5.72 -9.13 -1.79 0
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50517 12013061 1 NSO2Cl4C12H17 ABC2D4E12F17 -29.72 3.26 -9.57 -1.67 0
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50518 12013062 1 NSO2Cl4C14H21 ABC2D4E14F21 -46.86 4.89 -9.48 -1.72 0
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50519 12013063 1 NCl2O3S3C16H25 AB2C3D3E16F25 -53.37 5.96 -9.04 -1.3 0
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50520 12013064 1 NCl2O3S3C18H29 AB2C3D3E18F29 -63.12 5.62 -9.01 -1.28 0
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50521 12013065 1 NCl2O4S5C20H33 AB2C4D5E20F33 -101.36 4.86 -8.88 -1.37 0
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50522 12013066 1 NCl2O4S5C22H37 AB2C4D5E22F37 -115.84 5.35 -9.2 -1.74 0
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50523 12013067 2 SN2O2Cl3C16H25 AB2C2D3E16F25 -77.55 9.15 -9.42 -1.51 0
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50524 12013068 2 C7H10 A7B10 0.25 1.21 -9.09 0.51 0
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50525 12013069 2 C7H10 A7B10 0.37 1.05 -9.08 0.51 0
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50526 12013071 1 C17H30 A17B30 -37.58 0.36 -8.83 1.04 0
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50527 12013072 1 OSN2C11H14 ABC2D11E14 -11.74 1.84 -8.37 -0.22 0
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50528 12013073 1 OSN2C12H16 ABC2D12E16 -16.82 4.04 -8.29 -0.16 0
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50529 12013074 1 SN2O2C12H14 AB2C2D12E14 -63.99 1.57 -8.78 -0.7 0
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50530 12013075 1 OSN2C16H16 ABC2D16E16 15.62 1.25 -8.41 -0.51 0
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50531 12013076 1 BrN3C8H14 AB3C8D14 99.05 10.21 -8.21 -1.05 1
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50532 12013077 1 N3C8H14 A3B8C14 117.4 5.13 0.0 0.0 0
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50533 12013078 1 Br2N3C8H13 A2B3C8D13 92.36 11.25 -8.58 -1.09 1
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50534 12013079 1 BrN3C8H13 AB3C8D13 124.12 4.09 0.0 0.0 1
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50535 12013081 1 N3C8H16 A3B8C16 77.05 4.92 0.0 0.0 0
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50536 12013082 1 LiO2C9H11 AB2C9D11 -20.86 5.4 -8.1 -0.07 0
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50537 12013083 1 LiNO4C32H36 ABC4D32E36 -26.97 5.43 -7.72 -0.22 0
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50538 12013084 3 BNC2H5 ABC2D5 -36.51 0.41 0.0 0.0 0
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50539 12013085 3 BNC3H7 ABC3D7 -58.71 0.23 0.0 0.0 0
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50540 12013086 1 PSO3C12H19 ABC3D12E19 -202.4 3.13 -9.08 -0.34 0
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50541 12013087 1 PSO3C12H19 ABC3D12E19 -202.55 1.32 -9.14 -0.31 0
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50542 12013088 1 PSO3C12H19 ABC3D12E19 -203.96 0.93 -9.19 -0.36 0
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50543 12013090 1 PSO3C13H21 ABC3D13E21 -204.66 4.03 -9.33 -0.01 0
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50544 12013091 1 FPO4C11H16 ABC4D11E16 -236.37 3.54 -10.36 0.04 0
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50545 12013092 1 FPO3C12H18 ABC3D12E18 -206.68 1.71 -10.02 0.34 0
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50546 12013093 1 FPO3C20H22 ABC3D20E22 -205.96 2.36 -9.25 0.1 0
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50547 12013094 1 SN3C20H29 AB3C20D29 42.04 4.09 -9.35 -0.83 0
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50548 12013095 1 SN3C19H27 AB3C19D27 45.65 4.21 -9.17 -1.03 0
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50549 12013096 1 ClSN3C19H26 ABC3D19E26 41.72 4.39 -9.2 -1.04 0
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50550 12013097 1 SN3C20H29 AB3C20D29 34.82 1.23 -8.74 -1.11 0
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50551 12013098 1 SN3C23H29 AB3C23D29 65.17 4.31 -8.84 -1.01 0
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50552 12013099 1 SN3C20H29 AB3C20D29 37.15 2.57 -8.91 -0.94 0
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50553 12013100 1 SCl2N3C19H25 AB2C3D19E25 32.38 4.51 -9.32 -1.19 0
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50554 12013101 1 SN3C23H29 AB3C23D29 66.49 4.34 -8.74 -1.02 0
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50555 12013102 1 O2N3H19C26 A2B3C19D26 32.12 7.27 -8.6 -1.46 0
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50556 12013103 1 O2N3H17C21 A2B3C17D21 -1.56 6.65 -8.61 -1.46 0
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50557 12013104 1 N3O4H31C40 A3B4C31D40 -17.29 8.47 -8.55 -1.41 0
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50558 12013105 1 N3O4H31C40 A3B4C31D40 -14.0 10.15 -8.61 -1.46 0
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50559 12013106 1 OC16H16 AB16C16 -2.38 1.96 -8.86 -0.48 0
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50560 12013108 1 OC19H22 AB19C22 -16.27 1.97 -8.85 -0.47 0
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50561 12013109 1 OH20C21 AB20C21 9.02 1.46 -8.56 -0.68 0
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50562 12013110 1 OC23H24 AB23C24 0.32 1.49 -8.55 -0.68 0
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50563 12013111 3 OC8H8 AB8C8 -73.09 3.72 -8.44 -0.55 0
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50564 12013112 1 OSiC22H30 ABC22D30 5.33 0.78 -8.57 -0.47 0
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50565 12013113 1 ON2C14H20 AB2C14D20 -31.72 4.37 -9.19 -0.18 0
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50566 12013114 1 ON2H22C23 AB2C22D23 38.4 4.05 -9.23 -0.29 0
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50567 12013115 1 ON2C20H24 AB2C20D24 -5.25 3.4 -9.35 0.14 0
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50568 12013116 1 N2O2H20C21 A2B2C20D21 4.13 4.28 -9.14 -0.16 0
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50569 12013118 1 ON2C12H14 AB2C12D14 -15.16 3.73 -9.5 0.03 0
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50570 12013119 1 N2O4C11H12 A2B4C11D12 -138.58 0.48 -9.64 -0.62 0
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50571 12013120 1 NOSC14H21 ABCD14E21 -31.82 1.09 -8.7 0.07 0
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50572 12013121 1 NOSeC17H19 ABCD17E19 16.3 2.71 -8.31 -0.04 0
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50573 12013122 1 NOSeC14H21 ABCD14E21 -23.2 2.2 -8.32 -0.24 0
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50574 12013124 1 BrNOH14C16 ABCD14E16 26.28 1.07 -9.48 -0.63 0
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50575 12013125 1 NO3C14H17 AB3C14D17 -59.31 2.92 -10.01 -0.91 0
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50576 12013126 1 FNO3C14H16 ABC3D14E16 -107.69 3.24 -10.21 -1.08 0
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50577 12013127 1 ClNO3C14H16 ABC3D14E16 -67.67 1.93 -9.82 -0.88 0
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50578 12013128 1 ClNO3C14H16 ABC3D14E16 -69.53 3.41 -9.96 -1.17 0
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50579 12013129 1 NCl2O3C13H13 AB2C3D13E13 -69.35 4.81 -9.78 -1.3 0
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50580 12013130 1 ClNO2H6C10 ABC2D6E10 12.92 2.57 -9.77 -1.08 0
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50581 12013131 1 NCl2O2H7C11 AB2C2D7E11 -3.49 3.41 -9.77 -1.34 0
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50582 12013132 1 O2C17H18 A2B17C18 -49.01 2.44 -8.48 -0.48 0
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50583 12013133 1 NO2F3H8C12 AB2C3D8E12 -144.07 2.89 -9.83 -1.31 0
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50584 12013134 1 ClNO3C13H14 ABC3D13E14 -64.25 3.8 -9.94 -1.09 0
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50585 12013135 1 ClNO2H8C11 ABC2D8E11 1.64 2.32 -9.88 -1.17 0
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50586 12013136 1 ClNO2F3H5C11 ABC2D3E5F11 -143.52 1.1 -10.12 -1.62 0
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50587 12013137 1 ON3C15H15 AB3C15D15 42.34 1.85 -8.52 -0.67 0
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50588 12013138 1 ON3H13C14 AB3C13D14 49.3 2.31 -8.58 -0.69 0
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50589 12013139 1 ClN3H10C13 AB3C10D13 80.71 4.61 -9.11 -0.97 0
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50590 12013140 1 ON3H17C20 AB3C17D20 77.0 1.85 -8.55 -0.68 0