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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403061 135058566 1 SO3C19H20 AB3C19D20 -74.94 0.38 -8.48 -0.64 0
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403062 135058567 1 NSO2C22H23 ABC2D22E23 -20.08 4.54 -8.56 -1.13 0
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403063 135058568 1 NOC25H25 ABC25D25 16.83 4.16 -8.8 -0.22 0
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403064 135058570 1 NOC18H19 ABC18D19 -12.93 3.19 -8.95 -0.29 0
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403065 135058578 1 O3H18C22 A3B18C22 -53.31 3.33 -9.98 -0.97 0
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403066 135058589 1 NaO2H21C24 AB2C21D24 -73.3 7.84 -8.8 -0.11 0
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403067 135058593 1 N2C25H34 A2B25C34 7.33 1.87 -8.72 0.23 0
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403068 135058598 1 O2C17H18 A2B17C18 -45.83 4.21 -8.62 -0.24 0
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403069 135058599 1 NOC22H29 ABC22D29 -39.23 3.49 -9.17 -0.2 0
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403070 135058608 1 PN2O3C28H33 AB2C3D28E33 -119.75 5.78 -8.16 -0.05 0
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403071 135058609 1 NOSSiC22H27 ABCDE22F27 -22.88 1.84 -9.14 -0.51 0
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403072 135058610 1 NH21C32 AB21C32 144.71 2.23 -7.9 -0.81 0
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403073 135058611 1 N3O3H19C20 A3B3C19D20 24.82 8.21 -9.37 -1.19 0
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403074 135058612 1 SiO2C20H26 AB2C20D26 -78.9 1.24 -8.47 -0.25 0
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403075 135058613 1 NO2H15C17 AB2C15D17 -34.6 3.14 -8.45 -0.61 0
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403076 135058617 1 NC19H21 AB19C21 33.54 0.6 -8.27 -0.18 0
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403077 135058618 1 O3H18C23 A3B18C23 -37.51 6.89 -9.76 -0.92 0
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403078 135058621 1 ClO2H15C16 AB2C15D16 -60.22 3.23 -9.68 -0.61 0
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403079 135058637 1 BrSN2O5H19C22 ABC2D5E19F22 -51.25 8.74 -9.81 -1.34 0
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403080 135058646 1 NSO3H17C21 ABC3D17E21 -60.92 5.78 -8.66 -0.8 0
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403081 135058653 1 BSO5C13H19 ABC5D13E19 -276.16 1.6 -9.1 -0.09 0
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403082 135058659 1 N2O3C11H14 A2B3C11D14 -70.51 2.26 -8.96 -0.18 0
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403083 135058662 1 BNSO6C21H26 ABCD6E21F26 -309.22 5.98 -8.47 -0.64 -1
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403084 135058663 1 BNSO6C21H25 ABCD6E21F25 -276.02 7.42 0.0 0.0 0
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403085 135058669 2 NC8H8 AB8C8 48.13 4.58 -8.73 -0.35 0
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403086 135058673 1 NSF3O3C18H18 ABC3D3E18F18 -239.0 6.93 -8.94 -1.26 0
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403087 135058680 1 O2N3H11C17 A2B3C11D17 65.61 3.93 -8.93 -1.2 0
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403088 135058682 1 ON3H13C20 AB3C13D20 106.99 2.48 -8.76 -1.02 0
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403089 135058683 1 N2O3C17H18 A2B3C17D18 -40.16 3.24 -9.31 -0.59 0
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403090 135058684 1 NO3H15C17 AB3C15D17 -79.59 1.13 -9.37 -1.02 0
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403091 135058704 1 NO3C14H15 AB3C14D15 -89.83 2.03 -9.68 -0.08 0
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403092 135058712 1 FSCl2O2N3H14C20 ABC2D2E3F14G20 -22.74 6.12 -9.1 -1.07 0
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403093 135058713 1 ClS2N3O3H18C23 AB2C3D3E18F23 3.64 3.93 -9.19 -1.25 0
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403094 135058716 1 O4H16C17 A4B16C17 -87.52 3.55 -8.66 -0.27 0
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403095 135058720 1 ClFOH10C14 ABCD10E14 -24.3 0.74 -9.11 -0.48 0
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403096 135058721 1 BrClOH6C8 ABCD6E8 -11.0 1.08 -9.41 -0.76 0
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403097 135058724 1 O4H16C19 A4B16C19 -97.56 3.02 -9.18 -1.08 0
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403098 135058729 1 SiN2C18H18 AB2C18D18 34.98 1.52 -8.35 -0.17 0
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403101 135058762 1 N2H22C27 A2B22C27 133.88 1.83 -8.61 -0.52 0
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403102 135058766 1 NOC16H17 ABC16D17 33.28 0.89 -8.97 -0.01 0
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403103 135058770 1 N2F3O3H17C21 A2B3C3D17E21 -225.69 2.26 -8.91 -0.98 0
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403104 135058771 1 O2N3C22H23 A2B3C22D23 -22.4 6.39 -8.43 -0.88 0
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403105 135058772 2 NOC11H11 ABC11D11 -37.33 5.52 -8.85 -0.96 0
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403106 135058773 2 NOH11C13 ABC11D13 3.06 3.67 -8.73 -0.83 0
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403107 135058775 1 NSiC19H23 ABC19D23 22.05 3.43 -8.09 0.18 0
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403108 135058776 1 F5H15C17 A5B15C17 -213.02 3.32 -8.89 -0.95 0
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403109 135058777 1 BrNSO3H18C21 ABCD3E18F21 -65.27 7.4 -9.38 -0.66 0
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403110 135058799 1 NO3F6H11C17 AB3C6D11E17 -393.12 8.66 -9.61 -1.65 1
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403111 135058800 1 IN4C8H8 AB4C8D8 133.56 4.55 0.0 0.0 0
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403112 135058801 1 NO2Cl3H16C17 AB2C3D16E17 -70.18 3.13 -9.76 -0.5 0
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403113 135058802 1 ClNSO3H14C20 ABCD3E14F20 -62.92 6.41 -8.97 -1.05 0
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403114 135058803 1 ClNSO4H16C21 ABCD4E16F21 -106.11 7.87 -8.94 -0.95 0
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403115 135058804 1 SN2O2C13H18 AB2C2D13E18 -47.28 5.86 -9.52 -0.05 0
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403116 135058811 1 N3O3C17H19 A3B3C17D19 -25.58 5.65 -9.19 -1.23 0
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403117 135058812 3 NC5H5 AB5C5 79.14 5.19 -8.92 -0.57 0
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403118 135058814 1 N3C16H17 A3B16C17 69.11 5.45 -8.81 -0.62 0
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403119 135058815 1 SN2O3C10H14 AB2C3D10E14 -66.24 5.21 -8.83 -0.12 0
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403120 135058817 1 BNO2C22H24 ABC2D22E24 -111.01 4.99 -8.59 -0.34 0
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403121 135058820 1 BNO5C19H28 ABC5D19E28 -310.58 3.12 -8.65 -0.27 0
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403122 135058823 1 NO4H15C18 AB4C15D18 -71.03 4.17 -9.03 -1.06 0
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403123 135058826 1 N2O2F7H21C22 A2B2C7D21E22 -386.81 9.34 -9.06 -1.46 0
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403124 135058827 2 O2C7H10 A2B7C10 -160.01 1.46 -9.34 0.14 0
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403125 135058828 1 O4C15H20 A4B15C20 -140.47 1.54 -9.21 -0.09 0
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403126 135058829 1 BrClNO2H17C18 ABCD2E17F18 -53.37 4.16 -9.57 -0.85 0
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403127 135058833 1 NOH17C23 ABC17D23 73.4 3.81 -8.12 -0.48 0
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403128 135058846 1 NO2H19C20 AB2C19D20 -7.53 0.39 -8.62 -0.57 0
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403129 135058853 1 O5H26C30 A5B26C30 -87.53 1.64 -8.31 -0.25 0
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403130 135058876 1 O4H16C17 A4B16C17 -72.48 3.04 -9.2 -0.07 0
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403131 135058879 1 OSN5H19C21 ABC5D19E21 105.94 8.27 -8.93 -1.26 0
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403132 135058881 1 SiO2C18H20 AB2C18D20 -60.1 2.35 -9.3 -0.23 0
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403133 135058903 1 N3S4O10C21H25 A3B4C10D21E25 -360.59 6.95 -9.23 -1.0 0
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403134 135058906 1 PO4H29C35 AB4C29D35 -46.93 4.92 -8.23 -0.6 0
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403135 135058907 1 PO6C33H43 AB6C33D43 -234.14 6.98 -8.26 -0.36 0
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403136 135058908 1 PSH25C34 ABC25D34 146.84 5.7 -8.53 -0.77 0
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403137 135058909 1 ClO3C15H17 AB3C15D17 -128.33 4.76 -9.44 -1.02 0
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403138 135058919 1 ClSN2O4C19H21 ABC2D4E19F21 -111.95 5.11 -9.0 -1.1 0
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403139 135058922 1 OC14H16 AB14C16 -25.06 4.38 -8.99 -0.46 0
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403140 135058923 1 NH19C20 AB19C20 62.84 2.56 -9.01 -0.18 0
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403141 135058931 1 O2C17H18 A2B17C18 -43.66 4.49 -8.94 0.08 0
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403142 135058932 1 O2C17H18 A2B17C18 -44.54 1.98 -9.18 -0.06 0
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403143 135058954 1 N2F3H11C12 A2B3C11D12 -95.73 5.08 -9.39 -0.81 0
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403144 135058955 1 NO2C13H17 AB2C13D17 -66.08 2.85 -9.86 -0.93 0
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403145 135058960 1 NOI2H6F7C15 ABC2D6E7F15 -298.02 7.61 -9.96 -1.8 0
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403146 135058961 1 NOI2F7H8C16 ABC2D7E8F16 -307.84 8.6 -9.87 -1.77 0
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403147 135058970 1 N2O2C13H16 A2B2C13D16 -54.32 3.23 -9.16 -0.6 0
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403148 135058971 1 ClB2N2O4C21H33 AB2C2D4E21F33 -308.7 6.7 -8.46 0.07 0
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403149 135058981 2 O2C7H9 A2B7C9 -157.69 1.1 -8.84 0.14 0
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403150 135058982 1 NO3C15H19 AB3C15D19 -93.99 2.01 -9.57 -1.09 0
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403151 135058989 2 NO2C8H9 AB2C8D9 -67.14 8.59 -9.01 -1.17 0
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403152 135058992 1 FN3O5H24C27 AB3C5D24E27 -138.18 8.59 -9.18 -0.97 0
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403153 135058993 1 O2N5H11C12 A2B5C11D12 42.22 6.25 -10.68 -2.58 0
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403154 135058994 1 PN3O5C16H24 AB3C5D16E24 -212.24 6.66 -9.2 -0.56 0
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403155 135058997 1 ClN3O3H12C16 AB3C3D12E16 -14.62 4.04 -9.02 -2.56 0
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403156 135058998 1 BrON3H10C15 ABC3D10E15 84.12 2.19 -9.55 -1.14 0
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403157 135059008 1 O5H22C28 A5B22C28 -101.97 1.84 -8.41 -0.4 0
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403158 135059013 2 N2O2C9H10 A2B2C9D10 -84.66 1.83 -8.45 -2.26 -2
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403159 135059015 1 NPO9C14H18 ABC9D14E18 -327.49 3.31 -9.73 -1.71 0
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403160 135059016 1 NPO9C14H20 ABC9D14E20 -437.23 2.18 -9.74 -0.68 0
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403161 135059023 1 ClOH9C10 ABC9D10 -22.75 2.16 -8.87 -0.34 0
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403162 135059024 1 BClKF3C8H14 ABCD3E8F14 -364.38 9.96 -9.19 0.11 -1