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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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215718 85085144 1 SN13O13C62H89 AB13C13D62E89 -532.21 5.41 -8.87 -0.5 0
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215719 85085145 1 S2N14O23C46H76 A2B14C23D46E76 -1119.38 19.18 -9.11 -0.5 0
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215720 85085147 1 Cl4N4O4C73H120 A4B4C4D73E120 -292.98 12.04 -7.98 0.0 0
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215721 85085148 1 N4O4C73H116 A4B4C73D116 -148.79 3.0 -8.01 0.34 0
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215722 85085149 4 O7C15H23 A7B15C23 -1271.64 5.93 -9.57 -0.05 0
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215723 85085150 2 N4O8C33H51 A4B8C33D51 -721.03 8.23 -8.57 -0.47 0
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215724 85085152 1 F9O13C67H87 A9B13C67D87 -1038.06 2.74 -9.7 -0.53 0
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215725 85085154 1 ClPO12C76H108 ABC12D76E108 -613.8 4.25 -9.04 -0.03 0
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215726 85085155 2 O9N10C26H44 A9B10C26D44 -823.23 7.45 -9.31 -0.38 0
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215727 85085156 1 O29C60H96 A29B60C96 -1254.54 5.71 -9.05 0.02 0
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215728 85085157 1 N11O14C66H117 A11B14C66D117 -673.26 14.01 -9.12 -1.81 0
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215729 85085158 1 S2O15N16C55H100 A2B15C16D55E100 -769.7 6.08 -9.16 -0.2 0
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215730 85085159 1 SNa3N4O14C66H117 AB3C4D14E66F117 -607.08 141.06 -4.99 -3.34 0
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215731 85085160 1 SN4O14C66H120 AB4C14D66E120 -859.76 11.2 -9.35 -0.28 0
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215732 85085161 1 S2N15O18C54H81 A2B15C18D54E81 -798.61 11.33 -8.92 -0.53 0
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215733 85085164 1 NO13C81H101 AB13C81D101 -438.02 8.6 -8.65 -0.23 0
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215734 85085165 6 O5C10H16 A5B10C16 -1408.25 7.23 -9.36 0.12 0
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215735 85085166 1 O10N15C69H101 A10B15C69D101 -445.74 3.83 -8.3 -0.28 0
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215736 85085167 1 N15O19C58H91 A15B19C58D91 -915.2 17.45 -9.59 -0.18 0
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215737 85085168 1 SN15O16C59H99 AB15C16D59E99 -797.83 21.49 -9.44 -0.21 0
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215738 85085169 1 O9N33C50H101 A9B33C50D101 -363.33 10.46 -8.98 0.12 0
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215739 85085170 1 SN11O11C69H117 AB11C11D69E117 -475.44 9.09 -8.32 -1.62 0
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215740 85085171 1 N11O14C68H115 A11B14C68D115 -623.11 5.9 -8.81 -0.57 0
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215741 85085173 1 O13N15C67H93 A13B15C67D93 -536.0 15.25 -7.25 -2.51 0
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215742 85085174 1 SO17N19C55H89 AB17C19D55E89 -765.99 2.96 -8.87 0.16 0
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215744 85085179 1 SO16N21C56H91 AB16C21D56E91 -634.66 9.93 -8.98 -1.52 0
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215745 85085180 1 S2N11O15C65H107 A2B11C15D65E107 -764.03 2.69 -8.98 -0.45 0
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215746 85085185 1 SP2Si2N16O20C50H72 AB2C2D16E20F50G72 -805.15 8.97 -9.05 -0.92 0
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215747 85085188 1 SO15N17C64H97 AB15C17D64E97 -650.75 5.59 -9.25 -0.59 0
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215748 85085191 2 O8N10C31H51 A8B10C31D51 -738.96 14.54 -8.99 -0.3 0
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215749 85085192 1 SO12N17C68H105 AB12C17D68E105 -526.26 8.53 -8.37 -0.43 0
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215750 85085193 3 O11C21H34 A11B21C34 -1521.78 7.6 -9.21 0.17 0
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215751 85085196 1 S2O14N19C62H95 A2B14C19D62E95 -576.34 10.94 -8.58 -0.75 0
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215752 85085199 1 O32C65H106 A32B65C106 -1503.47 8.43 -9.54 0.14 0
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215753 85085200 1 S2N17O17C60H105 A2B17C17D60E105 -875.38 8.41 -9.1 0.0 0
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215754 85085204 1 P3N13O18C62H104 A3B13C18D62E104 -924.16 4.15 -8.89 -1.69 0
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215755 85085205 1 PSSi5N7O13C67H106 ABC5D7E13F67G106 -807.2 9.4 -8.82 -0.77 0
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215756 85085208 1 S3N19O21C54H87 A3B19C21D54E87 -929.04 13.08 -7.73 -0.8 0
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215757 85085209 1 O31C70H102 A31B70C102 -1386.51 15.72 -9.06 -0.86 0
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215758 85085210 1 FP3N7O26C62H77 AB3C7D26E62F77 -1294.66 6.95 -8.81 -0.35 0
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215759 85085211 1 NH5Cl23C31 AB5C23D31 -15.15 2.17 0.0 0.0 0
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215760 85085213 1 N3O23C77H111 A3B23C77D111 -905.06 8.23 -8.62 -1.69 -5
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215762 85085215 1 S2O12N13C61H77 A2B12C13D61E77 -457.06 10.07 -8.4 -0.36 0
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215763 85085217 1 O25C78H140 A25B78C140 -1333.93 9.32 -9.94 0.48 0
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215764 85085218 1 O14N19C72H129 A14B19C72D129 -762.53 10.8 -9.1 -0.24 0
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215765 85085221 1 FSN7O18C78H116 ABC7D18E78F116 -859.12 10.2 -8.54 -1.48 0
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215766 85085222 1 SN10O12C81H158 AB10C12D81E158 -814.98 6.99 -9.02 0.16 0
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215767 85085223 1 InS3N14O23C54H76 AB3C14D23E54F76 -713.63 15.27 0.0 0.0 0
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215768 85085231 1 N6O33C71H116 A6B33C71D116 -1423.35 39.45 -9.29 -2.75 0
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215769 85085232 1 N5O33C71H113 A5B33C71D113 -1465.21 9.14 -9.56 -0.82 0