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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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427664 135161068 1 FON8C26H29 ABC8D26E29 117.35 5.62 -8.43 -0.58 0
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427665 135161069 1 FO4N6C23H27 AB4C6D23E27 -69.21 3.69 -8.32 -0.65 0
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427666 135161070 1 N6F7C22H25 A6B7C22D25 -286.25 2.69 -8.84 -0.56 0
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427667 135161071 1 PO3N8C25H27 AB3C8D25E27 59.91 4.97 -8.78 -1.03 0
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427668 135161072 1 F2N5C24H31 A2B5C24D31 -28.0 5.32 -8.4 -0.6 0
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427669 135161073 1 FO4N7C27H32 AB4C7D27E32 -100.77 5.05 -8.48 -0.94 0
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427670 135161074 1 O3F5N6C19H19 A3B5C6D19E19 -286.15 2.57 -8.98 -1.35 0
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427671 135161091 1 FN8C20H21 AB8C20D21 108.37 4.55 -8.6 -0.89 0
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427672 135161134 1 FO4C20H21 AB4C20D21 -101.73 0.97 -8.91 -0.8 0
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427673 135161136 2 FN3C11H11 AB3C11D11 44.14 4.83 -8.68 -0.62 0
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427674 135161138 1 NF4C14H17 AB4C14D17 -180.91 2.29 -9.72 -0.39 0
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427675 135161178 1 FN2C18H25 AB2C18D25 -15.11 2.53 -8.91 0.31 0
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427676 135161200 1 NO3C14H19 AB3C14D19 -71.22 6.3 -8.75 0.01 0
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427677 135161201 1 NSO3C11H17 ABC3D11E17 -79.21 8.17 -9.81 0.29 0
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427678 135161202 1 NO2C14H17 AB2C14D17 -9.16 5.6 -8.29 -0.17 0
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427679 135161203 2 NOC6H10 ABC6D10 -76.8 2.95 -8.74 -0.16 0
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427680 135161204 1 BrNO2C10H14 ABC2D10E14 -74.08 3.4 -9.06 -0.8 0
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427681 135161205 2 NO2C7H9 AB2C7D9 -132.92 7.15 -9.28 -0.86 0
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427682 135161206 1 NO2C14H27 AB2C14D27 -150.55 2.75 -9.34 1.09 0
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427683 135161228 1 NC15H23 AB15C23 34.17 1.08 -8.07 0.32 0
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427684 135161253 1 ClN6C19H29 AB6C19D29 38.32 2.33 -8.22 0.1 0
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427685 135161275 1 ClN6C22H23 AB6C22D23 113.94 2.01 -8.21 -0.17 0
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427687 135161334 1 ClON7C24H32 ABC7D24E32 23.17 9.02 -8.07 -0.61 0
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427688 135161335 1 ClON5H18C21 ABC5D18E21 90.39 4.07 -8.23 -0.46 0
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427689 135161336 1 ClN5C18H24 AB5C18D24 51.89 1.38 -8.29 -0.01 0
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427690 135161337 1 ClN5H20C23 AB5C20D23 126.82 3.86 -8.41 -0.51 0
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427691 135161339 1 ON3C15H19 AB3C15D19 38.22 2.45 -8.39 -0.04 0
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427692 135161340 1 FN4C13H17 AB4C13D17 14.45 2.39 -7.81 0.13 0
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427693 135161341 1 ClOF3N5H17C18 ABC3D5E17F18 -99.83 2.39 -9.41 -1.6 0
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427694 135161380 1 ClFN4H18C19 ABC4D18E19 39.49 1.16 -8.3 -0.09 0
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427695 135161412 2 NC7H10 AB7C10 26.58 2.61 -9.11 0.04 0
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427696 135161419 1 ON4C15H24 AB4C15D24 -11.19 6.15 -8.5 -0.48 0
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427697 135161426 1 N3C18H31 A3B18C31 62.87 2.32 -8.54 -0.14 0
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427698 135161429 1 ClN3C10H14 AB3C10D14 17.48 5.23 -8.57 -0.34 0
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427699 135161465 2 O2C7H10 A2B7C10 -171.38 6.38 -9.47 -0.73 0
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427700 135161466 1 ON2C13H26 AB2C13D26 -53.98 4.75 -8.03 0.34 0
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427701 135161467 1 ClN2O3C17H17 AB2C3D17E17 -119.66 5.55 -8.97 -0.61 0
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427702 135161468 1 ClC12H25 AB12C25 -76.61 2.68 -10.42 1.03 0
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427703 135161469 1 ClN2O4C17H17 AB2C4D17E17 -163.63 4.96 -8.86 -0.69 0
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427704 135161470 1 N2O4C25H34 A2B4C25D34 -141.05 6.24 -8.39 -0.21 0
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427705 135161477 1 FN2C18H19 AB2C18D19 -1.3 3.56 -8.46 -0.3 0
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427706 135161517 1 N2O5C20H20 A2B5C20D20 -150.16 3.72 -9.04 -0.72 0
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427707 135161551 1 ON2C7H10 AB2C7D10 1.6 1.47 -8.22 0.0 0
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427708 135161553 1 OF3N3C15H20 AB3C3D15E20 -187.77 8.78 -8.66 -0.6 0
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427709 135161574 1 F3N4O4H23C26 A3B4C4D23E26 -217.15 5.78 -8.66 -0.76 0
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427710 135161583 1 F3N4O5H21C26 A3B4C5D21E26 -231.32 5.31 -9.24 -0.66 0
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427711 135161590 1 N3O3C18H19 A3B3C18D19 -54.48 2.73 -8.95 -0.74 0
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427712 135161591 1 O4N6H14C17 A4B6C14D17 -24.11 6.13 -9.32 -1.08 1
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427713 135161592 1 N4S4O16C46H63 A4B4C16D46E63 -612.95 11.73 0.0 0.0 0
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427715 135161596 4 FNOH4C6 ABCD4E6 -235.8 3.43 -9.47 -1.14 0