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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393188 135019651 1 NO3H19C22 AB3C19D22 -62.46 3.49 -8.49 -0.55 0
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393189 135019653 1 SN3O12H15C19 AB3C12D15E19 -191.72 4.91 -11.01 -3.15 0
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393190 135019675 1 NO2C23H25 AB2C23D25 32.44 1.85 -9.02 0.22 0
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393191 135019678 1 NOS2C15H17 ABC2D15E17 11.28 7.05 -8.42 -0.76 0
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393192 135019686 1 NO4C23H23 AB4C23D23 -74.31 3.96 -8.38 -0.52 0
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393193 135019689 1 ClNO4C17H18 ABC4D17E18 -66.15 8.02 -8.9 -1.26 0
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393194 135019691 1 O3C8H10 A3B8C10 -111.69 1.76 -9.15 -0.17 0
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393195 135019696 1 SiO2C18H32 AB2C18D32 -168.87 3.78 -8.58 0.78 0
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393196 135019697 1 NO2I3C26H34 AB2C3D26E34 -53.01 3.71 -8.77 -1.71 0
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393198 135019701 1 N2O7C26H36 A2B7C26D36 -290.56 5.52 -8.89 0.02 0
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393199 135019702 1 OSH22C23 ABC22D23 135.86 4.07 -8.54 -0.29 0
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393200 135019703 2 O3C13H22 A3B13C22 -329.65 4.59 -10.43 -0.64 0
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393201 135019704 1 ClNSO2H20C22 ABCD2E20F22 -23.82 7.39 -8.96 -0.56 0
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393202 135019705 1 O2C19H20 A2B19C20 -55.93 1.94 -9.11 -0.14 0
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393203 135019726 1 O3N5H21C22 A3B5C21D22 -36.77 2.74 -8.77 -0.76 0
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393204 135019727 1 ON5C15H17 AB5C15D17 23.22 3.82 -8.73 -0.77 0
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393205 135019728 2 O2N3C14H15 A2B3C14D15 -87.11 1.83 -8.94 -0.74 0
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393206 135019731 1 N2C21H24 A2B21C24 89.07 4.52 -9.16 -0.03 0
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393207 135019740 1 O6C17H20 A6B17C20 -229.5 6.26 -8.9 -1.08 0
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393208 135019745 1 NSiO3C44H51 ABC3D44E51 -96.17 2.18 -8.67 -1.13 0
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393209 135019747 1 NO14H55C67 AB14C55D67 -251.37 13.04 -8.31 -2.06 -4
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393210 135019749 1 PdN2F4C7H8 AB2C4D7E8 -114.88 10.23 -8.51 -0.9 1
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393211 135019750 1 O2N3C5H10 A2B3C5D10 -27.29 3.94 0.0 0.0 0
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393214 135019756 1 NO6C25H35 AB6C25D35 -228.09 2.54 -8.33 -0.19 0
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393215 135019757 1 NO8C31H41 AB8C31D41 -349.08 4.37 -8.74 -0.06 0
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393216 135019758 1 NSi3O6C43H75 AB3C6D43E75 -406.87 3.11 -8.2 0.29 0
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393217 135019761 1 NSiO4C22H33 ABC4D22E33 -219.65 5.91 -8.97 -0.77 0
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393218 135019762 1 NSiO4C22H35 ABC4D22E35 -247.58 1.45 -8.71 0.0 0
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393219 135019763 1 NSiO2C18H29 ABC2D18E29 -140.03 3.95 -8.95 -0.07 0
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393220 135019767 1 N4O9C36H54 A4B9C36D54 -391.18 6.12 -8.02 -0.16 0
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393221 135019769 1 SN7O11C29H39 AB7C11D29E39 -370.52 15.01 -9.25 -1.19 0
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393222 135019771 1 IN2O3H25C27 AB2C3D25E27 -1.36 5.73 -8.4 -1.05 0
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393223 135019774 1 N2H22C23 A2B22C23 86.74 3.0 -8.65 -0.37 0
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393224 135019775 1 NO4H17C20 AB4C17D20 -105.72 1.16 -10.12 -1.87 0
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393225 135019776 1 SF3O4H21C27 AB3C4D21E27 -253.62 2.71 -9.12 -1.76 0
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393226 135019778 1 NO15C22H33 AB15C22D33 -660.37 3.91 -10.22 -0.2 0
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393227 135019780 1 NH33C60 AB33C60 686.51 23.06 -6.28 -2.3 0
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393228 135019781 1 SiO2C28H36 AB2C28D36 -61.4 2.86 -9.06 -0.06 0
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393229 135019782 1 Si2O3C38H60 A2B3C38D60 -243.43 1.96 -8.67 0.02 0
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393230 135019783 1 SSiN2O6C31H52 ABC2D6E31F52 -251.63 6.22 -8.88 -1.73 1
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393231 135019785 1 OCl2N2C5H5 AB2C2D5E5 -12.59 4.95 0.0 0.0 1
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393232 135019786 1 O2H9C10 A2B9C10 -3.26 1.39 0.0 0.0 0
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393233 135019787 1 BrNO3C19H20 ABC3D19E20 -113.47 2.01 -8.69 -0.89 0
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393234 135019791 1 NSO6C27H29 ABC6D27E29 -176.47 4.31 -8.84 -0.38 0
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393235 135019792 1 NSO6C26H27 ABC6D26E27 -163.38 6.16 -9.06 -0.59 0
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393236 135019793 1 BrNSO6C26H26 ABCD6E26F26 -159.49 6.61 -9.14 -0.71 0
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393237 135019820 2 O2H13C14 A2B13C14 -15.26 5.75 -8.8 -0.77 0
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393238 135019827 2 OC9H10 AB9C10 -59.91 1.48 -9.18 -0.07 0
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393239 135019833 2 NO4C9H14 AB4C9D14 -356.83 1.68 -9.7 -0.77 0
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393240 135019838 1 OSC12H18 ABC12D18 -33.79 3.01 -9.27 -0.32 0