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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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380603 134971092 1 NO4C22H23 AB4C22D23 -109.86 6.99 -9.15 -0.14 0
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380604 134971093 1 NSO6C26H33 ABC6D26E33 -184.89 5.73 -9.1 -0.36 0
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380605 134971095 1 NSO8C24H37 ABC8D24E37 -341.96 6.91 -10.0 -0.7 0
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380606 134971096 1 NO6C18H33 AB6C18D33 -297.74 1.46 -9.71 0.88 0
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380607 134971097 1 NSO2C17H19 ABC2D17E19 -31.12 5.17 -9.47 -0.34 0
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380608 134971098 1 ClNOC19H22 ABCD19E22 8.35 4.12 -8.52 -0.17 0
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380609 134971099 1 NPO2C19H28 ABC2D19E28 -74.79 1.4 -8.28 0.43 0
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380610 134971100 1 NOSeC6H13 ABCD6E13 -41.52 3.27 -8.32 0.12 0
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380611 134971101 1 N3O11C39H43 A3B11C39D43 -348.17 3.42 -8.74 -1.14 0
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380612 134971102 1 BrN3O11C39H42 AB3C11D39E42 -339.22 1.62 -8.94 -1.35 0
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380613 134971105 1 NO2S2H23C24 AB2C2D23E24 -36.84 2.73 -8.16 -0.23 0
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380615 134971107 1 NC14H23 AB14C23 2.43 1.42 -7.58 0.8 0
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380616 134971108 1 NO6C10H21 AB6C10D21 -269.49 4.62 -9.39 0.94 0
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380617 134971109 3 O2C7H10 A2B7C10 -268.49 2.87 -9.12 -0.28 0
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380618 134971110 1 SiO5C25H44 AB5C25D44 -307.98 3.23 -8.8 0.12 -3
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380619 134971114 1 CrO4C21H29 AB4C21D29 -32.83 3.99 0.0 0.0 0
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380620 134971115 1 N2C29H36 A2B29C36 112.4 0.88 -8.6 0.31 0
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380621 134971116 2 ClNC4H10 ABC4D10 -108.32 8.28 -10.46 1.64 0
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380622 134971117 2 ClNC5H12 ABC5D12 -116.66 4.88 -10.35 1.51 0
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380623 134971118 2 NOC14H20 ABC14D20 -25.48 2.31 -8.33 0.25 0
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380624 134971119 1 PN2O3C28H39 AB2C3D28E39 -97.44 6.0 -8.91 -0.02 0
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380627 134971123 2 O4C17H25 A4B17C25 -351.99 4.39 -9.49 -1.17 0
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380628 134971124 1 O7C34H56 A7B34C56 -342.69 2.93 -9.4 -0.06 0
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380629 134971125 1 O7C34H56 A7B34C56 -360.94 3.62 -9.34 0.35 0
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380630 134971128 1 NOC10H11 ABC10D11 -17.76 4.9 -8.87 -0.16 0
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380631 134971129 1 S2O9C24H24 A2B9C24D24 -312.44 8.05 -10.03 -0.59 0
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380632 134971130 1 LiPO3H22C23 ABC3D22E23 -86.07 2.62 -7.93 0.12 0
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380633 134971132 1 LiN2C9H13 AB2C9D13 30.91 7.54 -7.43 1.61 0
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380634 134971139 1 O3C10H16 A3B10C16 -129.42 2.74 -9.77 0.78 0
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380635 134971145 2 NC13H18 AB13C18 54.03 0.45 -8.5 0.29 0
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380636 134971146 1 OPN2C26H35 ABC2D26E35 -24.23 3.23 -8.96 0.29 0
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380637 134971147 2 NC12H16 AB12C16 36.49 2.89 -8.69 0.37 0
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380638 134971149 1 OPN2C28H35 ABC2D28E35 20.48 3.96 -9.28 -0.02 0
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380639 134971151 1 ZrO2H20C22 AB2C20D22 79.13 4.66 -6.1 -0.73 0
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380640 134971152 2 OC8H10 AB8C10 -60.27 1.67 -9.31 -1.2 0
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380641 134971153 1 SN2O5C18H28 AB2C5D18E28 -223.05 2.92 -9.75 -0.45 0
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380642 134971154 1 NSiO2C16H27 ABC2D16E27 -137.15 4.02 -8.89 -0.41 0
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380643 134971155 1 RuCl2N2O2P2C30H30 AB2C2D2E2F30G30 130.96 5.25 -7.02 -1.38 0
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380645 134971157 1 SiN3O6C21H31 AB3C6D21E31 -242.72 2.94 -8.93 -0.8 0
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380647 134971160 1 ISiO8C25H37 ABC8D25E37 -368.61 3.78 -8.91 -1.28 0
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380648 134971164 1 NO5C11H19 AB5C11D19 -208.6 5.39 -10.24 0.66 0
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380649 134971165 1 NO5C17H21 AB5C17D21 -85.78 6.29 -8.99 -1.12 0
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380650 134971167 1 N2O5H16C17 A2B5C16D17 -135.75 1.54 -9.39 -0.93 0
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380651 134971168 1 NO5C6H11 AB5C6D11 -228.16 2.68 -10.4 -0.24 0
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380655 134971173 1 O5C18H32 A5B18C32 -229.68 1.97 -9.64 -0.08 0
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380656 134971175 1 NSi2O10C56H75 AB2C10D56E75 -435.94 5.47 -8.95 -0.85 0
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380657 134971176 1 O5H16C23 A5B16C23 -107.48 2.7 -8.26 -1.18 0
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380658 134971177 2 O2H7C10 A2B7C10 -62.01 4.42 -8.59 -1.66 0
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380659 134971178 1 O2N5C11H11 A2B5C11D11 -9.61 5.08 -9.71 -0.7 0
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380660 134971180 1 NOSiC21H21 ABCD21E21 -6.27 3.22 -8.7 -0.05 0
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380661 134971181 2 C10H11 A10B11 32.01 1.07 -8.11 -0.8 0
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380662 134971182 1 O3N5H47C52 A3B5C47D52 87.54 3.54 -8.71 -1.36 0
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380663 134971183 2 SN3O4C28H34 AB3C4D28E34 -180.09 4.18 -8.58 -0.76 0
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380664 134971184 1 O2N3C12H15 A2B3C12D15 -5.22 9.96 -8.53 -1.27 0
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380665 134971185 1 N2O3C19H20 A2B3C19D20 0.28 3.03 -9.0 -0.39 0
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380666 134971186 1 N2O3H24C25 A2B3C24D25 23.93 4.07 -8.67 -0.14 0
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380667 134971187 1 N2O3H24C25 A2B3C24D25 26.2 1.38 -8.63 -0.16 0
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380668 134971188 1 N2O5C16H18 A2B5C16D18 -88.59 2.09 -9.22 -0.9 0
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380669 134971189 1 N2O5C14H14 A2B5C14D14 -83.68 3.72 -9.43 -1.32 0
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380670 134971190 1 CuNO3C19H26 ABC3D19E26 -91.58 2.25 -7.74 0.39 0
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380671 134971191 1 NO3C19H26 AB3C19D26 -94.11 3.28 0.0 0.0 0
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380672 134971192 1 CuNO3C19H27 ABC3D19E27 -14.72 3.5 0.0 0.0 0
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380673 134971193 1 NO3C19H27 AB3C19D27 -138.46 4.34 -8.94 0.2 0
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380674 134971194 1 NO3C19H25 AB3C19D25 -130.36 3.29 -9.39 0.33 0
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380675 134971195 1 PO2H21C29 AB2C21D29 25.37 4.85 -8.86 -0.19 0
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380676 134971196 1 OPH21C29 ABC21D29 84.18 1.6 -8.88 0.05 0
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380677 134971197 1 P2O3H36C49 A2B3C36D49 71.34 1.47 -7.83 -0.88 0
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380678 134971198 1 P2O3H36C49 A2B3C36D49 67.99 3.42 -7.83 -0.94 0
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380679 134971201 1 NO4C8H17 AB4C8D17 -203.02 6.28 -10.25 0.97 0
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380680 134971202 1 OSN4H12C13 ABC4D12E13 50.82 9.13 -9.26 -1.24 0
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380681 134971203 1 OSiC15H28 ABC15D28 -133.05 0.95 -8.58 1.36 0
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380683 134971205 1 O4C21H30 A4B21C30 -168.68 1.55 -9.23 0.48 0
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380684 134971206 1 NSO5C16H21 ABC5D16E21 -195.1 4.51 -8.85 -0.14 0
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380685 134971207 1 NSSiO5C19H31 ABCD5E19F31 -263.52 9.02 -8.51 0.3 0
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380686 134971208 1 OC9H18 AB9C18 -69.52 2.45 -9.92 0.88 0
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380687 134971209 2 NO2C13H19 AB2C13D19 -181.31 1.95 -9.38 0.16 0
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380688 134971211 1 NOC17H27 ABC17D27 -40.81 1.33 -8.65 1.17 0
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380689 134971212 1 NO2H21C26 AB2C21D26 20.16 2.66 -8.5 -0.14 0
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380690 134971214 1 NO5C26H37 AB5C26D37 -199.04 3.21 -8.86 -0.06 0
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380691 134971215 1 NO5C25H33 AB5C25D33 -189.54 5.84 -9.18 0.13 0
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380692 134971219 1 SiO8C21H36 AB8C21D36 -400.82 6.17 -8.51 -0.06 0
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380693 134971220 1 SiO7C21H34 AB7C21D34 -316.93 3.26 -8.84 -0.15 0
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380694 134971221 1 O6C15H20 A6B15C20 -228.95 5.67 -9.32 -0.83 0
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380695 134971222 1 NO8C38H41 AB8C38D41 -270.87 8.98 -9.53 -1.02 0
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380696 134971223 1 ON2C31H34 AB2C31D34 32.53 3.19 -7.16 0.21 0
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380697 134971224 1 ClO2F3H14C18 AB2C3D14E18 -210.6 6.51 -9.85 -0.48 0
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380698 134971225 2 FO2C8H8 AB2C8D8 -238.88 3.48 -9.68 -1.3 0
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380699 134971226 2 FO2C8H8 AB2C8D8 -234.78 3.66 -9.79 -1.22 0
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380700 134971227 1 NO5C16H27 AB5C16D27 -233.67 3.51 -9.99 -0.11 0
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380701 134971228 1 NSO4C17H23 ABC4D17E23 -149.92 6.55 -8.73 -0.46 0
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380702 134971229 1 IO3C15H17 AB3C15D17 -109.4 5.91 -9.66 -1.12 0
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380703 134971230 1 NSO6C22H31 ABC6D22E31 -253.33 8.66 -8.62 -0.2 0
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380704 134971231 1 NSO5C16H23 ABC5D16E23 -213.33 8.01 -8.74 0.18 0
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380705 134971232 1 NO4C22H31 AB4C22D31 -185.91 6.49 -8.86 0.02 0
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380706 134971233 2 O2C9H12 A2B9C12 -173.04 3.23 -9.73 -0.78 0
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380707 134971234 1 O5C13H16 A5B13C16 -180.52 5.51 -9.57 -0.72 0
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380708 134971235 1 SSiO3C22H36 ABC3D22E36 -177.79 2.59 -8.59 -0.28 0
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380709 134971236 2 O5C13H22 A5B13C22 -515.87 5.78 -10.2 0.64 0
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380710 134971237 1 FeIC16H20 ABC16D20 221.74 1.92 0.0 0.0 0
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380711 134971239 1 IS2C13H23 AB2C13D23 -11.3 1.94 -8.99 -0.66 0