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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14650 416913 1 O3N4C29H30 A3B4C29D30 27.03 7.01 -8.72 -0.04 0
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14651 416915 1 NO2C16H21 AB2C16D21 -59.15 2.95 -8.48 -0.05 0
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14652 416940 1 OPC22H24 ABC22D24 29.16 6.94 0.0 0.0 0
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14653 416963 1 ON3C16H21 AB3C16D21 -16.25 3.49 -8.59 -0.47 0
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14654 417034 1 O2S2N6C23H26 A2B2C6D23E26 16.3 4.65 -8.84 -0.81 0
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14655 417044 1 N2O2H22C23 A2B2C22D23 14.6 1.13 -7.79 -0.78 0
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14656 417052 1 ON2C13H14 AB2C13D14 8.42 3.67 -8.13 -0.41 0
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14657 417054 1 PC24H26 AB24C26 79.49 8.05 0.0 0.0 0
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14658 417057 1 SN3O3C13H13 AB3C3D13E13 -24.87 3.22 -8.79 -1.17 0
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14660 417091 1 ON2H18C21 AB2C18D21 77.57 5.0 -7.77 -0.8 0
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14661 417092 1 ON2H18C21 AB2C18D21 58.12 1.19 -8.03 -0.8 0
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14662 417093 1 SN2O6C23H23 AB2C6D23E23 -162.38 5.3 0.0 0.0 1
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14663 417114 1 N2O5C26H30 A2B5C26D30 -124.94 2.34 -8.42 -0.1 0
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14664 417140 1 N2O2C15H22 A2B2C15D22 -70.67 1.19 -8.4 0.37 0
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14665 417163 1 N2C9H12 A2B9C12 37.84 2.07 -8.35 0.6 0
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14666 417172 1 ON2C11H12 AB2C11D12 62.51 2.98 -7.85 -0.35 0
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14667 417174 1 NO3C29H48 AB3C29D48 -153.22 3.02 0.0 0.0 1
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14668 417211 1 NC24H26 AB24C26 105.24 4.32 0.0 0.0 1
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14669 417219 2 NO5C10H13 AB5C10D13 -423.19 4.54 -8.18 0.28 0
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14670 417263 1 NO2C21H25 AB2C21D25 -53.13 1.78 -8.81 0.06 0
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14671 417264 1 BrNO2C27H28 ABC2D27E28 -24.5 2.73 -8.88 -0.34 0
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14672 417272 1 NO2C18H27 AB2C18D27 -99.83 0.78 -8.81 0.33 0
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14673 417291 1 O8C39H60 A8B39C60 -372.32 0.45 -9.97 -2.17 0
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14674 417294 1 ClNO2C10H13 ABC2D10E13 -73.54 1.36 0.0 0.0 1
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14675 417295 1 ClO2N3C13H19 AB2C3D13E19 -64.87 2.62 0.0 0.0 1
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14676 417352 1 NO2C17H21 AB2C17D21 -53.22 1.82 -8.47 -0.27 0
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14677 417353 1 SN2O6C23H23 AB2C6D23E23 -145.92 6.13 0.0 0.0 1
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14678 417373 1 OSC22H29 ABC22D29 -25.96 5.04 0.0 0.0 0
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14679 417395 1 O2N3C7H9 A2B3C7D9 -48.63 5.58 -9.96 -1.06 0
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14680 417474 1 ClN2C10H11 AB2C10D11 22.11 1.87 -9.01 -0.18 0
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14681 417475 1 ClN2C6H13 AB2C6D13 -9.08 2.22 -8.99 0.82 0
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14682 417479 2 N3O5C26H34 A3B5C26D34 -401.75 7.35 -9.62 -0.43 0
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14683 417488 1 CuI2N2O6H10C16 AB2C2D6E10F16 -22.21 9.05 0.0 0.0 0
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14684 417577 1 Zn2O8C23H29 A2B8C23D29 -201.08 7.53 0.0 0.0 -1
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14685 417582 1 OPC15H24 ABC15D24 -55.56 2.97 0.0 0.0 1
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14686 417714 1 NC11H20 AB11C20 43.31 1.64 0.0 0.0 1
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14687 417733 1 Cl3N3O4C32H40 A3B3C4D32E40 -99.55 4.62 -8.1 0.17 0
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14688 417769 1 NSO6C13H16 ABC6D13E16 -179.61 3.5 0.0 0.0 1
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14689 417770 1 NO2C12H12 AB2C12D12 -41.04 2.76 0.0 0.0 1
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14690 417935 1 N2C18H31 A2B18C31 -25.93 2.59 0.0 0.0 1
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14691 417959 1 SO5C17H24 AB5C17D24 -178.71 6.48 -8.88 -0.3 0
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14692 417987 1 OSN2H17C18 ABC2D17E18 30.25 2.59 0.0 0.0 1
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14693 417988 2 N2C9H13 A2B9C13 33.47 2.44 -7.58 0.47 0
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14694 417997 1 SC21H45 AB21C45 -97.62 1.9 0.0 0.0 0
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14695 418001 1 AlO5C6H17 AB5C6D17 -249.37 4.24 -10.55 0.42 0
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14696 418014 1 ClNH8C10 ABC8D10 28.72 2.22 -8.33 -0.57 0
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14697 418029 1 NC7H17 AB7C17 -25.36 1.45 -8.48 2.94 0
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14698 418065 1 S2C11H23 A2B11C23 -27.71 3.4 0.0 0.0 0
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14699 418145 1 SO2N3H8C12 AB2C3D8E12 83.05 1.76 0.0 0.0 1
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14700 418163 1 NSH10C13 ABC10D13 76.09 2.51 0.0 0.0 1