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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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224708 85346995 1 SN2O4C24H34 AB2C4D24E34 -169.51 8.06 -8.14 -0.54 0
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224709 85347000 2 OC15H27 AB15C27 -157.43 2.07 -9.6 1.24 0
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224710 85347001 1 Si2O4C23H50 A2B4C23D50 -355.77 3.62 -9.11 0.49 0
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224711 85347002 1 CrNO7H17C21 ABC7D17E21 28.94 4.45 -7.35 -0.04 0
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224712 85347012 1 O9C23H28 A9B23C28 -299.66 1.93 -8.48 -0.66 0
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224713 85347013 8 OC3H4 AB3C4 -278.8 3.84 -8.37 0.03 0
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224714 85347138 1 ClN2O3C27H27 AB2C3D27E27 -66.53 3.48 -9.48 -0.65 0
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224715 85347367 2 NH16C18 AB16C18 294.52 6.41 -8.06 -0.88 0
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224716 85347457 1 SO7C27H36 AB7C27D36 -275.22 6.39 -8.98 -0.41 2
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224717 85348008 1 TiN4C41H42 AB4C41D42 190.86 6.25 -8.33 -3.48 0
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224718 85348501 1 Si2O7N8C56H80 A2B7C8D56E80 -303.32 5.01 -8.36 -0.51 0
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224719 85348532 1 NOSeC10H12 ABCD10E12 25.55 4.18 0.0 0.0 0
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224720 85348787 1 ClNO2C8H12 ABC2D8E12 -111.73 4.8 -9.67 0.14 0
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224721 85348942 1 OC15H20 AB15C20 -11.79 1.9 -9.36 0.34 0
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224722 85348983 1 NOSC12H15 ABCD12E15 -9.73 2.13 -8.82 -0.14 0
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224723 85348985 1 ClNO3C9H16 ABC3D9E16 -136.82 3.88 -9.68 0.05 0
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224724 85348986 1 OSF3C9H9 ABC3D9E9 -172.88 4.1 -9.28 -0.76 0
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224725 85349021 1 O3C13H22 A3B13C22 -159.8 1.77 -9.44 0.76 0
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224726 85349035 1 SiO3C11H20 AB3C11D20 -140.97 3.66 -9.7 0.43 0
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224727 85349047 1 O3C14H14 A3B14C14 -87.26 6.33 -9.87 -0.14 0
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224728 85349051 1 ON2C14H18 AB2C14D18 17.58 2.19 -9.41 -0.66 0
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224729 85349059 1 SN3C12H13 AB3C12D13 82.39 9.61 -8.69 -1.02 1
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224730 85349062 1 ClNOH11C13 ABCD11E13 22.97 3.24 0.0 0.0 0
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224732 85349078 1 FN2O5C8H11 AB2C5D8E11 -90.14 4.97 -10.95 -1.87 0
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224734 85349092 1 NCl2O2C6H9 AB2C2D6E9 -107.45 0.93 -9.98 -0.25 0
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224735 85349105 1 O2C15H24 A2B15C24 -65.29 0.89 -9.2 0.67 0
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224736 85349109 1 O5C12H14 A5B12C14 -178.39 1.28 -8.57 0.19 0
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224737 85349124 1 OC16H30 AB16C30 -96.04 2.97 -9.0 0.89 0
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224738 85349140 1 O2C15H28 A2B15C28 -124.41 3.52 -9.59 1.02 0
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224739 85349142 1 S2C13H20 A2B13C20 8.41 2.4 -8.52 0.3 0
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224740 85349143 1 ClO3C12H13 AB3C12D13 -109.02 2.09 -9.63 -0.25 0
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224741 85349153 1 NOC16H19 ABC16D19 17.71 2.13 -8.76 0.24 0
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224742 85349158 1 N2O5C10H14 A2B5C10D14 -203.76 2.25 -10.2 -1.26 0
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224743 85349167 1 S2C13H22 A2B13C22 -5.8 2.23 -8.39 0.31 0
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224744 85349176 1 NO2C15H17 AB2C15D17 -25.12 4.54 -9.64 -0.26 0
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224745 85349177 1 NO2C15H17 AB2C15D17 -57.79 6.71 -8.58 -0.71 0
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224746 85349193 1 NOC16H23 ABC16D23 27.02 3.29 -9.37 0.35 0
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224747 85349198 3 OC5H6 AB5C6 -101.31 2.28 -9.86 -0.75 0
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224748 85349199 3 OC5H6 AB5C6 -53.95 5.93 -8.34 -0.63 0
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224749 85349202 1 OSN2C13H16 ABC2D13E16 -26.77 6.19 -8.95 -0.57 0
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224750 85349208 1 NOSC14H17 ABCD14E17 29.13 1.62 -8.37 -0.04 0
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224751 85349212 1 OSF3C11H11 ABC3D11E11 -177.41 5.74 -9.18 -0.57 0
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224753 85349217 2 OC8H12 AB8C12 -31.91 2.65 -9.57 0.52 0
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224754 85349224 1 NO3C14H19 AB3C14D19 -140.13 5.5 -9.3 0.15 0
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224755 85349225 1 NSO3C11H23 ABC3D11E23 -158.87 0.98 -8.13 0.57 0
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224756 85349226 1 NC17H31 AB17C31 -31.25 1.13 -8.8 1.13 0
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224757 85349253 1 ClNSO2C10H18 ABCD2E10F18 -108.56 3.03 -9.31 -1.48 0
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224758 85349262 1 OS2C13H16 AB2C13D16 -4.77 4.17 -8.43 -0.23 0
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224759 85349318 1 NO4H13C14 AB4C13D14 -144.2 4.91 -10.14 -1.07 0
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224760 85349324 1 O7C11H16 A7B11C16 -295.27 5.19 -10.89 -1.04 0