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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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506 2894 1 O4N5C23H27 A4B5C23D27 -69.97 2.69 -8.26 -0.53 0
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507 2895 1 NC20H21 AB20C21 68.77 1.62 -8.66 -0.27 0
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508 2899 1 NC7H15 AB7C15 -25.37 1.95 -9.26 3.53 0
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509 2901 1 NO2C6H11 AB2C6D11 -102.03 5.31 -10.28 0.71 0
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510 2903 1 NC8H17 AB8C17 -27.88 1.91 -9.29 3.43 0
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511 2905 1 NO3C17H25 AB3C17D25 -132.19 2.55 -8.91 0.07 0
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512 2906 1 NC5H11 AB5C11 -17.43 1.87 -9.33 3.42 0
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513 2909 1 N11O12C62H111 A11B12C62D111 -663.35 7.38 -9.34 -0.12 0
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514 2910 1 ClS2N3O4C14H16 AB2C3D4E14F16 -104.94 8.19 -9.79 -0.96 0
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515 2912 1 NCl2O3H19C22 AB2C3D19E22 -33.94 2.86 -9.18 -0.68 0
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516 2913 1 NC21H21 AB21C21 63.08 1.14 -8.54 -0.22 0
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517 2916 1 NPSC2O3H8 ABCD2E3F8 -218.9 4.93 -9.41 -0.02 0
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518 2917 1 PN3O15C17H26 AB3C15D17E26 -701.97 1.92 -9.81 -0.61 0
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519 2920 1 NO7C28H33 AB7C28D33 -222.17 5.81 -9.59 -0.72 0
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520 2922 1 NO7C30H37 AB7C30D37 -202.11 4.11 -9.59 -0.01 0
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521 2923 1 NO7C30H39 AB7C30D39 -290.25 4.45 -9.45 0.02 0
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522 2924 1 NO5C31H43 AB5C31D43 -224.16 3.46 -9.33 0.14 0
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523 2925 1 NO6C30H37 AB6C30D37 -203.23 5.56 -9.46 0.16 0
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524 2926 1 NO6C30H37 AB6C30D37 -229.35 9.54 -9.64 -0.1 0
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525 2927 1 NPO5C6H14 ABC5D6E14 -296.41 1.98 -9.89 0.3 0
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526 2929 1 ClO2N3H16C22 AB2C3D16E22 19.19 5.69 -9.09 -1.15 0
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527 2930 2 NO2C5H6 AB2C5D6 -120.57 5.59 -9.96 -0.37 0
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528 2931 1 PN3O7C11H16 AB3C7D11E16 -297.68 8.2 -8.84 -0.32 0
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529 2932 1 O4N5C15H23 A4B5C15D23 -149.9 5.39 -8.91 0.1 0
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530 2935 1 SN2C6O6H12 AB2C6D6E12 -264.25 6.81 -10.2 -0.69 0
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531 2936 2 PC3O6H7 AB3C6D7 -662.13 7.91 -10.7 -0.12 0
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532 2937 2 O2C10H15 A2B10C15 -174.46 5.56 -10.05 -0.47 0
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533 2940 1 OS2C11H15 AB2C11D15 -3.27 4.31 0.0 0.0 -1
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534 2941 1 OS2C11H16 AB2C11D16 -33.48 4.03 -9.11 -0.76 0
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535 2945 1 O4H10C15 A4B10C15 -83.98 7.44 -9.02 -1.48 0
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536 2949 1 NO2C22H27 AB2C22D27 4.46 5.01 -8.94 -0.24 0
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537 2950 2 O2H4C7 A2B4C7 -101.63 2.96 -9.41 -1.81 0
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538 2951 1 N4O5H9C14 A4B5C9D14 17.12 6.93 0.0 0.0 -1
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539 2952 1 N4O5H10C14 A4B5C10D14 -29.3 5.44 -9.33 -1.83 0
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540 2953 1 O4H6C9 A4B6C9 -95.38 7.02 -8.44 -1.5 0
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541 2961 1 NPO7C46H82 ABC7D46E82 -397.16 10.53 -9.3 0.04 0
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542 2962 1 NPO7C46H83 ABC7D46E83 -392.32 4.11 0.0 0.0 1
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543 2963 1 N3H15C16 A3B15C16 86.84 8.98 -8.16 -1.14 0
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544 2967 2 O5C16H24 A5B16C24 -483.12 4.17 -8.95 0.13 0
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545 2970 1 O4N5C11H13 A4B5C11D13 -84.06 4.24 -9.11 -0.56 0
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546 2972 1 NO2C7H9 AB2C7D9 -55.95 9.19 -8.33 0.12 0
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547 2974 1 O5C24H33 A5B24C33 -230.89 4.83 0.0 0.0 -1
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548 2975 1 O5C24H34 A5B24C34 -261.89 5.66 -10.4 -0.05 0
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549 2976 1 N2O5C26H32 A2B5C26D32 -193.87 3.6 -9.32 0.13 0
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550 2977 1 O2C21H30 A2B21C30 -116.53 1.0 -8.68 0.53 0
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551 2978 1 O2C21H30 A2B21C30 -113.57 1.16 -8.66 0.57 0
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552 2979 1 RhN6C22H27 AB6C22D27 157.38 5.06 -9.74 -4.22 -3
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553 2980 2 N2C4H11 A2B4C11 -19.71 3.06 -8.94 2.56 0
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554 2981 2 NH5C7 AB5C7 95.55 3.92 -9.18 -1.15 0
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555 2984 1 O3N4C16H24 A3B4C16D24 -122.84 2.43 -9.19 -0.7 0