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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396495 135028587 1 ON2C16H16 AB2C16D16 32.65 2.99 -8.44 -0.15 0
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396496 135028589 1 O2C11H12 A2B11C12 16.66 2.25 -9.41 0.26 0
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396497 135028590 1 NO4C17H21 AB4C17D21 -156.56 1.84 -9.37 -0.49 0
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396498 135028591 1 NOF5H8C14 ABC5D8E14 -220.22 5.05 -9.35 -0.92 0
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396499 135028592 1 NOF5H8C14 ABC5D8E14 -224.36 5.3 -9.11 -1.15 -1
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396500 135028593 1 CoNH8C10 ABC8D10 52.79 9.78 -9.75 -5.57 0
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396501 135028594 1 NSO3C16H17 ABC3D16E17 -54.13 6.23 -9.68 -0.55 0
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396502 135028595 1 BrNSO4H16C17 ABCD4E16F17 -101.8 4.42 -9.93 -0.58 0
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396503 135028596 1 NO9C21H35 AB9C21D35 -345.61 3.81 -10.25 -0.61 0
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396504 135028597 1 NO9C21H35 AB9C21D35 -357.0 0.74 -10.22 -0.65 0
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396505 135028598 1 N2O2H20C21 A2B2C20D21 1.61 2.84 -9.34 -0.44 0
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396507 135028600 1 N2O6C23H24 A2B6C23D24 -176.9 2.73 -8.91 -0.37 0
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396508 135028602 1 NSiO5C16H31 ABC5D16E31 -298.52 1.37 -9.06 0.98 0
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396509 135028603 1 NSO5C15H19 ABC5D15E19 -186.69 5.82 -9.91 -0.84 0
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396510 135028605 1 NSO2C15H19 ABC2D15E19 -53.39 3.58 -9.84 -0.29 0
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396511 135028606 1 NO5C28H29 AB5C28D29 -160.79 3.5 -9.15 -0.67 0
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396513 135028608 2 OC3H5 AB3C5 -93.91 2.53 -9.86 1.93 0
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396515 135028610 2 OC8H11 AB8C11 -70.52 1.58 -9.35 0.35 0
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396516 135028611 1 NOC12H19 ABC12D19 -63.92 4.8 -9.18 0.97 0
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396517 135028613 2 OC8H8 AB8C8 -13.11 4.96 -9.67 -0.84 0
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396518 135028614 1 SiO3C18H24 AB3C18D24 -99.3 4.58 -9.02 -0.9 0
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396519 135028616 1 CuO2C8H8 AB2C8D8 27.55 1.85 0.0 0.0 0
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396520 135028617 1 ON2C17H20 AB2C17D20 -27.36 4.62 -7.98 -0.03 1
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396521 135028619 1 BNPO2C17H20 ABCD2E17F20 97.81 6.66 0.0 0.0 0
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396522 135028621 1 SF3O8C22H23 AB3C8D22E23 -421.22 3.31 -9.48 -1.16 0
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396523 135028622 1 SF3O8C22H23 AB3C8D22E23 -420.95 3.2 -9.39 -1.44 0
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396524 135028624 1 FO5C21H23 AB5C21D23 -197.51 2.76 -9.29 -0.12 0
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396525 135028625 1 NO6C21H23 AB6C21D23 -192.4 0.53 -9.41 -0.65 0
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396526 135028626 3 NO2C7H7 AB2C7D7 -116.58 2.07 -9.73 -0.83 0
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396527 135028635 1 SN2O2C14H18 AB2C2D14E18 -53.96 2.72 -8.79 -0.22 0
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396529 135028650 1 SN2O2C21H22 AB2C2D21E22 61.77 4.68 -8.88 -0.66 0
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396531 135028672 1 SH13C15 AB13C15 89.34 1.92 0.0 0.0 0
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396532 135028673 1 O5C14H22 A5B14C22 -238.23 2.95 -9.85 0.34 0
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396533 135028678 1 IO2H15C20 AB2C15D20 8.27 2.74 -8.83 -0.69 0
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396534 135028680 1 NO2C20H37 AB2C20D37 -128.86 1.95 -9.64 0.7 0
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396535 135028687 1 ClNO3C19H26 ABC3D19E26 -158.99 6.36 -9.46 -0.26 0
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396536 135028693 1 BrON2H17C21 ABC2D17E21 73.28 3.48 -8.82 -1.17 0
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396537 135028694 1 NSH19C21 ABC19D21 93.06 5.64 -8.32 -0.71 0
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396538 135028695 1 ClNOSC18H18 ABCDE18F18 28.61 4.52 -8.66 -0.45 0
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396539 135028698 1 NO4H21C22 AB4C21D22 -120.61 8.4 -8.15 -0.45 0
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396540 135028700 1 NO5H21C23 AB5C21D23 -141.09 8.38 -8.14 -0.52 0
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396541 135028703 1 OPSBr2H11C20 ABCD2E11F20 54.33 4.7 -8.9 -1.19 1
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396542 135028706 1 AuClPSH14C20 ABCDE14F20 100.51 12.04 0.0 0.0 0
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396543 135028707 1 OSiC20H36 ABC20D36 -125.1 1.72 -8.7 0.35 0
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396544 135028716 1 SO2H14C15 AB2C14D15 -42.52 2.86 -8.67 -1.07 0
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396545 135028721 1 BrNO4H18C22 ABC4D18E22 -93.01 6.89 -8.44 -1.17 0
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396546 135028722 1 NO2C11H11 AB2C11D11 -43.19 3.91 -9.92 -0.91 0
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396547 135028724 1 ON3H13C17 AB3C13D17 48.39 9.87 -8.85 -0.81 0
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396548 135028725 1 BrON2H9C14 ABC2D9E14 36.55 3.68 -8.56 -1.21 0
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396549 135028727 1 NO3C17H23 AB3C17D23 -115.82 2.04 -9.18 0.27 0
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396550 135028728 2 NO2C10H14 AB2C10D14 -161.06 2.89 -9.22 0.31 0
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396551 135028746 8 SiS2C7H13 AB2C7D13 -230.22 5.37 -7.69 0.23 2
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396552 135028747 1 Si2S5C26H28 A2B5C26D28 195.72 8.45 -7.64 -0.86 0
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396553 135028750 2 OH9C43 AB9C43 1834.99 4.31 -8.77 -2.88 0
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396554 135028753 1 ON4C21H24 AB4C21D24 6.61 4.36 -8.25 -0.55 3
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396555 135028754 1 RhP2C24H44 AB2C24D44 -58.33 11.92 0.0 0.0 0
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396556 135028760 2 SiO2C11H22 AB2C11D22 -298.46 2.51 -8.78 0.85 1
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396558 135028763 1 BrF2O3H7C11 AB2C3D7E11 -170.74 2.63 -9.78 -1.31 0
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396559 135028765 1 KSO4 ABC4 -152.93 10.31 0.0 0.0 0
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396560 135028769 1 NO3C20H21 AB3C20D21 -79.59 4.28 -8.3 -0.38 0
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396561 135028771 1 NO3C19H19 AB3C19D19 -71.18 3.98 -8.15 -0.59 0
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396562 135028773 2 OH10C11 AB10C11 -17.87 2.0 -8.9 -0.23 0
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396563 135028779 1 N2O5C14H16 A2B5C14D16 -158.46 2.76 -9.21 -1.41 0
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396564 135028781 1 O2H26C27 A2B26C27 -2.05 1.31 -9.21 -0.12 0
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396565 135028782 1 OSN3H7C10 ABC3D7E10 95.4 4.83 -9.04 -1.85 0
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396566 135028783 1 OSN3H11C16 ABC3D11E16 119.73 4.58 -8.46 -1.34 0
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396567 135028784 1 NO4C17H23 AB4C17D23 -179.79 3.75 -9.39 -0.57 0
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396568 135028785 1 NO3C22H27 AB3C22D27 -110.82 5.0 -9.32 -0.26 0
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396569 135028786 1 NOSH17C21 ABCD17E21 65.99 6.9 -8.62 -0.8 0
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396570 135028787 1 ON4C18H20 AB4C18D20 32.39 2.72 -8.76 -0.76 0
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396571 135028788 1 NO4C11H11 AB4C11D11 -36.38 3.96 -9.86 -0.78 0
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396572 135028789 1 NSnCl2O2H17C20 ABC2D2E17F20 -52.76 2.96 -8.51 -2.32 0
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396573 135028790 1 O3H14C20 A3B14C20 -13.67 3.22 -9.43 -1.19 1
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396574 135028791 1 N2C4H11 A2B4C11 32.51 2.18 0.0 0.0 0
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396576 135028793 1 NO2C19H23 AB2C19D23 -71.37 2.22 -8.17 0.13 0