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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405368 135073695 1 N2O3C19H24 A2B3C19D24 -67.35 1.2 -8.71 0.03 0
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405369 135073696 1 O8C19H24 A8B19C24 -320.62 3.03 -9.12 -0.07 0
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405370 135073697 2 O4C12H13 A4B12C13 -283.3 3.56 -9.07 -0.14 0
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405371 135073699 1 O5C18H24 A5B18C24 -210.58 3.9 -9.56 0.2 0
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405372 135073700 1 BrFNOC10H11 ABCDE10F11 -47.73 2.97 -8.67 -0.34 0
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405373 135073701 1 N2O3C18H22 A2B3C18D22 -54.7 3.59 -8.48 -0.06 0
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405374 135073702 1 N2O3C23H26 A2B3C23D26 -53.77 3.5 -8.24 0.11 0
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405375 135073704 1 ClNO5C15H18 ABC5D15E18 -190.92 1.4 -10.31 -0.65 0
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405376 135073705 1 NO4C14H17 AB4C14D17 -131.5 2.81 -9.92 -0.31 0
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405377 135073706 1 O3C19H20 A3B19C20 -70.29 4.03 -9.55 -0.08 0
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405378 135073707 1 BrFOH14C16 ABCD14E16 -43.68 2.11 -9.64 -1.1 0
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405379 135073709 1 NSO3H21C27 ABC3D21E27 41.04 6.61 -8.95 -1.29 0
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405380 135073710 1 N3O4H17C20 A3B4C17D20 -70.0 10.07 -9.97 -1.58 0
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405381 135073711 1 BrNSO6H24C28 ABCD6E24F28 -100.54 7.53 -9.5 -0.82 0
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405382 135073713 1 BO2C21H27 AB2C21D27 -142.99 3.36 -8.98 0.57 0
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405383 135073714 1 ClOSiZnC22H23 ABCDE22F23 62.63 12.89 -5.76 -2.2 0
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405384 135073717 1 NOCl2H9C11 ABC2D9E11 18.9 5.12 -9.26 -0.26 0
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405385 135073720 1 NO50C62H103 AB50C62D103 -2221.02 4.38 -10.06 0.14 0
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405386 135073721 1 NO13C18H25 AB13C18D25 -462.0 8.81 -9.9 -1.16 0
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405387 135073722 2 N2O3C5H9 A2B3C5D9 -210.14 5.85 -9.9 -0.04 0
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405388 135073723 1 O17H28C32 A17B28C32 -628.21 2.94 -9.75 -1.17 0
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405389 135073725 2 O3C6H7 A3B6C7 -223.86 1.16 -9.62 -0.06 0
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405390 135073727 1 O5H14C17 A5B14C17 -81.96 2.19 -8.85 -0.54 0
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405391 135073728 1 ClN3O3H12C14 AB3C3D12E14 -26.51 3.19 -9.21 -0.7 0
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405392 135073729 1 ClSO2N3H16C21 ABC2D3E16F21 53.12 3.84 -9.09 -1.12 0
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405393 135073730 1 NSO5C22H27 ABC5D22E27 -139.95 5.32 -9.12 -0.78 0
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405394 135073731 1 NPO5C11H16 ABC5D11E16 -243.62 4.11 -8.85 -0.38 0
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405395 135073732 1 PO2C15H21 AB2C15D21 -115.2 3.78 -8.73 -0.16 0
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405396 135073738 1 BrNOH22C23 ABCD22E23 23.05 3.53 -9.16 -0.12 0
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405397 135073741 1 NO2C18H19 AB2C18D19 -36.0 2.68 -8.91 -0.37 0
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405398 135073762 1 BrNSSiO2F3C14H19 ABCDE2F3G14H19 -221.88 5.47 -9.6 -1.0 0
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405399 135073766 1 NSO2H21C24 ABC2D21E24 -5.73 5.73 -8.52 -0.53 0
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405400 135073773 1 NSO2F6H9C10 ABC2D6E9F10 -371.23 5.56 -10.32 -1.07 0
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405401 135073791 1 NSO3H13C14 ABC3D13E14 -54.7 2.97 -8.75 -0.86 0
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405402 135073813 1 NO2F5H12C22 AB2C5D12E22 -156.24 3.63 -9.26 -1.8 0
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405403 135073827 1 OSiC19H26 ABC19D26 6.96 2.25 -9.2 -0.16 0
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405404 135073844 1 NO3C15H17 AB3C15D17 -93.36 5.76 -8.94 -0.51 0
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405405 135073846 1 NSO3H17C18 ABC3D17E18 -31.69 4.17 -8.59 -0.81 0
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405406 135073847 1 ON3H17C18 AB3C17D18 74.55 4.95 -8.96 -0.46 0
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405407 135073848 1 ClON3H14C17 ABC3D14E17 74.49 4.28 -9.28 -0.66 0
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405408 135073849 1 N3O5H25C27 A3B5C25D27 -129.58 4.62 -9.72 -1.74 0
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405409 135073851 1 NO5C14H15 AB5C14D15 -171.96 4.61 -9.83 -0.99 0
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405410 135073852 1 O4C13H16 A4B13C16 -153.36 2.79 -9.14 -0.42 0
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405411 135073853 2 O2C3N3H5 A2B3C3D5 -38.64 5.73 -10.05 -0.19 0
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405412 135073855 1 BrSO2C19H27 ABC2D19E27 -90.35 3.27 -8.56 -0.37 0
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405413 135073856 1 O2N3C25H33 A2B3C25D33 -27.63 7.02 -7.54 -0.25 1
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405414 135073857 1 O2N3C25H34 A2B3C25D34 -21.68 2.76 0.0 0.0 0
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405415 135073858 1 IOH19C25 ABC19D25 81.48 2.9 -8.57 -0.67 0
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405416 135073860 1 ClIOH6C7 ABCD6E7 -20.81 2.28 -9.11 -0.99 0
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405417 135073861 1 SP3N8O17C30H45 AB3C8D17E30F45 -877.28 13.31 -9.05 -0.54 0