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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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144961 53439873 1 NOCl2H5C9 ABC2D5E9 -6.57 1.26 -9.1 -1.22 0
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144962 53439874 2 ClNOH2C4 ABCD2E4 6.94 5.4 -9.34 -2.17 0
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144963 53440101 1 ON2C15H16 AB2C15D16 18.49 2.86 -8.47 -1.45 0
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144964 53440677 1 SO2C12H12 AB2C12D12 -45.39 5.55 -8.28 -0.5 0
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144965 53440930 1 NSO3C11H13 ABC3D11E13 -105.95 3.6 -9.53 -0.67 0
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144966 53441410 1 ClO3C12H15 AB3C12D15 -113.63 3.68 -9.41 -0.52 -1
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144967 53441501 1 SO3H5F8C13 AB3C5D8E13 -415.48 2.37 0.0 0.0 0
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144968 53441994 1 OF2N2H10C14 AB2C2D10E14 -77.98 8.05 -9.77 -1.54 0
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144969 53442008 1 INOSC15H20 ABCDE15F20 -4.68 15.17 -6.88 -2.26 0
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144970 53442488 1 N3O5C19H29 A3B5C19D29 -165.44 4.87 -8.67 -0.71 0
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144971 53442489 1 N3O4C28H41 A3B4C28D41 -221.38 6.29 -9.01 0.11 0
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144972 53442490 2 NO2C16H23 AB2C16D23 -243.2 0.63 -9.95 0.18 0
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144973 53442491 2 N2O2C17H26 A2B2C17D26 -231.82 5.82 -8.14 0.13 0
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144974 53442492 2 NO2C16H24 AB2C16D24 -258.82 5.43 -9.93 0.19 -1
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144975 53442912 1 O3C20H21 A3B20C21 -88.16 2.55 0.0 0.0 0
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144976 53442984 1 O2F5C15H17 A2B5C15D17 -340.77 2.64 -10.62 -1.2 0
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144977 53443050 1 TlF3 AB3 -53.13 5.4 -12.36 -3.43 0
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144978 53443412 1 ClNOC16H20 ABCD16E20 -41.71 3.59 -8.15 0.26 -1
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144979 53443694 1 F2O4C5H5 A2B4C5D5 -243.13 1.72 0.0 0.0 0
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144980 53444393 1 OCl2N2C13H18 AB2C2D13E18 -66.68 5.1 -9.61 -0.49 0
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144981 53444821 1 ClFSO2N3C10H11 ABCD2E3F10G11 -108.2 3.15 -9.23 -0.69 0
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144982 53445467 1 NSO2H9C11 ABC2D9E11 -27.58 4.12 -9.24 -1.07 0
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144983 53445562 1 FOSH9C11 ABCD9E11 -47.12 1.63 -8.94 -0.44 0
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144984 53445563 1 FSO2H9C12 ABC2D9E12 -87.86 6.59 -9.27 -1.26 0
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144985 53445564 1 FOSH9C11 ABCD9E11 -47.7 1.65 -8.83 -0.65 0
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144986 53445594 1 OSN2H8C9 ABC2D8E9 9.72 5.83 -9.21 -0.92 0
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144987 53445595 1 NSO3H9C11 ABC3D9E11 -82.87 5.99 -9.37 -1.29 0
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144988 53445596 1 NSO3H9C11 ABC3D9E11 -89.9 7.83 -9.3 -1.58 0
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144989 53445597 1 NOSH9C10 ABCD9E10 -3.81 4.63 -8.86 -0.72 0
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144990 53445598 1 OSN2H8C9 ABC2D8E9 9.51 6.54 -9.06 -1.04 0
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144991 53445599 1 NOSH9C10 ABCD9E10 -5.05 4.49 -9.05 -0.73 0
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144992 53445607 1 SO3H12C13 AB3C12D13 -84.66 7.71 -9.26 -1.06 0
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144993 53446308 1 O8C13H24 A8B13C24 -356.28 7.74 -10.72 -0.71 0
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144994 53446309 1 O8C41H80 A8B41C80 -498.63 2.82 -9.5 0.63 0
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144995 53446394 2 FNO2C5H6 ABC2D5E6 -244.32 5.93 -10.06 -0.64 0
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144996 53447081 1 ClO2N6C25H25 AB2C6D25E25 78.7 1.01 -8.38 -1.35 0
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144997 53447082 1 ClIN4O4H20C22 ABC4D4E20F22 25.5 7.46 -7.35 -1.62 0
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144998 53447187 1 ClC19H23 AB19C23 -4.89 2.93 -8.99 0.25 0
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144999 53447280 1 ON4C13H18 AB4C13D18 31.53 1.54 -8.73 -0.87 0
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145000 53447485 1 ClO2N4C19H21 AB2C4D19E21 -2.71 4.41 -8.85 -0.26 0
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145001 53447486 2 ClON2H10C11 ABC2D10E11 27.35 5.63 -8.7 -0.78 0
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145002 53447487 1 BrO2N4C19H21 AB2C4D19E21 21.37 4.06 -8.81 -0.5 0
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145003 53447488 1 O4N5H21C22 A4B5C21D22 36.58 7.93 -8.9 -1.27 0
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145004 53447489 1 O3N4C21H26 A3B4C21D26 -38.88 3.52 -8.75 -0.01 0
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145005 53447892 1 N4O5C23H30 A4B5C23D30 -107.57 4.6 -8.06 -0.46 0
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145006 53447893 1 ClON4H19C21 ABC4D19E21 70.56 8.62 -8.85 -0.91 0
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145007 53447894 1 OCl2N4H16C17 AB2C4D16E17 41.77 4.04 -8.84 -1.22 0
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145008 53448001 1 Cl2N3O3C15H17 A2B3C3D15E17 -102.65 3.33 -9.05 -1.11 0
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145009 53448002 1 SO2N4C19H20 AB2C4D19E20 36.57 3.95 -8.8 -0.16 0
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145010 53448003 1 ClO2N3H22C24 AB2C3D22E24 13.95 7.66 -8.68 -0.3 0