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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168915 75040873 1 N2O8C23H30 A2B8C23D30 -351.77 4.14 -9.29 0.1 0
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168916 75040874 2 N2O2C4H7 A2B2C4D7 -106.9 4.68 -9.77 0.12 0
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168917 75040875 1 N2O5H20C21 A2B5C20D21 -154.93 4.27 -9.07 -0.64 0
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168918 75040876 1 N5O8C24H41 A5B8C24D41 -408.28 7.64 -9.9 -0.14 0
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168919 75041281 4 NO10C17H22 AB10C17D22 -1748.33 6.28 -9.41 -0.66 0
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168920 75041282 1 NOC13H15 ABC13D15 39.8 1.33 -9.05 -0.11 0
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168921 75041283 1 NOH13C16 ABC13D16 82.99 1.28 -9.08 -0.1 0
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168922 75041284 1 NOH19C21 ABC19D21 98.54 1.1 -8.8 -0.3 1
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168923 75041410 1 P4N10O20C22H37 A4B10C20D22E37 -981.07 3.19 0.0 0.0 1
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168924 75041411 1 P4N10O20C22H33 A4B10C20D22E33 -885.41 25.67 0.0 0.0 0
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168925 75041412 1 P4N11O20C28H51 A4B11C20D28E51 -1017.8 15.92 -8.67 -0.73 1
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168926 75041568 1 P2N5C11O11H18 A2B5C11D11E18 -532.6 7.23 0.0 0.0 0
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168927 75041569 1 P3N6O13C17H33 A3B6C13D17E33 -680.01 11.8 -8.89 -0.98 0
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168928 75041570 1 P4N13O20C40H81 A4B13C20D40E81 -1072.02 22.05 -8.62 -1.05 0
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168929 75041636 1 ClSO5N6H27C36 ABC5D6E27F36 0.99 3.59 -9.01 -1.81 0
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168930 75041637 1 BrSO3N5H24C27 ABC3D5E24F27 19.02 4.62 -9.39 -1.61 0
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168931 75041638 1 BrSO3N5H24C27 ABC3D5E24F27 18.67 2.69 -9.33 -1.75 0
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168932 75041861 1 NO2C26H39 AB2C26D39 -101.87 4.06 -8.53 -0.73 0
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168933 75041928 1 F3O5N6C30H37 A3B5C6D30E37 -300.29 5.15 -9.49 -1.29 0
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168934 75042036 1 N2O2F3C28H33 A2B2C3D28E33 -207.3 5.64 -8.59 -0.9 0
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168935 75042607 1 ClSN4O4C30H45 ABC4D4E30F45 -210.04 2.31 -8.88 -0.29 0
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168936 75042608 1 SN4O4C30H44 AB4C4D30E44 -174.94 0.62 -8.48 -0.11 0
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168937 75043176 1 ClO2N8C24H35 AB2C8D24E35 -40.49 7.44 -8.65 -0.5 0
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168938 75043388 1 OF3N3C21H22 AB3C3D21E22 -126.69 4.78 -9.09 -1.14 0
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168939 75043483 1 OF2N3C29H33 AB2C3D29E33 -83.13 6.91 -8.96 -0.88 0
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168940 75043514 1 Cl2N3O3C31H41 A2B3C3D31E41 -123.81 7.09 -8.91 -0.98 0
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168941 75043515 1 Cl2O2N3C30H37 A2B2C3D30E37 -52.98 7.3 -8.55 -0.64 0
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168942 75044015 1 ClFN3O3C25H29 ABC3D3E25F29 -114.55 6.46 -8.8 -0.66 0
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168943 75044203 1 BrClN2O2C22H24 ABC2D2E22F24 -38.59 7.58 -8.63 -1.0 0
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168944 75044204 1 BrClN2O7C30H30 ABC2D7E30F30 -218.58 7.94 -8.58 -1.65 0
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168945 75044205 1 BrClN2O3C28H28 ABC2D3E28F28 -52.03 6.51 -8.72 -1.08 0
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168946 75044206 1 BrClN4O6C29H36 ABC4D6E29F36 -207.69 4.76 -8.21 -0.86 0
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168947 75044207 1 BrClO2N4C27H34 ABC2D4E27F34 -29.57 7.8 -8.45 -0.94 0
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168948 75044208 1 BrClN4O6C29H36 ABC4D6E29F36 -190.52 8.01 -8.52 -1.45 0
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168949 75044209 1 BrClO2N4C27H34 ABC2D4E27F34 -29.61 8.98 -8.39 -1.07 0
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168950 75045114 1 ClSN3O5C29H30 ABC3D5E29F30 -114.4 1.52 -8.63 -1.4 0
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168951 75045335 1 ON7C29H39 AB7C29D39 31.64 4.78 -8.41 -0.65 0
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168952 75045431 1 O3N7C22H31 A3B7C22D31 -93.2 6.62 -8.36 -0.57 0
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168953 75045432 1 ClNO3C29H40 ABC3D29E40 -166.9 4.12 -8.89 0.08 0
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168954 75045433 1 N3O3C35H53 A3B3C35D53 -161.64 6.59 -8.51 0.5 0
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168955 75045434 1 O3N4C38H52 A3B4C38D52 -119.05 7.11 -8.54 0.01 0
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168956 75045435 1 O3N5C37H51 A3B5C37D51 -105.03 4.99 -8.78 -0.49 0
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168957 75045928 1 ClN2O4C22H33 AB2C4D22E33 -130.02 0.88 -8.19 -0.16 0
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168958 75045929 1 ClN2O4H17C19 AB2C4D17E19 -117.65 8.94 -9.28 -0.92 0
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168959 75046045 1 OC28H34 AB28C34 168.87 3.2 -8.28 0.68 0
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168960 75046046 2 SN3O20C55H85 AB3C20D55E85 -1813.66 14.59 -8.62 -2.03 0
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168961 75046334 1 SO4N5H17C20 AB4C5D17E20 -8.74 7.11 -8.85 -1.5 0
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168962 75046353 1 ClO5N6C31H31 AB5C6D31E31 -79.88 4.83 -8.37 -0.99 0
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168963 75046493 1 INO3H12C16 ABC3D12E16 -35.94 4.88 -9.49 -1.87 0
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168964 75046758 1 NO6C26H37 AB6C26D37 -276.73 4.33 -9.17 -0.14 0
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168965 75046955 1 NaSeN2O2H4C6 ABC2D2E4F6 -62.2 7.89 0.0 0.0 0
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168966 75047401 1 ClON2C12H13 ABC2D12E13 -18.78 5.56 -8.46 -0.36 0
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168967 75047402 1 BrON2C12H13 ABC2D12E13 -6.96 5.65 -8.51 -0.4 0
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168968 75047403 1 ClO2N4H19C21 AB2C4D19E21 27.71 5.99 -8.13 -0.93 0
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168969 75047432 1 SO10N13C42H65 AB10C13D42E65 -438.32 11.82 -9.07 -0.36 0
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168970 75047617 1 SN4O4C7H14 AB4C4D7E14 -110.9 4.33 -9.75 -1.62 0
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168971 75047618 1 S2N3O5C6H11 A2B3C5D6E11 -162.04 5.98 -9.5 -1.37 0
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168972 75047619 1 SO2C5N6H8 AB2C5D6E8 47.11 6.63 -9.29 -1.15 0
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168973 75047620 1 SN2O4C6H10 AB2C4D6E10 -119.95 3.46 -9.73 -1.6 0
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168974 75047802 1 NO8C33H35 AB8C33D35 -212.38 0.78 -8.67 -0.13 0
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168975 75048027 1 FON3C18H22 ABC3D18E22 -22.13 4.74 -8.37 0.22 0
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168976 75048031 1 FSO2N6C23H27 ABC2D6E23F27 -25.63 11.49 -8.96 -0.9 0
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168977 75048323 1 SO4C14H18 AB4C14D18 -161.88 1.42 -9.06 -0.24 2
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168978 75048723 1 FeN2S2O8C40H44 AB2C2D8E40F44 -131.32 6.43 -8.48 -0.96 0
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168979 75049153 1 NaO5C27H33 AB5C27D33 -112.57 36.77 -7.85 -2.22 0
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168980 75049154 1 NO5C27H35 AB5C27D35 -196.02 2.9 -9.54 -0.45 0
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168981 75049155 1 NO5C28H37 AB5C28D37 -190.11 3.87 -9.49 -0.27 0
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168982 75049156 1 O3C20H28 A3B20C28 -31.07 4.3 -9.49 0.18 0
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168983 75049157 1 O15C26H32 A15B26C32 -613.53 6.32 -9.14 -1.3 0
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168984 75049666 2 SO9N12C36H53 AB9C12D36E53 -703.41 4.72 -8.7 -0.69 0
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168985 75049713 1 ClO3N6C19H23 AB3C6D19E23 -73.62 7.63 -8.79 -1.01 0
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168986 75050322 1 BrFN5O5H25C26 ABC5D5E25F26 -172.42 4.38 -8.57 -0.97 0
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168987 75050583 1 SN29O29C92H151 AB29C29D92E151 -1365.29 8.41 -8.76 -0.46 0
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168988 75050852 1 N9O12C50H55 A9B12C50D55 -350.99 4.76 -8.57 -0.7 0
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168989 75050991 2 O2C13H16 A2B13C16 -138.25 4.36 -8.43 -0.53 0
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168990 75051704 1 ClNO4H6C10 ABC4D6E10 -76.45 4.35 -10.11 -1.67 0
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168991 75051853 1 N2O7C38H44 A2B7C38D44 -187.61 6.51 -8.31 -0.06 0
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168992 75051942 1 O14C37H48 A14B37C48 -614.26 6.88 -9.57 -0.66 1
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168993 75052831 1 N3C27H46 A3B27C46 -48.28 2.03 0.0 0.0 0
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168994 75053211 1 N3F5O5H30C31 A3B5C5D30E31 -397.01 8.09 -9.35 -1.23 0
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168995 75053226 1 O7N9C39H59 A7B9C39D59 -315.17 5.58 -9.43 0.0 0
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168996 75053227 1 O7N10C39H56 A7B10C39D56 -267.35 9.39 -9.27 -1.03 0
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168997 75053736 1 ClOSN3H14C18 ABCD3E14F18 80.4 2.2 -8.74 -0.99 0
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168998 75054077 1 FS2N3O3C23H26 AB2C3D3E23F26 -127.38 7.29 -9.13 -0.95 0
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168999 75054173 1 NOC19H27 ABC19D27 -46.04 3.81 -8.49 0.38 0
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169000 75054343 1 N3O3C16H19 A3B3C16D19 -9.03 8.54 -9.58 -1.24 0
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169001 75054344 1 N3O3C16H19 A3B3C16D19 -6.3 5.44 -9.37 -1.29 0
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169002 75054345 1 F3N3O3C17H18 A3B3C3D17E18 -168.56 4.86 -9.51 -1.67 0
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169003 75054346 1 NaPN3O7C29H55 ABC3D7E29F55 -380.41 106.71 -6.91 -2.79 0
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169004 75054347 1 PN3O7C29H56 AB3C7D29E56 -424.89 9.98 -9.44 -0.82 0
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169005 75054348 1 FO2C20H23 AB2C20D23 -96.82 3.65 -9.65 -0.87 0
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169006 75054349 1 FO2C20H23 AB2C20D23 -98.15 0.58 -9.64 -0.91 0
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169007 75054350 1 FO2C20H23 AB2C20D23 -91.74 1.98 -9.6 -0.88 0
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169008 75054351 1 O2F4C21H22 A2B4C21D22 -258.32 2.5 -9.76 -1.27 0
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169009 75054352 1 O2F4C21H22 A2B4C21D22 -259.0 2.18 -9.8 -1.33 0
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169010 75054353 1 BrN3O6C18H18 AB3C6D18E18 -154.75 5.6 -9.13 -2.16 1
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169011 75054354 3 NO2C6H6 AB2C6D6 -146.48 5.02 0.0 0.0 0
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169012 75054355 1 BrN3O6C18H18 AB3C6D18E18 -102.22 16.78 -7.56 -3.38 1
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169013 75054356 3 NO2C6H6 AB2C6D6 -148.51 6.3 0.0 0.0 0
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169014 75054357 1 BrClN3O5H17C18 ABC3D5E17F18 -131.62 4.96 -9.54 -1.96 1