List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
134011 51625016 1 O2N3C24H34 A2B3C24D34 -42.8 4.47 0.0 0.0 1
134012 51625050 1 O2N4C19H27 A2B4C19D27 -43.44 5.39 0.0 0.0 1
134013 51625638 1 O2N6C26H37 A2B6C26D37 50.82 4.54 0.0 0.0 1
134014 51625731 1 ON7C26H36 AB7C26D36 100.25 4.96 0.0 0.0 0
134015 51625732 1 ON7C26H35 AB7C26D35 78.74 8.4 -8.29 -0.09 1
134016 51625892 1 FN6C26H28 AB6C26D28 112.57 3.81 0.0 0.0 0
134017 51625893 1 FN6C26H27 AB6C26D27 110.65 5.91 -8.7 -0.65 1
134018 51625894 1 FN6C26H28 AB6C26D28 129.98 8.81 0.0 0.0 0
134019 51625895 1 FN6C26H27 AB6C26D27 113.94 6.99 -8.93 -0.86 0
134020 51625997 2 ON3C14H16 AB3C14D16 79.17 5.54 -8.88 -0.27 1
134021 51626078 1 O4N6C24H31 A4B6C24D31 16.69 7.47 0.0 0.0 1
134022 51626415 1 N4O4C19H27 A4B4C19D27 -59.95 5.63 0.0 0.0 0
134023 51626425 2 NOC11H18 ABC11D18 -94.17 2.82 -8.72 0.32 1
134024 51626970 1 O2N4C21H33 A2B4C21D33 -63.49 4.83 0.0 0.0 0
134025 51626971 1 O2N4C21H32 A2B4C21D32 -78.25 10.1 -8.42 0.41 1
134026 51626972 1 ClO2F3N4C22H31 AB2C3D4E22F31 -239.32 7.9 0.0 0.0 0
134027 51626973 1 ClO2F3N4C22H30 AB2C3D4E22F30 -261.49 7.95 -9.13 -0.91 1
134028 51626974 1 ClO2F3N4C22H31 AB2C3D4E22F31 -242.94 9.55 0.0 0.0 1
134029 51627657 1 Br2O2N3C18H22 A2B2C3D18E22 -15.06 4.94 0.0 0.0 0
134030 51627790 1 N2O2C23H32 A2B2C23D32 -42.77 1.65 -8.18 0.22 1
134031 51627791 1 N2O2C23H33 A2B2C23D33 -30.8 5.02 0.0 0.0 0
134032 51627884 1 ClON2C21H27 ABC2D21E27 -9.34 1.86 -8.69 -0.14 0
134033 51627912 1 N2C13H20 A2B13C20 16.91 0.76 -8.7 0.58 0
134034 51628515 1 BrN2O2C22H29 AB2C2D22E29 -32.23 1.48 -8.59 -0.15 0
134035 51628598 3 NOC8H11 ABC8D11 -84.09 3.83 -8.57 -0.27 2
134036 51628599 1 ON4C18H26 AB4C18D26 33.43 4.43 -8.85 -0.61 0
134037 51628600 1 ON4C18H24 AB4C18D24 28.4 1.98 -8.76 -0.52 2
134038 51628601 1 ON4C18H26 AB4C18D26 30.28 1.98 -8.65 -0.63 1
134039 51629391 1 N3O4C20H26 A3B4C20D26 -100.84 3.47 0.0 0.0 1
134040 51629392 1 OSN4C20H27 ABC4D20E27 26.91 4.24 0.0 0.0 1
134041 51629393 1 ON4C18H23 AB4C18D23 36.28 5.39 0.0 0.0 0
134042 51629459 1 ClNO3C19H20 ABC3D19E20 -109.87 2.87 -9.24 -0.47 0
134043 51630421 1 S2N3O4H19C20 A2B3C4D19E20 -10.82 3.31 -8.55 -1.79 0
134044 51630448 1 ClO3N5C25H32 AB3C5D25E32 -115.16 6.18 -9.24 -1.44 1
134045 51630740 1 SO3N4C20H33 AB3C4D20E33 -94.91 5.45 0.0 0.0 0
134046 51631279 1 O3N5C23H31 A3B5C23D31 -65.13 5.75 -8.63 -0.25 -1
134047 51631319 1 BrN2O4H16C24 AB2C4D16E24 16.5 3.04 0.0 0.0 0
134048 51631576 1 N5C20H29 A5B20C29 76.02 3.61 -8.38 -0.08 1
134049 51632319 1 OSN3C19H26 ABC3D19E26 17.35 3.48 0.0 0.0 0
134050 51633273 1 O2N5C23H39 A2B5C23D39 -82.72 5.94 -8.49 0.34 1
134051 51633282 1 O2N5C23H38 A2B5C23D38 -27.39 4.24 0.0 0.0 1
134052 51633296 1 O2N5C26H44 A2B5C26D44 -50.96 4.45 0.0 0.0 0
134053 51633586 1 ON4C21H30 AB4C21D30 11.55 2.07 -8.69 -0.09 1
134054 51634001 1 N3O3C23H40 A3B3C23D40 -89.22 2.39 0.0 0.0 0
134055 51634002 1 N3O3C23H39 A3B3C23D39 -108.46 5.19 -8.25 0.24 0
134056 51634024 1 FON2C17H25 ABC2D17E25 -71.35 3.23 -8.47 0.28 1
134057 51634832 1 OF2N3C18H28 AB2C3D18E28 -115.57 3.73 0.0 0.0 2
134058 51635259 1 O3N5C23H39 A3B5C23D39 -43.34 19.09 -6.55 -0.76 1
134059 51635403 1 ClO2N3C24H29 AB2C3D24E29 -2.6 7.11 0.0 0.0 1
134060 51635437 1 O3N4C24H39 A3B4C24D39 -81.31 5.12 0.0 0.0 1
134061 51635676 1 N5C23H30 A5B23C30 122.85 2.54 0.0 0.0 1
134062 51635706 1 N2O4C25H37 A2B4C25D37 -105.78 5.64 0.0 0.0 1
134063 51636137 1 N3O4C18H30 A3B4C18D30 -138.78 4.83 0.0 0.0 1
134064 51636176 1 N2O3C21H35 A2B3C21D35 -101.65 1.94 0.0 0.0 0
134065 51636177 1 N2O3C21H34 A2B3C21D34 -128.44 6.19 -8.54 0.11 0
134066 51636267 1 SO2N4C22H34 AB2C4D22E34 -56.71 4.22 -8.7 0.22 0
134067 51636323 1 N3O4C22H37 A3B4C22D37 -159.46 3.01 -8.35 0.24 2
134068 51636324 1 N3O4C22H39 A3B4C22D39 -168.94 0.87 -8.54 0.08 2
134069 51636403 1 F3N3C19H32 A3B3C19D32 -121.08 14.0 -6.41 -0.35 0
134070 51636484 1 FN2O3C24H33 AB2C3D24E33 -123.2 3.83 -8.07 0.2 1
134071 51636717 1 N3O5C19H28 A3B5C19D28 -92.8 6.01 0.0 0.0 0
134072 51636919 2 NO2C13H13 AB2C13D13 -90.9 2.9 -8.71 -1.36 0
134073 51636928 1 N4O7C21H22 A4B7C21D22 -158.99 5.25 -8.49 -1.76 0
134074 51636929 1 N4O7C21H22 A4B7C21D22 -156.73 8.29 -8.62 -1.52 0
134075 51637066 1 SO3N4C23H26 AB3C4D23E26 -90.48 5.2 -9.19 -0.98 0
134076 51637293 1 BrNO4C18H18 ABC4D18E18 -104.93 3.05 -8.76 -0.28 0
134077 51637626 1 N2C23H26 A2B23C26 59.75 1.18 -8.15 -0.84 0
134078 51638165 1 NOC11H13 ABC11D13 -30.84 4.67 -9.58 0.18 0
134079 51638166 1 N2F3O4C19H21 A2B3C4D19E21 -320.3 5.23 -9.34 -0.31 0
134080 51638167 1 O2S3N4C22H26 A2B3C4D22E26 -5.75 4.52 -8.61 -1.06 0
134081 51638168 1 O2S3N4C22H26 A2B3C4D22E26 -5.72 4.45 -8.61 -1.05 0
134082 51638601 1 FSN3O5C21H28 ABC3D5E21F28 -275.97 8.93 -8.67 -0.35 0
134083 51639711 2 NOC8H10 ABC8D10 -44.51 3.97 -9.49 -0.68 0
134084 51639712 1 BrN2O2C12H15 AB2C2D12E15 -72.63 3.95 -9.82 -0.74 -1
134085 51639713 1 BrSN2O3H18C21 ABC2D3E18F21 -15.77 5.74 0.0 0.0 1
134086 51639714 1 O2N5C15H24 A2B5C15D24 -60.56 3.89 0.0 0.0 0
134087 51640545 1 N2O3C22H28 A2B3C22D28 -89.42 4.27 -8.65 -0.39 0
134088 51640796 1 OBr2N2C15H20 AB2C2D15E20 -37.42 3.5 -9.03 -0.63 0
134089 51640963 1 ClFO2N5C24H29 ABC2D5E24F29 -81.79 3.59 -8.33 -0.98 1
134090 51642140 1 ClFSO2N3H20C22 ABCD2E3F20G22 -28.76 7.46 0.0 0.0 0
134091 51642509 1 OSF3N5C17H20 ABC3D5E17F20 -128.49 6.19 -9.3 -0.97 0
134092 51642510 1 S2N3O4C23H27 A2B3C4D23E27 -67.92 8.4 -9.05 -0.86 0
134093 51642531 1 S2N3O5C23H31 A2B3C5D23E31 -162.39 6.17 -8.58 -1.3 2
134094 51642910 1 O3N4C28H36 A3B4C28D36 -10.15 18.2 -6.31 -1.73 1
134095 51643048 1 ClSO2N5C24H29 ABC2D5E24F29 12.04 7.49 0.0 0.0 0
134096 51643559 1 ClOS2N5C22H24 ABC2D5E22F24 51.1 2.59 -8.65 -1.17 0
134097 51643659 1 N2O5C23H26 A2B5C23D26 -120.54 5.77 -8.93 -1.29 0
134098 51643789 1 S2N3O4C23H31 A2B3C4D23E31 -126.26 3.94 -8.99 -0.65 0
134099 51644054 1 SN3O3C20H29 AB3C3D20E29 -111.67 12.44 -9.72 -1.01 0
134100 51644055 1 SN3O3C20H29 AB3C3D20E29 -112.43 7.59 -9.75 -1.15 0
134101 51644056 1 SN3O3C20H29 AB3C3D20E29 -114.43 6.33 -9.64 -1.23 0
134102 51644151 1 F2N2S2O3C22H24 A2B2C2D3E22F24 -182.78 4.33 -8.81 -1.02 0
134103 51644436 1 FO4N5H20C23 AB4C5D20E23 -83.16 7.07 -9.62 -1.04 0
134104 51644536 1 FNSO3H18C19 ABCD3E18F19 -80.3 2.9 -9.19 -0.63 0
134105 51644582 1 ON5C23H37 AB5C23D37 -13.35 5.47 -8.8 -0.14 1
134106 51644583 1 ON5C23H38 AB5C23D38 8.46 7.31 0.0 0.0 0
134107 51644584 1 ON5C23H37 AB5C23D37 -15.87 6.27 -8.92 0.02 0
134108 51644614 1 N4O5C26H28 A4B5C26D28 -148.26 1.78 -8.77 -0.76 -3
134109 51644615 1 S2N6O12C20H29 A2B6C12D20E29 -479.07 6.61 0.0 0.0 0
134110 51644918 1 NSO6C23H31 ABC6D23E31 -240.71 9.3 -9.02 -0.87 0