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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39953 8143261 1 Cl2O2N3H15C19 A2B2C3D15E19 5.55 7.24 -9.12 -1.05 0
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39954 8143262 1 NO4C23H25 AB4C23D25 -104.16 2.22 -8.35 -1.2 0
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39955 8143263 1 SN3C17H17 AB3C17D17 87.28 5.11 -8.7 -1.05 0
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39956 8143268 1 SN2H16C21 AB2C16D21 110.77 1.0 -8.35 -0.73 1
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39957 8143275 1 SO2N4H19C22 AB2C4D19E22 60.84 4.98 0.0 0.0 0
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39958 8143276 1 SO2N4H18C22 AB2C4D18E22 45.78 10.09 -8.83 -1.07 1
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39959 8143277 1 SO2N4H19C22 AB2C4D19E22 67.39 6.63 0.0 0.0 0
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39960 8143278 1 SO2N4H18C22 AB2C4D18E22 47.13 7.66 -8.97 -0.91 1
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39961 8143279 1 NO2C19H38 AB2C19D38 -132.07 1.51 0.0 0.0 0
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39962 8143284 1 O2N3C23H25 A2B3C23D25 -0.2 8.91 -8.93 -0.88 1
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39963 8143286 1 NO2C17H28 AB2C17D28 -80.0 1.5 0.0 0.0 0
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39964 8143292 1 S2N5H15C17 A2B5C15D17 123.28 2.1 -9.04 -1.3 1
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39965 8143293 1 N3O4H22C23 A3B4C22D23 -35.08 11.13 0.0 0.0 1
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39966 8143295 1 N3O4H22C23 A3B4C22D23 -34.36 7.93 0.0 0.0 0
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39967 8143296 1 N3O4H21C23 A3B4C21D23 -54.47 9.0 -8.85 -0.81 1
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39968 8143301 1 BrO2N3H17C19 AB2C3D17E19 44.24 9.11 0.0 0.0 0
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39969 8143302 1 BrO2N3H16C19 AB2C3D16E19 26.22 8.01 -9.02 -0.95 0
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39970 8143307 1 NSO5H11C13 ABC5D11E13 -75.5 1.84 -9.19 -2.22 -1
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39971 8143308 1 N2O2H15C16 A2B2C15D16 39.74 5.08 0.0 0.0 0
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39972 8143311 1 O3N4C23H24 A3B4C23D24 -11.84 7.34 -8.94 -1.01 1
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39973 8143314 1 O3N4C22H23 A3B4C22D23 -11.77 5.79 0.0 0.0 0
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39974 8143321 1 N4O4H20C21 A4B4C20D21 -57.95 6.38 -8.76 -1.11 0
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39975 8143324 1 SCl2N2O3H16C18 AB2C2D3E16F18 -91.71 5.13 -9.0 -0.71 1
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39976 8143329 1 O2F3N3H17C20 A2B3C3D17E20 -122.21 10.0 0.0 0.0 0
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39977 8143332 1 O2N4C23H24 A2B4C23D24 19.58 7.48 -9.04 -0.96 2
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39978 8143337 1 O2N4C23H26 A2B4C23D26 96.02 11.89 -5.35 -0.51 0
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39979 8143338 1 O2N4C23H24 A2B4C23D24 15.4 9.33 -8.88 -0.95 0
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39980 8143340 1 FO2N6H11C18 AB2C6D11E18 62.71 7.78 -9.36 -1.34 1
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39981 8143344 1 O2N3C25H32 A2B3C25D32 -37.18 2.94 0.0 0.0 0
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39982 8143345 1 O2N3C25H31 A2B3C25D31 -60.38 0.87 -8.93 0.04 0
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39983 8143347 1 OSN4C21H26 ABC4D21E26 49.69 3.51 -8.26 -0.7 1
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39984 8143350 1 O2N3C23H28 A2B3C23D28 -22.03 3.06 0.0 0.0 0
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39985 8143351 1 O2N3C23H27 A2B3C23D27 -43.02 1.78 -8.86 -0.2 1
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39986 8143352 1 ClO2N3H17C19 AB2C3D17E19 26.36 8.98 0.0 0.0 0
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39987 8143353 1 ClO2N3H16C19 AB2C3D16E19 11.75 7.95 -9.18 -1.09 1
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39988 8143354 1 O2N3C23H28 A2B3C23D28 -20.78 2.7 0.0 0.0 1
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39989 8143356 1 ClO2N3H17C19 AB2C3D17E19 25.4 10.15 0.0 0.0 0
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39990 8143357 1 ClO2N3H16C19 AB2C3D16E19 10.68 9.18 -9.04 -0.98 1
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39991 8143358 1 SN3C16H24 AB3C16D24 41.04 4.71 0.0 0.0 1
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39992 8143360 1 SN3C16H24 AB3C16D24 42.44 4.68 0.0 0.0 1
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39993 8143362 1 OSN4C20H31 ABC4D20E31 15.15 5.12 0.0 0.0 0
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39994 8143363 1 OSN4C20H30 ABC4D20E30 -1.93 5.17 -8.07 -0.28 0
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39995 8143365 1 OSN4C20H30 ABC4D20E30 -2.44 4.9 -8.07 -0.27 0
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39996 8143371 1 N3O4C16H19 A3B4C16D19 -61.11 4.21 -9.04 -1.8 0
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39997 8143373 1 N3O4C16H19 A3B4C16D19 -60.54 4.23 -9.02 -1.8 1
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39998 8143376 1 SN5C21H26 AB5C21D26 114.44 9.66 0.0 0.0 1
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39999 8143378 1 FSN4C19H26 ABC4D19E26 47.69 9.99 0.0 0.0 1
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40000 8143386 1 F2N3O3C21H30 A2B3C3D21E30 -220.51 1.98 0.0 0.0 1
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40001 8143388 1 O2N3H20C23 A2B3C20D23 58.06 8.62 0.0 0.0 2
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40002 8143392 1 O2N4C25H30 A2B4C25D30 22.73 12.3 -6.88 -0.48 1