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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
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40003 8143394 1 SN4C19H27 AB4C19D27 90.84 5.74 0.0 0.0 0
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40004 8143395 1 SN4C19H26 AB4C19D26 71.49 3.69 -8.19 -0.31 1
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40005 8143396 1 SN4C19H27 AB4C19D27 91.52 5.37 0.0 0.0 1
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40006 8143398 1 FSN4C17H24 ABC4D17E24 24.49 5.57 0.0 0.0 0
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40007 8143399 1 FSN4C17H23 ABC4D17E23 7.12 5.02 -8.17 -0.76 2
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40008 8143400 1 ClSO2N4C20H21 ABC2D4E20F21 108.31 14.58 -5.37 -1.09 1
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40009 8143406 1 SO2N4C19H29 AB2C4D19E29 -2.23 3.88 0.0 0.0 1
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40010 8143408 1 SN5C22H28 AB5C22D28 107.15 5.15 0.0 0.0 0
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40011 8143411 1 SN5C22H27 AB5C22D27 89.96 2.03 -8.36 -0.78 1
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40012 8143417 1 ClOSN4C17H24 ABCD4E17F24 26.46 18.03 0.0 0.0 1
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40013 8143419 1 ClOSN4C17H24 ABCD4E17F24 25.13 15.95 0.0 0.0 1
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40014 8143421 1 BrSN4C16H22 ABC4D16E22 64.25 12.99 0.0 0.0 0
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40015 8143424 1 BrSN4C16H21 ABC4D16E21 67.15 8.47 -8.16 -1.29 0
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40016 8143426 1 SN4C16H22 AB4C16D22 69.3 8.5 -8.27 -1.24 1
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40017 8143427 1 SN4C16H23 AB4C16D23 72.7 13.13 0.0 0.0 0
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40018 8143428 1 SN4C16H22 AB4C16D22 71.0 8.32 -8.21 -1.16 1
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40019 8143429 1 O3N4C23H25 A3B4C23D25 -25.47 9.03 0.0 0.0 0
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40020 8143430 1 O3N4C23H24 A3B4C23D24 -44.82 10.32 -8.74 -0.69 1
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40021 8143431 1 ON4C15H21 AB4C15D21 22.55 12.77 0.0 0.0 1
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40022 8143435 1 OSN4C18H27 ABC4D18E27 31.04 5.51 0.0 0.0 0
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40023 8143436 1 OSN4C18H26 ABC4D18E26 14.42 5.86 -7.97 -0.49 1
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40024 8143437 1 OSN4C18H27 ABC4D18E27 32.76 4.94 0.0 0.0 0
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40025 8143438 1 OSN4C18H26 ABC4D18E26 13.88 5.26 -7.97 -0.51 1
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40026 8143439 1 OSN4C18H27 ABC4D18E27 29.94 5.19 0.0 0.0 0
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40027 8143442 1 OSN4C18H26 ABC4D18E26 8.28 6.78 -8.17 -0.49 0
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40028 8143444 1 OSN4C19H28 ABC4D19E28 4.32 4.53 -8.1 -0.41 1
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40029 8143447 1 SN4C18H27 AB4C18D27 68.69 6.74 0.0 0.0 1
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40030 8143449 1 SN4C18H27 AB4C18D27 62.61 5.07 0.0 0.0 0
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40031 8143450 1 SN4C18H26 AB4C18D26 45.25 4.29 -8.09 -0.44 1
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40032 8143451 3 NOC6H8 ABC6D8 -91.43 11.27 0.0 0.0 1
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40033 8143457 1 ClSN4C17H24 ABC4D17E24 72.76 10.35 0.0 0.0 0
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40034 8143458 1 ClSN4C17H23 ABC4D17E23 45.62 4.39 -8.18 -0.81 0
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40035 8143460 1 SN4C18H26 AB4C18D26 39.85 3.66 -8.16 -0.23 1
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40036 8143461 1 SN4C18H27 AB4C18D27 58.77 4.51 0.0 0.0 1
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40037 8143465 1 SN3O3C18H26 AB3C3D18E26 -52.03 9.64 0.0 0.0 0
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40038 8143468 1 SN3O3C18H25 AB3C3D18E25 -64.86 3.12 -8.68 -0.84 1
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40039 8143471 1 OSN5C22H32 ABC5D22E32 17.97 13.24 0.0 0.0 0
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40040 8143472 1 OSN5C22H31 ABC5D22E31 3.11 2.33 -8.43 -1.05 0
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40041 8143474 1 OSN5C22H31 ABC5D22E31 2.34 2.95 -8.45 -1.06 0
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40042 8143476 1 SN4C18H26 AB4C18D26 41.04 3.53 -8.17 -0.13 0
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40043 8143478 1 NF4O4H5C10 AB4C4D5E10 -295.06 2.36 -10.33 -2.1 0
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40044 8143480 1 SN4C18H26 AB4C18D26 41.49 4.08 -8.14 -0.1 1
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40045 8143481 1 N2O4C18H23 A2B4C18D23 -111.56 14.15 0.0 0.0 0
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40046 8143482 2 NO2C9H11 AB2C9D11 -124.6 6.95 -8.69 -1.19 1
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40047 8143484 1 N2O4C18H23 A2B4C18D23 -116.96 8.75 0.0 0.0 1
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40048 8143486 1 SO2N5C22H24 AB2C5D22E24 53.94 12.34 0.0 0.0 0
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40049 8143487 1 SO2N5C22H23 AB2C5D22E23 30.67 3.93 -8.32 -0.93 1
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40050 8143488 1 ClSN4C13H16 ABC4D13E16 87.02 5.24 0.0 0.0 1
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40051 8143490 1 SN4C15H21 AB4C15D21 78.2 4.03 0.0 0.0 0
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40052 8143493 1 OSN4C14H18 ABC4D14E18 37.72 2.41 -8.3 -0.45 1