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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141313 52858873 1 O3N4C17H26 A3B4C17D26 -113.74 6.65 -8.79 -0.13 1
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141314 52858927 1 N2O2C20H25 A2B2C20D25 -35.46 6.31 0.0 0.0 0
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141315 52859161 1 ClOBr2N2H15C16 ABC2D2E15F16 -3.9 4.57 -9.4 -1.43 0
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141316 52859475 1 O3N4C21H24 A3B4C21D24 -43.04 4.76 -8.87 -1.13 0
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141317 52859603 1 N2O2C21H26 A2B2C21D26 -60.13 2.12 -8.87 -0.12 1
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141318 52859604 1 N2O2C21H27 A2B2C21D27 -46.43 4.44 0.0 0.0 0
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141319 52859915 1 SN2O4C21H26 AB2C4D21E26 -138.51 8.7 -8.97 -0.47 1
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141320 52860073 1 BrON2C18H26 ABC2D18E26 -6.66 17.59 0.0 0.0 0
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141321 52860527 1 BrFSO4H14C16 ABCD4E14F16 -158.37 4.45 -9.85 -0.93 0
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141322 52860625 1 O3N6C25H26 A3B6C25D26 -10.75 2.8 -9.11 -0.78 0
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141323 52860626 1 O3N6C25H26 A3B6C25D26 -10.14 4.32 -9.08 -0.88 0
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141324 52860627 1 ON6C18H22 AB6C18D22 70.15 5.31 -9.02 -0.55 0
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141325 52860628 1 ON6C18H22 AB6C18D22 69.5 3.76 -8.94 -0.47 0
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141326 52861243 1 SN5O5C21H21 AB5C5D21E21 -90.2 4.25 -9.39 -1.21 0
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141327 52861477 1 O2N3C24H33 A2B3C24D33 -99.15 4.95 -8.13 -0.07 0
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141328 52861486 1 N3O6C24H29 A3B6C24D29 -142.39 8.68 -9.39 -1.28 0
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141329 52861600 1 N4O4C23H30 A4B4C23D30 -134.04 2.89 -8.7 -0.6 1
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141330 52861831 1 O4N5C21H38 A4B5C21D38 -160.97 4.83 0.0 0.0 0
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141331 52862162 1 SN4O4C21H34 AB4C4D21E34 -169.61 8.46 -9.02 -0.61 0
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141332 52862191 1 SN2O2C23H24 AB2C2D23E24 -19.03 2.15 -8.79 -0.53 1
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141333 52862192 1 NOC20H26 ABC20D26 4.05 5.44 0.0 0.0 0
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141334 52862193 1 NOC20H25 ABC20D25 -16.62 1.43 -8.67 -0.15 0
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141335 52862194 1 N2O2C25H26 A2B2C25D26 -19.92 7.99 -8.85 -0.36 0
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141336 52862195 1 NO2C19H21 AB2C19D21 -46.48 2.74 -8.84 -0.24 0
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141337 52862695 1 SN3O4C20H23 AB3C4D20E23 -80.82 4.92 -8.63 -1.02 0
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141338 52862833 1 ClN2O2F3H12C17 AB2C2D3E12F17 -192.85 2.37 -9.68 -0.78 0
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141339 52863090 1 O2N4C13H16 A2B4C13D16 -5.41 4.36 -10.34 -1.09 0
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141340 52863160 1 BrSN3O3H16C18 ABC3D3E16F18 -88.34 1.82 -9.26 -1.19 0
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141341 52863161 1 ClSO2N4H19C20 ABC2D4E19F20 -6.11 5.16 -9.06 -1.08 0
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141342 52863162 1 SO2N6H14C16 AB2C6D14E16 48.67 8.15 -9.56 -1.52 0
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141343 52863616 1 ON4C12H14 AB4C12D14 24.3 5.79 -9.82 -0.1 0
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141344 52863703 1 N3O5H25C26 A3B5C25D26 -132.45 7.78 -8.74 -1.02 0
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141345 52864248 1 BrClON5H13C14 ABCD5E13F14 39.0 1.56 -9.15 -0.74 1
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141346 52864309 1 ClNO2C21H27 ABC2D21E27 -56.06 3.09 0.0 0.0 0
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141347 52864310 1 ClNO2C21H26 ABC2D21E26 -65.47 4.96 -8.92 -0.04 0
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141348 52864407 1 NO2C17H25 AB2C17D25 -78.99 1.03 -8.61 0.43 -1
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141349 52864768 1 FO4N5C19H19 AB4C5D19E19 -94.39 1.63 0.0 0.0 0
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141350 52864962 1 SO3N4C18H20 AB3C4D18E20 -13.59 2.45 -10.14 -1.06 0
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141351 52864969 1 SO3N5H17C18 AB3C5D17E18 30.72 3.5 -10.46 -1.52 0
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141352 52865067 1 SF3N3O3C16H16 AB3C3D3E16F16 -228.1 5.11 -9.36 -1.16 0
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141353 52865333 1 OF2N3C13H13 AB2C3D13E13 -84.55 6.72 -8.94 -1.05 0
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141354 52865389 1 Cl2N3O3H17C20 A2B3C3D17E20 -39.08 4.12 -9.26 -1.08 0
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141355 52865529 1 ClSO3N5C18H18 ABC3D5E18F18 12.58 8.02 -9.53 -1.03 0
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141356 52865749 1 O3N4C16H22 A3B4C16D22 -63.56 7.81 -8.84 -0.68 0
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141357 52865750 1 O2N4C17H24 A2B4C17D24 -35.38 5.83 -9.04 -0.8 0
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141358 52866781 1 BrSN2O2C18H19 ABC2D2E18F19 -51.26 5.15 -9.06 -0.66 0
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141359 52866782 1 N2O4C19H22 A2B4C19D22 -127.69 3.79 -8.93 -0.44 0
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141360 52866783 1 N3O5C20H23 A3B5C20D23 -164.05 2.71 -8.94 -0.53 0
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141361 52866784 1 N3O3H17C18 A3B3C17D18 -34.76 7.47 -9.14 -0.64 0
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141362 52866785 2 NOC9H10 ABC9D10 -65.04 3.93 -8.91 -0.25 0
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141363 52866940 1 O4N5C21H23 A4B5C21D23 -45.01 7.08 -8.82 -0.75 0
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141364 52867688 1 N5O5C21H27 A5B5C21D27 -137.51 4.24 -8.48 -0.44 0
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141365 52867952 1 SO2N3C23H23 AB2C3D23E23 -17.85 4.45 -9.05 -0.62 0
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141366 52868354 1 SN2O4C21H28 AB2C4D21E28 -149.18 9.1 -9.02 -0.85 0
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141367 52868396 1 FSN2O3C16H23 ABC2D3E16F23 -166.87 4.45 -9.46 -0.18 0
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141368 52869359 1 NOF3C14H16 ABC3D14E16 -201.36 5.87 -9.61 -0.52 0
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141369 52869399 1 OF3N3C18H20 AB3C3D18E20 -165.73 7.21 -9.94 -1.14 0
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141370 52869400 1 OF3N3C18H20 AB3C3D18E20 -165.17 7.11 -10.0 -1.14 0
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141371 52869401 1 NOF3C14H18 ABC3D14E18 -215.64 6.27 -10.01 -0.63 0
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141372 52869433 1 O2F3N3C17H20 A2B3C3D17E20 -216.26 1.45 -9.54 -0.74 0
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141373 52869593 1 S2N4O6H16C17 A2B4C6D16E17 -111.92 8.26 -9.21 -1.68 0
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141374 52870173 1 O2N5C24H31 A2B5C24D31 -16.77 8.16 -9.02 -0.58 0
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141375 52870272 1 N3O3C20H31 A3B3C20D31 -124.38 2.35 -8.64 0.34 1
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141376 52870551 1 Cl2O2N4C21H29 A2B2C4D21E29 -32.34 6.2 0.0 0.0 0
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141377 52870552 1 Cl2O2N4C21H28 A2B2C4D21E28 -41.99 5.18 -8.88 -1.26 0
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141378 52870992 1 SO2N5C17H17 AB2C5D17E17 20.22 7.69 -8.95 -0.9 0
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141379 52871322 1 FN2O3H13C14 AB2C3D13E14 -98.28 8.15 -8.81 -0.7 0
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141380 52871455 1 O4N6C25H30 A4B6C25D30 -143.57 2.77 -8.78 -1.35 1
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141381 52871637 1 N3O3C18H22 A3B3C18D22 -63.89 4.1 0.0 0.0 0
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141382 52871676 1 SO2N3C18H21 AB2C3D18E21 -43.51 4.2 -8.82 -0.56 1
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141383 52871677 1 SO2N3C18H22 AB2C3D18E22 -15.06 1.22 0.0 0.0 0
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141384 52871678 1 SO2N3C18H21 AB2C3D18E21 -46.09 7.43 -8.66 -0.11 1
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141385 52871679 1 ClFO2N3C19H20 ABC2D3E19F20 -80.43 4.72 0.0 0.0 0
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141386 52871680 1 ClFO2N3C19H19 ABC2D3E19F19 -96.18 7.5 -8.85 -0.68 0
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141387 52871878 1 FSO2N3C26H26 ABC2D3E26F26 -80.21 8.46 -8.75 -1.15 0
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141388 52871952 1 FN3O5C25H28 AB3C5D25E28 -215.45 5.92 -8.94 -0.59 0
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141389 52871953 1 FO2N3C20H28 AB2C3D20E28 -149.86 7.82 -8.81 0.17 0
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141390 52872010 1 SF2N2O3C15H18 AB2C2D3E15F18 -199.34 6.56 -9.7 -0.91 0
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141391 52872449 1 ON3C17H27 AB3C17D27 -52.12 1.82 -8.53 0.26 0
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141392 52872657 1 BrON3C20H24 ABC3D20E24 -12.41 1.27 -8.51 -0.2 0
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141393 52872822 1 SN3O3C16H21 AB3C3D16E21 -52.44 9.03 -9.72 -0.65 0
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141394 52873053 1 ClFSN2O3C17H18 ABCD2E3F17G18 -136.03 3.82 -9.59 -0.64 0
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141395 52873357 1 F2N2O2C13H16 A2B2C2D13E16 -176.36 6.14 -8.99 -0.22 0
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141396 52873609 1 SO2N3C18H19 AB2C3D18E19 15.3 7.5 -9.43 -1.56 0
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141397 52873822 1 ON2C16H18 AB2C16D18 -1.19 4.85 -8.0 0.1 0
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141398 52874060 1 SO2F3N5C11H16 AB2C3D5E11F16 -199.68 1.83 -9.15 -0.8 0
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141399 52874062 1 SO4N5C11H17 AB4C5D11E17 -50.05 4.77 -9.15 -1.14 0
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141400 52874063 1 ClSO2N7C18H22 ABC2D7E18F22 4.64 6.56 -8.91 -0.84 0
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141401 52874064 1 ClSO2N7C18H22 ABC2D7E18F22 4.84 8.05 -8.85 -0.77 0
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141402 52874129 1 SO3N4C20H26 AB3C4D20E26 -66.6 3.72 -9.21 -1.07 0
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141403 52874130 1 SO3N4C20H26 AB3C4D20E26 -69.73 4.32 -9.11 -0.91 0
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141404 52874131 1 N3O4C19H25 A3B4C19D25 -87.96 2.45 -8.77 -0.36 0
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141405 52874132 1 N3O4C19H25 A3B4C19D25 -89.99 2.78 -8.76 -0.34 1
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141406 52874133 1 ClN2O4C22H26 AB2C4D22E26 -109.81 6.74 0.0 0.0 0
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141407 52874134 1 ClN2O4C22H25 AB2C4D22E25 -130.63 6.58 -8.76 -0.23 0
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141408 52874276 1 ON3C15H19 AB3C15D19 12.51 3.31 -8.36 -0.3 0
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141409 52874600 1 FS2N3O3H14C21 AB2C3D3E14F21 16.01 7.48 -9.4 -1.56 0
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141410 52874686 1 ClN2O2C23H25 AB2C2D23E25 -73.05 5.11 -8.54 -0.79 1
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141411 52874744 1 ClO2N3C24H35 AB2C3D24E35 -84.33 3.6 0.0 0.0 1
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141412 52874758 1 SO2N3C23H32 AB2C3D23E32 -45.98 13.04 0.0 0.0 0