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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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193489 78399696 1 SN3O3C20H23 AB3C3D20E23 -65.85 4.43 -8.72 -0.74 0
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193490 78399699 1 N3O6C19H19 A3B6C19D19 -55.01 5.9 -8.75 -1.37 0
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193491 78399870 1 ON5C22H31 AB5C22D31 -13.94 3.49 -8.4 0.42 0
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193492 78399871 1 ON5C28H35 AB5C28D35 15.88 3.45 -8.36 0.22 0
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193493 78400167 1 OI2N3H9C16 AB2C3D9E16 153.48 10.95 -9.12 -2.06 0
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193494 78400269 1 BrN2O2H23C26 AB2C2D23E26 6.25 6.87 -8.28 -1.21 0
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193495 78400344 1 ClON3H14C20 ABC3D14E20 101.94 6.25 -8.52 -1.59 0
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193496 78400345 1 N2O3C19H20 A2B3C19D20 -35.71 2.04 -8.45 -0.82 0
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193497 78400346 1 ON3C20H21 AB3C20D21 70.62 9.46 -8.22 -1.34 0
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193498 78400751 1 N2O5C20H34 A2B5C20D34 -268.1 9.19 -9.6 0.02 0
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193499 78401392 1 O2N4C19H22 A2B4C19D22 17.09 7.8 -9.1 -0.29 0
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193500 78401393 2 ON2C10H12 AB2C10D12 5.7 8.52 -8.74 -0.22 0
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193501 78401394 1 N2O3H16C18 A2B3C16D18 -3.49 4.82 -8.9 -1.3 0
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193502 78401536 1 SO3N5C18H19 AB3C5D18E19 -19.93 2.24 -8.6 -0.95 0
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193503 78401549 1 SN4O4C18H18 AB4C4D18E18 -24.92 9.64 -8.4 -1.94 0
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193504 78401653 1 N3O4C22H25 A3B4C22D25 -87.27 2.54 -8.23 -1.99 1
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193505 78402173 1 BrO3N6C17H18 AB3C6D17E18 25.31 11.58 0.0 0.0 0
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193506 78402174 1 N3O6C23H25 A3B6C23D25 -180.89 8.14 -8.93 -0.39 0
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193507 78402175 1 BrON3H24C25 ABC3D24E25 74.97 5.79 -7.8 -0.64 0
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193508 78402176 1 N5O5C22H23 A5B5C22D23 -45.82 6.75 -8.65 -0.99 0
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193509 78402177 1 O2N4C31H38 A2B4C31D38 11.39 3.63 -8.74 -1.04 0
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193510 78402573 1 BrClF3N5O5H22C27 ABC3D5E5F22G27 -167.9 4.78 -8.93 -1.85 0
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193511 78402638 1 O2N3C22H23 A2B3C22D23 -2.76 5.47 -8.61 -1.6 0
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193512 78402645 1 OF2N4H10C18 AB2C4D10E18 32.28 5.12 -9.97 -2.31 0
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193513 78402646 1 Br2O2N3H21C24 A2B2C3D21E24 -10.24 3.21 -9.24 -1.43 0
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193514 78403350 1 N4O7H14C20 A4B7C14D20 -71.04 8.48 -9.73 -2.02 0
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193515 78403401 1 N3O3C21H29 A3B3C21D29 -119.15 3.36 -9.25 -0.63 0
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193516 78403402 1 SO2N7H17C20 AB2C7D17E20 133.8 15.21 -8.88 -1.95 1
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193517 78403461 1 NO3C25H30 AB3C25D30 -53.92 18.36 0.0 0.0 1
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193518 78403462 1 ClNO3C22H31 ABC3D22E31 -105.43 18.58 0.0 0.0 0
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193519 78403767 1 SO2N3C17H25 AB2C3D17E25 -48.88 6.96 -8.36 -1.16 0
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193520 78403894 1 O3N4C26H28 A3B4C26D28 -59.33 7.87 -9.07 -0.72 0
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193521 78404024 1 NSO4C13H15 ABC4D13E15 -52.38 3.73 -8.72 -1.88 0
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193522 78404025 1 BrSF3N4O4C27H28 ABC3D4E4F27G28 -247.43 6.3 -8.59 -1.73 0
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193523 78404026 1 ClN3H10C11 AB3C10D11 81.42 2.5 -9.09 -0.92 0
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193524 78404027 1 O3N4H22C24 A3B4C22D24 15.08 9.86 -8.91 -1.19 0
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193525 78404028 1 BrN4O4C14H15 AB4C4D14E15 -63.99 7.24 -8.56 -1.6 0
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193526 78404029 1 O2S2N5C23H27 A2B2C5D23E27 -33.08 8.99 -8.32 -0.72 0
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193527 78404030 1 O3N5C10H13 A3B5C10D13 -38.89 8.66 -9.04 -1.26 0
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193528 78404031 1 BrION3H9C16 ABCD3E9F16 139.5 10.69 -9.14 -2.07 0
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193529 78404032 1 SO3N4H16C18 AB3C4D16E18 -0.77 5.77 -9.08 -1.98 0
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193530 78404047 1 N4C25H28 A4B25C28 90.56 2.85 -7.46 -0.29 0
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193531 78404086 1 ON2C18H18 AB2C18D18 18.51 5.97 -8.64 -0.15 0
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193532 78404087 1 N2O3C25H26 A2B3C25D26 -25.18 6.41 -8.34 -0.63 0
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193533 78404166 1 SO2N7C21H21 AB2C7D21E21 56.98 4.66 -8.89 -1.8 0
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193534 78404296 1 N3O4C19H21 A3B4C19D21 -112.37 6.47 -9.13 -0.35 0
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193535 78404567 1 N3O3H17C20 A3B3C17D20 -0.23 8.21 -8.43 -2.12 0
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193536 78404568 1 SN3O3H19C21 AB3C3D19E21 14.0 10.36 -8.38 -2.08 0
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193537 78404569 1 ClO3N4H15C18 AB3C4D15E18 36.67 5.53 -9.71 -1.69 0
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193538 78404610 1 ON5H15C16 AB5C15D16 124.16 4.62 -8.66 -1.11 0