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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139413 52526130 1 ON2C13H26 AB2C13D26 -84.76 3.68 -9.07 1.36 1
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139414 52526139 1 ON2C12H19 AB2C12D19 -14.44 5.44 0.0 0.0 0
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139415 52526140 1 ON2C12H18 AB2C12D18 -31.77 4.48 -8.66 0.22 0
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139416 52526714 1 ClSO3N4C23H23 ABC3D4E23F23 -81.63 14.44 -8.69 -1.13 -1
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139417 52527272 1 SF2O2N3H12C19 AB2C2D3E12F19 -20.71 4.58 0.0 0.0 0
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139418 52528141 1 SN2O5C14H16 AB2C5D14E16 -127.83 7.44 -9.6 -0.81 0
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139419 52528142 1 O2N5C20H31 A2B5C20D31 -47.67 6.84 -8.72 -0.26 1
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139420 52528318 1 FON3C22H23 ABC3D22E23 9.96 6.12 0.0 0.0 0
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139421 52529109 1 OSN5C20H29 ABC5D20E29 13.14 3.03 -9.33 -0.75 0
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139422 52529130 1 NO3H17C18 AB3C17D18 -72.41 4.96 -8.8 -0.45 0
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139423 52529133 1 N2O3C23H24 A2B3C23D24 -77.17 3.4 -8.71 -0.19 0
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139424 52529818 1 SN2O4C17H20 AB2C4D17E20 -130.52 8.24 -9.21 -1.04 0
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139425 52530036 3 NOC5H5 ABC5D5 41.21 6.02 -9.16 -1.41 0
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139426 52530037 1 ClN3O3C16H16 AB3C3D16E16 22.32 5.16 -8.96 -1.22 0
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139427 52530038 2 OSN2C6H7 ABC2D6E7 46.25 5.35 -8.81 -0.85 0
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139428 52530061 1 N2O4C19H20 A2B4C19D20 -72.2 3.35 -8.71 -0.91 0
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139429 52530127 1 NSO5C18H29 ABC5D18E29 -222.44 5.22 -8.29 0.26 1
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139430 52530222 1 FN3O3C22H25 AB3C3D22E25 -89.16 6.56 0.0 0.0 0
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139431 52530495 1 F2O2N3H19C20 A2B2C3D19E20 -89.06 3.36 -8.86 -0.72 0
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139432 52530496 1 F2O2N3H19C20 A2B2C3D19E20 -86.72 3.7 -8.91 -0.8 1
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139433 52530497 1 N3O3C20H26 A3B3C20D26 -80.56 4.12 0.0 0.0 1
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139434 52530872 1 NO2C19H28 AB2C19D28 -67.14 2.18 0.0 0.0 0
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139435 52530873 1 NO2C19H27 AB2C19D27 -76.7 1.29 -8.37 0.36 0
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139436 52530997 1 ClFNSO3C19H21 ABCDE3F19G21 -134.37 6.36 -8.74 -0.42 0
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139437 52531063 1 NS2C16H21 AB2C16D21 38.3 1.62 -8.79 -0.06 1
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139438 52531064 1 ON3S3C16H16 AB3C3D16E16 71.4 3.49 0.0 0.0 -1
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139439 52531165 1 NSO6H14C16 ABC6D14E16 -171.62 5.33 0.0 0.0 -1
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139440 52531192 1 NSCl2O5H10C14 ABC2D5E10F14 -154.07 6.94 0.0 0.0 0
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139441 52531359 1 FN3O4C23H28 AB3C4D23E28 -172.76 5.91 -8.88 -0.44 0
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139442 52531750 1 N3O4C22H25 A3B4C22D25 -77.28 5.8 -8.4 -0.61 0
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139443 52531751 1 N3O4C22H25 A3B4C22D25 -79.83 3.83 -8.29 -0.55 0
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139444 52531752 2 N2O2C9H12 A2B2C9D12 -158.55 5.56 -8.97 -0.22 0
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139445 52531950 1 ClO2N3C20H24 AB2C3D20E24 -69.44 6.73 -9.34 -0.8 0
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139446 52531951 1 ClO2N3C20H24 AB2C3D20E24 -62.92 3.28 -9.64 -1.03 0
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139447 52531952 1 ClN2O2S2H17C18 AB2C2D2E17F18 -15.06 3.13 -9.17 -0.76 0
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139448 52532183 1 N2S2O3H18C19 A2B2C3D18E19 -41.84 2.44 -8.75 -0.81 0
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139449 52532184 1 ON2S2C20H22 AB2C2D20E22 13.24 3.4 -8.69 -0.76 -1
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139450 52532514 1 OSN7H12C17 ABC7D12E17 152.55 10.16 0.0 0.0 0
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139451 52532542 1 FN2O2C22H23 AB2C2D22E23 -97.87 3.74 -8.51 -0.16 1
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139452 52532820 1 ClO3N4C16H20 AB3C4D16E20 9.12 11.0 0.0 0.0 0
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139453 52533168 1 ClN2O5C17H27 AB2C5D17E27 -212.68 8.05 -8.6 -0.2 0
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139454 52533272 1 O2N3C21H21 A2B3C21D21 3.48 4.24 -9.43 -0.64 0
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139455 52533672 1 NSO5C19H27 ABC5D19E27 -211.8 8.13 -9.28 -0.24 0
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139456 52533673 1 SN3O3C19H27 AB3C3D19E27 -91.48 5.24 -9.04 -0.09 0
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139457 52533724 1 SN2F3O3C21H21 AB2C3D3E21F21 -231.32 6.42 -9.01 -1.02 0
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139458 52533725 1 SN2F3O3C21H21 AB2C3D3E21F21 -235.4 3.84 -8.87 -0.84 0
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139459 52534339 1 ClSO2N3C19H20 ABC2D3E19F20 -25.7 6.9 -8.84 -0.26 0
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139460 52534611 1 SF3N3O3C19H20 AB3C3D3E19F20 -241.19 10.05 -9.24 -0.75 0
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139461 52534950 1 BrN3O3C16H24 AB3C3D16E24 -145.26 6.62 -10.03 -0.25 0
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139462 52535482 1 FN2O2C22H23 AB2C2D22E23 -81.98 1.65 -8.56 -0.36 0
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139463 52535789 1 SN3O3C19H25 AB3C3D19E25 -122.69 3.41 -9.11 -1.41 0
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139464 52536013 1 ClN2O2C18H23 AB2C2D18E23 -80.05 4.71 -9.09 -0.63 0
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139465 52536086 1 NOC20H25 ABC20D25 -9.95 1.86 -8.61 0.37 0
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139466 52536140 1 FSO2N3C20H20 ABC2D3E20F20 -36.1 5.75 -9.26 -0.86 0
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139467 52536808 1 ON4C15H16 AB4C15D16 59.05 4.01 -9.51 -0.55 0
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139468 52537356 1 O2N5C20H27 A2B5C20D27 -36.82 4.43 -9.44 -0.93 0
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139469 52537550 1 ClFN3O3H19C22 ABC3D3E19F22 -97.42 2.24 -9.06 -1.01 0
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139470 52537758 1 O2N3H17C18 A2B3C17D18 48.93 2.91 -9.51 -0.29 1
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139471 52538127 1 BrON2C20H30 ABC2D20E30 1.11 22.03 0.0 0.0 0
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139472 52538195 1 N3O3C21H25 A3B3C21D25 -103.18 5.92 -8.86 -0.46 0
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139473 52538429 1 O2N3C21H31 A2B3C21D31 -90.32 6.74 -8.62 0.3 1
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139474 52538578 1 ClON3C25H33 ABC3D25E33 -4.47 5.56 0.0 0.0 0
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139475 52538579 1 ClON3C25H32 ABC3D25E32 -21.86 4.23 -8.72 0.04 1
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139476 52538580 1 ClON3C25H33 ABC3D25E33 -3.16 3.22 0.0 0.0 0
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139477 52539012 2 ON2C12H17 AB2C12D17 -47.72 4.66 -8.61 0.13 0
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139478 52539396 1 F3N3C16H18 A3B3C16D18 -115.9 3.8 -8.96 -0.66 0
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139479 52539397 1 F3N3C16H18 A3B3C16D18 -115.85 3.91 -9.01 -0.69 1
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139480 52539398 1 ClN2O2C18H26 AB2C2D18E26 -34.52 2.78 0.0 0.0 1
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139481 52539628 1 NO4C21H28 AB4C21D28 -113.79 2.69 0.0 0.0 0
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139482 52539644 1 Cl2N3O3C12H15 A2B3C3D12E15 -121.29 4.36 -9.28 -0.46 0
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139483 52540000 1 NO2C13H13 AB2C13D13 -5.92 3.8 -8.49 -0.97 1
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139484 52540152 1 ClSN3O3C20H27 ABC3D3E20F27 -66.32 11.44 0.0 0.0 1
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139485 52540429 1 OF3N3C16H25 AB3C3D16E25 -170.51 3.31 0.0 0.0 0
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139486 52540540 1 ClSF2N2O4H13C21 ABC2D2E4F13G21 -158.96 5.27 -9.1 -1.15 -1
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139487 52540784 1 N3O4H24C25 A3B4C24D25 -39.53 4.18 0.0 0.0 0
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139488 52540785 1 N3O4C25H25 A3B4C25D25 -81.81 2.27 -8.8 -0.24 0
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139489 52540819 1 S2N7C19H25 A2B7C19D25 90.59 9.25 -8.69 -1.02 0
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139490 52541142 1 FO2S2N5C21H24 AB2C2D5E21F24 -57.23 10.59 -8.57 -0.82 0
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139491 52542212 1 SF2O4C21H22 AB2C4D21E22 -232.34 4.71 -9.43 -0.74 1
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139492 52542301 1 ClSN3O3C20H31 ABC3D3E20F31 -110.78 11.86 0.0 0.0 0
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139493 52542413 1 NO3C18H23 AB3C18D23 -106.93 2.02 -9.43 -0.99 0
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139494 52542463 1 N2O4C17H20 A2B4C17D20 -119.74 1.87 -9.24 -0.76 0
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139495 52542464 1 N2O3C18H22 A2B3C18D22 -96.44 2.7 -9.2 -0.75 0
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139496 52542714 1 BrFO2H14C17 ABC2D14E17 -69.63 2.44 -9.69 -0.45 0
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139497 52542788 2 ON2C13H17 AB2C13D17 -25.67 4.52 -8.72 -0.72 0
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139498 52542789 1 O2N3C27H39 A2B3C27D39 -109.07 6.55 -8.62 0.18 0
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139499 52542915 1 ClFON2C13H18 ABCD2E13F18 -102.73 4.26 -8.99 -0.45 0
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139500 52542958 2 NO2C9H15 AB2C9D15 -177.65 1.59 -8.06 0.17 1
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139501 52543063 1 N3O3C21H34 A3B3C21D34 -120.39 4.26 0.0 0.0 0
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139502 52543915 1 NO4C14H17 AB4C14D17 -76.45 5.17 -10.41 -1.61 0
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139503 52543916 2 O2C8H11 A2B8C11 -151.09 2.11 -8.48 -0.82 1
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139504 52543917 1 FON2C23H30 ABC2D23E30 -43.19 2.64 0.0 0.0 0
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139505 52543957 1 SO2N6C12H18 AB2C6D12E18 -18.7 5.12 -9.74 -1.3 0
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139506 52544059 1 SN2O4C15H20 AB2C4D15E20 -156.06 7.42 -10.24 -0.62 0
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139507 52544151 1 SN2O5C16H16 AB2C5D16E16 -143.42 7.12 -9.92 -0.66 0
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139508 52544368 1 ON2F3C19H29 AB2C3D19E29 -207.16 3.04 -8.54 0.41 1
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139509 52544369 1 OF3N4C17H22 AB3C4D17E22 -94.59 2.9 0.0 0.0 0
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139510 52544415 1 NO5C21H23 AB5C21D23 -191.51 3.36 -8.89 -1.27 0
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139511 52544532 1 N3O4H21C22 A3B4C21D22 -95.85 4.45 -8.48 -1.29 0
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139512 52544801 1 SN2O3C24H26 AB2C3D24E26 -80.86 1.16 -9.08 -1.1 0