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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138513 52378590 1 NS2O3C18H19 AB2C3D18E19 -86.72 2.94 -8.49 -0.91 0
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138514 52378893 1 N2O3C19H28 A2B3C19D28 -137.4 2.27 -8.35 0.47 0
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138515 52378967 1 N3O4C19H27 A3B4C19D27 -109.47 14.03 -8.94 -1.13 0
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138516 52379082 1 N3C16H25 A3B16C25 40.53 2.79 -8.81 0.61 1
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138517 52379083 1 N3C16H26 A3B16C26 59.81 3.4 0.0 0.0 1
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138518 52379149 1 O2N4C21H33 A2B4C21D33 -12.18 3.72 0.0 0.0 1
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138519 52379155 1 ON4C23H31 AB4C23D31 2.25 4.62 0.0 0.0 0
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138520 52379156 1 ON4C23H30 AB4C23D30 -1.9 1.57 -8.44 -0.24 1
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138521 52379157 1 ON4C23H31 AB4C23D31 0.81 5.34 0.0 0.0 1
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138522 52379234 1 ON4C23H37 AB4C23D37 -9.13 2.2 0.0 0.0 0
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138523 52379368 1 FN3O3C15H18 AB3C3D15E18 -90.03 10.78 -9.2 -1.35 0
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138524 52379733 1 N2O3C23H28 A2B3C23D28 -104.65 4.62 -8.04 0.3 0
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138525 52379734 1 ClO2N3C20H22 AB2C3D20E22 -18.01 5.97 -8.78 -0.73 0
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138526 52380217 2 ON2C10H11 AB2C10D11 -17.56 3.91 -9.13 -0.45 1
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138527 52380218 1 ON5C25H36 AB5C25D36 9.54 6.58 0.0 0.0 0
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138528 52380219 1 N2O4C19H22 A2B4C19D22 -113.26 4.33 -8.3 -0.4 1
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138529 52380511 1 ON4C19H35 AB4C19D35 -8.63 6.43 0.0 0.0 0
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138530 52380512 1 ON4C19H34 AB4C19D34 -33.71 4.38 -8.75 0.26 0
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138531 52380659 1 N3O4C20H21 A3B4C20D21 -62.92 7.17 -9.14 -0.7 2
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138532 52380711 1 O2N5C16H29 A2B5C16D29 -55.98 7.51 -6.86 0.59 0
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138533 52381096 1 O3N4C19H24 A3B4C19D24 -44.27 5.25 -8.42 -0.6 0
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138534 52381924 1 SN4O6C25H32 AB4C6D25E32 -199.29 7.69 -8.41 -1.01 0
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138535 52382074 1 O3N4H26C31 A3B4C26D31 -9.28 4.18 -9.1 -0.71 0
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138536 52382075 1 O3N4H26C31 A3B4C26D31 -11.17 3.48 -8.88 -0.72 0
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138537 52382141 1 NO4H23C29 AB4C23D29 -64.76 4.63 -8.86 -0.58 0
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138538 52382144 1 ClNO4H20C25 ABC4D20E25 -91.5 2.15 -9.2 -0.64 0
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138539 52382150 1 N2O2H24C27 A2B2C24D27 -11.06 3.87 -8.26 -0.94 0
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138540 52382151 2 NOH13C14 ABC13D14 -19.41 3.68 -8.2 -0.94 -1
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138541 52382676 1 O2N5C19H20 A2B5C19D20 67.46 5.48 0.0 0.0 0
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138542 52382923 1 PSN2O3H23C25 ABC2D3E23F25 -61.18 2.77 -8.89 -0.84 0
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138543 52382936 1 BrC10H15 AB10C15 36.58 1.86 -9.88 0.13 1
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138544 52383246 1 NSO3C19H24 ABC3D19E24 -46.57 6.2 0.0 0.0 0
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138545 52383529 1 N2O3H22C25 A2B3C22D25 -61.88 3.93 -9.14 -0.72 1
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138546 52383582 1 SO2N4C15H21 AB2C4D15E21 -25.31 4.6 0.0 0.0 0
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138547 52383612 1 OSN3C21H23 ABC3D21E23 30.41 3.51 -8.61 -0.24 0
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138548 52384191 1 FNOSC15H24 ABCDE15F24 -85.59 5.43 -8.33 0.11 1
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138549 52384192 1 FNOSC15H25 ABCDE15F25 -76.6 1.11 0.0 0.0 0
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138550 52384193 1 FNOSC15H24 ABCDE15F24 -87.13 2.89 -8.66 -0.03 0
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138551 52384194 1 N2O3C20H30 A2B3C20D30 -149.04 2.38 -9.67 -0.08 0
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138552 52384583 1 O2N3C20H27 A2B3C20D27 -53.72 3.18 -8.55 -0.52 1
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138553 52384651 1 ON4C16H23 AB4C16D23 53.85 4.46 0.0 0.0 0
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138554 52384836 1 OSN5C15H19 ABC5D15E19 38.34 7.8 -8.64 -0.97 0
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138555 52384899 1 ON5C20H35 AB5C20D35 -47.84 4.67 -9.46 0.51 -1
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138556 52384900 1 N4O4H17C20 A4B4C17D20 -35.22 13.98 0.0 0.0 0
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138557 52384901 1 N3O3C16H25 A3B3C16D25 -131.9 7.35 -8.38 0.07 0
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138558 52384921 1 ON3C16H21 AB3C16D21 -4.43 4.74 -9.14 0.22 1
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138559 52385305 1 ON2C14H23 AB2C14D23 -28.15 5.14 0.0 0.0 0
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138560 52385306 2 O3C12H16 A3B12C16 -271.38 7.14 -9.65 -0.2 0
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138561 52385307 2 O3C12H16 A3B12C16 -273.61 6.66 -9.8 -0.34 0
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138562 52385308 1 O2C19H30 A2B19C30 -125.33 2.31 -10.03 0.86 -1
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138563 52385309 1 O4C24H39 A4B24C39 -219.81 4.23 0.0 0.0 0
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138564 52385310 4 OC6H10 AB6C10 -248.82 2.21 -10.04 0.55 1
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138565 52385311 1 NO2C10H10 AB2C10D10 -47.95 5.06 0.0 0.0 0
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138566 52385312 1 NO5C9H13 AB5C9D13 -217.01 1.22 -10.58 -0.28 0
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138567 52385313 1 NO5C9H13 AB5C9D13 -216.45 1.61 -10.46 -0.13 0
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138568 52385314 1 NO5C9H13 AB5C9D13 -216.48 1.6 -10.46 -0.13 0
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138569 52385315 1 NO5C9H13 AB5C9D13 -216.96 1.22 -10.59 -0.29 0
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138570 52385471 1 N2O2S2C17H24 A2B2C2D17E24 -37.43 7.0 -8.83 -0.33 1
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138571 52385515 1 O2N3C21H34 A2B3C21D34 -29.05 4.4 0.0 0.0 1
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138572 52385871 1 OSN5C8H14 ABC5D8E14 7.66 14.78 0.0 0.0 0
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138573 52385872 1 NC14H15 AB14C15 33.13 1.99 -7.86 -0.25 0
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138574 52385972 1 NSO2C16H21 ABC2D16E21 -53.15 3.43 -8.4 -0.08 -1
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138575 52386399 1 NSO3H12C14 ABC3D12E14 -10.8 18.23 0.0 0.0 0
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138576 52387145 1 SN3O3C17H33 AB3C3D17E33 -163.23 7.34 -8.38 0.28 1
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138577 52387198 1 FO2N4C18H24 AB2C4D18E24 -92.6 1.47 0.0 0.0 1
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138578 52387720 1 ON3C16H28 AB3C16D28 0.65 3.99 0.0 0.0 0
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138579 52388328 1 N2O3C18H30 A2B3C18D30 -185.43 4.79 -9.51 0.74 0
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138580 52388453 1 N3O3C22H27 A3B3C22D27 -93.14 1.79 -8.05 -0.3 1
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138581 52388454 1 N3O3C22H28 A3B3C22D28 -82.24 4.63 0.0 0.0 0
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138582 52388532 1 O2N5C21H23 A2B5C21D23 0.16 4.14 -9.17 -0.61 1
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138583 52388554 1 O2N4C22H27 A2B4C22D27 16.97 8.32 0.0 0.0 1
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138584 52388555 1 OSN4C18H21 ABC4D18E21 64.03 8.72 0.0 0.0 0
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138585 52388603 1 SN2O2C16H26 AB2C2D16E26 -91.8 2.88 -8.9 -0.16 1
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138586 52388604 1 SN6C17H27 AB6C17D27 82.03 13.11 0.0 0.0 0
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138587 52388821 1 NSO4C17H25 ABC4D17E25 -145.12 5.23 -9.56 -0.8 0
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138588 52389427 1 OSN3C17H25 ABC3D17E25 11.99 3.31 -8.46 0.1 0
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138589 52389661 1 O2N3C19H25 A2B3C19D25 -7.53 3.29 -8.56 0.16 1
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138590 52389662 1 OS2N4C15H21 AB2C4D15E21 44.96 4.42 0.0 0.0 0
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138591 52389860 1 N2O3H20C22 A2B3C20D22 -44.72 4.8 -8.71 -0.82 -1
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138592 52389861 1 O2S2N6H11C14 A2B2C6D11E14 97.46 5.29 0.0 0.0 0
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138593 52389908 1 SO2N5C16H19 AB2C5D16E19 -19.69 4.08 -8.88 -0.3 0
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138594 52389909 1 SO2N5C16H19 AB2C5D16E19 -22.94 8.08 -9.01 -0.4 0
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138595 52390763 1 OS2N3C18H23 AB2C3D18E23 30.4 4.47 -9.12 -1.12 1
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138596 52390806 1 O2N4C22H25 A2B4C22D25 14.35 3.1 0.0 0.0 0
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138597 52391342 1 NSO3C18H21 ABC3D18E21 -78.76 6.53 -9.14 -0.38 -1
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138598 52391444 1 N2O4C21H25 A2B4C21D25 -119.51 3.54 0.0 0.0 1
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138599 52392179 1 ClSO2N3C17H23 ABC2D3E17F23 -25.51 3.28 0.0 0.0 0
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138600 52392217 1 SN3O3C20H33 AB3C3D20E33 -112.27 6.63 -8.76 0.21 1
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138601 52392218 1 SN3O3C20H34 AB3C3D20E34 -86.54 9.6 0.0 0.0 1
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138602 52392498 1 SN3O5C16H22 AB3C5D16E22 -31.61 8.22 0.0 0.0 0
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138603 52392499 1 SN3O5C16H21 AB3C5D16E21 -71.92 3.8 -8.97 -1.89 0
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138604 52392656 2 ON2C8H16 AB2C8D16 -124.56 5.43 -8.48 0.86 0
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138605 52392749 1 OSN2C14H22 ABC2D14E22 -35.61 3.11 -8.85 -0.24 -1
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138606 52393281 1 N2O7C17H21 A2B7C17D21 -241.3 10.35 0.0 0.0 0
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138607 52393282 1 N2O7C17H22 A2B7C17D22 -277.34 6.77 -8.53 -0.07 1
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138608 52393293 1 N2O3C18H25 A2B3C18D25 -18.66 6.14 0.0 0.0 0
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138609 52393294 1 N2O3C18H24 A2B3C18D24 -25.99 1.97 -8.93 -0.08 1
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138610 52393295 1 N2O3C18H25 A2B3C18D25 -18.31 3.87 0.0 0.0 0
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138611 52393386 1 SN2O3C18H30 AB2C3D18E30 -132.23 5.95 -8.68 -0.46 0
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138612 52393387 1 ClSN2O3C15H23 ABC2D3E15F23 -115.75 4.48 -8.95 -0.87 0