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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412518 135085413 1 AuSbN3O3F6C31H35 ABC3D3E6F31G35 -322.48 10.9 -9.28 -2.65 0
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412522 135085417 1 FeP2C36H64 AB2C36D64 183.76 4.39 -7.13 0.18 0
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412524 135085419 2 NH16C18 AB16C18 140.03 2.22 -8.33 0.03 0
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412525 135085420 1 ClCuN2H32C36 ABC2D32E36 157.66 6.25 -8.49 -0.41 0
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412527 135085422 1 OPPtSi2C20H47 ABCD2E20F47 -96.16 4.44 -7.8 -1.32 1
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412528 135085423 1 NPPdO2C20H39 ABCD2E20F39 -38.8 2.74 0.0 0.0 0
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412529 135085424 1 PH27C48 AB27C48 184.57 1.25 -8.11 -1.1 2
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412530 135085425 1 ONi2N8C21H21 AB2C8D21E21 288.71 14.76 0.0 0.0 0
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412531 135085426 2 RhO4C16H26 AB4C16D26 -506.68 36.68 -9.75 -4.3 0
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412532 135085427 2 O2C8H13 A2B8C13 -219.78 1.32 -9.06 0.39 0
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412533 135085428 1 NiN6C19H20 AB6C19D20 174.7 4.29 -7.13 -0.44 0
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412534 135085429 1 PN3C19H40 AB3C19D40 -86.51 3.26 -7.83 1.94 0
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412535 135085430 1 ZnH2O2C16F34 AB2C2D16E34 -1795.28 3.18 -9.96 -2.09 0
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412536 135085432 1 NSBr2O3C10H11 ABC2D3E10F11 -98.03 7.81 -10.24 -1.38 -1
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412537 135085433 1 PSi2O4H40C56 AB2C4D40E56 -42.9 4.59 0.0 0.0 0
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412538 135085434 1 PO2C52H61 AB2C52D61 -125.82 2.67 -8.62 -0.61 0
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412539 135085435 1 PO2Si2C70H101 AB2C2D70E101 -238.19 3.04 -8.42 -0.47 0
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412542 135085438 1 CoO2N4C44H62 AB2C4D44E62 -122.79 24.39 0.0 0.0 0
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412543 135085439 2 ON2C22H31 AB2C22D31 -69.11 2.33 -8.14 -0.69 2
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412545 135085441 1 O2P2C37H51 A2B2C37D51 -74.27 2.13 0.0 0.0 2
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412547 135085443 1 PdN2O2H23C27 AB2C2D23E27 144.93 2.97 0.0 0.0 0
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412548 135085444 1 MnS2F6N6O6C38H46 AB2C6D6E6F38G46 -388.41 13.55 0.0 0.0 0
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412549 135085445 2 N3C18H23 A3B18C23 116.84 7.89 -8.37 0.07 0
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412551 135085447 1 N3O5C20H37 A3B5C20D37 -268.41 4.02 -9.67 0.4 0
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412552 135085448 1 IN2O4C26H27 AB2C4D26E27 -64.44 7.66 -8.65 -0.82 0
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412553 135085449 1 O2N3C35H47 A2B3C35D47 -50.57 7.72 -7.79 -1.18 -1
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412555 135085451 1 AuClN2C9H12 ABC2D9E12 74.97 10.25 -9.36 -1.44 0
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412556 135085452 1 CaP2O8H48C68 AB2C8D48E68 -122.3 8.57 -5.27 -2.38 0
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412557 135085453 1 CaP2O12H48C68 AB2C12D48E68 -363.93 40.99 -7.06 -2.8 0
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412561 135085457 1 LiSO3C10H11 ABC3D10E11 -90.21 6.13 -7.89 -0.08 3
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412563 135085460 1 N2O2F6C30H31 A2B2C6D30E31 -306.71 3.92 0.0 0.0 3
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412565 135085462 1 O2N3C30H45 A2B3C30D45 -62.09 3.62 -8.41 -0.67 1
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412566 135085463 1 NC13H14 AB13C14 35.64 1.63 0.0 0.0 0
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412567 135085464 1 O2C13H24 A2B13C24 -128.29 1.95 -10.01 0.71 0
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412568 135085465 1 NO2C13H13 AB2C13D13 -46.06 2.4 -9.9 -1.3 0
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412569 135085466 1 OSC11H12 ABC11D12 30.01 3.27 -8.08 -0.33 0
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412570 135085467 1 NF3H10C13 AB3C10D13 -114.51 3.11 -9.74 -0.78 0
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412571 135085468 1 NO3C13H17 AB3C13D17 -78.72 2.55 -9.3 -0.43 0
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412572 135085469 1 NO2C12H15 AB2C12D15 -32.42 1.74 -8.67 -0.05 0
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412573 135085470 1 O3H12C14 A3B12C14 -42.96 2.08 -9.62 -0.59 0
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412574 135085471 1 O2H12C13 A2B12C13 -17.77 4.84 -9.27 -0.64 0
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412575 135085472 1 NO2C9H17 AB2C9D17 -63.74 2.77 -9.46 0.52 0
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412576 135085473 1 ON2C7H8 AB2C7D8 23.56 5.28 -9.54 -0.46 1
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412577 135085474 1 ON2C7H9 AB2C7D9 24.08 3.54 0.0 0.0 1
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412578 135085475 1 ON2C13H13 AB2C13D13 61.42 2.53 0.0 0.0 0
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412579 135085476 1 Cl2N2H6C11 A2B2C6D11 46.18 0.91 -8.99 -1.03 0
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412580 135085477 1 BrNOH10C11 ABCD10E11 1.87 2.38 -8.95 -1.01 0
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412581 135085478 1 ClON2C14H15 ABC2D14E15 -6.64 1.69 -8.4 -0.54 0
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412582 135085479 1 ClNRuO2C12H24 ABCD2E12F24 106.05 15.35 -7.03 -5.09 0
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412583 135085480 1 ORuN2C23H31 ABC2D23E31 87.03 5.03 0.0 0.0 0