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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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177404 76181437 2 NO3C7H10 AB3C7D10 -245.5 3.47 -9.67 -0.51 2
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177406 76181826 1 S4O10N11C52H55 A4B10C11D52E55 -234.53 2.02 -8.69 -1.47 0
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177407 76181843 1 CoO2N6C36H44 AB2C6D36E44 76.1 9.97 0.0 0.0 0
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177408 76181945 1 NO6H7C8 AB6C7D8 -219.39 2.49 -10.64 -1.51 0
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177409 76181946 2 O5C13H16 A5B13C16 -391.14 3.22 -8.52 -1.4 0
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177410 76182333 1 SN4O8C39H46 AB4C8D39E46 -281.45 10.65 -8.8 -0.69 0
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177411 76182509 1 SN4O5C17H18 AB4C5D17E18 -78.48 7.48 -9.78 -1.38 0
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177412 76182892 1 O4C11H16 A4B11C16 -169.08 1.05 -9.93 -0.41 0
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177413 76183475 1 ClNO3H10C11 ABC3D10E11 -56.83 4.97 -9.11 -1.65 -1
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177414 76183632 1 SO6H13C16 AB6C13D16 -146.31 5.32 0.0 0.0 -1
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177415 76183633 1 BrSO5H10C15 ABC5D10E15 -100.59 1.92 0.0 0.0 3
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177416 76183762 1 OYN2H8C10 ABC2D8E10 10.97 5.14 0.0 0.0 0
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177417 76183786 1 O3C10H16 A3B10C16 -152.76 2.02 -9.94 0.02 -1
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177418 76183787 1 PO7C13H24 AB7C13D24 -337.47 4.54 0.0 0.0 0
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177419 76183788 1 O3C11H18 A3B11C18 -156.38 2.45 -9.98 -0.04 -1
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177420 76183789 1 PO7C16H32 AB7C16D32 -358.17 4.53 0.0 0.0 0
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177421 76183790 1 O3C14H26 A3B14C26 -180.92 1.53 -10.17 -0.1 -1
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177422 76183791 1 PO7C15H22 AB7C15D22 -306.69 3.78 0.0 0.0 0
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177423 76183841 6 O2C6H7 A2B6C7 -497.14 3.63 -9.2 -0.58 0
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177424 76184286 1 O4N5H11C15 A4B5C11D15 -10.32 4.47 -9.47 -1.61 0
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177425 76184298 1 O3C11H16 A3B11C16 -118.8 6.07 -9.89 -0.37 0
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177426 76184299 1 NO2C12H15 AB2C12D15 -81.35 4.19 -9.77 -0.09 0
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177427 76184313 1 ClN2O3H13C18 AB2C3D13E18 -14.95 5.51 -8.3 -1.69 0
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177428 76184372 1 Cl2N2O4C17H20 A2B2C4D17E20 -177.25 8.4 -9.17 -0.63 0
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177429 76184373 1 BrO6H15C17 AB6C15D17 -186.02 2.18 -8.73 -1.48 1
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177430 76184430 1 NO7C20H22 AB7C20D22 -215.77 11.28 0.0 0.0 0
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177431 76184612 1 N2O6H16C17 A2B6C16D17 -118.94 6.79 -8.9 -1.48 0
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177432 76184894 1 O7C35H46 A7B35C46 -242.43 3.46 -8.68 -0.93 0
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177433 76185187 1 BrN2O4C14H19 AB2C4D14E19 -164.9 8.05 -9.88 -1.03 0
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177434 76185272 1 O3C28H46 A3B28C46 -199.18 6.95 -9.26 -0.59 0
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177435 76185286 1 N4O5H18C20 A4B5C18D20 -63.65 3.99 -8.26 -1.29 0
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177436 76185564 1 ClFN2O2H6C11 ABC2D2E6F11 -26.19 6.72 -9.61 -2.1 0
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177437 76185565 1 NSO2C22H29 ABC2D22E29 29.66 8.44 -7.97 -0.03 0
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177438 76185688 1 ClNSO3H32C33 ABCD3E32F33 -41.19 2.08 -8.99 -1.07 0
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177439 76185751 1 N2O2S2C9H12 A2B2C2D9E12 -0.42 4.91 -8.76 -0.02 -1
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177440 76185752 1 O4C11H11 A4B11C11 -114.87 6.51 0.0 0.0 -1
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177441 76185753 1 O4H9C10 A4B9C10 -105.21 7.97 0.0 0.0 -1
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177442 76185754 1 O3C11H11 A3B11C11 -82.74 1.58 0.0 0.0 0
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177443 76185818 1 ClN3O8C21H24 AB3C8D21E24 -330.17 6.09 -8.31 -1.05 0
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177444 76185891 1 N3O5H19C21 A3B5C19D21 -122.46 8.76 -9.4 -1.12 0
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177445 76186229 1 O3N7C17H25 A3B7C17D25 -63.88 3.62 -9.83 -0.34 0
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177446 76186530 1 BrO4C24H35 AB4C24D35 -136.17 3.2 -8.79 -0.17 0
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177447 76186567 1 NO4C19H21 AB4C19D21 -120.74 2.14 -8.68 -0.54 0
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177448 76186568 1 O4N6C29H34 A4B6C29D34 -8.07 7.38 -8.95 -1.84 0
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177449 76186569 1 BrO2S2N3H16C20 AB2C2D3E16F20 6.99 4.04 -9.23 -1.35 0
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177450 76186570 1 Cl2N3H13C20 A2B3C13D20 112.16 6.35 -8.63 -1.38 0
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177451 76186571 1 O13C59H86 A13B59C86 -568.9 4.1 -8.6 -0.99 0
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177452 76186572 1 O14C67H96 A14B67C96 -597.37 3.65 -8.58 -1.16 0
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177453 76186573 1 ClNO11C37H52 ABC11D37E52 -507.93 2.85 -9.71 -0.66 0
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177454 76186574 1 FO2C13H15 AB2C13D15 -125.85 3.06 -9.76 -0.13 0