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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407412 135080039 1 NO2C13H17 AB2C13D17 -48.46 2.47 -8.01 0.25 0
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407413 135080040 1 NSiO2C24H31 ABC2D24E31 -67.33 2.84 -8.7 -0.63 0
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407414 135080041 2 OC4H6 AB4C6 -64.65 1.95 -10.4 0.76 0
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407415 135080042 1 BrN3H6C8 AB3C6D8 96.92 4.37 -9.28 -0.87 0
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407416 135080043 1 NO3C10H11 AB3C10D11 -15.03 4.25 -9.23 -1.03 0
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407417 135080044 1 N2C17H22 A2B17C22 84.2 3.23 -8.22 -0.13 0
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407418 135080045 1 NO7C16H17 AB7C16D17 -265.5 4.55 -10.08 -0.96 0
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407419 135080046 1 N2O5C17H20 A2B5C17D20 -153.01 1.99 -8.74 -0.46 0
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407420 135080049 1 N3H13C14 A3B13C14 124.95 3.83 -9.43 -0.98 0
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407421 135080053 1 SO3N4C12H12 AB3C4D12E12 51.77 6.07 -8.68 -1.65 0
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407422 135080077 1 NOC19H21 ABC19D21 28.04 1.89 -9.08 -0.15 0
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407423 135080080 1 BrO2C20H29 AB2C20D29 -95.91 2.38 -9.07 -0.83 0
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407424 135080081 1 BrO2C24H31 AB2C24D31 -86.66 2.45 -9.06 -0.78 0
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407425 135080082 1 O7C22H24 A7B22C24 -223.59 1.27 -9.09 -0.98 0
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407426 135080083 1 OC20H28 AB20C28 0.72 3.01 -9.21 0.06 0
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407427 135080084 1 NO3C30H35 AB3C30D35 -75.88 2.04 -9.19 0.11 0
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407428 135080085 1 NO3C36H45 AB3C36D45 -96.48 1.83 -9.3 0.04 0
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407429 135080086 1 O3C22H28 A3B22C28 -122.46 7.93 -9.22 -0.38 0
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407430 135080087 1 BrNSH10C14 ABCD10E14 72.93 2.36 -8.66 -1.1 0
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407431 135080088 1 NCl3H10C14 AB3C10D14 38.72 3.05 -9.14 -0.7 0
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407432 135080093 1 NOC16H17 ABC16D17 15.63 1.91 -8.28 -0.43 0
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407433 135080094 1 SN2O3C14H14 AB2C3D14E14 -37.48 5.28 -9.05 -0.86 0
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407434 135080095 1 NO4C17H25 AB4C17D25 -185.92 3.83 -8.94 -0.09 0
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407435 135080097 1 IO2C12H15 AB2C12D15 -41.32 3.77 -9.61 -0.77 0
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407436 135080098 1 SiO2C13H26 AB2C13D26 -150.87 2.67 -8.98 -0.22 0
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407437 135080099 1 IN2O5H13C16 AB2C5D13E16 -34.03 6.51 -9.47 -1.86 0
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407438 135080102 1 NO3C12H17 AB3C12D17 -123.09 1.61 -9.29 -0.37 0
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407439 135080103 1 N3O4H23C26 A3B4C23D26 -46.12 5.78 -9.23 -1.01 0
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407440 135080104 1 NCl2O4C14H17 AB2C4D14E17 -151.15 3.77 -8.58 -0.23 0
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407441 135080105 1 NC14H15 AB14C15 60.24 4.47 -9.44 -0.5 0
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407442 135080107 1 BrNC17H18 ABC17D18 57.94 1.75 -8.57 0.07 0
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407443 135080108 1 BrFNH15C16 ABCD15E16 23.8 3.55 -8.96 -0.37 0
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407444 135080126 1 NO5C34H35 AB5C34D35 -119.88 3.52 -8.74 -0.34 0
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407445 135080138 1 NF3O5H16C18 AB3C5D16E18 -268.93 6.12 -8.92 -1.11 0
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407446 135080141 1 SO2N3C11H11 AB2C3D11E11 -10.56 4.66 -8.92 -0.91 0
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407447 135080149 3 OC4H4 AB4C4 -75.51 2.25 -10.02 -0.57 0
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407448 135080152 1 BrOF3H8C11 ABC3D8E11 -136.24 5.77 -8.99 -1.27 0
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407449 135080156 1 PSO2C9H17 ABC2D9E17 -128.91 2.27 -9.12 0.59 0
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407450 135080166 1 N2O2C13H16 A2B2C13D16 -55.04 4.52 -8.93 -0.34 0
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407451 135080167 2 NH6C7 AB6C7 63.54 4.42 -8.54 -0.32 0
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407452 135080168 1 OF3C11H11 AB3C11D11 -180.92 3.88 -10.24 -0.7 0
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407453 135080169 2 OC6H6 AB6C6 -25.13 3.98 -9.78 -0.18 0
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407454 135080170 1 SiCl2C12H20 AB2C12D20 -48.08 1.75 -9.2 -0.09 0
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407455 135080171 1 OBr2N3H7C12 AB2C3D7E12 45.07 3.0 -9.44 -1.88 0
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407456 135080172 1 FOC10H17 ABC10D17 -108.01 1.54 -9.99 0.92 0
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407457 135080173 1 Cl2O2C9H16 A2B2C9D16 -144.12 0.9 -10.05 -0.14 0
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407458 135080174 1 FO2C9H15 AB2C9D15 -152.46 3.22 -10.21 0.44 0
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407459 135080175 1 FNO4C9H12 ABC4D9E12 -175.33 1.59 -10.32 -0.15 0
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407460 135080176 1 FNO3C10H12 ABC3D10E12 -155.34 2.52 -10.3 -0.4 0
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407461 135080177 1 SiO2C14H28 AB2C14D28 -164.53 3.61 -8.57 1.09 0
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407462 135080178 1 OC13H20 AB13C20 -23.32 1.04 -8.46 0.7 1
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407463 135080179 1 FN2H8C9 AB2C8D9 36.42 2.11 0.0 0.0 0
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407465 135080181 1 NOF2C6H11 ABC2D6E11 -146.19 0.56 -9.56 2.04 0
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407466 135080182 1 ON2C13H14 AB2C13D14 17.94 2.26 -9.79 -0.82 0
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407467 135080183 1 O2H12C13 A2B12C13 -29.38 1.89 -9.73 -1.0 0
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407468 135080184 1 Cl2N2C13H14 A2B2C13D14 29.45 2.26 -9.23 -0.98 0
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407469 135080185 1 O4C9H14 A4B9C14 -160.54 1.01 -10.14 0.02 0
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407470 135080186 1 O4C7H14 A4B7C14 -199.55 0.85 -10.55 0.61 0
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407471 135080187 1 OC8H12 AB8C12 9.6 1.79 -8.9 0.71 0
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407472 135080188 2 OC7H9 AB7C9 -57.17 2.0 -9.4 -0.2 0
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407473 135080189 1 ClNOC12H14 ABCD12E14 -34.52 3.87 -9.24 -0.41 0
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407474 135080212 1 O2C15H22 A2B15C22 -76.6 6.46 -9.42 -1.53 0
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407475 135080213 2 OC7H8 AB7C8 -65.22 4.5 -9.77 -0.61 0
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407476 135080219 1 SSiC15H22 ABC15D22 14.86 1.68 -8.24 0.26 0
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407477 135080220 1 OTeH12C13 ABC12D13 58.0 3.02 -8.04 -0.36 0
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407478 135080221 2 N2H4C7 A2B4C7 128.8 5.51 -9.15 -1.14 0
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407479 135080222 1 IOSC14H15 ABCD14E15 9.95 2.0 -8.92 -1.11 0
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407480 135080223 2 O2C6H11 A2B6C11 -197.0 4.05 -10.34 0.42 0
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407481 135080226 1 Li2N2O2C11H14 A2B2C2D11E14 -113.03 4.71 -6.7 0.72 0
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407482 135080227 1 Li2N2O2C11H14 A2B2C2D11E14 -100.67 13.51 -6.52 0.86 0
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407483 135080228 1 O5C9H14 A5B9C14 -210.48 3.5 -10.75 0.19 0
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407484 135080229 1 NO2Si3C10H27 AB2C3D10E27 -284.23 2.26 -8.87 0.77 0
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407485 135080230 1 BO3C13H25 AB3C13D25 -252.45 4.38 -9.71 1.42 0
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407486 135080231 1 BrO2C13H15 AB2C13D15 -68.7 4.63 -9.9 -0.69 0
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407487 135080232 1 BrOC16H17 ABC16D17 0.18 4.07 -9.62 -0.48 0