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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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385181 134978468 1 O3C12H16 A3B12C16 -130.0 2.16 -9.22 0.31 0
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385182 134978469 1 KC15H21 AB15C21 -17.9 9.97 -5.54 0.01 0
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385183 134978471 1 BLiO2C11H20 ABC2D11E20 -168.56 4.24 -6.58 1.15 0
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385184 134978472 1 LiPC9H18 ABC9D18 70.8 31.22 -2.39 0.15 0
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385185 134978475 1 FON2H19C28 ABC2D19E28 72.74 6.33 -8.53 -1.18 0
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385186 134978478 8 C4H7 A4B7 -20.46 0.45 -8.05 0.94 0
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385187 134978479 1 NC25H27 AB25C27 78.01 4.21 -8.98 -0.1 0
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385188 134978480 2 OH12C14 AB12C14 69.38 2.76 -9.35 -0.02 0
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385189 134978482 1 OSiC20H34 ABC20D34 -43.18 3.3 -8.93 1.16 0
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385190 134978485 1 Br2O2H18C19 A2B2C18D19 8.41 3.86 -9.44 -0.27 0
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385192 134978491 1 SiO2C20H34 AB2C20D34 -116.64 3.01 -7.8 0.14 0
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385194 134978496 1 NOSC15H19 ABCD15E19 -15.65 3.93 -8.55 -0.04 0
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385195 134978497 1 PBr2C16H31 AB2C16D31 -81.08 5.92 -8.69 -0.42 0
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385196 134978498 1 PO2C19H23 AB2C19D23 -84.26 5.37 -9.08 0.33 0
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385197 134978499 1 PO2C24H25 AB2C24D25 -53.35 3.85 -8.99 0.28 0
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385198 134978500 1 IOPC16H20 ABCD16E20 -43.14 7.83 -7.85 -0.19 0
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385199 134978502 1 ClPO2C26H32 ABC2D26E32 -72.17 5.91 -9.04 -0.15 0
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385200 134978503 1 IPSC20H28 ABCD20E28 -8.98 9.03 -7.87 0.27 0
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385201 134978504 1 IPSC23H34 ABCD23E34 -25.38 8.24 -7.89 0.25 0
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385202 134978506 1 IPSeN2C19H28 ABCD2E19F28 10.23 8.34 -8.28 -0.35 1
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385203 134978508 1 PSO5H26C28 ABC5D26E28 -101.66 15.63 0.0 0.0 0
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385204 134978512 1 IPC22H28 ABC22D28 7.35 8.76 -7.57 -0.06 0
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385205 134978516 1 IPO3C9H15 ABC3D9E15 -117.14 5.73 0.0 0.0 0
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385206 134978518 1 BrPC22H28 ABC22D28 15.68 6.26 -8.3 0.0 0
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385207 134978520 1 PSF3O3H30C31 ABC3D3E30F31 -205.4 10.94 -9.53 -0.48 0
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385208 134978524 1 O3C16H20 A3B16C20 -107.4 4.83 -9.82 -0.64 1
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385209 134978526 1 PSeO2C8H18 ABC2D8E18 -88.92 3.96 0.0 0.0 0
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385210 134978528 1 OPSiC17H21 ABCD17E21 -84.5 6.53 -8.49 -0.32 0
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385211 134978529 7 SH6C7 AB6C7 333.41 0.63 -8.86 -0.67 0
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385212 134978534 1 OSiS2C12H22 ABC2D12E22 -92.81 5.43 -8.27 0.26 0
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385213 134978535 1 PS2O3C14H21 AB2C3D14E21 -205.83 3.2 -9.14 -0.46 0
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385214 134978537 1 SiO4C25H38 AB4C25D38 -232.09 2.05 -8.87 -0.65 -1
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385215 134978540 1 FPSN5O7H34C38 ABCD5E7F34G38 -202.37 7.0 0.0 0.0 -1
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385216 134978541 1 FPSN2O8C31H31 ABCD2E8F31G31 -371.22 13.54 0.0 0.0 -1
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385217 134978542 1 FPSN5O7H34C38 ABCD5E7F34G38 -204.94 5.97 0.0 0.0 -2
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385218 134978545 1 PSN3O6C9H12 ABC3D6E9F12 -245.71 5.86 -9.68 -2.3 -3
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385219 134978549 1 S2P3N6O14C18H20 A2B3C6D14E18F20 -479.66 9.15 0.0 0.0 -4
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385220 134978550 1 S2P3N5C10O11H12 A2B3C5D10E11F12 -443.41 2.67 -9.69 -2.69 -2
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385222 134978565 1 PN3O8C12H20 AB3C8D12E20 -413.35 6.8 -9.76 -0.09 0
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385223 134978568 1 PBr3N5O8C12H13 AB3C5D8E12F13 -320.44 4.33 -9.39 -2.14 -1
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385224 134978569 1 PF3N5O7C12H12 AB3C5D7E12F12 -378.07 3.67 0.0 0.0 0
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385225 134978575 1 O9C21H34 A9B21C34 -419.25 3.75 -10.03 0.57 0
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385226 134978577 1 ClNC12H24 ABC12D24 -10.69 10.71 -8.24 0.03 0
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385227 134978579 1 C17H30 A17B30 -21.6 0.99 -9.13 1.57 0
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385228 134978580 1 H20C23 A20B23 99.86 0.31 -9.03 -0.1 0
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385229 134978581 1 O3C19H30 A3B19C30 -108.37 2.98 -9.5 0.15 0
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385230 134978582 3 O3C7H10 A3B7C10 -368.96 5.99 -9.73 -0.46 0
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385231 134978583 1 O5C22H34 A5B22C34 -226.07 4.82 -9.18 0.11 0
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385232 134978587 1 OC12H20 AB12C20 -15.04 2.81 -8.21 0.24 0
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385233 134978589 1 NOC16H27 ABC16D27 -53.91 4.12 -9.18 1.23 0
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385234 134978590 1 OSiC25H28 ABC25D28 1.5 4.67 -9.15 -0.38 0
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385235 134978591 1 OSiC25H28 ABC25D28 3.18 4.28 -8.98 -0.32 0
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385236 134978592 1 C13H16 A13B16 23.4 0.46 -8.81 0.72 0
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385238 134978594 1 NO2C14H19 AB2C14D19 -48.07 2.33 -8.96 -0.39 0
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385239 134978595 1 BSiO2C14H31 ABC2D14E31 -203.61 2.29 -8.73 0.51 -1
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385241 134978600 1 BC12H21 AB12C21 51.63 0.7 -7.95 0.86 -1
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385242 134978602 1 AlOC7H15 ABC7D15 -77.89 1.86 -8.9 1.48 -1
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385243 134978604 1 BC16H35 AB16C35 -93.64 0.11 -9.43 0.65 0
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385244 134978605 1 KNBe2C9H20 ABC2D9E20 81.58 1.68 -6.05 0.28 0
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385246 134978607 1 O2C11H22 A2B11C22 -132.55 2.69 -9.8 0.6 0
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385248 134978611 1 GeNOC11H27 ABCD11E27 -81.65 2.42 -8.25 1.44 0
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385249 134978612 1 SiO2C16H36 AB2C16D36 -216.06 3.73 -9.17 1.22 0
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385250 134978614 1 BCl2C13H23 AB2C13D23 -100.39 2.21 -10.24 -0.31 0
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385252 134978618 1 SnC18H36 AB18C36 -25.83 1.24 -8.47 0.63 0
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385253 134978619 1 BClC8H16 ABC8D16 -40.99 2.04 -9.01 0.76 0
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385254 134978623 1 BSCl2N2Si2C5H15 ABC2D2E2F5G15 -179.73 2.91 -8.25 -0.52 0
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385255 134978624 1 SO2C13H24 AB2C13D24 -121.49 0.76 -9.24 0.14 0
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385256 134978625 1 BLiCl2O2C11H22 ABC2D2E11F22 -251.19 7.08 -8.75 0.83 0
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385257 134978629 1 BSO4C12H25 ABC4D12E25 -272.85 4.08 -9.5 -0.34 0
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385258 134978630 1 BOC11H23 ABC11D23 -92.87 3.33 -8.5 0.59 0
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385259 134978632 1 BNC8H16 ABC8D16 -44.99 2.29 -8.25 1.87 0
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385260 134978635 1 BO2C9H17 AB2C9D17 -137.56 3.01 -9.83 1.26 0
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385261 134978636 1 BBrH8C9 ABC8D9 6.33 2.68 -9.26 -0.92 0
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385262 134978637 1 O2N3C10H21 A2B3C10D21 -59.73 4.72 -10.23 -0.36 0
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385263 134978639 1 OC9H18 AB9C18 -66.83 1.71 -9.42 1.53 0
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385264 134978640 1 BC11H21 AB11C21 -51.83 0.1 -9.66 0.94 0
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385265 134978641 16 CH2 AB2 -64.41 0.41 -9.13 1.54 0
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385267 134978651 1 GeC3N3F9 AB3C3D9 -424.65 0.72 -11.42 -2.13 0
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385268 134978652 1 BrGeC6H15 ABC6D15 -43.45 3.07 -9.94 -0.78 0
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385269 134978653 1 ClSiC13H19 ABC13D19 -26.12 2.13 -9.27 0.21 0
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385270 134978654 1 Ge2B3N3C4H12 A2B3C3D4E12 75.83 0.92 -6.39 -2.41 0
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385271 134978661 1 BBrClSC14H29 ABCDE14F29 -92.0 3.08 -8.22 -0.62 0
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385272 134978662 1 BN3C6H10 AB3C6D10 12.81 6.93 -10.57 -0.38 0
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385273 134978664 1 BC12H21 AB12C21 -46.6 0.88 -9.38 0.97 0
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385274 134978665 1 NC9H13 AB9C13 33.84 4.62 -9.7 -0.65 0
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385275 134978668 1 BBrO2H6C8 ABC2D6E8 -85.95 2.47 -9.42 -0.59 0
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385276 134978675 1 BCl2C4H7 AB2C4D7 -66.95 2.19 -9.81 -0.4 0
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385277 134978676 1 BSO4C13H27 ABC4D13E27 -294.43 4.36 -8.89 0.21 0
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385278 134978677 1 BBrO2C12H24 ABC2D12E24 -196.81 4.08 -9.42 0.1 0
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385279 134978678 1 BSO2C14H25 ABC2D14E25 -173.0 3.33 -8.34 0.92 0
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385280 134978685 1 O3C16H30 A3B16C30 -184.5 1.7 -9.88 0.72 0
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385281 134978688 2 OC5H10 AB5C10 -128.67 2.44 -9.81 0.62 0
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385282 134978692 1 ON2Si2C14H28 AB2C2D14E28 -140.55 3.77 -9.49 0.05 0
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385283 134978693 1 GeO2C12H26 AB2C12D26 -131.35 0.67 -8.77 1.68 0
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385284 134978694 1 BrGeO2C9H17 ABC2D9E17 -126.68 3.83 -9.97 -0.55 0
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385285 134978696 1 SiO2C10H24 AB2C10D24 -185.75 2.08 -9.26 1.22 0
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385286 134978701 1 SSnO3C11H16 ABC3D11E16 -86.61 4.34 -9.5 -0.16 0
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385287 134978702 1 SnN4O4C10H16 AB4C4D10E16 -75.91 4.42 -9.88 -0.71 2
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385288 134978703 1 SnN4O4C10H18 AB4C4D10E18 -47.24 8.87 -7.95 -1.61 0
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385289 134978704 1 PbC10H22 AB10C22 19.4 0.58 -8.64 0.77 0