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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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388209 134988511 1 OBr2C6H10 AB2C6D10 -35.17 3.16 -9.45 -0.8 0
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388210 134988512 1 ClSC14H19 ABC14D19 1.75 2.93 -8.42 -0.02 0
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388211 134988513 1 OF2C3H4 AB2C3D4 -119.16 1.61 -9.71 0.47 0
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388212 134988514 1 SCl2C6H8 AB2C6D8 7.3 2.2 -8.88 -0.37 0
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388213 134988515 1 Cl2S2C9H12 A2B2C9D12 51.19 2.15 -8.37 -0.98 0
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388214 134988516 1 ClFNC5H9 ABCD5E9 -43.89 2.94 -7.96 1.01 0
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388215 134988517 1 SO2C9H14 AB2C9D14 -90.28 1.8 -8.9 0.24 0
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388216 134988518 1 NC14H19 AB14C19 15.63 2.46 -9.4 0.34 0
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388217 134988525 1 OPN2C13H13 ABC2D13E13 -17.65 2.06 -9.6 0.07 0
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388218 134988526 1 OSiN3C14H31 ABC3D14E31 -45.33 0.56 -8.13 1.04 0
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388219 134988528 1 Cl3O3C7H13 A3B3C7D13 -163.89 2.57 -10.08 -0.53 1
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388220 134988532 1 NSO4C11H22 ABC4D11E22 -183.83 3.71 0.0 0.0 0
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388221 134988533 1 SbN2Cl6C7H17 AB2C6D7E17 -149.16 16.14 -10.42 -1.82 0
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388222 134988534 1 OS2C11H12 AB2C11D12 8.18 4.89 -8.62 -0.08 0
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388223 134988535 1 IOSC10H11 ABCD10E11 6.0 4.01 -8.74 -0.48 0
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388224 134988540 1 ClNOC10H16 ABCD10E16 -31.53 5.44 -8.68 0.34 0
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388225 134988542 1 NOSeC11H14 ABCD11E14 -4.2 2.18 0.0 0.0 0
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388226 134988544 1 OSN3C8H9 ABC3D8E9 15.1 5.53 -8.81 -0.75 0
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388227 134988551 1 SeO2F3C12H13 AB2C3D12E13 -226.66 4.53 -8.81 -0.43 0
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388228 134988552 1 NF2O2C12H21 AB2C2D12E21 -207.34 4.44 -10.11 0.04 0
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388229 134988559 1 BrClOSC11H12 ABCDE11F12 -12.64 3.01 -8.53 -0.45 0
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388230 134988560 2 OC2F2H2 AB2C2D2 -294.13 1.52 -11.12 -0.55 0
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388231 134988565 1 FSH15C16 ABC15D16 7.22 2.67 -8.92 -0.28 0
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388232 134988569 2 NOC6H8 ABC6D8 -15.8 5.39 -9.25 -1.0 0
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388233 134988571 1 NC11H11 AB11C11 60.4 3.81 -9.69 0.06 0
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388234 134988575 1 SO2C13H20 AB2C13D20 -99.98 2.67 -8.63 0.38 0
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388235 134988577 1 BrN3C11H18 AB3C11D18 45.92 13.45 -7.76 -0.13 0
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388236 134988580 1 O2Cl3C5H9 A2B3C5D9 -115.97 5.02 -10.34 -0.27 0
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388237 134988585 1 NSeC16H17 ABC16D17 63.94 1.43 -8.49 -0.25 0
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388238 134988591 2 SO2C5H7 AB2C5D7 -156.67 5.07 -9.15 0.13 0
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388239 134988592 1 PSO4C9H21 ABC4D9E21 -257.7 4.31 -9.59 1.63 0
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388240 134988596 1 BrO4C11H17 AB4C11D17 -193.6 6.77 -10.61 -0.97 0
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388241 134988605 1 PO2Cl3C6H10 AB2C3D6E10 -154.71 5.21 -10.37 -0.84 0
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388242 134988623 1 OC10H16 AB10C16 -43.63 3.81 -9.52 0.09 0
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388243 134988624 1 ClNSC15H18 ABCD15E18 25.02 4.44 -8.72 -0.64 0
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388244 134988632 1 ClNO2Si2C13H22 ABC2D2E13F22 -129.82 1.76 -9.12 -0.48 0
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388245 134988640 2 ON2C6H10 AB2C6D10 24.64 0.63 -8.18 -0.92 0
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388246 134988641 1 N2O2C10H19 A2B2C10D19 -32.65 3.71 0.0 0.0 0
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388247 134988642 1 O5C8H12 A5B8C12 -209.74 2.89 -9.89 -0.82 0
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388248 134988648 1 BrO2C12H17 AB2C12D17 -62.54 3.32 -9.04 -0.17 0
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388249 134988650 1 Se3C11H14 A3B11C14 32.52 1.84 -8.18 -0.31 0
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388250 134988651 1 SO2C12H22 AB2C12D22 -121.39 3.01 -9.61 -0.17 0
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388251 134988652 1 NO2C15H21 AB2C15D21 -74.92 4.44 -8.41 0.11 0
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388252 134988653 2 OSC3H3 ABC3D3 -39.56 2.89 -9.35 -1.2 0
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388253 134988654 1 NF3O3C12H18 AB3C3D12E18 -293.31 5.5 -10.44 -0.08 0
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388254 134988655 1 NO4C11H13 AB4C11D13 -150.02 5.33 -9.22 -0.22 0
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388255 134988656 1 NO3C14H19 AB3C14D19 -126.26 4.25 -9.45 -0.68 0
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388256 134988657 1 O2C13H22 A2B13C22 -94.89 2.5 -8.01 0.52 0
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388257 134988658 1 IOPC10H20 ABCD10E20 -55.64 2.88 -8.54 -0.95 0
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388258 134988659 1 OC8H10 AB8C10 -11.81 3.1 -9.75 0.56 0
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388259 134988660 1 OF3C11H18 AB3C11D18 -213.31 4.05 0.0 0.0 0
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388260 134988661 1 OF6H8C9 AB6C8D9 -342.04 6.11 -11.01 -1.02 0
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388261 134988662 1 OPBr3C6H10 ABC3D6E10 -72.94 3.71 -9.4 -0.84 0
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388262 134988663 1 OSCl2C9H12 ABC2D9E12 -9.07 2.28 -8.39 -0.96 0
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388263 134988664 1 OC10H14 AB10C14 -20.19 2.44 -9.67 0.79 0
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388264 134988665 1 NOCl2H3C4 ABC2D3E4 -24.55 1.07 -10.06 -0.9 0
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388265 134988666 1 SO2C14H18 AB2C14D18 -70.37 3.04 -8.86 0.32 0
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388266 134988667 1 OS2C14H24 AB2C14D24 -48.0 5.33 -8.36 0.27 0
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388267 134988668 2 OSC3H6 ABC3D6 -92.09 8.02 -8.19 0.74 0
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388268 134988669 1 ClSO4C10H11 ABC4D10E11 -138.76 6.6 -9.6 -1.28 0
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388269 134988670 1 SO3C10H16 AB3C10D16 -127.32 5.4 -8.49 0.47 0
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388270 134988671 1 SC11H16 AB11C16 28.14 2.06 -8.55 0.69 0
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388271 134988672 1 NS2O3C12H17 AB2C3D12E17 -98.16 4.41 -9.2 -0.63 0
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388272 134988673 2 NNaPC2H4O4 ABCD2E4F4 -546.66 1.03 -9.08 0.61 0
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388273 134988674 2 NPC2O4H5 ABC2D4E5 -434.66 1.45 -10.52 -0.38 0
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388274 134988675 1 PO4C11H19 AB4C11D19 -217.3 3.06 -9.48 -0.31 0
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388275 134988676 1 PSO3C10H15 ABC3D10E15 -140.53 5.3 -8.88 -0.12 0
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388276 134988677 1 SSiC15H24 ABC15D24 -8.04 1.66 -8.08 0.52 0
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388277 134988678 2 SC6H11 AB6C11 0.69 1.85 -8.8 -1.01 0
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388278 134988679 1 OS2C10H18 AB2C10D18 -42.85 2.33 -8.88 -1.08 0
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388279 134988680 1 SSeC12H16 ABC12D16 30.28 1.23 -8.59 -0.87 0
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388280 134988681 1 NPSO4C9H20 ABCD4E9F20 -244.22 3.19 -8.54 -0.17 0
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388281 134988682 1 NSO7C9H17 ABC7D9E17 -281.48 5.58 -10.01 -0.4 0
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388282 134988683 1 NSC16H17 ABC16D17 56.52 0.94 -8.72 0.03 0
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388283 134988684 1 NOC10H13 ABC10D13 23.84 1.86 -9.87 0.32 0
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388284 134988685 1 SiO2C16H30 AB2C16D30 -146.34 1.97 -8.96 -0.11 0
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388285 134988691 1 SiO2C15H28 AB2C15D28 -146.52 5.21 -9.3 0.93 0
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388286 134988695 1 OF2C11H12 AB2C11D12 -107.2 3.3 -8.86 -0.42 0
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388288 134988698 1 ClSC11H11 ABC11D11 47.69 1.77 -8.91 -0.62 0
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388289 134988699 1 ClSC14H19 ABC14D19 0.75 2.79 -8.43 -0.02 0
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388290 134988700 1 SCl3H11C12 AB3C11D12 32.63 2.77 -9.08 -0.81 0
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388291 134988701 1 OPCl2C12H23 ABC2D12E23 -124.47 3.84 -8.68 0.28 0
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388292 134988703 1 SO3C11H12 AB3C11D12 -79.46 2.61 -9.32 -1.4 0
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388293 134988704 1 SO2C6H8 AB2C6D8 -66.15 4.41 -9.12 -0.14 0
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388294 134988705 1 NSC13H23 ABC13D23 12.13 4.18 -8.43 -0.56 0
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388295 134988706 2 SC4H6 AB4C6 17.01 3.13 -8.65 -0.89 0
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388296 134988708 1 NC14H17 AB14C17 45.96 2.12 -9.41 0.29 0
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388297 134988709 1 N2C9H18 A2B9C18 24.73 2.6 -7.9 0.76 0
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388298 134988711 1 NC14H19 AB14C19 11.36 2.26 -9.29 0.44 0
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388299 134988712 1 SiN2C11H18 AB2C11D18 9.29 0.79 -9.0 -0.23 0
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388300 134988713 1 SO4C10H12 AB4C10D12 -135.67 6.51 -9.04 -1.13 0
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388301 134988717 1 S3O4C7H12 A3B4C7D12 -130.24 4.77 -9.02 0.44 0
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388302 134988720 1 NOSC13H19 ABCD13E19 3.9 3.37 -8.41 -0.43 0
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388303 134988721 1 OS2C8H16 AB2C8D16 -60.85 4.25 -8.81 -1.0 0
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388304 134988727 1 SiO2C14H20 AB2C14D20 -96.04 5.07 -9.45 0.3 0
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388305 134988729 1 INOSC6H14 ABCDE6F14 -18.21 1.46 -8.88 -1.26 0
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388306 134988736 1 Si2O3C13H20 A2B3C13D20 -152.91 5.48 -8.26 -0.8 0
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388307 134988739 1 ClOSN2C10H11 ABCD2E10F11 26.03 2.64 -9.22 -0.88 0
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388308 134988743 1 OC12H20 AB12C20 -46.89 2.68 -9.77 0.63 0
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388309 134988744 1 ClSO2H9C10 ABC2D9E10 -52.46 4.57 -9.2 -0.73 0