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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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380265 134970654 2 OC6H7 AB6C7 -30.78 1.94 -8.85 0.24 0
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380266 134970658 1 NO5C15H25 AB5C15D25 -225.13 2.8 -11.13 0.0 0
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380267 134970659 1 NSiO3C20H31 ABC3D20E31 -160.58 4.08 -8.78 -1.39 0
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380268 134970665 1 NO7C24H29 AB7C24D29 -271.11 4.57 -9.69 -0.15 0
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380269 134970667 1 N2S2O7C14H16 A2B2C7D14E16 -239.24 3.82 -9.3 -0.7 0
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380270 134970670 1 C2N2O2H3 A2B2C2D3 4.17 4.64 0.0 0.0 0
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380271 134970671 1 BrO3C22H23 AB3C22D23 -71.53 4.85 -8.47 -0.14 0
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380272 134970673 1 O2C15H28 A2B15C28 -102.02 1.05 -9.64 1.22 0
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380273 134970674 1 BrF2O2H11C13 AB2C2D11E13 -126.75 1.81 -9.77 -0.66 0
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380274 134970676 1 NSi2O3C17H27 AB2C3D17E27 -165.53 2.86 -9.16 -0.48 0
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380275 134970677 1 N2O2C9H14 A2B2C9D14 -37.17 1.1 -9.62 -0.58 1
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380276 134970678 1 N2O2C9H15 A2B2C9D15 -26.67 3.64 0.0 0.0 0
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380277 134970680 1 O4C17H26 A4B17C26 -185.66 1.75 -9.35 0.34 0
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380278 134970681 1 O5C19H28 A5B19C28 -231.97 3.24 -9.19 0.48 0
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380279 134970682 1 Cl2O2C5H10 A2B2C5D10 -132.22 1.18 -10.75 0.28 0
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380280 134970683 1 ClNO2C8H12 ABC2D8E12 -93.89 4.36 -10.37 -0.04 0
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380281 134970685 2 O2C9H13 A2B9C13 -168.29 1.07 -9.39 0.32 0
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380282 134970687 1 NOSiC21H37 ABCD21E37 -109.82 1.72 -8.62 0.18 0
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380283 134970688 1 NSiF3O3C31H44 ABC3D3E31F44 -316.11 2.75 -8.82 -0.17 0
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380284 134970692 1 N2O5C29H32 A2B5C29D32 -95.84 3.84 -9.31 0.11 0
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380285 134970693 2 NO4C8H10 AB4C8D10 -321.47 3.34 -10.15 -0.7 0
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380286 134970694 1 PO2N4C18H39 AB2C4D18E39 -160.21 1.62 -7.99 0.79 1
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380287 134970695 1 PO2N4C18H40 AB2C4D18E40 -153.65 1.99 0.0 0.0 0
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380288 134970696 1 PN2O5C41H57 AB2C5D41E57 -174.34 6.06 -8.27 0.19 1
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380289 134970697 1 PN2O5C41H58 AB2C5D41E58 -174.98 7.69 0.0 0.0 -1
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380290 134970698 1 N2O4C29H29 A2B4C29D29 37.43 4.62 0.0 0.0 0
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380291 134970699 1 N2O4C29H30 A2B4C29D30 -10.72 3.74 -9.54 -1.44 -1
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380292 134970701 1 N2O2C22H25 A2B2C22D25 -4.77 5.08 0.0 0.0 0
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380293 134970702 2 NOC11H13 ABC11D13 -24.03 5.74 -9.02 -0.29 -1
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380294 134970703 1 N2O4C36H37 A2B4C36D37 -66.56 2.98 0.0 0.0 0
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380295 134970704 2 NO2C18H19 AB2C18D19 -86.66 3.08 -9.06 -0.15 0
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380296 134970705 1 SiN3O5C22H35 AB3C5D22E35 -199.26 4.17 -8.86 -0.01 0
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380297 134970706 1 N3O5C16H21 A3B5C16D21 -130.2 4.31 -9.61 -0.29 0
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380298 134970707 1 SSiO8C23H38 ABC8D23E38 -407.02 3.8 -8.73 -0.16 0
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380299 134970708 1 SiO6C22H36 AB6C22D36 -323.9 2.63 -8.72 0.16 0
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380300 134970709 1 O2N4C39H62 A2B4C39D62 -110.92 2.68 -8.54 0.43 0
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380301 134970711 1 SiC9H20 AB9C20 -44.19 0.25 -9.55 1.62 0
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380303 134970713 1 OC8H16 AB8C16 -65.63 2.39 -10.01 2.47 0
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380304 134970714 1 F2O2H12C13 A2B2C12D13 -128.81 3.08 -9.8 -0.55 0
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380305 134970715 1 NO7C14H19 AB7C14D19 -260.16 4.22 -9.04 -0.25 1
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380306 134970716 1 NO4C19H22 AB4C19D22 -64.38 1.61 0.0 0.0 0
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380307 134970717 1 ON2C20H23 AB2C20D23 33.6 4.26 0.0 0.0 0
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380308 134970718 1 INOC9H15 ABCD9E15 -0.86 1.7 0.0 0.0 0
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380309 134970719 1 Si5O7C46H100 A5B7C46D100 -684.64 4.32 -8.69 0.45 0
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380310 134970720 1 Si5O7C52H112 A5B7C52D112 -704.03 1.94 -8.7 0.99 0
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380311 134970721 1 Si5O7C52H112 A5B7C52D112 -714.7 3.23 -8.71 0.9 0
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380312 134970722 3 OC4H8 AB4C8 -190.16 2.16 -9.92 1.77 0
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380313 134970723 1 ClNO2C15H18 ABC2D15E18 -82.35 4.97 -9.32 -0.22 0
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380314 134970724 1 NSCl3O6C25H28 ABC3D6E25F28 -234.34 3.97 -8.86 -0.56 0
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380315 134970725 1 NSCl3O7C27H32 ABC3D7E27F32 -295.35 3.22 -9.05 -0.46 0
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380316 134970726 1 O10C21H26 A10B21C26 -421.41 1.03 -9.42 0.26 0
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380317 134970727 1 SO5C22H26 AB5C22D26 -162.93 1.17 -8.65 -0.1 0
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380318 134970728 1 SN3O4C22H25 AB3C4D22E25 -43.64 2.77 -9.09 -0.12 0
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380319 134970729 1 SO8C21H28 AB8C21D28 -340.96 3.09 -8.92 0.27 0
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380320 134970730 1 SO5C15H22 AB5C15D22 -200.91 4.5 -9.31 -0.06 0
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380321 134970731 1 SN3O5C24H29 AB3C5D24E29 -99.46 2.32 -8.8 -0.02 0
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380322 134970732 1 SN3O5C24H29 AB3C5D24E29 -101.86 3.69 -9.31 -0.24 0
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380323 134970733 1 NSO5C24H31 ABC5D24E31 -179.46 3.78 -8.72 -0.14 0
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380324 134970734 1 SN3O5C24H31 AB3C5D24E31 -138.86 1.6 -9.1 0.14 0
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380325 134970735 1 SN3O5C24H31 AB3C5D24E31 -121.77 3.75 -8.89 0.23 0
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380326 134970736 2 ClN2O2H4C10 AB2C2D4E10 1.74 5.5 -8.69 -2.19 1
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380328 134970738 1 Cl2N4C37H39 A2B4C37D39 250.88 5.88 0.0 0.0 0
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380329 134970739 1 Cl2N4C37H40 A2B4C37D40 143.25 2.32 -8.4 -1.19 -1
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380330 134970740 1 O2N4C37H41 A2B4C37D41 75.86 3.62 0.0 0.0 0
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380331 134970741 1 O2N4C37H42 A2B4C37D42 61.35 3.92 -8.09 -1.34 0
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380332 134970742 1 NO3C15H19 AB3C15D19 -116.45 4.55 -10.32 0.03 0
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380334 134970745 1 O3C14H24 A3B14C24 -156.82 2.47 -9.89 0.99 -1
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380335 134970746 1 YC11H15 AB11C15 47.37 19.66 -4.67 -1.79 0
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380336 134970747 1 BrNO3C15H16 ABC3D15E16 -106.76 4.35 -9.74 -0.56 0
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380337 134970748 1 BO3C12H19 AB3C12D19 -99.25 4.58 -7.52 0.2 0
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380338 134970749 1 BO3C9H15 AB3C9D15 -107.87 2.67 -6.96 0.59 0
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380339 134970753 2 OC10H15 AB10C15 -107.44 6.47 -9.28 -0.38 0
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380340 134970754 2 OC10H15 AB10C15 -112.61 6.88 -9.12 -0.36 0
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380341 134970755 1 O3C20H30 A3B20C30 -157.42 5.64 -9.08 -0.8 0
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380342 134970757 1 LiO4C14H15 AB4C14D15 -111.08 8.02 -7.63 0.56 0