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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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380188 134970544 1 H2C3Cl4 A2B3C4 -5.47 1.73 -10.57 -0.53 0
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380190 134970546 1 SnC22H38 AB22C38 -7.27 0.56 -9.3 0.48 0
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380191 134970547 1 SnH26C28 AB26C28 135.11 0.4 -9.34 0.4 0
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380192 134970548 1 LiNSiO3C15H22 ABCD3E15F22 -196.02 9.21 -9.02 -0.15 0
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380193 134970549 1 O3C27H28 A3B27C28 -82.75 5.08 -9.46 -0.02 0
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380194 134970551 1 NO3H23C26 AB3C23D26 -38.07 7.57 -9.33 -0.27 0
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380195 134970553 2 SO2C10H15 AB2C10D15 -175.82 4.56 -8.75 0.13 0
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380196 134970556 2 SO2C10H15 AB2C10D15 -175.66 3.57 -8.7 0.16 0
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380197 134970557 2 SO2C10H15 AB2C10D15 -175.68 2.89 -8.66 0.21 0
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380198 134970559 1 ClN4H9C14 AB4C9D14 99.43 2.18 -8.82 -0.92 0
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380200 134970562 1 SiO4C26H38 AB4C26D38 -219.2 1.62 -8.98 0.07 0
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380201 134970563 1 N7O12C43H75 A7B12C43D75 -528.71 9.54 -9.07 0.04 0
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380202 134970564 1 O2C15H16 A2B15C16 -17.85 4.36 -9.92 -0.27 0
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380203 134970565 1 NO6H19C20 AB6C19D20 -111.13 8.25 -9.5 -1.23 0
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380204 134970566 1 O4H22C25 A4B22C25 -79.84 2.85 -9.6 -0.63 0
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380205 134970567 1 NO4H19C23 AB4C19D23 3.91 6.74 -9.68 -1.32 0
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380206 134970568 1 O2H22C27 A2B22C27 27.01 1.54 -8.74 -0.4 0
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380207 134970569 1 SO2H18C21 AB2C18D21 12.65 1.43 -9.13 -0.29 0
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380208 134970570 1 O4H22C25 A4B22C25 -79.53 2.96 -9.58 -0.65 0
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380209 134970571 1 NO6H21C25 AB6C21D25 -85.11 6.82 -9.91 -1.48 0
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380210 134970572 1 O4C17H22 A4B17C22 -148.45 1.41 -9.49 0.22 0
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380211 134970573 1 O4H18C19 A4B18C19 -97.0 0.92 -9.47 0.01 0
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380212 134970574 2 OC7H9 AB7C9 -54.54 3.19 -9.18 0.54 0
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380213 134970576 1 SnO2C9H18 AB2C9D18 -74.51 1.97 -10.15 0.88 0
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380214 134970577 1 SnO2C18H36 AB2C18D36 -116.35 1.8 -9.57 0.82 0
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380215 134970578 1 SiSnO2C21H44 ABC2D21E44 -159.37 2.12 -9.41 0.93 0
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380216 134970579 1 SnC23H40 AB23C40 -13.97 0.44 -9.22 0.51 0
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380217 134970580 1 SnC25H42 AB25C42 3.39 0.69 -9.29 0.46 0
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380218 134970585 1 O3C7H12 A3B7C12 -132.54 2.61 -9.84 1.64 0
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380219 134970586 2 SiO3C23H28 AB3C23D28 -276.77 7.36 -9.07 -0.14 0
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380220 134970590 1 O4C11H12 A4B11C12 -111.66 2.2 -9.48 0.12 0
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380221 134970591 1 O4C15H28 A4B15C28 -236.11 0.2 -10.34 0.71 0
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380222 134970592 1 SO5C15H20 AB5C15D20 -177.07 5.06 -10.14 -0.53 0
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380223 134970593 1 SN4C5H10 AB4C5D10 95.86 3.89 -8.67 -1.04 0
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380224 134970594 2 FOC6H9 ABC6D9 -180.48 3.02 -10.85 -0.5 0
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380225 134970599 1 O3C13H16 A3B13C16 -104.51 4.87 -9.35 -0.53 0
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380226 134970600 1 S2O3C23H36 A2B3C23D36 -165.62 3.59 -8.92 -0.11 0
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380227 134970603 3 OC7H8 AB7C8 -75.62 3.66 -9.11 0.16 0
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380228 134970604 1 O2C9H16 A2B9C16 -86.79 2.94 -9.5 1.78 0
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380229 134970605 1 SO2C10H14 AB2C10D14 -89.97 2.04 -9.34 -0.47 0
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380230 134970606 1 BrNO7C32H40 ABC7D32E40 -289.52 6.36 -9.21 -0.75 0
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380231 134970607 2 O2C15H18 A2B15C18 -111.57 4.19 -9.04 0.06 0
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380232 134970608 1 OPC18H19 ABC18D19 -5.3 0.75 -8.69 0.29 0
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380233 134970609 1 IO4C15H19 AB4C15D19 -146.5 6.43 -9.56 -1.49 0
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380234 134970612 1 SN2O13C22H34 AB2C13D22E34 -560.67 3.12 -9.27 -0.16 0
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380235 134970613 1 SN3O13C28H39 AB3C13D28E39 -526.64 3.3 -8.91 -0.09 0
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380236 134970615 2 O2C7H8 A2B7C8 -112.91 4.07 -9.36 -1.69 0
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380237 134970616 1 NF4O4H13C14 AB4C4D13E14 -315.32 8.11 -9.8 -1.3 0
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380238 134970617 1 FN4O7H19C25 AB4C7D19E25 -247.03 10.2 -9.89 -1.59 0
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380239 134970618 1 FN7O7C29H32 AB7C7D29E32 -271.46 12.52 -9.72 -1.13 0
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380240 134970619 1 SiO3C13H28 AB3C13D28 -193.3 1.94 -9.25 1.2 0
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380241 134970620 1 O5C12H12 A5B12C12 -166.77 4.0 -9.09 -0.72 0
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380242 134970621 2 O2C13H17 A2B13C17 -174.6 1.89 -8.98 -0.54 -1
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380243 134970622 1 NRh2O4C5H8 AB2C4D5E8 -147.32 4.39 0.0 0.0 0
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380244 134970624 1 O2C13H20 A2B13C20 -91.84 3.22 -9.32 0.37 0
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380245 134970625 1 O2C21H26 A2B21C26 -45.92 2.28 -9.09 0.32 0
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380246 134970627 1 O4C27H44 A4B27C44 -238.64 2.52 -9.76 2.18 0
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380247 134970629 1 NOC9H13 ABC9D13 -18.98 2.57 -10.37 -0.92 0
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380248 134970630 1 FN4O5C17H17 AB4C5D17E17 -211.01 5.94 -10.05 -1.54 0
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380249 134970633 1 FN5O5C23H32 AB5C5D23E32 -243.49 4.45 -9.78 -0.9 0
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380250 134970634 1 FN5O7C31H34 AB5C7D31E34 -290.94 11.71 -9.82 -1.47 0
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380251 134970636 1 SiO3C14H32 AB3C14D32 -240.33 2.15 -9.14 1.29 0
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380252 134970637 1 O2C21H34 A2B21C34 -96.73 1.98 -8.71 0.33 0
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380253 134970638 1 O2C21H34 A2B21C34 -98.38 2.45 -8.62 0.37 0
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380254 134970639 1 O4H18C19 A4B18C19 -104.69 3.28 -9.38 -0.9 0
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380255 134970640 1 NSO9C15H19 ABC9D15E19 -371.72 3.35 -9.33 -0.51 0
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380256 134970641 1 NSO10C21H23 ABC10D21E23 -388.8 4.72 -8.77 -0.95 0
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380257 134970642 1 ClO2C17H17 AB2C17D17 -51.57 5.74 -9.87 -0.84 1
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380258 134970643 1 C2N2O2H5 A2B2C2D5 -31.84 3.83 0.0 0.0 0
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380259 134970645 2 O2C11H12 A2B11C12 -132.31 3.02 -9.34 -0.62 0
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380260 134970646 1 P3C21H35 A3B21C35 43.63 1.18 -8.1 1.08 0
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380261 134970649 1 BrO3C17H19 AB3C17D19 -116.97 4.22 -9.36 -0.3 0
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380262 134970650 1 O2C15H28 A2B15C28 -97.98 0.48 -9.9 1.28 0
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380263 134970652 1 ClNO2H10C12 ABC2D10E12 -26.9 4.29 -8.73 -1.2 0
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380264 134970653 1 LiO2C12H13 AB2C12D13 -55.22 5.9 -7.65 -0.49 0
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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