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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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339173 127260552 1 O5N7C15H23 A5B7C15D23 -159.99 5.32 -9.14 -0.57 0
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339174 127260553 1 BrSP2N7O16C25H30 ABC2D7E16F25G30 -727.34 8.98 -9.04 -1.93 1
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339175 127260554 1 BrSP2N7O16C25H31 ABC2D7E16F25G31 -689.3 9.43 0.0 0.0 0
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339176 127260555 1 BrNa2P2N5C10O10H12 AB2C2D5E10F10G12 -614.41 11.85 -9.11 -1.75 0
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339177 127260556 1 BrP2N5C10O10H14 AB2C5D10E10F14 -505.13 1.0 -9.63 -1.96 0
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339178 127260557 1 O2N3C17H25 A2B3C17D25 -76.27 3.8 -9.22 0.03 0
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339179 127260558 1 N2O4C13H20 A2B4C13D20 -173.49 5.29 -9.92 0.14 0
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339180 127260559 1 Cl2N2O2C7H18 A2B2C2D7E18 -172.47 1.37 -9.39 0.56 0
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339181 127260560 1 SN2O5C12H14 AB2C5D12E14 -178.17 8.91 -10.07 -1.25 0
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339183 127260562 1 NO4C24H35 AB4C24D35 -184.44 5.24 -8.9 -0.04 0
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339185 127260564 1 N2O2C19H28 A2B2C19D28 -38.77 2.35 -9.05 0.27 0
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339186 127260565 1 SO6C19H30 AB6C19D30 -290.81 4.55 -9.6 -0.8 0
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339187 127260566 1 NO2C19H31 AB2C19D31 -102.54 2.48 -9.72 0.88 0
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339190 127260569 1 Cl2N2O11C32H40 A2B2C11D32E40 -514.46 6.1 -9.16 -2.0 0
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339191 127260570 1 N2O11C32H38 A2B11C32D38 -442.94 2.28 -9.01 -1.86 0
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339192 127260571 1 BaN4O6C10H16 AB4C6D10E16 -467.78 3.05 -6.44 -1.2 0
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339193 127260572 1 NO2C49H91 AB2C49D91 -225.54 3.78 -8.77 -1.19 0
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339194 127260573 1 N2O4C21H24 A2B4C21D24 -130.41 6.75 -9.92 -0.35 0
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339195 127260574 2 NOSH10C13 ABCD10E13 25.67 6.61 -8.77 -1.24 0
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339196 127260575 2 NOSH12C14 ABCD12E14 40.93 6.78 -8.06 -1.02 0
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339199 127260578 1 ClN2O2C20H35 AB2C2D20E35 -136.86 4.02 -8.59 -0.04 0
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339200 127260579 2 O3N4C19H19 A3B4C19D19 -69.66 5.62 -8.35 -1.51 0
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339201 127260580 1 ClN2O4C18H31 AB2C4D18E31 -210.74 8.21 -9.03 -0.41 0
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339202 127260581 1 ClN2O4C17H29 AB2C4D17E29 -207.44 4.51 -8.94 -0.55 0
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339203 127260582 1 Cl2O2N7C26H27 A2B2C7D26E27 -36.85 8.6 -8.99 -0.7 0
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339204 127260583 1 NH23C25 AB23C25 88.38 2.7 -8.1 -0.84 0
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339205 127260584 1 FO2Cl3C11H16 AB2C3D11E16 -195.54 3.01 -10.98 -0.69 0
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339206 127260585 1 NS2C14H15 AB2C14D15 50.49 4.36 -7.93 -1.03 0
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339207 127260586 3 OC8H12 AB8C12 -138.71 4.41 -9.36 -0.05 0
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339208 127260587 1 OC15H26 AB15C26 -72.99 1.93 -9.56 1.08 0
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339209 127260588 1 O2C13H22 A2B13C22 -102.49 1.7 -9.91 0.77 0
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339210 127260589 1 NO2C15H17 AB2C15D17 -27.32 2.83 -8.86 -0.2 0
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339211 127260590 1 SO4C16H24 AB4C16D24 -188.0 3.77 -9.11 -0.6 0
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339212 127260591 1 SO3C10H12 AB3C10D12 -111.71 1.01 -8.97 -0.47 0
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339213 127260592 1 O2C15H26 A2B15C26 -118.14 4.28 -9.1 0.17 0
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339214 127260593 1 OSC11H20 ABC11D20 -68.58 2.63 -8.3 0.52 0
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339215 127260594 1 SiO2C12H24 AB2C12D24 -159.47 2.25 -9.77 1.12 0
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339216 127260595 1 BrSO3C13H17 ABC3D13E17 -121.65 5.26 -10.07 -0.83 0
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339217 127260596 1 IOC11H19 ABC11D19 -56.59 2.93 -9.46 -0.68 0
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339218 127260597 1 ClO3C12H19 AB3C12D19 -166.16 2.41 -10.25 -0.03 0
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339219 127260598 1 O2C15H20 A2B15C20 -66.76 3.35 -9.59 0.15 0
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339220 127260599 1 O2C15H20 A2B15C20 -67.97 2.59 -9.56 0.16 0
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339221 127260600 1 O2C9H16 A2B9C16 -111.43 2.57 -9.88 0.76 0
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339222 127260601 1 OC15H22 AB15C22 -47.98 1.86 -8.56 0.32 0
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339223 127260602 1 OSnC24H26 ABC24D26 35.16 1.93 -9.28 0.34 0
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339224 127260603 1 NOC9H19 ABC9D19 -71.72 3.36 -8.72 2.76 0
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339225 127260604 1 S2O6C33H34 A2B6C33D34 -183.47 4.99 -9.54 -0.88 0
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339226 127260605 1 OC12H24 AB12C24 -99.67 2.44 -9.92 2.97 0
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339227 127260606 1 OC12H24 AB12C24 -105.33 2.34 -9.95 2.94 0
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339228 127260607 1 SO3C17H26 AB3C17D26 -156.05 5.43 -9.49 -0.35 0
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339229 127260608 1 NO2C17H25 AB2C17D25 -115.17 2.19 -8.63 0.28 0
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339230 127260609 1 NO3C13H17 AB3C13D17 -120.65 1.91 -9.88 -0.38 0
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339231 127260610 1 OC18H28 AB18C28 -63.64 2.31 -9.09 0.47 0
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339232 127260611 1 NO2C17H31 AB2C17D31 -91.89 4.38 -8.54 0.83 0
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339233 127260612 1 O3C14H24 A3B14C24 -160.71 3.35 -10.02 0.3 0
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339234 127260613 1 O3C14H22 A3B14C22 -105.82 4.54 -10.2 0.2 0
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339235 127260614 1 O3C13H24 A3B13C24 -181.09 2.06 -10.3 0.74 0
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339236 127260615 1 NO4C17H23 AB4C17D23 -113.45 5.2 -9.96 -1.52 0
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339237 127260616 1 O5H18C20 A5B18C20 -156.31 2.52 -10.05 -0.66 0
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339238 127260617 1 O5H18C20 A5B18C20 -159.3 1.49 -10.05 -0.64 0
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339239 127260618 1 O3H22C26 A3B22C26 -30.29 3.56 -8.75 -0.18 0
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339240 127260619 1 O7H30C36 A7B30C36 -141.83 4.2 -8.83 -0.77 0
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339241 127260620 1 ON2H36C44 AB2C36D44 142.33 3.67 -8.05 -0.5 0
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339242 127260621 1 O3C33H44 A3B33C44 -109.73 4.17 -8.68 -0.31 0
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339243 127260622 1 O7C28H30 A7B28C30 -244.73 2.55 -8.95 -0.48 0
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339244 127260623 1 O3C26H26 A3B26C26 -39.57 4.54 -8.89 -0.39 0
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339245 127260624 1 ON2H32C36 AB2C32D36 118.39 3.39 -7.96 -0.53 0
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339246 127260625 2 OC7H13 AB7C13 -138.66 3.7 -9.28 0.76 0
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339247 127260626 2 OC7H13 AB7C13 -136.49 3.93 -9.25 0.8 0
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339248 127260627 1 NOC12H19 ABC12D19 -50.9 2.82 -8.31 0.53 0
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339249 127260628 1 OC11H18 AB11C18 -63.2 3.23 -9.76 0.34 0
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339250 127260629 1 BrOC10H17 ABC10D17 -76.08 4.99 -9.87 -0.11 0
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339251 127260630 1 OC13H18 AB13C18 -40.65 3.29 -9.46 0.21 0
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339252 127260631 1 NOSC14H15 ABCD14E15 -9.47 1.99 -8.07 -0.31 0
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339253 127260632 1 OC20H22 AB20C22 -19.11 2.85 -8.99 0.29 0
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339254 127260633 1 O3C11H18 A3B11C18 -163.25 4.87 -9.98 0.19 0
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339255 127260634 1 O3C9H14 A3B9C14 -149.93 4.72 -10.02 0.13 0
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339256 127260635 1 O3C9H14 A3B9C14 -150.18 4.57 -9.99 0.15 0
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339257 127260636 1 O3C14H16 A3B14C16 -117.17 3.09 -9.53 0.19 0
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339258 127260637 1 O3C9H14 A3B9C14 -150.31 3.55 -9.91 0.46 0
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339259 127260638 1 O3C9H14 A3B9C14 -151.32 3.7 -9.95 0.43 0
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339260 127260639 1 O3C12H20 A3B12C20 -162.13 4.31 -9.92 0.07 0
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339261 127260640 1 O3C12H20 A3B12C20 -164.04 3.87 -9.91 0.15 0
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339262 127260641 1 O3C9H14 A3B9C14 -149.58 4.18 -9.94 0.14 0
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339263 127260642 1 BrOC8H11 ABC8D11 -39.42 3.6 -10.04 -0.3 0
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339264 127260643 1 OC10H14 AB10C14 -26.33 3.4 -9.76 0.13 0
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339265 127260644 1 OSC13H16 ABC13D16 -28.03 3.53 -8.58 0.3 0
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339266 127260645 1 OSC13H16 ABC13D16 -28.46 3.45 -8.56 0.15 0
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339267 127260646 1 OC17H26 AB17C26 -54.54 3.29 -9.74 0.07 0
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339268 127260647 1 OC15H22 AB15C22 -50.5 3.79 -9.5 0.25 0
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339269 127260648 1 OC14H20 AB14C20 -39.22 3.26 -9.41 0.2 0
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339270 127260649 1 NOSC17H19 ABCD17E19 -6.11 1.32 -7.86 -0.44 0
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339271 127260650 1 OC15H22 AB15C22 -53.88 3.56 -9.12 0.21 0
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339272 127260651 1 OC14H20 AB14C20 -50.29 3.14 -9.14 0.28 0
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339273 127260652 1 O2H18C19 A2B18C19 -11.98 4.26 -8.76 -0.7 0
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339274 127260653 1 OC14H20 AB14C20 -45.61 2.93 -9.46 0.26 0
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339275 127260654 1 NO2C16H21 AB2C16D21 -74.01 7.0 -8.52 -0.24 0
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339276 127260655 1 NS2O5C13H15 AB2C5D13E15 -117.52 8.9 -8.89 -1.02 0
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339277 127260656 1 NO2C15H19 AB2C15D19 -41.17 2.54 -9.41 -0.1 0
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339278 127260657 1 O2C11H18 A2B11C18 -104.2 4.22 -9.64 -0.05 0