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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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173186 75608079 1 N11O15C33H53 A11B15C33D53 -482.76 11.4 -9.24 -0.71 0
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173187 75608080 1 N11O32C60H79 A11B32C60D79 -919.6 15.71 -9.29 -1.85 0
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173188 75608081 1 N3O13H33C40 A3B13C33D40 -352.1 7.22 -10.04 -1.18 0
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173189 75608082 1 N14O19C45H70 A14B19C45D70 -592.85 4.85 -9.05 -0.34 0
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173190 75608083 1 N3O10H27C28 A3B10C27D28 -193.93 7.34 -9.85 -1.67 0
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173191 75608084 1 N3O8C21H25 A3B8C21D25 -271.83 7.23 -8.78 -0.06 0
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173192 75608630 1 NO2F3H18C22 AB2C3D18E22 -160.5 4.96 -8.53 -1.23 0
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173193 75608631 1 NO2F3H20C23 AB2C3D20E23 -165.76 5.6 -8.53 -1.27 0
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173194 75609142 1 NS2O5H13C21 AB2C5D13E21 -75.85 2.89 -8.06 -1.75 2
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173195 75609228 1 N2O2C17H24 A2B2C17D24 -37.4 4.78 -7.01 -0.39 1
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173196 75609315 1 O6N7H22C25 A6B7C22D25 14.76 8.12 0.0 0.0 0
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173197 75609316 1 BrO5N7C22H24 AB5C7D22E24 -20.33 21.27 -8.02 -1.44 1
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173198 75609317 1 O5N7C22H24 A5B7C22D24 28.21 17.97 0.0 0.0 0
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173199 75609776 1 ClN2O5H19C23 AB2C5D19E23 -90.34 1.24 -8.69 -0.9 0
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173200 75609954 1 ClN4O4H11C15 AB4C4D11E15 0.41 5.28 -9.41 -1.79 0
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173201 75609955 1 IN2O3C32H45 AB2C3D32E45 -98.26 2.22 -8.74 -1.25 0
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173202 75609956 1 ON2C24H38 AB2C24D38 -43.18 5.32 -8.72 -0.42 0
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173203 75610570 1 BrO2N5H20C25 AB2C5D20E25 77.65 3.96 -8.59 -1.0 0
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173204 75610647 1 ClN2O2C19H21 AB2C2D19E21 -27.38 5.94 -9.08 -0.69 0
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173205 75610666 1 BrOSN3C13H18 ABCD3E13F18 10.94 4.91 -8.5 -0.53 0
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173206 75610667 1 IO3N5H22C26 AB3C5D22E26 55.46 6.36 -8.24 -1.44 0
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173207 75611486 1 N6O11C15H16 A6B11C15D16 -183.89 18.47 -9.13 -2.14 0
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173208 75611562 1 N2O3C18H18 A2B3C18D18 -50.88 7.59 -9.01 -0.01 0
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173209 75611578 1 OF2N3H11C12 AB2C3D11E12 -24.24 5.34 -10.24 -0.86 0
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173210 75611597 1 BrFN3O3C19H19 ABC3D3E19F19 -102.88 4.19 -9.02 -0.46 0
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173211 75611598 1 ClN2O3H19C26 AB2C3D19E26 -3.9 3.14 -8.92 -0.87 0
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173212 75611599 2 N3O4H8C9 A3B4C8D9 -40.91 9.07 -9.68 -1.74 0
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173213 75611600 1 N3O4C17H25 A3B4C17D25 -142.93 4.53 -8.78 -0.27 0
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173214 75611601 1 O2N4C19H28 A2B4C19D28 -60.07 5.06 -7.81 0.08 0
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173215 75611602 1 OCl2N7H15C19 AB2C7D15E19 172.98 5.22 -9.05 -1.98 0
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173216 75611603 1 FO2N3C15H20 AB2C3D15E20 -107.32 7.23 -9.3 -0.57 0
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173217 75611604 1 Cl2O3N4H18C19 A2B3C4D18E19 -74.7 6.09 -9.08 -1.05 0
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173218 75611605 1 N2O2C27H36 A2B2C27D36 -37.49 6.56 -8.72 -0.38 0
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173219 75611606 1 ClN4O6C21H23 AB4C6D21E23 -102.27 1.81 -8.3 -2.02 0
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173220 75611607 1 Br2O3N8H20C24 A2B3C8D20E24 113.88 6.17 -9.13 -1.75 0
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173221 75611608 1 OBr3N3C18H20 AB3C3D18E20 27.2 2.84 -9.03 -0.96 0
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173222 75611609 1 BrN5C19H20 AB5C19D20 121.12 8.2 -7.89 -0.66 0
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173223 75611610 1 Br2N3O3H13C20 A2B3C3D13E20 16.73 7.81 -9.35 -1.13 0
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173224 75611611 1 ON2F9H9C15 AB2C9D9E15 -410.92 7.11 -10.04 -2.15 0
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173225 75611612 1 N5O5C18H21 A5B5C18D21 -134.13 6.21 -10.06 -0.83 0
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173226 75611613 1 I2N2O3H14C21 A2B2C3D14E21 39.5 6.97 -8.76 -1.62 0
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173227 75611614 1 O3N8C13H16 A3B8C13D16 85.19 4.06 -9.31 -1.43 0
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173228 75611615 1 O3N8C10H14 A3B8C10D14 48.76 4.32 -9.24 -1.26 0
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173229 75611616 1 ClO5N7C15H16 AB5C7D15E16 44.24 1.04 -9.4 -1.26 0
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173230 75611617 1 FON7H22C24 ABC7D22E24 71.33 3.34 -8.64 -0.81 0
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173231 75611618 1 IBr2N2O4H11C14 AB2C2D4E11F14 -59.55 3.13 -9.22 -1.6 0
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173232 75611619 1 IO4N5C19H20 AB4C5D19E20 12.27 5.85 -9.05 -1.23 0
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173233 75611620 1 BrOF3N7H19C21 ABC3D7E19F21 -58.94 4.13 -9.12 -0.97 0
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173234 75611621 1 Br2N3O9H27C34 A2B3C9D27E34 -170.47 8.73 -8.74 -0.86 0
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173235 75611622 2 BrON2H10C12 ABC2D10E12 67.02 4.02 -9.28 -0.85 0