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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41503 8146001 1 N3O4C22H29 A3B4C22D29 -170.48 3.9 -9.08 -0.05 0
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41504 8146003 1 ClO2N3C10H10 AB2C3D10E10 -27.98 1.62 -9.57 -0.83 1
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41505 8146004 1 N3O4C22H30 A3B4C22D30 -150.29 4.13 0.0 0.0 0
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41506 8146005 1 N3O4C22H29 A3B4C22D29 -171.44 2.17 -8.96 0.02 0
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41507 8146031 1 FON2H19C28 ABC2D19E28 48.78 3.46 -8.41 -1.1 0
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41508 8146033 1 N2O7C18H30 A2B7C18D30 -329.22 4.69 -9.13 0.2 1
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41509 8146037 1 O2S2N4C19H27 A2B2C4D19E27 -39.6 14.77 0.0 0.0 0
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41510 8146038 1 O2S2N4C19H26 A2B2C4D19E26 -28.01 4.8 -8.29 -0.9 0
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41511 8146039 1 ClS2N3H10C14 AB2C3D10E14 105.24 1.71 -8.32 -1.8 0
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41512 8146046 1 ClN2O4C17H19 AB2C4D17E19 -137.21 4.37 -9.21 -1.59 -1
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41513 8146047 1 ON7C12H14 AB7C12D14 129.04 14.13 0.0 0.0 0
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41514 8146057 1 ClON5H10C15 ABC5D10E15 88.23 3.72 -9.68 -1.24 0
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41515 8146058 1 NCl2O2S2H11C18 AB2C2D2E11F18 -3.77 4.67 -9.13 -1.49 0
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41516 8146060 1 O2S2N4C19H26 A2B2C4D19E26 -30.68 5.37 -8.26 -0.93 0
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41517 8146061 1 ClOSF2N2H9C15 ABCD2E2F9G15 -73.55 4.24 -9.57 -1.27 1
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41518 8146074 1 O2S2N4C20H29 A2B2C4D20E29 -40.13 12.12 0.0 0.0 0
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41519 8146078 1 OF2N2S3H12C18 AB2C2D3E12F18 -46.57 2.25 -8.75 -1.3 1
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41520 8146083 1 SN3O5C19H26 AB3C5D19E26 -121.18 9.39 0.0 0.0 1
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41521 8146093 1 S2O3N4C18H25 A2B3C4D18E25 -58.95 13.9 0.0 0.0 0
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41522 8146114 1 SO2N4C19H26 AB2C4D19E26 -37.63 4.3 -8.18 -0.23 0
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41523 8146119 1 FON3H18C19 ABC3D18E19 2.96 5.56 -9.22 -0.6 0
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41524 8146124 1 S2O3N4C18H24 A2B3C4D18E24 -51.59 4.45 -8.23 -0.94 0
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41525 8146137 1 O2N3C19H21 A2B3C19D21 -30.48 3.8 -9.03 -0.24 0
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41526 8146144 1 SO2N4C20H24 AB2C4D20E24 -17.74 4.45 -8.22 -0.97 0
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41527 8146147 1 SO2N4C20H24 AB2C4D20E24 -16.62 2.61 -8.19 -0.94 1
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41528 8146151 1 SO2N4C15H21 AB2C4D15E21 -8.47 5.5 0.0 0.0 0
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41529 8146158 1 OF3N4H9C14 AB3C4D9E14 -67.58 4.52 -9.59 -1.02 0
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41530 8146161 1 IO2N3C13H16 AB2C3D13E16 -37.24 1.55 -9.29 -0.91 0
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41531 8146162 1 O2N3C17H19 A2B3C17D19 -39.76 6.74 -8.72 -0.57 0
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41532 8146166 1 FON3C20H20 ABC3D20E20 -4.18 5.66 -9.21 -0.62 0
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41533 8146170 1 SO2N4C18H24 AB2C4D18E24 -25.25 4.34 -8.26 -0.61 1
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41534 8146171 1 SO2N4C18H25 AB2C4D18E25 -9.87 6.15 0.0 0.0 0
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41535 8146172 1 SO2N4C18H24 AB2C4D18E24 -23.34 5.04 -8.24 -0.52 0
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41536 8146173 1 SO3N5C18H19 AB3C5D18E19 -16.72 4.77 -9.42 -0.9 1
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41537 8146180 1 O2S2N4C19H27 A2B2C4D19E27 -38.54 14.34 0.0 0.0 1
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41538 8146183 1 SO2N5C16H24 AB2C5D16E24 -17.98 9.71 0.0 0.0 0
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41539 8146186 1 FSO2N3H18C21 ABC2D3E18F21 -11.6 2.96 -8.62 -1.16 1
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41540 8146202 1 SO2N5C18H26 AB2C5D18E26 11.7 4.82 0.0 0.0 0
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41541 8146210 1 ON4C18H20 AB4C18D20 42.07 0.7 -8.9 -0.84 0
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41542 8146214 1 FSN3O3C17H20 ABC3D3E17F20 -108.48 3.91 -8.84 -1.14 0
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41543 8146215 2 NOC6H8 ABC6D8 -9.05 8.86 -8.86 -0.74 1
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41544 8146222 1 SO2N5C18H26 AB2C5D18E26 5.33 4.71 0.0 0.0 1
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41545 8146225 1 N3O4C20H28 A3B4C20D28 -142.93 11.0 0.0 0.0 0
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41546 8146232 2 NOSH10C11 ABCD10E11 -10.39 4.17 -8.6 -0.95 0
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41547 8146234 1 N3O4C18H29 A3B4C18D29 -207.18 2.1 -8.94 0.4 0
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41548 8146244 1 N2S2O4C19H20 A2B2C4D19E20 -130.63 2.84 -9.02 -1.37 0
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41549 8146247 1 OSN4H16C20 ABC4D16E20 90.94 3.11 -8.8 -0.75 1
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41550 8146249 1 SN3O4C18H24 AB3C4D18E24 -89.24 5.43 0.0 0.0 0
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41551 8146250 1 SN3O4C18H23 AB3C4D18E23 -103.07 3.95 -8.61 -0.8 0
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41552 8146254 1 N2O2H16C17 A2B2C16D17 61.02 7.37 -8.91 -1.59 0
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41553 8146272 1 ClN3O4C20H26 AB3C4D20E26 -176.35 2.69 -9.25 -0.39 1
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41554 8146274 1 ClN3O4C20H27 AB3C4D20E27 -153.85 2.77 0.0 0.0 0
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41555 8146282 1 ON2C26H26 AB2C26D26 55.76 3.82 -9.24 -0.03 1
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41556 8146284 1 O2S2N4C17H25 A2B2C4D17E25 -12.47 5.9 0.0 0.0 0
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41557 8146285 1 O2S2N4C17H24 A2B2C4D17E24 -30.67 4.17 -8.27 -1.02 1
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41558 8146287 1 O2S2N4C17H25 A2B2C4D17E25 -11.48 6.33 0.0 0.0 0
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41559 8146300 1 SO2N3C17H23 AB2C3D17E23 -55.88 5.46 -8.13 -0.47 0
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41560 8146307 1 SO3N4C21H30 AB3C4D21E30 -81.48 6.42 -8.16 -0.34 1
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41561 8146308 1 SO3N4C21H31 AB3C4D21E31 -66.04 6.64 0.0 0.0 1
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41562 8146314 1 N2O4C18H23 A2B4C18D23 -132.8 6.1 0.0 0.0 0
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41563 8146321 1 ClSO2N4C18H23 ABC2D4E18F23 -33.88 1.62 -8.36 -0.78 1
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41564 8146322 1 ClSO2N4C19H26 ABC2D4E19F26 -29.22 3.91 0.0 0.0 0
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41565 8146323 1 ClSO2N4C19H25 ABC2D4E19F25 -45.62 3.1 -8.35 -0.83 0
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41566 8146327 1 ON4C17H18 AB4C17D18 44.42 1.48 -9.1 -0.87 0
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41567 8146329 1 SO2N4C19H26 AB2C4D19E26 -35.91 4.86 -8.28 -0.47 1
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41568 8146347 1 N2O4C16H21 A2B4C16D21 -125.3 3.88 0.0 0.0 0
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41569 8146349 1 SO2N3C21H25 AB2C3D21E25 -23.87 2.42 -8.55 -0.32 0
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41570 8146351 1 SCl2O2N4C15H18 AB2C2D4E15F18 -33.42 2.19 -8.5 -1.46 1
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41571 8146353 1 FN3O3C21H21 AB3C3D21E21 -45.86 7.67 0.0 0.0 0
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41572 8146354 1 FN3O3H20C21 AB3C3D20E21 -64.0 8.57 -9.02 -0.94 1
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41573 8146361 1 SO3N4C16H21 AB3C4D16E21 -34.2 8.37 0.0 0.0 0
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41574 8146363 1 ON4C13H18 AB4C13D18 11.0 1.99 -9.47 -0.79 0
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41575 8146365 1 Cl2N2O4C17H18 A2B2C4D17E18 -154.31 1.0 -9.28 -1.84 1
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41576 8146366 1 Cl2N2O4C17H19 A2B2C4D17E19 -151.99 13.71 0.0 0.0 0
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41577 8146367 1 Cl2N2O4C17H18 A2B2C4D17E18 -155.36 1.71 -9.22 -1.8 0