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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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169419 75103018 1 SO2F3N5H18C19 AB2C3D5E18F19 -173.85 2.17 -8.56 -1.21 0
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169420 75103019 1 SO3N5C19H21 AB3C5D19E21 -60.94 3.0 -8.38 -0.79 0
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169421 75103020 1 OSF3N6C20H21 ABC3D6E20F21 -132.56 0.82 -8.38 -1.17 0
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169422 75103021 1 NO5C19H21 AB5C19D21 -142.2 5.86 -9.2 -0.62 0
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169423 75103022 1 NO3C17H19 AB3C17D19 -47.04 3.72 -8.81 -0.12 0
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169424 75103074 1 SN2F3O3H25C26 AB2C3D3E25F26 -216.65 3.99 -8.93 -1.33 0
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169425 75103263 1 ClNSF3O3C21H21 ABCD3E3F21G21 -258.44 3.23 -9.15 -1.3 0
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169426 75103301 1 Cl2O5F6N7H33C43 A2B5C6D7E33F43 -319.55 5.91 -9.25 -1.24 0
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169427 75103339 1 SO7N9C35H43 AB7C9D35E43 -239.93 4.17 -8.74 -0.3 0
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169428 75103340 1 O7N9C36H45 A7B9C36D45 -255.95 3.91 -8.23 0.0 0
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169429 75103341 1 N2O3C20H32 A2B3C20D32 -158.57 5.28 -8.63 0.08 0
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169430 75103861 2 N3O3C28H32 A3B3C28D32 -133.28 9.46 -9.0 -0.78 0
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169431 75103862 1 N5O9C69H93 A5B9C69D93 -345.82 4.13 -9.13 -0.14 0
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169432 75103863 1 N5O8C63H81 A5B8C63D81 -280.42 3.08 -9.21 -0.18 0
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169433 75104152 1 FOPN3C25H39 ABCD3E25F39 -122.61 3.22 -8.75 -0.16 0
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169434 75104258 1 OPN3C28H38 ABC3D28E38 -49.78 3.72 -8.92 -0.04 0
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169435 75104346 1 N4O7C36H54 A4B7C36D54 -326.29 7.77 -9.28 -0.59 0
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169436 75104347 1 O4N5H19C20 A4B5C19D20 -70.79 5.65 -8.4 -0.72 0
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169437 75104381 1 P3N5O16C38H58 A3B5C16D38E58 -889.69 4.06 -8.6 -0.54 0
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169438 75104472 1 NBr2O2H15C16 AB2C2D15E16 -29.06 1.52 -8.49 -0.46 0
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169439 75104473 2 OC14H23 AB14C23 -109.74 1.04 -9.12 0.59 0
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169440 75104474 2 OC7H10 AB7C10 -72.88 6.01 -9.29 -0.38 0
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169441 75104713 1 Cl2O3N9C26H31 A2B3C9D26E31 -1.92 7.15 -9.33 -1.48 0
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169442 75104714 1 PN5O6C30H56 AB5C6D30E56 -332.6 6.21 -9.12 -0.55 0
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169443 75104756 1 N2O23C45H80 A2B23C45D80 -1087.33 4.48 -9.67 0.15 0
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169444 75105083 1 ClO3N5C22H32 AB3C5D22E32 -151.3 7.76 -9.51 0.22 0
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169446 75105530 1 ClNOC20H28 ABCD20E28 -60.24 3.84 -8.86 0.17 0
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169447 75105581 1 ClN2O6C24H27 AB2C6D24E27 -243.46 1.97 -9.59 -0.42 0
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169448 75105632 1 O4N5C14H15 A4B5C14D15 92.01 2.63 -8.64 -1.76 0
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169449 75105882 1 SCl2O2N3C22H25 AB2C2D3E22F25 -66.9 3.97 -8.73 -0.42 0
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169450 75105883 1 Cl2O2N3C7H11 A2B2C3D7E11 -113.4 5.68 -9.89 -0.56 0
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169451 75105972 2 N4C7H9 A4B7C9 149.38 1.97 -8.67 -0.91 0
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169452 75105973 1 ClPS2O6N7C18H31 ABC2D6E7F18G31 -285.82 7.53 -9.02 -0.45 0
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169453 75105974 1 PS2O6N7C18H30 AB2C6D7E18F30 -247.0 3.31 -9.02 -0.44 0
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169454 75105980 1 ClPN7O8C20H35 ABC7D8E20F35 -403.2 4.78 -9.14 -0.59 0
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169455 75105981 1 PN7O8C20H34 AB7C8D20E34 -356.05 4.91 -9.11 -0.64 0
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169456 75105982 1 ClPN7O8C30H39 ABC7D8E30F39 -328.37 7.34 -9.02 -0.45 0
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169457 75105983 1 PN7O8C30H38 AB7C8D30E38 -288.04 4.66 -8.97 -0.39 0
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169458 75105984 1 ClPN7O8C18H31 ABC7D8E18F31 -375.9 7.43 -9.13 -0.61 0
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169459 75106052 1 Cl4N4O8C39H56 A4B4C8D39E56 -431.94 5.61 -8.78 -0.43 0
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169460 75106053 1 Cl2N4O8C39H54 A2B4C8D39E54 -349.23 6.53 -8.84 -0.34 0
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169461 75106054 1 Cl3N3O10C41H56 A3B3C10D41E56 -485.09 6.48 -8.77 -0.45 0
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169462 75106109 1 ClOSN2C21H29 ABCD2E21F29 -58.02 4.74 -8.88 -0.66 0
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169463 75106110 1 ClSN3O3C20H24 ABC3D3E20F24 -24.29 2.18 -9.31 -1.84 0
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169464 75106111 1 ClN2O9C29H35 AB2C9D29E35 -350.5 7.93 -8.86 -0.61 0
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169465 75106258 1 Cl4N5C17H19 A4B5C17D19 -8.68 3.58 -9.01 -0.7 0
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169466 75106539 1 Cl2O5N8C40H44 A2B5C8D40E44 -140.33 11.21 -9.05 -1.5 0
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169467 75106540 1 ClN2O2C15H25 AB2C2D15E25 -146.66 4.12 -9.37 -0.16 0
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169468 75106541 1 ClO2N4C18H27 AB2C4D18E27 -98.87 3.67 -9.28 -0.51 0
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169469 75107365 1 SN5O13C27H37 AB5C13D27E37 -371.3 9.05 -8.25 -1.47 0
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169470 75107566 1 N3F6H13C18 A3B6C13D18 -232.17 5.86 -9.47 -1.16 0
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169471 75107567 1 NO2S2C18H19 AB2C2D18E19 -37.52 3.8 -8.4 -1.15 0
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169472 75107568 1 N3O4F6H15C20 A3B4C6D15E20 -370.41 26.36 -8.39 -2.03 0
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169473 75107704 1 N2O2H12C15 A2B2C12D15 17.5 3.98 -8.65 -1.04 0
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169474 75108424 4 OC4H5 AB4C5 -100.72 7.31 -9.51 -0.74 0
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169475 75108425 1 O2N6C13H16 A2B6C13D16 0.23 4.99 -8.78 -0.3 0
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169476 75108426 1 FN5O5H30C33 AB5C5D30E33 -94.43 8.63 -8.7 -0.8 0
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169477 75108592 1 NSO5H18C20 ABC5D18E20 -74.78 2.04 0.0 0.0 0
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169478 75108616 1 S2N3O6C52H53 A2B3C6D52E53 -138.08 7.0 -8.86 -0.31 0
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169479 75108673 2 OH17C27 AB17C27 285.32 1.16 -8.72 -0.7 0
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169480 75109152 2 OC10H11 AB10C11 -42.22 1.44 -9.19 0.31 0
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169481 75109530 1 NSO4C16H16 ABC4D16E16 -66.72 2.51 0.0 0.0 0
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169482 75109761 1 ClSF3O3N5H13C18 ABC3D3E5F13G18 -109.47 9.23 -8.82 -1.71 0
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169483 75110042 2 SiO2C15H30 AB2C15D30 -375.36 4.07 -9.01 1.06 0
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169484 75110183 1 ClN2S2O6C23H23 AB2C2D6E23F23 -167.75 11.53 -8.96 -1.97 0
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169485 75110352 1 Cl2N3O7C17H21 A2B3C7D17E21 -292.95 4.56 -9.09 -0.84 0
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169486 75110448 1 NNaC3H4O5 ABC3D4E5 -188.69 4.37 -9.92 -0.19 0
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169487 75110528 1 ClOSN2H11C17 ABCD2E11F17 74.63 5.13 -8.45 -1.5 0
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169488 75110621 1 SiN2O5C27H30 AB2C5D27E30 -182.42 10.77 -9.24 -1.53 0
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169489 75110760 1 N11O12C63H113 A11B12C63D113 -635.92 7.48 -9.02 -0.23 0
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169490 75110812 1 O7C25H32 A7B25C32 -308.87 3.61 -9.3 -0.67 0
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169491 75110813 1 O6C23H32 A6B23C32 -267.43 9.39 -9.36 -1.05 0
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169492 75110814 1 NO8C29H39 AB8C29D39 -313.84 8.32 -8.87 -1.07 0
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169493 75110875 1 O5C18H30 A5B18C30 -248.71 2.21 -9.65 0.33 0
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169494 75110876 1 O7C18H30 A7B18C30 -340.39 6.1 -9.94 0.53 0
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169495 75110877 1 ClSO10C21H25 ABC10D21E25 -436.24 3.15 -9.22 -1.16 0
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169496 75110878 1 NO9C27H43 AB9C27D43 -409.94 9.61 -9.78 -0.6 0
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169497 75111640 1 O2N5C25H35 A2B5C25D35 1.39 3.34 -7.67 0.08 0
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169498 75112004 3 NOC11H15 ABC11D15 -122.86 5.02 -8.42 0.02 0
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169499 75112124 1 O5N6C29H34 A5B6C29D34 -143.12 4.76 -8.64 -0.68 0
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169500 75112125 1 N5O5C30H41 A5B5C30D41 -200.48 4.97 -8.61 -0.13 0
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169501 75112126 1 SN5O6C29H35 AB5C6D29E35 -192.99 2.44 -8.44 -0.58 0
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169502 75112540 1 FO4N5H26C28 AB4C5D26E28 -69.37 8.95 -9.01 -0.7 0
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169503 75112837 1 Cl2F2N3O6H21C28 A2B2C3D6E21F28 -234.82 7.95 -9.16 -1.27 0
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169504 75112858 2 FON2H12C13 ABC2D12E13 -101.66 4.4 -9.21 -0.92 0
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169505 75113189 1 NOSF3C11H20 ABCD3E11F20 -221.22 2.46 -8.86 0.2 0
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169506 75113190 1 ClNO2F3H15C18 ABC2D3E15F18 -191.51 6.65 -9.22 -0.79 0
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169507 75113637 1 BN5O5C27H46 AB5C5D27E46 -325.48 5.97 -9.18 0.21 0
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169508 75113884 2 NOC7H7 ABC7D7 6.89 5.68 -8.78 -0.36 0
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169509 75113897 1 ZnN2C30H44 AB2C30D44 151.54 4.91 -7.92 -0.71 -2
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169511 75113899 2 F2H9C13 A2B9C13 -29.91 2.8 -9.0 -0.93 0
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169512 75114350 1 N2F3O3C17H21 A2B3C3D17E21 -270.65 4.73 -9.04 -0.82 0
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169513 75114525 1 SF2O3N4C33H34 AB2C3D4E33F34 -138.62 3.33 -9.24 -0.75 0
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169514 75114591 1 SN3O5H11C14 AB3C5D11E14 -52.96 1.08 -9.42 -1.99 0
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169515 75114725 1 P2O14C49H84 A2B14C49D84 -798.45 9.74 -9.0 -0.02 -2
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169516 75114730 1 O12C17H18 A12B17C18 -434.84 6.95 -8.89 -1.33 0
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169517 75114731 2 NO4C13H15 AB4C13D15 -288.14 5.11 -8.56 -0.16 0
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169518 75115286 1 SN6O6C12H18 AB6C6D12E18 -90.52 3.18 -9.81 -0.94 0
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169519 75115785 1 NO4H11C12 AB4C11D12 -53.79 4.26 -10.69 -1.62 0
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169520 75116624 1 ON8C30H32 AB8C30D32 89.35 7.31 -8.44 -0.56 0