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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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137412 52205284 1 FNSO4C20H26 ABCD4E20F26 -195.02 8.64 -9.22 0.07 0
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137413 52205285 1 N2O4C19H20 A2B4C19D20 -111.52 5.57 -9.27 -0.3 0
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137414 52205286 2 NSO2C9H11 ABC2D9E11 -121.46 7.88 -9.19 -0.65 0
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137415 52205287 1 SN2O4C18H26 AB2C4D18E26 -126.78 3.42 -9.8 0.14 0
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137416 52205610 1 NO3C21H21 AB3C21D21 -72.59 4.7 -9.53 -0.35 0
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137417 52205955 1 NOBr2H11C14 ABC2D11E14 18.37 6.65 -8.59 -1.31 0
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137418 52205956 1 BrClNO2H13C15 ABCD2E13F15 -29.34 6.31 -8.45 -1.4 0
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137419 52205957 1 BrClNOF3H8C14 ABCDE3F8G14 -139.15 0.79 -8.97 -1.81 0
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137420 52205984 1 NO2C19H21 AB2C19D21 -40.16 4.86 -7.95 -1.07 0
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137421 52206280 1 N3O5C22H23 A3B5C22D23 -164.63 0.31 -8.89 -0.83 0
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137422 52206560 1 FO3N4H23C25 AB3C4D23E25 -75.7 5.19 -8.72 -1.23 0
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137423 52206812 2 FON2H12C13 ABC2D12E13 -83.6 2.76 -8.51 -1.35 -1
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137424 52206967 1 N4O4H19C23 A4B4C19D23 13.18 9.45 0.0 0.0 0
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137425 52207087 1 FN2O2C23H27 AB2C2D23E27 -122.04 4.94 -9.44 -0.07 0
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137426 52207088 1 FN2O2C20H21 AB2C2D20E21 -102.2 3.62 -8.79 -0.36 0
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137427 52207089 1 FN2O2C20H21 AB2C2D20E21 -102.28 4.64 -8.8 -0.32 0
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137428 52207090 1 SN2O2C15H18 AB2C2D15E18 -51.66 5.76 -8.99 -0.7 -1
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137429 52207103 1 O2N6H15C18 A2B6C15D18 75.85 5.19 0.0 0.0 1
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137430 52207482 1 N2O3C16H23 A2B3C16D23 -103.67 6.23 0.0 0.0 0
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137431 52207519 1 SO2N3C14H21 AB2C3D14E21 -77.91 4.94 -9.34 -0.33 0
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137432 52207755 1 N2S2O3C15H18 A2B2C3D15E18 -91.56 7.39 -8.87 -0.97 0
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137433 52207842 1 SN3O3C14H25 AB3C3D14E25 -146.12 1.27 -8.76 -0.41 0
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137434 52208464 1 ClSN3O3H12C14 ABC3D3E12F14 -30.99 8.35 -8.91 -0.8 0
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137435 52208465 1 ON3C21H23 AB3C21D23 17.09 2.11 -9.03 0.07 0
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137436 52208487 1 S2N3O3C15H19 A2B3C3D15E19 -88.47 23.1 -7.59 -1.43 0
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137437 52208633 1 NF2O3C17H23 AB2C3D17E23 -204.9 4.21 -9.3 -0.53 0
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137438 52208634 1 OSN4H16C18 ABC4D16E18 76.42 7.72 -8.85 -0.74 0
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137439 52208680 1 BrSN3O4C17H18 ABC3D4E17F18 -99.49 3.49 -9.43 -1.08 0
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137440 52208709 1 O2N3H17C18 A2B3C17D18 -17.98 2.85 -8.48 -0.5 1
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137441 52208765 1 O2N3C16H28 A2B3C16D28 -77.07 6.39 0.0 0.0 0
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137442 52208821 1 N3O3C17H17 A3B3C17D17 -66.83 1.92 -8.97 -0.52 0
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137443 52208958 1 O4N5C16H25 A4B5C16D25 -100.78 5.93 -8.86 -1.3 0
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137444 52208959 1 SN3O3C19H23 AB3C3D19E23 -54.84 9.45 -8.65 -0.5 0
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137445 52208977 1 SN2O4H16C19 AB2C4D16E19 -90.32 12.23 -8.87 -1.02 0
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137446 52209073 1 O3N4C14H20 A3B4C14D20 -112.87 4.31 -10.01 -1.15 0
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137447 52209090 1 OSN6C16H20 ABC6D16E20 65.2 2.34 -8.93 -0.52 0
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137448 52209228 1 SN3O5C14H21 AB3C5D14E21 -209.72 7.47 -10.3 -0.67 0
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137449 52209252 1 SO2N3C16H21 AB2C3D16E21 -67.66 3.47 -9.06 -1.19 0
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137450 52209710 1 O2F3N5H8C12 A2B3C5D8E12 -118.73 6.04 -9.79 -1.18 1
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137451 52210113 1 O2N4C14H25 A2B4C14D25 -21.43 7.89 0.0 0.0 -1
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137452 52210140 1 SN3O3H12C13 AB3C3D12E13 -40.87 4.95 0.0 0.0 -1
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137453 52210141 1 SO2N3C16H18 AB2C3D16E18 -24.67 6.4 0.0 0.0 0
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137454 52210142 1 SO2N3C16H19 AB2C3D16E19 -72.54 6.62 -9.24 -1.42 -1
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137455 52210143 1 SO3N5C18H20 AB3C5D18E20 -39.08 9.03 0.0 0.0 -1
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137456 52210144 1 SO2N3C16H18 AB2C3D16E18 -25.35 7.04 0.0 0.0 0
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137457 52210465 1 O2N6C21H30 A2B6C21D30 -21.33 3.57 -8.7 -0.08 1
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137458 52210574 1 O4N5C23H26 A4B5C23D26 -47.31 1.94 0.0 0.0 0
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137459 52210990 1 SO3N4C19H20 AB3C4D19E20 -39.7 4.99 -9.27 -1.02 0
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137460 52210991 2 ON2C10H13 AB2C10D13 -39.95 2.15 -8.92 -0.47 0
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137461 52211418 1 ClN3O3C12H14 AB3C3D12E14 -96.82 5.19 -8.99 -0.41 0
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137462 52211447 1 SN2O2C19H20 AB2C2D19E20 -23.55 4.75 -9.16 -0.37 0
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137463 52211530 1 ON3H19C20 AB3C19D20 60.59 5.59 -8.96 -0.34 0
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137464 52211675 1 BrO2N3H14C19 AB2C3D14E19 4.78 8.13 -9.44 -1.13 0
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137465 52211676 1 SO3N4C13H14 AB3C4D13E14 -50.39 2.94 -9.64 -1.38 0
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137466 52211677 1 ClFSO3N4H14C17 ABCD3E4F14G17 -72.42 6.31 -8.84 -1.07 0
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137467 52211802 1 O3N4C13H16 A3B4C13D16 -18.77 9.29 -9.53 -1.3 0
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137468 52211803 1 SN4O6C16H24 AB4C6D16E24 -169.36 9.82 -9.38 -1.37 0
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137469 52211804 1 SN4O5C17H26 AB4C5D17E26 -142.41 8.53 -9.46 -1.24 -1
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137470 52212053 1 N3O3S3H14C16 A3B3C3D14E16 -7.08 10.74 0.0 0.0 0
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137471 52212067 1 O3N4C17H20 A3B4C17D20 -42.45 5.72 -8.86 -0.13 0
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137472 52212303 1 SN3O4C16H19 AB3C4D16E19 -103.25 1.77 -9.49 -0.88 -1
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137473 52212663 1 SN3O7H14C17 AB3C7D14E17 -57.44 7.85 0.0 0.0 0
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137474 52213195 2 FNOH7C8 ABCD7E8 -130.73 3.59 -9.95 -0.9 0
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137475 52213325 1 N2O5C20H30 A2B5C20D30 -201.26 2.89 -8.26 0.16 0
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137476 52213435 2 N2O2C10H17 A2B2C10D17 -209.69 6.21 -8.81 -0.22 0
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137477 52213536 1 ClSN2O4C15H21 ABC2D4E15F21 -160.6 2.72 -9.58 -1.16 0
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137478 52213537 1 ClSN2O4C15H21 ABC2D4E15F21 -161.46 2.32 -9.5 -1.2 0
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137479 52213538 1 ClSN2O4C15H21 ABC2D4E15F21 -162.84 3.64 -9.51 -1.13 0
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137480 52213539 1 SN2O5C16H24 AB2C5D16E24 -196.39 9.61 -9.26 -0.64 0
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137481 52213540 1 SN2O5C16H24 AB2C5D16E24 -196.58 4.19 -9.25 -0.63 0
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137482 52213541 1 ON2S2H16C17 AB2C2D16E17 30.43 4.63 -8.67 -1.02 0
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137483 52213542 1 SN2O4C17H26 AB2C4D17E26 -168.52 3.88 -9.32 -0.64 0
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137484 52213543 1 SN2O4C17H26 AB2C4D17E26 -165.59 4.28 -9.19 -0.72 0
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137485 52213544 1 SN2O4C17H26 AB2C4D17E26 -167.55 3.68 -9.23 -0.64 0
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137486 52213545 1 SN3O4C18H29 AB3C4D18E29 -178.82 4.56 -9.58 -0.81 0
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137487 52213802 1 ON3C16H21 AB3C16D21 -14.72 2.3 -9.11 0.2 0
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137488 52213870 3 NOH5C6 ABC5D6 -38.87 4.46 -9.4 -0.81 0
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137489 52213871 1 SN2O3H16C17 AB2C3D16E17 -54.2 2.23 -9.9 -0.74 0
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137490 52214061 1 ClNOC16H20 ABCD16E20 -33.45 2.89 -9.44 -0.2 0
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137491 52214191 1 NO2C14H19 AB2C14D19 -50.77 4.65 -8.79 0.29 0
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137492 52214274 1 SN2O4C22H28 AB2C4D22E28 -141.84 4.36 -8.66 -0.76 0
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137493 52214370 1 FON4C18H23 ABC4D18E23 -51.81 1.61 -9.22 -0.17 0
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137494 52214371 1 FON4C18H23 ABC4D18E23 -51.29 3.4 -9.26 -0.07 0
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137495 52214447 1 Cl2N3O5H17C18 A2B3C5D17E18 -126.9 6.38 -9.57 -1.35 0
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137496 52214499 1 OSN5C19H25 ABC5D19E25 23.73 8.65 -9.27 -0.78 0
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137497 52214587 1 O2N4C23H24 A2B4C23D24 2.53 4.19 -9.17 -0.53 0
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137498 52214649 1 N2O3C18H28 A2B3C18D28 -160.43 4.3 -9.67 -0.25 0
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137499 52214860 1 O3N4C19H26 A3B4C19D26 -83.72 3.73 -8.99 0.04 1
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137500 52214929 1 SO2N3C19H24 AB2C3D19E24 12.3 4.17 0.0 0.0 -1
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137501 52215337 1 NO6C14H18 AB6C14D18 -213.98 1.73 0.0 0.0 0
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137502 52215375 1 ClN3O3C19H28 AB3C3D19E28 -157.4 4.0 -9.66 -0.8 0
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137503 52215651 1 SO2N3C20H27 AB2C3D20E27 -56.6 5.78 -8.69 -0.37 0
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137504 52216230 1 ClON3C17H18 ABC3D17E18 26.79 4.06 -9.47 -0.91 0
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137505 52216902 1 BrFNO3C17H17 ABCD3E17F17 -126.43 3.36 -8.95 -0.63 0
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137506 52217443 1 SN2O4C20H24 AB2C4D20E24 -128.01 2.12 -9.31 -1.03 0
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137507 52217847 1 N2O3C21H24 A2B3C21D24 -48.11 6.18 -8.39 -0.73 0
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137508 52218009 1 O3N5C12H17 A3B5C12D17 -87.33 5.23 -9.37 -0.77 0
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137509 52218010 1 O3N5C12H17 A3B5C12D17 -89.47 3.73 -9.69 -0.86 0
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137510 52218122 1 NOSC14H21 ABCD14E21 -55.21 2.38 -8.92 -0.18 0
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137511 52218551 1 NO2C13H19 AB2C13D19 -80.91 5.15 -9.02 0.0 0