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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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60451 26686912 1 S2N3O4C17H19 A2B3C4D17E19 -96.29 3.88 -9.74 -1.36 0
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60452 26686990 1 SO2N5H15C19 AB2C5D15E19 51.79 3.74 -8.81 -1.73 0
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60453 26687012 1 SN3O4H15C21 AB3C4D15E21 -55.47 3.6 -9.48 -2.02 0
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60454 26687205 1 SN3O4C22H25 AB3C4D22E25 -85.26 6.65 -8.62 -1.04 0
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60455 26687247 1 N3O4C19H19 A3B4C19D19 -96.25 7.66 -8.44 -0.67 0
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60456 26687325 1 BrNF2O3H12C20 ABC2D3E12F20 -133.87 5.05 -8.69 -1.3 0
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60457 26688161 1 ClNOF4H8C14 ABCD4E8F14 -208.6 7.0 -9.44 -1.22 1
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60458 26697033 1 SN3O5C22H28 AB3C5D22E28 -107.74 3.19 0.0 0.0 0
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60459 26697034 1 SN3O5C22H27 AB3C5D22E27 -134.34 2.84 -8.69 -0.83 1
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60460 26697035 1 SN3O5C22H28 AB3C5D22E28 -112.14 1.83 0.0 0.0 0
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60461 26697040 1 FSN3O4C19H22 ABC3D4E19F22 -155.41 6.14 -8.86 -1.11 1
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60462 26697041 1 FN3O5C22H27 AB3C5D22E27 -182.91 6.69 0.0 0.0 1
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60463 26697042 1 N3O6C23H30 A3B6C23D30 -159.48 5.23 0.0 0.0 0
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60464 26697043 1 N3O6C23H29 A3B6C23D29 -184.44 4.78 -8.72 -0.34 1
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60465 26697044 1 N3O6C24H32 A3B6C24D32 -171.29 6.86 0.0 0.0 1
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60466 26697046 1 SN3O4C21H28 AB3C4D21E28 -98.78 6.29 0.0 0.0 1
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60467 26697047 1 N3O4C23H26 A3B4C23D26 -102.09 10.19 0.0 0.0 0
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60468 26697048 1 N3O4C23H25 A3B4C23D25 -109.61 3.11 -9.17 -1.66 1
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60469 26697049 1 FN3O4C21H25 AB3C4D21E25 -133.41 3.03 0.0 0.0 0
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60470 26697052 1 SF2N3O4C22H25 AB2C3D4E22F25 -213.6 7.52 -8.71 -1.17 0
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60471 26697054 1 SN3O6C20H29 AB3C6D20E29 -207.96 5.05 -8.95 -0.82 0
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60472 26697056 1 O3N4C22H24 A3B4C22D24 -44.68 2.46 -8.85 -1.02 0
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60473 26697058 1 N3O4C21H21 A3B4C21D21 -99.29 7.78 -8.67 -1.72 0
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60474 26697063 1 ClSN3O5C21H26 ABC3D5E21F26 -162.71 2.99 -8.37 -1.33 1
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60475 26697064 1 SN3O4C14H20 AB3C4D14E20 -43.36 4.66 0.0 0.0 -1
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60476 26697066 1 SCl2N3O5C20H22 AB2C3D5E20F22 -137.98 5.93 0.0 0.0 0
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60477 26697067 1 SCl2N3O5C20H23 AB2C3D5E20F23 -172.46 6.22 -8.87 -1.17 -1
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60478 26697068 1 BrSN3O4C20H23 ABC3D4E20F23 -81.9 1.78 0.0 0.0 0
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60479 26697069 1 BrSN3O4C20H24 ABC3D4E20F24 -120.83 7.27 -8.98 -1.04 -1
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60480 26697070 1 S2N3O4C17H20 A2B3C4D17E20 -62.02 4.97 0.0 0.0 0
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60481 26697072 1 SN4O6C19H28 AB4C6D19E28 -162.79 8.57 -9.12 -1.43 1
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60482 26697073 1 FSN3O4C19H23 ABC3D4E19F23 -129.0 3.62 0.0 0.0 1
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60483 26697074 1 SN3O3C22H28 AB3C3D22E28 -54.45 5.73 0.0 0.0 1
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60484 26697078 1 SN3O4C17H26 AB3C4D17E26 -117.66 2.97 0.0 0.0 1
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60485 26697079 1 SN3O4C21H28 AB3C4D21E28 -108.08 9.06 0.0 0.0 0
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60486 26697081 1 SF2N3O4C19H21 AB2C3D4E19F21 -201.76 5.46 -8.8 -1.5 1
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60487 26697084 1 SN3O4C20H26 AB3C4D20E26 -92.76 5.68 0.0 0.0 1
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60488 26697085 1 SN3O5C18H28 AB3C5D18E28 -163.84 2.82 0.0 0.0 1
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60489 26697087 1 SN3O5C23H30 AB3C5D23E30 -144.95 5.78 0.0 0.0 0
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60490 26697088 1 SN3O5C23H29 AB3C5D23E29 -158.75 7.22 -7.92 -0.81 1
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60491 26697089 1 SO2N4C23H27 AB2C4D23E27 48.35 7.67 0.0 0.0 0
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60492 26697090 1 SO2N4C23H26 AB2C4D23E26 25.56 6.6 -8.7 -0.58 1
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60493 26697091 1 SN3O4C20H24 AB3C4D20E24 -36.81 10.24 0.0 0.0 0
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60494 26697092 1 SN3O4C20H23 AB3C4D20E23 -44.78 5.62 -8.94 -1.48 1
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60495 26697093 1 O3N4C16H21 A3B4C16D21 -70.45 3.89 0.0 0.0 0
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60496 26697094 1 O3N4C16H20 A3B4C16D20 -83.58 3.19 -8.97 -0.82 1
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60497 26697097 1 SN3O4C20H26 AB3C4D20E26 -95.37 1.37 0.0 0.0 0
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60498 26697098 1 SN3O4C20H25 AB3C4D20E25 -121.21 3.66 -8.81 -0.95 1
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60499 26697099 1 O2N4C24H27 A2B4C24D27 31.96 7.07 0.0 0.0 0
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60500 26697100 2 ON2C12H13 AB2C12D13 23.22 3.88 -8.84 -0.82 1
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60501 26697101 1 FO2N4C24H26 AB2C4D24E26 -11.37 6.79 0.0 0.0 0
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60502 26697102 1 FO2N4C24H25 AB2C4D24E25 -24.83 5.59 -8.91 -0.88 1
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60503 26697103 1 O3N4C25H29 A3B4C25D29 9.08 4.99 0.0 0.0 1
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60504 26697105 1 O2N4C25H29 A2B4C25D29 37.15 5.72 0.0 0.0 0
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60505 26697106 1 O2N4C25H28 A2B4C25D28 13.38 5.49 -8.71 -0.81 1
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60506 26697107 1 N4O4C19H29 A4B4C19D29 -57.79 6.57 0.0 0.0 0
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60507 26697108 1 N4O4C19H28 A4B4C19D28 -77.69 3.51 -9.03 -0.93 1
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60508 26697109 1 SN3O4C22H28 AB3C4D22E28 -89.36 1.62 0.0 0.0 1
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60509 26697111 1 ClSN4O4C23H30 ABC4D4E23F30 -90.31 5.52 0.0 0.0 0
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60510 26697112 1 ClSN4O4C23H29 ABC4D4E23F29 -112.91 6.22 -8.45 -1.35 0
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60511 26697114 1 N2O2C21H26 A2B2C21D26 -74.87 4.88 -8.49 -0.36 0
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60512 26697115 1 N2O3C18H20 A2B3C18D20 -41.13 5.19 -8.56 -0.58 0
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60513 26697116 1 SN2O5C27H28 AB2C5D27E28 -116.37 6.36 -8.43 -0.96 0
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60514 26697118 1 SN2O3C16H18 AB2C3D16E18 -80.18 1.27 -8.73 -0.98 0
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60515 26697119 1 N2O2F3C18H21 A2B2C3D18E21 -223.89 9.82 -9.0 -0.61 0
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60516 26697120 1 SN2O3C19H24 AB2C3D19E24 -107.45 5.73 -8.73 -0.44 0
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60517 26697121 1 BrN2S2O3C19H23 AB2C2D3E19F23 -82.28 6.53 -8.45 -1.27 0
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60518 26697123 1 ClSN3O4C20H22 ABC3D4E20F22 -66.74 5.63 -8.69 -1.82 0
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60519 26697124 1 ClSN3O4C20H22 ABC3D4E20F22 -65.86 4.56 -8.68 -1.93 0
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60520 26697125 1 BrSN2O2C20H23 ABC2D2E20F23 -54.0 6.87 -8.63 -0.99 0
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60521 26697126 1 BrSN2O2C20H23 ABC2D2E20F23 -58.78 4.54 -8.59 -0.99 0
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60522 26697127 1 SN2O3C21H26 AB2C3D21E26 -100.18 4.47 -8.42 -0.68 0
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60523 26697128 1 SN2O3C21H26 AB2C3D21E26 -96.75 2.19 -8.57 -0.49 0
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60524 26697129 1 ClSN3O4C20H22 ABC3D4E20F22 -64.61 6.44 -8.8 -1.97 0
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60525 26697130 1 ClSN3O4C20H22 ABC3D4E20F22 -66.27 2.44 -8.73 -2.17 0
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60526 26697131 1 SN2O2C21H26 AB2C2D21E26 -64.07 3.01 -8.64 -0.28 0
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60527 26697135 1 FN2S2O3C19H23 AB2C2D3E19F23 -139.39 5.8 -8.41 -1.12 0
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60528 26697138 1 NO2C20H23 AB2C20D23 -67.19 5.95 -8.38 -0.82 0
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60529 26697140 2 NO2C11H14 AB2C11D14 -91.28 7.17 -8.52 -0.44 0
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60530 26697142 1 SBr2N2O3C17H18 AB2C2D3E17F18 -83.22 1.38 -8.64 -1.27 0
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60531 26697143 1 SO2N4H22C26 AB2C4D22E26 20.66 6.78 -8.48 -1.14 0
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60532 26697145 1 N2O3C16H18 A2B3C16D18 -85.21 3.27 -8.78 -0.3 0
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60533 26697146 1 SN2F3O3C18H19 AB2C3D3E18F19 -243.87 6.26 -8.73 -1.21 0
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60534 26697148 1 F2N2O3C18H18 A2B2C3D18E18 -194.56 2.79 -8.78 -0.66 0
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60535 26697151 1 ClSN2F3O3C21H22 ABC2D3E3F21G22 -255.22 8.39 -8.9 -1.2 0
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60536 26697152 1 SN2O3C22H28 AB2C3D22E28 -114.26 5.83 -8.6 -0.38 0
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60537 26697153 1 SN2O3C21H26 AB2C3D21E26 -93.71 3.46 -8.84 -1.07 0
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60538 26697154 1 N2S2O7C20H24 A2B2C7D20E24 -252.85 2.75 -8.77 -1.83 0
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60539 26697156 1 O2N3H17C18 A2B3C17D18 -24.88 1.65 -8.78 -1.01 0
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60540 26697157 1 O2N3C22H31 A2B3C22D31 -116.04 4.42 -8.66 0.13 0
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60541 26697159 2 NO2C12H15 AB2C12D15 -137.08 4.94 -8.62 -0.51 0
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60542 26697161 1 SN2O3C18H22 AB2C3D18E22 -84.92 2.74 -8.69 -0.44 0
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60543 26697164 1 O2S2N3H21C23 A2B2C3D21E23 -6.66 4.02 -8.79 -1.15 0
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60544 26697166 1 SN3O3C19H21 AB3C3D19E21 -64.03 6.97 -8.48 -1.33 0
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60545 26697167 1 SN3O4C18H19 AB3C4D18E19 -52.28 4.1 -8.71 -1.86 0
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60546 26697169 1 SN2O3C19H24 AB2C3D19E24 -96.02 3.84 -8.75 -0.92 0
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60547 26697170 1 SN2O3C18H22 AB2C3D18E22 -95.63 7.67 -8.76 -0.94 0
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60548 26697171 1 SN2O3C19H22 AB2C3D19E22 -77.8 9.07 -8.62 -1.1 0
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60549 26697173 1 SN2O3C20H26 AB2C3D20E26 -112.47 6.55 -8.68 -0.5 0
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60550 26697174 1 ON3C17H21 AB3C17D21 3.85 3.94 -8.33 -0.35 0