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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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384162 134976462 1 O2H18C25 A2B18C25 38.63 4.69 -9.17 -1.79 0
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384163 134976464 1 O2H8C13 A2B8C13 54.83 4.8 -9.38 -1.23 0
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384164 134976465 1 KC17H33 AB17C33 -17.88 6.98 -5.06 0.76 0
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384165 134976466 1 LiC18H19 AB18C19 98.68 8.62 -5.97 0.8 0
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384166 134976468 1 LiPC25H26 ABC25D26 148.72 17.12 -3.34 -0.97 0
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384167 134976470 1 NaOC6H9 ABC6D9 -2.42 8.96 -6.02 0.41 0
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384168 134976471 1 ON2H26C28 AB2C26D28 71.13 5.17 -8.32 -1.07 0
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384169 134976472 1 SN2O3H24C30 AB2C3D24E30 12.93 11.42 -8.3 -0.9 0
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384170 134976473 1 SCl2N2O3H18C28 AB2C2D3E18F28 12.52 4.04 -8.52 -1.12 0
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384171 134976475 1 N2O6C27H46 A2B6C27D46 -282.72 2.34 -8.9 -0.25 0
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384172 134976476 1 O3C34H46 A3B34C46 -114.94 1.99 -8.38 0.15 0
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384173 134976477 1 NaC13H23 AB13C23 5.91 6.8 -5.31 0.97 0
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384174 134976478 1 NaC14H25 AB14C25 3.8 6.54 -5.32 0.98 0
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384175 134976479 2 C7H13 A7B13 -37.85 0.75 -9.95 1.34 0
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384176 134976480 1 NO3C19H32 AB3C19D32 -65.7 4.66 0.0 0.0 0
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384177 134976482 2 O2Si2C11H21 A2B2C11D21 -252.7 0.91 -9.15 0.23 0
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384178 134976484 1 LiC14H25 AB14C25 44.21 14.26 -4.45 0.74 0
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384179 134976486 1 NOC13H21 ABC13D21 -32.21 3.28 -9.36 -0.27 0
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384180 134976487 1 NO2C30H39 AB2C30D39 -31.99 3.22 -8.42 -0.09 0
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384181 134976488 1 NO6C34H53 AB6C34D53 -313.7 1.36 -10.21 -0.43 0
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384182 134976490 1 NOC16H23 ABC16D23 -25.1 2.73 -9.02 0.25 0
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384183 134976491 1 NOC18H19 ABC18D19 -15.45 4.16 -8.99 -0.85 0
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384185 134976494 3 BrSeC2H4 ABC2D4 4.41 3.48 0.0 0.0 0
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384186 134976495 3 SeC2H4 AB2C4 24.35 2.35 -8.22 -0.19 -1
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384187 134976496 3 BrSC2H4 ABC2D4 23.07 3.68 0.0 0.0 0
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384188 134976497 3 SC2H4 AB2C4 20.47 0.95 -8.45 0.26 0
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384189 134976498 1 ClS3O4H17C21 AB3C4D17E21 54.55 8.53 -8.87 -1.36 0
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384190 134976501 1 BNF4H18C21 ABC4D18E21 -154.44 1.43 -8.46 -0.11 0
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384191 134976503 1 NPO3C14H18 ABC3D14E18 -159.08 5.32 -9.71 -1.41 0
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384192 134976504 1 PO2C21H33 AB2C21D33 -142.54 8.95 -8.27 0.12 1
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384193 134976505 1 PO2C21H34 AB2C21D34 -113.33 11.71 0.0 0.0 0
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384194 134976506 1 PO2C22H35 AB2C22D35 -145.07 6.45 -8.18 0.37 0
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384195 134976508 1 IOPH26C28 ABCD26E28 30.26 9.49 -7.76 -0.9 0
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384196 134976509 1 ClPO2C12H26 ABC2D12E26 -182.95 4.84 -8.82 1.5 0
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384197 134976511 1 P2F6C25H28 A2B6C25D28 -441.08 18.73 -9.67 -0.75 1
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384198 134976512 1 PC25H28 AB25C28 43.21 7.93 0.0 0.0 1
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384199 134976514 1 PC25H28 AB25C28 41.77 8.45 0.0 0.0 0
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384200 134976515 1 BrPN2C19H28 ABC2D19E28 -14.81 10.77 -6.23 -0.38 0
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384201 134976516 1 BrPN2C23H36 ABC2D23E36 -25.84 6.8 -7.5 -0.02 0
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384202 134976519 1 BrNPC17H37 ABCD17E37 -102.5 4.17 -8.1 1.16 0
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384203 134976520 1 CrPO3C16H19 ABC3D16E19 -46.25 3.09 -7.37 0.06 0
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384204 134976521 1 CrPO3C20H23 ABC3D20E23 -112.68 5.32 -7.8 -0.19 0
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384205 134976522 1 PC17H23 AB17C23 -18.44 1.47 -8.46 0.33 0
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384206 134976524 1 ClPN2O5C34H36 ABC2D5E34F36 -165.36 7.4 -9.17 -0.14 0
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384207 134976525 1 ClPN2O5C31H38 ABC2D5E31F38 -204.47 6.12 -9.21 -0.2 0
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384208 134976527 1 FSN2O6H25C27 ABC2D6E25F27 -141.5 10.58 -9.58 -1.14 0
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384209 134976528 1 O2C11H12 A2B11C12 -41.2 3.03 -9.02 -0.31 0
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384211 134976537 1 BrO2C7H7 AB2C7D7 -16.36 2.21 -10.27 -1.01 0
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384212 134976538 1 SC17H20 AB17C20 18.23 1.49 -8.41 -0.04 0
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384213 134976540 1 PO4C21H23 AB4C21D23 -44.45 1.76 -8.24 -0.77 0