List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
23567 604698 2 SO2C3H4 AB2C3D4 -156.48 1.48 -8.67 -1.53 0
23568 604699 2 NOC7H8 ABC7D8 -23.96 4.3 -9.79 -0.99 0
23569 604702 1 N3O3C21H25 A3B3C21D25 -76.92 5.18 -9.42 -0.76 0
23570 604705 1 SN2O2C21H28 AB2C2D21E28 -56.53 5.21 -8.96 -0.47 0
23571 604707 2 NOH4C5 ABC4D5 31.82 6.33 -8.72 -1.4 0
23572 604709 1 O3H8C11 A3B8C11 -72.38 2.74 -9.85 -1.8 0
23573 604710 1 OSH8C11 ABC8D11 -0.1 3.4 -8.9 -0.86 0
23574 604711 1 N2O3H10C12 A2B3C10D12 -13.01 7.6 -9.04 -1.63 0
23575 604713 2 NOH4C5 ABC4D5 -16.6 5.46 -9.67 -1.19 0
23576 604716 1 OC13H16 AB13C16 -34.08 3.64 -9.49 0.25 0
23577 604720 1 FN2H9C11 AB2C9D11 10.4 3.72 -9.61 -1.02 0
23578 604721 1 FN2H9C11 AB2C9D11 9.13 3.56 -9.49 -0.92 0
23579 604723 1 SO4C7H8 AB4C7D8 -143.84 6.25 -9.88 -0.69 0
23580 604724 1 NSeO2H15C17 ABC2D15E17 -25.88 4.09 -8.35 -1.47 0
23581 604725 2 NO2F4C7H10 AB2C4D7E10 -610.1 6.28 -10.47 -0.1 0
23582 604726 1 NC14H21 AB14C21 18.92 1.5 -8.63 -0.01 0
23583 604727 2 NOH4C5 ABC4D5 -8.46 6.33 -8.88 -1.3 0
23584 604732 1 O2N3C12H13 A2B3C12D13 30.22 8.49 -8.84 -1.03 0
23585 604743 2 OC6H6 AB6C6 -67.76 5.66 -9.22 -0.87 0
23586 604746 2 NOH4C5 ABC4D5 -24.43 2.77 -9.06 -0.48 0
23587 604748 1 NO3C14H17 AB3C14D17 -94.02 2.7 -9.69 -0.54 0
23588 604752 1 ON2C11H12 AB2C11D12 -5.4 1.65 -8.07 -0.28 0
23589 604754 1 ON2C11H12 AB2C11D12 -6.98 3.0 -8.96 -0.89 0
23590 604755 2 C7H10 A7B10 -19.76 0.36 -8.72 0.75 0
23591 604756 1 OF3N3H10C11 AB3C3D10E11 -144.46 3.38 -9.22 -0.91 0
23592 604759 1 ClN2O2C7H9 AB2C2D7E9 -60.77 4.06 -9.5 -0.26 0
23593 604761 1 NOSH15C17 ABCD15E17 36.98 4.36 -8.7 -1.12 0
23594 604763 1 NO2C12H13 AB2C12D13 -70.14 4.99 -10.22 -1.34 0
23595 604768 2 NOH4C5 ABC4D5 -0.59 4.22 -9.2 -1.36 0
23596 604810 1 BrO2H5C6 AB2C5D6 -64.01 1.77 -9.36 -0.28 0
23597 604813 1 NCl2O2C9H9 AB2C2D9E9 -82.51 3.64 -10.25 -1.17 0
23598 604854 1 O3C16H16 A3B16C16 -90.89 3.45 -8.61 -0.77 0
23599 604945 2 N2C12H17 A2B12C17 62.78 1.86 -8.29 0.25 0
23600 604946 2 NOC13H20 ABC13D20 -98.87 3.01 -8.52 0.39 0
23601 604970 1 SN2O3C13H18 AB2C3D13E18 -113.57 6.32 -8.78 -0.23 0
23602 604979 1 ON2C15H22 AB2C15D22 -28.72 4.13 -9.46 0.15 0
23603 605076 1 N2O2F3H11C12 A2B2C3D11E12 -186.21 5.46 -8.1 -0.68 0
23604 605084 1 NF3O4C17H20 AB3C4D17E20 -301.16 5.42 -9.95 -0.46 0
23605 605085 1 NH3F4C8 AB3C4D8 -149.9 4.37 -10.78 -1.59 0
23606 605093 1 NSC11H11 ABC11D11 39.9 0.77 -8.16 -0.56 0
23607 605094 1 N3O3C16H21 A3B3C16D21 -68.28 6.99 -8.73 -0.86 0
23608 605098 1 CuO4C14H24 AB4C14D24 -121.66 5.2 0.0 0.0 0
23609 605101 1 O5C33H50 A5B33C50 -259.81 3.0 -9.67 0.28 0
23610 605104 1 SN3C22H23 AB3C22D23 100.37 1.74 -8.44 -0.49 0
23611 605106 1 BrClON2H4C5 ABCD2E4F5 5.44 6.62 -9.99 -0.58 0
23612 605128 1 NO2C11H11 AB2C11D11 -33.45 6.4 -8.9 -0.82 0
23613 605139 1 O2F3H5C8 A2B3C5D8 -205.96 1.04 -10.05 -1.24 0
23614 605153 1 O2Cl6H10C15 A2B6C10D15 -76.95 2.05 -9.23 -0.9 0
23616 605217 2 NOH7C8 ABC7D8 -17.33 3.77 -8.79 -0.83 0
23617 605229 1 ClN2O2H13C16 AB2C2D13E16 -6.39 4.89 -8.28 -0.73 0
23618 605255 2 O2C16H27 A2B16C27 -283.04 2.27 -9.72 1.1 0
23619 605271 2 ON2H3C4 AB2C3D4 81.21 5.56 -10.06 -2.16 0
23620 605273 1 O5H14C15 A5B14C15 -169.02 2.56 -8.37 -0.66 0
23621 605274 1 NO3F5C9H12 AB3C5D9E12 -393.78 4.21 -10.19 -0.38 0
23622 605275 2 ON3C6H7 AB3C6D7 -29.51 4.17 -9.34 -1.26 0
23623 605277 2 OC6H7 AB6C7 -67.29 3.19 -8.43 0.27 0
23624 605278 1 NO6H19C20 AB6C19D20 -169.79 2.85 -8.78 -0.89 0
23625 605280 1 NOC18H27 ABC18D27 -63.85 0.67 -8.48 0.36 0
23626 605281 1 ON2C16H24 AB2C16D24 2.65 5.01 -9.46 0.46 0
23627 605282 1 BrO3C12H13 AB3C12D13 -119.91 3.49 -8.75 -0.8 0
23628 605283 1 ON4C9H10 AB4C9D10 36.26 4.77 -8.64 -0.58 0
23629 605284 1 NO2C17H25 AB2C17D25 -91.62 1.66 -9.33 -0.1 0
23630 605286 1 CFIS ABCD -0.8 0.63 -9.72 -1.99 0
23631 605287 1 O3N4F6H6C11 A3B4C6D6E11 -393.6 3.89 -9.37 -1.41 0
23632 605289 1 NSO2Si2C12H29 ABC2D2E12F29 -208.4 3.47 -8.66 0.66 0
23633 605290 1 NSi2O3C12H31 AB2C3D12E31 -261.26 1.89 -9.28 1.29 0
23634 605292 2 NOC5H5 ABC5D5 -11.6 2.21 -8.78 -0.75 0
23635 605293 1 ON4C9H10 AB4C9D10 43.85 2.29 -9.16 -0.52 0
23636 605294 2 NOC5H5 ABC5D5 -26.33 3.27 -9.38 -0.88 0
23637 605296 1 ON4C9H10 AB4C9D10 52.7 3.57 -8.93 -0.97 0
23638 605297 1 O2N3C10H13 A2B3C10D13 18.49 4.38 -9.26 -1.14 0
23639 605298 1 ON2F3H5C7 AB2C3D5E7 -157.26 1.44 -9.84 -1.08 0
23640 605299 2 C7H11 A7B11 20.29 0.15 -9.55 1.95 0
23641 605302 1 SN2O2C7H14 AB2C2D7E14 -52.29 3.14 -9.22 -0.25 0
23642 605304 2 ON2H3C4 AB2C3D4 80.21 5.52 -10.08 -1.7 0
23643 605305 2 ON2H3C4 AB2C3D4 94.1 4.84 -10.76 -2.05 0
23644 605307 2 C7H11 A7B11 -46.99 0.08 -9.93 3.9 0
23645 605308 1 NO2Cl3C12H12 AB2C3D12E12 -100.35 3.8 -9.4 -0.56 0
23646 605309 1 NCl2O2C18H19 AB2C2D18E19 -62.09 5.02 -8.89 -0.37 0
23647 605311 1 FeO4H10C12 AB4C10D12 20.82 3.68 -7.53 0.77 -4
23648 605312 1 OC9H10 AB9C10 -12.99 3.1 -10.04 0.66 -4
23649 605313 1 NO2C12H17 AB2C12D17 -51.62 2.67 -8.75 -0.43 0
23650 605314 1 FN2O2H15C18 AB2C2D15E18 -52.15 4.07 -8.98 -1.45 0
23651 605316 2 SH3C5 AB3C5 59.38 1.52 -8.4 -0.64 0
23652 605318 1 S3C7H10 A3B7C10 25.48 0.88 -8.54 -0.63 0
23653 605322 2 OC6H7 AB6C7 -76.43 1.83 -9.09 0.45 0
23654 605324 1 ON4C9H10 AB4C9D10 67.86 4.5 -9.37 -0.75 0
23655 605325 1 N2O3H10C11 A2B3C10D11 -41.61 3.72 -10.09 -1.04 0
23656 605328 2 C7H10 A7B10 35.06 0.08 -7.7 0.71 -4
23657 605329 1 O2N3C20H23 A2B3C20D23 -54.87 3.76 -8.73 -0.5 0
23658 605330 1 OCl2C4N4 AB2C4D4 111.88 2.65 -11.0 -2.64 0
23659 605331 2 ClO3C6H6 AB3C6D6 -225.37 2.98 -9.38 -1.16 0
23660 605332 1 N2O3H6C9 A2B3C6D9 7.06 4.1 -9.58 -1.76 0
23661 605333 1 ON2S2C6H10 AB2C2D6E10 -19.62 1.79 -8.6 -0.64 0
23662 605348 1 NO2C12H17 AB2C12D17 -14.09 5.01 -10.14 -1.14 0
23663 605349 2 O2H3C5 A2B3C5 -86.74 1.73 -9.87 -1.83 0
23664 605350 1 O2N3F6H7C9 A2B3C6D7E9 -350.75 4.82 -10.37 -1.68 0
23665 605351 2 OC6H7 AB6C7 -62.17 3.81 -8.7 0.23 0
23666 605353 1 OCl3N3H12C14 AB3C3D12E14 -24.33 4.35 -9.26 -0.98 0
23667 605354 2 OSN3C5H8 ABC3D5E8 13.57 7.47 -9.45 -0.97 0