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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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52927 14709221 1 O3C13H26 A3B13C26 -181.77 3.81 -10.17 1.57 0
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52928 14709223 1 O3C11H22 A3B11C22 -166.01 1.73 -9.92 0.54 0
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52929 14709227 1 NH21C27 AB21C27 135.9 2.09 -9.15 -0.49 0
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52930 14709228 1 NH19C22 AB19C22 97.78 2.36 -8.71 -0.16 0
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52931 14709229 1 NC17H17 AB17C17 65.74 2.52 -8.69 0.12 0
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52932 14709232 2 NSH9C10 ABC9D10 90.62 3.07 -8.72 -0.66 0
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52933 14709234 1 NSC17H17 ABC17D17 51.55 0.96 -8.77 -0.34 0
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52934 14709235 1 NSC18H19 ABC18D19 40.92 1.63 -8.8 -0.19 0
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52935 14709236 1 NSC12H17 ABC12D17 -0.28 2.04 -8.62 0.26 0
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52936 14709238 1 KN2O2S2C11H13 AB2C2D2E11F13 -86.21 12.13 -7.55 -0.46 0
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52937 14709239 1 N2O2S2C11H14 A2B2C2D11E14 -28.57 2.28 -8.89 -0.95 0
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52938 14709245 1 N2O2S2C13H18 A2B2C2D13E18 -38.12 2.3 -8.9 -1.0 0
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52939 14709248 1 OSN4C13H18 ABC4D13E18 29.88 4.75 -8.66 -0.25 0
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52940 14709249 1 OS2N5C12H15 AB2C5D12E15 60.85 4.98 -8.68 -0.9 0
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52941 14709250 1 OS2N5C17H17 AB2C5D17E17 91.2 4.41 -8.71 -1.05 0
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52942 14709252 1 SO2N4C11H12 AB2C4D11E12 15.09 4.6 -8.84 -0.81 0
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52943 14709253 1 SO2N4C12H14 AB2C4D12E14 2.84 3.62 -8.67 -0.75 0
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52944 14709258 1 OSN6H14C18 ABC6D14E18 130.49 7.15 -8.85 -1.54 0
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52945 14709262 1 OSN6H20C21 ABC6D20E21 114.06 8.83 -8.82 -1.51 0
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52946 14709264 1 NSF3H12C16 ABC3D12E16 -74.83 5.45 -9.75 -1.01 0
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52947 14709265 1 ClNSF3H9C15 ABCD3E9F15 -74.61 3.26 -9.93 -1.14 0
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52948 14709268 1 OSH14C18 ABC14D18 31.72 1.84 -8.67 -0.6 0
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52949 14709269 1 SH12C18 AB12C18 72.33 1.73 -8.14 -1.09 0
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52950 14709271 1 SO2H16C18 AB2C16D18 -39.65 3.68 -8.88 -0.44 0
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52951 14709278 1 ON2C11H14 AB2C11D14 -11.38 2.7 -8.48 0.3 0
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52952 14709279 1 O2N3C18H19 A2B3C18D19 -20.63 1.95 -8.92 -0.28 0
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52953 14709280 1 O2N3C18H19 A2B3C18D19 -21.38 5.43 -8.71 -0.06 0
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52954 14709284 1 OSN3C20H23 ABC3D20E23 3.13 1.36 -9.02 -0.66 0
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52955 14709285 1 SO2N3C19H21 AB2C3D19E21 -20.38 1.14 -8.33 -0.59 0
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52956 14709286 1 ClOSN3C18H18 ABCD3E18F18 8.67 3.51 -8.88 -0.69 0
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52957 14709289 1 SO2N3C19H21 AB2C3D19E21 -20.4 6.07 -8.2 -0.25 0
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52958 14709291 1 O2N3C19H21 A2B3C19D21 -22.61 1.97 -8.93 -0.22 0
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52959 14709292 1 O2N3C20H23 A2B3C20D23 -35.59 1.65 -9.06 -0.35 0
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52960 14709294 1 O2N3C19H21 A2B3C19D21 -23.7 4.86 -9.06 0.05 0
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52961 14709297 1 OSN3C19H21 ABC3D19E21 27.16 0.63 -8.9 -0.46 0
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52962 14709299 1 OSN3H21C23 ABC3D21E23 62.71 3.85 -8.72 -0.3 0
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52963 14709301 1 OSN3H21C23 ABC3D21E23 63.54 5.43 -8.71 -0.24 0
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52964 14709302 1 BrNOC14H16 ABCD14E16 -16.88 4.82 -8.35 -0.36 1
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52965 14709303 1 NOC14H16 ABC14D16 2.12 3.22 0.0 0.0 0
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52966 14709304 1 BrNOC14H16 ABCD14E16 -10.24 4.7 -8.1 -0.34 0
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52967 14709307 1 BrNOC14H16 ABCD14E16 -11.93 5.33 -8.18 -0.25 1
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52968 14709309 1 NOC14H16 ABC14D16 1.71 2.17 0.0 0.0 0
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52969 14709310 1 BrNOC14H16 ABCD14E16 -4.99 11.1 -8.51 -1.65 0
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52970 14709312 1 BrNC14H14 ABC14D14 52.68 6.79 -7.79 -1.42 1
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52971 14709313 1 NC14H14 AB14C14 63.26 1.26 0.0 0.0 0
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52972 14709314 1 BrNC14H14 ABC14D14 51.03 6.21 -7.93 -1.42 0
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52973 14709316 1 ClNO4C14H14 ABC4D14E14 61.57 11.58 -9.62 -2.37 0
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52974 14709317 1 ClNO4C14H14 ABC4D14E14 57.3 14.79 -9.81 -2.35 0
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52975 14709318 1 ClNO4C14H14 ABC4D14E14 56.69 11.6 -9.83 -2.44 1
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52976 14709320 1 NC14H14 AB14C14 63.88 1.17 0.0 0.0 0
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52977 14709322 1 BrNC14H14 ABC14D14 45.48 3.34 -8.17 -0.73 0
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52978 14709329 1 ClNO4H12C14 ABC4D12E14 55.5 14.68 -10.0 -2.26 0
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52979 14709331 1 ClNO4H12C14 ABC4D12E14 56.12 14.45 -9.64 -2.17 1
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52980 14709332 1 NH12C14 AB12C14 57.59 0.2 0.0 0.0 0
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52981 14709335 1 BrNOC2H4 ABCD2E4 -1.55 1.33 -10.32 -0.73 1
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52982 14709337 1 NH14C15 AB14C15 53.57 1.42 0.0 0.0 1
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52983 14709339 1 NH12C14 AB12C14 62.32 0.59 0.0 0.0 0
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52984 14709340 1 ClNO4H12C14 ABC4D12E14 57.32 13.69 -9.87 -2.02 1
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52985 14709341 1 NH12C14 AB12C14 59.55 1.24 0.0 0.0 1
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52986 14709345 1 NH12C14 AB12C14 61.97 0.71 0.0 0.0 0
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52987 14709349 1 ClNO5C14H14 ABC5D14E14 7.84 11.38 -9.62 -2.61 0
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52988 14709350 1 ClNO5C14H14 ABC5D14E14 29.67 21.7 -9.36 -2.93 0
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52989 14709352 1 ClNO5C14H16 ABC5D14E16 -4.86 18.0 -9.68 -2.56 0
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52990 14709356 1 NOH13C17 ABC13D17 50.67 5.94 -8.48 -0.57 0
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52991 14709358 1 NOH13C17 ABC13D17 67.46 5.54 -8.53 -0.6 0
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52992 14709360 1 NOH21C25 ABC21D25 70.05 7.07 -8.42 -0.51 0
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52993 14709363 1 SN4O8C14H16 AB4C8D14E16 -319.22 1.84 -9.51 -1.07 0
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52994 14709366 1 SI2N4O6C14H14 AB2C4D6E14F14 -209.35 0.9 -9.93 -1.8 0
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52995 14709368 1 NOSC11H15 ABCD11E15 -29.98 5.58 -8.94 0.11 0
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52996 14709371 1 NOC10H19 ABC10D19 -79.32 3.3 -9.33 3.03 0
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52997 14709372 1 NOC11H19 ABC11D19 -67.48 2.12 -9.22 2.19 0
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52998 14709373 1 NOSC11H17 ABCD11E17 -58.82 7.83 -8.51 0.28 0
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52999 14709375 1 NOC12H21 ABC12D21 -59.33 2.74 -8.68 2.22 0
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53000 14709376 1 OSN2C12H20 ABC2D12E20 -63.36 5.98 -8.47 0.28 0
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53001 14709377 1 NS2O6H17C20 AB2C6D17E20 -136.21 9.08 -9.44 -1.92 0
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53002 14709383 1 N2O3S3H20C24 A2B3C3D20E24 -3.68 7.46 -8.33 -1.25 1
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53003 14709385 1 SN3H6C9 AB3C6D9 89.9 1.88 0.0 0.0 0
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53004 14709386 1 ClSN3O4H8C13 ABC3D4E8F13 113.34 13.24 -9.76 -2.51 1
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53005 14709387 1 SN3H8C13 AB3C8D13 103.3 1.94 0.0 0.0 0
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53006 14709388 1 ClSN3O4H10C14 ABC3D4E10F14 100.15 12.33 -9.65 -2.32 1
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53007 14709389 1 SN3H10C14 AB3C10D14 94.55 2.56 0.0 0.0 1
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53008 14709391 1 SN4H19C23 AB4C19D23 140.15 4.78 0.0 0.0 0
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53009 14709392 1 ClS2N4O4H17C23 AB2C4D4E17F23 160.03 22.88 -8.57 -2.96 0
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53010 14709394 1 ClSN4O4H21C27 ABC4D4E21F27 163.44 10.96 -8.19 -2.25 1
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53011 14709395 1 SN4H21C27 AB4C21D27 156.13 3.51 0.0 0.0 1
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53012 14709397 1 S2N6H17C29 A2B6C17D29 225.54 3.1 0.0 0.0 0
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53013 14709398 1 ClS2O4N6H21C37 AB2C4D6E21F37 178.22 5.23 -8.08 -1.5 1
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53014 14709399 1 S2N6H21C37 A2B6C21D37 255.04 1.51 0.0 0.0 0
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53015 14709401 2 O4C11H13 A4B11C13 -287.55 2.5 -8.33 0.02 0
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53016 14709402 1 ON2S2C5H6 AB2C2D5E6 -5.33 2.78 -8.96 -1.37 0
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53017 14709403 1 N2S2O3C7H8 A2B2C3D7E8 -91.71 4.11 -9.69 -1.66 0
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53018 14709406 1 Cl2N2O2S2H12C21 A2B2C2D2E12F21 21.88 4.39 -9.39 -1.76 0
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53019 14709408 1 S2O3N4H12C13 A2B3C4D12E13 -15.47 3.58 -9.31 -1.67 0
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53020 14709409 1 S2O3N4C14H14 A2B3C4D14E14 -24.86 3.13 -9.34 -1.63 0
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53021 14709411 1 ClO2S2N4H9C13 AB2C2D4E9F13 15.41 3.54 -9.02 -1.47 0
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53022 14709412 1 Cl2O2S2N6H12C19 A2B2C2D6E12F19 90.81 5.69 -9.42 -1.81 0
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53023 14709413 1 O2S2N6H14C19 A2B2C6D14E19 109.99 6.66 -9.34 -1.58 0
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53024 14709414 1 SN2O2H10C13 AB2C2D10E13 21.95 5.01 -9.21 -0.78 0
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53025 14709415 1 OSN2H10C13 ABC2D10E13 53.08 4.67 -9.56 -0.8 0
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53026 14709417 1 SN2O3H16C21 AB2C3D16E21 21.95 8.38 -8.83 -1.33 0