primary_name string | cas_number string | cid int64 | iupac_name string | canonical_smiles string | inchi string | inchi_key string | molecular_formula string | molecular_weight float64 | exact_mass float64 | xlogp float64 | tpsa float64 | complexity int64 | charge int64 | h_bond_donor_count int64 | h_bond_acceptor_count int64 | rotatable_bond_count int64 | heavy_atom_count int64 | flash_point string | boiling_point string | acute_aquatic_toxicity int64 | acute_toxicity_dermal int64 | acute_toxicity_inhalation int64 | acute_toxicity_oral int64 | aspiration_hazard int64 | carcinogenicity int64 | chronic_aquatic_toxicity int64 | eye_damage_irritation int64 | flammable_liquids int64 | flammable_solids int64 | germ_cell_mutagenicity int64 | metal_corrosion int64 | organic_peroxides int64 | reproductive_toxicity int64 | respiratory_sensitization int64 | self_reactive_substances int64 | skin_corrosion_irritation int64 | skin_sensitization int64 | stot_repeated_exposure int64 | stot_single_exposure int64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Phosphorodithioic acid, O,O-diethyl S-(2-(ethylsulfonyl)ethyl)ester | 6/5/97 | 17,241 | diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane | CCOP(=S)(OCC)SCCS(=O)(=O)CC | InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3 | BKVJOVPVLOJPKJ-UHFFFAOYSA-N | C8H19O4PS3 | 306.4 | 306.01831 | 1.9 | 118 | 313 | 0 | 0 | 6 | 9 | 16 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
t-Butylamine, N-methyl-N-nitroso- | 2504-18-9 | 75,630 | N-tert-butyl-N-methylnitrous amide | CC(C)(C)N(C)N=O | InChI=1S/C5H12N2O/c1-5(2,3)7(4)6-8/h1-4H3 | YDNOESAJRGHRAE-UHFFFAOYSA-N | C5H12N2O | 116.16 | 116.094963 | 0.8 | 32.7 | 84 | 0 | 0 | 3 | 1 | 8 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
Ethylene glycol, bis(trichloroacetate) | 2514-53-6 | 17,284 | 2-(2,2,2-trichloroacetyl)oxyethyl 2,2,2-trichloroacetate | C(COC(=O)C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl | InChI=1S/C6H4Cl6O4/c7-5(8,9)3(13)15-1-2-16-4(14)6(10,11)12/h1-2H2 | SSDZRWBPFCFZGB-UHFFFAOYSA-N | C6H4Cl6O4 | 352.8 | 351.821125 | 3.7 | 52.6 | 239 | 0 | 0 | 4 | 5 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Acetic acid, 2-butoxy- | 2516-93-0 | 41,958 | 2-butoxyacetic acid | CCCCOCC(=O)O | InChI=1S/C6H12O3/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8) | AJQOASGWDCBKCJ-UHFFFAOYSA-N | C6H12O3 | 132.16 | 132.078644 | 0.9 | 46.5 | 80 | 0 | 1 | 3 | 5 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Phosphorodithioic acid, O,O,S-triethyl ester | 9/6/24 | 17,306 | diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane | CCOP(=S)(OCC)SCC | InChI=1S/C6H15O2PS2/c1-4-7-9(10,8-5-2)11-6-3/h4-6H2,1-3H3 | BZVCTTJRBWHTOF-UHFFFAOYSA-N | C6H15O2PS2 | 214.3 | 214.025109 | 2.8 | 75.9 | 131 | 0 | 0 | 4 | 6 | 11 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
9,12-Octadecadienoic acid, (9Z,12E)- | 2540-56-9 | 5,280,644 | (9Z,11E)-octadeca-9,11-dienoic acid | CCCCCC/C=C/C=C\CCCCCCCC(=O)O | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9- | JBYXPOFIGCOSSB-GOJKSUSPSA-N | C18H32O2 | 280.4 | 280.24023 | 7.1 | 37.3 | 267 | 0 | 1 | 2 | 14 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Phosphorochloridic acid, diisopropyl ester | 2574-25-6 | 164,989 | 2-[chloro(propan-2-yloxy)phosphoryl]oxypropane | CC(C)OP(=O)(OC(C)C)Cl | InChI=1S/C6H14ClO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3 | GUFGWNUUDBGEGH-UHFFFAOYSA-N | C6H14ClO3P | 200.6 | 200.036909 | 1.4 | 35.5 | 144 | 0 | 0 | 3 | 4 | 11 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Propionohydroxamic acid | 2580-63-4 | 75,743 | N-hydroxypropanamide | CCC(=O)NO | InChI=1S/C3H7NO2/c1-2-3(5)4-6/h6H,2H2,1H3,(H,4,5) | RSIPQHOWTCNEBI-UHFFFAOYSA-N | C3H7NO2 | 89.09 | 89.047678 | -0.5 | 49.3 | 52 | 0 | 2 | 2 | 1 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Phosphorodithioic acid, O,O-diethyl S-((ethylsulfinyl)methyl) ester | 3/6/88 | 17,424 | diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane | CCOP(=S)(OCC)SCS(=O)CC | InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3 | XRQHTUDGPWMPKX-UHFFFAOYSA-N | C7H17O3PS3 | 276.4 | 276.007745 | 3.5 | 112 | 212 | 0 | 0 | 6 | 8 | 14 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Phosphorodithioic acid, O,O-diethyl S-((ethylsulfonyl)methyl) ester | 4/7/88 | 17,425 | diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane | CCOP(=S)(OCC)SCS(=O)(=O)CC | InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3 | YVPSNUIHHFTTRL-UHFFFAOYSA-N | C7H17O4PS3 | 292.4 | 292.00266 | 3.7 | 118 | 299 | 0 | 0 | 6 | 8 | 15 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Carbamic acid, acetyl-, ethyl ester | 2597-54-8 | 17,436 | ethyl N-acetylcarbamate | CCOC(=O)NC(=O)C | InChI=1S/C5H9NO3/c1-3-9-5(8)6-4(2)7/h3H2,1-2H3,(H,6,7,8) | CLLOFODTUXGHHT-UHFFFAOYSA-N | C5H9NO3 | 131.13 | 131.058243 | 0.1 | 55.4 | 121 | 0 | 1 | 3 | 2 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Propanenitrile, 2,3-dichloro- | 2601-89-0 | 92,935 | 2,3-dichloropropanenitrile | C(C(C#N)Cl)Cl | InChI=1S/C3H3Cl2N/c4-1-3(5)2-6/h3H,1H2 | RJJDLPQZNANQDQ-UHFFFAOYSA-N | C3H3Cl2N | 123.97 | 122.964255 | 1.2 | 23.8 | 72 | 0 | 0 | 1 | 1 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,3-Propanediol, 2-isopropyl- | 2612-27-3 | 200,734 | 2-propan-2-ylpropane-1,3-diol | CC(C)C(CO)CO | InChI=1S/C6H14O2/c1-5(2)6(3-7)4-8/h5-8H,3-4H2,1-2H3 | VVOISBSEMFDYNE-UHFFFAOYSA-N | C6H14O2 | 118.17 | 118.09938 | 0.4 | 40.5 | 48 | 0 | 2 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Glycinamide, N-acetyl- | 2620-63-5 | 28,326 | 2-acetamidoacetamide | CC(=O)NCC(=O)N | InChI=1S/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7) | WQELDIQOHGAHEM-UHFFFAOYSA-N | C4H8N2O2 | 116.12 | 116.058578 | -1.8 | 72.2 | 111 | 0 | 2 | 2 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
L-Cysteine, S-ethyl- | 2629-59-6 | 92,185 | (2R)-2-amino-3-ethylsulfanylpropanoic acid | CCSC[C@@H](C(=O)O)N | InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 | ULXKXLZEOGLCRJ-BYPYZUCNSA-N | C5H11NO2S | 149.21 | 149.05105 | -2.3 | 88.6 | 97 | 0 | 2 | 4 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Acrolein, 3,3-dichloro- | 2648-51-3 | 17,554 | 3,3-dichloroprop-2-enal | C(=C(Cl)Cl)C=O | InChI=1S/C3H2Cl2O/c4-3(5)1-2-6/h1-2H | YCOYDSQEOWWYDT-UHFFFAOYSA-N | C3H2Cl2O | 124.95 | 123.94827 | 1.4 | 17.1 | 72 | 0 | 0 | 1 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Carbonic acid, dithio-, O-propyl ester, potassium salt | 2720-67-4 | 23,691,005 | potassium propoxymethanedithioate | CCCOC(=S)[S-].[K+] | InChI=1S/C4H8OS2.K/c1-2-3-5-4(6)7;/h2-3H2,1H3,(H,6,7);/q;+1/p-1 | NZUFLKMNMAHESJ-UHFFFAOYSA-M | C4H7KOS2 | 174.3 | 173.957539 | null | 42.3 | 67 | 0 | 0 | 3 | 3 | 8 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Carbonic acid, dithio-, O-hexyl ester, potassium salt | 2720-76-5 | 23,691,006 | potassium hexoxymethanedithioate | CCCCCCOC(=S)[S-].[K+] | InChI=1S/C7H14OS2.K/c1-2-3-4-5-6-8-7(9)10;/h2-6H2,1H3,(H,9,10);/q;+1/p-1 | ZTHBGWDIOJXYNC-UHFFFAOYSA-M | C7H13KOS2 | 216.4 | 216.004489 | null | 42.3 | 98 | 0 | 0 | 3 | 6 | 11 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Stannane, dibromodimethyl- | 2767-47-7 | 165,027 | dibromo(dimethyl)stannane | C[Sn](C)(Br)Br | InChI=1S/2CH3.2BrH.Sn/h2*1H3;2*1H;/q;;;;+2/p-2 | DOHQOGRRQASQAR-UHFFFAOYSA-L | C2H6Br2Sn | 308.59 | 309.78378 | null | 0 | 30 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Propionaldehyde, 3-ethoxy- | 2806-85-1 | 17,755 | 3-ethoxypropanal | CCOCCC=O | InChI=1S/C5H10O2/c1-2-7-5-3-4-6/h4H,2-3,5H2,1H3 | RKSGQXSDRYHVTM-UHFFFAOYSA-N | C5H10O2 | 102.13 | 102.06808 | -0.1 | 26.3 | 43 | 0 | 0 | 2 | 4 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,3-Propanediol, 2-tert-butyl- | 5/8/19 | 100,226 | 2-tert-butylpropane-1,3-diol | CC(C)(C)C(CO)CO | InChI=1S/C7H16O2/c1-7(2,3)6(4-8)5-9/h6,8-9H,4-5H2,1-3H3 | LQPVVSDKTCYYBZ-UHFFFAOYSA-N | C7H16O2 | 132.2 | 132.11503 | 0.8 | 40.5 | 69 | 0 | 2 | 2 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Acetic acid, (tetradecylthio)- | 2921-20-2 | 114,924 | 2-tetradecylsulfanylacetic acid | CCCCCCCCCCCCCCSCC(=O)O | InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18) | IPBCWPPBAWQYOO-UHFFFAOYSA-N | C16H32O2S | 288.5 | 288.212301 | 7.1 | 62.6 | 195 | 0 | 1 | 3 | 15 | 19 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Phosphorocyanidic acid, O,O-diethyl ester | 2942-58-7 | 76,257 | diethoxyphosphorylformonitrile | CCOP(=O)(C#N)OCC | InChI=1S/C5H10NO3P/c1-3-8-10(7,5-6)9-4-2/h3-4H2,1-2H3 | ZWWWLCMDTZFSOO-UHFFFAOYSA-N | C5H10NO3P | 163.11 | 163.03983 | 0.3 | 59.3 | 173 | 0 | 0 | 4 | 4 | 10 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Stannane, tetraisopropyl- | 2949-42-0 | 18,063 | tetra(propan-2-yl)stannane | CC(C)[Sn](C(C)C)(C(C)C)C(C)C | InChI=1S/4C3H7.Sn/c4*1-3-2;/h4*3H,1-2H3; | NJASUIDIZMMYED-UHFFFAOYSA-N | C12H28Sn | 291.06 | 292.121303 | null | 0 | 108 | 0 | 0 | 0 | 4 | 13 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Citric acid, lanthanum(3+) salt(1:1) | 3002-52-6 | 87,302,278 | 2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum | C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[La] | InChI=1S/C6H8O7.La/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12); | KDEIPINVCPEDHK-UHFFFAOYSA-N | C6H8LaO7 | 331.03 | 330.933366 | null | 132 | 227 | 0 | 4 | 7 | 5 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Neodymium citrate | 3002-54-8 | 76,356 | 2-hydroxypropane-1,2,3-tricarboxylate;neodymium(3+) | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Nd+3] | InChI=1S/C6H8O7.Nd/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3 | HSULNFGSJFUXON-UHFFFAOYSA-K | C6H5NdO7 | 333.34 | 330.91126 | null | 141 | 211 | 0 | 1 | 7 | 2 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Butyramidine, hydrochloride | 3020-81-3 | 12,828,983 | butanimidamide;hydrochloride | CCCC(=N)N.Cl | InChI=1S/C4H10N2.ClH/c1-2-3-4(5)6;/h2-3H2,1H3,(H3,5,6);1H | STYCVEYASXULRN-UHFFFAOYSA-N | C4H11ClN2 | 122.6 | 122.061076 | null | 49.9 | 49 | 0 | 3 | 1 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Ether, 1,3-butadienyl methyl | 3036-66-6 | 5,462,719 | (1E)-1-methoxybuta-1,3-diene | CO/C=C/C=C | InChI=1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3/b5-4+ | KOCUMXQOUWPSLK-SNAWJCMRSA-N | C5H8O | 84.12 | 84.057515 | 1.5 | 9.2 | 55 | 0 | 0 | 1 | 2 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Acrolein, diethylacetal | 3054-95-3 | 62,477 | 3,3-diethoxyprop-1-ene | CCOC(C=C)OCC | InChI=1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3 | MCIPQLOKVXSHTD-UHFFFAOYSA-N | C7H14O2 | 130.18 | 130.09938 | 1.4 | 18.5 | 65 | 0 | 0 | 2 | 5 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
L-Glutamine, N-ethyl- | 3081-61-6 | 439,378 | (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid | CCNC(=O)CC[C@@H](C(=O)O)N | InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 | DATAGRPVKZEWHA-YFKPBYRVSA-N | C7H14N2O3 | 174.2 | 174.100442 | -3.6 | 92.4 | 170 | 0 | 3 | 4 | 5 | 12 | null | 214-216 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
Isobutyl sulfoxide | 3085-40-3 | 18,328 | 2-methyl-1-(2-methylpropylsulfinyl)propane | CC(C)CS(=O)CC(C)C | InChI=1S/C8H18OS/c1-7(2)5-10(9)6-8(3)4/h7-8H,5-6H2,1-4H3 | MCDJZKPTBCWNSJ-UHFFFAOYSA-N | C8H18OS | 162.3 | 162.107836 | 1.9 | 36.3 | 95 | 0 | 0 | 2 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
Ethanol, 2,2'-sulfinylbis- | 3085-45-8 | 18,330 | 2-(2-hydroxyethylsulfinyl)ethanol | C(CS(=O)CCO)O | InChI=1S/C4H10O3S/c5-1-3-8(7)4-2-6/h5-6H,1-4H2 | XHKPPUVICXLDRJ-UHFFFAOYSA-N | C4H10O3S | 138.19 | 138.035065 | -2.1 | 76.7 | 65 | 0 | 2 | 4 | 4 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Stannane, tributyl(oleoyloxy)- | 3090-35-5 | 16,684,076 | tributylstannyl (Z)-octadec-9-enoate | CCCCCCCC/C=C\CCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC | InChI=1S/C18H34O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/q;;;;+1/p-1/b10-9-;;;; | VAFVPAKNJFBOFX-HKIWRJGFSA-M | C30H60O2Sn | 571.5 | 572.361534 | null | 26.3 | 425 | 0 | 0 | 2 | 26 | 33 | null | null | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 |
Stannane, (lauroyloxy)tributyl- | 3090-36-6 | 16,683,295 | tributylstannyl dodecanoate | CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC | InChI=1S/C12H24O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3*1-3-4-2;/h2-11H2,1H3,(H,13,14);3*1,3-4H2,2H3;/q;;;;+1/p-1 | HFFZSMFXOBHQLV-UHFFFAOYSA-M | C24H50O2Sn | 489.4 | 490.283283 | null | 26.3 | 309 | 0 | 0 | 2 | 21 | 27 | null | null | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 |
Hexanoic acid, 2-butyl- | 3115-28-4 | 18,379 | 2-butylhexanoic acid | CCCCC(CCCC)C(=O)O | InChI=1S/C10H20O2/c1-3-5-7-9(10(11)12)8-6-4-2/h9H,3-8H2,1-2H3,(H,11,12) | KQYRYPXQPKPVSP-UHFFFAOYSA-N | C10H20O2 | 172.26 | 172.14633 | 3.2 | 37.3 | 113 | 0 | 1 | 2 | 7 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Phosphonium, tetrabutyl-, iodide | 3115-66-0 | 201,022 | tetrabutylphosphanium iodide | CCCC[P+](CCCC)(CCCC)CCCC.[I-] | InChI=1S/C16H36P.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1 | CCIYPTIBRAUPLQ-UHFFFAOYSA-M | C16H36IP | 386.33 | 386.15994 | null | 0 | 116 | 0 | 0 | 1 | 12 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-Butanesulfonamide | 4/5/44 | 18,460 | butane-1-sulfonamide | CCCCS(=O)(=O)N | InChI=1S/C4H11NO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7) | OVIZSQRQYWEGON-UHFFFAOYSA-N | C4H11NO2S | 137.2 | 137.05105 | 0.2 | 68.5 | 133 | 0 | 1 | 3 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-Butanesulfonamide, 4-chloro- | 6/7/44 | 18,461 | 4-chlorobutane-1-sulfonamide | C(CCCl)CS(=O)(=O)N | InChI=1S/C4H10ClNO2S/c5-3-1-2-4-9(6,7)8/h1-4H2,(H2,6,7,8) | JTGPQGWEMUOOCR-UHFFFAOYSA-N | C4H10ClNO2S | 171.65 | 171.012077 | 0.2 | 68.5 | 148 | 0 | 1 | 3 | 4 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Propene, 1-nitro- | 3156-70-5 | 637,919 | (E)-1-nitroprop-1-ene | C/C=C/[N+](=O)[O-] | InChI=1S/C3H5NO2/c1-2-3-4(5)6/h2-3H,1H3/b3-2+ | RIHXMHKNTLBIPJ-NSCUHMNNSA-N | C3H5NO2 | 87.08 | 87.032028 | 0.9 | 45.8 | 71 | 0 | 0 | 2 | 0 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,3-Pentanediol | 3174-67-2 | 151,085 | pentane-1,3-diol | CCC(CCO)O | InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3 | RUOPINZRYMFPBF-UHFFFAOYSA-N | C5H12O2 | 104.15 | 104.08373 | 0.2 | 40.5 | 37 | 0 | 2 | 2 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Ethanol, 2,2'-((2-aminoethyl)imino)bis- | 6/6/97 | 98,535 | 2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol | C(CN(CCO)CCO)N | InChI=1S/C6H16N2O2/c7-1-2-8(3-5-9)4-6-10/h9-10H,1-7H2 | CYOIAXUAIXVWMU-UHFFFAOYSA-N | C6H16N2O2 | 148.2 | 148.121178 | -1.3 | 69.7 | 64 | 0 | 3 | 4 | 6 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Thiopyrophosphoric acid, tetrapropyl ester | 3244-90-4 | 18,609 | dipropoxyphosphinothioyloxy-dipropoxy-sulfanylidene-lambda5-phosphane | CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC | InChI=1S/C12H28O5P2S2/c1-5-9-13-18(20,14-10-6-2)17-19(21,15-11-7-3)16-12-8-4/h5-12H2,1-4H3 | IIDFEIDMIKSJSV-UHFFFAOYSA-N | C12H28O5P2S2 | 378.4 | 378.08534 | 6 | 110 | 299 | 0 | 0 | 7 | 14 | 21 | 149 °C | 170 °C at l.0 mm Hg (Technical product, 93-96% pure) | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Stannane, acetoxytripropyl- | 3267-78-5 | 16,682,972 | tripropylstannyl acetate | CCC[Sn](CCC)(CCC)OC(=O)C | InChI=1S/3C3H7.C2H4O2.Sn/c3*1-3-2;1-2(3)4;/h3*1,3H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1 | LSBFRYCHYLHPSU-UHFFFAOYSA-M | C11H24O2Sn | 307.02 | 308.079833 | null | 26.3 | 152 | 0 | 0 | 2 | 8 | 14 | null | null | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Thiocyanic acid, chloromethyl ester | 3268-79-9 | 76,755 | chloromethyl thiocyanate | C(SC#N)Cl | InChI=1S/C2H2ClNS/c3-1-5-2-4/h1H2 | UXUCVNXUWOLPRU-UHFFFAOYSA-N | C2H2ClNS | 107.56 | 106.959648 | 1.6 | 49.1 | 53 | 0 | 0 | 2 | 1 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Guanidine, (2-(diethylamino)ethyl)-, sulfate (1:1) | 3272-63-7 | 230,052 | 2-[2-(diethylamino)ethyl]guanidine;sulfuric acid | CCN(CC)CCN=C(N)N.OS(=O)(=O)O | InChI=1S/C7H18N4.H2O4S/c1-3-11(4-2)6-5-10-7(8)9;1-5(2,3)4/h3-6H2,1-2H3,(H4,8,9,10);(H2,1,2,3,4) | WNPCZRJBOPAEFM-UHFFFAOYSA-N | C7H20N4O4S | 256.33 | 256.120526 | null | 151 | 195 | 0 | 4 | 6 | 5 | 16 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
Hexanoic acid, 2-propyl- | 3274-28-0 | 18,647 | 2-propylhexanoic acid | CCCCC(CCC)C(=O)O | InChI=1S/C9H18O2/c1-3-5-7-8(6-4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11) | HWXRWNDOEKHFTL-UHFFFAOYSA-N | C9H18O2 | 158.24 | 158.13068 | 3 | 37.3 | 110 | 0 | 1 | 2 | 6 | 11 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Propionic acid, 2,2,3-trichloro- | 3278-46-4 | 18,660 | 2,2,3-trichloropropanoic acid | C(C(C(=O)O)(Cl)Cl)Cl | InChI=1S/C3H3Cl3O2/c4-1-3(5,6)2(7)8/h1H2,(H,7,8) | QZEKHJXYZSJVCL-UHFFFAOYSA-N | C3H3Cl3O2 | 177.41 | 175.919862 | 1.5 | 37.3 | 101 | 0 | 1 | 2 | 2 | 8 | null | null | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-Butanone, 4-diethylamino- | 3299-38-5 | 18,694 | 4-(diethylamino)butan-2-one | CCN(CC)CCC(=O)C | InChI=1S/C8H17NO/c1-4-9(5-2)7-6-8(3)10/h4-7H2,1-3H3 | XLEOCTUCGZANAC-UHFFFAOYSA-N | C8H17NO | 143.23 | 143.131014 | 0.7 | 20.3 | 97 | 0 | 0 | 2 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Succinic acid, mercapto-, diethyl ester, S-ester with O,S-dimethyl phosphorodithioate | 12/5/44 | 91,529 | diethyl 2-[methoxy(methylsulfanyl)phosphoryl]sulfanylbutanedioate | CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)SC | InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(13,14-3)18-4/h8H,5-7H2,1-4H3 | LPQDGVLVYVULMX-UHFFFAOYSA-N | C10H19O6PS2 | 330.4 | 330.036068 | 1 | 130 | 349 | 0 | 0 | 8 | 11 | 19 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Propanedioic acid, methylene-, diethyl ester | 3377-20-6 | 95,118 | diethyl 2-methylidenepropanedioate | CCOC(=O)C(=C)C(=O)OCC | InChI=1S/C8H12O4/c1-4-11-7(9)6(3)8(10)12-5-2/h3-5H2,1-2H3 | BQHDXNZNSPVVKB-UHFFFAOYSA-N | C8H12O4 | 172.18 | 172.073559 | 1.5 | 52.6 | 175 | 0 | 0 | 4 | 6 | 12 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
1-Butene, 4-isothiocyanato- | 3386-97-8 | 76,922 | 4-isothiocyanatobut-1-ene | C=CCCN=C=S | InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2 | SKIHGKNFJKJXPX-UHFFFAOYSA-N | C5H7NS | 113.18 | 113.02992 | 2.7 | 44.5 | 92 | 0 | 0 | 2 | 3 | 7 | null | 163.00 to 164.00 °C. @ 760.00 mm Hg | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
Serine, 2-methyl- | 3398-40-1 | 94,309 | 2-amino-3-hydroxy-2-methylpropanoic acid | CC(CO)(C(=O)O)N | InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8) | CDUUKBXTEOFITR-UHFFFAOYSA-N | C4H9NO3 | 119.12 | 119.058243 | -3.9 | 83.6 | 103 | 0 | 3 | 4 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
tert-Butylamine, N-ethyl-N-nitroso- | 3398-69-4 | 18,835 | N-tert-butyl-N-ethylnitrous amide | CCN(C(C)(C)C)N=O | InChI=1S/C6H14N2O/c1-5-8(7-9)6(2,3)4/h5H2,1-4H3 | AEMBWNDIEFEPTH-UHFFFAOYSA-N | C6H14N2O | 130.19 | 130.110613 | 1.5 | 32.7 | 95 | 0 | 0 | 3 | 2 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Propane, 2-bromo-1,1-diethoxy- | 3400-55-3 | 103,001 | 2-bromo-1,1-diethoxypropane | CCOC(C(C)Br)OCC | InChI=1S/C7H15BrO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5H2,1-3H3 | AHIUAFXWZKCJLR-UHFFFAOYSA-N | C7H15BrO2 | 211.1 | 210.02554 | 2 | 18.5 | 72 | 0 | 0 | 2 | 5 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Butane, 1,2,3,4-tetrachloro- | 3405-32-1 | 18,854 | 1,2,3,4-tetrachlorobutane | C(C(C(CCl)Cl)Cl)Cl | InChI=1S/C4H6Cl4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2 | IXZVKECRTHXEEW-UHFFFAOYSA-N | C4H6Cl4 | 195.9 | 195.919411 | 2.7 | 0 | 48 | 0 | 0 | 0 | 3 | 8 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Acetic acid, 1-methylhydrazide | 3530-13-0 | 19,051 | N-methylacetohydrazide | CC(=O)N(C)N | InChI=1S/C3H8N2O/c1-3(6)5(2)4/h4H2,1-2H3 | XDIIJQFNVMXIJQ-UHFFFAOYSA-N | C3H8N2O | 88.11 | 88.063663 | -1 | 46.3 | 61 | 0 | 1 | 2 | 0 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Glycine, N-hydroxy- | 3545-78-6 | 19,070 | 2-(hydroxyamino)acetic acid | C(C(=O)O)NO | InChI=1S/C2H5NO3/c4-2(5)1-3-6/h3,6H,1H2,(H,4,5) | NPWGWQRXHVJJRD-UHFFFAOYSA-N | C2H5NO3 | 91.07 | 91.026943 | -3.3 | 69.6 | 52 | 0 | 3 | 4 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-Pentene, 1-chloro-5-methoxy- | 3577-82-0 | 5,781,154 | (E)-1-chloro-5-methoxypent-2-ene | COCC/C=C/CCl | InChI=1S/C6H11ClO/c1-8-6-4-2-3-5-7/h2-3H,4-6H2,1H3/b3-2+ | SJZGFAXZLBJENP-NSCUHMNNSA-N | C6H11ClO | 134.6 | 134.049843 | 1.4 | 9.2 | 61 | 0 | 0 | 1 | 4 | 8 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Propane, 1,1,1,3,3,3-hexachloro- | 3607-78-1 | 19,215 | 1,1,1,3,3,3-hexachloropropane | C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl | InChI=1S/C3H2Cl6/c4-2(5,6)1-3(7,8)9/h1H2 | BBEAZDGZMVABIC-UHFFFAOYSA-N | C3H2Cl6 | 250.8 | 249.825816 | 4.3 | 0 | 73 | 0 | 0 | 0 | 0 | 9 | null | null | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Octanal, 3,7-dimethyl-7-ethoxy- | 3613-33-0 | 160,707 | 7-ethoxy-3,7-dimethyloctanal | CCOC(C)(C)CCCC(C)CC=O | InChI=1S/C12H24O2/c1-5-14-12(3,4)9-6-7-11(2)8-10-13/h10-11H,5-9H2,1-4H3 | JACNKCPPJDIHTK-UHFFFAOYSA-N | C12H24O2 | 200.32 | 200.17763 | 2.5 | 26.3 | 152 | 0 | 0 | 2 | 8 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Isobutyric acid, hydrazide | 3619-17-8 | 19,239 | 2-methylpropanehydrazide | CC(C)C(=O)NN | InChI=1S/C4H10N2O/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7) | PLNNJQXIITYYTN-UHFFFAOYSA-N | C4H10N2O | 102.14 | 102.079313 | -0.6 | 55.1 | 70 | 0 | 2 | 2 | 1 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Acetonitrile, 2(N-methyl-N-nitroso)amino- | 3684-97-7 | 19,376 | N-(cyanomethyl)-N-methylnitrous amide | CN(CC#N)N=O | InChI=1S/C3H5N3O/c1-6(5-7)3-2-4/h3H2,1H3 | KJIVJRGXJXQEQK-UHFFFAOYSA-N | C3H5N3O | 99.09 | 99.043262 | 0 | 56.5 | 102 | 0 | 0 | 4 | 1 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,2,3-Propanetriamine, N(sup 1),N(sup 3)-bis(2-ethylhexyl)-2-methyl- | 3687-16-9 | 107,147 | 1-N,3-N-bis(2-ethylhexyl)-2-methylpropane-1,2,3-triamine | CCCCC(CC)CNCC(C)(CNCC(CC)CCCC)N | InChI=1S/C20H45N3/c1-6-10-12-18(8-3)14-22-16-20(5,21)17-23-15-19(9-4)13-11-7-2/h18-19,22-23H,6-17,21H2,1-5H3 | STNVDPRWLDHKCY-UHFFFAOYSA-N | C20H45N3 | 327.6 | 327.361348 | 4.9 | 50.1 | 233 | 0 | 3 | 3 | 16 | 23 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Phosphorothioic acid, S-(2-aminoethyl) ester, monosodium salt | 3724-89-8 | 16,219,168 | null | C(CSP(=O)(O)O)N.[Na] | InChI=1S/C2H8NO3PS.Na/c3-1-2-8-7(4,5)6;/h1-3H2,(H2,4,5,6); | CHBZJNGATWGSMX-UHFFFAOYSA-N | C2H8NNaO3PS | 180.12 | 179.986021 | null | 109 | 101 | 0 | 3 | 5 | 3 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Phosphorothioic acid, S-(((1-cyano-1-methyl-ethyl)carbamoyl)methyl) O,O-diethyl ester | 3734-95-0 | 77,322 | N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide | CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N | InChI=1S/C10H19N2O4PS/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11/h5-7H2,1-4H3,(H,12,13) | TWDJIKFUVRYBJF-UHFFFAOYSA-N | C10H19N2O4PS | 294.31 | 294.080315 | 0.4 | 114 | 367 | 0 | 1 | 6 | 8 | 18 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-Propene, 3-bromo-1-chloro- | 3737-00-6 | 6,433,386 | (E)-3-bromo-1-chloroprop-1-ene | C(/C=C/Cl)Br | InChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2/b3-1+ | AHUWMUAVZFJTOC-HNQUOIGGSA-N | C3H4BrCl | 155.42 | 153.91849 | 1.9 | 0 | 33 | 0 | 0 | 0 | 1 | 5 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Hexanoic acid, 3-methyl- | 3780-58-3 | 95,315 | 3-methylhexanoic acid | CCCC(C)CC(=O)O | InChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9) | NZQMQVJXSRMTCJ-UHFFFAOYSA-N | C7H14O2 | 130.18 | 130.09938 | 2.1 | 37.3 | 88 | 0 | 1 | 2 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Octan-1-ol, 5,5,6,6,7,7,8,8,8-nonafluoro- | 2/7/92 | 2,769,661 | 5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol | C(CCO)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C8H9F9O/c9-5(10,3-1-2-4-18)6(11,12)7(13,14)8(15,16)17/h18H,1-4H2 | FROXCSGRCWYTIE-UHFFFAOYSA-N | C8H9F9O | 292.14 | 292.050968 | 3.7 | 20.2 | 270 | 0 | 1 | 10 | 6 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
beta-Alanine, N,N-dimethyl-, methyl ester | 6/3/53 | 199,226 | methyl 3-(dimethylamino)propanoate | CN(C)CCC(=O)OC | InChI=1S/C6H13NO2/c1-7(2)5-4-6(8)9-3/h4-5H2,1-3H3 | VSFJOMFYABROHQ-UHFFFAOYSA-N | C6H13NO2 | 131.17 | 131.094629 | 0.1 | 29.5 | 91 | 0 | 0 | 3 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Propionic acid, 2,2'-azobis(2-methyl-, diethyl ester | 3879-07-0 | 107,185 | ethyl 3-[(3-ethoxy-2-methyl-3-oxopropyl)diazenyl]-2-methylpropanoate | CCOC(=O)C(C)CN=NCC(C)C(=O)OCC | InChI=1S/C12H22N2O4/c1-5-17-11(15)9(3)7-13-14-8-10(4)12(16)18-6-2/h9-10H,5-8H2,1-4H3 | ARPWRKXQMJBVJD-UHFFFAOYSA-N | C12H22N2O4 | 258.31 | 258.157957 | 1.8 | 77.3 | 264 | 0 | 0 | 6 | 10 | 18 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 |
3,5-Heptadien-2-one | 3916-64-1 | 643,537 | (3E,5E)-hepta-3,5-dien-2-one | C/C=C/C=C/C(=O)C | InChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h3-6H,1-2H3/b4-3+,6-5+ | SWGLACWOVFCDQS-VNKDHWASSA-N | C7H10O | 110.15 | 110.073165 | 1.4 | 17.1 | 120 | 0 | 0 | 1 | 2 | 8 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Ether, allyl vinyl | 3917-15-5 | 221,523 | 3-ethenoxyprop-1-ene | C=CCOC=C | InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2 | ZXABMDQSAABDMG-UHFFFAOYSA-N | C5H8O | 84.12 | 84.057515 | 1.5 | 9.2 | 47 | 0 | 0 | 1 | 3 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Acetic acid, 2-aminooxy-, ethyl ester, hydrochloride | 3919-73-1 | 12,283,957 | ethyl 2-aminooxyacetate;hydrochloride | CCOC(=O)CON.Cl | InChI=1S/C4H9NO3.ClH/c1-2-7-4(6)3-8-5;/h2-3,5H2,1H3;1H | IKCYQNSSQXAQHC-UHFFFAOYSA-N | C4H10ClNO3 | 155.58 | 155.034921 | null | 61.6 | 73 | 0 | 2 | 4 | 4 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-Propanol, 1,3-diethoxy- | 4043-59-8 | 77,664 | 1,3-diethoxypropan-2-ol | CCOCC(COCC)O | InChI=1S/C7H16O3/c1-3-9-5-7(8)6-10-4-2/h7-8H,3-6H2,1-2H3 | WIHIUTUAHOZVLE-UHFFFAOYSA-N | C7H16O3 | 148.2 | 148.109944 | 0 | 38.7 | 57 | 0 | 1 | 3 | 6 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
D-erythro-Hexosulose, 3-deoxy- | 4084-27-9 | 114,839 | (4S,5R)-4,5,6-trihydroxy-2-oxohexanal | C([C@@H]([C@@H](CO)O)O)C(=O)C=O | InChI=1S/C6H10O5/c7-2-4(9)1-5(10)6(11)3-8/h2,5-6,8,10-11H,1,3H2/t5-,6+/m0/s1 | ZGCHLOWZNKRZSN-NTSWFWBYSA-N | C6H10O5 | 162.14 | 162.052823 | -2.4 | 94.8 | 144 | 0 | 3 | 5 | 5 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-Propanethiol, 1-amino-, hydrochloride | 4146-16-1 | 145,727 | 1-aminopropane-2-thiol;hydrochloride | CC(CN)S.Cl | InChI=1S/C3H9NS.ClH/c1-3(5)2-4;/h3,5H,2,4H2,1H3;1H | HCZBCEYVAPRCDV-UHFFFAOYSA-N | C3H10ClNS | 127.64 | 127.022248 | null | 27 | 22 | 0 | 3 | 2 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Succinic acid, dihydrazide | 4146-43-4 | 72,491 | butanedihydrazide | C(CC(=O)NN)C(=O)NN | InChI=1S/C4H10N4O2/c5-7-3(9)1-2-4(10)8-6/h1-2,5-6H2,(H,7,9)(H,8,10) | HCOMFAYPHBFMKU-UHFFFAOYSA-N | C4H10N4O2 | 146.15 | 146.080376 | -2.8 | 110 | 119 | 0 | 4 | 4 | 3 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Hexanamide, 2-ethyl- | 4164-92-5 | 20,125 | 2-ethylhexanamide | CCCCC(CC)C(=O)N | InChI=1S/C8H17NO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10) | GMORVOQOIHISPT-UHFFFAOYSA-N | C8H17NO | 143.23 | 143.131014 | 2 | 43.1 | 101 | 0 | 1 | 1 | 5 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Butanoic acid, 2-chloro- | 4170-24-5 | 20,137 | 2-chlorobutanoic acid | CCC(C(=O)O)Cl | InChI=1S/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7) | RVBUZBPJAGZHSQ-UHFFFAOYSA-N | C4H7ClO2 | 122.55 | 122.013457 | 1.3 | 37.3 | 72 | 0 | 1 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-Pentyn-3-ol | 4187-86-4 | 92,981 | pent-1-yn-3-ol | CCC(C#C)O | InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3 | LBSKEFWQPNVWTP-UHFFFAOYSA-N | C5H8O | 84.12 | 84.057515 | 0.6 | 20.2 | 67 | 0 | 1 | 1 | 1 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Acrylic acid, 2-(bromomethyl)-, methyl ester | 4224-69-5 | 521,093 | methyl 2-(bromomethyl)prop-2-enoate | COC(=O)C(=C)CBr | InChI=1S/C5H7BrO2/c1-4(3-6)5(7)8-2/h1,3H2,2H3 | CFTUQSLVERGMHL-UHFFFAOYSA-N | C5H7BrO2 | 179.01 | 177.96294 | 1.3 | 26.3 | 109 | 0 | 0 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Propane, 1,1'-sulfinylbis- | 4253-91-2 | 20,252 | 1-propylsulfinylpropane | CCCS(=O)CCC | InChI=1S/C6H14OS/c1-3-5-8(7)6-4-2/h3-6H2,1-2H3 | BQCCJWMQESHLIT-UHFFFAOYSA-N | C6H14OS | 134.24 | 134.076536 | 1 | 36.3 | 62 | 0 | 0 | 2 | 4 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 |
1,2-Propanediol, (2S)- | 4254-15-3 | 439,846 | (2S)-propane-1,2-diol | C[C@@H](CO)O | InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1 | DNIAPMSPPWPWGF-VKHMYHEASA-N | C3H8O2 | 76.09 | 76.052429 | -0.9 | 40.5 | 20 | 0 | 2 | 2 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Phosphonium, tetraethyl-, iodide | 4317-06-0 | 199,508 | tetraethylphosphanium iodide | CC[P+](CC)(CC)CC.[I-] | InChI=1S/C8H20P.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1 | WKSYTZHMRBAPAO-UHFFFAOYSA-M | C8H20IP | 274.12 | 274.03474 | null | 0 | 47 | 0 | 0 | 1 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Pseudourea, 2-methyl-2-thio-, hydriodide | 4338-95-8 | 197,812 | methyl carbamimidothioate;hydroiodide | CSC(=N)N.I | InChI=1S/C2H6N2S.HI/c1-5-2(3)4;/h1H3,(H3,3,4);1H | LFXAECSQJSRSTP-UHFFFAOYSA-N | C2H7IN2S | 218.06 | 217.93747 | null | 75.2 | 42 | 0 | 3 | 2 | 1 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Butanenitrile, 3-hydroxy- | 6/3/68 | 107,273 | 3-hydroxybutanenitrile | CC(CC#N)O | InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3 | BYJAJQGCMSBKPB-UHFFFAOYSA-N | C4H7NO | 85.1 | 85.052764 | -0.3 | 44 | 70 | 0 | 1 | 2 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-Propenoic acid, 2-(hydroxymethyl)- | 4370-80-3 | 199,534 | 2-(hydroxymethyl)prop-2-enoic acid | C=C(CO)C(=O)O | InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h5H,1-2H2,(H,6,7) | AAMTXHVZOHPPQR-UHFFFAOYSA-N | C4H6O3 | 102.09 | 102.031694 | -0.5 | 57.5 | 95 | 0 | 2 | 3 | 2 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Hexanoic acid, 2-isopropyl-5-methyl- | 4384-07-0 | 20,404 | 5-methyl-2-propan-2-ylhexanoic acid | CC(C)CCC(C(C)C)C(=O)O | InChI=1S/C10H20O2/c1-7(2)5-6-9(8(3)4)10(11)12/h7-9H,5-6H2,1-4H3,(H,11,12) | ZOINHQMIOAPOSQ-UHFFFAOYSA-N | C10H20O2 | 172.26 | 172.14633 | 3.3 | 37.3 | 139 | 0 | 1 | 2 | 5 | 12 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Phosphinecarboxylic acid, dihydroxy-, oxide | 4428-95-9 | 3,415 | phosphonoformic acid | C(=O)(O)P(=O)(O)O | InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6) | ZJAOAACCNHFJAH-UHFFFAOYSA-N | CH3O5P | 126.01 | 125.97181 | -2 | 94.8 | 120 | 0 | 3 | 5 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
Butane, 1-isothiocyanato-4-(methylthio)- | 4430-36-8 | 78,160 | 1-isothiocyanato-4-methylsulfanylbutane | CSCCCCN=C=S | InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3 | IHQDGXUYTSZGOG-UHFFFAOYSA-N | C6H11NS2 | 161.3 | 161.033292 | 3 | 69.8 | 97 | 0 | 0 | 3 | 5 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Hexane, 1-isothiocyanato-6-(methylthio)- | 4430-39-1 | 165,224 | 1-isothiocyanato-6-methylsulfanylhexane | CSCCCCCCN=C=S | InChI=1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3 | YIBXPFAXPUDDTK-UHFFFAOYSA-N | C8H15NS2 | 189.3 | 189.064592 | 3.7 | 69.8 | 119 | 0 | 0 | 3 | 7 | 11 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
Butane, 1-isothiocyanato-4-(methylsulfinyl)- | 4478-93-7 | 5,350 | 1-isothiocyanato-4-methylsulfinylbutane | CS(=O)CCCCN=C=S | InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3 | SUVMJBTUFCVSAD-UHFFFAOYSA-N | C6H11NOS2 | 177.3 | 177.028206 | 1.4 | 80.7 | 152 | 0 | 0 | 4 | 5 | 10 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Hydroxylamine, N,O-dicarbamoyl- | 4543-62-8 | 145,754 | (carbamoylamino) carbamate | C(=O)(N)NOC(=O)N | InChI=1S/C2H5N3O3/c3-1(6)5-8-2(4)7/h(H2,4,7)(H3,3,5,6) | XCGWUIXOGKKOEY-UHFFFAOYSA-N | C2H5N3O3 | 119.08 | 119.033091 | -1.5 | 107 | 111 | 0 | 3 | 3 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Dodecanedinitrile | 4543-66-2 | 78,301 | dodecanedinitrile | C(CCCCCC#N)CCCCC#N | InChI=1S/C12H20N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-10H2 | AVQYXBDAZWIFTO-UHFFFAOYSA-N | C12H20N2 | 192.3 | 192.162649 | 2.8 | 47.6 | 179 | 0 | 0 | 2 | 9 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-Butanol, 4-(butylamino)- | 4543-95-7 | 20,669 | 4-(butylamino)butan-1-ol | CCCCNCCCCO | InChI=1S/C8H19NO/c1-2-3-6-9-7-4-5-8-10/h9-10H,2-8H2,1H3 | OPUJAKVDYGQVHP-UHFFFAOYSA-N | C8H19NO | 145.24 | 145.146664 | 1.6 | 32.3 | 57 | 0 | 2 | 2 | 7 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Allylamine, N-methyl-N-nitroso- | 4549-43-3 | 20,679 | N-methyl-N-prop-2-enylnitrous amide | CN(CC=C)N=O | InChI=1S/C4H8N2O/c1-3-4-6(2)5-7/h3H,1,4H2,2H3 | OWSNZTOUPZXKPJ-UHFFFAOYSA-N | C4H8N2O | 100.12 | 100.063663 | 0.8 | 32.7 | 72 | 0 | 0 | 3 | 2 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Acetamide, 2-hydrazino-, hydrochloride | 4666-66-4 | 20,791 | 2-hydrazinylacetamide;hydrochloride | C(C(=O)N)NN.Cl | InChI=1S/C2H7N3O.ClH/c3-2(6)1-5-4;/h5H,1,4H2,(H2,3,6);1H | LTKOCJDJKZTTNX-UHFFFAOYSA-N | C2H8ClN3O | 125.56 | 125.03559 | null | 81.1 | 52 | 0 | 4 | 3 | 2 | 7 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,2-Propanediol, 3-bromo- | 4704-77-2 | 20,827 | 3-bromopropane-1,2-diol | C(C(CBr)O)O | InChI=1S/C3H7BrO2/c4-1-3(6)2-5/h3,5-6H,1-2H2 | SIBFQOUHOCRXDL-UHFFFAOYSA-N | C3H7BrO2 | 154.99 | 153.96294 | -0.3 | 40.5 | 32 | 0 | 2 | 2 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Urea, chloroacetyl- | 4791-21-3 | 78,516 | N-carbamoyl-2-chloroacetamide | C(C(=O)NC(=O)N)Cl | InChI=1S/C3H5ClN2O2/c4-1-2(7)6-3(5)8/h1H2,(H3,5,6,7,8) | UIXTUDLFNOIGRA-UHFFFAOYSA-N | C3H5ClN2O2 | 136.54 | 136.003955 | -0.1 | 72.2 | 114 | 0 | 2 | 2 | 1 | 8 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Sulfonium, trimethyl-, chloride, S-oxide | 5034-06-0 | 197,819 | null | C[S+](=O)(C)C.[Cl-] | InChI=1S/C3H9OS.ClH/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1 | KQYWHJICYXXDSQ-UHFFFAOYSA-M | C3H9ClOS | 128.62 | 128.006264 | null | 18.1 | 53 | 0 | 0 | 2 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
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