我想要获得i每个sosmiles后对应的化学式
{
"SDQOutputSet": [
{
"status": {
"code": 0
},
"inputCount": 0,
"totalCount": 40448,
"collection": "compound",
"type": "flattable",
"rows": [
{
"cid": 117751210,
"mw": 304.38,
"polararea": 93.1,
"complexity": 273,
"xlogp": 1.5,
"heavycnt": 21,
"hbonddonor": 2,
"hbondacc": 6,
"rotbonds": 14,
"annothitcnt": 1,
"cidcdate": 20160223,
"cmpdname": "C(Cccc)(=O)occ(coc(cccc)=O)(CO)CO",
"cmpdsynonym": "C(CCCC)(=O)OCC(COC(CCCC)=O)(CO)CO|70146-31-5|[2,2-bis(hydroxymethyl)-3-pentanoyloxypropyl] pentanoate|SCHEMBL16308646|DTXSID00867610|2,2-Bis(hydroxymethyl)propane-1,3-diyl dipentanoate",
"inchi": "InChI=1S/C15H28O6/c1-3-5-7-13(18)20-11-15(9-16,10-17)12-21-14(19)8-6-4-2/h16-17H,3-12H2,1-2H3",
"inchikey": "GYADCNGJWOPCBG-UHFFFAOYSA-N",
"isosmiles": "CCCCC(=O)OCC(CO)(CO)COC(=O)CCCC",
"iupacname": "[2,2-bis(hydroxymethyl)-3-pentanoyloxypropyl] pentanoate",
"mf": "C15H28O6",
"sidsrcname": "BenchChem|EPA DSSTox|Google Patents|IBM|PATENTSCOPE (WIPO)|SureChEMBL|THE BioTek",
"depcatg": "Chemical Vendors|Curation Efforts|Governmental Organizations|Research and Development",
"annothits": "Patents"
},
{
"cid": 131748311,
"mw": 470.6,
"polararea": 12.9,
"complexity": 330,
"heavycnt": 24,
"hbonddonor": 0,
"hbondacc": 4,
"rotbonds": 10,
"annothitcnt": 3,
"cidcdate": 20171115,
"cmpdname": "C(CCC)[Sn](C1=NC=C(C=C1Cl)C(F)(F)F)(CCCC)CCCC",
"cmpdsynonym": "C(CCC)[Sn](C1=NC=C(C=C1Cl)C(F)(F)F)(CCCC)CCCC|tributyl-[3-chloro-5-(trifluoromethyl)-2-pyridyl]stannane|tributyl-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]stannane|1657031-62-3",
"inchi": "InChI=1S/C6H2ClF3N.3C4H9.Sn/c7-5-1-4(2-11-3-5)6(8,9)10;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;",
"inchikey": "WIPPAIBUBQXBGZ-UHFFFAOYSA-N",
"isosmiles": "CCCC[Sn](CCCC)(CCCC)C1=C(C=C(C=N1)C(F)(F)F)Cl",
"iupacname": "tributyl-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]stannane",
"mf": "C18H29ClF3NSn",
"sidsrcname": "BenchChem|Google Patents|NextMove Software|PATENTSCOPE (WIPO)",
"depcatg": "Chemical Vendors|Curation Efforts|Governmental Organizations|Research and Development",
"annothits": "Classification|Patents|Safety and Hazards"
},
{
"cid": 129627032,
"mw": 304.12,
"polararea": 36.3,
"complexity": 361,
"heavycnt": 21,
"hbonddonor": 0,
"hbondacc": 6,
"rotbonds": 4,
"annothitcnt": 1,
"cidcdate": 20170906,
"cmpdname": "CC1(OB(OC1(C)C)C=1C=NN(C=1)Cccc(F)(F)F)C",
"cmpdsynonym": "1940180-94-8|CC1(OB(OC1(C)C)C=1C=NN(C=1)CCCC(F)(F)F)C|4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(4,4,4-trifluorobutyl)pyrazole|AT22043|A1-05796|4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(4,4,4-trifluoro-butyl)-1H-pyrazole|4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(4,4,4-trifluorobutyl)-1H-pyrazole|4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-(4,4,4-TRIFLUOROBUTYL)-1H-PYRAZOLE",
"inchi": "InChI=1S/C13H20BF3N2O2/c1-11(2)12(3,4)21-14(20-11)10-8-18-19(9-10)7-5-6-13(15,16)17/h8-9H,5-7H2,1-4H3",
"inchikey": "NJJQIVNLWMAJPU-UHFFFAOYSA-N",
"isosmiles": "B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCCC(F)(F)F",
"iupacname": "4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(4,4,4-trifluorobutyl)pyrazole",
"mf": "C13H20BF3N2O2",
"sidsrcname": "A1 BioChem Labs|AstaTech, Inc.|BenchChem|Google Patents|Matrix Scientific|PATENTSCOPE (WIPO)|Smolecule|THE BioTek",
"depcatg": "Chemical Vendors|Governmental Organizations|Research and Development",
"annothits": "Patents"
},
{
"cid": 89523837,
"mw": 455.5,
"polararea": 75.4,
"complexity": 721,
"xlogp": 3.5,
"heavycnt": 33,
"hbonddonor": 1,
"hbondacc": 6,
"rotbonds": 7,
"annothitcnt": 5,
"cidcdate": 20150213,
"aids": "count:1",
"cmpdname": "C1N(C(=O)Cccc(C)(C)C(O)=O)ccc(C2=CC=CN=C22)=C1N2CC1=CC=C(F)C=C1F",
"cmpdsynonym": "1354802-68-8|C1N(C(=O)CCCC(C)(C)C(O)=O)CCC(C2=CC=CN=C22)=C1N2CC1=CC=C(F)C=C1F|6-[8-[(2,4-difluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2,2-dimethyl-6-oxohexanoic acid|CHEMBL3677651|SCHEMBL14892258|US9006246, 12(97)|6-(9-(2,4-Difluorobenzyl)-5H-pyrrolo[2,3-b:5,4-c']dipyridin-7(6H,8H,9H)-yl)-2,2-dimethyl-6-oxohexanoic acid",
"inchi": "InChI=1S/C25H27F2N3O3/c1-25(2,24(32)33)10-3-6-22(31)29-12-9-18-19-5-4-11-28-23(19)30(21(18)15-29)14-16-7-8-17(26)13-20(16)27/h4-5,7-8,11,13H,3,6,9-10,12,14-15H2,1-2H3,(H,32,33)",
"inchikey": "CSAXQCUNSNRORS-UHFFFAOYSA-N",
"isosmiles": "CC(C)(CCCC(=O)N1CCC2=C(C1)N(C3=C2C=CC=N3)CC4=C(C=C(C=C4)F)F)C(=O)O",
"iupacname": "6-[8-[(2,4-difluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2,2-dimethyl-6-oxohexanoic acid",
"mf": "C25H27F2N3O3",
"sidsrcname": "BenchChem|BindingDB|BLD Pharm|ChEMBL|Google Patents|IBM|PATENTSCOPE (WIPO)|Smolecule|SureChEMBL|THE BioTek",
"depcatg": "Chemical Vendors|Curation Efforts|Governmental Organizations|Research and Development",
"annothits": "Biological Test Results|Classification|Patents|Biological Test Results: Active|Biological Test Results: Micromolar"
},
{
"cid": 117984880,
"mw": 320.4,
"polararea": 79.7,
"complexity": 433,
"xlogp": 2.5,
"heavycnt": 23,
"hbonddonor": 1,
"hbondacc": 5,
"rotbonds": 6,
"annothitcnt": 1,
"cidcdate": 20160223,
"cmpdname": "C(=O)(O)Cccc1=NC=2N(cccc=2C=C1)C(=O)OC(C)(C)C",
"cmpdsynonym": "SCHEMBL16607425|C(=O)(O)CCCC1=NC=2N(CCCC=2C=C1)C(=O)OC(C)(C)C|1467822-57-6|4-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]butanoic acid",
"inchi": "InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-11-5-6-12-9-10-13(18-15(12)19)7-4-8-14(20)21/h9-10H,4-8,11H2,1-3H3,(H,20,21)",
"inchikey": "QDQRIVDXCBYKRG-UHFFFAOYSA-N",
"isosmiles": "CC(C)(C)OC(=O)N1CCCC2=C1N=C(C=C2)CCCC(=O)O",
"iupacname": "4-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]butanoic acid",
"mf": "C17H24N2O4",
"sidsrcname": "BenchChem|Google Patents|PATENTSCOPE (WIPO)|SureChEMBL",
"depcatg": "Chemical Vendors|Curation Efforts|Governmental Organizations|Research and Development",
"annothits": "Patents"
},
{
"cid": 154130340,
"mw": 366.4,
"polararea": 93.1,
"complexity": 365,
"xlogp": 4,
"heavycnt": 26,
"hbonddonor": 2,
"hbondacc": 6,
"rotbonds": 14,
"annothitcnt": 1,
"cidcdate": 20200814,
"cmpdname": "C(C1=CC=C(C(=O)Occ(cccc)O)C=C1)(=O)occ(cccc)O",
"inchi": "InChI=1S/C20H30O6/c1-3-5-7-17(21)13-25-19(23)15-9-11-16(12-10-15)20(24)26-14-18(22)8-6-4-2/h9-12,17-18,21-22H,3-8,13-14H2,1-2H3",
"inchikey": "DVUBEXTVTYYIGU-UHFFFAOYSA-N",
"isosmiles": "CCCCC(COC(=O)C1=CC=C(C=C1)C(=O)OCC(CCCC)O)O",
"iupacname": "bis(2-hydroxyhexyl) benzene-1,4-dicarboxylate",
"mf": "C20H30O6",
"sidsrcname": "Google Patents|PATENTSCOPE (WIPO)",
"depcatg": "Governmental Organizations|Research and Development",
"annothits": "Patents"
},
{
"cid": 18669893,
"mw": 1882.9,
"polararea": 0,
"complexity": 1450,
"heavycnt": 121,
"hbonddonor": 0,
"hbondacc": 3,
"rotbonds": 90,
"annothitcnt": 1,
"cidcdate": 20071204,
"cmpdname": "C(CCC)[Si](CCCC)(CCCC)C([Si](CCCC)(CCCC)CCCC)([Si](CCCC)(CCCC)CCCC)[Cr](C([Si](CCCC)(CCCC)CCCC)([Si](CCCC)(CCCC)CCCC)[Si](CCCC)(CCCC)CCCC)C([Si](CCCC)(CCCC)CCCC)([Si](CCCC)(CCCC)CCCC)[Si](CCCC)(CCCC)CCCC",
"inchi": "InChI=1S/3C37H81Si3.Cr/c3*1-10-19-28-38(29-20-11-2,30-21-12-3)37(39(31-22-13-4,32-23-14-5)33-24-15-6)40(34-25-16-7,35-26-17-8)36-27-18-9;/h3*10-36H2,1-9H3;/q3*-1;+3",
"inchikey": "XJPXRZPNSNHNGH-UHFFFAOYSA-N",
"isosmiles": "CCCC[Si](CCCC)(CCCC)[C-]([Si](CCCC)(CCCC)CCCC)[Si](CCCC)(CCCC)CCCC.CCCC[Si](CCCC)(CCCC)[C-]([Si](CCCC)(CCCC)CCCC)[Si](CCCC)(CCCC)CCCC.CCCC[Si](CCCC)(CCCC)[C-]([Si](CCCC)(CCCC)CCCC)[Si](CCCC)(CCCC)CCCC.[Cr+3]",
"iupacname": "bis(tributylsilyl)methyl-tributylsilane;chromium(3+)",
"mf": "C111H243CrSi9",
"sidsrcname": "Google Patents",
"depcatg": "Research and Development",
"annothits": "Patents"
},
{
"cid": 140639904,
"mw": 2141.4,
"polararea": 0,
"complexity": 2630,
"xlogp": 57.3,
"heavycnt": 152,
"hbonddonor": 0,
"hbondacc": 0,
"rotbonds": 85,
"annothitcnt": 1,
"cidcdate": 20191206,
"cmpdname": "C(Ccc)C1=C(C(=C(C=C1)P(C1=C(C(=C(C=C1)cccc)cccc)cccc)C(C(C)(P(C1=C(C(=C(C=C1)cccc)cccc)cccc)C1=C(C(=C(C=C1)cccc)cccc)cccc)P(C1=C(C(=C(C=C1)cccc)cccc)cccc)C1=C(C(=C(C=C1)cccc)cccc)cccc)(C)P(C1=C(C(=C(C=C1)cccc)cccc)cccc)C1=C(C(=C(C=C1)cccc)cccc)cccc)cccc)cccc",
"inchi": "InChI=1S/C148H238P4/c1-27-51-75-115-99-107-139(131(91-67-43-17)123(115)83-59-35-9)149(140-108-100-116(76-52-28-2)124(84-60-36-10)132(140)92-68-44-18)147(25,150(141-109-101-117(77-53-29-3)125(85-61-37-11)133(141)93-69-45-19)142-110-102-118(78-54-30-4)126(86-62-38-12)134(142)94-70-46-20)148(26,151(143-111-103-119(79-55-31-5)127(87-63-39-13)135(143)95-71-47-21)144-112-104-120(80-56-32-6)128(88-64-40-14)136(144)96-72-48-22)152(145-113-105-121(81-57-33-7)129(89-65-41-15)137(145)97-73-49-23)146-114-106-122(82-58-34-8)130(90-66-42-16)138(146)98-74-50-24/h99-114H,27-98H2,1-26H3",
"inchikey": "XARFOULXCUZXKI-UHFFFAOYSA-N",
"isosmiles": "CCCCC1=C(C(=C(C=C1)P(C2=C(C(=C(C=C2)CCCC)CCCC)CCCC)C(C)(C(C)(P(C3=C(C(=C(C=C3)CCCC)CCCC)CCCC)C4=C(C(=C(C=C4)CCCC)CCCC)CCCC)P(C5=C(C(=C(C=C5)CCCC)CCCC)CCCC)C6=C(C(=C(C=C6)CCCC)CCCC)CCCC)P(C7=C(C(=C(C=C7)CCCC)CCCC)CCCC)C8=C(C(=C(C=C8)CCCC)CCCC)CCCC)CCCC)CCCC",
"iupacname": "bis(2,3,4-tributylphenyl)-[2,3,3-tris[bis(2,3,4-tributylphenyl)phosphanyl]butan-2-yl]phosphane",
"mf": "C148H238P4",
"sidsrcname": "Google Patents|PATENTSCOPE (WIPO)",
"depcatg": "Governmental Organizations|Research and Development",
"annothits": "Patents"
},
{
"cid": 18669821,
"mw": 1515.9,
"polararea": 0,
"complexity": 1300,
"heavycnt": 100,
"hbonddonor": 0,
"hbondacc": 3,
"rotbonds": 63,
"annothitcnt": 1,
"cidcdate": 20071204,
"cmpdname": "C(CCC)[Si](CCCC)(CCCC)C(C1=CC=CC=C1)([Si](CCCC)(CCCC)CCCC)[Cr](C([Si](CCCC)(CCCC)CCCC)([Si](CCCC)(CCCC)CCCC)C1=CC=CC=C1)C([Si](CCCC)(CCCC)CCCC)([Si](CCCC)(CCCC)CCCC)C1=CC=CC=C1",
"inchi": "InChI=1S/3C31H59Si2.Cr/c3*1-7-13-24-32(25-14-8-2,26-15-9-3)31(30-22-20-19-21-23-30)33(27-16-10-4,28-17-11-5)29-18-12-6;/h3*19-23H,7-18,24-29H2,1-6H3;/q3*-1;+3",
"inchikey": "YNZHBFJEKUREPN-UHFFFAOYSA-N",
"isosmiles": "CCCC[Si](CCCC)(CCCC)[C-](C1=CC=CC=C1)[Si](CCCC)(CCCC)CCCC.CCCC[Si](CCCC)(CCCC)[C-](C1=CC=CC=C1)[Si](CCCC)(CCCC)CCCC.CCCC[Si](CCCC)(CCCC)[C-](C1=CC=CC=C1)[Si](CCCC)(CCCC)CCCC.[Cr+3]",
"iupacname": "chromium(3+);tributyl-[phenyl(tributylsilyl)methyl]silane",
"mf": "C93H177CrSi6",
"sidsrcname": "Google Patents",
"depcatg": "Research and Development",
"annothits": "Patents"
},
{
"cid": 18669948,
"mw": 1287.6,
"polararea": 0,
"complexity": 875,
"heavycnt": 82,
"hbonddonor": 0,
"hbondacc": 3,
"rotbonds": 60,
"annothitcnt": 1,
"cidcdate": 20071204,
"cmpdname": "C(CCC)[Si](CCCC)(CCCC)C([Si](CCCC)(CCCC)CCCC)[Cr](C([Si](CCCC)(CCCC)CCCC)[Si](CCCC)(CCCC)CCCC)C([Si](CCCC)(CCCC)CCCC)[Si](CCCC)(CCCC)CCCC",
"inchi": "InChI=1S/3C25H55Si2.Cr/c3*1-7-13-19-26(20-14-8-2,21-15-9-3)25-27(22-16-10-4,23-17-11-5)24-18-12-6;/h3*25H,7-24H2,1-6H3;/q3*-1;+3",
"inchikey": "LPQMJZNKASLAQA-UHFFFAOYSA-N",
"isosmiles": "CCCC[Si](CCCC)(CCCC)[CH-][Si](CCCC)(CCCC)CCCC.CCCC[Si](CCCC)(CCCC)[CH-][Si](CCCC)(CCCC)CCCC.CCCC[Si](CCCC)(CCCC)[CH-][Si](CCCC)(CCCC)CCCC.[Cr+3]",
"iupacname": "chromium(3+);tributyl(tributylsilylmethyl)silane",
"mf": "C75H165CrSi6",
"sidsrcname": "Google Patents",
"depcatg": "Research and Development",
"annothits": "Patents"
}
]
}
]
}
