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"C1CNC1": {
"cid": 10422,
"pubchem_iupac": "azetidine",
"pubchem_formula": "C3H7N",
"pubchem_smiles": "C1CNC1",
"pubchem_mw": "57.09",
"pubchem_cas": "503-29-7"
},
"NCc1ccccc1": {
"cid": 7504,
"pubchem_iupac": "phenylmethanamine",
"pubchem_formula": "C7H9N",
"pubchem_smiles": "C1=CC=C(C=C1)CN",
"pubchem_mw": "107.15",
"pubchem_cas": "100-46-9"
},
"Cc1ccccc1N": {
"cid": 7242,
"pubchem_iupac": "2-methylaniline",
"pubchem_formula": "C7H9N",
"pubchem_smiles": "CC1=CC=CC=C1N",
"pubchem_mw": "107.15",
"pubchem_cas": "95-53-4"
},
"C1CCNC1": {
"cid": 31268,
"pubchem_iupac": "pyrrolidine",
"pubchem_formula": "C4H9N",
"pubchem_smiles": "C1CCNC1",
"pubchem_mw": "71.12",
"pubchem_cas": "123-75-1"
},
"Nc1ccc(O)cc1": {
"cid": 403,
"pubchem_iupac": "4-aminophenol",
"pubchem_formula": "C6H7NO",
"pubchem_smiles": "C1=CC(=CC=C1N)O",
"pubchem_mw": "109.13",
"pubchem_cas": "123-30-8"
},
"CC1COCCNC1C": {
"cid": 57973748,
"pubchem_iupac": "5,6-dimethyl-1,4-oxazepane",
"pubchem_formula": "C7H15NO",
"pubchem_smiles": "CC1COCCNC1C",
"pubchem_mw": "129.20",
"pubchem_cas": ""
},
"CC(C)(C)OC(=O)N1CCNCC1": {
"cid": 143452,
"pubchem_iupac": "tert-butyl piperazine-1-carboxylate",
"pubchem_formula": "C9H18N2O2",
"pubchem_smiles": "CC(C)(C)OC(=O)N1CCNCC1",
"pubchem_mw": "186.25",
"pubchem_cas": "57260-71-6"
},
"Nc1ccccc1Cl": {
"cid": 7240,
"pubchem_iupac": "2-chloroaniline",
"pubchem_formula": "C6H6ClN",
"pubchem_smiles": "C1=CC=C(C(=C1)N)Cl",
"pubchem_mw": "127.57",
"pubchem_cas": "95-51-2"
},
"Nc1ccccc1O": {
"cid": 5801,
"pubchem_iupac": "2-aminophenol",
"pubchem_formula": "C6H7NO",
"pubchem_smiles": "C1=CC=C(C(=C1)N)O",
"pubchem_mw": "109.13",
"pubchem_cas": "95-55-6"
},
"Nc1ccc(Br)cc1": {
"cid": 7807,
"pubchem_iupac": "4-bromoaniline",
"pubchem_formula": "C6H6BrN",
"pubchem_smiles": "C1=CC(=CC=C1N)Br",
"pubchem_mw": "172.02",
"pubchem_cas": "106-40-1"
},
"COc1cccc(N)c1": {
"cid": 10824,
"pubchem_iupac": "3-methoxyaniline",
"pubchem_formula": "C7H9NO",
"pubchem_smiles": "COC1=CC=CC(=C1)N",
"pubchem_mw": "123.15",
"pubchem_cas": "536-90-3"
},
"CC1CN(C(=O)OC(C)(C)C)CC(C)N1": {
"cid": 22219990,
"pubchem_iupac": "tert-butyl 3,5-dimethylpiperazine-1-carboxylate",
"pubchem_formula": "C11H22N2O2",
"pubchem_smiles": "CC1CN(CC(N1)C)C(=O)OC(C)(C)C",
"pubchem_mw": "214.30",
"pubchem_cas": "639068-43-2"
},
"CNCCNC": {
"cid": 8070,
"pubchem_iupac": "N,N'-dimethylethane-1,2-diamine",
"pubchem_formula": "C4H12N2",
"pubchem_smiles": "CNCCNC",
"pubchem_mw": "88.15",
"pubchem_cas": "110-70-3"
},
"Nc1cccc(O)c1": {
"cid": 11568,
"pubchem_iupac": "3-aminophenol",
"pubchem_formula": "C6H7NO",
"pubchem_smiles": "C1=CC(=CC(=C1)O)N",
"pubchem_mw": "109.13",
"pubchem_cas": "591-27-5"
},
"Nc1ccc(F)cc1": {
"cid": 9731,
"pubchem_iupac": "4-fluoroaniline",
"pubchem_formula": "C6H6FN",
"pubchem_smiles": "C1=CC(=CC=C1N)F",
"pubchem_mw": "111.12",
"pubchem_cas": "371-40-4"
},
"Nc1cccc(C(F)(F)F)c1": {
"cid": 7375,
"pubchem_iupac": "3-(trifluoromethyl)aniline",
"pubchem_formula": "C7H6F3N",
"pubchem_smiles": "C1=CC(=CC(=C1)N)C(F)(F)F",
"pubchem_mw": "161.12",
"pubchem_cas": "98-16-8"
},
"Brc1ccc2c(c1)NCCC2": {
"cid": 13865047,
"pubchem_iupac": "7-bromo-1,2,3,4-tetrahydroquinoline",
"pubchem_formula": "C9H10BrN",
"pubchem_smiles": "C1CC2=C(C=C(C=C2)Br)NC1",
"pubchem_mw": "212.09",
"pubchem_cas": "114744-51-3"
},
"C1CCCNCC1": {
"cid": 8119,
"pubchem_iupac": "azepane",
"pubchem_formula": "C6H13N",
"pubchem_smiles": "C1CCCNCC1",
"pubchem_mw": "99.17",
"pubchem_cas": "111-49-9"
},
"NCc1ccccc1Br": {
"cid": 334072,
"pubchem_iupac": "(2-bromophenyl)methanamine",
"pubchem_formula": "C7H8BrN",
"pubchem_smiles": "C1=CC=C(C(=C1)CN)Br",
"pubchem_mw": "186.05",
"pubchem_cas": "3959-05-5"
},
"NCc1cccc(Br)c1": {
"cid": 457587,
"pubchem_iupac": "(3-bromophenyl)methanamine",
"pubchem_formula": "C7H8BrN",
"pubchem_smiles": "C1=CC(=CC(=C1)Br)CN",
"pubchem_mw": "186.05",
"pubchem_cas": "10269-01-9"
},
"Nc1cccc(Cl)c1": {
"cid": 7932,
"pubchem_iupac": "3-chloroaniline",
"pubchem_formula": "C6H6ClN",
"pubchem_smiles": "C1=CC(=CC(=C1)Cl)N",
"pubchem_mw": "127.57",
"pubchem_cas": "108-42-9"
},
"Nc1ccc(C(F)(F)F)cc1": {
"cid": 9964,
"pubchem_iupac": "4-(trifluoromethyl)aniline",
"pubchem_formula": "C7H6F3N",
"pubchem_smiles": "C1=CC(=CC=C1C(F)(F)F)N",
"pubchem_mw": "161.12",
"pubchem_cas": "455-14-1"
},
"C1CNCCN1": {
"cid": 4837,
"pubchem_iupac": "piperazine",
"pubchem_formula": "C4H10N2",
"pubchem_smiles": "C1CNCCN1",
"pubchem_mw": "86.14",
"pubchem_cas": "110-85-0"
},
"C1CCNCC1": {
"cid": 8082,
"pubchem_iupac": "piperidine",
"pubchem_formula": "C5H11N",
"pubchem_smiles": "C1CCNCC1",
"pubchem_mw": "85.15",
"pubchem_cas": "110-89-4"
},
"NCc1ccc(Br)cc1": {
"cid": 77571,
"pubchem_iupac": "(4-bromophenyl)methanamine",
"pubchem_formula": "C7H8BrN",
"pubchem_smiles": "C1=CC(=CC=C1CN)Br",
"pubchem_mw": "186.05",
"pubchem_cas": "3959-07-7"
},
"NCc1ccccc1Cl": {
"cid": 66648,
"pubchem_iupac": "(2-chlorophenyl)methanamine",
"pubchem_formula": "C7H8ClN",
"pubchem_smiles": "C1=CC=C(C(=C1)CN)Cl",
"pubchem_mw": "141.60",
"pubchem_cas": "89-97-4"
},
"COc1ccc(N)cc1": {
"cid": 7732,
"pubchem_iupac": "4-methoxyaniline",
"pubchem_formula": "C7H9NO",
"pubchem_smiles": "COC1=CC=C(C=C1)N",
"pubchem_mw": "123.15",
"pubchem_cas": "104-94-9"
},
"CCOc1c(OCC)c(=O)c1=O": {
"cid": 123228,
"pubchem_iupac": "3,4-diethoxycyclobut-3-ene-1,2-dione",
"pubchem_formula": "C8H10O4",
"pubchem_smiles": "CCOC1=C(C(=O)C1=O)OCC",
"pubchem_mw": "170.16",
"pubchem_cas": "5231-87-8"
},
"Nc1ccccc1Br": {
"cid": 11992,
"pubchem_iupac": "2-bromoaniline",
"pubchem_formula": "C6H6BrN",
"pubchem_smiles": "C1=CC=C(C(=C1)N)Br",
"pubchem_mw": "172.02",
"pubchem_cas": "615-36-1"
},
"Nc1ccccc1": {
"cid": 6115,
"pubchem_iupac": "aniline",
"pubchem_formula": "C6H7N",
"pubchem_smiles": "C1=CC=C(C=C1)N",
"pubchem_mw": "93.13",
"pubchem_cas": "62-53-3"
},
"Nc1ccc(Cl)cc1": {
"cid": 7812,
"pubchem_iupac": "4-chloroaniline",
"pubchem_formula": "C6H6ClN",
"pubchem_smiles": "C1=CC(=CC=C1N)Cl",
"pubchem_mw": "127.57",
"pubchem_cas": "106-47-8"
},
"Cc1cccc(N)c1": {
"cid": 7934,
"pubchem_iupac": "3-methylaniline",
"pubchem_formula": "C7H9N",
"pubchem_smiles": "CC1=CC(=CC=C1)N",
"pubchem_mw": "107.15",
"pubchem_cas": "108-44-1"
},
"NCc1ccc(Cl)cc1": {
"cid": 66036,
"pubchem_iupac": "(4-chlorophenyl)methanamine",
"pubchem_formula": "C7H8ClN",
"pubchem_smiles": "C1=CC(=CC=C1CN)Cl",
"pubchem_mw": "141.60",
"pubchem_cas": "104-86-9"
},
"C1CSCN1": {
"cid": 10444,
"pubchem_iupac": "1,3-thiazolidine",
"pubchem_formula": "C3H7NS",
"pubchem_smiles": "C1CSCN1",
"pubchem_mw": "89.16",
"pubchem_cas": "504-78-9"
},
"C1COCCN1": {
"cid": 8083,
"pubchem_iupac": "morpholine",
"pubchem_formula": "C4H9NO",
"pubchem_smiles": "C1COCCN1",
"pubchem_mw": "87.12",
"pubchem_cas": "110-91-8"
},
"O=S1(=O)CCNCC1": {
"cid": 6484228,
"pubchem_iupac": "1,4-thiazinane 1,1-dioxide",
"pubchem_formula": "C4H9NO2S",
"pubchem_smiles": "C1CS(=O)(=O)CCN1",
"pubchem_mw": "135.19",
"pubchem_cas": "39093-93-1"
},
"CC(N)CNC(C)C": {
"cid": 21491528,
"pubchem_iupac": "1-N-propan-2-ylpropane-1,2-diamine",
"pubchem_formula": "C6H16N2",
"pubchem_smiles": "CC(C)NCC(C)N",
"pubchem_mw": "116.20",
"pubchem_cas": "64034-07-7"
},
"Nc1cccc(Br)c1": {
"cid": 11562,
"pubchem_iupac": "3-bromoaniline",
"pubchem_formula": "C6H6BrN",
"pubchem_smiles": "C1=CC(=CC(=C1)Br)N",
"pubchem_mw": "172.02",
"pubchem_cas": "591-19-5"
},
"C1CNCSC1": {
"cid": 120280,
"pubchem_iupac": "1,3-thiazinane",
"pubchem_formula": "C4H9NS",
"pubchem_smiles": "C1CNCSC1",
"pubchem_mw": "103.19",
"pubchem_cas": "543-71-5"
},
"Cc1ccc(N)cc1": {
"cid": 7813,
"pubchem_iupac": "4-methylaniline",
"pubchem_formula": "C7H9N",
"pubchem_smiles": "CC1=CC=C(C=C1)N",
"pubchem_mw": "107.15",
"pubchem_cas": "106-49-0"
},
"COc1ccccc1N": {
"cid": 7000,
"pubchem_iupac": "2-methoxyaniline",
"pubchem_formula": "C7H9NO",
"pubchem_smiles": "COC1=CC=CC=C1N",
"pubchem_mw": "123.15",
"pubchem_cas": "90-04-0"
}
} |