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perfume e2e2 example --WIP #3

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51 changes: 51 additions & 0 deletions examples/perfume e2e example/ingest_files/acetate.csv
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IDENTIFIER: name,CLASSIFICATION: Component Type,PREPARATION STEP NAME,PROPERTY: Ref No,PROPERTY: CAS No,PROPERTY: EC No,PROPERTY: Description,PROPERTY: Regulations,PROPERTY: Function,PROPERTY: SMILES,PROPERTY: PRICE
CEDRENYL ACETATE,ACETATE,Procure ACETATE,39305, 1405-92-1, 215-789-9,"(3R-(3alpha,3abeta,7beta,8aalpha))-2,3,4,7,8,8a-Hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl Acetate",,PERFUMING,C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3COC(C)=O,10.17417586
TRANS-DIHYDROPSEUDOIONYL ACETATE,ACETATE,Procure ACETATE,39579, 3239-35-8, 221-803-4,"(E)-6,10-Dimethylundeca-5,9-dien-2-yl acetate",,PERFUMING,CC(CC\C=C(C)\CCC=C(C)C)OC(C)=O,18.48234427
P-ANISYL PHENYLACETATE,ACETATE,Procure ACETATE,39080, 102-17-0, 203-010-5,4-Methoxybenzyl Phenylacetate,,PERFUMING,COc1ccc(COC(=O)Cc2ccccc2)cc1,8.826232891
GAMMA-METHYLCINNAMYL ACETATE,ACETATE,Procure ACETATE,40467, 20883-16-3, 244-098-5,3-Phenyl-2-butenyl Acetate,,PERFUMING,CC(=O)OCC=C(C)c1ccccc1,6.103325499
CITRONELLYL PHENYLACETATE,ACETATE,Procure ACETATE,39366, 139-70-8, 205-373-5,"3,7-Dimethyl-6-octenyl Phenylacetate",,PERFUMING,CC(CCOC(=O)Cc1ccccc1)CCC=C(C)C,10.2170133
3-HEXENYL ACETATE,ACETATE,Procure ACETATE,40194, 1708-82-3, 216-965-8,Hex-3-enyl acetate,,PERFUMING,CCC=CCCOC(C)=O,16.11356957
RHODINYL ACETATE,ACETATE,Procure ACETATE,40956, 141-11-7, 205-458-7,"3,7-Dimethyl-7-octen-1-ol acetate",,PERFUMING,CC(CCO)CCCC(C)=C.CC(O)=O,4.451183645
METHYL-OCTAHYDRO-DIMETHYLAZULENYLETHYL ACETATE,ACETATE,Procure ACETATE,40741, 134-28-1, 205-135-0,"1-Methyl-1-((3S,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl acetate",,PERFUMING,C[C@H]1CCC(CC2=C1CC[C@@H]2C)C(C)(C)OC(C)=O,23.51132127
DIMETHYLBUTYL ACETATE,ACETATE,Procure ACETATE,39600, 108-84-9, 203-621-7,"1,3-Dimethylbutyl acetate",,PERFUMING,CC(C)CC(C)OC(C)=O,20.91895309
GUAIACOL PHENYLACETATE,ACETATE,Procure ACETATE,40101, 4112-89-4, 223-898-8,2-Methoxyphenyl phenylacetate,,PERFUMING,COc1ccccc1OC(=O)Cc2ccccc2,12.76041734
CIS-3-HEPTENYL ACETATE,ACETATE,Procure ACETATE,40125, 1576-78-9, 216-412-0,(Z)-Hept-3-enyl acetate,,PERFUMING,CCC\C=C/CCOC(C)=O,8.465460861
9-DECENYL ACETATE,ACETATE,Procure ACETATE,39508, 50816-18-7, 256-784-1,9-Decenyl acetate,,PERFUMING,CC(=O)OCCCCCCCCC=C,21.68962893
M-CRESYL ACETATE,ACETATE,Procure ACETATE,39391, 122-46-3, 204-546-2,3-Methylphenyl acetate,,PERFUMING,CC(=O)Oc1cccc(C)c1,13.83354371
BENZYL ACETATE,ACETATE,Procure ACETATE,74484, 140-11-4, 205-399-7,Methyl Phenylacetate; Methyl alpha-Toluate ,,"MASKING, PERFUMING",COC(=O)Cc1ccccc1.COC(=O)Cc2ccccc2,1.428738941
1-METHYLDECYL ACETATE,ACETATE,Procure ACETATE,40661, 14936-67-5, 239-011-2,1-Methyldecyl acetate,,PERFUMING,CCCCCCCCCC(C)OC(C)=O,24.45077109
TETRAHYDROMUGYL ACETATE,ACETATE,Procure ACETATE,41041, 20780-48-7, 244-033-0,"3,7-Dimethyloctan-3-yl acetate",,PERFUMING,CCC(C)(CCCC(C)C)OC(C)=O,1.616813566
ISOPENTYL CYCLOHEXYL ACETATE,ACETATE,Procure ACETATE,87080, 67874-72-0 , 267-500-0,2-tert-Pentylcyclohexyl acetate; Amylcyclohexyl acetate ,,"MASKING, PERFUMING",CCCCCC1(CCCCC1)OC(C)=O.CCC(C)(C)C2CCCCC2OC(C)=O,17.14219434
METHYL CYCLOPENTYLIDENEACETATE,ACETATE,Procure ACETATE,40656, 40203-73-4, 254-837-3,Methyl cyclopentylideneacetate,,PERFUMING,COC(=O)C=C1CCCC1,15.03125345
ETHYL CYCLOHEXYLACETATE,ACETATE,Procure ACETATE,39843, 5452-75-5, 226-695-2,Ethyl cyclohexylacetate,,PERFUMING,CCOC(=O)CC1CCCCC1,24.173077
A-TERPINYL ACETATE,ACETATE,Procure ACETATE,41121, 80-26-2, 201-265-7,p-Menth-1-en-8-yl acetate; 1-Methyl-1-(4-methylcyclohex-3-enyl)ethyl ethanoate,,PERFUMING,CC(=O)OC(C)(C)C1CCC(=CC1)C.CC(=O)OC(C)(C)C2CCC(=CC2)C,19.43769978
"2,4-HEXADIENYL ACETATE",ACETATE,Procure ACETATE,40143, 1516-17-2, 216-163-8,"Hexa-2,4-dienyl acetate",,PERFUMING,CC=CC=CCOC(C)=O,6.15906328
ETHYL PHENYLACETATE,ACETATE,Procure ACETATE,33847, 101-97-3, 202-993-8,Ethyl phenylacetate,,PERFUMING,CCOC(=O)Cc1ccccc1,6.268424058
LAURYL ACETATE,ACETATE,Procure ACETATE,39775, 112-66-3, 203-995-1,Dodecyl acetate,,PERFUMING,CCCCCCCCCCCCOC(C)=O,23.73839884
ISOPROPYL-METHYLHEXENYL ACETATE,ACETATE,Procure ACETATE,39727, 74912-37-1, 278-019-0,2-Isopropyl-5-methylhex-4-enyl acetate,,PERFUMING,CC(C)C(COC(C)=O)CC=C(C)C,18.84336493
M-TOLYL PHENYLACETATE,ACETATE,Procure ACETATE,41141, 122-27-0, 204-531-0,m-Cresyl phenylacetate,,PERFUMING,Cc1cccc(OC(=O)Cc2ccccc2)c1,6.160748017
"3,5-DIMETHYLCYCLOHEXYLMETHYL ACETATE",ACETATE,Procure ACETATE,39620, 68213-86-5, 269-269-1,"3,5-Dimethylcyclohexylmethyl acetate",,PERFUMING,CC1CC(C)CC(COC(C)=O)C1,6.093570644
P-TOLYL PHENYLACETATE,ACETATE,Procure ACETATE,41142, 101-94-0, 202-990-1,p-Cresyl phenylacetate,,PERFUMING,Cc1ccc(OC(=O)Cc2ccccc2)cc1,9.768496202
P-TERT-BUTYLPHENYL ACETATE,ACETATE,Procure ACETATE,39161, 3056-64-2, 221-288-6,p-tert-Butylphenyl Acetate,,PERFUMING,CC(=O)Oc1ccc(cc1)C(C)(C)C,8.29082402
10-UNDECENYL ACETATE,ACETATE,Procure ACETATE,41275, 112-19-6, 203-944-3,Undec-10-enyl acetate,,PERFUMING,CC(=O)OCCCCCCCCCC=C,7.839892846
METHYLCYCLOHEXENYL-BUTENYL ACETATE,ACETATE,Procure ACETATE,40472, 6819-19-8, 229-894-2,3-(4-Methylcyclohex-3-enyl)but-3-enyl acetate,,PERFUMING,CC(=O)OCCC(=C)C1CCC(=CC1)C,6.528610552
ISOTRIDECYL ACETATE,ACETATE,Procure ACETATE,39749, 69103-23-7, 273-872-5,Isotridecyl Acetate,,PERFUMING,CC(C)CCCCCCCCCCOC(C)=O,4.876769584
TRIMETHYLDODECATRIEN-3-YL ACETATE,ACETATE,Procure ACETATE,41218, 2306-78-7, 218-978-4,"3,7,11-Trimethyldodeca-1,6,10-trien-3-yl acetate",,PERFUMING,CC(C)=CCCC(C)=CCCC(C)(OC(C)=O)C=C,9.859590235
ETHYL MYRISTATE,ACETATE,Procure ACETATE,76074, 124-06-1, 204-675-4,Ethyl myristate,,"EMOLLIENT, MASKING, PERFUMING, SKIN CONDITIONING",CCCCCCCCCCCCCC(=O)OCC,13.00022632
5-MELOZOL ACETATE,ACETATE,Procure ACETATE,40056, 64001-15-6, 264-598-7,"Octahydro-4,7-methano-1H-inden-5-yl acetate",,PERFUMING,CC(=O)OC1CC2CC1C3CCCC23,4.895917379
ETHYL LACTATE,ACETATE,Procure ACETATE,33827, 97-64-3, 202-598-0,"Propanoic acid, 2-hydroxy-, ethyl ester",,"PERFUMING, SOLVENT",CCOC(=O)C(C)O,19.64585064
ETHYL PHENOXYACETATE,ACETATE,Procure ACETATE,39920, 2555-49-9, 219-867-3,Ethyl phenoxyacetate,,PERFUMING,CCOC(=O)COc1ccccc1,6.410858533
"2,3,6-TRIMETHYLCYCLOHEXYLMETHYL ACETATE",ACETATE,Procure ACETATE,41205, 67801-27-8, 267-147-2,"2,3,6-Trimethylcyclohexylmethyl acetate",,PERFUMING,CC1CCC(C)C(COC(C)=O)C1C,18.873752
PHENETHYL PHENYLACETATE,ACETATE,Procure ACETATE,40609, 102-20-5, 203-013-1,Phenylethyl phenylacetate,,PERFUMING,O=C(Cc1ccccc1)OCCc2ccccc2,5.781787481
ISOPROPYL PHENYLACETATE,ACETATE,Procure ACETATE,39739, 4861-85-2, 225-468-5,Isopropyl phenylacetate,,PERFUMING,CC(C)OC(=O)Cc1ccccc1,10.32149074
DIMETHYL PHENYLETHYL CARBINYL ACETATE,ACETATE,Procure ACETATE,39662, 103-07-1, 203-077-0,"1,1-Dimethyl-3-phenylpropyl Acetate",,PERFUMING,CC(=O)OC(C)(C)CCc1ccccc1,23.17194235
CYCLOHEXYL CYCLOPENTENEACETATE,ACETATE,Procure ACETATE,39437, 65405-69-8, 265-740-0,Cyclohexyl cyclopent-2-ene-1-acetate,,PERFUMING,O=C(CC1CCC=C1)OC2CCCCC2,20.43160893
HEXYL ACETATE,ACETATE,Procure ACETATE,87440, 142-92-7, 205-572-7,Hexyl acetate,,"FLAVOURING, MASKING, PERFUMING",CCCCCCOC(C)=O,6.747519321
OCTYL ACETATE,ACETATE,Procure ACETATE,40531, 112-14-1, 203-939-6,Octyl acetate,,PERFUMING,CCCCCCCCOC(C)=O,5.106415276
CYCLODODECYL ACETATE,ACETATE,Procure ACETATE,39424, 6221-92-7, 228-297-4,Cyclododecyl Acetate,,PERFUMING,CC(=O)OC1CCCCCCCCCCC1,11.02689922
ETHYL PALMITATE,ACETATE,Procure ACETATE,76078, 628-97-7, 211-064-6,Ethyl palmitate,,"EMOLLIENT, PERFUMING",CCCCCCCCCCCCCCCC(=O)OCC,12.69347303
ETHYL ACETATE,ACETATE,Procure ACETATE,33805, 141-78-6, 205-500-4,Ethyl acetate,,"PERFUMING, SOLVENT",CCOC(C)=O,24.83522798
DIMETHYL-5-HEXENYL ACETATE,ACETATE,Procure ACETATE,39634, 38228-51-2, 253-840-7,"1,5-Dimethylhex-5-enyl acetate",,PERFUMING,CC(CCCC(C)=C)OC(C)=O,2.22897113
TRANS-3-HEPTENYL ACETATE,ACETATE,Procure ACETATE,40126, 1576-77-8, 216-411-5,(E)-Hept-3-enyl acetate,,PERFUMING,CCC/C=C/CCOC(C)=O,4.73819842
GAMMA-METHYLENEDIHYDROCINNAMYL ACETATE,ACETATE,Procure ACETATE,40675, 7306-12-9, 230-755-3,3-Phenylbut-3-enyl Acetate,,PERFUMING,CC(=O)OCCC(=C)c1ccccc1,19.43282607
PROPYL ACETATE,ACETATE,Procure ACETATE,37264, 109-60-4, 203-686-1,Propyl acetate,,"PERFUMING, SOLVENT",CCCOC(C)=O,24.27783124
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23 changes: 23 additions & 0 deletions examples/perfume e2e example/ingest_files/aldehyde.csv
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IDENTIFIER: name,CLASSIFICATION: Component Type,PREPARATION STEP NAME,PROPERTY: Ref No,PROPERTY: CAS No,PROPERTY: EC No,PROPERTY: Description,PROPERTY: Regulations,PROPERTY: Function,PROPERTY: SMILES,PROPERTY: PRICE,PROPERTY: Substantivity,PROPERTY: Odor Strength,PROPERTY: Clean,PROPERTY: Floral,PROPERTY: Rose,PROPERTY: Medicinal,PROPERTY: Phenolic,PROPERTY: Spicy,PROPERTY: Sweet,PROPERTY: Vanilla,PROPERTY: Herbal,PROPERTY: Citrus,PROPERTY: Metallic,PROPERTY: Musk,PROPERTY: Sulfurous,PROPERTY: Bitter
PHENYLACETALDEHYDE,ALDEHYDE,Procure ALDEHYDE,41466, 122-78-1, 204-574-5,Phenylacetaldehyde,,PERFUMING,O=CCc1ccccc1,46,400,3,,,,,,,1,,,,,,,
3-PHENYLBUTYRALDEHYDE,ALDEHYDE,Procure ALDEHYDE,40632, 16251-77-7, 240-362-9,3-Phenylbutyraldehyde,,PERFUMING,CC(CC=O)c1ccccc1,40,400,3,,,,,,,,,1,,,,,
CINNAMALDEHYDE DIMETHYL ACETAL,ALDEHYDE,Procure ALDEHYDE,39314, 4364-06-1, 224-454-6,"(3,3-Dimethoxypropenyl)benzene",,PERFUMING,COC(OC)C=Cc1ccccc1,39,96,2,,,,,,1,,,1,,,,,
AR-ISOPROPYLPHENYLACETALDEHYDE,ALDEHYDE,Procure ALDEHYDE,39190, 1335-44-0, 215-634-5,Ar-isopropylphenylacetaldehyde,,PERFUMING,CC(C)c1cccc(CC=O)c1,39,,1,,,,,,,,,1,,,,1,1
BENZALDEHYDE PROPYLENEGLYCOL ACETAL,ALDEHYDE,Procure ALDEHYDE,39216, 2568-25-4, 219-906-4,"4-Methyl-2-phenyl-1,3-dioxolane; Benzaldehyde Propylene Acetal",,PERFUMING,CC1COC(O1)c2ccccc2.CC3COC(O3)c4ccccc4,41,48,2,,,,,1,,1,,,,,,,
DECYLOXYACETALDEHYDE,ALDEHYDE,Procure ALDEHYDE,39514, 72894-07-6, 276-961-7,(Decyloxy)acetaldehyde,,PERFUMING,CCCCCCCCCCOCC=O,44,,1,,,1,,,,,,,,,,,
ISOPROPYLPHENYL-PROPIONALDEHYDE,ALDEHYDE,Procure ALDEHYDE,39741, 34291-99-1, 251-920-6,2-(4-Isopropylphenyl)propionaldehyde,,PERFUMING,CC(C)c1ccc(cc1)C(C)C=O,48,,2,,,,,,,,,1,,,,,
CINNAMALDEHYDE/METHYL ANTHRANILATE SCHIFF BASE,ALDEHYDE,Procure ALDEHYDE,41369, 94386-48-8, 305-271-1,Methyl 2-(cinnamylideneamino)benzoate,,PERFUMING,COC(=O)c1ccccc1N=CC=Cc2ccccc2,26,400,2,,,,,,,1,,,,,,,
"2,4-DIMETHYL-3-CYCLOHEXENE CARBOXALDEHYDE",ALDEHYDE,Procure ALDEHYDE,74061, 68039-49-6, 268-264-1,"2,4-dimethylcyclohex-3-ene-1-carbaldehyde",,"MASKING, PERFUMING, TONIC",CC1C=C(C)CCC1C=O,27,8,3,,1,,,,,,,1,,,,,
METHYLOCTYL ACETALDEHYDE,ALDEHYDE,Procure ALDEHYDE,40749, 19009-56-4, 242-745-6,2-Methyldecan-1-al,,PERFUMING,CCCCCCCCC(C)C=O,30,172,3,1,,,,,,,,,1,,,,
BENZALDEHYDE DIMETHYLACETAL,ALDEHYDE,Procure ALDEHYDE,39214, 1125-88-8, 214-413-0,"Dimethoxymethylbenzene; alpha,alpha-Dimethoxytoluene",,PERFUMING,COC(OC)c1ccccc1.COC(OC)c2ccccc2,38,1,2,,1,,,,,,,1,1,,,,
VERNALDEHYDE,ALDEHYDE,Procure ALDEHYDE,41291, 66327-54-6, 266-314-7,1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde,,PERFUMING,CC(C)CCCC1=CCC(C)(CC1)C=O,49,116,2,1,,,,,,,,1,1,1,,,
2-METHYLBUTYRALDEHYDE,ALDEHYDE,Procure ALDEHYDE,40461, 96-17-3, 202-485-6,2-Methylbutyraldehyde,,PERFUMING,CCC(C)C=O,46,1,3,,,,,,1,1,,,,,,,
3-P-CUMENYL PROPIONALDEHYDE,ALDEHYDE,Procure ALDEHYDE,39409, 7775-00-0, 231-885-3,3-(p-Cumenyl)propionaldehyde; 3-(p-Isopropylphenyl)propanal,,PERFUMING,CC(C)c1ccc(CCC=O)cc1.CC(C)c2ccc(CCC=O)cc2,27,72,2,1,,,,,,,,,1,,,,
"2,6,6-TRIMETHYLCYCLOHEXENE-1-CARBALDEHYDE",ALDEHYDE,Procure ALDEHYDE,41185, 432-25-7, 207-081-3,"2,6,6-Trimethylcyclohexene-1-carbaldehyde",,PERFUMING,CC1=C(C=O)C(C)(C)CCC1,44,85,3,1,,,,,,1,,1,,,,,
ACETALDEHYDE ETHYL CIS-3-HEXENYL ACETAL,ALDEHYDE,Procure ALDEHYDE,39001, 28069-74-1, 248-817-3,(Z)-1-(1-Ethoxyethoxy)hex-3-ene,,PERFUMING,CCOC(C)OCC\C=C/CC,41,4,3,1,,,,,,,,1,1,,,,
2-METHYL-3-P-CRESYL-PROPIONALDEHYDE,ALDEHYDE,Procure ALDEHYDE,40469, 41496-43-9, 255-410-4,2-Methyl-3-(p-tolyl)propionaldehyde,,PERFUMING,CC(Cc1ccc(C)cc1)C=O,25,168,2,1,,,,,,1,,,1,,,,
BENZALDEHYDE,ALDEHYDE,Procure ALDEHYDE,74599, 100-52-7, 202-860-4,Benzaldehyde,,"DENATURANT, FLAVOURING, MASKING, PERFUMING",O=Cc1ccccc1,49,4,3,,,,,,,1,,,,,,,1
O-METHOXYCINNAMALDEHYDE,ALDEHYDE,Procure ALDEHYDE,40410, 1504-74-1, 216-131-3,2-Methoxycinnamaldehyde; 3-(2-Methoxyphenyl)-2-propenal,,PERFUMING,COc1ccccc1C=CC=O.COc2ccccc2C=CC=O,41,48,2,,,,,,1,1,,1,,,,,
METHYLCINNAMIC ALDEHYDE,ALDEHYDE,Procure ALDEHYDE,40465, 101-39-3, 202-938-8,alpha-Methylcinnamaldehyde; 2-Methyl-3-phenyl-2-propenal; 3-Phenyl-2-methylacrolein,,PERFUMING,CC(C=O)=Cc1ccccc1.CC(C=O)=Cc2ccccc2.CC(C=O)=Cc3ccccc3,36,32,3,1,,1,,,,,,,,,,,
4-ETHYLBENZALDEHYDE,ALDEHYDE,Procure ALDEHYDE,39829, 4748-78-1, 225-268-8,4-Ethylbenzaldehyde,,PERFUMING,CCc1ccc(C=O)cc1,46,,2,,,,,,,1,,,,,,,1
M-TOLUALDEHYDE,ALDEHYDE,Procure ALDEHYDE,41138, 620-23-5, 210-632-0,3-Methyl-benzaldehyde,,PERFUMING,Cc1cccc(C=O)c1,37,2,2,1,,,,,,1,,,,,,,
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