File size: 2,303 Bytes
e332f4f | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 | SubstanceA_name,SubstanceA_SMILE,SubstanceA_ratio,SubstanceB_name,SubstanceB_SMILE,SubstanceB_ratio,SubstanceC_name,SubstanceC_SMILE,SubstanceC_ratio,SubstanceD_name,SubstanceD_SMILE,SubstanceD_ratio,Target_alpha_tg,Target_beta_impactstrength,Target_gamma_elongation
127e,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,0.6,"Kaisai 1,5-Pentanediamine",NCCCCCN,0.3,o-CGE,CC1=CC=CC=C1OCC2OC2,0,Benzyl alcohol,OCC1=CC=CC=C1,0.01,80,110,1.4
127e,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,0.7,"Kaisai 1,5-Pentanediamine",NCCCCCN,0.2,AGE,CCCCCCCCCCCCOCC1OC1,0.01,Ethylene glycol solvent,OCCO,0.01,90,100,1.1
127e,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,0.8,"Kaisai 1,5-Pentanediamine",NCCCCCN,0.1,o-CGE,CC1=CC=CC=C1OCC2OC2,0.01,Benzyl alcohol,OCC1=CC=CC=C1,0.01,60,120,2
127e,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,0.7,"Kaisai 1,5-Pentanediamine",NCCCCCN,0.15,o-CGE,CC1=CC=CC=C1OCC2OC2,0.01,Benzyl alcohol,OCC1=CC=CC=C1,0.01,20,300,3
127e,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,0.6,"Kaisai 1,5-Pentanediamine",NCCCCCN,0.3,AGE,CCCCCCCCCCCCOCC1OC1,0.01,Benzyl alcohol,OCC1=CC=CC=C1,0.01,86,110,1.4
127e,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,0.7,"Kaisai 1,5-Pentanediamine",NCCCCCN,0.2,AGE,CCCCCCCCCCCCOCC1OC1,0.02,Benzyl alcohol,OCC1=CC=CC=C1,0.01,100,100,1.1
127e,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,0.8,"Kaisai 1,5-Pentanediamine",NCCCCCN,0.1,AGE,CCCCCCCCCCCCOCC1OC1,0.005,Ethylene glycol solvent,OCCO,0.01,74,120,2
127e,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,0.7,IPDA,NC1CC(C)(CN)CC(C)(C)C1,0.2,AGE,CCCCCCCCCCCCOCC1OC1,0.01,Ethylene glycol solvent,OCCO,0.01,60,86,2.1
127e,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,0.6,IPDA,NC1CC(C)(CN)CC(C)(C)C1,0.25,o-CGE,CC1=CC=CC=C1OCC2OC2,0.005,Ethylene glycol solvent,OCCO,0.01,74,90,4
127e,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,0.7,IPDA,NC1CC(C)(CN)CC(C)(C)C1,0.1,AGE,CCCCCCCCCCCCOCC1OC1,0.01,Ethylene glycol solvent,OCCO,0.01,55,115,3.1
127e,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,0.8,IPDA,NC1CC(C)(CN)CC(C)(C)C1,0.15,o-CGE,CC1=CC=CC=C1OCC2OC2,0.02,Ethylene glycol solvent,OCCO,0.01,66.8,121,2.2
127e,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4,0.7,IPDA,NC1CC(C)(CN)CC(C)(C)C1,0.25,AGE,CCCCCCCCCCCCOCC1OC1,0.04,Ethylene glycol solvent,OCCO,0.01,87.2,100,2.2
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