eln_id plate_no ipc_no well temperature_degC time_h atmosphere scale_mol concentration_moll mixing startingmat_1_cas startingmat_1_smiles startingmat_1_eq startingmat_2_cas startingmat_2_smiles startingmat_2_eq reagent_1_cas reagent_1_smiles reagent_1_eq solvent_1_cas solvent_1_smiles solvent_1_fraction solvent_2_cas solvent_2_smiles solvent_2_fraction eln044720-049 1 1 b2 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 75-98-9 O=C(O)C(C)(C)C 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 d4 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 5337-03-1 O=C(O)C1CCOCC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 d6 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 873397-34-3 O=C(O)C1COCCC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 a4 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 24537-50-6 O=C1NCCC(C(=O)O)C1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 d3 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 30379-55-6 O=C(O)COCC=1C=CC=CC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 c5 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 84358-12-3 O=C(OC(C)(C)C)N1CCCC(C(=O)O)C1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 c3 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 53293-00-8 O=C(O)CCCC#C 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 c2 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 16874-33-2 O=C(O)C1OCCC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 b5 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 122665-97-8 O=C(O)C1CCC(F)(F)CC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 a6 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 4771-80-6 O=C(O)C1CC=CCC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 d2 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 51673-83-7 O=C(O)C1OCCCC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 b6 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 79-09-4 O=C(O)CC 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 a3 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 114012-41-8 O=C(O)C1COC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 c4 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 84358-13-4 O=C(OC(C)(C)C)N1CCC(C(=O)O)CC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 a5 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 98-89-5 O=C(O)C1CCCCC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 c6 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 59378-75-5 O=C(OC(C)(C)C)N1CCC(C(=O)O)C1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 a2 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 3721-95-7 O=C(O)C1CCC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 b1 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 3400-45-1 O=C(O)C1CCCC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 a1 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 89364-31-8 O=C(O)C1COCC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 c1 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 93-40-3 O=C(O)CC1=CC=C(OC)C(OC)=C1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 d1 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 142253-55-2 O=C(OC(C)(C)C)N1CC(C(=O)O)C1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 b3 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 224584-18-3 O=C(O)C12CC(C1)(C2)C(F)(F)F 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355 eln044720-049 1 1 d5 40 18 n2 0.000000500 0.016 st_400 685112-46-3 O=C(NC1=CC=C(Cl)C=C1)C=2C(=NC=CC2C(F)(F)F)OC=3C=CC=CC3 1 59433-50-0 O=C(OC(C)(C)C)N1CCCC1C(=O)O 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 7732-18-5 O 0.03225806452 67-68-5 O=S(C)C 0.9677419355