Original order,Iteration number,Compound uniqueID,Old product name,Smiles final product,Series rationale,Series name,LCMS_name,Mass,Yield,Synthesis outcome,QC comment,Additional comment,Data collection outcome,Crystal names - datasets collected,Resolution - datasets collected,Outcome Pandda analysis,list of xtsal structure bound,PDB entry,Bound ligand type,Smiles of bound ligand,Confidence in dataset,Comments from manual analysis,Reactant 1 name,Reactant 1 smiles,Reactant 2 name,Reactant 2 smiles,Reactant 3 name,Reactant 3 smiles,ka (M-1s-1),error (%),kd (s-1),error (%),Kd (M),Kd (uM),Rmax (pg/mm²),Sqrt(Chi2),Classification,Comments,Merge,Inspiration fragments,LCMS outcome,Crystal score,Biophysics score,Modelling score,Result expected
1,1,it1.0_AM-01_furan-piperazine-01,PHIP-Am1-01,CCOC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['success', 'success']","['PHIPA-x10022', 'PHIPA-x10142']","['1.24', '1.191']",no,,,,,,,AM-01,C1CN(CCN1)C(=O)OCC,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
2,1,it1.0_AM-02_furan-piperazine-01,PHIP-Am1-02,O=C(Nc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (mix),,"['success', 'Data processing fail']","['PHIPA-x10023', 'PHIPA-x10143']","['1.44', '']",no,,,,,,,AM-02,C1(=CC=CC=C1)N,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
3,1,it1.0_AM-03_furan-piperazine-01,PHIP-Am1-03,O=C(NC1CCCCC1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['success', 'Data processing fail']","['PHIPA-x10024', 'PHIPA-x10144']","['1.24', '']",no,,,,,,,AM-03,C1(CCCCC1)N,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
4,1,it1.0_AM-04_furan-piperazine-01,PHIP-Am1-04,O=C(c1ccco1)N1CCN(C(=O)N2CCN(CCO)CC2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['success', 'success']","['PHIPA-x10025', 'PHIPA-x10145']","['1.191', '1.201']",no,,,,,,,AM-04,OCCN1CCNCC1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
5,1,it1.0_AM-05_furan-piperazine-01,PHIP-Am1-05,CN1CCC(NC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1,SAR around urea,Iteration 1.0,,N/D,,fail,n,,"['Data processing fail', 'Data processing fail']","['PHIPA-x10026', 'PHIPA-x10146']","['', '']",no,,,,,,,AM-05,NC1CCN(C)CC1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,fail,,1-binding,,
6,1,it1.0_AM-06_furan-piperazine-01,PHIP-Am1-06,O=C(NC1CCCC1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['success', 'success']","['PHIPA-x10027', 'PHIPA-x10147']","['1.203', '1.206']",no,,,,,,,AM-06,NC1CCCC1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,1974,290,1.7,110,,850,0.9,0.63,2-Kd low confidence,,No,X20706,success,,2-Kd low confidence,,
7,1,it1.0_AM-07_furan-piperazine-01,PHIP-Am1-07,O=C(c1ccco1)N1CCN(C(=O)N2CCN(c3ccccc3)CC2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (weak so not sure of purity),,"['success', 'Data processing fail']","['PHIPA-x10028', 'PHIPA-x10148']","['1.189', '']",no,,,,,,,AM-07,N1(C2=CC=CC=C2)CCNCC1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
8,1,it1.0_AM-08_furan-piperazine-01,PHIP-Am1-08,O=C(c1ccco1)N1CCN(C(=O)N2CCSCC2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y ,,"['Failed - low resolution', 'Data processing fail']","['PHIPA-x10029', 'PHIPA-x10149']","['3.76', '']",no,,,,,,,AM-08,C1CNCCS1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,1954,1000,1.98,470,,1013,0,1.65,2-Kd low confidence,,No,X20706,success,,2-Kd low confidence,,
9,1,it1.0_AM-09_furan-piperazine-01,PHIP-Am1-09,CN1CCN(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (trace) ,,"['success', 'Data processing fail']","['PHIPA-x10030', 'PHIPA-x10150']","['2.79', '']",no,,,,,,,AM-09,CN1CCNCC1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,success,,0-no binding,,
10,1,it1.0_AM-10_furan-piperazine-01,PHIP-Am1-10,COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (trace) ,,"['success', 'Failed - low resolution', 'success', 'Data processing fail', 'success', 'success']","['PHIPA-x10031', 'PHIPA-x10151', 'PHIPA-x10260', 'PHIPA-x10269', 'PHIPA-x12257', 'PHIPA-x12268']","['1.185', '3.70', '1.99', '', '1.09', '1.65']",yes,"['PHIPA-x10031', 'PHIPA-x10260', 'PHIPA-x12257', 'PHIPA-x12268']","['under 5S90', 'under 5S90', 'under 5S90', 'under 5S90']","['product', 'product', 'product', 'product']","['COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1']","['clear', 'weak', 'clear', 'clear']","['clear', 'too weak to merge', 'why was it resoaked? - clear', 'why was it resoaked? - clear']",AM-10,COCCN,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
11,1,it1.0_AM-11_furan-piperazine-01,PHIP-Am1-11,C#CCNC(=O)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['Data processing fail', 'success']","['PHIPA-x10032', 'PHIPA-x10152']","['', '1.91']",no,,,,,,,AM-11,NCC#C,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
12,1,it1.0_AM-12_furan-piperazine-01,PHIP-Am1-12,O=C(Nc1ccon1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (mix),,"['Data processing fail', 'success']","['PHIPA-x10033', 'PHIPA-x10153']","['', '1.211']",no,,,,,,,AM-12,NC1=NOC=C1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,100,53.53,0,6162248786,0,0,0,0.21,2-Kd low confidence,,No,X20706,success,,2-Kd low confidence,,
13,1,it1.0_AM-13_furan-piperazine-01,PHIP-Am1-13,O=C(NCCN1CCOCC1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (low),,"['success', 'success']","['PHIPA-x10034', 'PHIPA-x10154']","['1.22', '1.266']",no,,,,,,,AM-13,NCCN1CCOCC1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,success,,0-no binding,,
14,1,it1.0_AM-14_furan-piperazine-01,PHIP-Am1-14,O=C(NCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['success', 'success']","['PHIPA-x10035', 'PHIPA-x10155']","['1.37', '1.21']",no,,,,,,,AM-14,NCC1=CC=CC=C1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
15,1,it1.0_AM-15_furan-piperazine-01,PHIP-Am1-15,CCCCNC(=O)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y,,"['success', 'success', 'success', 'success']","['PHIPA-x10036', 'PHIPA-x10156', 'PHIPA-x12249', 'PHIPA-x12260']","['1.222', '1.33', '1.82', '1.23']",yes,"['PHIPA-x10036', 'PHIPA-x12260', 'PHIPA-x12260']","['5S8R', 'under 5S8R', 'under 5S8R']","['product', 'product', 'product']","['CCCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'CCCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'CCCCNC(=O)N1CCN(C(=O)c2ccco2)CC1']","['weak', 'to check', 'ok']","['weak', 'Needs checking but probably weak', 'still weak but ok']",AM-15,NCCCC,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,5S8R,1-binding,,
16,1,it1.0_AM-16_furan-piperazine-01,PHIP-Am1-16,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,fail,n,,"['Data processing fail', 'success']","['PHIPA-x10037', 'PHIPA-x10157']","['', '1.204']",no,,,,,,,AM-16,NCC1=CC=CN=C1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,fail,,0-no binding,,
17,1,it1.0_AM-17_furan-piperazine-01,PHIP-Am1-17,O=C(Nc1ccc2ncsc2c1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,no ms of major peak,,"['success', 'success']","['PHIPA-x10038', 'PHIPA-x10158']","['1.52', '1.243']",no,,,,,,,AM-17,NC1=CC=C2C(SC=N2)=C1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
18,1,it1.0_AM-18_furan-piperazine-01,PHIP-Am1-18,COc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c(F)c1,SAR around urea,Iteration 1.0,,N/D,,success,y (mix),,"['success', 'success', 'success', 'success', 'success', 'success']","['PHIPA-x10039', 'PHIPA-x10159', 'PHIPA-x10261', 'PHIPA-x10270', 'PHIPA-x12250', 'PHIPA-x12261']","['1.236', '1.26', '1.197', '1.58', '1.1', '1.34']",yes,['PHIPA-x10039'],['5S8S'],['product'],['COc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c(F)c1'],['incomplete'],['missing density of aromatic'],AM-18,NC1=CC=C(OC)C=C1F,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,2277,250,0.05,320,,25,0.66,0.802,2-Kd low confidence,,No,X20706,success,5S8S,2-Kd low confidence,,
19,1,it1.0_AM-19_furan-piperazine-01,PHIP-Am1-19,CC(C)CCNC(=O)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['success', 'success']","['PHIPA-x10040', 'PHIPA-x10160']","['1.49', '1.42']",no,,,,,,,AM-19,CC(C)CCN,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
20,1,it1.0_AM-20_furan-piperazine-01,PHIP-Am1-20,O=C(Nc1nc2ccccc2o1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['success', 'success', 'success', 'success']","['PHIPA-x10041', 'PHIPA-x10161', 'PHIPA-x12251', 'PHIPA-x12262']","['1.22', '1.226', '1.3', '1.29']",yes,"['PHIPA-x10041', 'PHIPA-x12262', 'PHIPA-x12262']","['5S8T', 'under 5S8T', 'under 5S8T']","['product', 'product', 'product']","['O=C(Nc1nc2ccccc2o1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(Nc1nc2ccccc2o1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(Nc1nc2ccccc2o1)N1CCN(C(=O)c2ccco2)CC1']","['weak', 'to check', 'weak']","['too weak to merge', 'Needs checking but probably weak', 'siilar lack of density']",AM-20,NC1=NC2=CC=CC=C2O1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,1593,450,0.64,260,,4060.31,0.14,0.2,2-Kd low confidence,no - this is the activity controle!,No,X20706,success,5S8T,2-Kd low confidence,,
21,1,it1.0_AM-21_furan-piperazine-01,PHIP-Am1-21,CCCCCNC(=O)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['Data processing fail', 'Failed - low resolution']","['PHIPA-x10042', 'PHIPA-x10162']","['', '4.60']",no,,,,,,,AM-21,NCCCCC,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
22,1,it1.0_AM-22_furan-piperazine-01,PHIP-Am1-22,CC(C)CC(CO)NC(=O)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,fail,n,,"['success', 'success']","['PHIPA-x10043', 'PHIPA-x10163']","['1.182', '2.66']",no,,,,,,,AM-22,NC(CO)CC(C)C,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,fail,,0-no binding,,
23,1,it1.0_AM-23_furan-piperazine-01,PHIP-Am1-23,CN(C)CCN(C)C(=O)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,fail,n,,"['success', 'success']","['PHIPA-x10044', 'PHIPA-x10164']","['2.60', '1.15']",no,,,,,,,AM-23,CN(C)CCNC,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,fail,,1-binding,,
24,1,it1.0_AM-24_furan-piperazine-01,PHIP-Am1-24,CCCNC(=O)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (mix),,"['success', 'success']","['PHIPA-x10045', 'PHIPA-x10165']","['2.01', '1.200']",no,,,,,,,AM-24,CCCN,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
25,1,it1.0_AM-25_furan-piperazine-01,PHIP-Am1-25,COc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['success', 'success', 'Data processing fail', 'success', 'success', 'success']","['PHIPA-x10046', 'PHIPA-x10166', 'PHIPA-x10262', 'PHIPA-x10271', 'PHIPA-x12252', 'PHIPA-x12263']","['1.33', '1.75', '', '1.31', '1.32', '1.41']",yes,"['PHIPA-x10046', 'PHIPA-x10271', 'PHIPA-x12252']","['5S8U', 'under 5S8U', 'under 5S8U']","['product', 'product', 'product']","['COc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1', 'COc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1', 'COc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1']","['incomplete', 'weak', 'incomplete']","['lack of density', 'very weak density missing', 'same - lack of density']",AM-25,COC1=CC=C(N)C=C1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,5S8U,1-binding,,
26,1,it1.0_AM-26_furan-piperazine-01,PHIP-Am1-26,O=C(c1ccco1)N1CCN(C(=O)N2CCOCC2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y,,"['success', 'success']","['PHIPA-x10047', 'PHIPA-x10167']","['1.46', '1.27']",no,,,,,,,AM-26,Cl[H].C1OCCNC1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,1959,160,1.78,51,,906,1.36,0.64,2-Kd low confidence,,No,X20706,success,,2-Kd low confidence,,
27,1,it1.0_AM-27_furan-piperazine-01,PHIP-Am1-27,O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y,,"['success', 'success', 'success', 'success', 'success', 'success']","['PHIPA-x10048', 'PHIPA-x10168', 'PHIPA-x10263', 'PHIPA-x10272', 'PHIPA-x12258', 'PHIPA-x12269']","['1.201', '1.30', '1.32', '2.56', '1.25', '1.39']",yes,"['PHIPA-x10048', 'PHIPA-x10263', 'PHIPA-x10272', 'PHIPA-x12258']","['under 5S8Y', 'under 5S8Y', 'under 5S8Y', 'under 5S8Y']","['product', 'product', 'product', 'product']","['O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1']","['clear', 'clear', 'weak', 'clear']","['clear', 'clear', 'very weak - hardly any density', 'why was it resoaked? - clear']",AM-27,NCC1CC1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,1702,480,0.007,340,,4.3,0.45,1.27,2-Kd low confidence,,No,X20706,success,,2-Kd low confidence,,
28,1,it1.0_AM-28_furan-piperazine-01,PHIP-Am1-28,NCCNC(=O)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (mix),,"['success', 'success']","['PHIPA-x10049', 'PHIPA-x10169']","['2.21', '1.37']",no,,,,,,,AM-28,NCCN,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
29,1,it1.0_AM-29_furan-piperazine-01,PHIP-Am1-29,CCN(CC)C(=O)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['success', 'success']","['PHIPA-x10050', 'PHIPA-x10170']","['1.36', '1.44']",no,,,,,,,AM-29,CCNCC,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
30,1,it1.0_AM-30_furan-piperazine-01,PHIP-Am1-30,O=C(NC1CC1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['success', 'Data processing fail']","['PHIPA-x10051', 'PHIPA-x10171']","['1.66', '']",no,,,,,,,AM-30,NC1CC1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
31,1,it1.0_AM-31_furan-piperazine-01,PHIP-Am1-31,CC(C)NC(=O)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['success', 'success', 'success', 'success', 'success', 'Data processing fail']","['PHIPA-x10052', 'PHIPA-x10172', 'PHIPA-x10264', 'PHIPA-x10273', 'PHIPA-x12259', 'PHIPA-x12270']","['1.183', '1.200', '1.29', '1.201', '1.59', '']",yes,"['PHIPA-x10052', 'PHIPA-x10273']","['5S8V', 'under 5S8V']","['product', 'product']","['CC(C)NC(=O)N1CCN(C(=O)c2ccco2)CC1', 'CC(C)NC(=O)N1CCN(C(=O)c2ccco2)CC1']","['clear', 'weak']","['clear', 'very weak - hardly seeing anything']",AM-31,NC(C)C,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,5S8V,1-binding,,
32,1,it1.0_AM-32_furan-piperazine-01,PHIP-Am1-32,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (mass detected in int peak),,"['success', 'success', 'success', 'success', 'success', 'success']","['PHIPA-x10053', 'PHIPA-x10173', 'PHIPA-x10265', 'PHIPA-x10274', 'PHIPA-x12253', 'PHIPA-x12264']","['1.29', '1.98', '1.34', '1.27', '1.92', '1.62']",yes,"['PHIPA-x10053', 'PHIPA-x10274']","['under 5S91', 'under 5S91']","['product', 'product']","['O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1']","['weak', 'weak']","['weak', 'not as clear']",AM-32,NCC(F)(F)F,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
33,1,it1.0_AM-33_furan-piperazine-01,PHIP-Am1-33,O=C(Nc1ncco1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,fail,n,,"['Data processing fail', 'success']","['PHIPA-x10054', 'PHIPA-x10174']","['', '1.181']",no,,,,,,,AM-33,NC1=NC=CO1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,fail,,1-binding,,
34,1,it1.0_AM-34_furan-piperazine-01,PHIP-Am1-34,O=C(Nc1cccnc1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,fail,n,,"['Data processing fail', 'Failed - low resolution']","['PHIPA-x10055', 'PHIPA-x10175']","['', '4.04']",no,,,,,,,AM-34,NC1=CC=CN=C1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,3129,160,0.004,340,,14,0.47,0.848,2-Kd low confidence,,No,X20706,fail,,2-Kd low confidence,,
35,1,it1.0_AM-35_furan-piperazine-01,PHIP-Am1-35,O=C(Nc1ccccc1F)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (trace),,"['Data processing fail', 'success']","['PHIPA-x10056', 'PHIPA-x10176']","['', '2.16']",no,,,,,,,AM-35,NC1=CC=CC=C1F,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,725,550,0.15,560,,202,0.32,1.118,2-Kd low confidence,,No,X20706,success,,2-Kd low confidence,,
36,1,it1.0_AM-36_furan-piperazine-01,PHIP-Am1-36,O=C(Nc1ccccc1Cl)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (mix),,"['success', 'success']","['PHIPA-x10057', 'PHIPA-x10177']","['1.47', '1.27']",no,,,,,,,AM-36,NC1=CC=CC=C1Cl,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,1320,920,0.6,570,,473,0,0.543,2-Kd low confidence,,No,X20706,success,,2-Kd low confidence,,
37,1,it1.0_AM-37_furan-piperazine-01,PHIP-Am1-37,O=C(Nc1ccccn1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y  (low),,"['success', 'Data processing fail']","['PHIPA-x10058', 'PHIPA-x10178']","['1.37', '']",no,,,,,,,AM-37,NC1=CC=CC=N1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,success,,0-no binding,,
38,1,it1.0_AM-38_furan-piperazine-01,PHIP-Am1-38,CS(=O)(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['success', 'success']","['PHIPA-x10059', 'PHIPA-x10179']","['1.43', '1.186']",no,,,,,,,AM-38,O=S(N1CCNCC1)(C)=O,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,1954,930,1.9,410,,973,0,1.69,2-Kd low confidence,,No,X20706,success,,2-Kd low confidence,,
39,1,it1.0_AM-39_furan-piperazine-01,PHIP-Am1-39,CSc1nsc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)n1,SAR around urea,Iteration 1.0,,N/D,,success,y,,"['success', 'Data processing fail']","['PHIPA-x10060', 'PHIPA-x10180']","['1.83', '']",no,,,,,,,AM-39,CSC1=NSC(N)=N1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,success,,0-no binding,,
40,1,it1.0_AM-40_furan-piperazine-01,PHIP-Am1-40,CC(C)C(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y,,"['success', 'success']","['PHIPA-x10061', 'PHIPA-x10181']","['1.50', '1.36']",no,,,,,,,AM-40,CC(C)C(=O)N1CCNCC1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,success,,0-no binding,,
41,1,it1.0_AM-41_furan-piperazine-01,PHIP-Am1-41,O=C(Nc1ncncc1Br)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,fail,n,,"['success', 'success', 'Data processing fail', 'success']","['PHIPA-x10062', 'PHIPA-x10182', 'PHIPA-x10266', 'PHIPA-x10275']","['1.33', '1.209', '', '2.35']",no,,,,,,,AM-41,C1=C(C(=NC=N1)N)Br,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,2032,290,0.15,240,,74,0.95,1.16,2-Kd low confidence,,No,X20706,fail,,2-Kd low confidence,,
42,1,it1.0_AM-42_furan-piperazine-01,PHIP-Am1-42,O=C(Nc1nc2ccccc2[nH]1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (low),,"['success', 'success']","['PHIPA-x10063', 'PHIPA-x10183']","['1.96', '1.57']",no,,,,,,,AM-42,C1=CC=C2C(=C1)NC(=N2)N,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
43,1,it1.0_AM-43_furan-piperazine-01,PHIP-Am1-43,Nc1ccc(CC(=O)NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,SAR around urea,Iteration 1.0,,N/D,,success,y (mix),,"['success', 'success']","['PHIPA-x10064', 'PHIPA-x10184']","['1.46', '1.20']",no,,,,,,,AM-43,C1=CC(=CC=C1CC(=O)N)N,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
44,1,it1.0_AM-44_furan-piperazine-01,PHIP-Am1-44,O=C(Nc1ncccn1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,fail,n,,"['Data processing fail', 'success']","['PHIPA-x10065', 'PHIPA-x10185']","['', '1.199']",no,,,,,,,AM-44,C1=CN=C(N=C1)N,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,2.16,160,0.1,170,,48,0.45,0.503,2-Kd low confidence,,No,X20706,fail,,2-Kd low confidence,,
45,1,it1.0_AM-45_furan-piperazine-01,PHIP-Am1-45,N#Cc1cccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c1,SAR around urea,Iteration 1.0,,N/D,,success,y (mix),,"['success', 'success']","['PHIPA-x10066', 'PHIPA-x10186']","['1.49', '1.43']",no,,,,,,,AM-45,C1=CC(=CC(=C1)N)C#N,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,success,,0-no binding,,
46,1,it1.0_AM-46_furan-piperazine-01,PHIP-Am1-46,O=C(c1ccco1)N1CCN(C(=O)N2CCNCC2=O)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (mix),,"['Data processing fail', 'success']","['PHIPA-x10067', 'PHIPA-x10187']","['', '1.38']",no,,,,,,,AM-46,C1CNC(=O)CN1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,success,,0-no binding,,
47,1,it1.0_AM-47_furan-piperazine-01,PHIP-Am1-47,O=C(c1ccco1)N1CCN(C(=O)N2CCN(Cc3ccco3)CC2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y,,"['Data processing fail', 'success']","['PHIPA-x10068', 'PHIPA-x10188']","['', '1.49']",no,,,,,,,AM-47,C1CN(CCN1)CC2=CC=CO2,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,success,,0-no binding,,
48,1,it1.0_AM-48_furan-piperazine-01,PHIP-Am1-48,Cc1cc(C)c(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1,SAR around urea,Iteration 1.0,,N/D,,success,y (mix),,"['success', 'success']","['PHIPA-x10069', 'PHIPA-x10189']","['2.06', '0.66']",no,,,,,,,AM-48,CC1=CC(=C(C(=C1)C)N)C,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,success,,0-no binding,,
49,1,it1.0_AM-49_furan-piperazine-01,PHIP-Am1-49,COc1ccc(C)cc1NC(=O)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (mix),,"['success', 'success']","['PHIPA-x10070', 'PHIPA-x10190']","['1.42', '1.195']",no,,,,,,,AM-49,CC1=CC(=C(C=C1)OC)N,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,success,,0-no binding,,
50,1,it1.0_AM-50_furan-piperazine-01,PHIP-Am1-50,O=C(Nc1ccc(F)cc1F)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (mix),,"['success', 'success', 'Data processing fail', 'success', 'success', 'success']","['PHIPA-x10071', 'PHIPA-x10191', 'Fail Mount', 'PHIPA-x10276', 'PHIPA-x12254', 'PHIPA-x12265']","['1.20', '2.14', '', '1.177', '1.56', '1.28']",yes,['PHIPA-x10071'],['5S8W'],['product'],['O=C(Nc1ccc(F)cc1F)N1CCN(C(=O)c2ccco2)CC1'],['incomplete'],['SM bound? not merged - missing urea side'],AM-50,C1=CC(=C(C=C1F)F)N,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,5S8W,1-binding,,
51,1,it1.0_AM-51_furan-piperazine-01,PHIP-Am1-51,O=C(Nc1ccccc1OC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,fail,n,,"['success', 'success']","['PHIPA-x10072', 'PHIPA-x10192']","['1.70', '3.31']",no,,,,,,,AM-51,C1=CC=C(C(=C1)N)OC(F)(F)F,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,1589,130,0.03,260,,19,0.91,0.73,2-Kd low confidence,,No,X20706,fail,,2-Kd low confidence,,
52,1,it1.0_AM-52_furan-piperazine-01,PHIP-Am1-52,O=C(Nc1cccc(O)c1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (mix),,"['success', 'success']","['PHIPA-x10073', 'PHIPA-x10193']","['1.68', '2.59']",no,,,,,,,AM-52,C1=CC(=CC(=C1)O)N,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
53,1,it1.0_AM-53_furan-piperazine-01,PHIP-Am1-53,CC(C)(C)OC(=O)Nc1cccc(CNC(=O)N2CCN(C(=O)c3ccco3)CC2)c1,SAR around urea,Iteration 1.0,,N/D,,success,y (major - Boc fell off),,"['success', 'Failed - low resolution', 'Data processing fail', 'Data processing fail', 'success', 'success']","['PHIPA-x10074', 'PHIPA-x10194', 'PHIPA-x10267', 'Fail Mount', 'PHIPA-x12255', 'PHIPA-x12266']","['1.45', '4.02', '', '', '1.819', '1.34']",yes,['PHIPA-x10074'],[''],['product'],['CC(C)(C)OC(=O)Nc1cccc(CNC(=O)N2CCN(C(=O)c3ccco3)CC2)c1'],['weak'],['very weak'],AM-53,CC(C)(C)OC(=O)NC1=CC=CC(=C1)CN,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,success,not deposited - weak,0-no binding,,
54,1,it1.0_AM-54_furan-piperazine-01,PHIP-Am1-54,O=C(NCc1cccs1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['success', 'success', 'success', 'success', 'success', 'success']","['PHIPA-x10075', 'PHIPA-x10195', 'PHIPA-x10268', 'PHIPA-x10277', 'PHIPA-x12256', 'PHIPA-x12267']","['1.47', '1.182', '1.85', '2.09', '1.36', '1.31']",yes,"['PHIPA-x10075', 'PHIPA-x12256', 'PHIPA-x12267']","['under 5S8Z', 'under 5S8Z', 'under 5S8Z']","['product', 'product', 'product']","['O=C(NCc1cccs1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCc1cccs1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCc1cccs1)N1CCN(C(=O)c2ccco2)CC1']","['incomplete', 'to check', 'incomplete']","['very weak - density missing', 'Needs checking but probably weak', 'still not full but much better - what was the QC like?']",AM-54,C1=CSC(=C1)CN,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,1976,930,1.96,460,,995,0,2.004,2-Kd low confidence,,No,X20706,success,,2-Kd low confidence,,
55,1,it1.0_AM-55_furan-piperazine-01,PHIP-Am1-55,CN(C(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCS(=O)(=O)C1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['Failed - low resolution', 'success']","['PHIPA-x10076', 'PHIPA-x10196']","['3.80', '1.81']",no,,,,,,,AM-55,CNC1CCS(=O)(=O)C1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
56,1,it1.0_AM-56_furan-piperazine-01,PHIP-Am1-56,O=C(NCc1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,success,y (major),,"['Data processing fail', 'success']","['PHIPA-x10077', 'PHIPA-x10197']","['', '3.24']",no,,,,,,,AM-56,NCC1=CC=C(OCO2)C2=C1,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,1-binding,,No,X20706,success,,1-binding,,
57,1,it1.0_AM-57_furan-piperazine-01,PHIP-Am1-57,Cn1cc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cn1,SAR around urea,Iteration 1.0,,N/D,,success,y (trace),,"['Failed - low resolution', 'Data processing fail']","['PHIPA-x10078', 'PHIPA-x10198']","['4.17', '']",no,,,,,,,AM-57,CN1C=C(C=N1)N,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,1793,2500,1.5,710,,835,0.01,1.3,2-Kd low confidence,,No,X20706,success,,2-Kd low confidence,,
58,1,it1.0_AM-58_furan-piperazine-01,PHIP-Am1-58,O=C(Nc1cnns1)N1CCN(C(=O)c2ccco2)CC1,SAR around urea,Iteration 1.0,,N/D,,fail,n,,"['Data processing fail', 'Data processing fail']","['PHIPA-x10079', 'PHIPA-x10199']","['', '']",no,,,,,,,AM-58,C1=C(SN=N1)N,furan-piperazine-01,O=C(N1CCN(C(N2C=C[N+]=C2)=O)CC1)C3=CC=CO3.[I-],-,-,,,,,,,,,0-no binding,,No,X20706,fail,,0-no binding,,
59,1.1,it1.0_AM-01_morpholine - 01,PHIP-Am2-01,CCOC(=O)N1CCN(C(=O)N2CCOCC2)CC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['Data processing fail', 'success']","['PHIPA-x10082', 'PHIPA-x10202']","['', '2.52']",no,,,,,,,AM-01,C1CN(CCN1)C(=O)OCC,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
60,1.1,it1.0_AM-02_morpholine - 01,PHIP-Am2-02,O=C(Nc1ccccc1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (mix),,"['success', 'success']","['PHIPA-x10083', 'PHIPA-x10203']","['1.37', '1.200']",no,,,,,,,AM-02,C1(=CC=CC=C1)N,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
61,1.1,it1.0_AM-03_morpholine - 01,PHIP-Am2-03,O=C(NC1CCCCC1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['success', 'success']","['PHIPA-x10084', 'PHIPA-x10204']","['2.09', '1.197']",no,,,,,,,AM-03,C1(CCCCC1)N,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
62,1.1,it1.0_AM-04_morpholine - 01,PHIP-Am2-04,O=C(N1CCOCC1)N1CCN(CCO)CC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (trace),,"['success', 'success']","['PHIPA-x10085', 'PHIPA-x10205']","['1.201', '1.15']",no,,,,,,,AM-04,OCCN1CCNCC1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
63,1.1,it1.0_AM-05_morpholine - 01,PHIP-Am2-05,CN1CCC(NC(=O)N2CCOCC2)CC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['success', 'success']","['PHIPA-x10086', 'PHIPA-x10206']","['1.218', '1.25']",no,,,,,,,AM-05,NC1CCN(C)CC1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
64,1.1,it1.0_AM-06_morpholine - 01,PHIP-Am2-06,O=C(NC1CCCC1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['Data processing fail', 'success']","['PHIPA-x10087', 'PHIPA-x10207']","['', '1.30']",no,,,,,,,AM-06,NC1CCCC1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
65,1.1,it1.0_AM-07_morpholine - 01,PHIP-Am2-07,O=C(N1CCOCC1)N1CCN(c2ccccc2)CC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['success', 'success']","['PHIPA-x10088', 'PHIPA-x10208']","['2.03', '1.35']",no,,,,,,,AM-07,N1(C2=CC=CC=C2)CCNCC1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
66,1.1,it1.0_AM-08_morpholine - 01,PHIP-Am2-08,O=C(N1CCOCC1)N1CCSCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['Data processing fail', 'success']","['PHIPA-x10089', 'PHIPA-x10209']","['', '1.18']",no,,,,,,,AM-08,C1CNCCS1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
67,1.1,it1.0_AM-09_morpholine - 01,PHIP-Am2-09,CN1CCN(C(=O)N2CCOCC2)CC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['success', 'success']","['PHIPA-x10090', 'PHIPA-x10210']","['1.27', '1.44']",no,,,,,,,AM-09,CN1CCNCC1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
68,1.1,it1.0_AM-10_morpholine - 01,PHIP-Am2-10,COCCNC(=O)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['success', 'success']","['PHIPA-x10091', 'PHIPA-x10211']","['1.34', '1.232']",no,,,,,,,AM-10,COCCN,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
69,1.1,it1.0_AM-11_morpholine - 01,PHIP-Am2-11,C#CCNC(=O)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['Data processing fail', 'success']","['PHIPA-x10092', 'PHIPA-x10212']","['', '1.36']",no,,,,,,,AM-11,NCC#C,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
70,1.1,it1.0_AM-12_morpholine - 01,PHIP-Am2-12,O=C(Nc1ccon1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['Data processing fail', 'success']","['PHIPA-x10093', 'PHIPA-x10213']","['', '1.48']",no,,,,,,,AM-12,NC1=NOC=C1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
71,1.1,it1.0_AM-13_morpholine - 01,PHIP-Am2-13,O=C(NCCN1CCOCC1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (trace),,"['Data processing fail', 'success']","['PHIPA-x10094', 'PHIPA-x10214']","['', '1.54']",no,,,,,,,AM-13,NCCN1CCOCC1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
72,1.1,it1.0_AM-14_morpholine - 01,PHIP-Am2-14,O=C(NCc1ccccc1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['success', 'success']","['PHIPA-x10095', 'PHIPA-x10215']","['1.64', '1.48']",no,,,,,,,AM-14,NCC1=CC=CC=C1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
73,1.1,it1.0_AM-15_morpholine - 01,PHIP-Am2-15,CCCCNC(=O)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['success', 'success']","['PHIPA-x10096', 'PHIPA-x10216']","['1.204', '1.44']",no,,,,,,,AM-15,NCCCC,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
74,1.1,it1.0_AM-16_morpholine - 01,PHIP-Am2-16,O=C(NCc1cccnc1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['success', 'success']","['PHIPA-x10097', 'PHIPA-x10217']","['1.81', '1.70']",no,,,,,,,AM-16,NCC1=CC=CN=C1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
75,1.1,it1.0_AM-17_morpholine - 01,PHIP-Am2-17,O=C(Nc1ccc2ncsc2c1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y ,,"['success', 'success']","['PHIPA-x10098', 'PHIPA-x10218']","['1.221', '1.50']",no,,,,,,,AM-17,NC1=CC=C2C(SC=N2)=C1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
76,1.1,it1.0_AM-18_morpholine - 01,PHIP-Am2-18,COc1ccc(NC(=O)N2CCOCC2)c(F)c1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (mix),,"['success', 'success']","['PHIPA-x10099', 'PHIPA-x10219']","['1.23', '1.215']",no,,,,,,,AM-18,NC1=CC=C(OC)C=C1F,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
77,1.1,it1.0_AM-19_morpholine - 01,PHIP-Am2-19,CC(C)CCNC(=O)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['success', 'success']","['PHIPA-x10100', 'PHIPA-x10220']","['1.29', '1.48']",no,,,,,,,AM-19,CC(C)CCN,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
78,1.1,it1.0_AM-20_morpholine - 01,PHIP-Am2-20,O=C(Nc1nc2ccccc2o1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (major),,"['success', 'success']","['PHIPA-x10101', 'PHIPA-x10221']","['1.182', '1.27']",no,,,,,,,AM-20,NC1=NC2=CC=CC=C2O1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
79,1.1,it1.0_AM-21_morpholine - 01,PHIP-Am2-21,CCCCCNC(=O)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (major),,"['Data processing fail', 'success']","['PHIPA-x10102', 'PHIPA-x10222']","['', '1.37']",no,,,,,,,AM-21,NCCCCC,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
80,1.1,it1.0_AM-22_morpholine - 01,PHIP-Am2-22,CC(C)CC(CO)NC(=O)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (major),,"['Data processing fail', 'success']","['PHIPA-x10103', 'PHIPA-x10223']","['', '1.40']",no,,,,,,,AM-22,NC(CO)CC(C)C,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
81,1.1,it1.0_AM-23_morpholine - 01,PHIP-Am2-23,CN(C)CCN(C)C(=O)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['success', 'success']","['PHIPA-x10104', 'PHIPA-x10224']","['2.88', '1.52']",no,,,,,,,AM-23,CN(C)CCNC,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
82,1.1,it1.0_AM-24_morpholine - 01,PHIP-Am2-24,CCCNC(=O)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (major),,"['Data processing fail', 'success']","['PHIPA-x10105', 'PHIPA-x10225']","['', '2.04']",no,,,,,,,AM-24,CCCN,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
83,1.1,it1.0_AM-25_morpholine - 01,PHIP-Am2-25,COc1ccc(NC(=O)N2CCOCC2)cc1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (major),,"['success', 'success']","['PHIPA-x10106', 'PHIPA-x10226']","['2.41', '1.36']",no,,,,,,,AM-25,COC1=CC=C(N)C=C1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
84,1.1,it1.0_AM-26_morpholine - 01,PHIP-Am2-26,O=C(N1CCOCC1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['Data processing fail', 'success']","['PHIPA-x10107', 'PHIPA-x10227']","['', '2.88']",no,,,,,,,AM-26,Cl[H].C1OCCNC1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
85,1.1,it1.0_AM-27_morpholine - 01,PHIP-Am2-27,O=C(NCC1CC1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['success', 'success']","['PHIPA-x10108', 'PHIPA-x10228']","['1.215', '1.197']",no,,,,,,,AM-27,NCC1CC1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
86,1.1,it1.0_AM-28_morpholine - 01,PHIP-Am2-28,NCCNC(=O)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['success', 'success']","['PHIPA-x10109', 'PHIPA-x10229']","['2.46', '1.233']",no,,,,,,,AM-28,NCCN,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
87,1.1,it1.0_AM-29_morpholine - 01,PHIP-Am2-29,CCN(CC)C(=O)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['success', 'success']","['PHIPA-x10110', 'PHIPA-x10230']","['1.76', '1.49']",no,,,,,,,AM-29,CCNCC,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
88,1.1,it1.0_AM-30_morpholine - 01,PHIP-Am2-30,O=C(NC1CC1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['success', 'success']","['PHIPA-x10111', 'PHIPA-x10231']","['1.221', '2.25']",no,,,,,,,AM-30,NC1CC1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
89,1.1,it1.0_AM-31_morpholine - 01,PHIP-Am2-31,CC(C)NC(=O)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['success', 'success']","['PHIPA-x10112', 'PHIPA-x10232']","['1.44', '1.184']",no,,,,,,,AM-31,NC(C)C,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
90,1.1,it1.0_AM-32_morpholine - 01,PHIP-Am2-32,O=C(NCC(F)(F)F)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['success', 'Failed - low resolution']","['PHIPA-x10113', 'PHIPA-x10233']","['1.48', '3.75']",no,,,,,,,AM-32,NCC(F)(F)F,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
91,1.1,it1.0_AM-33_morpholine - 01,PHIP-Am2-33,O=C(Nc1ncco1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['Data processing fail', 'success']","['PHIPA-x10114', 'PHIPA-x10234']","['', '1.20']",no,,,,,,,AM-33,NC1=NC=CO1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
92,1.1,it1.0_AM-34_morpholine - 01,PHIP-Am2-34,O=C(Nc1cccnc1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['success', 'success']","['PHIPA-x10115', 'PHIPA-x10235']","['1.32', '1.203']",no,,,,,,,AM-34,NC1=CC=CN=C1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
93,1.1,it1.0_AM-35_morpholine - 01,PHIP-Am2-35,O=C(Nc1ccccc1F)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (mix),,"['success', 'success']","['PHIPA-x10116', 'PHIPA-x10236']","['1.25', '1.30']",no,,,,,,,AM-35,NC1=CC=CC=C1F,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
94,1.1,it1.0_AM-36_morpholine - 01,PHIP-Am2-36,O=C(Nc1ccccc1Cl)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (major),,"['success', 'success']","['PHIPA-x10117', 'PHIPA-x10237']","['0.91', '1.37']",no,,,,,,,AM-36,NC1=CC=CC=C1Cl,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
95,1.1,it1.0_AM-37_morpholine - 01,PHIP-Am2-37,O=C(Nc1ccccn1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['Data processing fail', 'success']","['PHIPA-x10118', 'PHIPA-x10238']","['', '1.28']",no,,,,,,,AM-37,NC1=CC=CC=N1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
96,1.1,it1.0_AM-38_morpholine - 01,PHIP-Am2-38,CS(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['success', 'success']","['PHIPA-x10119', 'PHIPA-x10239']","['1.190', '1.95']",no,,,,,,,AM-38,O=S(N1CCNCC1)(C)=O,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
97,1.1,it1.0_AM-39_morpholine - 01,PHIP-Am2-39,CSc1nsc(NC(=O)N2CCOCC2)n1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (major),,"['Data processing fail', 'Data processing fail']","['PHIPA-x10120', 'PHIPA-x10240']","['', '']",no,,,,,,,AM-39,CSC1=NSC(N)=N1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
98,1.1,it1.0_AM-40_morpholine - 01,PHIP-Am2-40,CC(C)C(=O)N1CCN(C(=O)N2CCOCC2)CC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['success', 'success']","['PHIPA-x10121', 'PHIPA-x10241']","['1.27', '1.47']",no,,,,,,,AM-40,CC(C)C(=O)N1CCNCC1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
99,1.1,it1.0_AM-41_morpholine - 01,PHIP-Am2-41,O=C(Nc1ncncc1Br)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['success', 'success']","['PHIPA-x10122', 'PHIPA-x10242']","['1.67', '2.25']",no,,,,,,,AM-41,C1=C(C(=NC=N1)N)Br,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
100,1.1,it1.0_AM-42_morpholine - 01,PHIP-Am2-42,O=C(Nc1nc2ccccc2[nH]1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (mix),,"['success', 'success']","['PHIPA-x10123', 'PHIPA-x10243']","['1.23', '1.227']",no,,,,,,,AM-42,C1=CC=C2C(=C1)NC(=N2)N,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
101,1.1,it1.0_AM-43_morpholine - 01,PHIP-Am2-43,Nc1ccc(CC(=O)NC(=O)N2CCOCC2)cc1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['Data processing fail', 'Data processing fail']","['PHIPA-x10124', 'PHIPA-x10244']","['', '']",no,,,,,,,AM-43,C1=CC(=CC=C1CC(=O)N)N,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
102,1.1,it1.0_AM-44_morpholine - 01,PHIP-Am2-44,O=C(Nc1ncccn1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['Data processing fail', 'success']","['PHIPA-x10125', 'PHIPA-x10245']","['', '1.22']",no,,,,,,,AM-44,C1=CN=C(N=C1)N,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
103,1.1,it1.0_AM-45_morpholine - 01,PHIP-Am2-45,N#Cc1cccc(NC(=O)N2CCOCC2)c1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (mix),,"['Failed - low resolution', 'success']","['PHIPA-x10126', 'PHIPA-x10246']","['3.63', '1.190']",no,,,,,,,AM-45,C1=CC(=CC(=C1)N)C#N,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
104,1.1,it1.0_AM-46_morpholine - 01,PHIP-Am2-46,O=C1CNCCN1C(=O)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['success', 'success']","['PHIPA-x10127', 'PHIPA-x10247']","['1.46', '1.43']",no,,,,,,,AM-46,C1CNC(=O)CN1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
105,1.1,it1.0_AM-47_morpholine - 01,PHIP-Am2-47,O=C(N1CCOCC1)N1CCN(Cc2ccco2)CC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y ,,"['Data processing fail', 'Data processing fail']","['PHIPA-x10128', 'PHIPA-x10248']","['', '']",no,,,,,,,AM-47,C1CN(CCN1)CC2=CC=CO2,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
106,1.1,it1.0_AM-48_morpholine - 01,PHIP-Am2-48,Cc1cc(C)c(NC(=O)N2CCOCC2)c(C)c1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (mix),,"['Data processing fail', 'Data processing fail']","['PHIPA-x10129', 'PHIPA-x10249']","['', '']",no,,,,,,,AM-48,CC1=CC(=C(C(=C1)C)N)C,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
107,1.1,it1.0_AM-49_morpholine - 01,PHIP-Am2-49,COc1ccc(C)cc1NC(=O)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (major),,"['Data processing fail', 'Data processing fail']","['PHIPA-x10130', 'PHIPA-x10250']","['', '']",no,,,,,,,AM-49,CC1=CC(=C(C=C1)OC)N,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
108,1.1,it1.0_AM-50_morpholine - 01,PHIP-Am2-50,O=C(Nc1ccc(F)cc1F)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,N/A (major peak has no MS),,"['Data processing fail', 'success']","['PHIPA-x10131', 'PHIPA-x10251']","['', '2.03']",no,,,,,,,AM-50,C1=CC(=C(C=C1F)F)N,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
109,1.1,it1.0_AM-51_morpholine - 01,PHIP-Am2-51,O=C(Nc1ccccc1OC(F)(F)F)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['Data processing fail', 'Data processing fail']","['PHIPA-x10132', 'PHIPA-x10252']","['', '']",no,,,,,,,AM-51,C1=CC=C(C(=C1)N)OC(F)(F)F,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
110,1.1,it1.0_AM-52_morpholine - 01,PHIP-Am2-52,O=C(Nc1cccc(O)c1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['Data processing fail', 'success']","['PHIPA-x10133', 'PHIPA-x10253']","['', '2.07']",no,,,,,,,AM-52,C1=CC(=CC(=C1)O)N,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
111,1.1,it1.0_AM-53_morpholine - 01,PHIP-Am2-53,CC(C)(C)OC(=O)Nc1cccc(CNC(=O)N2CCOCC2)c1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (mix),,"['Data processing fail', 'success']","['PHIPA-x10134', 'PHIPA-x10254']","['', '1.28']",no,,,,,,,AM-53,CC(C)(C)OC(=O)NC1=CC=CC(=C1)CN,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
112,1.1,it1.0_AM-54_morpholine - 01,PHIP-Am2-54,O=C(NCc1cccs1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (low),,"['Data processing fail', 'Data processing fail']","['PHIPA-x10135', 'PHIPA-x10255']","['', '']",no,,,,,,,AM-54,C1=CSC(=C1)CN,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
113,1.1,it1.0_AM-55_morpholine - 01,PHIP-Am2-55,CN(C(=O)N1CCOCC1)C1CCS(=O)(=O)C1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (mix),,"['success', 'success']","['PHIPA-x10136', 'PHIPA-x10256']","['1.42', '1.42']",no,,,,,,,AM-55,CNC1CCS(=O)(=O)C1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
114,1.1,it1.0_AM-56_morpholine - 01,PHIP-Am2-56,O=C(NCc1ccc2c(c1)OCO2)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y (major),,"['Data processing fail', 'Data processing fail']","['PHIPA-x10137', 'PHIPA-x10257']","['', '']",no,,,,,,,AM-56,NCC1=CC=C(OCO2)C2=C1,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
115,1.1,it1.0_AM-57_morpholine - 01,PHIP-Am2-57,Cn1cc(NC(=O)N2CCOCC2)cn1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,success,y,,"['Data processing fail', 'Data processing fail']","['PHIPA-x10138', 'PHIPA-x10258']","['', '']",no,,,,,,,AM-57,CN1C=C(C=N1)N,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,success,,,,
116,1.1,it1.0_AM-58_morpholine - 01,PHIP-Am2-58,O=C(Nc1cnns1)N1CCOCC1,morpholine instead of piperazine to check that the presence of the furan is important for binding,Iteration 1.1,,N/D,,fail,n,,"['Data processing fail', 'success']","['PHIPA-x10139', 'PHIPA-x10259']","['', '1.58']",no,,,,,,,AM-58,C1=C(SN=N1)N,morpholine - 01,O=C(N1CCOCC1)N2C=[N+]C=C2.[I-],-,-,,,,,,,,,,,No,X20561,fail,,,,
117,2,it2.0_CA-01_piperazine-01,PHIP-s2-am-ca01,O=C(Cc1c[nH]cn1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10292'],['1.15'],no,,,,,,,CA-01,O=C(O)CC1=CNC=N1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
118,2,it2.0_CA-02_piperazine-01,PHIP-s2-am-ca02,O=C(c1ccco1)N1CCN(C(=O)c2scc3c2OCCO3)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10293'],['1.53'],no,,,,,,,CA-02,O=C(O)C1=C(OCCO2)C2=CS1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
119,2,it2.0_CA-03_piperazine-01,PHIP-s2-am-ca03,O=C(c1ccco1)N1CCN(C(=O)C(O)c2ccccc2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10294'],['1.15'],no,,,,,,,CA-03,OC(C(O)=O)C1=CC=CC=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
120,2,it2.0_CA-04_piperazine-01,PHIP-s2-am-ca04,O=C(c1cocn1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10295'],['1.27'],no,,,,,,,CA-04,O=C(O)C1=COC=N1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
121,2,it2.0_CA-05_piperazine-01,PHIP-s2-am-ca05,Cc1cc(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10296'],['1.28'],no,,,,,,,CA-05,CC(C=C(C)C=C1C)=C1C(O)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
122,2,it2.0_CA-06_piperazine-01,PHIP-s2-am-ca06,O=C(C#Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10297'],['1.40'],no,,,,,,,CA-06,O=C(O)C#CC1=CC=CC=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
123,2,it2.0_CA-07_piperazine-01,PHIP-s2-am-ca07,O=C(CCc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10298'],['1.37'],no,,,,,,,CA-07,O=C(CCC1=CC=C(Cl)C=C1)O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
124,2,it2.0_CA-08_piperazine-01,PHIP-s2-am-ca08,Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1N,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10299'],['1.202'],no,,,,,,,CA-08,O=C(O)C1=CC(N)=C(C)C=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
125,2,it2.0_CA-09_piperazine-01,PHIP-s2-am-ca09,O=C(c1ccco1)N1CCN(C(=O)c2ccc3cccnc3c2O)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10300'],['1.219'],no,,,,,,,CA-09,O=C(C1=C(O)C2=C(C=C1)C=CC=N2)O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
126,2,it2.0_CA-10_piperazine-01,PHIP-s2-am-ca10,Cn1nccc1C(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10301'],['1.24'],no,,,,,,,CA-10,O=C(O)C1=CC=NN1C,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
127,2,it2.0_CA-11_piperazine-01,PHIP-s2-am-ca11,COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10302'],['1.24'],no,,,,,,,CA-11,O=C(C1=C(OC)C=CC=C1OC)O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
128,2,it2.0_CA-12_piperazine-01,PHIP-s2-am-ca12,Cn1cnc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10303'],['1.200'],no,,,,,,,CA-12,O=C(C1=CN(C)C=N1)O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
129,2,it2.0_CA-13_piperazine-01,PHIP-s2-am-ca13,O=C(Cc1ccc(Cl)nc1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10304'],['1.171'],no,,,,,,,CA-13,O=C(CC1=CN=C(Cl)C=C1)O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
130,2,it2.0_CA-14_piperazine-01,PHIP-s2-am-ca14,O=C(c1ccccn1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10305'],['1.32'],no,,,,,,,CA-14,O=C(O)C1=NC=CC=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
131,2,it2.0_CA-15_piperazine-01,PHIP-s2-am-ca15,O=C(CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10306'],['1.212'],no,,,,,,,CA-15,O=C(O)CCC1=CC=CC=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
132,2,it2.0_CA-16_piperazine-01,PHIP-s2-am-ca16,COc1cc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1O,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10307'],['1.23'],no,,,,,,,CA-16,O=C(O)CC1=CC(OC)=C(O)C=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
133,2,it2.0_CA-17_piperazine-01,PHIP-s2-am-ca17,O=C(Cc1cc[cH-]c1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10308'],['1.20'],no,,,,,,,CA-17,OC(CC1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
134,2,it2.0_CA-18_piperazine-01,PHIP-s2-am-ca18,O=C(c1ccc2ncsc2c1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10309'],['1.30'],no,,,,,,,CA-18,OC(C1=CC=C(N=CS2)C2=C1)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
135,2,it2.0_CA-19_piperazine-01,PHIP-s2-am-ca19,O=C(c1ccc2ncccc2c1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10310'],['1.182'],no,,,,,,,CA-19,OC(C1=CC=C(N=CC=C2)C2=C1)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
136,2,it2.0_CA-20_piperazine-01,PHIP-s2-am-ca20,O=C(c1ccco1)N1CCN(C(=O)c2ccccc2O)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10311'],['1.196'],no,,,,,,,CA-20,OC(C1=CC=CC=C1O)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
137,2,it2.0_CA-21_piperazine-01,PHIP-s2-am-ca21,O=C(c1ccco1)N1CCN(C(=O)c2ccccc2I)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10312'],['1.191'],no,,,,,,,CA-21,OC(C1=CC=CC=C1I)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
138,2,it2.0_CA-22_piperazine-01,PHIP-s2-am-ca22,O=C(c1ccco1)N1CCN(C(=O)C(C2CCCCC2)C2CCCCC2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['Data processing fail'],['PHIPA-x10313'],[''],no,,,,,,,CA-22,O=C(O)C(C1CCCCC1)C2CCCCC2,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
139,2,it2.0_CA-23_piperazine-01,PHIP-s2-am-ca23,O=C(c1c[nH]cn1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10314'],['1.191'],no,,,,,,,CA-23,O=C(C1=CNC=N1)O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
140,2,it2.0_CA-24_piperazine-01,PHIP-s2-am-ca24,COc1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1N,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10315'],['1.15'],no,,,,,,,CA-24,O=C(C1=CC=CC(OC)=C1N)O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
141,2,it2.0_CA-25_piperazine-01,PHIP-s2-am-ca25,COc1ccc(OC)c(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10316'],['1.192'],no,,,,,,,CA-25,O=C(CC1=CC(OC)=CC=C1OC)O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
142,2,it2.0_CA-26_piperazine-01,PHIP-s2-am-ca26,O=C(c1ccco1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10317'],['1.48'],no,,,,,,,CA-26,ClC1=C(C(O)=O)SC2=CC=CC=C21,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
143,2,it2.0_CA-27_piperazine-01,PHIP-s2-am-ca27,O=C(c1ccco1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10318'],['1.16'],no,,,,,,,CA-27,OC(C(C1=CC=CC=C1)C2=CC=CC=C2)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
144,2,it2.0_CA-28_piperazine-01,PHIP-s2-am-ca28,CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10319'],['1.22'],no,,,,,,,CA-28,OC(C1N(C(OC(C)(C)C)=O)CCCC1)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
145,2,it2.0_CA-29_piperazine-01,PHIP-s2-am-ca29,Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10320'],['1.24'],no,,,,,,,CA-29,OC(C1=C(C)C=C([N+]([O-])=O)C=C1)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
146,2,it2.0_CA-30_piperazine-01,PHIP-s2-am-ca30,C#CCCCC(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10321'],['1.226'],no,,,,,,,CA-30,OC(CCCC#C)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
147,2,it2.0_CA-31_piperazine-01,PHIP-s2-am-ca31,O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10322'],['1.30'],no,,,,,,,CA-31,OC(/C=C/C1=CC=C([N+]([O-])=O)C=C1)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
148,2,it2.0_CA-32_piperazine-01,PHIP-s2-am-ca32,COC(=O)CCCCCCC(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10323'],['1.30'],no,,,,,,,CA-32,OC(CCCCCCC(OC)=O)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
149,2,it2.0_CA-33_piperazine-01,PHIP-s2-am-ca33,O=C(c1cc[cH-]c1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10324'],['1.195'],no,,,,,,,CA-33,OC(C1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
150,2,it2.0_CA-34_piperazine-01,PHIP-s2-am-ca34,Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10325'],['1.24'],no,,,,,,,CA-34,CC1=CC=C(C(O)=O)C=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
151,2,it2.0_CA-35_piperazine-01,PHIP-s2-am-ca35,Cn1cccc1C(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10326'],['1.14'],no,,,,,,,CA-35,CN1C(C(O)=O)=CC=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
152,2,it2.0_CA-36_piperazine-01,PHIP-s2-am-ca36,O=C(c1cc(O)c2cccc(O)c2n1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10327'],['1.32'],no,,,,,,,CA-36,OC1=CC(C(O)=O)=NC2=C1C=CC=C2O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
153,2,it2.0_CA-37_piperazine-01,PHIP-s2-am-ca37,COc1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10328'],['1.43'],no,,,,,,,CA-37,COC1=CC=CC(C(O)=O)=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
154,2,it2.0_CA-38_piperazine-01,PHIP-s2-am-ca38,O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10329'],['1.44'],no,,,,,,,CA-38,O=C(O)C1=CC=C([N+]([O-])=O)C=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
155,2,it2.0_CA-39_piperazine-01,PHIP-s2-am-ca39,O=C(c1ccc2cccc(O)c2n1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10330'],['1.35'],no,,,,,,,CA-39,OC1=CC=CC(C=C2)=C1N=C2C(O)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
156,2,it2.0_CA-40_piperazine-01,PHIP-s2-am-ca40,CCCCCCCCCCCCCCCC(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10331'],['1.23'],no,,,,,,,CA-40,CCCCCCCCCCCCCCCC(O)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
157,2,it2.0_CA-41_piperazine-01,PHIP-s2-am-ca41,O=C(c1ccco1)N1CCN(C(=O)C2COc3ccccc3O2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10332'],['1.38'],no,,,,,,,CA-41,OC(C1COC2=CC=CC=C2O1)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
158,2,it2.0_CA-42_piperazine-01,PHIP-s2-am-ca42,O=C(c1ccco1)N1CCN(C(=O)c2cccs2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10333'],['1.29'],no,,,,,,,CA-42,OC(C1=CC=CS1)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
159,2,it2.0_CA-43_piperazine-01,PHIP-s2-am-ca43,O=C(c1cncc(Br)c1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10334'],['1.203'],no,,,,,,,CA-43,OC(C1=CC(Br)=CN=C1)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
160,2,it2.0_CA-44_piperazine-01,PHIP-s2-am-ca44,C=CCCC(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10335'],['1.19'],no,,,,,,,CA-44,OC(CCC=C)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
161,2,it2.0_CA-45_piperazine-01,PHIP-s2-am-ca45,O=C(c1ccco1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10336'],['1.18'],no,,,,,,,CA-45,OC(C1=CC=C([N+]([O-])=O)O1)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
162,2,it2.0_CA-46_piperazine-01,PHIP-s2-am-ca46,CC(O)C(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10337'],['1.29'],no,,,,,,,CA-46,OC(C(C)O)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
163,2,it2.0_CA-47_piperazine-01,PHIP-s2-am-ca47,CC(c1ccccc1)N1CC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10338'],['1.258'],no,,,,,,,CA-47,OC(C1CC(N(C(C2=CC=CC=C2)C)C1)=O)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
164,2,it2.0_CA-48_piperazine-01,PHIP-s2-am-ca48,O=C(CN1CCS(=O)(=O)CC1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10339'],['1.35'],no,,,,,,,CA-48,OC(CN1CCS(CC1)(=O)=O)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
165,2,it2.0_CA-49_piperazine-01,PHIP-s2-am-ca49,CNC(=O)C1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10340'],['1.48'],no,,,,,,,CA-49,OC(C1(CC1)C(NC)=O)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
166,2,it2.0_CA-50_piperazine-01,PHIP-s2-am-ca50,O=C(c1cccc(Cn2ccnc2)c1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['Data processing fail'],['PHIPA-x10341'],[''],no,,,,,,,CA-50,OC(C1=CC=CC(CN2C=CN=C2)=C1)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
167,2,it2.0_CA-51_piperazine-01,PHIP-s2-am-ca51,CNc1ccccc1C(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10342'],['1.28'],no,,,,,,,CA-51,CNC1=CC=CC=C1C(O)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
168,2,it2.0_CA-52_piperazine-01,PHIP-s2-am-ca52,Cc1cc(C)nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10343'],['1.24'],no,,,,,,,CA-52,CC1=NC(C(O)=O)=CC(C)=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
169,2,it2.0_CA-53_piperazine-01,PHIP-s2-am-ca53,O=C(c1ccco1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10344'],['1.40'],no,,,,,,,CA-53,O=C(O)C1=CC=CO1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
170,2,it2.0_CA-54_piperazine-01,PHIP-s2-am-ca54,Cc1ccc(F)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10345'],['1.56'],no,,,,,,,CA-54,FC1=CC=C(C)C(C(O)=O)=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
171,2,it2.0_CA-55_piperazine-01,PHIP-s2-am-ca55,Cc1cccc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10346'],['1.43'],no,,,,,,,CA-55,CC1=CC=CC(CC(O)=O)=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
172,2,it2.0_CA-56_piperazine-01,PHIP-s2-am-ca56,O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,"['success', 'success', 'success']","['PHIPA-x10347', 'PHIPA-x12271', 'PHIPA-x12272']","['1.15', '1.21', '1.72']",yes,['PHIPA-x10347'],['5S8X'],['SM'],['O=C(O)c1ccc(Cl)c(Cl)c1'],['ok'],['SM fairly weak'],CA-56,ClC1=C(Cl)C=CC(C(O)=O)=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
173,2,it2.0_CA-57_piperazine-01,PHIP-s2-am-ca57,Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10348'],['1.21'],no,,,,,,,CA-57,CC(C=CC=C1)=C1CC(O)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
174,2,it2.0_CA-58_piperazine-01,PHIP-s2-am-ca58,O=C(c1cccc(O)c1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10349'],['1.53'],no,,,,,,,CA-58,OC1=CC=CC(C(O)=O)=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
175,2,it2.0_CA-59_piperazine-01,PHIP-s2-am-ca59,O=C(Cc1cccc(O)c1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10350'],['1.67'],no,,,,,,,CA-59,OC1=CC=CC(CC(O)=O)=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
176,2,it2.0_CA-60_piperazine-01,PHIP-s2-am-ca60,COc1cccc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10351'],['1.38'],no,,,,,,,CA-60,COC1=CC=CC(CC(O)=O)=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
177,2,it2.0_CA-61_piperazine-01,PHIP-s2-am-ca61,O=C(c1ccco1)N1CCN(C(=O)C(F)(F)F)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10352'],['1.23'],no,,,,,,,CA-61,FC(F)(F)C(O)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
178,2,it2.0_CA-62_piperazine-01,PHIP-s2-am-ca62,NCC(=O)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10353'],['2.66'],no,,,,,,,CA-62,NCC(O)=O,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
179,2,it2.0_CA-63_piperazine-01,PHIP-s2-am-ca63,O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10354'],['1.237'],no,,,,,,,CA-63,O=C(O)[C@H]1NCCC1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
180,2,it2.0_CA-64_piperazine-01,PHIP-s2-am-ca64,O=C(c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,similar to iteration 1.0 but with ester FGs instead of ureas,Iteration 2.0,,,unknown,QC not found,,,['success'],['PHIPA-x10355'],['1.37'],no,,,,,,,CA-64,O=C(O)C1=CC=CC=C1,piperazine-01,O=C(N1CCNCC1)C2=CC=CO2,-,-,,,,,,,,,,,,X20706,QC not found,,,,
181,3,it3.0_AM-01_Imid-04_CA-01,PHIP-s3-am1-CA01,COCCNC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac01,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10358'],['1.24'],yes,['PHIPA-x10358'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-01,O=C(O)CC1=CNC=N1,,,,,,,,,,,,,X20706?,fail,,,,
182,3,it3.0_AM-01_Imid-04_CA-02,PHIP-s3-am1-CA02,COCCNC(=O)N1CCN(C(=O)c2scc3c2OCCO3)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac02,N/D,60%,success,no comment,no comment,['success'],['PHIPA-x10359'],['1.27'],yes,['PHIPA-x10359'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-02,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,,X20706?,success,,,,
183,3,it3.0_AM-01_Imid-04_CA-03,PHIP-s3-am1-CA03,COCCNC(=O)N1CCN(C(=O)C(O)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac03,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10360'],['1.28'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-03,OC(C(O)=O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
184,3,it3.0_AM-01_Imid-04_CA-04,PHIP-s3-am1-CA04,COCCNC(=O)N1CCN(C(=O)c2cocn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac04,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10361'],['1.34'],yes,['PHIPA-x10361'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-04,O=C(O)C1=COC=N1,,,,,,,,,,,,,X20706?,fail,,,,
185,3,it3.0_AM-01_Imid-04_CA-05,PHIP-s3-am1-CA05,COCCNC(=O)N1CCN(C(=O)c2c(C)cc(C)cc2C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac05,N/D,83%,success,no comment,no comment,['success'],['PHIPA-x10362'],['1.21'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-05,CC(C=C(C)C=C1C)=C1C(O)=O,,,,,,,,,,,,,X20706?,success,,,,
186,3,it3.0_AM-01_Imid-04_CA-06,PHIP-s3-am1-CA06,COCCNC(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac06,N/D,82%,success,no comment,no comment,['success'],['PHIPA-x10363'],['1.25'],yes,['PHIPA-x10363'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-06,O=C(O)C#CC1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
187,3,it3.0_AM-01_Imid-04_CA-07,PHIP-s3-am1-CA07,COCCNC(=O)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac07,N/D,52%,success,no comment,no comment,['success'],['PHIPA-x10364'],['1.51'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-07,O=C(CCC1=CC=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,success,,,,
188,3,it3.0_AM-01_Imid-04_CA-08,PHIP-s3-am1-CA08,COCCNC(=O)N1CCN(C(=O)c2ccc(C)c(N)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac08,N/D,0% (dimethyl product?),fail,no comment,no comment,['success'],['PHIPA-x10365'],['1.220'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-08,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
189,3,it3.0_AM-01_Imid-04_CA-09,PHIP-s3-am1-CA09,COCCNC(=O)N1CCN(C(=O)c2ccc3cccnc3c2O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac09,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10366'],['1.28'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-09,O=C(C1=C(O)C2=C(C=C1)C=CC=N2)O,,,,,,,,,,,,,X20706?,fail,,,,
190,3,it3.0_AM-01_Imid-04_CA-10,PHIP-s3-am1-CA10,COCCNC(=O)N1CCN(C(=O)c2ccnn2C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac10,N/D,100% (in solvent front),success,no comment,no comment,['success'],['PHIPA-x10367'],['1.30'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-10,O=C(O)C1=CC=NN1C,,,,,,,,,,,,,X20706?,success,,,,
191,3,it3.0_AM-01_Imid-04_CA-11,PHIP-s3-am1-CA11,COCCNC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac11,N/D,71%,success,no comment,no comment,['success'],['PHIPA-x10368'],['1.21'],yes,['PHIPA-x10368'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-11,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,,X20706?,success,,,,
192,3,it3.0_AM-01_Imid-04_CA-12,PHIP-s3-am1-CA12,COCCNC(=O)N1CCN(C(=O)c2cn(C)cn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac12,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10369'],['1.27'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-12,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
193,3,it3.0_AM-01_Imid-04_CA-13,PHIP-s3-am1-CA13,COCCNC(=O)N1CCN(C(=O)Cc2ccc(Cl)nc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac13,N/D,72%,success,no comment,no comment,['success'],['PHIPA-x10370'],['1.15'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-13,O=C(CC1=CN=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,success,,,,
194,3,it3.0_AM-01_Imid-04_CA-14,PHIP-s3-am1-CA14,COCCNC(=O)N1CCN(C(=O)c2ccccn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac14,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10371'],['1.21'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-14,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
195,3,it3.0_AM-01_Imid-04_CA-15,PHIP-s3-am1-CA15,COCCNC(=O)N1CCN(C(=O)CCc2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac15,N/D,66%,success,no comment,no comment,['success'],['PHIPA-x10372'],['1.15'],yes,['PHIPA-x10372'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-15,O=C(O)CCC1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
196,3,it3.0_AM-01_Imid-04_CA-16,PHIP-s3-am1-CA16,COCCNC(=O)N1CCN(C(=O)Cc2ccc(O)c(OC)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac16,N/D,Trace,fail,no comment,no comment,['success'],['PHIPA-x10373'],['1.86'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-16,O=C(O)CC1=CC(OC)=C(O)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
197,3,it3.0_AM-01_Imid-04_CA-17,PHIP-s3-am1-CA17,COCCNC(=O)N1CCN(C(=O)Cc2cc[cH-]c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac17,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10374'],['1.203'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-17,OC(CC1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,fail,,,,
198,3,it3.0_AM-01_Imid-04_CA-18,PHIP-s3-am1-CA18,COCCNC(=O)N1CCN(C(=O)c2ccc3ncsc3c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac18,N/D,32%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10375'],[''],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-18,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
199,3,it3.0_AM-01_Imid-04_CA-19,PHIP-s3-am1-CA19,COCCNC(=O)N1CCN(C(=O)c2ccc3ncccc3c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac19,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10376'],['1.180'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-19,OC(C1=CC=C(N=CC=C2)C2=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
200,3,it3.0_AM-01_Imid-04_CA-20,PHIP-s3-am1-CA20,COCCNC(=O)N1CCN(C(=O)c2ccccc2O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac20,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10377'],['1.48'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-20,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,,X20706?,fail,,,,
201,3,it3.0_AM-01_Imid-04_CA-21,PHIP-s3-am1-CA21,COCCNC(=O)N1CCN(C(=O)c2ccccc2I)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac21,N/D,42%,success,no comment,no comment,['success'],['PHIPA-x10378'],['2.32'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-21,OC(C1=CC=CC=C1I)=O,,,,,,,,,,,,,X20706?,success,,,,
202,3,it3.0_AM-01_Imid-04_CA-22,PHIP-s3-am1-CA22,COCCNC(=O)N1CCN(C(=O)C(C2CCCCC2)C2CCCCC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac22,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10379'],['1.195'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-22,O=C(O)C(C1CCCCC1)C2CCCCC2,,,,,,,,,,,,,X20706?,fail,,,,
203,3,it3.0_AM-01_Imid-04_CA-23,PHIP-s3-am1-CA23,COCCNC(=O)N1CCN(C(=O)c2c[nH]cn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac23,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10380'],['1.15'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-23,O=C(C1=CNC=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
204,3,it3.0_AM-01_Imid-04_CA-24,PHIP-s3-am1-CA24,COCCNC(=O)N1CCN(C(=O)c2cccc(OC)c2N)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac24,N/D,No m/s of major peaks,fail,no comment,no comment,['success'],['PHIPA-x10381'],['1.37'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-24,O=C(C1=CC=CC(OC)=C1N)O,,,,,,,,,,,,,X20706?,fail,,,,
205,3,it3.0_AM-01_Imid-04_CA-25,PHIP-s3-am1-CA25,COCCNC(=O)N1CCN(C(=O)Cc2cc(OC)ccc2OC)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac25,N/D,60%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10382'],[''],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-25,O=C(CC1=CC(OC)=CC=C1OC)O,,,,,,,,,,,,,X20706?,success,,,,
206,3,it3.0_AM-01_Imid-04_CA-26,PHIP-s3-am1-CA26,COCCNC(=O)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac26,N/D,50%,success,no comment,no comment,['success'],['PHIPA-x10383'],['1.46'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-26,ClC1=C(C(O)=O)SC2=CC=CC=C21,,,,,,,,,,,,,X20706?,success,,,,
207,3,it3.0_AM-01_Imid-04_CA-27,PHIP-s3-am1-CA27,COCCNC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac27,N/D,25%,success,no comment,no comment,['success'],['PHIPA-x10384'],['1.67'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-27,OC(C(C1=CC=CC=C1)C2=CC=CC=C2)=O,,,,,,,,,,,,,X20706?,success,,,,
208,3,it3.0_AM-01_Imid-04_CA-28,PHIP-s3-am1-CA28,COCCNC(=O)N1CCN(C(=O)C2CCCCN2C(=O)OC(C)(C)C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac28,N/D,87%,success,no comment,no comment,['success'],['PHIPA-x10385'],['1.14'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-28,OC(C1N(C(OC(C)(C)C)=O)CCCC1)=O,,,,,,,,,,,,,X20706?,success,,,,
209,3,it3.0_AM-01_Imid-04_CA-29,PHIP-s3-am1-CA29,COCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac29,N/D,47%,success,no comment,no comment,['success'],['PHIPA-x10386'],['1.183'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-29,OC(C1=C(C)C=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
210,3,it3.0_AM-01_Imid-04_CA-30,PHIP-s3-am1-CA30,C#CCCCC(=O)N1CCN(C(=O)NCCOC)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac30,N/D,85%,success,no comment,no comment,['success'],['PHIPA-x10387'],['1.48'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-30,OC(CCCC#C)=O,,,,,,,,,,,,,X20706?,success,,,,
211,3,it3.0_AM-01_Imid-04_CA-31,PHIP-s3-am1-CA31,COCCNC(=O)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac31,N/D,54%,success,no comment,no comment,['success'],['PHIPA-x10388'],['1.19'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-31,OC(/C=C/C1=CC=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
212,3,it3.0_AM-01_Imid-04_CA-32,PHIP-s3-am1-CA32,COCCNC(=O)N1CCN(C(=O)CCCCCCC(=O)OC)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac32,N/D,64%,success,no comment,no comment,['success'],['PHIPA-x10389'],['1.15'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-32,OC(CCCCCCC(OC)=O)=O,,,,,,,,,,,,,X20706?,success,,,,
213,3,it3.0_AM-01_Imid-04_CA-33,PHIP-s3-am1-CA33,COCCNC(=O)N1CCN(C(=O)c2cc[cH-]c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac33,N/D,48%,success,no comment,no comment,['success'],['PHIPA-x10390'],['1.33'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-33,OC(C1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,success,,,,
214,3,it3.0_AM-01_Imid-04_CA-34,PHIP-s3-am1-CA34,COCCNC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac34,N/D,47%,success,no comment,no comment,['success'],['PHIPA-x10391'],['1.205'],yes,['PHIPA-x10391'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-34,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
215,3,it3.0_AM-01_Imid-04_CA-35,PHIP-s3-am1-CA35,COCCNC(=O)N1CCN(C(=O)c2cccn2C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac35,N/D,95%,success,no comment,no comment,['success'],['PHIPA-x10392'],['1.31'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-35,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
216,3,it3.0_AM-01_Imid-04_CA-36,PHIP-s3-am1-CA36,COCCNC(=O)N1CCN(C(=O)c2cc(O)c3cccc(O)c3n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac36,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10393'],['1.30'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-36,OC1=CC(C(O)=O)=NC2=C1C=CC=C2O,,,,,,,,,,,,,X20706?,fail,,,,
217,3,it3.0_AM-01_Imid-04_CA-37,PHIP-s3-am1-CA37,COCCNC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac37,N/D,73%,success,no comment,no comment,['success'],['PHIPA-x10394'],['1.69'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-37,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
218,3,it3.0_AM-01_Imid-04_CA-38,PHIP-s3-am1-CA38,COCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac38,N/D,53%,success,no comment,no comment,['success'],['PHIPA-x10395'],['1.25'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-38,O=C(O)C1=CC=C([N+]([O-])=O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
219,3,it3.0_AM-01_Imid-04_CA-39,PHIP-s3-am1-CA39,COCCNC(=O)N1CCN(C(=O)c2ccc3cccc(O)c3n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac39,N/D,17%,success,no comment,no comment,['success'],['PHIPA-x10396'],['1.33'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-39,OC1=CC=CC(C=C2)=C1N=C2C(O)=O,,,,,,,,,,,,,X20706?,success,,,,
220,3,it3.0_AM-01_Imid-04_CA-40,PHIP-s3-am1-CA40,CCCCCCCCCCCCCCCC(=O)N1CCN(C(=O)NCCOC)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac40,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10397'],['1.195'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-40,CCCCCCCCCCCCCCCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
221,3,it3.0_AM-01_Imid-04_CA-41,PHIP-s3-am1-CA41,COCCNC(=O)N1CCN(C(=O)C2COc3ccccc3O2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac41,N/D,41%,success,no comment,no comment,['success'],['PHIPA-x10398'],['1.200'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-41,OC(C1COC2=CC=CC=C2O1)=O,,,,,,,,,,,,,X20706?,success,,,,
222,3,it3.0_AM-01_Imid-04_CA-42,PHIP-s3-am1-CA42,COCCNC(=O)N1CCN(C(=O)c2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac42,N/D,93%,success,no comment,no comment,['success'],['PHIPA-x10399'],['1.205'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-42,OC(C1=CC=CS1)=O,,,,,,,,,,,,,X20706?,success,,,,
223,3,it3.0_AM-01_Imid-04_CA-43,PHIP-s3-am1-CA43,COCCNC(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac43,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10400'],['1.72'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-43,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
224,3,it3.0_AM-01_Imid-04_CA-44,PHIP-s3-am1-CA44,C=CCCC(=O)N1CCN(C(=O)NCCOC)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac44,N/D,92%,success,no comment,no comment,['success'],['PHIPA-x10401'],['1.20'],yes,['PHIPA-x10401'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-44,OC(CCC=C)=O,,,,,,,,,,,,,X20706?,success,,,,
225,3,it3.0_AM-01_Imid-04_CA-45,PHIP-s3-am1-CA45,COCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac45,N/D,88%,success,no comment,no comment,['success'],['PHIPA-x10402'],['1.35'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-45,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,,X20706?,success,,,,
226,3,it3.0_AM-01_Imid-04_CA-46,PHIP-s3-am1-CA46,COCCNC(=O)N1CCN(C(=O)C(C)O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac46,N/D,Mass in solvent front?,fail,no comment,no comment,['success'],['PHIPA-x10403'],['3.15'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-46,OC(C(C)O)=O,,,,,,,,,,,,,X20706?,fail,,,,
227,3,it3.0_AM-01_Imid-04_CA-47,PHIP-s3-am1-CA47,COCCNC(=O)N1CCN(C(=O)C2CC(=O)N(C(C)c3ccccc3)C2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac47,N/D,84%,success,no comment,no comment,['success'],['PHIPA-x10404'],['1.15'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-47,OC(C1CC(N(C(C2=CC=CC=C2)C)C1)=O)=O,,,,,,,,,,,,,X20706?,success,,,,
228,3,it3.0_AM-01_Imid-04_CA-48,PHIP-s3-am1-CA48,COCCNC(=O)N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac48,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10405'],[''],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-48,OC(CN1CCS(CC1)(=O)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
229,3,it3.0_AM-01_Imid-04_CA-49,PHIP-s3-am1-CA49,CNC(=O)C1(C(=O)N2CCN(C(=O)NCCOC)CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac49,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10406'],[''],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-49,OC(C1(CC1)C(NC)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
230,3,it3.0_AM-01_Imid-04_CA-50,PHIP-s3-am1-CA50,COCCNC(=O)N1CCN(C(=O)c2cccc(Cn3ccnc3)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac50,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10407'],['3.40'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-50,OC(C1=CC=CC(CN2C=CN=C2)=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
231,3,it3.0_AM-01_Imid-04_CA-51,PHIP-s3-am1-CA51,CNc1ccccc1C(=O)N1CCN(C(=O)NCCOC)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac51,N/D,No m/s of major peaks,fail,no comment,no comment,['success'],['PHIPA-x10408'],['1.202'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-51,CNC1=CC=CC=C1C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
232,3,it3.0_AM-01_Imid-04_CA-52,PHIP-s3-am1-CA52,COCCNC(=O)N1CCN(C(=O)c2cc(C)cc(C)n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac52,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10409'],['1.199'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-52,CC1=NC(C(O)=O)=CC(C)=C1,,,,,,,,,,,,,X20706?,fail,,,,
233,3,it3.0_AM-01_Imid-04_CA-53,PHIP-s3-am1-CA53,COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac53,N/D,93%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10410'],[''],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-53,O=C(O)C1=CC=CO1,,,,,,,,,,,,,X20706?,success,,,,
234,3,it3.0_AM-01_Imid-04_CA-54,PHIP-s3-am1-CA54,COCCNC(=O)N1CCN(C(=O)c2cc(F)ccc2C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac54,N/D,Trace (weak),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10411'],[''],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-54,FC1=CC=C(C)C(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
235,3,it3.0_AM-01_Imid-04_CA-55,PHIP-s3-am1-CA55,COCCNC(=O)N1CCN(C(=O)Cc2cccc(C)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac55,N/D,60%,success,no comment,no comment,['success'],['PHIPA-x10412'],['1.27'],yes,['PHIPA-x10412'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-55,CC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
236,3,it3.0_AM-01_Imid-04_CA-56,PHIP-s3-am1-CA56,COCCNC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac56,N/D,58%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10413'],[''],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-56,ClC1=C(Cl)C=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
237,3,it3.0_AM-01_Imid-04_CA-57,PHIP-s3-am1-CA57,COCCNC(=O)N1CCN(C(=O)Cc2ccccc2C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac57,N/D,38%,success,no comment,no comment,['success'],['PHIPA-x10414'],['1.204'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-57,CC(C=CC=C1)=C1CC(O)=O,,,,,,,,,,,,,X20706?,success,,,,
238,3,it3.0_AM-01_Imid-04_CA-58,PHIP-s3-am1-CA58,COCCNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac58,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10415'],['1.29'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-58,OC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
239,3,it3.0_AM-01_Imid-04_CA-59,PHIP-s3-am1-CA59,COCCNC(=O)N1CCN(C(=O)Cc2cccc(O)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac59,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10416'],['1.95'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-59,OC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
240,3,it3.0_AM-01_Imid-04_CA-60,PHIP-s3-am1-CA60,COCCNC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac60,N/D,50%,success,no comment,no comment,['success'],['PHIPA-x10417'],['1.74'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-60,COC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
241,3,it3.0_AM-01_Imid-04_CA-61,PHIP-s3-am1-CA61,COCCNC(=O)N1CCN(C(=O)C(F)(F)F)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac61,N/D,96%,success,no comment,no comment,['success'],['PHIPA-x10418'],['1.15'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-61,FC(F)(F)C(O)=O,,,,,,,,,,,,,X20706?,success,,,,
242,3,it3.0_AM-01_Imid-04_CA-62,PHIP-s3-am1-CA62,COCCNC(=O)N1CCN(C(=O)CN)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac62,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10419'],['1.39'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-62,NCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
243,3,it3.0_AM-01_Imid-04_CA-63,PHIP-s3-am1-CA63,COCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac63,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10420'],['1.46'],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-63,O=C(O)[C@H]1NCCC1,,,,,,,,,,,,,X20706?,fail,,,,
244,3,it3.0_AM-01_Imid-04_CA-64,PHIP-s3-am1-CA64,COCCNC(=O)N1CCN(C(=O)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea1-ac64,N/D,71%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10421'],[''],no,,,,,,AM-01,NCCOC,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-64,O=C(O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
245,3,it3.0_AM-02_Imid-04_CA-01,PHIP-s3-am2-CA01,O=C(Cc1c[nH]cn1)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac01,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10424'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-01,O=C(O)CC1=CNC=N1,,,,,,,,,,,,,X20706?,fail,,,,
246,3,it3.0_AM-02_Imid-04_CA-02,PHIP-s3-am2-CA02,O=C(NCC1CC1)N1CCN(C(=O)c2scc3c2OCCO3)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac02,N/D,65%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10425'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-02,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,,X20706?,success,,,,
247,3,it3.0_AM-02_Imid-04_CA-03,PHIP-s3-am2-CA03,O=C(NCC1CC1)N1CCN(C(=O)C(O)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac03,N/D,Trace (weak),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10426'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-03,OC(C(O)=O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
248,3,it3.0_AM-02_Imid-04_CA-04,PHIP-s3-am2-CA04,O=C(NCC1CC1)N1CCN(C(=O)c2cocn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac04,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10427'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-04,O=C(O)C1=COC=N1,,,,,,,,,,,,,X20706?,fail,,,,
249,3,it3.0_AM-02_Imid-04_CA-05,PHIP-s3-am2-CA05,Cc1cc(C)c(C(=O)N2CCN(C(=O)NCC3CC3)CC2)c(C)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac05,N/D,76%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10428'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-05,CC(C=C(C)C=C1C)=C1C(O)=O,,,,,,,,,,,,,X20706?,success,,,,
250,3,it3.0_AM-02_Imid-04_CA-06,PHIP-s3-am2-CA06,O=C(C#Cc1ccccc1)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac06,N/D,79%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10429'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-06,O=C(O)C#CC1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
251,3,it3.0_AM-02_Imid-04_CA-07,PHIP-s3-am2-CA07,O=C(CCc1ccc(Cl)cc1)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac07,N/D,72%,success,no comment,no comment,['success'],['PHIPA-x10430'],['1.198'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-07,O=C(CCC1=CC=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,success,,,,
252,3,it3.0_AM-02_Imid-04_CA-08,PHIP-s3-am2-CA08,Cc1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)cc1N,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac08,N/D,0% (dimethyl product?),success,no comment,no comment,['Data processing fail'],['PHIPA-x10431'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-08,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,,X20706?,success,,,,
253,3,it3.0_AM-02_Imid-04_CA-09,PHIP-s3-am2-CA09,O=C(NCC1CC1)N1CCN(C(=O)c2ccc3cccnc3c2O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac09,N/D,54%,success,no comment,no comment,['success'],['PHIPA-x10432'],['1.36'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-09,O=C(C1=C(O)C2=C(C=C1)C=CC=N2)O,,,,,,,,,,,,,X20706?,success,,,,
254,3,it3.0_AM-02_Imid-04_CA-10,PHIP-s3-am2-CA10,Cn1nccc1C(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac10,N/D,100%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10433'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-10,O=C(O)C1=CC=NN1C,,,,,,,,,,,,,X20706?,success,,,,
255,3,it3.0_AM-02_Imid-04_CA-11,PHIP-s3-am2-CA11,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac11,N/D,40%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10434'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-11,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,,X20706?,success,,,,
256,3,it3.0_AM-02_Imid-04_CA-12,PHIP-s3-am2-CA12,Cn1cnc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac12,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10435'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-12,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
257,3,it3.0_AM-02_Imid-04_CA-13,PHIP-s3-am2-CA13,O=C(Cc1ccc(Cl)nc1)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac13,N/D,76% (poor ionisation),fail,no comment,no comment,['success'],['PHIPA-x10436'],['1.195'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-13,O=C(CC1=CN=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,fail,,,,
258,3,it3.0_AM-02_Imid-04_CA-14,PHIP-s3-am2-CA14,O=C(NCC1CC1)N1CCN(C(=O)c2ccccn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac14,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10437'],['1.15'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-14,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
259,3,it3.0_AM-02_Imid-04_CA-15,PHIP-s3-am2-CA15,O=C(CCc1ccccc1)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac15,N/D,63%,success,no comment,no comment,['success'],['PHIPA-x10438'],['1.207'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-15,O=C(O)CCC1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
260,3,it3.0_AM-02_Imid-04_CA-16,PHIP-s3-am2-CA16,COc1cc(CC(=O)N2CCN(C(=O)NCC3CC3)CC2)ccc1O,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac16,N/D,70%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10439'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-16,O=C(O)CC1=CC(OC)=C(O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
261,3,it3.0_AM-02_Imid-04_CA-17,PHIP-s3-am2-CA17,O=C(Cc1cc[cH-]c1)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac17,N/D,67%,success,no comment,no comment,['success'],['PHIPA-x10440'],['1.196'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-17,OC(CC1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,success,,,,
262,3,it3.0_AM-02_Imid-04_CA-18,PHIP-s3-am2-CA18,O=C(NCC1CC1)N1CCN(C(=O)c2ccc3ncsc3c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac18,N/D,55%,success,no comment,no comment,['success'],['PHIPA-x10441'],['1.200'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-18,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
263,3,it3.0_AM-02_Imid-04_CA-19,PHIP-s3-am2-CA19,O=C(NCC1CC1)N1CCN(C(=O)c2ccc3ncccc3c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac19,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10442'],['1.220'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-19,OC(C1=CC=C(N=CC=C2)C2=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
264,3,it3.0_AM-02_Imid-04_CA-20,PHIP-s3-am2-CA20,O=C(NCC1CC1)N1CCN(C(=O)c2ccccc2O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac20,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10443'],['1.207'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-20,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,,X20706?,fail,,,,
265,3,it3.0_AM-02_Imid-04_CA-21,PHIP-s3-am2-CA21,O=C(NCC1CC1)N1CCN(C(=O)c2ccccc2I)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac21,N/D,52%,success,no comment,no comment,['success'],['PHIPA-x10444'],['1.219'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-21,OC(C1=CC=CC=C1I)=O,,,,,,,,,,,,,X20706?,success,,,,
266,3,it3.0_AM-02_Imid-04_CA-22,PHIP-s3-am2-CA22,O=C(NCC1CC1)N1CCN(C(=O)C(C2CCCCC2)C2CCCCC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac22,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10445'],['1.32'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-22,O=C(O)C(C1CCCCC1)C2CCCCC2,,,,,,,,,,,,,X20706?,fail,,,,
267,3,it3.0_AM-02_Imid-04_CA-23,PHIP-s3-am2-CA23,O=C(NCC1CC1)N1CCN(C(=O)c2c[nH]cn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac23,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10446'],['1.15'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-23,O=C(C1=CNC=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
268,3,it3.0_AM-02_Imid-04_CA-24,PHIP-s3-am2-CA24,COc1cccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)c1N,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac24,N/D,10%,success,no comment,no comment,['success'],['PHIPA-x10447'],['1.197'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-24,O=C(C1=CC=CC(OC)=C1N)O,,,,,,,,,,,,,X20706?,success,,,,
269,3,it3.0_AM-02_Imid-04_CA-25,PHIP-s3-am2-CA25,COc1ccc(OC)c(CC(=O)N2CCN(C(=O)NCC3CC3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac25,N/D,36%,success,no comment,no comment,['success'],['PHIPA-x10448'],['1.199'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-25,O=C(CC1=CC(OC)=CC=C1OC)O,,,,,,,,,,,,,X20706?,success,,,,
270,3,it3.0_AM-02_Imid-04_CA-26,PHIP-s3-am2-CA26,O=C(NCC1CC1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac26,N/D,57%,success,no comment,no comment,['success'],['PHIPA-x10449'],['1.29'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-26,ClC1=C(C(O)=O)SC2=CC=CC=C21,,,,,,,,,,,,,X20706?,success,,,,
271,3,it3.0_AM-02_Imid-04_CA-27,PHIP-s3-am2-CA27,O=C(NCC1CC1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac27,N/D,44%,success,no comment,no comment,['success'],['PHIPA-x10450'],['1.20'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-27,OC(C(C1=CC=CC=C1)C2=CC=CC=C2)=O,,,,,,,,,,,,,X20706?,success,,,,
272,3,it3.0_AM-02_Imid-04_CA-28,PHIP-s3-am2-CA28,CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac28,N/D,78%,success,no comment,no comment,['success'],['PHIPA-x10451'],['1.24'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-28,OC(C1N(C(OC(C)(C)C)=O)CCCC1)=O,,,,,,,,,,,,,X20706?,success,,,,
273,3,it3.0_AM-02_Imid-04_CA-29,PHIP-s3-am2-CA29,Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac29,N/D,46%,success,no comment,no comment,['success'],['PHIPA-x10452'],['1.36'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-29,OC(C1=C(C)C=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
274,3,it3.0_AM-02_Imid-04_CA-30,PHIP-s3-am2-CA30,C#CCCCC(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac30,N/D,100%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10453'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-30,OC(CCCC#C)=O,,,,,,,,,,,,,X20706?,success,,,,
275,3,it3.0_AM-02_Imid-04_CA-31,PHIP-s3-am2-CA31,O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac31,N/D,41%,success,no comment,no comment,['success'],['PHIPA-x10454'],['1.179'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-31,OC(/C=C/C1=CC=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
276,3,it3.0_AM-02_Imid-04_CA-32,PHIP-s3-am2-CA32,COC(=O)CCCCCCC(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac32,N/D,73%,success,no comment,no comment,['success'],['PHIPA-x10455'],['1.30'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-32,OC(CCCCCCC(OC)=O)=O,,,,,,,,,,,,,X20706?,success,,,,
277,3,it3.0_AM-02_Imid-04_CA-33,PHIP-s3-am2-CA33,O=C(NCC1CC1)N1CCN(C(=O)c2cc[cH-]c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac33,N/D,No m/s of major peaks,fail,no comment,no comment,['success'],['PHIPA-x10456'],['1.29'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-33,OC(C1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,fail,,,,
278,3,it3.0_AM-02_Imid-04_CA-34,PHIP-s3-am2-CA34,Cc1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)cc1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac34,N/D,73%,success,no comment,no comment,['success'],['PHIPA-x10457'],['1.209'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-34,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
279,3,it3.0_AM-02_Imid-04_CA-35,PHIP-s3-am2-CA35,Cn1cccc1C(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac35,N/D,60%,success,no comment,no comment,['success'],['PHIPA-x10458'],['1.189'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-35,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
280,3,it3.0_AM-02_Imid-04_CA-36,PHIP-s3-am2-CA36,O=C(NCC1CC1)N1CCN(C(=O)c2cc(O)c3cccc(O)c3n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac36,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10459'],['1.207'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-36,OC1=CC(C(O)=O)=NC2=C1C=CC=C2O,,,,,,,,,,,,,X20706?,fail,,,,
281,3,it3.0_AM-02_Imid-04_CA-37,PHIP-s3-am2-CA37,COc1cccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac37,N/D,62%,success,no comment,no comment,['success'],['PHIPA-x10460'],['1.30'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-37,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
282,3,it3.0_AM-02_Imid-04_CA-38,PHIP-s3-am2-CA38,O=C(NCC1CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac38,N/D,45%,success,no comment,no comment,['success'],['PHIPA-x10461'],['1.28'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-38,O=C(O)C1=CC=C([N+]([O-])=O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
283,3,it3.0_AM-02_Imid-04_CA-39,PHIP-s3-am2-CA39,O=C(NCC1CC1)N1CCN(C(=O)c2ccc3cccc(O)c3n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac39,N/D,22%,success,no comment,no comment,['success'],['PHIPA-x10462'],['1.199'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-39,OC1=CC=CC(C=C2)=C1N=C2C(O)=O,,,,,,,,,,,,,X20706?,success,,,,
284,3,it3.0_AM-02_Imid-04_CA-40,PHIP-s3-am2-CA40,CCCCCCCCCCCCCCCC(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac40,N/D,Trace (weak),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10463'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-40,CCCCCCCCCCCCCCCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
285,3,it3.0_AM-02_Imid-04_CA-41,PHIP-s3-am2-CA41,O=C(NCC1CC1)N1CCN(C(=O)C2COc3ccccc3O2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac41,N/D,70%,success,no comment,no comment,['success'],['PHIPA-x10464'],['1.15'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-41,OC(C1COC2=CC=CC=C2O1)=O,,,,,,,,,,,,,X20706?,success,,,,
286,3,it3.0_AM-02_Imid-04_CA-42,PHIP-s3-am2-CA42,O=C(NCC1CC1)N1CCN(C(=O)c2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac42,N/D,84%,success,no comment,no comment,['success'],['PHIPA-x10465'],['1.43'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-42,OC(C1=CC=CS1)=O,,,,,,,,,,,,,X20706?,success,,,,
287,3,it3.0_AM-02_Imid-04_CA-43,PHIP-s3-am2-CA43,O=C(NCC1CC1)N1CCN(C(=O)c2cncc(Br)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac43,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10466'],['1.206'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-43,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
288,3,it3.0_AM-02_Imid-04_CA-44,PHIP-s3-am2-CA44,C=CCCC(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac44,N/D,73%,success,no comment,no comment,['success'],['PHIPA-x10467'],['1.26'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-44,OC(CCC=C)=O,,,,,,,,,,,,,X20706?,success,,,,
289,3,it3.0_AM-02_Imid-04_CA-45,PHIP-s3-am2-CA45,O=C(NCC1CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac45,N/D,0%,fail,no comment,no comment,['Failed - low resolution'],['PHIPA-x10468'],['4.27'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-45,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,,X20706?,fail,,,,
290,3,it3.0_AM-02_Imid-04_CA-46,PHIP-s3-am2-CA46,CC(O)C(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac46,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10469'],['1.44'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-46,OC(C(C)O)=O,,,,,,,,,,,,,X20706?,fail,,,,
291,3,it3.0_AM-02_Imid-04_CA-47,PHIP-s3-am2-CA47,CC(c1ccccc1)N1CC(C(=O)N2CCN(C(=O)NCC3CC3)CC2)CC1=O,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac47,N/D,80%,success,no comment,no comment,['success'],['PHIPA-x10470'],['1.38'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-47,OC(C1CC(N(C(C2=CC=CC=C2)C)C1)=O)=O,,,,,,,,,,,,,X20706?,success,,,,
292,3,it3.0_AM-02_Imid-04_CA-48,PHIP-s3-am2-CA48,O=C(CN1CCS(=O)(=O)CC1)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac48,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10471'],['1.48'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-48,OC(CN1CCS(CC1)(=O)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
293,3,it3.0_AM-02_Imid-04_CA-49,PHIP-s3-am2-CA49,CNC(=O)C1(C(=O)N2CCN(C(=O)NCC3CC3)CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac49,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10472'],['2.08'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-49,OC(C1(CC1)C(NC)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
294,3,it3.0_AM-02_Imid-04_CA-50,PHIP-s3-am2-CA50,O=C(NCC1CC1)N1CCN(C(=O)c2cccc(Cn3ccnc3)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac50,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10473'],['1.209'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-50,OC(C1=CC=CC(CN2C=CN=C2)=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
295,3,it3.0_AM-02_Imid-04_CA-51,PHIP-s3-am2-CA51,CNc1ccccc1C(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac51,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10474'],['1.29'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-51,CNC1=CC=CC=C1C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
296,3,it3.0_AM-02_Imid-04_CA-52,PHIP-s3-am2-CA52,Cc1cc(C)nc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac52,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10475'],['1.24'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-52,CC1=NC(C(O)=O)=CC(C)=C1,,,,,,,,,,,,,X20706?,fail,,,,
297,3,it3.0_AM-02_Imid-04_CA-53,PHIP-s3-am2-CA53,O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac53,N/D,71%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10476'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-53,O=C(O)C1=CC=CO1,,,,,,,,,,,,,X20706?,success,,,,
298,3,it3.0_AM-02_Imid-04_CA-54,PHIP-s3-am2-CA54,Cc1ccc(F)cc1C(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac54,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10477'],['1.198'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-54,FC1=CC=C(C)C(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
299,3,it3.0_AM-02_Imid-04_CA-55,PHIP-s3-am2-CA55,Cc1cccc(CC(=O)N2CCN(C(=O)NCC3CC3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac55,N/D,15%,success,no comment,no comment,['success'],['PHIPA-x10478'],['1.26'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-55,CC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
300,3,it3.0_AM-02_Imid-04_CA-56,PHIP-s3-am2-CA56,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac56,N/D,10%,success,no comment,no comment,['success'],['PHIPA-x10479'],['1.191'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-56,ClC1=C(Cl)C=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
301,3,it3.0_AM-02_Imid-04_CA-57,PHIP-s3-am2-CA57,Cc1ccccc1CC(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac57,N/D,No m/s of major peaks,fail,no comment,no comment,['success'],['PHIPA-x10480'],['1.205'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-57,CC(C=CC=C1)=C1CC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
302,3,it3.0_AM-02_Imid-04_CA-58,PHIP-s3-am2-CA58,O=C(NCC1CC1)N1CCN(C(=O)c2cccc(O)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac58,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10481'],['1.22'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-58,OC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
303,3,it3.0_AM-02_Imid-04_CA-59,PHIP-s3-am2-CA59,O=C(Cc1cccc(O)c1)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac59,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10482'],['1.195'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-59,OC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
304,3,it3.0_AM-02_Imid-04_CA-60,PHIP-s3-am2-CA60,COc1cccc(CC(=O)N2CCN(C(=O)NCC3CC3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac60,N/D,57%,success,no comment,no comment,['success'],['PHIPA-x10483'],['1.21'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-60,COC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
305,3,it3.0_AM-02_Imid-04_CA-61,PHIP-s3-am2-CA61,O=C(NCC1CC1)N1CCN(C(=O)C(F)(F)F)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac61,N/D,100%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10484'],[''],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-61,FC(F)(F)C(O)=O,,,,,,,,,,,,,X20706?,success,,,,
306,3,it3.0_AM-02_Imid-04_CA-62,PHIP-s3-am2-CA62,NCC(=O)N1CCN(C(=O)NCC2CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac62,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10485'],['1.202'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-62,NCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
307,3,it3.0_AM-02_Imid-04_CA-63,PHIP-s3-am2-CA63,O=C(NCC1CC1)N1CCN(C(=O)[C@@H]2CCCN2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac63,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10486'],['1.178'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-63,O=C(O)[C@H]1NCCC1,,,,,,,,,,,,,X20706?,fail,,,,
308,3,it3.0_AM-02_Imid-04_CA-64,PHIP-s3-am2-CA64,O=C(NCC1CC1)N1CCN(C(=O)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea2-ac64,N/D,62%,success,no comment,no comment,['success'],['PHIPA-x10487'],['1.199'],no,,,,,,AM-02,NCC1CC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-64,O=C(O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
309,3,it3.0_AM-03_Imid-04_CA-01,PHIP-s3-am3-CA01,O=C(Cc1c[nH]cn1)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac01,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10500'],[''],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-01,O=C(O)CC1=CNC=N1,,,,,,,,,,,,,X20706?,fail,,,,
310,3,it3.0_AM-03_Imid-04_CA-02,PHIP-s3-am3-CA02,O=C(NCc1cccs1)N1CCN(C(=O)c2scc3c2OCCO3)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac02,N/D,77%,success,no comment,no comment,['success'],['PHIPA-x10501'],['1.25'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-02,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,,X20706?,success,,,,
311,3,it3.0_AM-03_Imid-04_CA-03,PHIP-s3-am3-CA03,O=C(NCc1cccs1)N1CCN(C(=O)C(O)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac03,N/D,66%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10502'],[''],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-03,OC(C(O)=O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
312,3,it3.0_AM-03_Imid-04_CA-04,PHIP-s3-am3-CA04,O=C(NCc1cccs1)N1CCN(C(=O)c2cocn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac04,N/D,92%,success,no comment,no comment,['success'],['PHIPA-x10503'],['1.54'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-04,O=C(O)C1=COC=N1,,,,,,,,,,,,,X20706?,success,,,,
313,3,it3.0_AM-03_Imid-04_CA-05,PHIP-s3-am3-CA05,Cc1cc(C)c(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)c(C)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac05,N/D,Did not ionise,fail,no comment,no comment,['success'],['PHIPA-x10504'],['1.36'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-05,CC(C=C(C)C=C1C)=C1C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
314,3,it3.0_AM-03_Imid-04_CA-06,PHIP-s3-am3-CA06,O=C(C#Cc1ccccc1)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac06,N/D,81%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10505'],[''],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-06,O=C(O)C#CC1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
315,3,it3.0_AM-03_Imid-04_CA-07,PHIP-s3-am3-CA07,O=C(CCc1ccc(Cl)cc1)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac07,N/D,59%,success,no comment,no comment,['success'],['PHIPA-x10506'],['1.78'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-07,O=C(CCC1=CC=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,success,,,,
316,3,it3.0_AM-03_Imid-04_CA-08,PHIP-s3-am3-CA08,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)cc1N,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac08,N/D,0% (dimethyl product?),success,no comment,no comment,['success'],['PHIPA-x10507'],['1.49'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-08,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,,X20706?,success,,,,
317,3,it3.0_AM-03_Imid-04_CA-09,PHIP-s3-am3-CA09,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc3cccnc3c2O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac09,N/D,45%,success,no comment,no comment,['success'],['PHIPA-x10508'],['1.47'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-09,O=C(C1=C(O)C2=C(C=C1)C=CC=N2)O,,,,,,,,,,,,,X20706?,success,,,,
318,3,it3.0_AM-03_Imid-04_CA-10,PHIP-s3-am3-CA10,Cn1nccc1C(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac10,N/D,94%,success,no comment,no comment,['success'],['PHIPA-x10509'],['1.62'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-10,O=C(O)C1=CC=NN1C,,,,,,,,,,,,,X20706?,success,,,,
319,3,it3.0_AM-03_Imid-04_CA-11,PHIP-s3-am3-CA11,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac11,N/D,61%,success,no comment,no comment,['success'],['PHIPA-x10510'],['1.72'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-11,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,,X20706?,success,,,,
320,3,it3.0_AM-03_Imid-04_CA-12,PHIP-s3-am3-CA12,Cn1cnc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac12,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10511'],['1.61'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-12,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
321,3,it3.0_AM-03_Imid-04_CA-13,PHIP-s3-am3-CA13,O=C(Cc1ccc(Cl)nc1)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac13,N/D,78%,success,no comment,no comment,['success'],['PHIPA-x10512'],['1.66'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-13,O=C(CC1=CN=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,success,,,,
322,3,it3.0_AM-03_Imid-04_CA-14,PHIP-s3-am3-CA14,O=C(NCc1cccs1)N1CCN(C(=O)c2ccccn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac14,N/D,76%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10513'],[''],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-14,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
323,3,it3.0_AM-03_Imid-04_CA-15,PHIP-s3-am3-CA15,O=C(CCc1ccccc1)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac15,N/D,71%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10514'],[''],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-15,O=C(O)CCC1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
324,3,it3.0_AM-03_Imid-04_CA-16,PHIP-s3-am3-CA16,COc1cc(CC(=O)N2CCN(C(=O)NCc3cccs3)CC2)ccc1O,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac16,N/D,91%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10515'],[''],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-16,O=C(O)CC1=CC(OC)=C(O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
325,3,it3.0_AM-03_Imid-04_CA-17,PHIP-s3-am3-CA17,O=C(Cc1cc[cH-]c1)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac17,N/D,42%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10516'],[''],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-17,OC(CC1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,success,,,,
326,3,it3.0_AM-03_Imid-04_CA-18,PHIP-s3-am3-CA18,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc3ncsc3c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac18,N/D,63%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10517'],[''],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-18,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
327,3,it3.0_AM-03_Imid-04_CA-19,PHIP-s3-am3-CA19,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc3ncccc3c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac19,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10518'],['1.50'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-19,OC(C1=CC=C(N=CC=C2)C2=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
328,3,it3.0_AM-03_Imid-04_CA-20,PHIP-s3-am3-CA20,O=C(NCc1cccs1)N1CCN(C(=O)c2ccccc2O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac20,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10519'],[''],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-20,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,,X20706?,fail,,,,
329,3,it3.0_AM-03_Imid-04_CA-21,PHIP-s3-am3-CA21,O=C(NCc1cccs1)N1CCN(C(=O)c2ccccc2I)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac21,N/D,58%,success,no comment,no comment,['success'],['PHIPA-x10520'],['1.85'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-21,OC(C1=CC=CC=C1I)=O,,,,,,,,,,,,,X20706?,success,,,,
330,3,it3.0_AM-03_Imid-04_CA-22,PHIP-s3-am3-CA22,O=C(NCc1cccs1)N1CCN(C(=O)C(C2CCCCC2)C2CCCCC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac22,N/D,56%,success,no comment,no comment,['success'],['PHIPA-x10521'],['1.148'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-22,O=C(O)C(C1CCCCC1)C2CCCCC2,,,,,,,,,,,,,X20706?,success,,,,
331,3,it3.0_AM-03_Imid-04_CA-23,PHIP-s3-am3-CA23,O=C(NCc1cccs1)N1CCN(C(=O)c2c[nH]cn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac23,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10522'],['1.27'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-23,O=C(C1=CNC=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
332,3,it3.0_AM-03_Imid-04_CA-24,PHIP-s3-am3-CA24,COc1cccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)c1N,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac24,N/D,30% (methylated by-product),fail,no comment,no comment,['success'],['PHIPA-x10523'],['1.18'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-24,O=C(C1=CC=CC(OC)=C1N)O,,,,,,,,,,,,,X20706?,fail,,,,
333,3,it3.0_AM-03_Imid-04_CA-25,PHIP-s3-am3-CA25,COc1ccc(OC)c(CC(=O)N2CCN(C(=O)NCc3cccs3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac25,N/D,45%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10524'],[''],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-25,O=C(CC1=CC(OC)=CC=C1OC)O,,,,,,,,,,,,,X20706?,success,,,,
334,3,it3.0_AM-03_Imid-04_CA-26,PHIP-s3-am3-CA26,O=C(NCc1cccs1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac26,N/D,41%,success,no comment,no comment,['success'],['PHIPA-x10525'],['1.173'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-26,ClC1=C(C(O)=O)SC2=CC=CC=C21,,,,,,,,,,,,,X20706?,success,,,,
335,3,it3.0_AM-03_Imid-04_CA-27,PHIP-s3-am3-CA27,O=C(NCc1cccs1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac27,N/D,35%,success,no comment,no comment,['success'],['PHIPA-x10526'],['1.26'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-27,OC(C(C1=CC=CC=C1)C2=CC=CC=C2)=O,,,,,,,,,,,,,X20706?,success,,,,
336,3,it3.0_AM-03_Imid-04_CA-28,PHIP-s3-am3-CA28,CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac28,N/D,64%,success,no comment,no comment,['success'],['PHIPA-x10527'],['1.34'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-28,OC(C1N(C(OC(C)(C)C)=O)CCCC1)=O,,,,,,,,,,,,,X20706?,success,,,,
337,3,it3.0_AM-03_Imid-04_CA-29,PHIP-s3-am3-CA29,Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac29,N/D,55%,success,no comment,no comment,['success'],['PHIPA-x10528'],['1.29'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-29,OC(C1=C(C)C=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
338,3,it3.0_AM-03_Imid-04_CA-30,PHIP-s3-am3-CA30,C#CCCCC(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac30,N/D,88%,success,no comment,no comment,['success'],['PHIPA-x10529'],['1.36'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-30,OC(CCCC#C)=O,,,,,,,,,,,,,X20706?,success,,,,
339,3,it3.0_AM-03_Imid-04_CA-31,PHIP-s3-am3-CA31,O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac31,N/D,53%,success,no comment,no comment,['success'],['PHIPA-x10530'],['1.27'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-31,OC(/C=C/C1=CC=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
340,3,it3.0_AM-03_Imid-04_CA-32,PHIP-s3-am3-CA32,COC(=O)CCCCCCC(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac32,N/D,61%,success,no comment,no comment,['success'],['PHIPA-x10531'],['1.19'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-32,OC(CCCCCCC(OC)=O)=O,,,,,,,,,,,,,X20706?,success,,,,
341,3,it3.0_AM-03_Imid-04_CA-33,PHIP-s3-am3-CA33,O=C(NCc1cccs1)N1CCN(C(=O)c2cc[cH-]c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac33,N/D,30%,success,no comment,no comment,['success'],['PHIPA-x10532'],['1.28'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-33,OC(C1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,success,,,,
342,3,it3.0_AM-03_Imid-04_CA-34,PHIP-s3-am3-CA34,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)cc1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac34,N/D,53%,success,no comment,no comment,['success'],['PHIPA-x10533'],['1.35'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-34,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
343,3,it3.0_AM-03_Imid-04_CA-35,PHIP-s3-am3-CA35,Cn1cccc1C(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac35,N/D,68%,success,no comment,no comment,['success'],['PHIPA-x10534'],['1.42'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-35,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
344,3,it3.0_AM-03_Imid-04_CA-36,PHIP-s3-am3-CA36,O=C(NCc1cccs1)N1CCN(C(=O)c2cc(O)c3cccc(O)c3n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac36,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10535'],['1.190'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-36,OC1=CC(C(O)=O)=NC2=C1C=CC=C2O,,,,,,,,,,,,,X20706?,fail,,,,
345,3,it3.0_AM-03_Imid-04_CA-37,PHIP-s3-am3-CA37,COc1cccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac37,N/D,72%,success,no comment,no comment,"['success', 'success', 'success']","['PHIPA-x10536', 'PHIPA-x12273', 'PHIPA-x12274']","['1.39', '1.24', '1.09']",yes,['PHIPA-x10536'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound not merged'],AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-37,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
346,3,it3.0_AM-03_Imid-04_CA-38,PHIP-s3-am3-CA38,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac38,N/D,64%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10537'],[''],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-38,O=C(O)C1=CC=C([N+]([O-])=O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
347,3,it3.0_AM-03_Imid-04_CA-39,PHIP-s3-am3-CA39,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc3cccc(O)c3n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac39,N/D,Overlapping peaks (but messy),fail,no comment,no comment,['success'],['PHIPA-x10538'],['1.36'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-39,OC1=CC=CC(C=C2)=C1N=C2C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
348,3,it3.0_AM-03_Imid-04_CA-40,PHIP-s3-am3-CA40,CCCCCCCCCCCCCCCC(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac40,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10539'],['1.42'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-40,CCCCCCCCCCCCCCCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
349,3,it3.0_AM-03_Imid-04_CA-41,PHIP-s3-am3-CA41,O=C(NCc1cccs1)N1CCN(C(=O)C2COc3ccccc3O2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac41,N/D,70%,success,no comment,no comment,['success'],['PHIPA-x10540'],['1.25'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-41,OC(C1COC2=CC=CC=C2O1)=O,,,,,,,,,,,,,X20706?,success,,,,
350,3,it3.0_AM-03_Imid-04_CA-42,PHIP-s3-am3-CA42,O=C(NCc1cccs1)N1CCN(C(=O)c2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac42,N/D,81%,success,no comment,no comment,['success'],['PHIPA-x10541'],['1.26'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-42,OC(C1=CC=CS1)=O,,,,,,,,,,,,,X20706?,success,,,,
351,3,it3.0_AM-03_Imid-04_CA-43,PHIP-s3-am3-CA43,O=C(NCc1cccs1)N1CCN(C(=O)c2cncc(Br)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac43,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10542'],[''],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-43,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
352,3,it3.0_AM-03_Imid-04_CA-44,PHIP-s3-am3-CA44,C=CCCC(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac44,N/D,100%,success,no comment,no comment,['success'],['PHIPA-x10543'],['1.23'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-44,OC(CCC=C)=O,,,,,,,,,,,,,X20706?,success,,,,
353,3,it3.0_AM-03_Imid-04_CA-45,PHIP-s3-am3-CA45,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac45,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10544'],['1.26'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-45,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,,X20706?,fail,,,,
354,3,it3.0_AM-03_Imid-04_CA-46,PHIP-s3-am3-CA46,CC(O)C(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac46,N/D,42%,success,no comment,no comment,['success'],['PHIPA-x10545'],['1.36'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-46,OC(C(C)O)=O,,,,,,,,,,,,,X20706?,success,,,,
355,3,it3.0_AM-03_Imid-04_CA-47,PHIP-s3-am3-CA47,CC(c1ccccc1)N1CC(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)CC1=O,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac47,N/D,91%,success,no comment,no comment,['success'],['PHIPA-x10546'],['1.29'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-47,OC(C1CC(N(C(C2=CC=CC=C2)C)C1)=O)=O,,,,,,,,,,,,,X20706?,success,,,,
356,3,it3.0_AM-03_Imid-04_CA-48,PHIP-s3-am3-CA48,O=C(CN1CCS(=O)(=O)CC1)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac48,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10547'],['1.30'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-48,OC(CN1CCS(CC1)(=O)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
357,3,it3.0_AM-03_Imid-04_CA-49,PHIP-s3-am3-CA49,CNC(=O)C1(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac49,N/D,94%,success,no comment,no comment,['success'],['PHIPA-x10548'],['1.27'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-49,OC(C1(CC1)C(NC)=O)=O,,,,,,,,,,,,,X20706?,success,,,,
358,3,it3.0_AM-03_Imid-04_CA-50,PHIP-s3-am3-CA50,O=C(NCc1cccs1)N1CCN(C(=O)c2cccc(Cn3ccnc3)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac50,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10549'],['1.25'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-50,OC(C1=CC=CC(CN2C=CN=C2)=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
359,3,it3.0_AM-03_Imid-04_CA-51,PHIP-s3-am3-CA51,CNc1ccccc1C(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac51,N/D,42% (methylated product),fail,no comment,no comment,['success'],['PHIPA-x10550'],['1.30'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-51,CNC1=CC=CC=C1C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
360,3,it3.0_AM-03_Imid-04_CA-52,PHIP-s3-am3-CA52,Cc1cc(C)nc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac52,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10551'],['1.28'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-52,CC1=NC(C(O)=O)=CC(C)=C1,,,,,,,,,,,,,X20706?,fail,,,,
361,3,it3.0_AM-03_Imid-04_CA-53,PHIP-s3-am3-CA53,O=C(NCc1cccs1)N1CCN(C(=O)c2ccco2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac53,N/D,94%,success,no comment,no comment,['success'],['PHIPA-x10552'],['1.31'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-53,O=C(O)C1=CC=CO1,,,,,,,,,,,,,X20706?,success,,,,
362,3,it3.0_AM-03_Imid-04_CA-54,PHIP-s3-am3-CA54,Cc1ccc(F)cc1C(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac54,N/D,57%,success,no comment,no comment,['success'],['PHIPA-x10553'],['1.22'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-54,FC1=CC=C(C)C(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
363,3,it3.0_AM-03_Imid-04_CA-55,PHIP-s3-am3-CA55,Cc1cccc(CC(=O)N2CCN(C(=O)NCc3cccs3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac55,N/D,64%,success,no comment,no comment,['success'],['PHIPA-x10554'],['1.160'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-55,CC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
364,3,it3.0_AM-03_Imid-04_CA-56,PHIP-s3-am3-CA56,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac56,N/D,83%,success,no comment,no comment,['success'],['PHIPA-x10555'],['1.32'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-56,ClC1=C(Cl)C=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
365,3,it3.0_AM-03_Imid-04_CA-57,PHIP-s3-am3-CA57,Cc1ccccc1CC(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac57,N/D,58%,success,no comment,no comment,['success'],['PHIPA-x10556'],['1.38'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-57,CC(C=CC=C1)=C1CC(O)=O,,,,,,,,,,,,,X20706?,success,,,,
366,3,it3.0_AM-03_Imid-04_CA-58,PHIP-s3-am3-CA58,O=C(NCc1cccs1)N1CCN(C(=O)c2cccc(O)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac58,N/D,70%,success,no comment,no comment,['success'],['PHIPA-x10557'],['1.24'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-58,OC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
367,3,it3.0_AM-03_Imid-04_CA-59,PHIP-s3-am3-CA59,O=C(Cc1cccc(O)c1)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac59,N/D,87%,success,no comment,no comment,['success'],['PHIPA-x10558'],['1.25'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-59,OC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
368,3,it3.0_AM-03_Imid-04_CA-60,PHIP-s3-am3-CA60,COc1cccc(CC(=O)N2CCN(C(=O)NCc3cccs3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac60,N/D,54%,success,no comment,no comment,['success'],['PHIPA-x10559'],['1.57'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-60,COC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
369,3,it3.0_AM-03_Imid-04_CA-61,PHIP-s3-am3-CA61,O=C(NCc1cccs1)N1CCN(C(=O)C(F)(F)F)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac61,N/D,100%,success,no comment,no comment,['success'],['PHIPA-x10560'],['1.169'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-61,FC(F)(F)C(O)=O,,,,,,,,,,,,,X20706?,success,,,,
370,3,it3.0_AM-03_Imid-04_CA-62,PHIP-s3-am3-CA62,NCC(=O)N1CCN(C(=O)NCc2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac62,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10561'],['1.123'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-62,NCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
371,3,it3.0_AM-03_Imid-04_CA-63,PHIP-s3-am3-CA63,O=C(NCc1cccs1)N1CCN(C(=O)[C@@H]2CCCN2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac63,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10562'],['1.138'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-63,O=C(O)[C@H]1NCCC1,,,,,,,,,,,,,X20706?,fail,,,,
372,3,it3.0_AM-03_Imid-04_CA-64,PHIP-s3-am3-CA64,O=C(NCc1cccs1)N1CCN(C(=O)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea3-ac64,N/D,65%,success,no comment,no comment,['success'],['PHIPA-x10563'],['1.19'],no,,,,,,AM-03,NCC1=CC=CS1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-64,O=C(O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
373,3,it3.0_AM-04_Imid-04_CA-01,PHIP-s3-am4-CA01,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac01,N/D,Trace/Weak (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10566'],['1.40'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-01,O=C(O)CC1=CNC=N1,,,,,,,,,,,,,X20706?,fail,,,,
374,3,it3.0_AM-04_Imid-04_CA-02,PHIP-s3-am4-CA02,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3scc4c3OCCO4)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac02,N/D,72% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10567'],['1.23'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-02,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,,X20706?,fail,,,,
375,3,it3.0_AM-04_Imid-04_CA-03,PHIP-s3-am4-CA03,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)C(O)c3ccccc3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac03,N/D,Trace/Weak (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10568'],['1.46'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-03,OC(C(O)=O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
376,3,it3.0_AM-04_Imid-04_CA-04,PHIP-s3-am4-CA04,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3cocn3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac04,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10569'],['1.161'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-04,O=C(O)C1=COC=N1,,,,,,,,,,,,,X20706?,fail,,,,
377,3,it3.0_AM-04_Imid-04_CA-05,PHIP-s3-am4-CA05,Cc1cc(C)c(C(=O)N2CCN(C(=O)N(C)Cc3ccc(C)o3)CC2)c(C)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac05,N/D,84% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10570'],['1.28'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-05,CC(C=C(C)C=C1C)=C1C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
378,3,it3.0_AM-04_Imid-04_CA-06,PHIP-s3-am4-CA06,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)C#Cc3ccccc3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac06,N/D,75% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10571'],['1.39'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-06,O=C(O)C#CC1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
379,3,it3.0_AM-04_Imid-04_CA-07,PHIP-s3-am4-CA07,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac07,N/D,30% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10572'],['1.33'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-07,O=C(CCC1=CC=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,fail,,,,
380,3,it3.0_AM-04_Imid-04_CA-08,PHIP-s3-am4-CA08,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(C)c(N)c3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac08,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10573'],['1.139'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-08,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
381,3,it3.0_AM-04_Imid-04_CA-09,PHIP-s3-am4-CA09,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc4cccnc4c3O)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac09,N/D,100% but very weak (no product mass),success,no comment,no comment,['success'],['PHIPA-x10574'],['1.62'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-09,O=C(C1=C(O)C2=C(C=C1)C=CC=N2)O,,,,,,,,,,,,,X20706?,success,,,,
382,3,it3.0_AM-04_Imid-04_CA-10,PHIP-s3-am4-CA10,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccnn3C)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac10,N/D,Trace/Weak (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10575'],['1.38'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-10,O=C(O)C1=CC=NN1C,,,,,,,,,,,,,X20706?,fail,,,,
383,3,it3.0_AM-04_Imid-04_CA-11,PHIP-s3-am4-CA11,COc1cccc(OC)c1C(=O)N1CCN(C(=O)N(C)Cc2ccc(C)o2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac11,N/D,Messy (no product mass),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10576'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-11,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,,X20706?,fail,,,,
384,3,it3.0_AM-04_Imid-04_CA-12,PHIP-s3-am4-CA12,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3cn(C)cn3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac12,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10577'],['1.128'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-12,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
385,3,it3.0_AM-04_Imid-04_CA-13,PHIP-s3-am4-CA13,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)Cc3ccc(Cl)nc3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac13,N/D,Trace/Weak (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10578'],['1.24'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-13,O=C(CC1=CN=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,fail,,,,
386,3,it3.0_AM-04_Imid-04_CA-14,PHIP-s3-am4-CA14,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccccn3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac14,N/D,Trace/Weak (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10579'],['1.28'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-14,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
387,3,it3.0_AM-04_Imid-04_CA-15,PHIP-s3-am4-CA15,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac15,N/D,46% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10580'],['1.30'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-15,O=C(O)CCC1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
388,3,it3.0_AM-04_Imid-04_CA-16,PHIP-s3-am4-CA16,COc1cc(CC(=O)N2CCN(C(=O)N(C)Cc3ccc(C)o3)CC2)ccc1O,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac16,N/D,100% but very weak and no product mass,success,no comment,no comment,['success'],['PHIPA-x10581'],['1.58'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-16,O=C(O)CC1=CC(OC)=C(O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
389,3,it3.0_AM-04_Imid-04_CA-17,PHIP-s3-am4-CA17,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)Cc3cc[cH-]c3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac17,N/D,Messy (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10582'],['1.56'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-17,OC(CC1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,fail,,,,
390,3,it3.0_AM-04_Imid-04_CA-18,PHIP-s3-am4-CA18,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc4ncsc4c3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac18,N/D,68% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10583'],['1.22'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-18,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
391,3,it3.0_AM-04_Imid-04_CA-19,PHIP-s3-am4-CA19,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc4ncccc4c3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac19,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10584'],['1.21'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-19,OC(C1=CC=C(N=CC=C2)C2=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
392,3,it3.0_AM-04_Imid-04_CA-20,PHIP-s3-am4-CA20,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac20,N/D,Trace/Weak (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10585'],['1.47'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-20,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,,X20706?,fail,,,,
393,3,it3.0_AM-04_Imid-04_CA-21,PHIP-s3-am4-CA21,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccccc3I)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac21,N/D,Messy no product ion,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10586'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-21,OC(C1=CC=CC=C1I)=O,,,,,,,,,,,,,X20706?,fail,,,,
394,3,it3.0_AM-04_Imid-04_CA-22,PHIP-s3-am4-CA22,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)C(C3CCCCC3)C3CCCCC3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac22,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10587'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-22,O=C(O)C(C1CCCCC1)C2CCCCC2,,,,,,,,,,,,,X20706?,fail,,,,
395,3,it3.0_AM-04_Imid-04_CA-23,PHIP-s3-am4-CA23,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3c[nH]cn3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac23,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10588'],['1.125'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-23,O=C(C1=CNC=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
396,3,it3.0_AM-04_Imid-04_CA-24,PHIP-s3-am4-CA24,COc1cccc(C(=O)N2CCN(C(=O)N(C)Cc3ccc(C)o3)CC2)c1N,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac24,N/D,Messy no product ion,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10589'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-24,O=C(C1=CC=CC(OC)=C1N)O,,,,,,,,,,,,,X20706?,fail,,,,
397,3,it3.0_AM-04_Imid-04_CA-25,PHIP-s3-am4-CA25,COc1ccc(OC)c(CC(=O)N2CCN(C(=O)N(C)Cc3ccc(C)o3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac25,N/D,FAILED,fail,no comment,no comment,['success'],['PHIPA-x10590'],['1.31'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-25,O=C(CC1=CC(OC)=CC=C1OC)O,,,,,,,,,,,,,X20706?,fail,,,,
398,3,it3.0_AM-04_Imid-04_CA-26,PHIP-s3-am4-CA26,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac26,N/D,No m/s for product (mixture),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10591'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-26,ClC1=C(C(O)=O)SC2=CC=CC=C21,,,,,,,,,,,,,X20706?,fail,,,,
399,3,it3.0_AM-04_Imid-04_CA-27,PHIP-s3-am4-CA27,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac27,N/D,No m/s for product (mixture),fail,no comment,no comment,['success'],['PHIPA-x10592'],['1.67'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-27,OC(C(C1=CC=CC=C1)C2=CC=CC=C2)=O,,,,,,,,,,,,,X20706?,fail,,,,
400,3,it3.0_AM-04_Imid-04_CA-28,PHIP-s3-am4-CA28,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)C3CCCCN3C(=O)OC(C)(C)C)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac28,N/D,No m/s for product (mixture),fail,no comment,no comment,['success'],['PHIPA-x10593'],['1.20'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-28,OC(C1N(C(OC(C)(C)C)=O)CCCC1)=O,,,,,,,,,,,,,X20706?,fail,,,,
401,3,it3.0_AM-04_Imid-04_CA-29,PHIP-s3-am4-CA29,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac29,N/D,50% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10594'],['1.25'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-29,OC(C1=C(C)C=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
402,3,it3.0_AM-04_Imid-04_CA-30,PHIP-s3-am4-CA30,C#CCCCC(=O)N1CCN(C(=O)N(C)Cc2ccc(C)o2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac30,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10595'],['1.10'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-30,OC(CCCC#C)=O,,,,,,,,,,,,,X20706?,fail,,,,
403,3,it3.0_AM-04_Imid-04_CA-31,PHIP-s3-am4-CA31,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac31,N/D,36% (no product mass),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10596'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-31,OC(/C=C/C1=CC=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
404,3,it3.0_AM-04_Imid-04_CA-32,PHIP-s3-am4-CA32,COC(=O)CCCCCCC(=O)N1CCN(C(=O)N(C)Cc2ccc(C)o2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac32,N/D,Messy no product ion,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10597'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-32,OC(CCCCCCC(OC)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
405,3,it3.0_AM-04_Imid-04_CA-33,PHIP-s3-am4-CA33,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3cc[cH-]c3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac33,N/D,No m/s for product (mixture),fail,no comment,no comment,['success'],['PHIPA-x10598'],['1.17'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-33,OC(C1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,fail,,,,
406,3,it3.0_AM-04_Imid-04_CA-34,PHIP-s3-am4-CA34,Cc1ccc(C(=O)N2CCN(C(=O)N(C)Cc3ccc(C)o3)CC2)cc1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac34,N/D,No m/s for product (mixture),fail,no comment,no comment,['success'],['PHIPA-x10599'],['1.25'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-34,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
407,3,it3.0_AM-04_Imid-04_CA-35,PHIP-s3-am4-CA35,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3cccn3C)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac35,N/D,weak/no M/S for product,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10600'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-35,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
408,3,it3.0_AM-04_Imid-04_CA-36,PHIP-s3-am4-CA36,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3cc(O)c4cccc(O)c4n3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac36,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10601'],['1.37'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-36,OC1=CC(C(O)=O)=NC2=C1C=CC=C2O,,,,,,,,,,,,,X20706?,fail,,,,
409,3,it3.0_AM-04_Imid-04_CA-37,PHIP-s3-am4-CA37,COc1cccc(C(=O)N2CCN(C(=O)N(C)Cc3ccc(C)o3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac37,N/D,68% (no product mass),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10602'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-37,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
410,3,it3.0_AM-04_Imid-04_CA-38,PHIP-s3-am4-CA38,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac38,N/D,58% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10603'],['1.26'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-38,O=C(O)C1=CC=C([N+]([O-])=O)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
411,3,it3.0_AM-04_Imid-04_CA-39,PHIP-s3-am4-CA39,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc4cccc(O)c4n3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac39,N/D,32% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10604'],['1.66'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-39,OC1=CC=CC(C=C2)=C1N=C2C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
412,3,it3.0_AM-04_Imid-04_CA-40,PHIP-s3-am4-CA40,CCCCCCCCCCCCCCCC(=O)N1CCN(C(=O)N(C)Cc2ccc(C)o2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac40,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10605'],['1.18'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-40,CCCCCCCCCCCCCCCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
413,3,it3.0_AM-04_Imid-04_CA-41,PHIP-s3-am4-CA41,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac41,N/D,33% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10606'],['1.10'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-41,OC(C1COC2=CC=CC=C2O1)=O,,,,,,,,,,,,,X20706?,fail,,,,
414,3,it3.0_AM-04_Imid-04_CA-42,PHIP-s3-am4-CA42,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3cccs3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac42,N/D,No m/s for product (mixture),fail,no comment,no comment,['success'],['PHIPA-x10607'],['1.12'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-42,OC(C1=CC=CS1)=O,,,,,,,,,,,,,X20706?,fail,,,,
415,3,it3.0_AM-04_Imid-04_CA-43,PHIP-s3-am4-CA43,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3cncc(Br)c3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac43,N/D,weak/no M/S for product,fail,no comment,no comment,['success'],['PHIPA-x10608'],['1.94'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-43,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
416,3,it3.0_AM-04_Imid-04_CA-44,PHIP-s3-am4-CA44,C=CCCC(=O)N1CCN(C(=O)N(C)Cc2ccc(C)o2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac44,N/D,No m/s for product (mixture),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10609'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-44,OC(CCC=C)=O,,,,,,,,,,,,,X20706?,fail,,,,
417,3,it3.0_AM-04_Imid-04_CA-45,PHIP-s3-am4-CA45,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac45,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10610'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-45,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,,X20706?,fail,,,,
418,3,it3.0_AM-04_Imid-04_CA-46,PHIP-s3-am4-CA46,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)C(C)O)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac46,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10611'],['1.16'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-46,OC(C(C)O)=O,,,,,,,,,,,,,X20706?,fail,,,,
419,3,it3.0_AM-04_Imid-04_CA-47,PHIP-s3-am4-CA47,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)C3CC(=O)N(C(C)c4ccccc4)C3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac47,N/D,No m/s for product (mixture),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10612'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-47,OC(C1CC(N(C(C2=CC=CC=C2)C)C1)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
420,3,it3.0_AM-04_Imid-04_CA-48,PHIP-s3-am4-CA48,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac48,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10613'],['1.25'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-48,OC(CN1CCS(CC1)(=O)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
421,3,it3.0_AM-04_Imid-04_CA-49,PHIP-s3-am4-CA49,CNC(=O)C1(C(=O)N2CCN(C(=O)N(C)Cc3ccc(C)o3)CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac49,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10614'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-49,OC(C1(CC1)C(NC)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
422,3,it3.0_AM-04_Imid-04_CA-50,PHIP-s3-am4-CA50,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3cccc(Cn4ccnc4)c3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac50,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10615'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-50,OC(C1=CC=CC(CN2C=CN=C2)=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
423,3,it3.0_AM-04_Imid-04_CA-51,PHIP-s3-am4-CA51,CNc1ccccc1C(=O)N1CCN(C(=O)N(C)Cc2ccc(C)o2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac51,N/D,weak/no M/S for product,fail,no comment,no comment,['success'],['PHIPA-x10616'],['1.43'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-51,CNC1=CC=CC=C1C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
424,3,it3.0_AM-04_Imid-04_CA-52,PHIP-s3-am4-CA52,Cc1cc(C)nc(C(=O)N2CCN(C(=O)N(C)Cc3ccc(C)o3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac52,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10617'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-52,CC1=NC(C(O)=O)=CC(C)=C1,,,,,,,,,,,,,X20706?,fail,,,,
425,3,it3.0_AM-04_Imid-04_CA-53,PHIP-s3-am4-CA53,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccco3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac53,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10618'],['1.29'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-53,O=C(O)C1=CC=CO1,,,,,,,,,,,,,X20706?,fail,,,,
426,3,it3.0_AM-04_Imid-04_CA-54,PHIP-s3-am4-CA54,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3cc(F)ccc3C)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac54,N/D,Weak/No m/s for product (mixture),fail,no comment,no comment,['success'],['PHIPA-x10619'],['1.29'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-54,FC1=CC=C(C)C(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
427,3,it3.0_AM-04_Imid-04_CA-55,PHIP-s3-am4-CA55,Cc1cccc(CC(=O)N2CCN(C(=O)N(C)Cc3ccc(C)o3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac55,N/D,37% (no product mass),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10620'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-55,CC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
428,3,it3.0_AM-04_Imid-04_CA-56,PHIP-s3-am4-CA56,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac56,N/D,26% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10621'],['1.23'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-56,ClC1=C(Cl)C=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
429,3,it3.0_AM-04_Imid-04_CA-57,PHIP-s3-am4-CA57,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac57,N/D,No m/s for product (mixture),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10622'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-57,CC(C=CC=C1)=C1CC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
430,3,it3.0_AM-04_Imid-04_CA-58,PHIP-s3-am4-CA58,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac58,N/D,Weak/No m/s for product (mixture),fail,no comment,no comment,['success'],['PHIPA-x10623'],['1.150'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-58,OC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
431,3,it3.0_AM-04_Imid-04_CA-59,PHIP-s3-am4-CA59,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)Cc3cccc(O)c3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac59,N/D,Weak/No M/S for product,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10624'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-59,OC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
432,3,it3.0_AM-04_Imid-04_CA-60,PHIP-s3-am4-CA60,COc1cccc(CC(=O)N2CCN(C(=O)N(C)Cc3ccc(C)o3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac60,N/D,2 major peaks no Mass,fail,no comment,no comment,['success'],['PHIPA-x10625'],['1.42'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-60,COC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
433,3,it3.0_AM-04_Imid-04_CA-61,PHIP-s3-am4-CA61,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)C(F)(F)F)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac61,N/D,1 peak but weak and no product mass,fail,no comment,no comment,['success'],['PHIPA-x10626'],['1.66'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-61,FC(F)(F)C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
434,3,it3.0_AM-04_Imid-04_CA-62,PHIP-s3-am4-CA62,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)CN)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac62,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10627'],['1.37'],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-62,NCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
435,3,it3.0_AM-04_Imid-04_CA-63,PHIP-s3-am4-CA63,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)[C@@H]3CCCN3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac63,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10628'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-63,O=C(O)[C@H]1NCCC1,,,,,,,,,,,,,X20706?,fail,,,,
436,3,it3.0_AM-04_Imid-04_CA-64,PHIP-s3-am4-CA64,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccccc3)CC2)o1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea4-ac64,N/D,No m/s for product (mixture),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10629'],[''],no,,,,,,AM-04,CC1=CC=C(CNC)O1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-64,O=C(O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
437,3,it3.0_AM-05_Imid-04_CA-01,PHIP-s3-am5-CA01,Cc1cc(NC(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac01,N/D,weak (no mass detected),fail,no comment,no comment,['success'],['PHIPA-x10632'],['1.57'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-01,O=C(O)CC1=CNC=N1,,,,,,,,,,,,,X20706?,fail,,,,
438,3,it3.0_AM-05_Imid-04_CA-02,PHIP-s3-am5-CA02,Cc1cc(NC(=O)N2CCN(C(=O)c3scc4c3OCCO4)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac02,N/D,Mixture (no ionisation),fail,no comment,no comment,['success'],['PHIPA-x10633'],['1.43'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-02,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,,X20706?,fail,,,,
439,3,it3.0_AM-05_Imid-04_CA-03,PHIP-s3-am5-CA03,Cc1cc(NC(=O)N2CCN(C(=O)C(O)c3ccccc3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac03,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10634'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-03,OC(C(O)=O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
440,3,it3.0_AM-05_Imid-04_CA-04,PHIP-s3-am5-CA04,Cc1cc(NC(=O)N2CCN(C(=O)c3cocn3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac04,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10635'],['1.23'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-04,O=C(O)C1=COC=N1,,,,,,,,,,,,,X20706?,fail,,,,
441,3,it3.0_AM-05_Imid-04_CA-05,PHIP-s3-am5-CA05,Cc1cc(C)c(C(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)c(C)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac05,N/D,89% (no product ion),fail,no comment,no comment,['success'],['PHIPA-x10636'],['1.44'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-05,CC(C=C(C)C=C1C)=C1C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
442,3,it3.0_AM-05_Imid-04_CA-06,PHIP-s3-am5-CA06,Cc1cc(NC(=O)N2CCN(C(=O)C#Cc3ccccc3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac06,N/D,67% (no product ion),fail,no comment,no comment,['success'],['PHIPA-x10637'],['1.124'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-06,O=C(O)C#CC1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
443,3,it3.0_AM-05_Imid-04_CA-07,PHIP-s3-am5-CA07,Cc1cc(NC(=O)N2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac07,N/D,weak (no mass detected),fail,no comment,no comment,['success'],['PHIPA-x10638'],['1.72'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-07,O=C(CCC1=CC=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,fail,,,,
444,3,it3.0_AM-05_Imid-04_CA-08,PHIP-s3-am5-CA08,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(C)c(N)c3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac08,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10639'],['1.63'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-08,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
445,3,it3.0_AM-05_Imid-04_CA-09,PHIP-s3-am5-CA09,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc4cccnc4c3O)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac09,N/D,weak (no mass detected),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10640'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-09,O=C(C1=C(O)C2=C(C=C1)C=CC=N2)O,,,,,,,,,,,,,X20706?,fail,,,,
446,3,it3.0_AM-05_Imid-04_CA-10,PHIP-s3-am5-CA10,Cc1cc(NC(=O)N2CCN(C(=O)c3ccnn3C)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac10,N/D,63% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10641'],['1.24'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-10,O=C(O)C1=CC=NN1C,,,,,,,,,,,,,X20706?,fail,,,,
447,3,it3.0_AM-05_Imid-04_CA-11,PHIP-s3-am5-CA11,COc1cccc(OC)c1C(=O)N1CCN(C(=O)Nc2cc(C)on2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac11,N/D,57% (no mass ion),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10642'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-11,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,,X20706?,fail,,,,
448,3,it3.0_AM-05_Imid-04_CA-12,PHIP-s3-am5-CA12,Cc1cc(NC(=O)N2CCN(C(=O)c3cn(C)cn3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac12,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10643'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-12,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
449,3,it3.0_AM-05_Imid-04_CA-13,PHIP-s3-am5-CA13,Cc1cc(NC(=O)N2CCN(C(=O)Cc3ccc(Cl)nc3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac13,N/D,weak (no mass detected),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10644'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-13,O=C(CC1=CN=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,fail,,,,
450,3,it3.0_AM-05_Imid-04_CA-14,PHIP-s3-am5-CA14,Cc1cc(NC(=O)N2CCN(C(=O)c3ccccn3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac14,N/D,weak (no mass detected),fail,no comment,no comment,['success'],['PHIPA-x10645'],['1.37'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-14,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
451,3,it3.0_AM-05_Imid-04_CA-15,PHIP-s3-am5-CA15,Cc1cc(NC(=O)N2CCN(C(=O)CCc3ccccc3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac15,N/D,72% (no product ms),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10646'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-15,O=C(O)CCC1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
452,3,it3.0_AM-05_Imid-04_CA-16,PHIP-s3-am5-CA16,COc1cc(CC(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)ccc1O,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac16,N/D,No m/s of major peaks (mixture),fail,no comment,no comment,['success'],['PHIPA-x10647'],['1.37'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-16,O=C(O)CC1=CC(OC)=C(O)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
453,3,it3.0_AM-05_Imid-04_CA-17,PHIP-s3-am5-CA17,Cc1cc(NC(=O)N2CCN(C(=O)Cc3cc[cH-]c3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac17,N/D,weak (no mass detected),fail,no comment,no comment,['success'],['PHIPA-x10648'],['1.51'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-17,OC(CC1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,fail,,,,
454,3,it3.0_AM-05_Imid-04_CA-18,PHIP-s3-am5-CA18,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc4ncsc4c3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac18,N/D,59% (no product ms),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10649'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-18,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
455,3,it3.0_AM-05_Imid-04_CA-19,PHIP-s3-am5-CA19,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc4ncccc4c3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac19,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10650'],['1.16'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-19,OC(C1=CC=C(N=CC=C2)C2=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
456,3,it3.0_AM-05_Imid-04_CA-20,PHIP-s3-am5-CA20,Cc1cc(NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac20,N/D,weak (no ion),fail,no comment,no comment,['success'],['PHIPA-x10651'],['1.44'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-20,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,,X20706?,fail,,,,
457,3,it3.0_AM-05_Imid-04_CA-21,PHIP-s3-am5-CA21,Cc1cc(NC(=O)N2CCN(C(=O)c3ccccc3I)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac21,N/D,63% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10652'],['1.36'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-21,OC(C1=CC=CC=C1I)=O,,,,,,,,,,,,,X20706?,fail,,,,
458,3,it3.0_AM-05_Imid-04_CA-22,PHIP-s3-am5-CA22,Cc1cc(NC(=O)N2CCN(C(=O)C(C3CCCCC3)C3CCCCC3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac22,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10653'],['1.20'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-22,O=C(O)C(C1CCCCC1)C2CCCCC2,,,,,,,,,,,,,X20706?,fail,,,,
459,3,it3.0_AM-05_Imid-04_CA-23,PHIP-s3-am5-CA23,Cc1cc(NC(=O)N2CCN(C(=O)c3c[nH]cn3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac23,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10654'],['1.46'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-23,O=C(C1=CNC=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
460,3,it3.0_AM-05_Imid-04_CA-24,PHIP-s3-am5-CA24,COc1cccc(C(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)c1N,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac24,N/D,weak (no mass detected),fail,no comment,no comment,['success'],['PHIPA-x10655'],['1.32'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-24,O=C(C1=CC=CC(OC)=C1N)O,,,,,,,,,,,,,X20706?,fail,,,,
461,3,it3.0_AM-05_Imid-04_CA-25,PHIP-s3-am5-CA25,COc1ccc(OC)c(CC(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac25,N/D,71% (no product mass),fail,no comment,no comment,['success'],['PHIPA-x10656'],['2.29'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-25,O=C(CC1=CC(OC)=CC=C1OC)O,,,,,,,,,,,,,X20706?,fail,,,,
462,3,it3.0_AM-05_Imid-04_CA-26,PHIP-s3-am5-CA26,Cc1cc(NC(=O)N2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac26,N/D,Messy - no product ionisation,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10657'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-26,ClC1=C(C(O)=O)SC2=CC=CC=C21,,,,,,,,,,,,,X20706?,fail,,,,
463,3,it3.0_AM-05_Imid-04_CA-27,PHIP-s3-am5-CA27,Cc1cc(NC(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac27,N/D,85% (no product ion),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10658'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-27,OC(C(C1=CC=CC=C1)C2=CC=CC=C2)=O,,,,,,,,,,,,,X20706?,fail,,,,
464,3,it3.0_AM-05_Imid-04_CA-28,PHIP-s3-am5-CA28,Cc1cc(NC(=O)N2CCN(C(=O)C3CCCCN3C(=O)OC(C)(C)C)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac28,N/D,weak (no mass detected),fail,no comment,no comment,['success'],['PHIPA-x10659'],['1.137'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-28,OC(C1N(C(OC(C)(C)C)=O)CCCC1)=O,,,,,,,,,,,,,X20706?,fail,,,,
465,3,it3.0_AM-05_Imid-04_CA-29,PHIP-s3-am5-CA29,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac29,N/D,68% (no product ion),fail,no comment,no comment,['success'],['PHIPA-x10660'],['1.16'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-29,OC(C1=C(C)C=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
466,3,it3.0_AM-05_Imid-04_CA-30,PHIP-s3-am5-CA30,C#CCCCC(=O)N1CCN(C(=O)Nc2cc(C)on2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac30,N/D,weak (no mass detected),fail,no comment,no comment,['success'],['PHIPA-x10661'],['1.78'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-30,OC(CCCC#C)=O,,,,,,,,,,,,,X20706?,fail,,,,
467,3,it3.0_AM-05_Imid-04_CA-31,PHIP-s3-am5-CA31,Cc1cc(NC(=O)N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac31,N/D,FAILED,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10662'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-31,OC(/C=C/C1=CC=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
468,3,it3.0_AM-05_Imid-04_CA-32,PHIP-s3-am5-CA32,COC(=O)CCCCCCC(=O)N1CCN(C(=O)Nc2cc(C)on2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac32,N/D,No m/s of major peak (mixture),fail,no comment,no comment,['success'],['PHIPA-x10663'],['1.23'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-32,OC(CCCCCCC(OC)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
469,3,it3.0_AM-05_Imid-04_CA-33,PHIP-s3-am5-CA33,Cc1cc(NC(=O)N2CCN(C(=O)c3cc[cH-]c3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac33,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10664'],['1.44'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-33,OC(C1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,fail,,,,
470,3,it3.0_AM-05_Imid-04_CA-34,PHIP-s3-am5-CA34,Cc1ccc(C(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)cc1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac34,N/D,47% (no mass),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10665'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-34,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
471,3,it3.0_AM-05_Imid-04_CA-35,PHIP-s3-am5-CA35,Cc1cc(NC(=O)N2CCN(C(=O)c3cccn3C)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac35,N/D,57% (no mass),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10666'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-35,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
472,3,it3.0_AM-05_Imid-04_CA-36,PHIP-s3-am5-CA36,Cc1cc(NC(=O)N2CCN(C(=O)c3cc(O)c4cccc(O)c4n3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac36,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10667'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-36,OC1=CC(C(O)=O)=NC2=C1C=CC=C2O,,,,,,,,,,,,,X20706?,fail,,,,
473,3,it3.0_AM-05_Imid-04_CA-37,PHIP-s3-am5-CA37,COc1cccc(C(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac37,N/D,61% (no mass),fail,no comment,no comment,['success'],['PHIPA-x10668'],['2.91'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-37,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
474,3,it3.0_AM-05_Imid-04_CA-38,PHIP-s3-am5-CA38,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac38,N/D,No m/s of major peak (mixture),fail,no comment,no comment,['success'],['PHIPA-x10669'],['1.33'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-38,O=C(O)C1=CC=C([N+]([O-])=O)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
475,3,it3.0_AM-05_Imid-04_CA-39,PHIP-s3-am5-CA39,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc4cccc(O)c4n3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac39,N/D,48% (strong peak but no mass),fail,no comment,no comment,['success'],['PHIPA-x10670'],['1.33'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-39,OC1=CC=CC(C=C2)=C1N=C2C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
476,3,it3.0_AM-05_Imid-04_CA-40,PHIP-s3-am5-CA40,CCCCCCCCCCCCCCCC(=O)N1CCN(C(=O)Nc2cc(C)on2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac40,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10671'],['1.21'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-40,CCCCCCCCCCCCCCCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
477,3,it3.0_AM-05_Imid-04_CA-41,PHIP-s3-am5-CA41,Cc1cc(NC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac41,N/D,75% (strong peak no mass),fail,no comment,no comment,['success'],['PHIPA-x10672'],['1.20'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-41,OC(C1COC2=CC=CC=C2O1)=O,,,,,,,,,,,,,X20706?,fail,,,,
478,3,it3.0_AM-05_Imid-04_CA-42,PHIP-s3-am5-CA42,Cc1cc(NC(=O)N2CCN(C(=O)c3cccs3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac42,N/D,87% (strong peak no mass),fail,no comment,no comment,['success'],['PHIPA-x10673'],['1.42'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-42,OC(C1=CC=CS1)=O,,,,,,,,,,,,,X20706?,fail,,,,
479,3,it3.0_AM-05_Imid-04_CA-43,PHIP-s3-am5-CA43,Cc1cc(NC(=O)N2CCN(C(=O)c3cncc(Br)c3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac43,N/D,weak (no mass detected),fail,no comment,no comment,['success'],['PHIPA-x10674'],['1.56'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-43,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
480,3,it3.0_AM-05_Imid-04_CA-44,PHIP-s3-am5-CA44,C=CCCC(=O)N1CCN(C(=O)Nc2cc(C)on2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac44,N/D,No m/s of major peaks (mixture),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10675'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-44,OC(CCC=C)=O,,,,,,,,,,,,,X20706?,fail,,,,
481,3,it3.0_AM-05_Imid-04_CA-45,PHIP-s3-am5-CA45,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac45,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10676'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-45,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,,X20706?,fail,,,,
482,3,it3.0_AM-05_Imid-04_CA-46,PHIP-s3-am5-CA46,Cc1cc(NC(=O)N2CCN(C(=O)C(C)O)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac46,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10677'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-46,OC(C(C)O)=O,,,,,,,,,,,,,X20706?,fail,,,,
483,3,it3.0_AM-05_Imid-04_CA-47,PHIP-s3-am5-CA47,Cc1cc(NC(=O)N2CCN(C(=O)C3CC(=O)N(C(C)c4ccccc4)C3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac47,N/D,70% (strong peak no mass),fail,no comment,no comment,['success'],['PHIPA-x10678'],['1.61'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-47,OC(C1CC(N(C(C2=CC=CC=C2)C)C1)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
484,3,it3.0_AM-05_Imid-04_CA-48,PHIP-s3-am5-CA48,Cc1cc(NC(=O)N2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac48,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10679'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-48,OC(CN1CCS(CC1)(=O)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
485,3,it3.0_AM-05_Imid-04_CA-49,PHIP-s3-am5-CA49,CNC(=O)C1(C(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac49,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10680'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-49,OC(C1(CC1)C(NC)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
486,3,it3.0_AM-05_Imid-04_CA-50,PHIP-s3-am5-CA50,Cc1cc(NC(=O)N2CCN(C(=O)c3cccc(Cn4ccnc4)c3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac50,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10681'],['1.24'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-50,OC(C1=CC=CC(CN2C=CN=C2)=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
487,3,it3.0_AM-05_Imid-04_CA-51,PHIP-s3-am5-CA51,CNc1ccccc1C(=O)N1CCN(C(=O)Nc2cc(C)on2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac51,N/D,56% (no mass),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10682'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-51,CNC1=CC=CC=C1C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
488,3,it3.0_AM-05_Imid-04_CA-52,PHIP-s3-am5-CA52,Cc1cc(C)nc(C(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac52,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10683'],['1.41'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-52,CC1=NC(C(O)=O)=CC(C)=C1,,,,,,,,,,,,,X20706?,fail,,,,
489,3,it3.0_AM-05_Imid-04_CA-53,PHIP-s3-am5-CA53,Cc1cc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac53,N/D,No m/s of major peaks (overlapping),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10684'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-53,O=C(O)C1=CC=CO1,,,,,,,,,,,,,X20706?,fail,,,,
490,3,it3.0_AM-05_Imid-04_CA-54,PHIP-s3-am5-CA54,Cc1cc(NC(=O)N2CCN(C(=O)c3cc(F)ccc3C)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac54,N/D,weak (no mass detected),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10685'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-54,FC1=CC=C(C)C(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
491,3,it3.0_AM-05_Imid-04_CA-55,PHIP-s3-am5-CA55,Cc1cccc(CC(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac55,N/D,63% (strong peak no mass),fail,no comment,no comment,['success'],['PHIPA-x10686'],['1.144'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-55,CC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
492,3,it3.0_AM-05_Imid-04_CA-56,PHIP-s3-am5-CA56,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac56,N/D,No m/s of major peaks (mixture),fail,no comment,no comment,['success'],['PHIPA-x10687'],['1.31'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-56,ClC1=C(Cl)C=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
493,3,it3.0_AM-05_Imid-04_CA-57,PHIP-s3-am5-CA57,Cc1cc(NC(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac57,N/D,weak (no mass detected),fail,no comment,no comment,['success'],['PHIPA-x10688'],['1.25'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-57,CC(C=CC=C1)=C1CC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
494,3,it3.0_AM-05_Imid-04_CA-58,PHIP-s3-am5-CA58,Cc1cc(NC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac58,N/D,weak (no mass detected),fail,no comment,no comment,['success'],['PHIPA-x10689'],['1.45'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-58,OC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
495,3,it3.0_AM-05_Imid-04_CA-59,PHIP-s3-am5-CA59,Cc1cc(NC(=O)N2CCN(C(=O)Cc3cccc(O)c3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac59,N/D,weak (no mass detected),fail,no comment,no comment,['success'],['PHIPA-x10690'],['1.195'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-59,OC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
496,3,it3.0_AM-05_Imid-04_CA-60,PHIP-s3-am5-CA60,COc1cccc(CC(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac60,N/D,72% (no mass detected),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10691'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-60,COC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
497,3,it3.0_AM-05_Imid-04_CA-61,PHIP-s3-am5-CA61,Cc1cc(NC(=O)N2CCN(C(=O)C(F)(F)F)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac61,N/D,weak (no mass detected),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10692'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-61,FC(F)(F)C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
498,3,it3.0_AM-05_Imid-04_CA-62,PHIP-s3-am5-CA62,Cc1cc(NC(=O)N2CCN(C(=O)CN)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac62,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10693'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-62,NCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
499,3,it3.0_AM-05_Imid-04_CA-63,PHIP-s3-am5-CA63,Cc1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac63,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10694'],['1.30'],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-63,O=C(O)[C@H]1NCCC1,,,,,,,,,,,,,X20706?,fail,,,,
500,3,it3.0_AM-05_Imid-04_CA-64,PHIP-s3-am5-CA64,Cc1cc(NC(=O)N2CCN(C(=O)c3ccccc3)CC2)no1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea5-ac64,N/D,82% (strong peak no mass),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10695'],[''],no,,,,,,AM-05,NC1=NOC(C)=C1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-64,O=C(O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
501,3,it3.0_AM-06_Imid-04_CA-01,PHIP-s3-am6-CA01,O=C(Cc1c[nH]cn1)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac01,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10698'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-01,O=C(O)CC1=CNC=N1,,,,,,,,,,,,,X20706?,fail,,,,
502,3,it3.0_AM-06_Imid-04_CA-02,PHIP-s3-am6-CA02,O=C(NCC1CCCO1)N1CCN(C(=O)c2scc3c2OCCO3)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac02,N/D,64%,success,no comment,no comment,['success'],['PHIPA-x10699'],['1.79'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-02,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,,X20706?,success,,,,
503,3,it3.0_AM-06_Imid-04_CA-03,PHIP-s3-am6-CA03,O=C(NCC1CCCO1)N1CCN(C(=O)C(O)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac03,N/D,35%,success,no comment,no comment,['success'],['PHIPA-x10700'],['1.36'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-03,OC(C(O)=O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
504,3,it3.0_AM-06_Imid-04_CA-04,PHIP-s3-am6-CA04,O=C(NCC1CCCO1)N1CCN(C(=O)c2cocn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac04,N/D,In solvent front?,fail,no comment,no comment,['success'],['PHIPA-x10701'],['1.68'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-04,O=C(O)C1=COC=N1,,,,,,,,,,,,,X20706?,fail,,,,
505,3,it3.0_AM-06_Imid-04_CA-05,PHIP-s3-am6-CA05,Cc1cc(C)c(C(=O)N2CCN(C(=O)NCC3CCCO3)CC2)c(C)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac05,N/D,100% (did not ionise),success,no comment,no comment,['success'],['PHIPA-x10702'],['1.25'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-05,CC(C=C(C)C=C1C)=C1C(O)=O,,,,,,,,,,,,,X20706?,success,,,,
506,3,it3.0_AM-06_Imid-04_CA-06,PHIP-s3-am6-CA06,O=C(C#Cc1ccccc1)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac06,N/D,91%,success,no comment,no comment,['success'],['PHIPA-x10703'],['1.22'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-06,O=C(O)C#CC1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
507,3,it3.0_AM-06_Imid-04_CA-07,PHIP-s3-am6-CA07,O=C(CCc1ccc(Cl)cc1)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac07,N/D,57%,success,no comment,no comment,['success'],['PHIPA-x10704'],['1.145'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-07,O=C(CCC1=CC=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,success,,,,
508,3,it3.0_AM-06_Imid-04_CA-08,PHIP-s3-am6-CA08,Cc1ccc(C(=O)N2CCN(C(=O)NCC3CCCO3)CC2)cc1N,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac08,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10705'],['1.18'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-08,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
509,3,it3.0_AM-06_Imid-04_CA-09,PHIP-s3-am6-CA09,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc3cccnc3c2O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac09,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10706'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-09,O=C(C1=C(O)C2=C(C=C1)C=CC=N2)O,,,,,,,,,,,,,X20706?,fail,,,,
510,3,it3.0_AM-06_Imid-04_CA-10,PHIP-s3-am6-CA10,Cn1nccc1C(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac10,N/D,100%,success,no comment,no comment,['success'],['PHIPA-x10707'],['1.20'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-10,O=C(O)C1=CC=NN1C,,,,,,,,,,,,,X20706?,success,,,,
511,3,it3.0_AM-06_Imid-04_CA-11,PHIP-s3-am6-CA11,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac11,N/D,50%,success,no comment,no comment,['success'],['PHIPA-x10708'],['1.32'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-11,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,,X20706?,success,,,,
512,3,it3.0_AM-06_Imid-04_CA-12,PHIP-s3-am6-CA12,Cn1cnc(C(=O)N2CCN(C(=O)NCC3CCCO3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac12,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10709'],['1.20'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-12,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
513,3,it3.0_AM-06_Imid-04_CA-13,PHIP-s3-am6-CA13,O=C(Cc1ccc(Cl)nc1)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac13,N/D,79%,success,no comment,no comment,['success'],['PHIPA-x10710'],['1.61'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-13,O=C(CC1=CN=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,success,,,,
514,3,it3.0_AM-06_Imid-04_CA-14,PHIP-s3-am6-CA14,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccccn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac14,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10711'],['1.31'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-14,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
515,3,it3.0_AM-06_Imid-04_CA-15,PHIP-s3-am6-CA15,O=C(CCc1ccccc1)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac15,N/D,73%,success,no comment,no comment,['success'],['PHIPA-x10712'],['1.18'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-15,O=C(O)CCC1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
516,3,it3.0_AM-06_Imid-04_CA-16,PHIP-s3-am6-CA16,COc1cc(CC(=O)N2CCN(C(=O)NCC3CCCO3)CC2)ccc1O,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac16,N/D,44%,success,no comment,no comment,['success'],['PHIPA-x10713'],['1.30'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-16,O=C(O)CC1=CC(OC)=C(O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
517,3,it3.0_AM-06_Imid-04_CA-17,PHIP-s3-am6-CA17,O=C(Cc1cc[cH-]c1)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac17,N/D,35%,success,no comment,no comment,['success'],['PHIPA-x10714'],['1.20'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-17,OC(CC1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,success,,,,
518,3,it3.0_AM-06_Imid-04_CA-18,PHIP-s3-am6-CA18,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc3ncsc3c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac18,N/D,44%,success,no comment,no comment,['success'],['PHIPA-x10715'],['1.24'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-18,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
519,3,it3.0_AM-06_Imid-04_CA-19,PHIP-s3-am6-CA19,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc3ncccc3c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac19,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10716'],['1.30'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-19,OC(C1=CC=C(N=CC=C2)C2=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
520,3,it3.0_AM-06_Imid-04_CA-20,PHIP-s3-am6-CA20,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccccc2O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac20,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10717'],['1.24'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-20,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,,X20706?,fail,,,,
521,3,it3.0_AM-06_Imid-04_CA-21,PHIP-s3-am6-CA21,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccccc2I)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac21,N/D,50%,success,no comment,no comment,['success'],['PHIPA-x10718'],['1.20'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-21,OC(C1=CC=CC=C1I)=O,,,,,,,,,,,,,X20706?,success,,,,
522,3,it3.0_AM-06_Imid-04_CA-22,PHIP-s3-am6-CA22,O=C(NCC1CCCO1)N1CCN(C(=O)C(C2CCCCC2)C2CCCCC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac22,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10719'],['1.44'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-22,O=C(O)C(C1CCCCC1)C2CCCCC2,,,,,,,,,,,,,X20706?,fail,,,,
523,3,it3.0_AM-06_Imid-04_CA-23,PHIP-s3-am6-CA23,O=C(NCC1CCCO1)N1CCN(C(=O)c2c[nH]cn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac23,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10720'],['1.34'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-23,O=C(C1=CNC=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
524,3,it3.0_AM-06_Imid-04_CA-24,PHIP-s3-am6-CA24,COc1cccc(C(=O)N2CCN(C(=O)NCC3CCCO3)CC2)c1N,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac24,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10721'],['1.61'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-24,O=C(C1=CC=CC(OC)=C1N)O,,,,,,,,,,,,,X20706?,fail,,,,
525,3,it3.0_AM-06_Imid-04_CA-25,PHIP-s3-am6-CA25,COc1ccc(OC)c(CC(=O)N2CCN(C(=O)NCC3CCCO3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac25,N/D,74%,success,no comment,no comment,['success'],['PHIPA-x10722'],['1.31'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-25,O=C(CC1=CC(OC)=CC=C1OC)O,,,,,,,,,,,,,X20706?,success,,,,
526,3,it3.0_AM-06_Imid-04_CA-26,PHIP-s3-am6-CA26,O=C(NCC1CCCO1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac26,N/D,25%,success,no comment,no comment,['success'],['PHIPA-x10723'],['2.80'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-26,ClC1=C(C(O)=O)SC2=CC=CC=C21,,,,,,,,,,,,,X20706?,success,,,,
527,3,it3.0_AM-06_Imid-04_CA-27,PHIP-s3-am6-CA27,O=C(NCC1CCCO1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac27,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10724'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-27,OC(C(C1=CC=CC=C1)C2=CC=CC=C2)=O,,,,,,,,,,,,,X20706?,fail,,,,
528,3,it3.0_AM-06_Imid-04_CA-28,PHIP-s3-am6-CA28,CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac28,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10725'],['1.73'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-28,OC(C1N(C(OC(C)(C)C)=O)CCCC1)=O,,,,,,,,,,,,,X20706?,fail,,,,
529,3,it3.0_AM-06_Imid-04_CA-29,PHIP-s3-am6-CA29,Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac29,N/D,41%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10726'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-29,OC(C1=C(C)C=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
530,3,it3.0_AM-06_Imid-04_CA-30,PHIP-s3-am6-CA30,C#CCCCC(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac30,N/D,100% (weak),success,no comment,no comment,['Data processing fail'],['PHIPA-x10727'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-30,OC(CCCC#C)=O,,,,,,,,,,,,,X20706?,success,,,,
531,3,it3.0_AM-06_Imid-04_CA-31,PHIP-s3-am6-CA31,O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac31,N/D,62%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10728'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-31,OC(/C=C/C1=CC=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
532,3,it3.0_AM-06_Imid-04_CA-32,PHIP-s3-am6-CA32,COC(=O)CCCCCCC(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac32,N/D,No m/s of major peak (mixture),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10729'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-32,OC(CCCCCCC(OC)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
533,3,it3.0_AM-06_Imid-04_CA-33,PHIP-s3-am6-CA33,O=C(NCC1CCCO1)N1CCN(C(=O)c2cc[cH-]c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac33,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10730'],['1.45'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-33,OC(C1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,fail,,,,
534,3,it3.0_AM-06_Imid-04_CA-34,PHIP-s3-am6-CA34,Cc1ccc(C(=O)N2CCN(C(=O)NCC3CCCO3)CC2)cc1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac34,N/D,49%,success,no comment,no comment,['success'],['PHIPA-x10731'],['1.36'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-34,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
535,3,it3.0_AM-06_Imid-04_CA-35,PHIP-s3-am6-CA35,Cn1cccc1C(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac35,N/D,67%,success,no comment,no comment,['success'],['PHIPA-x10732'],['1.23'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-35,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
536,3,it3.0_AM-06_Imid-04_CA-36,PHIP-s3-am6-CA36,O=C(NCC1CCCO1)N1CCN(C(=O)c2cc(O)c3cccc(O)c3n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac36,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10733'],['1.23'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-36,OC1=CC(C(O)=O)=NC2=C1C=CC=C2O,,,,,,,,,,,,,X20706?,fail,,,,
537,3,it3.0_AM-06_Imid-04_CA-37,PHIP-s3-am6-CA37,COc1cccc(C(=O)N2CCN(C(=O)NCC3CCCO3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac37,N/D,69%,success,no comment,no comment,['success'],['PHIPA-x10734'],['1.34'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-37,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
538,3,it3.0_AM-06_Imid-04_CA-38,PHIP-s3-am6-CA38,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac38,N/D,79%,success,no comment,no comment,['success'],['PHIPA-x10735'],['1.24'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-38,O=C(O)C1=CC=C([N+]([O-])=O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
539,3,it3.0_AM-06_Imid-04_CA-39,PHIP-s3-am6-CA39,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc3cccc(O)c3n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac39,N/D,60%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10736'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-39,OC1=CC=CC(C=C2)=C1N=C2C(O)=O,,,,,,,,,,,,,X20706?,success,,,,
540,3,it3.0_AM-06_Imid-04_CA-40,PHIP-s3-am6-CA40,CCCCCCCCCCCCCCCC(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac40,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10737'],['1.36'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-40,CCCCCCCCCCCCCCCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
541,3,it3.0_AM-06_Imid-04_CA-41,PHIP-s3-am6-CA41,O=C(NCC1CCCO1)N1CCN(C(=O)C2COc3ccccc3O2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac41,N/D,64%,success,no comment,no comment,['success'],['PHIPA-x10738'],['1.54'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-41,OC(C1COC2=CC=CC=C2O1)=O,,,,,,,,,,,,,X20706?,success,,,,
542,3,it3.0_AM-06_Imid-04_CA-42,PHIP-s3-am6-CA42,O=C(NCC1CCCO1)N1CCN(C(=O)c2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac42,N/D,97%,success,no comment,no comment,['success'],['PHIPA-x10739'],['2.43'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-42,OC(C1=CC=CS1)=O,,,,,,,,,,,,,X20706?,success,,,,
543,3,it3.0_AM-06_Imid-04_CA-43,PHIP-s3-am6-CA43,O=C(NCC1CCCO1)N1CCN(C(=O)c2cncc(Br)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac43,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10740'],['1.96'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-43,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
544,3,it3.0_AM-06_Imid-04_CA-44,PHIP-s3-am6-CA44,C=CCCC(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac44,N/D,77%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10741'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-44,OC(CCC=C)=O,,,,,,,,,,,,,X20706?,success,,,,
545,3,it3.0_AM-06_Imid-04_CA-45,PHIP-s3-am6-CA45,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac45,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10742'],['1.32'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-45,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,,X20706?,fail,,,,
546,3,it3.0_AM-06_Imid-04_CA-46,PHIP-s3-am6-CA46,CC(O)C(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac46,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10743'],['1.156'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-46,OC(C(C)O)=O,,,,,,,,,,,,,X20706?,fail,,,,
547,3,it3.0_AM-06_Imid-04_CA-47,PHIP-s3-am6-CA47,CC(c1ccccc1)N1CC(C(=O)N2CCN(C(=O)NCC3CCCO3)CC2)CC1=O,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac47,N/D,Overlapping peaks (but messy),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10744'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-47,OC(C1CC(N(C(C2=CC=CC=C2)C)C1)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
548,3,it3.0_AM-06_Imid-04_CA-48,PHIP-s3-am6-CA48,O=C(CN1CCS(=O)(=O)CC1)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac48,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10745'],['1.17'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-48,OC(CN1CCS(CC1)(=O)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
549,3,it3.0_AM-06_Imid-04_CA-49,PHIP-s3-am6-CA49,CNC(=O)C1(C(=O)N2CCN(C(=O)NCC3CCCO3)CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac49,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10746'],['1.21'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-49,OC(C1(CC1)C(NC)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
550,3,it3.0_AM-06_Imid-04_CA-50,PHIP-s3-am6-CA50,O=C(NCC1CCCO1)N1CCN(C(=O)c2cccc(Cn3ccnc3)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac50,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10747'],['1.24'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-50,OC(C1=CC=CC(CN2C=CN=C2)=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
551,3,it3.0_AM-06_Imid-04_CA-51,PHIP-s3-am6-CA51,CNc1ccccc1C(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac51,N/D,Weak signal - potentially methylated,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10748'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-51,CNC1=CC=CC=C1C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
552,3,it3.0_AM-06_Imid-04_CA-52,PHIP-s3-am6-CA52,Cc1cc(C)nc(C(=O)N2CCN(C(=O)NCC3CCCO3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac52,N/D,100% (weak),success,no comment,no comment,['success'],['PHIPA-x10749'],['1.138'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-52,CC1=NC(C(O)=O)=CC(C)=C1,,,,,,,,,,,,,X20706?,success,,,,
553,3,it3.0_AM-06_Imid-04_CA-53,PHIP-s3-am6-CA53,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccco2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac53,N/D,97%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10750'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-53,O=C(O)C1=CC=CO1,,,,,,,,,,,,,X20706?,success,,,,
554,3,it3.0_AM-06_Imid-04_CA-54,PHIP-s3-am6-CA54,Cc1ccc(F)cc1C(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac54,N/D,57%,success,no comment,no comment,['success'],['PHIPA-x10751'],['1.38'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-54,FC1=CC=C(C)C(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
555,3,it3.0_AM-06_Imid-04_CA-55,PHIP-s3-am6-CA55,Cc1cccc(CC(=O)N2CCN(C(=O)NCC3CCCO3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac55,N/D,51%,success,no comment,no comment,['success'],['PHIPA-x10752'],['1.58'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-55,CC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
556,3,it3.0_AM-06_Imid-04_CA-56,PHIP-s3-am6-CA56,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac56,N/D,70%,success,no comment,no comment,['success'],['PHIPA-x10753'],['1.210'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-56,ClC1=C(Cl)C=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
557,3,it3.0_AM-06_Imid-04_CA-57,PHIP-s3-am6-CA57,Cc1ccccc1CC(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac57,N/D,2 Overlapping peaks,fail,no comment,no comment,['success'],['PHIPA-x10754'],['1.20'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-57,CC(C=CC=C1)=C1CC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
558,3,it3.0_AM-06_Imid-04_CA-58,PHIP-s3-am6-CA58,O=C(NCC1CCCO1)N1CCN(C(=O)c2cccc(O)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac58,N/D,37%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10755'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-58,OC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
559,3,it3.0_AM-06_Imid-04_CA-59,PHIP-s3-am6-CA59,O=C(Cc1cccc(O)c1)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac59,N/D,79%,success,no comment,no comment,['success'],['PHIPA-x10756'],['1.34'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-59,OC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
560,3,it3.0_AM-06_Imid-04_CA-60,PHIP-s3-am6-CA60,COc1cccc(CC(=O)N2CCN(C(=O)NCC3CCCO3)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac60,N/D,97%,success,no comment,no comment,['success'],['PHIPA-x10757'],['1.22'],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-60,COC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
561,3,it3.0_AM-06_Imid-04_CA-61,PHIP-s3-am6-CA61,O=C(NCC1CCCO1)N1CCN(C(=O)C(F)(F)F)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac61,N/D,100% (weak),success,no comment,no comment,['Data processing fail'],['PHIPA-x10758'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-61,FC(F)(F)C(O)=O,,,,,,,,,,,,,X20706?,success,,,,
562,3,it3.0_AM-06_Imid-04_CA-62,PHIP-s3-am6-CA62,NCC(=O)N1CCN(C(=O)NCC2CCCO2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac62,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10759'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-62,NCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
563,3,it3.0_AM-06_Imid-04_CA-63,PHIP-s3-am6-CA63,O=C(NCC1CCCO1)N1CCN(C(=O)[C@@H]2CCCN2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac63,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10760'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-63,O=C(O)[C@H]1NCCC1,,,,,,,,,,,,,X20706?,fail,,,,
564,3,it3.0_AM-06_Imid-04_CA-64,PHIP-s3-am6-CA64,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea6-ac64,N/D,2 Overlapping peaks,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10761'],[''],no,,,,,,AM-06,NCC1OCCC1,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-64,O=C(O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
565,3,it3.0_AM-07_Imid-04_CA-01,PHIP-s3-am7-CA01,C=CCNC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac01,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10764'],['1.44'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-01,O=C(O)CC1=CNC=N1,,,,,,,,,,,,,X20706?,fail,,,,
566,3,it3.0_AM-07_Imid-04_CA-02,PHIP-s3-am7-CA02,C=CCNC(=O)N1CCN(C(=O)c2scc3c2OCCO3)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac02,N/D,64%,success,no comment,no comment,['success'],['PHIPA-x10765'],['1.33'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-02,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,,X20706?,success,,,,
567,3,it3.0_AM-07_Imid-04_CA-03,PHIP-s3-am7-CA03,C=CCNC(=O)N1CCN(C(=O)C(O)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac03,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10766'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-03,OC(C(O)=O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
568,3,it3.0_AM-07_Imid-04_CA-04,PHIP-s3-am7-CA04,C=CCNC(=O)N1CCN(C(=O)c2cocn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac04,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10767'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-04,O=C(O)C1=COC=N1,,,,,,,,,,,,,X20706?,fail,,,,
569,3,it3.0_AM-07_Imid-04_CA-05,PHIP-s3-am7-CA05,C=CCNC(=O)N1CCN(C(=O)c2c(C)cc(C)cc2C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac05,N/D,89%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10768'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-05,CC(C=C(C)C=C1C)=C1C(O)=O,,,,,,,,,,,,,X20706?,success,,,,
570,3,it3.0_AM-07_Imid-04_CA-06,PHIP-s3-am7-CA06,C=CCNC(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac06,N/D,92%,success,no comment,no comment,['success'],['PHIPA-x10769'],['1.146'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-06,O=C(O)C#CC1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
571,3,it3.0_AM-07_Imid-04_CA-07,PHIP-s3-am7-CA07,C=CCNC(=O)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac07,N/D,48%,success,no comment,no comment,['success'],['PHIPA-x10770'],['1.32'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-07,O=C(CCC1=CC=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,success,,,,
572,3,it3.0_AM-07_Imid-04_CA-08,PHIP-s3-am7-CA08,C=CCNC(=O)N1CCN(C(=O)c2ccc(C)c(N)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac08,N/D,0%,fail,no comment,no comment,['Failed - low resolution'],['PHIPA-x10771'],['4.05'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-08,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
573,3,it3.0_AM-07_Imid-04_CA-09,PHIP-s3-am7-CA09,C=CCNC(=O)N1CCN(C(=O)c2ccc3cccnc3c2O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac09,N/D,weak and poor m/s,fail,no comment,no comment,['success'],['PHIPA-x10772'],['1.32'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-09,O=C(C1=C(O)C2=C(C=C1)C=CC=N2)O,,,,,,,,,,,,,X20706?,fail,,,,
574,3,it3.0_AM-07_Imid-04_CA-10,PHIP-s3-am7-CA10,C=CCNC(=O)N1CCN(C(=O)c2ccnn2C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac10,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10773'],['1.48'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-10,O=C(O)C1=CC=NN1C,,,,,,,,,,,,,X20706?,fail,,,,
575,3,it3.0_AM-07_Imid-04_CA-11,PHIP-s3-am7-CA11,C=CCNC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac11,N/D,43%,success,no comment,no comment,['success'],['PHIPA-x10774'],['1.29'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-11,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,,X20706?,success,,,,
576,3,it3.0_AM-07_Imid-04_CA-12,PHIP-s3-am7-CA12,C=CCNC(=O)N1CCN(C(=O)c2cn(C)cn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac12,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10775'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-12,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
577,3,it3.0_AM-07_Imid-04_CA-13,PHIP-s3-am7-CA13,C=CCNC(=O)N1CCN(C(=O)Cc2ccc(Cl)nc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac13,N/D,51%,success,no comment,no comment,['success'],['PHIPA-x10776'],['1.24'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-13,O=C(CC1=CN=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,success,,,,
578,3,it3.0_AM-07_Imid-04_CA-14,PHIP-s3-am7-CA14,C=CCNC(=O)N1CCN(C(=O)c2ccccn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac14,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10777'],['1.35'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-14,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
579,3,it3.0_AM-07_Imid-04_CA-15,PHIP-s3-am7-CA15,C=CCNC(=O)N1CCN(C(=O)CCc2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac15,N/D,83%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10778'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-15,O=C(O)CCC1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
580,3,it3.0_AM-07_Imid-04_CA-16,PHIP-s3-am7-CA16,C=CCNC(=O)N1CCN(C(=O)Cc2ccc(O)c(OC)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac16,N/D,66%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10779'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-16,O=C(O)CC1=CC(OC)=C(O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
581,3,it3.0_AM-07_Imid-04_CA-17,PHIP-s3-am7-CA17,C=CCNC(=O)N1CCN(C(=O)Cc2cc[cH-]c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac17,N/D,16%,success,no comment,no comment,['success'],['PHIPA-x10780'],['1.30'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-17,OC(CC1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,success,,,,
582,3,it3.0_AM-07_Imid-04_CA-18,PHIP-s3-am7-CA18,C=CCNC(=O)N1CCN(C(=O)c2ccc3ncsc3c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac18,N/D,No m/s of major peak (mixture),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10781'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-18,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
583,3,it3.0_AM-07_Imid-04_CA-19,PHIP-s3-am7-CA19,C=CCNC(=O)N1CCN(C(=O)c2ccc3ncccc3c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac19,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10782'],['1.20'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-19,OC(C1=CC=C(N=CC=C2)C2=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
584,3,it3.0_AM-07_Imid-04_CA-20,PHIP-s3-am7-CA20,C=CCNC(=O)N1CCN(C(=O)c2ccccc2O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac20,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10783'],['1.30'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-20,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,,X20706?,fail,,,,
585,3,it3.0_AM-07_Imid-04_CA-21,PHIP-s3-am7-CA21,C=CCNC(=O)N1CCN(C(=O)c2ccccc2I)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac21,N/D,31%,success,no comment,no comment,['success'],['PHIPA-x10784'],['1.25'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-21,OC(C1=CC=CC=C1I)=O,,,,,,,,,,,,,X20706?,success,,,,
586,3,it3.0_AM-07_Imid-04_CA-22,PHIP-s3-am7-CA22,C=CCNC(=O)N1CCN(C(=O)C(C2CCCCC2)C2CCCCC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac22,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10785'],['1.52'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-22,O=C(O)C(C1CCCCC1)C2CCCCC2,,,,,,,,,,,,,X20706?,fail,,,,
587,3,it3.0_AM-07_Imid-04_CA-23,PHIP-s3-am7-CA23,C=CCNC(=O)N1CCN(C(=O)c2c[nH]cn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac23,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10786'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-23,O=C(C1=CNC=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
588,3,it3.0_AM-07_Imid-04_CA-24,PHIP-s3-am7-CA24,C=CCNC(=O)N1CCN(C(=O)c2cccc(OC)c2N)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac24,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10787'],['1.48'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-24,O=C(C1=CC=CC(OC)=C1N)O,,,,,,,,,,,,,X20706?,fail,,,,
589,3,it3.0_AM-07_Imid-04_CA-25,PHIP-s3-am7-CA25,C=CCNC(=O)N1CCN(C(=O)Cc2cc(OC)ccc2OC)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac25,N/D,56%,success,no comment,no comment,['success'],['PHIPA-x10788'],['1.52'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-25,O=C(CC1=CC(OC)=CC=C1OC)O,,,,,,,,,,,,,X20706?,success,,,,
590,3,it3.0_AM-07_Imid-04_CA-26,PHIP-s3-am7-CA26,C=CCNC(=O)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac26,N/D,41%,success,no comment,no comment,['success'],['PHIPA-x10789'],['1.62'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-26,ClC1=C(C(O)=O)SC2=CC=CC=C21,,,,,,,,,,,,,X20706?,success,,,,
591,3,it3.0_AM-07_Imid-04_CA-27,PHIP-s3-am7-CA27,C=CCNC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac27,N/D,28%,success,no comment,no comment,['success'],['PHIPA-x10790'],['1.57'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-27,OC(C(C1=CC=CC=C1)C2=CC=CC=C2)=O,,,,,,,,,,,,,X20706?,success,,,,
592,3,it3.0_AM-07_Imid-04_CA-28,PHIP-s3-am7-CA28,C=CCNC(=O)N1CCN(C(=O)C2CCCCN2C(=O)OC(C)(C)C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac28,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10791'],['1.52'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-28,OC(C1N(C(OC(C)(C)C)=O)CCCC1)=O,,,,,,,,,,,,,X20706?,fail,,,,
593,3,it3.0_AM-07_Imid-04_CA-29,PHIP-s3-am7-CA29,C=CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac29,N/D,35%,success,no comment,no comment,['success'],['PHIPA-x10792'],['1.52'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-29,OC(C1=C(C)C=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
594,3,it3.0_AM-07_Imid-04_CA-30,PHIP-s3-am7-CA30,C#CCCCC(=O)N1CCN(C(=O)NCC=C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac30,N/D,100% (but weak),success,no comment,no comment,['Data processing fail'],['PHIPA-x10793'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-30,OC(CCCC#C)=O,,,,,,,,,,,,,X20706?,success,,,,
595,3,it3.0_AM-07_Imid-04_CA-31,PHIP-s3-am7-CA31,C=CCNC(=O)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac31,N/D,44%,success,no comment,no comment,['success'],['PHIPA-x10794'],['1.26'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-31,OC(/C=C/C1=CC=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
596,3,it3.0_AM-07_Imid-04_CA-32,PHIP-s3-am7-CA32,C=CCNC(=O)N1CCN(C(=O)CCCCCCC(=O)OC)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac32,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10795'],['1.41'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-32,OC(CCCCCCC(OC)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
597,3,it3.0_AM-07_Imid-04_CA-33,PHIP-s3-am7-CA33,C=CCNC(=O)N1CCN(C(=O)c2cc[cH-]c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac33,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10796'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-33,OC(C1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,fail,,,,
598,3,it3.0_AM-07_Imid-04_CA-34,PHIP-s3-am7-CA34,C=CCNC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac34,N/D,48%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10797'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-34,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
599,3,it3.0_AM-07_Imid-04_CA-35,PHIP-s3-am7-CA35,C=CCNC(=O)N1CCN(C(=O)c2cccn2C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac35,N/D,77%,success,no comment,no comment,['success'],['PHIPA-x10798'],['1.43'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-35,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
600,3,it3.0_AM-07_Imid-04_CA-36,PHIP-s3-am7-CA36,C=CCNC(=O)N1CCN(C(=O)c2cc(O)c3cccc(O)c3n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac36,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10799'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-36,OC1=CC(C(O)=O)=NC2=C1C=CC=C2O,,,,,,,,,,,,,X20706?,fail,,,,
601,3,it3.0_AM-07_Imid-04_CA-37,PHIP-s3-am7-CA37,C=CCNC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac37,N/D,67%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10800'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-37,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
602,3,it3.0_AM-07_Imid-04_CA-38,PHIP-s3-am7-CA38,C=CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac38,N/D,47%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10801'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-38,O=C(O)C1=CC=C([N+]([O-])=O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
603,3,it3.0_AM-07_Imid-04_CA-39,PHIP-s3-am7-CA39,C=CCNC(=O)N1CCN(C(=O)c2ccc3cccc(O)c3n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac39,N/D,"Messy, poor ionsation (product unconfirmed)",fail,no comment,no comment,['Data processing fail'],['PHIPA-x10802'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-39,OC1=CC=CC(C=C2)=C1N=C2C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
604,3,it3.0_AM-07_Imid-04_CA-40,PHIP-s3-am7-CA40,C=CCNC(=O)N1CCN(C(=O)CCCCCCCCCCCCCCC)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac40,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10803'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-40,CCCCCCCCCCCCCCCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
605,3,it3.0_AM-07_Imid-04_CA-41,PHIP-s3-am7-CA41,C=CCNC(=O)N1CCN(C(=O)C2COc3ccccc3O2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac41,N/D,57%,success,no comment,no comment,['success'],['PHIPA-x10804'],['1.79'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-41,OC(C1COC2=CC=CC=C2O1)=O,,,,,,,,,,,,,X20706?,success,,,,
606,3,it3.0_AM-07_Imid-04_CA-42,PHIP-s3-am7-CA42,C=CCNC(=O)N1CCN(C(=O)c2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac42,N/D,92%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10805'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-42,OC(C1=CC=CS1)=O,,,,,,,,,,,,,X20706?,success,,,,
607,3,it3.0_AM-07_Imid-04_CA-43,PHIP-s3-am7-CA43,C=CCNC(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac43,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10806'],['1.41'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-43,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
608,3,it3.0_AM-07_Imid-04_CA-44,PHIP-s3-am7-CA44,C=CCCC(=O)N1CCN(C(=O)NCC=C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac44,N/D,95%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10807'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-44,OC(CCC=C)=O,,,,,,,,,,,,,X20706?,success,,,,
609,3,it3.0_AM-07_Imid-04_CA-45,PHIP-s3-am7-CA45,C=CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac45,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10808'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-45,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,,X20706?,fail,,,,
610,3,it3.0_AM-07_Imid-04_CA-46,PHIP-s3-am7-CA46,C=CCNC(=O)N1CCN(C(=O)C(C)O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac46,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10809'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-46,OC(C(C)O)=O,,,,,,,,,,,,,X20706?,fail,,,,
611,3,it3.0_AM-07_Imid-04_CA-47,PHIP-s3-am7-CA47,C=CCNC(=O)N1CCN(C(=O)C2CC(=O)N(C(C)c3ccccc3)C2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac47,N/D,62%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10810'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-47,OC(C1CC(N(C(C2=CC=CC=C2)C)C1)=O)=O,,,,,,,,,,,,,X20706?,success,,,,
612,3,it3.0_AM-07_Imid-04_CA-48,PHIP-s3-am7-CA48,C=CCNC(=O)N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac48,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10811'],['1.32'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-48,OC(CN1CCS(CC1)(=O)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
613,3,it3.0_AM-07_Imid-04_CA-49,PHIP-s3-am7-CA49,C=CCNC(=O)N1CCN(C(=O)C2(C(=O)NC)CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac49,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10812'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-49,OC(C1(CC1)C(NC)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
614,3,it3.0_AM-07_Imid-04_CA-50,PHIP-s3-am7-CA50,C=CCNC(=O)N1CCN(C(=O)c2cccc(Cn3ccnc3)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac50,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10813'],['1.38'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-50,OC(C1=CC=CC(CN2C=CN=C2)=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
615,3,it3.0_AM-07_Imid-04_CA-51,PHIP-s3-am7-CA51,C=CCNC(=O)N1CCN(C(=O)c2ccccc2NC)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac51,N/D,"Messy, poor ionsation (product unconfirmed)",fail,no comment,no comment,['Data processing fail'],['PHIPA-x10814'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-51,CNC1=CC=CC=C1C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
616,3,it3.0_AM-07_Imid-04_CA-52,PHIP-s3-am7-CA52,C=CCNC(=O)N1CCN(C(=O)c2cc(C)cc(C)n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac52,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10815'],['2.12'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-52,CC1=NC(C(O)=O)=CC(C)=C1,,,,,,,,,,,,,X20706?,fail,,,,
617,3,it3.0_AM-07_Imid-04_CA-53,PHIP-s3-am7-CA53,C=CCNC(=O)N1CCN(C(=O)c2ccco2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac53,N/D,98%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10816'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-53,O=C(O)C1=CC=CO1,,,,,,,,,,,,,X20706?,success,,,,
618,3,it3.0_AM-07_Imid-04_CA-54,PHIP-s3-am7-CA54,C=CCNC(=O)N1CCN(C(=O)c2cc(F)ccc2C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac54,N/D,47%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10817'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-54,FC1=CC=C(C)C(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
619,3,it3.0_AM-07_Imid-04_CA-55,PHIP-s3-am7-CA55,C=CCNC(=O)N1CCN(C(=O)Cc2cccc(C)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac55,N/D,Overlapping peaks (but messy),fail,no comment,no comment,['success'],['PHIPA-x10818'],['1.41'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-55,CC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
620,3,it3.0_AM-07_Imid-04_CA-56,PHIP-s3-am7-CA56,C=CCNC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac56,N/D,59%,success,no comment,no comment,['success'],['PHIPA-x10819'],['1.62'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-56,ClC1=C(Cl)C=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
621,3,it3.0_AM-07_Imid-04_CA-57,PHIP-s3-am7-CA57,C=CCNC(=O)N1CCN(C(=O)Cc2ccccc2C)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac57,N/D,79%,success,no comment,no comment,['success'],['PHIPA-x10820'],['1.34'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-57,CC(C=CC=C1)=C1CC(O)=O,,,,,,,,,,,,,X20706?,success,,,,
622,3,it3.0_AM-07_Imid-04_CA-58,PHIP-s3-am7-CA58,C=CCNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac58,N/D,"Messy, poor ionsation (product unconfirmed)",fail,no comment,no comment,['Data processing fail'],['PHIPA-x10821'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-58,OC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
623,3,it3.0_AM-07_Imid-04_CA-59,PHIP-s3-am7-CA59,C=CCNC(=O)N1CCN(C(=O)Cc2cccc(O)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac59,N/D,100% (but weak),success,no comment,no comment,['success'],['PHIPA-x10822'],['1.143'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-59,OC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
624,3,it3.0_AM-07_Imid-04_CA-60,PHIP-s3-am7-CA60,C=CCNC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac60,N/D,87%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10823'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-60,COC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
625,3,it3.0_AM-07_Imid-04_CA-61,PHIP-s3-am7-CA61,C=CCNC(=O)N1CCN(C(=O)C(F)(F)F)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac61,N/D,100% (but weak),success,no comment,no comment,['Data processing fail'],['PHIPA-x10824'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-61,FC(F)(F)C(O)=O,,,,,,,,,,,,,X20706?,success,,,,
626,3,it3.0_AM-07_Imid-04_CA-62,PHIP-s3-am7-CA62,C=CCNC(=O)N1CCN(C(=O)CN)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac62,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10825'],['1.56'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-62,NCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
627,3,it3.0_AM-07_Imid-04_CA-63,PHIP-s3-am7-CA63,C=CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac63,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10826'],['1.58'],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-63,O=C(O)[C@H]1NCCC1,,,,,,,,,,,,,X20706?,fail,,,,
628,3,it3.0_AM-07_Imid-04_CA-64,PHIP-s3-am7-CA64,C=CCNC(=O)N1CCN(C(=O)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea7-ac64,N/D,Overlapping peaks (but messy),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10827'],[''],no,,,,,,AM-07,C=CCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-64,O=C(O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
629,3,it3.0_AM-08_Imid-04_CA-01,PHIP-s3-am8-CA01,O=C(Cc1c[nH]cn1)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac01,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10830'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-01,O=C(O)CC1=CNC=N1,,,,,,,,,,,,,X20706?,fail,,,,
630,3,it3.0_AM-08_Imid-04_CA-02,PHIP-s3-am8-CA02,O=C(NCCO)N1CCN(C(=O)c2scc3c2OCCO3)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac02,N/D,No m/s of major peaks,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10831'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-02,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,,X20706?,fail,,,,
631,3,it3.0_AM-08_Imid-04_CA-03,PHIP-s3-am8-CA03,O=C(NCCO)N1CCN(C(=O)C(O)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac03,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10832'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-03,OC(C(O)=O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
632,3,it3.0_AM-08_Imid-04_CA-04,PHIP-s3-am8-CA04,O=C(NCCO)N1CCN(C(=O)c2cocn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac04,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10833'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-04,O=C(O)C1=COC=N1,,,,,,,,,,,,,X20706?,fail,,,,
633,3,it3.0_AM-08_Imid-04_CA-05,PHIP-s3-am8-CA05,Cc1cc(C)c(C(=O)N2CCN(C(=O)NCCO)CC2)c(C)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac05,N/D,No m/s of major peaks,fail,no comment,no comment,['success'],['PHIPA-x10834'],['1.34'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-05,CC(C=C(C)C=C1C)=C1C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
634,3,it3.0_AM-08_Imid-04_CA-06,PHIP-s3-am8-CA06,O=C(C#Cc1ccccc1)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac06,N/D,79%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10835'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-06,O=C(O)C#CC1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
635,3,it3.0_AM-08_Imid-04_CA-07,PHIP-s3-am8-CA07,O=C(CCc1ccc(Cl)cc1)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac07,N/D,55%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10836'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-07,O=C(CCC1=CC=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,success,,,,
636,3,it3.0_AM-08_Imid-04_CA-08,PHIP-s3-am8-CA08,Cc1ccc(C(=O)N2CCN(C(=O)NCCO)CC2)cc1N,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac08,N/D,No m/s of major peaks,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10837'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-08,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
637,3,it3.0_AM-08_Imid-04_CA-09,PHIP-s3-am8-CA09,O=C(NCCO)N1CCN(C(=O)c2ccc3cccnc3c2O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac09,N/D,No m/s of product,fail,no comment,no comment,['success'],['PHIPA-x10838'],['1.38'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-09,O=C(C1=C(O)C2=C(C=C1)C=CC=N2)O,,,,,,,,,,,,,X20706?,fail,,,,
638,3,it3.0_AM-08_Imid-04_CA-10,PHIP-s3-am8-CA10,Cn1nccc1C(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac10,N/D,Mass in solvent front?,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10839'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-10,O=C(O)C1=CC=NN1C,,,,,,,,,,,,,X20706?,fail,,,,
639,3,it3.0_AM-08_Imid-04_CA-11,PHIP-s3-am8-CA11,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac11,N/D,No m/s of major peaks,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10840'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-11,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,,X20706?,fail,,,,
640,3,it3.0_AM-08_Imid-04_CA-12,PHIP-s3-am8-CA12,Cn1cnc(C(=O)N2CCN(C(=O)NCCO)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac12,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10841'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-12,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
641,3,it3.0_AM-08_Imid-04_CA-13,PHIP-s3-am8-CA13,O=C(Cc1ccc(Cl)nc1)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac13,N/D,No m/s of peaks and weak,fail,no comment,no comment,['success'],['PHIPA-x10842'],['1.182'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-13,O=C(CC1=CN=C(Cl)C=C1)O,,,,,,,,,,,,,X20706?,fail,,,,
642,3,it3.0_AM-08_Imid-04_CA-14,PHIP-s3-am8-CA14,O=C(NCCO)N1CCN(C(=O)c2ccccn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac14,N/D,Trace (weak),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10843'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-14,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
643,3,it3.0_AM-08_Imid-04_CA-15,PHIP-s3-am8-CA15,O=C(CCc1ccccc1)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac15,N/D,47%,success,no comment,no comment,['success'],['PHIPA-x10844'],['1.21'],yes,['PHIPA-x10844'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-15,O=C(O)CCC1=CC=CC=C1,,,,,,,,,,,,,X20706?,success,,,,
644,3,it3.0_AM-08_Imid-04_CA-16,PHIP-s3-am8-CA16,COc1cc(CC(=O)N2CCN(C(=O)NCCO)CC2)ccc1O,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac16,N/D,Trace (weak),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10845'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-16,O=C(O)CC1=CC(OC)=C(O)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
645,3,it3.0_AM-08_Imid-04_CA-17,PHIP-s3-am8-CA17,O=C(Cc1cc[cH-]c1)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac17,N/D,71% (no m/s of product peak?),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10846'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-17,OC(CC1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,fail,,,,
646,3,it3.0_AM-08_Imid-04_CA-18,PHIP-s3-am8-CA18,O=C(NCCO)N1CCN(C(=O)c2ccc3ncsc3c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac18,N/D,81% (no m/s of product peak?),fail,no comment,no comment,['success'],['PHIPA-x10847'],['1.94'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-18,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
647,3,it3.0_AM-08_Imid-04_CA-19,PHIP-s3-am8-CA19,O=C(NCCO)N1CCN(C(=O)c2ccc3ncccc3c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac19,N/D,0%,fail,no comment,no comment,['Data processing fail'],['Fail Mount'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-19,OC(C1=CC=C(N=CC=C2)C2=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
648,3,it3.0_AM-08_Imid-04_CA-20,PHIP-s3-am8-CA20,O=C(NCCO)N1CCN(C(=O)c2ccccc2O)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac20,N/D,Trace (weak),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10848'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-20,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,,X20706?,fail,,,,
649,3,it3.0_AM-08_Imid-04_CA-21,PHIP-s3-am8-CA21,O=C(NCCO)N1CCN(C(=O)c2ccccc2I)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac21,N/D,No m/s of major peaks,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10849'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-21,OC(C1=CC=CC=C1I)=O,,,,,,,,,,,,,X20706?,fail,,,,
650,3,it3.0_AM-08_Imid-04_CA-22,PHIP-s3-am8-CA22,O=C(NCCO)N1CCN(C(=O)C(C2CCCCC2)C2CCCCC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac22,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10850'],['1.24'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-22,O=C(O)C(C1CCCCC1)C2CCCCC2,,,,,,,,,,,,,X20706?,fail,,,,
651,3,it3.0_AM-08_Imid-04_CA-23,PHIP-s3-am8-CA23,O=C(NCCO)N1CCN(C(=O)c2c[nH]cn2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac23,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10851'],['1.29'],yes,['PHIPA-x10851'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-23,O=C(C1=CNC=N1)O,,,,,,,,,,,,,X20706?,fail,,,,
652,3,it3.0_AM-08_Imid-04_CA-24,PHIP-s3-am8-CA24,COc1cccc(C(=O)N2CCN(C(=O)NCCO)CC2)c1N,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac24,N/D,No m/s of major peaks,fail,no comment,no comment,['success'],['PHIPA-x10852'],['1.10'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-24,O=C(C1=CC=CC(OC)=C1N)O,,,,,,,,,,,,,X20706?,fail,,,,
653,3,it3.0_AM-08_Imid-04_CA-25,PHIP-s3-am8-CA25,COc1ccc(OC)c(CC(=O)N2CCN(C(=O)NCCO)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac25,N/D,51%,success,no comment,no comment,['success'],['PHIPA-x10853'],['2.92'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-25,O=C(CC1=CC(OC)=CC=C1OC)O,,,,,,,,,,,,,X20706?,success,,,,
654,3,it3.0_AM-08_Imid-04_CA-26,PHIP-s3-am8-CA26,O=C(NCCO)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac26,N/D,48%,success,no comment,no comment,['success'],['PHIPA-x10854'],['1.34'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-26,ClC1=C(C(O)=O)SC2=CC=CC=C21,,,,,,,,,,,,,X20706?,success,,,,
655,3,it3.0_AM-08_Imid-04_CA-27,PHIP-s3-am8-CA27,O=C(NCCO)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac27,N/D,12%,success,no comment,no comment,['success'],['PHIPA-x10855'],['1.26'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-27,OC(C(C1=CC=CC=C1)C2=CC=CC=C2)=O,,,,,,,,,,,,,X20706?,success,,,,
656,3,it3.0_AM-08_Imid-04_CA-28,PHIP-s3-am8-CA28,CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac28,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10856'],['1.21'],yes,['PHIPA-x10856'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-28,OC(C1N(C(OC(C)(C)C)=O)CCCC1)=O,,,,,,,,,,,,,X20706?,fail,,,,
657,3,it3.0_AM-08_Imid-04_CA-29,PHIP-s3-am8-CA29,Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac29,N/D,22%,success,no comment,no comment,['success'],['PHIPA-x10857'],['1.21'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-29,OC(C1=C(C)C=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,success,,,,
658,3,it3.0_AM-08_Imid-04_CA-30,PHIP-s3-am8-CA30,C#CCCCC(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac30,N/D,99% (no m/s of product peak?),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10858'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-30,OC(CCCC#C)=O,,,,,,,,,,,,,X20706?,fail,,,,
659,3,it3.0_AM-08_Imid-04_CA-31,PHIP-s3-am8-CA31,O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac31,N/D,29% (no m/s of any peaks),fail,no comment,no comment,['success'],['PHIPA-x10859'],['1.78'],yes,['PHIPA-x10859'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-31,OC(/C=C/C1=CC=C([N+]([O-])=O)C=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
660,3,it3.0_AM-08_Imid-04_CA-32,PHIP-s3-am8-CA32,COC(=O)CCCCCCC(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac32,N/D,No m/s of major peaks,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10860'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-32,OC(CCCCCCC(OC)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
661,3,it3.0_AM-08_Imid-04_CA-33,PHIP-s3-am8-CA33,O=C(NCCO)N1CCN(C(=O)c2cc[cH-]c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac33,N/D,No m/s of peaks and weak,fail,no comment,no comment,['success'],['PHIPA-x10861'],['1.25'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-33,OC(C1=C[CH-]C=C1)=O.[CH-]2C=CC=C2.[Fe+2],,,,,,,,,,,,,X20706?,fail,,,,
662,3,it3.0_AM-08_Imid-04_CA-34,PHIP-s3-am8-CA34,Cc1ccc(C(=O)N2CCN(C(=O)NCCO)CC2)cc1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac34,N/D,29%,success,no comment,no comment,['success'],['PHIPA-x10862'],['1.30'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-34,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,,X20706?,success,,,,
663,3,it3.0_AM-08_Imid-04_CA-35,PHIP-s3-am8-CA35,Cn1cccc1C(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac35,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10863'],['1.26'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-35,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
664,3,it3.0_AM-08_Imid-04_CA-36,PHIP-s3-am8-CA36,O=C(NCCO)N1CCN(C(=O)c2cc(O)c3cccc(O)c3n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac36,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10864'],['1.156'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-36,OC1=CC(C(O)=O)=NC2=C1C=CC=C2O,,,,,,,,,,,,,X20706?,fail,,,,
665,3,it3.0_AM-08_Imid-04_CA-37,PHIP-s3-am8-CA37,COc1cccc(C(=O)N2CCN(C(=O)NCCO)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac37,N/D,27%,success,no comment,no comment,['success'],['PHIPA-x10865'],['1.32'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-37,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
666,3,it3.0_AM-08_Imid-04_CA-38,PHIP-s3-am8-CA38,O=C(NCCO)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac38,N/D,66% (no m/s of major peaks),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10866'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-38,O=C(O)C1=CC=C([N+]([O-])=O)C=C1,,,,,,,,,,,,,X20706?,fail,,,,
667,3,it3.0_AM-08_Imid-04_CA-39,PHIP-s3-am8-CA39,O=C(NCCO)N1CCN(C(=O)c2ccc3cccc(O)c3n2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac39,N/D,52% (no m/s of major peaks),fail,no comment,no comment,['success'],['PHIPA-x10867'],['1.51'],yes,['PHIPA-x10867'],['solvent'],['CC(=O)N(C)C'],['-'],['ethylglycol?'],AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-39,OC1=CC=CC(C=C2)=C1N=C2C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
668,3,it3.0_AM-08_Imid-04_CA-40,PHIP-s3-am8-CA40,CCCCCCCCCCCCCCCC(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac40,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10868'],['1.28'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-40,CCCCCCCCCCCCCCCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
669,3,it3.0_AM-08_Imid-04_CA-41,PHIP-s3-am8-CA41,O=C(NCCO)N1CCN(C(=O)C2COc3ccccc3O2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac41,N/D,22%,success,no comment,no comment,['success'],['PHIPA-x10869'],['1.36'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-41,OC(C1COC2=CC=CC=C2O1)=O,,,,,,,,,,,,,X20706?,success,,,,
670,3,it3.0_AM-08_Imid-04_CA-42,PHIP-s3-am8-CA42,O=C(NCCO)N1CCN(C(=O)c2cccs2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac42,N/D,Trace (weak),fail,no comment,no comment,['success'],['PHIPA-x10870'],['2.04'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-42,OC(C1=CC=CS1)=O,,,,,,,,,,,,,X20706?,fail,,,,
671,3,it3.0_AM-08_Imid-04_CA-43,PHIP-s3-am8-CA43,O=C(NCCO)N1CCN(C(=O)c2cncc(Br)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac43,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10871'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-43,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
672,3,it3.0_AM-08_Imid-04_CA-44,PHIP-s3-am8-CA44,C=CCCC(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac44,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10872'],['3.08'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-44,OC(CCC=C)=O,,,,,,,,,,,,,X20706?,fail,,,,
673,3,it3.0_AM-08_Imid-04_CA-45,PHIP-s3-am8-CA45,O=C(NCCO)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac45,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10873'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-45,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,,X20706?,fail,,,,
674,3,it3.0_AM-08_Imid-04_CA-46,PHIP-s3-am8-CA46,CC(O)C(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac46,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10874'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-46,OC(C(C)O)=O,,,,,,,,,,,,,X20706?,fail,,,,
675,3,it3.0_AM-08_Imid-04_CA-47,PHIP-s3-am8-CA47,CC(c1ccccc1)N1CC(C(=O)N2CCN(C(=O)NCCO)CC2)CC1=O,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac47,N/D,Trace (weak),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10875'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-47,OC(C1CC(N(C(C2=CC=CC=C2)C)C1)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
676,3,it3.0_AM-08_Imid-04_CA-48,PHIP-s3-am8-CA48,O=C(CN1CCS(=O)(=O)CC1)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac48,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10876'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-48,OC(CN1CCS(CC1)(=O)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
677,3,it3.0_AM-08_Imid-04_CA-49,PHIP-s3-am8-CA49,CNC(=O)C1(C(=O)N2CCN(C(=O)NCCO)CC2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac49,N/D,Trace (weak),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10877'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-49,OC(C1(CC1)C(NC)=O)=O,,,,,,,,,,,,,X20706?,fail,,,,
678,3,it3.0_AM-08_Imid-04_CA-50,PHIP-s3-am8-CA50,O=C(NCCO)N1CCN(C(=O)c2cccc(Cn3ccnc3)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac50,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10878'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-50,OC(C1=CC=CC(CN2C=CN=C2)=C1)=O,,,,,,,,,,,,,X20706?,fail,,,,
679,3,it3.0_AM-08_Imid-04_CA-51,PHIP-s3-am8-CA51,CNc1ccccc1C(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac51,N/D,No m/s of major peaks,fail,no comment,no comment,['success'],['PHIPA-x10879'],['1.27'],yes,['PHIPA-x10879'],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-51,CNC1=CC=CC=C1C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
680,3,it3.0_AM-08_Imid-04_CA-52,PHIP-s3-am8-CA52,Cc1cc(C)nc(C(=O)N2CCN(C(=O)NCCO)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac52,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10880'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-52,CC1=NC(C(O)=O)=CC(C)=C1,,,,,,,,,,,,,X20706?,fail,,,,
681,3,it3.0_AM-08_Imid-04_CA-53,PHIP-s3-am8-CA53,O=C(NCCO)N1CCN(C(=O)c2ccco2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac53,N/D,Trace (weak),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10881'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-53,O=C(O)C1=CC=CO1,,,,,,,,,,,,,X20706?,fail,,,,
682,3,it3.0_AM-08_Imid-04_CA-54,PHIP-s3-am8-CA54,Cc1ccc(F)cc1C(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac54,N/D,52% (no m/s of the major peak),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10882'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-54,FC1=CC=C(C)C(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
683,3,it3.0_AM-08_Imid-04_CA-55,PHIP-s3-am8-CA55,Cc1cccc(CC(=O)N2CCN(C(=O)NCCO)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac55,N/D,31%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10883'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-55,CC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
684,3,it3.0_AM-08_Imid-04_CA-56,PHIP-s3-am8-CA56,O=C(NCCO)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac56,N/D,45%,success,no comment,no comment,['success'],['PHIPA-x10884'],['2.90'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-56,ClC1=C(Cl)C=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,success,,,,
685,3,it3.0_AM-08_Imid-04_CA-57,PHIP-s3-am8-CA57,Cc1ccccc1CC(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac57,N/D,63%,success,no comment,no comment,['Data processing fail'],['PHIPA-x10885'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-57,CC(C=CC=C1)=C1CC(O)=O,,,,,,,,,,,,,X20706?,success,,,,
686,3,it3.0_AM-08_Imid-04_CA-58,PHIP-s3-am8-CA58,O=C(NCCO)N1CCN(C(=O)c2cccc(O)c2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac58,N/D,weak and No m/s of major peaks,fail,no comment,no comment,['success'],['PHIPA-x10886'],['1.18'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-58,OC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
687,3,it3.0_AM-08_Imid-04_CA-59,PHIP-s3-am8-CA59,O=C(Cc1cccc(O)c1)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac59,N/D,0%,fail,no comment,no comment,['success'],['PHIPA-x10887'],['1.61'],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-59,OC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
688,3,it3.0_AM-08_Imid-04_CA-60,PHIP-s3-am8-CA60,COc1cccc(CC(=O)N2CCN(C(=O)NCCO)CC2)c1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac60,N/D,79% (no m/s of the major peak),fail,no comment,no comment,['Data processing fail'],['PHIPA-x10888'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-60,COC1=CC=CC(CC(O)=O)=C1,,,,,,,,,,,,,X20706?,fail,,,,
689,3,it3.0_AM-08_Imid-04_CA-61,PHIP-s3-am8-CA61,O=C(NCCO)N1CCN(C(=O)C(F)(F)F)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac61,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10889'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-61,FC(F)(F)C(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
690,3,it3.0_AM-08_Imid-04_CA-62,PHIP-s3-am8-CA62,NCC(=O)N1CCN(C(=O)NCCO)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac62,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10890'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-62,NCC(O)=O,,,,,,,,,,,,,X20706?,fail,,,,
691,3,it3.0_AM-08_Imid-04_CA-63,PHIP-s3-am8-CA63,O=C(NCCO)N1CCN(C(=O)[C@@H]2CCCN2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac63,N/D,0%,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10891'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-63,O=C(O)[C@H]1NCCC1,,,,,,,,,,,,,X20706?,fail,,,,
692,3,it3.0_AM-08_Imid-04_CA-64,PHIP-s3-am8-CA64,O=C(NCCO)N1CCN(C(=O)c2ccccc2)CC1,furan substitution and SAR around urea,Iteration 3.0,PHIP-it3-urea8-ac64,N/D,Ion not detected,fail,no comment,no comment,['Data processing fail'],['PHIPA-x10892'],[''],no,,,,,,AM-08,OCCN,Imid-04,CC(C)(C)OC(N1CCN(C(N2C=[NH+]C=C2)=O)CC1)=O.[I-],CA-64,O=C(O)C1=CC=CC=C1,,,,,,,,,,,,,X20706?,fail,,,,
693,3.5,it3.5_AM-01_Imid-04_CA-01,AM-01-Imid-04-CA-01,COCCNC(=O)N1CCCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_1,Unknown - no m/s of major potential product peak,42%(Major peak),no ms,,,['success'],['PHIPA-x11821'],['1.14'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,no ms,,,,
694,3.5,it3.5_AM-01_Imid-04_CA-02,AM-01-Imid-04-CA-02,COCCNC(=O)N1CCCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_2,yes (in solvent front),n/a,success,*mass in the solvent front,,['success'],['PHIPA-x11822'],['1.5'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
695,3.5,it3.5_AM-01_Imid-04_CA-03,AM-01-Imid-04-CA-03,COCCNC(=O)N1CCCN(C(=O)c2ccc(C)c(N)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_3,yes (in solvent front),n/a,success,*mass in the solvent front,,['success'],['PHIPA-x11823'],['1.27'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
696,3.5,it3.5_AM-01_Imid-04_CA-04,AM-01-Imid-04-CA-04,COCCNC(=O)N1CCCN(C(=O)c2ccnn2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_4,yes (in solvent front),n/a,success,*mass in the solvent front,,['Data processing fail'],['Fail Mount'],[''],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,success,,,,
697,3.5,it3.5_AM-01_Imid-04_CA-05,AM-01-Imid-04-CA-05,COCCNC(=O)N1CCCN(C(=O)c2c(OC)cccc2OC)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_5,yes,7%,success,*weak,,['success'],['PHIPA-x11824'],['1.09'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,success,,,,
698,3.5,it3.5_AM-01_Imid-04_CA-06,AM-01-Imid-04-CA-06,COCCNC(=O)N1CCCN(C(=O)c2cn(C)cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_6,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,fail,,,,
699,3.5,it3.5_AM-01_Imid-04_CA-07,AM-01-Imid-04-CA-07,COCCNC(=O)N1CCCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_7,yes (in solvent front),n/a,success,*mass in the solvent front,,['Data processing fail'],['Fail Mount'],[''],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
700,3.5,it3.5_AM-01_Imid-04_CA-08,AM-01-Imid-04-CA-08,COCCNC(=O)N1CCCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_8,yes (in solvent front),n/a,success,*mass in the solvent front,,['success'],['PHIPA-x11825'],['1.4'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,success,,,,
701,3.5,it3.5_AM-01_Imid-04_CA-09,AM-01-Imid-04-CA-09,COCCNC(=O)N1CCCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_9,Unknown - no m/s of major potential product peak,72% (Major peak),no ms,,,['success'],['PHIPA-x11826'],['1.12'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,no ms,,,,
702,3.5,it3.5_AM-01_Imid-04_CA-10,AM-01-Imid-04-CA-10,COCCNC(=O)N1CCCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_10,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
703,3.5,it3.5_AM-01_Imid-04_CA-11,AM-01-Imid-04-CA-11,COCCNC(=O)N1CCCN(C(=O)c2cccc(C)c2N)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_11,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12414'],['1.64'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
704,3.5,it3.5_AM-01_Imid-04_CA-12,AM-01-Imid-04-CA-12,COCCNC(=O)N1CCCN(C(=O)Cc2ccccc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_12,yes,29%,success,,,['Data processing fail'],['Fail Mount'],[''],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
705,3.5,it3.5_AM-01_Imid-04_CA-13,AM-01-Imid-04-CA-13,COCCNC(=O)N1CCCN(C(=O)c2ccc(C)cc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_13,yes,37%,success,,,"['Data processing fail', 'success']","['PHIPA-x11869', 'PHIPA-x12410']","['', '1.26']",no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
706,3.5,it3.5_AM-01_Imid-04_CA-14,AM-01-Imid-04-CA-14,COCCNC(=O)N1CCCN(C(=O)c2cccn2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_14,yes,30%,success,*weak,,['success'],['PHIPA-x11870'],['1.09'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
707,3.5,it3.5_AM-01_Imid-04_CA-15,AM-01-Imid-04-CA-15,COCCNC(=O)N1CCCN(C(=O)c2cccc(OC)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_15,yes,19%,success,,,['success'],['PHIPA-x11871'],['1.25'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
708,3.5,it3.5_AM-01_Imid-04_CA-16,AM-01-Imid-04-CA-16,COCCNC(=O)N1CCCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_16,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,fail,,,,
709,3.5,it3.5_AM-01_Imid-04_CA-17,AM-01-Imid-04-CA-17,COCCNC(=O)N1CCCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_17,yes,81%,success,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11872', 'Fail Mount']","['', '']",no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
710,3.5,it3.5_AM-01_Imid-04_CA-18,AM-01-Imid-04-CA-18,COCCNC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_18,yes,18%,success,*weak,,['success'],['PHIPA-x11873'],['1.2'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
711,3.5,it3.5_AM-01_Imid-04_CA-19,AM-01-Imid-04-CA-19,COCCNC(=O)N1CCCN(C(=O)C#Cc2ccccc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_19,yes,65%,success,,,['success'],['PHIPA-x11874'],['1.12'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
712,3.5,it3.5_AM-01_Imid-04_CA-20,AM-01-Imid-04-CA-20,COCCNC(=O)N1CCCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_20,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,fail,,,,
713,3.5,it3.5_AM-01_Imid-04_CA-21,AM-01-Imid-04-CA-21,COCCNC(=O)N1CCCN(C(=O)CNC(=O)OC(C)(C)C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_21,yes,14%,success,*weak,,['success'],['PHIPA-x11875'],['1.2'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
714,3.5,it3.5_AM-01_Imid-04_CA-22,AM-01-Imid-04-CA-22,COCCNC(=O)N1CCCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_22,yes (in solvent front),n/a,success,*mass in the solvent front,,"['success', 'success']","['PHIPA-x11827', 'PHIPA-x12406']","['1.72', '1.19']",no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
715,3.5,it3.5_AM-01_Imid-04_CA-23,AM-01-Imid-04-CA-23,COCCNC(=O)N1CCCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_23,yes (overlapping the solvent front),n/a,success,*mass in the solvent front,,['success'],['PHIPA-x11828'],['1.34'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
716,3.5,it3.5_AM-01_Imid-04_CA-24,AM-01-Imid-04-CA-24,COCCNC(=O)N1CCCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_24,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,fail,,,,
717,3.5,it3.5_AM-01_Imid-04_CA-25,AM-01-Imid-04-CA-25,COCCNC(=O)N1CCCN(C(=O)c2ccc(C)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_25,yes,49%,success,,,['success'],['PHIPA-x11876'],['1.09'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
718,3.5,it3.5_AM-01_Imid-04_CA-26,AM-01-Imid-04-CA-26,COCCNC(=O)N1CCCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_26,no,0%,fail,,,['success'],['PHIPA-x11829'],['1.09'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
719,3.5,it3.5_AM-01_Imid-04_CA-27,AM-01-Imid-04-CA-27,COCCNC(=O)N1CCCN(C(=O)c2ccoc2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_27,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,fail,,,,
720,3.5,it3.5_AM-01_Imid-04_CA-28,AM-01-Imid-04-CA-28,COCCNC(=O)N1CCCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_28,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
721,3.5,it3.5_AM-01_Imid-04_CA-29,AM-01-Imid-04-CA-29,COCCNC(=O)N1CCCN(C(=O)c2cc(C)c(C)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_29,yes,45%,success,,,['success'],['PHIPA-x11877'],['1.09'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
722,3.5,it3.5_AM-01_Imid-04_CA-30,AM-01-Imid-04-CA-30,COCCNC(=O)N1CCCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_30,yes,18%,success,*weak,,['success'],['PHIPA-x11878'],['1.22'],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
723,3.5,it3.5_AM-01_Imid-04_CA-31,AM-01-Imid-04-CA-31,COCCNC(=O)N1CCCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_31,yes,28%,success,,,['Data processing fail'],['Fail Mount'],[''],no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
724,3.5,it3.5_AM-01_Imid-04_CA-32,AM-01-Imid-04-CA-32,COCCNC(=O)N1CCCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_32,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,fail,,,,
725,3.5,it3.5_AM-02_Imid-04_CA-01,AM-02-Imid-04-CA-01,O=C(NCC1CC1)N1CCCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_33,yes,41%,success,,,['success'],['PHIPA-x11879'],['1.13'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
726,3.5,it3.5_AM-02_Imid-04_CA-02,AM-02-Imid-04-CA-02,O=C(NCC1CC1)N1CCCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_34,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,fail,,,,
727,3.5,it3.5_AM-02_Imid-04_CA-03,AM-02-Imid-04-CA-03,Cc1ccc(C(=O)N2CCCN(C(=O)NCC3CC3)CC2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_35,yes,27%,success,,,['success'],['PHIPA-x11880'],['1.16'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
728,3.5,it3.5_AM-02_Imid-04_CA-04,AM-02-Imid-04-CA-04,Cn1nccc1C(=O)N1CCCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_36,Trace,Trace,trace,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11830', 'Fail Mount']","['', '']",no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,trace,,,,
729,3.5,it3.5_AM-02_Imid-04_CA-05,AM-02-Imid-04-CA-05,COc1cccc(OC)c1C(=O)N1CCCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_37,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
730,3.5,it3.5_AM-02_Imid-04_CA-06,AM-02-Imid-04-CA-06,Cn1cnc(C(=O)N2CCCN(C(=O)NCC3CC3)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_38,yes (in solvent front),n/a,success,*mass in the solvent front,,['success'],['PHIPA-x11831'],['1.42'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,success,,,,
731,3.5,it3.5_AM-02_Imid-04_CA-07,AM-02-Imid-04-CA-07,O=C(NCC1CC1)N1CCCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_39,yes,43%,success,*weak mass ion,,"['Data processing fail', 'success']","['PHIPA-x11881', 'PHIPA-x12411']","['', '1.27']",no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
732,3.5,it3.5_AM-02_Imid-04_CA-08,AM-02-Imid-04-CA-08,O=C(NCC1CC1)N1CCCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_40,yes,17%,success,*weak trace,,['success'],['PHIPA-x11882'],['1.12'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,success,,,,
733,3.5,it3.5_AM-02_Imid-04_CA-09,AM-02-Imid-04-CA-09,O=C(NCC1CC1)N1CCCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_41,Unknown - no m/s of major potential product peak,77% (Major peak),no ms,,,['Data processing fail'],['Fail Mount'],[''],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,no ms,,,,
734,3.5,it3.5_AM-02_Imid-04_CA-10,AM-02-Imid-04-CA-10,O=C(NCC1CC1)N1CCCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_42,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
735,3.5,it3.5_AM-02_Imid-04_CA-11,AM-02-Imid-04-CA-11,Cc1cccc(C(=O)N2CCCN(C(=O)NCC3CC3)CC2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_43,to fill,to fill,to fill,to fill,to fill,"['success', 'success']","['PHIPA-x11883', 'PHIPA-x12419']","['1.09', '1.21']",no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
736,3.5,it3.5_AM-02_Imid-04_CA-12,AM-02-Imid-04-CA-12,O=C(Cc1ccccc1)N1CCCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_44,yes,28%,success,,,['success'],['PHIPA-x11884'],['1.22'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
737,3.5,it3.5_AM-02_Imid-04_CA-13,AM-02-Imid-04-CA-13,Cc1ccc(C(=O)N2CCCN(C(=O)NCC3CC3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_45,yes,42%,success,,,['success'],['PHIPA-x11885'],['1.12'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
738,3.5,it3.5_AM-02_Imid-04_CA-14,AM-02-Imid-04-CA-14,Cn1cccc1C(=O)N1CCCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_46,yes,22%,success,,,['success'],['PHIPA-x11886'],['1.09'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
739,3.5,it3.5_AM-02_Imid-04_CA-15,AM-02-Imid-04-CA-15,COc1cccc(C(=O)N2CCCN(C(=O)NCC3CC3)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_47,yes,42%,success,,,['success'],['PHIPA-x11887'],['1.09'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
740,3.5,it3.5_AM-02_Imid-04_CA-16,AM-02-Imid-04-CA-16,O=C(NCC1CC1)N1CCCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_48,yes,41%,success,,,['success'],['PHIPA-x11888'],['1.16'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,success,,,,
741,3.5,it3.5_AM-02_Imid-04_CA-17,AM-02-Imid-04-CA-17,O=C(NCC1CC1)N1CCCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_49,yes,17%,success,,,"['success', 'success']","['PHIPA-x11889', 'PHIPA-x12403']","['1.95', '1.24']",no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
742,3.5,it3.5_AM-02_Imid-04_CA-18,AM-02-Imid-04-CA-18,O=C(NCC1CC1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_50,yes,24%,success,,,['success'],['PHIPA-x11890'],['1.19'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
743,3.5,it3.5_AM-02_Imid-04_CA-19,AM-02-Imid-04-CA-19,O=C(C#Cc1ccccc1)N1CCCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_51,yes,22%,success,,,['success'],['PHIPA-x11891'],['1.46'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
744,3.5,it3.5_AM-02_Imid-04_CA-20,AM-02-Imid-04-CA-20,O=C(NCC1CC1)N1CCCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_52,yes,7%,success,*weak,,['Data processing fail'],['Fail Mount'],[''],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
745,3.5,it3.5_AM-02_Imid-04_CA-21,AM-02-Imid-04-CA-21,CC(C)(C)OC(=O)NCC(=O)N1CCCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_53,yes,16%,success,,,['success'],['PHIPA-x11892'],['1.28'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
746,3.5,it3.5_AM-02_Imid-04_CA-22,AM-02-Imid-04-CA-22,O=C(NCC1CC1)N1CCCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_54,yes,29%,success,,,['success'],['PHIPA-x11893'],['1.12'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
747,3.5,it3.5_AM-02_Imid-04_CA-23,AM-02-Imid-04-CA-23,O=C(NCC1CC1)N1CCCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_55,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,fail,,,,
748,3.5,it3.5_AM-02_Imid-04_CA-24,AM-02-Imid-04-CA-24,O=C(NCC1CC1)N1CCCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_56,yes,20%,success,*weak,,['success'],['PHIPA-x11894'],['1.09'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,success,,,,
749,3.5,it3.5_AM-02_Imid-04_CA-25,AM-02-Imid-04-CA-25,Cc1ccc(C(=O)N2CCCN(C(=O)NCC3CC3)CC2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_57,yes,46%,success,,,['success'],['PHIPA-x11895'],['1.49'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
750,3.5,it3.5_AM-02_Imid-04_CA-26,AM-02-Imid-04-CA-26,O=C(NCC1CC1)N1CCCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_58,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
751,3.5,it3.5_AM-02_Imid-04_CA-27,AM-02-Imid-04-CA-27,Cc1occc1C(=O)N1CCCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_59,yes,26%,success,,,['success'],['PHIPA-x11896'],['1.12'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
752,3.5,it3.5_AM-02_Imid-04_CA-28,AM-02-Imid-04-CA-28,O=C(NCC1CC1)N1CCCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_60,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
753,3.5,it3.5_AM-02_Imid-04_CA-29,AM-02-Imid-04-CA-29,Cc1cc(C(=O)N2CCCN(C(=O)NCC3CC3)CC2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_61,yes,44%,success,,,['success'],['PHIPA-x11897'],['1.09'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
754,3.5,it3.5_AM-02_Imid-04_CA-30,AM-02-Imid-04-CA-30,O=C(NCC1CC1)N1CCCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_62,yes,31%,success,,,['success'],['PHIPA-x11898'],['1.2'],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
755,3.5,it3.5_AM-02_Imid-04_CA-31,AM-02-Imid-04-CA-31,O=C(NCC1CC1)N1CCCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_63,yes,9%,success,,,['Data processing fail'],['Fail Mount'],[''],no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
756,3.5,it3.5_AM-02_Imid-04_CA-32,AM-02-Imid-04-CA-32,O=C(NCC1CC1)N1CCCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_64,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,fail,,,,
757,3.5,it3.5_AM-03_Imid-04_CA-01,AM-03-Imid-04-CA-01,O=C(NCc1cccs1)N1CCCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_65,yes,35%,success,,,['success'],['PHIPA-x11899'],['1.45'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
758,3.5,it3.5_AM-03_Imid-04_CA-02,AM-03-Imid-04-CA-02,O=C(NCc1cccs1)N1CCCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_66,yes,37%,success,,,['success'],['PHIPA-x11900'],['1.09'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
759,3.5,it3.5_AM-03_Imid-04_CA-03,AM-03-Imid-04-CA-03,Cc1ccc(C(=O)N2CCCN(C(=O)NCc3cccs3)CC2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_67,yes,21%,success,,,['success'],['PHIPA-x11901'],['1.38'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
760,3.5,it3.5_AM-03_Imid-04_CA-04,AM-03-Imid-04-CA-04,Cn1nccc1C(=O)N1CCCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_68,yes,23%,success,*weak,,['success'],['PHIPA-x11902'],['1.09'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,success,,,,
761,3.5,it3.5_AM-03_Imid-04_CA-05,AM-03-Imid-04-CA-05,COc1cccc(OC)c1C(=O)N1CCCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_69,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
762,3.5,it3.5_AM-03_Imid-04_CA-06,AM-03-Imid-04-CA-06,Cn1cnc(C(=O)N2CCCN(C(=O)NCc3cccs3)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_70,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,fail,,,,
763,3.5,it3.5_AM-03_Imid-04_CA-07,AM-03-Imid-04-CA-07,O=C(NCc1cccs1)N1CCCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_71,yes,41%,success,,,['success'],['PHIPA-x11903'],['1.09'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
764,3.5,it3.5_AM-03_Imid-04_CA-08,AM-03-Imid-04-CA-08,O=C(NCc1cccs1)N1CCCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_72,yes,22%,success,,,['success'],['PHIPA-x11904'],['1.45'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,success,,,,
765,3.5,it3.5_AM-03_Imid-04_CA-09,AM-03-Imid-04-CA-09,O=C(NCc1cccs1)N1CCCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_73,maybe (weak mass ion),85%,success,,,['success'],['PHIPA-x11905'],['1.21'],yes,['PHIPA-x11905'],['under 5S96'],['SM'],['O=C(O)c1ccccc1O'],['ok'],['SM bound not merged'],AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,success,,,,
766,3.5,it3.5_AM-03_Imid-04_CA-10,AM-03-Imid-04-CA-10,O=C(NCc1cccs1)N1CCCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_74,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
767,3.5,it3.5_AM-03_Imid-04_CA-11,AM-03-Imid-04-CA-11,Cc1cccc(C(=O)N2CCCN(C(=O)NCc3cccs3)CC2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_75,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12415'],['1.3'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
768,3.5,it3.5_AM-03_Imid-04_CA-12,AM-03-Imid-04-CA-12,O=C(Cc1ccccc1)N1CCCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_76,yes,33%,success,,,['success'],['PHIPA-x11906'],['1.09'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
769,3.5,it3.5_AM-03_Imid-04_CA-13,AM-03-Imid-04-CA-13,Cc1ccc(C(=O)N2CCCN(C(=O)NCc3cccs3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_77,yes,10%,success,,,['success'],['PHIPA-x11832'],['1.12'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
770,3.5,it3.5_AM-03_Imid-04_CA-14,AM-03-Imid-04-CA-14,Cn1cccc1C(=O)N1CCCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_78,yes,12%,success,,,['success'],['PHIPA-x11907'],['1.13'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
771,3.5,it3.5_AM-03_Imid-04_CA-15,AM-03-Imid-04-CA-15,COc1cccc(C(=O)N2CCCN(C(=O)NCc3cccs3)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_79,yes,12%,success,,,['success'],['PHIPA-x11908'],['1.23'],yes,['PHIPA-x11908'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound not merged'],AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
772,3.5,it3.5_AM-03_Imid-04_CA-16,AM-03-Imid-04-CA-16,O=C(NCc1cccs1)N1CCCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_80,yes,28%,success,,,['success'],['PHIPA-x11909'],['1.09'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,success,,,,
773,3.5,it3.5_AM-03_Imid-04_CA-17,AM-03-Imid-04-CA-17,O=C(NCc1cccs1)N1CCCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_81,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,fail,,,,
774,3.5,it3.5_AM-03_Imid-04_CA-18,AM-03-Imid-04-CA-18,O=C(NCc1cccs1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_82,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,fail,,,,
775,3.5,it3.5_AM-03_Imid-04_CA-19,AM-03-Imid-04-CA-19,O=C(C#Cc1ccccc1)N1CCCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_83,yes,44%,success,,,['success'],['PHIPA-x11910'],['1.09'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
776,3.5,it3.5_AM-03_Imid-04_CA-20,AM-03-Imid-04-CA-20,O=C(NCc1cccs1)N1CCCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_84,yes,23%,success,*weak,,['success'],['PHIPA-x11911'],['1.14'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
777,3.5,it3.5_AM-03_Imid-04_CA-21,AM-03-Imid-04-CA-21,CC(C)(C)OC(=O)NCC(=O)N1CCCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_85,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,fail,,,,
778,3.5,it3.5_AM-03_Imid-04_CA-22,AM-03-Imid-04-CA-22,O=C(NCc1cccs1)N1CCCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_86,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,fail,,,,
779,3.5,it3.5_AM-03_Imid-04_CA-23,AM-03-Imid-04-CA-23,O=C(NCc1cccs1)N1CCCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_87,Unknown (messy without mass of all the peaks),n/a,no ms,No mass of the main (potential product),,['success'],['PHIPA-x11833'],['1.32'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,no ms,,,,
780,3.5,it3.5_AM-03_Imid-04_CA-24,AM-03-Imid-04-CA-24,O=C(NCc1cccs1)N1CCCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_88,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,fail,,,,
781,3.5,it3.5_AM-03_Imid-04_CA-25,AM-03-Imid-04-CA-25,Cc1ccc(C(=O)N2CCCN(C(=O)NCc3cccs3)CC2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_89,yes,18%,success,*weak,,['success'],['PHIPA-x11912'],['1.47'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
782,3.5,it3.5_AM-03_Imid-04_CA-26,AM-03-Imid-04-CA-26,O=C(NCc1cccs1)N1CCCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_90,Unknown (messy without mass of all the peaks),N/a,no ms,,,['success'],['PHIPA-x11834'],['1.35'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,no ms,,,,
783,3.5,it3.5_AM-03_Imid-04_CA-27,AM-03-Imid-04-CA-27,Cc1occc1C(=O)N1CCCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_91,yes,29%,success,,,"['Data processing fail', 'success']","['PHIPA-x11913', 'PHIPA-x12412']","['', '1.38']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
784,3.5,it3.5_AM-03_Imid-04_CA-28,AM-03-Imid-04-CA-28,O=C(NCc1cccs1)N1CCCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_92,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
785,3.5,it3.5_AM-03_Imid-04_CA-29,AM-03-Imid-04-CA-29,Cc1cc(C(=O)N2CCCN(C(=O)NCc3cccs3)CC2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_93,yes,24%,success,,,"['success', 'Data processing fail']","['PHIPA-x11914', 'PHIPA-x12400']","['2.26', '']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
786,3.5,it3.5_AM-03_Imid-04_CA-30,AM-03-Imid-04-CA-30,O=C(NCc1cccs1)N1CCCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_94,yes,13%,success,,,['success'],['PHIPA-x11915'],['1.2'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
787,3.5,it3.5_AM-03_Imid-04_CA-31,AM-03-Imid-04-CA-31,O=C(NCc1cccs1)N1CCCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_95,yes,20%,success,,,['success'],['PHIPA-x11916'],['1.17'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
788,3.5,it3.5_AM-03_Imid-04_CA-32,AM-03-Imid-04-CA-32,O=C(NCc1cccs1)N1CCCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_96,yes,22%,success,*weak,,['success'],['PHIPA-x11917'],['1.18'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,success,,,,
789,3.5,it3.5_AM-04_Imid-04_CA-01,AM-04-Imid-04-CA-01,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_97,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,fail,,,,
790,3.5,it3.5_AM-04_Imid-04_CA-02,AM-04-Imid-04-CA-02,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_98,Trace,Trace,trace,*weak,,['success'],['PHIPA-x11835'],['1.21'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,trace,,,,
791,3.5,it3.5_AM-04_Imid-04_CA-03,AM-04-Imid-04-CA-03,Cc1ccc(C(=O)N2CCCN(C(=O)NCC(F)(F)F)CC2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_99,yes,15%,success,,,['success'],['PHIPA-x11918'],['1.41'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
792,3.5,it3.5_AM-04_Imid-04_CA-04,AM-04-Imid-04-CA-04,Cn1nccc1C(=O)N1CCCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_100,Trace,Trace,trace,*very weak product peak,,['success'],['PHIPA-x11836'],['1.58'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,trace,,,,
793,3.5,it3.5_AM-04_Imid-04_CA-05,AM-04-Imid-04-CA-05,COc1cccc(OC)c1C(=O)N1CCCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_101,Trace,Trace,trace,*Large unknown peak dwarves the product,,['Data processing fail'],['Fail Mount'],[''],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,trace,,,,
794,3.5,it3.5_AM-04_Imid-04_CA-06,AM-04-Imid-04-CA-06,Cn1cnc(C(=O)N2CCCN(C(=O)NCC(F)(F)F)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_102,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,fail,,,,
795,3.5,it3.5_AM-04_Imid-04_CA-07,AM-04-Imid-04-CA-07,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_103,yes,9%,success,*very weak,,['Data processing fail'],['Fail Mount'],[''],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
796,3.5,it3.5_AM-04_Imid-04_CA-08,AM-04-Imid-04-CA-08,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_104,yes,15%,success,*Large unknown peak dwarves the product,,['success'],['PHIPA-x11919'],['1.09'],yes,['PHIPA-x11919'],['under 5S9G'],['SM'],['O=C(O)c(cc1)cc2c1ncs2'],['ok'],['SM - ok'],AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,success,,,,
797,3.5,it3.5_AM-04_Imid-04_CA-09,AM-04-Imid-04-CA-09,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_105,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
798,3.5,it3.5_AM-04_Imid-04_CA-10,AM-04-Imid-04-CA-10,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_106,yes,71%,success,*mass in the solvent front,,"['success', 'Data processing fail']","['PHIPA-x11920', 'Fail Mount']","['1.61', '']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,success,,,,
799,3.5,it3.5_AM-04_Imid-04_CA-11,AM-04-Imid-04-CA-11,Cc1cccc(C(=O)N2CCCN(C(=O)NCC(F)(F)F)CC2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_107,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12416'],['1.75'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
800,3.5,it3.5_AM-04_Imid-04_CA-12,AM-04-Imid-04-CA-12,O=C(Cc1ccccc1)N1CCCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_108,yes,7%,success,*weak,,['success'],['PHIPA-x11837'],['1.35'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
801,3.5,it3.5_AM-04_Imid-04_CA-13,AM-04-Imid-04-CA-13,Cc1ccc(C(=O)N2CCCN(C(=O)NCC(F)(F)F)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_109,yes,83%,success,,,['success'],['PHIPA-x11921'],['1.51'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
802,3.5,it3.5_AM-04_Imid-04_CA-14,AM-04-Imid-04-CA-14,Cn1cccc1C(=O)N1CCCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_110,yes,6%,success,*very large unknown peak,,['success'],['PHIPA-x11838'],['1.12'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
803,3.5,it3.5_AM-04_Imid-04_CA-15,AM-04-Imid-04-CA-15,COc1cccc(C(=O)N2CCCN(C(=O)NCC(F)(F)F)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_111,yes,75%,success,*chance the product is under a bigger peak (might be tailing somewhat),,['success'],['PHIPA-x11922'],['1.54'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
804,3.5,it3.5_AM-04_Imid-04_CA-16,AM-04-Imid-04-CA-16,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_112,yes,4%,success,*very large unknown peak,,['Data processing fail'],['Fail Mount'],[''],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,success,,,,
805,3.5,it3.5_AM-04_Imid-04_CA-17,AM-04-Imid-04-CA-17,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_113,yes,7%,success,,,['success'],['PHIPA-x11839'],['1.17'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
806,3.5,it3.5_AM-04_Imid-04_CA-18,AM-04-Imid-04-CA-18,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_114,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,fail,,,,
807,3.5,it3.5_AM-04_Imid-04_CA-19,AM-04-Imid-04-CA-19,O=C(C#Cc1ccccc1)N1CCCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_115,yes,27%,success,,,['success'],['PHIPA-x11923'],['1.09'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
808,3.5,it3.5_AM-04_Imid-04_CA-20,AM-04-Imid-04-CA-20,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_116,yes,5%,success,*weak,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11840', 'Fail Mount']","['', '']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
809,3.5,it3.5_AM-04_Imid-04_CA-21,AM-04-Imid-04-CA-21,CC(C)(C)OC(=O)NCC(=O)N1CCCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_117,yes,6%,success,*weak,,['success'],['PHIPA-x11841'],['1.09'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
810,3.5,it3.5_AM-04_Imid-04_CA-22,AM-04-Imid-04-CA-22,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_118,yes,13%,success,*weak,,"['success', 'Data processing fail']","['PHIPA-x11924', 'Fail Mount']","['1.73', '']",yes,['PHIPA-x11924'],[''],['product'],['O=C(NCC(F)(F)F)N1CCCN(C(=O)c2ccoc2)CC1'],['weak'],['too weak'],AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
811,3.5,it3.5_AM-04_Imid-04_CA-23,AM-04-Imid-04-CA-23,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_119,yes,12%,success,*weak,,['success'],['PHIPA-x11925'],['1.36'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
812,3.5,it3.5_AM-04_Imid-04_CA-24,AM-04-Imid-04-CA-24,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_120,yes,19%,success,*weak,,['success'],['PHIPA-x11926'],['1.09'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,success,,,,
813,3.5,it3.5_AM-04_Imid-04_CA-25,AM-04-Imid-04-CA-25,Cc1ccc(C(=O)N2CCCN(C(=O)NCC(F)(F)F)CC2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_121,yes,17%,success,,,['success'],['PHIPA-x11927'],['1.09'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
814,3.5,it3.5_AM-04_Imid-04_CA-26,AM-04-Imid-04-CA-26,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_122,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
815,3.5,it3.5_AM-04_Imid-04_CA-27,AM-04-Imid-04-CA-27,Cc1occc1C(=O)N1CCCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_123,yes,13%,success,,,['success'],['PHIPA-x11928'],['1.16'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
816,3.5,it3.5_AM-04_Imid-04_CA-28,AM-04-Imid-04-CA-28,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_124,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
817,3.5,it3.5_AM-04_Imid-04_CA-29,AM-04-Imid-04-CA-29,Cc1cc(C(=O)N2CCCN(C(=O)NCC(F)(F)F)CC2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_125,yes,9%,success,*very large unknown peak,,['success'],['PHIPA-x11842'],['1.22'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
818,3.5,it3.5_AM-04_Imid-04_CA-30,AM-04-Imid-04-CA-30,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_126,yes,10%,success,*very large unknown peak,,['success'],['PHIPA-x11843'],['1.09'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
819,3.5,it3.5_AM-04_Imid-04_CA-31,AM-04-Imid-04-CA-31,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_127,No,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
820,3.5,it3.5_AM-04_Imid-04_CA-32,AM-04-Imid-04-CA-32,O=C(NCC(F)(F)F)N1CCCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_128,yes,44%,success,,,['success'],['PHIPA-x11929'],['1.09'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,success,,,,
821,3.5,it3.5_AM-05_Imid-04_CA-01,AM-05-Imid-04-CA-01,O=C(NCc1cccnc1)N1CCCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_129,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,fail,,,,
822,3.5,it3.5_AM-05_Imid-04_CA-02,AM-05-Imid-04-CA-02,O=C(NCc1cccnc1)N1CCCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_130,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,fail,,,,
823,3.5,it3.5_AM-05_Imid-04_CA-03,AM-05-Imid-04-CA-03,Cc1ccc(C(=O)N2CCCN(C(=O)NCc3cccnc3)CC2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_131,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,fail,,,,
824,3.5,it3.5_AM-05_Imid-04_CA-04,AM-05-Imid-04-CA-04,Cn1nccc1C(=O)N1CCCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_132,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,fail,,,,
825,3.5,it3.5_AM-05_Imid-04_CA-05,AM-05-Imid-04-CA-05,COc1cccc(OC)c1C(=O)N1CCCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_133,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
826,3.5,it3.5_AM-05_Imid-04_CA-06,AM-05-Imid-04-CA-06,Cn1cnc(C(=O)N2CCCN(C(=O)NCc3cccnc3)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_134,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,fail,,,,
827,3.5,it3.5_AM-05_Imid-04_CA-07,AM-05-Imid-04-CA-07,O=C(NCc1cccnc1)N1CCCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_135,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,fail,,,,
828,3.5,it3.5_AM-05_Imid-04_CA-08,AM-05-Imid-04-CA-08,O=C(NCc1cccnc1)N1CCCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_136,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,fail,,,,
829,3.5,it3.5_AM-05_Imid-04_CA-09,AM-05-Imid-04-CA-09,O=C(NCc1cccnc1)N1CCCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_137,no,0%,fail,*side reaction,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
830,3.5,it3.5_AM-05_Imid-04_CA-10,AM-05-Imid-04-CA-10,O=C(NCc1cccnc1)N1CCCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_138,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
831,3.5,it3.5_AM-05_Imid-04_CA-11,AM-05-Imid-04-CA-11,Cc1cccc(C(=O)N2CCCN(C(=O)NCc3cccnc3)CC2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_139,to fill,to fill,to fill,to fill,to fill,"['success', 'success']","['PHIPA-x11844', 'PHIPA-x12417']","['1.29', '1.19']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
832,3.5,it3.5_AM-05_Imid-04_CA-12,AM-05-Imid-04-CA-12,O=C(Cc1ccccc1)N1CCCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_140,yes (in the solvent front),n/a,success,,,"['success', 'success']","['PHIPA-x11845', 'PHIPA-x12405']","['1.93', '1.26']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
833,3.5,it3.5_AM-05_Imid-04_CA-13,AM-05-Imid-04-CA-13,Cc1ccc(C(=O)N2CCCN(C(=O)NCc3cccnc3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_141,yes (in the solvent front),n/a,success,,,['success'],['PHIPA-x11846'],['1.26'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
834,3.5,it3.5_AM-05_Imid-04_CA-14,AM-05-Imid-04-CA-14,Cn1cccc1C(=O)N1CCCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_142,Trace mass in solvent front,Trace,success,*weak mass ion in solvent front,,['success'],['PHIPA-x11847'],['1.12'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
835,3.5,it3.5_AM-05_Imid-04_CA-15,AM-05-Imid-04-CA-15,COc1cccc(C(=O)N2CCCN(C(=O)NCc3cccnc3)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_143,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,fail,,,,
836,3.5,it3.5_AM-05_Imid-04_CA-16,AM-05-Imid-04-CA-16,O=C(NCc1cccnc1)N1CCCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_144,,,N/D,,,['success'],['PHIPA-x11848'],['1.43'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,N/D,,,,
837,3.5,it3.5_AM-05_Imid-04_CA-17,AM-05-Imid-04-CA-17,O=C(NCc1cccnc1)N1CCCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_145,Unknown (no m/s of the single peak),n/a,no ms,*One broad peak but no m/s of it,,"['success', 'success']","['PHIPA-x11849', 'PHIPA-x12408']","['1.67', '1.83']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,no ms,,,,
838,3.5,it3.5_AM-05_Imid-04_CA-18,AM-05-Imid-04-CA-18,O=C(NCc1cccnc1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_146,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,fail,,,,
839,3.5,it3.5_AM-05_Imid-04_CA-19,AM-05-Imid-04-CA-19,O=C(C#Cc1ccccc1)N1CCCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_147,Unknown (single peak but the mass range is too low),n/a,no ms,,,['success'],['PHIPA-x11850'],['1.24'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,no ms,,,,
840,3.5,it3.5_AM-05_Imid-04_CA-20,AM-05-Imid-04-CA-20,O=C(NCc1cccnc1)N1CCCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_148,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,fail,,,,
841,3.5,it3.5_AM-05_Imid-04_CA-21,AM-05-Imid-04-CA-21,CC(C)(C)OC(=O)NCC(=O)N1CCCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_149,yes (in the solvent front),n/a,success,,,['success'],['PHIPA-x11851'],['1.15'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
842,3.5,it3.5_AM-05_Imid-04_CA-22,AM-05-Imid-04-CA-22,O=C(NCc1cccnc1)N1CCCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_150,yes (in the solvent front),n/a,success,,,['success'],['PHIPA-x11852'],['1.09'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
843,3.5,it3.5_AM-05_Imid-04_CA-23,AM-05-Imid-04-CA-23,O=C(NCc1cccnc1)N1CCCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_151,yes (in the solvent front),n/a,success,,,['success'],['PHIPA-x11853'],['1.33'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
844,3.5,it3.5_AM-05_Imid-04_CA-24,AM-05-Imid-04-CA-24,O=C(NCc1cccnc1)N1CCCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_152,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,fail,,,,
845,3.5,it3.5_AM-05_Imid-04_CA-25,AM-05-Imid-04-CA-25,Cc1ccc(C(=O)N2CCCN(C(=O)NCc3cccnc3)CC2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_153,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
846,3.5,it3.5_AM-05_Imid-04_CA-26,AM-05-Imid-04-CA-26,O=C(NCc1cccnc1)N1CCCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_154,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
847,3.5,it3.5_AM-05_Imid-04_CA-27,AM-05-Imid-04-CA-27,Cc1occc1C(=O)N1CCCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_155,Unknown (single peak but no m/s),n/a,no ms,,,['success'],['PHIPA-x11854'],['1.09'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,no ms,,,,
848,3.5,it3.5_AM-05_Imid-04_CA-28,AM-05-Imid-04-CA-28,O=C(NCc1cccnc1)N1CCCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_156,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
849,3.5,it3.5_AM-05_Imid-04_CA-29,AM-05-Imid-04-CA-29,Cc1cc(C(=O)N2CCCN(C(=O)NCc3cccnc3)CC2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_157,yes (in the solvent front),n/a,success,,,['success'],['PHIPA-x11855'],['1.17'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
850,3.5,it3.5_AM-05_Imid-04_CA-30,AM-05-Imid-04-CA-30,O=C(NCc1cccnc1)N1CCCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_158,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
851,3.5,it3.5_AM-05_Imid-04_CA-31,AM-05-Imid-04-CA-31,O=C(NCc1cccnc1)N1CCCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_159,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
852,3.5,it3.5_AM-05_Imid-04_CA-32,AM-05-Imid-04-CA-32,O=C(NCc1cccnc1)N1CCCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_160,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,fail,,,,
853,3.5,it3.5_AM-06_Imid-04_CA-01,AM-06-Imid-04-CA-01,COc1ccc(NC(=O)N2CCCN(C(=O)c3scc4c3OCCO4)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_161,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,fail,,,,
854,3.5,it3.5_AM-06_Imid-04_CA-02,AM-06-Imid-04-CA-02,COc1ccc(NC(=O)N2CCCN(C(=O)c3cocn3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_162,yes,21%,success,,,['success'],['PHIPA-x11930'],['1.2'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
855,3.5,it3.5_AM-06_Imid-04_CA-03,AM-06-Imid-04-CA-03,COc1ccc(NC(=O)N2CCCN(C(=O)c3ccc(C)c(N)c3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_163,Unknown (not all peaks have m/s),n/a,no ms,*Not sure,,['success'],['PHIPA-x11856'],['1.09'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,no ms,,,,
856,3.5,it3.5_AM-06_Imid-04_CA-04,AM-06-Imid-04-CA-04,COc1ccc(NC(=O)N2CCCN(C(=O)c3ccnn3C)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_164,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,fail,,,,
857,3.5,it3.5_AM-06_Imid-04_CA-05,AM-06-Imid-04-CA-05,COc1ccc(NC(=O)N2CCCN(C(=O)c3c(OC)cccc3OC)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_165,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
858,3.5,it3.5_AM-06_Imid-04_CA-06,AM-06-Imid-04-CA-06,COc1ccc(NC(=O)N2CCCN(C(=O)c3cn(C)cn3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_166,yes (in the solvent front),n/a,success,,,['success'],['PHIPA-x11857'],['1.12'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,success,,,,
859,3.5,it3.5_AM-06_Imid-04_CA-07,AM-06-Imid-04-CA-07,COc1ccc(NC(=O)N2CCCN(C(=O)c3ccccn3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_167,yes,19%,success,*quite weak,,['success'],['PHIPA-x11931'],['1.28'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
860,3.5,it3.5_AM-06_Imid-04_CA-08,AM-06-Imid-04-CA-08,COc1ccc(NC(=O)N2CCCN(C(=O)c3ccc4ncsc4c3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_168,yes,10%,success,,,['success'],['PHIPA-x11858'],['1.12'],yes,['PHIPA-x11858'],['under 5S9G'],['SM'],['O=C(O)c1ccc2ncsc2c1'],['clear'],['SM bound not merged'],AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,success,,,,
861,3.5,it3.5_AM-06_Imid-04_CA-09,AM-06-Imid-04-CA-09,COc1ccc(NC(=O)N2CCCN(C(=O)c3ccccc3O)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_169,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
862,3.5,it3.5_AM-06_Imid-04_CA-10,AM-06-Imid-04-CA-10,COc1ccc(NC(=O)N2CCCN(C(=O)c3c[nH]cn3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_170,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
863,3.5,it3.5_AM-06_Imid-04_CA-11,AM-06-Imid-04-CA-11,COc1ccc(NC(=O)N2CCCN(C(=O)c3cccc(C)c3N)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_171,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12418'],['1.41'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
864,3.5,it3.5_AM-06_Imid-04_CA-12,AM-06-Imid-04-CA-12,COc1ccc(NC(=O)N2CCCN(C(=O)Cc3ccccc3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_172,yes,18%,success,,,"['success', 'success']","['PHIPA-x11932', 'PHIPA-x12409']","['1.6', '1.82']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
865,3.5,it3.5_AM-06_Imid-04_CA-13,AM-06-Imid-04-CA-13,COc1ccc(NC(=O)N2CCCN(C(=O)c3ccc(C)cc3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_173,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,fail,,,,
866,3.5,it3.5_AM-06_Imid-04_CA-14,AM-06-Imid-04-CA-14,COc1ccc(NC(=O)N2CCCN(C(=O)c3cccn3C)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_174,yes,9%,success,*weak,,"['success', 'success']","['PHIPA-x11859', 'PHIPA-x12404']","['1.94', '1.38']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
867,3.5,it3.5_AM-06_Imid-04_CA-15,AM-06-Imid-04-CA-15,COc1ccc(NC(=O)N2CCCN(C(=O)c3cccc(OC)c3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_175,yes,9%,success,*Large peak nearby,,['success'],['PHIPA-x11860'],['1.14'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
868,3.5,it3.5_AM-06_Imid-04_CA-16,AM-06-Imid-04-CA-16,COc1ccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_176,yes,12%,success,,,['success'],['PHIPA-x11933'],['1.13'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,success,,,,
869,3.5,it3.5_AM-06_Imid-04_CA-17,AM-06-Imid-04-CA-17,COc1ccc(NC(=O)N2CCCN(C(=O)c3cncc(Br)c3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_177,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,fail,,,,
870,3.5,it3.5_AM-06_Imid-04_CA-18,AM-06-Imid-04-CA-18,COc1ccc(NC(=O)N2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_178,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,fail,,,,
871,3.5,it3.5_AM-06_Imid-04_CA-19,AM-06-Imid-04-CA-19,COc1ccc(NC(=O)N2CCCN(C(=O)C#Cc3ccccc3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_179,yes,18%,success,,,['success'],['PHIPA-x11934'],['1.37'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
872,3.5,it3.5_AM-06_Imid-04_CA-20,AM-06-Imid-04-CA-20,COc1ccc(NC(=O)N2CCCN(C(=O)c3ccco3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_180,yes,22%,success,,,['success'],['PHIPA-x11935'],['1.09'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
873,3.5,it3.5_AM-06_Imid-04_CA-21,AM-06-Imid-04-CA-21,COc1ccc(NC(=O)N2CCCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_181,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,fail,,,,
874,3.5,it3.5_AM-06_Imid-04_CA-22,AM-06-Imid-04-CA-22,COc1ccc(NC(=O)N2CCCN(C(=O)c3ccoc3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_182,yes,22%,success,*quite weak,,['success'],['PHIPA-x11936'],['1.36'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
875,3.5,it3.5_AM-06_Imid-04_CA-23,AM-06-Imid-04-CA-23,COc1ccc(NC(=O)N2CCCN(C(=O)c3cscn3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_183,yes,18%,success,*quite weak,,['success'],['PHIPA-x11937'],['1.44'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
876,3.5,it3.5_AM-06_Imid-04_CA-24,AM-06-Imid-04-CA-24,COc1ccc(NC(=O)N2CCCN(C(=O)c3ccno3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_184,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,fail,,,,
877,3.5,it3.5_AM-06_Imid-04_CA-25,AM-06-Imid-04-CA-25,COc1ccc(NC(=O)N2CCCN(C(=O)c3ccc(C)o3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_185,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
878,3.5,it3.5_AM-06_Imid-04_CA-26,AM-06-Imid-04-CA-26,COc1ccc(NC(=O)N2CCCN(C(=O)c3sccc3O)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_186,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
879,3.5,it3.5_AM-06_Imid-04_CA-27,AM-06-Imid-04-CA-27,COc1ccc(NC(=O)N2CCCN(C(=O)c3ccoc3C)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_187,yes,19%,success,,,['success'],['PHIPA-x11938'],['1.09'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
880,3.5,it3.5_AM-06_Imid-04_CA-28,AM-06-Imid-04-CA-28,COc1ccc(NC(=O)N2CCCN(C(=O)c3ncn[nH]3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_188,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
881,3.5,it3.5_AM-06_Imid-04_CA-29,AM-06-Imid-04-CA-29,COc1ccc(NC(=O)N2CCCN(C(=O)c3cc(C)c(C)o3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_189,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
882,3.5,it3.5_AM-06_Imid-04_CA-30,AM-06-Imid-04-CA-30,COc1ccc(NC(=O)N2CCCN(C(=O)c3sccc3F)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_190,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
883,3.5,it3.5_AM-06_Imid-04_CA-31,AM-06-Imid-04-CA-31,COc1ccc(NC(=O)N2CCCN(C(=O)c3ccc(Cl)o3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_191,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
884,3.5,it3.5_AM-06_Imid-04_CA-32,AM-06-Imid-04-CA-32,COc1ccc(NC(=O)N2CCCN(C(=O)c3ncco3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_192,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,fail,,,,
885,3.5,it3.5_AM-07_Imid-04_CA-01,AM-07-Imid-04-CA-01,CCCCNC(=O)N1CCCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_193,yes,50%,success,,,['success'],['PHIPA-x11939'],['1.09'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
886,3.5,it3.5_AM-07_Imid-04_CA-02,AM-07-Imid-04-CA-02,CCCCNC(=O)N1CCCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_194,yes,63%,success,,,['success'],['PHIPA-x11940'],['1.14'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
887,3.5,it3.5_AM-07_Imid-04_CA-03,AM-07-Imid-04-CA-03,CCCCNC(=O)N1CCCN(C(=O)c2ccc(C)c(N)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_195,yes,38%,success,,,['success'],['PHIPA-x11941'],['1.22'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
888,3.5,it3.5_AM-07_Imid-04_CA-04,AM-07-Imid-04-CA-04,CCCCNC(=O)N1CCCN(C(=O)c2ccnn2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_196,yes,36%,success,,,['success'],['PHIPA-x11942'],['1.38'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,success,,,,
889,3.5,it3.5_AM-07_Imid-04_CA-05,AM-07-Imid-04-CA-05,CCCCNC(=O)N1CCCN(C(=O)c2c(OC)cccc2OC)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_197,Trace,Trace,trace,*mass detected but huge by-product peak,,['success'],['PHIPA-x11861'],['1.24'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,trace,,,,
890,3.5,it3.5_AM-07_Imid-04_CA-06,AM-07-Imid-04-CA-06,CCCCNC(=O)N1CCCN(C(=O)c2cn(C)cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_198,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,fail,,,,
891,3.5,it3.5_AM-07_Imid-04_CA-07,AM-07-Imid-04-CA-07,CCCCNC(=O)N1CCCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_199,yes,46%,success,,,['success'],['PHIPA-x11943'],['1.09'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
892,3.5,it3.5_AM-07_Imid-04_CA-08,AM-07-Imid-04-CA-08,CCCCNC(=O)N1CCCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_200,yes,54%,success,,,['success'],['PHIPA-x11944'],['1.38'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,success,,,,
893,3.5,it3.5_AM-07_Imid-04_CA-09,AM-07-Imid-04-CA-09,CCCCNC(=O)N1CCCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_201,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
894,3.5,it3.5_AM-07_Imid-04_CA-10,AM-07-Imid-04-CA-10,CCCCNC(=O)N1CCCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_202,Trace (in the solvent front),Trace,trace,,,['success'],['PHIPA-x11862'],['1.13'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,trace,,,,
895,3.5,it3.5_AM-07_Imid-04_CA-11,AM-07-Imid-04-CA-11,CCCCNC(=O)N1CCCN(C(=O)c2cccc(C)c2N)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_203,to fill,to fill,to fill,to fill,to fill,"['success', 'success']","['PHIPA-x11945', 'PHIPA-x12420']","['1.26', '1.12']",no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
896,3.5,it3.5_AM-07_Imid-04_CA-12,AM-07-Imid-04-CA-12,CCCCNC(=O)N1CCCN(C(=O)Cc2ccccc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_204,yes,44%,success,,,['success'],['PHIPA-x11946'],['1.42'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
897,3.5,it3.5_AM-07_Imid-04_CA-13,AM-07-Imid-04-CA-13,CCCCNC(=O)N1CCCN(C(=O)c2ccc(C)cc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_205,yes,36%,success,,,['success'],['PHIPA-x11947'],['1.55'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
898,3.5,it3.5_AM-07_Imid-04_CA-14,AM-07-Imid-04-CA-14,CCCCNC(=O)N1CCCN(C(=O)c2cccn2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_206,yes,63%,success,,,['success'],['PHIPA-x11948'],['1.12'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
899,3.5,it3.5_AM-07_Imid-04_CA-15,AM-07-Imid-04-CA-15,CCCCNC(=O)N1CCCN(C(=O)c2cccc(OC)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_207,yes,35%,success,,,['success'],['PHIPA-x11949'],['1.09'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
900,3.5,it3.5_AM-07_Imid-04_CA-16,AM-07-Imid-04-CA-16,CCCCNC(=O)N1CCCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_208,yes,42%,success,,,"['success', 'success']","['PHIPA-x11950', 'PHIPA-x12402']","['2.08', '1.31']",no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,success,,,,
901,3.5,it3.5_AM-07_Imid-04_CA-17,AM-07-Imid-04-CA-17,CCCCNC(=O)N1CCCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_209,yes,57%,success,,,"['success', 'success']","['PHIPA-x11951', 'PHIPA-x12407']","['1.68', '1.67']",no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
902,3.5,it3.5_AM-07_Imid-04_CA-18,AM-07-Imid-04-CA-18,CCCCNC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_210,yes,57%,success,,,['success'],['PHIPA-x11952'],['1.27'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
903,3.5,it3.5_AM-07_Imid-04_CA-19,AM-07-Imid-04-CA-19,CCCCNC(=O)N1CCCN(C(=O)C#Cc2ccccc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_211,yes,49%,success,,,['success'],['PHIPA-x11953'],['1.09'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
904,3.5,it3.5_AM-07_Imid-04_CA-20,AM-07-Imid-04-CA-20,CCCCNC(=O)N1CCCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_212,yes,60%,success,,,['success'],['PHIPA-x11954'],['1.25'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
905,3.5,it3.5_AM-07_Imid-04_CA-21,AM-07-Imid-04-CA-21,CCCCNC(=O)N1CCCN(C(=O)CNC(=O)OC(C)(C)C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_213,yes,43%,success,,,['success'],['PHIPA-x11955'],['1.22'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
906,3.5,it3.5_AM-07_Imid-04_CA-22,AM-07-Imid-04-CA-22,CCCCNC(=O)N1CCCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_214,yes,59%,success,,,['success'],['PHIPA-x11956'],['1.53'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
907,3.5,it3.5_AM-07_Imid-04_CA-23,AM-07-Imid-04-CA-23,CCCCNC(=O)N1CCCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_215,yes,59%,success,,,"['success', 'success']","['PHIPA-x11957', 'PHIPA-x12401']","['2.12', '1.55']",no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
908,3.5,it3.5_AM-07_Imid-04_CA-24,AM-07-Imid-04-CA-24,CCCCNC(=O)N1CCCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_216,yes,31%,success,,,['success'],['PHIPA-x11958'],['1.53'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,success,,,,
909,3.5,it3.5_AM-07_Imid-04_CA-25,AM-07-Imid-04-CA-25,CCCCNC(=O)N1CCCN(C(=O)c2ccc(C)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_217,yes,80%,success,,,['success'],['PHIPA-x11959'],['1.16'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
910,3.5,it3.5_AM-07_Imid-04_CA-26,AM-07-Imid-04-CA-26,CCCCNC(=O)N1CCCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_218,Trace,Trace,trace,,,['success'],['PHIPA-x11863'],['1.16'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,trace,,,,
911,3.5,it3.5_AM-07_Imid-04_CA-27,AM-07-Imid-04-CA-27,CCCCNC(=O)N1CCCN(C(=O)c2ccoc2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_219,yes,66%,success,,,['success'],['PHIPA-x11960'],['1.28'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
912,3.5,it3.5_AM-07_Imid-04_CA-28,AM-07-Imid-04-CA-28,CCCCNC(=O)N1CCCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_220,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
913,3.5,it3.5_AM-07_Imid-04_CA-29,AM-07-Imid-04-CA-29,CCCCNC(=O)N1CCCN(C(=O)c2cc(C)c(C)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_221,yes,70%,success,,,['success'],['PHIPA-x11961'],['1.18'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
914,3.5,it3.5_AM-07_Imid-04_CA-30,AM-07-Imid-04-CA-30,CCCCNC(=O)N1CCCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_222,yes,45%,success,,,['success'],['PHIPA-x11962'],['1.24'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
915,3.5,it3.5_AM-07_Imid-04_CA-31,AM-07-Imid-04-CA-31,CCCCNC(=O)N1CCCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_223,yes,54%,success,,,['success'],['PHIPA-x11963'],['1.16'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
916,3.5,it3.5_AM-07_Imid-04_CA-32,AM-07-Imid-04-CA-32,CCCCNC(=O)N1CCCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_224,yes,71%,success,,,['success'],['PHIPA-x11964'],['1.14'],no,,,,,,,AM-07,CCCCN,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,success,,,,
917,3.5,it3.5_AM-08_Imid-04_CA-01,AM-08-Imid-04-CA-01,CC(C)NC(=O)N1CCCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_225,yes,18%,success,,,['success'],['PHIPA-x11965'],['1.5'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
918,3.5,it3.5_AM-08_Imid-04_CA-02,AM-08-Imid-04-CA-02,CC(C)NC(=O)N1CCCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_226,Yes (in the solvent front),Unknown,success,,,['success'],['PHIPA-x11864'],['1.35'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
919,3.5,it3.5_AM-08_Imid-04_CA-03,AM-08-Imid-04-CA-03,Cc1ccc(C(=O)N2CCCN(C(=O)NC(C)C)CC2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_227,Trace,Trace,trace,,,['success'],['PHIPA-x11865'],['1.12'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,trace,,,,
920,3.5,it3.5_AM-08_Imid-04_CA-04,AM-08-Imid-04-CA-04,CC(C)NC(=O)N1CCCN(C(=O)c2ccnn2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_228,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,fail,,,,
921,3.5,it3.5_AM-08_Imid-04_CA-05,AM-08-Imid-04-CA-05,COc1cccc(OC)c1C(=O)N1CCCN(C(=O)NC(C)C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_229,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
922,3.5,it3.5_AM-08_Imid-04_CA-06,AM-08-Imid-04-CA-06,CC(C)NC(=O)N1CCCN(C(=O)c2cn(C)cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_230,Trace (in solvent front),Trace,trace,,,['success'],['PHIPA-x11866'],['1.42'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,trace,,,,
923,3.5,it3.5_AM-08_Imid-04_CA-07,AM-08-Imid-04-CA-07,CC(C)NC(=O)N1CCCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_231,yes,18%,success,,,['success'],['PHIPA-x11966'],['1.25'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
924,3.5,it3.5_AM-08_Imid-04_CA-08,AM-08-Imid-04-CA-08,CC(C)NC(=O)N1CCCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_232,yes,31%,success,,,['success'],['PHIPA-x11967'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,success,,,,
925,3.5,it3.5_AM-08_Imid-04_CA-09,AM-08-Imid-04-CA-09,CC(C)NC(=O)N1CCCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_233,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
926,3.5,it3.5_AM-08_Imid-04_CA-10,AM-08-Imid-04-CA-10,CC(C)NC(=O)N1CCCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_234,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
927,3.5,it3.5_AM-08_Imid-04_CA-11,AM-08-Imid-04-CA-11,Cc1cccc(C(=O)N2CCCN(C(=O)NC(C)C)CC2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_235,to fill,to fill,to fill,to fill,to fill,"['success', 'success']","['PHIPA-x11968', 'PHIPA-x12421']","['1.09', '1.25']",no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
928,3.5,it3.5_AM-08_Imid-04_CA-12,AM-08-Imid-04-CA-12,CC(C)NC(=O)N1CCCN(C(=O)Cc2ccccc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_236,yes,17%,success,*close running peaks so could be 12%,,['success'],['PHIPA-x11969'],['1.27'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
929,3.5,it3.5_AM-08_Imid-04_CA-13,AM-08-Imid-04-CA-13,Cc1ccc(C(=O)N2CCCN(C(=O)NC(C)C)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_237,yes,27%,success,,,['success'],['PHIPA-x11970'],['1.14'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
930,3.5,it3.5_AM-08_Imid-04_CA-14,AM-08-Imid-04-CA-14,CC(C)NC(=O)N1CCCN(C(=O)c2cccn2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_238,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,fail,,,,
931,3.5,it3.5_AM-08_Imid-04_CA-15,AM-08-Imid-04-CA-15,COc1cccc(C(=O)N2CCCN(C(=O)NC(C)C)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_239,yes,50%,success,,,['success'],['PHIPA-x11971'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
932,3.5,it3.5_AM-08_Imid-04_CA-16,AM-08-Imid-04-CA-16,CC(C)NC(=O)N1CCCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_240,yes,16%,success,,,['success'],['PHIPA-x11972'],['1.21'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,success,,,,
933,3.5,it3.5_AM-08_Imid-04_CA-17,AM-08-Imid-04-CA-17,CC(C)NC(=O)N1CCCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_241,yes,22%,success,,,['success'],['PHIPA-x11973'],['1.13'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
934,3.5,it3.5_AM-08_Imid-04_CA-18,AM-08-Imid-04-CA-18,CC(C)NC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_242,Unknown (no ionisation of major peaks),Unknown,no ms,,,['success'],['PHIPA-x11867'],['1.16'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,no ms,,,,
935,3.5,it3.5_AM-08_Imid-04_CA-19,AM-08-Imid-04-CA-19,CC(C)NC(=O)N1CCCN(C(=O)C#Cc2ccccc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_243,yes,25%,success,,,['success'],['PHIPA-x11974'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
936,3.5,it3.5_AM-08_Imid-04_CA-20,AM-08-Imid-04-CA-20,CC(C)NC(=O)N1CCCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_244,yes,26%,success,,,['success'],['PHIPA-x11975'],['1.15'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
937,3.5,it3.5_AM-08_Imid-04_CA-21,AM-08-Imid-04-CA-21,CC(C)NC(=O)N1CCCN(C(=O)CNC(=O)OC(C)(C)C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_245,yes,30%,success,,,['success'],['PHIPA-x11976'],['1.42'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
938,3.5,it3.5_AM-08_Imid-04_CA-22,AM-08-Imid-04-CA-22,CC(C)NC(=O)N1CCCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_246,yes,27%,success,,,['success'],['PHIPA-x11977'],['1.45'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
939,3.5,it3.5_AM-08_Imid-04_CA-23,AM-08-Imid-04-CA-23,CC(C)NC(=O)N1CCCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_247,Trace,Trace,trace,,,['success'],['PHIPA-x11868'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,trace,,,,
940,3.5,it3.5_AM-08_Imid-04_CA-24,AM-08-Imid-04-CA-24,CC(C)NC(=O)N1CCCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_248,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,fail,,,,
941,3.5,it3.5_AM-08_Imid-04_CA-25,AM-08-Imid-04-CA-25,Cc1ccc(C(=O)N2CCCN(C(=O)NC(C)C)CC2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_249,yes,39%,success,,,['success'],['PHIPA-x11978'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
942,3.5,it3.5_AM-08_Imid-04_CA-26,AM-08-Imid-04-CA-26,CC(C)NC(=O)N1CCCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_250,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
943,3.5,it3.5_AM-08_Imid-04_CA-27,AM-08-Imid-04-CA-27,Cc1occc1C(=O)N1CCCN(C(=O)NC(C)C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_251,yes,25%,success,,,['success'],['PHIPA-x11979'],['1.17'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
944,3.5,it3.5_AM-08_Imid-04_CA-28,AM-08-Imid-04-CA-28,CC(C)NC(=O)N1CCCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_252,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
945,3.5,it3.5_AM-08_Imid-04_CA-29,AM-08-Imid-04-CA-29,Cc1cc(C(=O)N2CCCN(C(=O)NC(C)C)CC2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_253,yes,22%,success,,,['success'],['PHIPA-x11980'],['1.12'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
946,3.5,it3.5_AM-08_Imid-04_CA-30,AM-08-Imid-04-CA-30,CC(C)NC(=O)N1CCCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_254,yes,21%,success,,,"['Data processing fail', 'success']","['PHIPA-x11981', 'PHIPA-x12413']","['', '1.31']",no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
947,3.5,it3.5_AM-08_Imid-04_CA-31,AM-08-Imid-04-CA-31,CC(C)NC(=O)N1CCCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_255,yes,24%,success,,,['success'],['PHIPA-x11982'],['1.38'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
948,3.5,it3.5_AM-08_Imid-04_CA-32,AM-08-Imid-04-CA-32,CC(C)NC(=O)N1CCCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_04,it3.5-final-series4-amide_256,yes,32%,success,,,['success'],['PHIPA-x11983'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-04,O=C(N1CCN(C(OC(C)(C)C)=O)CCC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,success,,,,
949,3.5,it3.5_AM-01_Imid-03_CA-01,AM-01-Imid-03-CA-01,COCCNC(=O)N1CCN(C(=O)c2scc3c2OCCO3)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_1,yes,90%,success,,,['success'],['PHIPA-x11464'],['1.09'],no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
950,3.5,it3.5_AM-01_Imid-03_CA-02,AM-01-Imid-03-CA-02,COCCNC(=O)N1CCN(C(=O)c2cocn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_2,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,fail,,,,
951,3.5,it3.5_AM-01_Imid-03_CA-03,AM-01-Imid-03-CA-03,COCCNC(=O)N1CCN(C(=O)c2ccc(C)c(N)c2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_3,Trace,Trace,trace,*Large peak near solvent peak means the remainder of the spectrum is very weak,,['success'],['PHIPA-x11713'],['1.2'],no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,trace,,,,
952,3.5,it3.5_AM-01_Imid-03_CA-04,AM-01-Imid-03-CA-04,COCCNC(=O)N1CCN(C(=O)c2ccnn2C)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_4,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,fail,,,,
953,3.5,it3.5_AM-01_Imid-03_CA-05,AM-01-Imid-03-CA-05,COCCNC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_5,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
954,3.5,it3.5_AM-01_Imid-03_CA-06,AM-01-Imid-03-CA-06,COCCNC(=O)N1CCN(C(=O)c2cn(C)cn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_6,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,fail,,,,
955,3.5,it3.5_AM-01_Imid-03_CA-07,AM-01-Imid-03-CA-07,COCCNC(=O)N1CCN(C(=O)c2ccccn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_7,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,fail,,,,
956,3.5,it3.5_AM-01_Imid-03_CA-08,AM-01-Imid-03-CA-08,COCCNC(=O)N1CCN(C(=O)c2ccc3ncsc3c2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_8,yes,82%,success,,,"['success', 'success', 'success', 'success']","['PHIPA-x11465', 'PHIPA-x11794', 'PHIPA-x12387', 'PHIPA-x12389']","['1.99', '1.09', '1.27', '1.25']",yes,"['PHIPA-x11465', 'PHIPA-x11794', 'PHIPA-x12387']","['under 5S9G', 'under 5S9G', 'under 5S9G']","['SM', 'SM', 'SM']","['O=C(O)c1ccc2ncsc2c1', 'O=C(O)c1ccc2ncsc2c1', 'COCCNC(=O)N1CCN(C(=O)c2ccc3ncsc3c2)C(C)C1']","['ok', 'ok', 'ok']","['SM bound - very weak not merged', 'SM bound not merged', 'SM - ok']",AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,success,,,,
957,3.5,it3.5_AM-01_Imid-03_CA-09,AM-01-Imid-03-CA-09,COCCNC(=O)N1CCN(C(=O)c2ccccc2O)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_9,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
958,3.5,it3.5_AM-01_Imid-03_CA-10,AM-01-Imid-03-CA-10,COCCNC(=O)N1CCN(C(=O)c2c[nH]cn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_10,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
959,3.5,it3.5_AM-01_Imid-03_CA-11,AM-01-Imid-03-CA-11,COCCNC(=O)N1CCN(C(=O)c2cccc(C)c2N)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_11,to fill,to fill,to fill,to fill,to fill,"['success', 'success']","['PHIPA-x11714', 'PHIPA-x12392']","['1.17', '1.17']",no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
960,3.5,it3.5_AM-01_Imid-03_CA-12,AM-01-Imid-03-CA-12,COCCNC(=O)N1CCN(C(=O)Cc2ccccc2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_12,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,fail,,,,
961,3.5,it3.5_AM-01_Imid-03_CA-13,AM-01-Imid-03-CA-13,COCCNC(=O)N1CCN(C(=O)c2ccc(C)cc2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_13,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,fail,,,,
962,3.5,it3.5_AM-01_Imid-03_CA-14,AM-01-Imid-03-CA-14,COCCNC(=O)N1CCN(C(=O)c2cccn2C)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_14,Unknown - one main peak but ionisation range is below the product mass,94%(Major peak),no ms,,,['success'],['PHIPA-x11715'],['1.58'],no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,no ms,,,,
963,3.5,it3.5_AM-01_Imid-03_CA-15,AM-01-Imid-03-CA-15,COCCNC(=O)N1CCN(C(=O)c2cccc(OC)c2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_15,yes,87%,success,,,['success'],['PHIPA-x11466'],['1.1'],no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
964,3.5,it3.5_AM-01_Imid-03_CA-16,AM-01-Imid-03-CA-16,COCCNC(=O)N1CCN(C(=O)c2cccs2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_16,yes,90%,success,,,['success'],['PHIPA-x11467'],['1.2'],no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,success,,,,
965,3.5,it3.5_AM-01_Imid-03_CA-17,AM-01-Imid-03-CA-17,COCCNC(=O)N1CCN(C(=O)c2cncc(Br)c2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_17,Unknown - one main peak but ionisation range is below the product mass,90%(major peak),no ms,*one major peak but not sure if product or by-product/sm,,"['success', 'Data processing fail', 'success']","['PHIPA-x11716', 'Fail Mount', 'PHIPA-x12391']","['1.39', '', '1.67']",yes,['PHIPA-x11716'],['under 5S98'],['SM'],['O=C(O)c1cncc(Br)c1'],['ok'],['SM weakly bound'],AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,no ms,,,,
966,3.5,it3.5_AM-01_Imid-03_CA-18,AM-01-Imid-03-CA-18,COCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_18,Trace,Trace,trace,*mass in small peak but a large peak at the solvent front dominates the spectra (no m/s of this),,['success'],['PHIPA-x11717'],['1.1'],no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,trace,,,,
967,3.5,it3.5_AM-01_Imid-03_CA-19,AM-01-Imid-03-CA-19,COCCNC(=O)N1CCN(C(=O)C#Cc2ccccc2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_19,yes,90%,success,,,['success'],['PHIPA-x11468'],['1.3'],no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
968,3.5,it3.5_AM-01_Imid-03_CA-20,AM-01-Imid-03-CA-20,COCCNC(=O)N1CCN(C(=O)c2ccco2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_20,yes,1%,success,*mass in small peak but a large peak at the solvent front dominates the spectra (no m/s of this),,"['Data processing fail', 'Data processing fail']","['PHIPA-x11718', 'PHIPA-x12367']","['', '']",no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
969,3.5,it3.5_AM-01_Imid-03_CA-21,AM-01-Imid-03-CA-21,COCCNC(=O)N1CCN(C(=O)CNC(=O)OC(C)(C)C)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_21,yes,7%,success,very weak,,['success'],['PHIPA-x11719'],['1.29'],no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
970,3.5,it3.5_AM-01_Imid-03_CA-22,AM-01-Imid-03-CA-22,COCCNC(=O)N1CCN(C(=O)c2ccoc2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_22,trace,trace,trace,*mass in small peak but a large peak at the solvent front dominates the spectra (no m/s of this),,['success'],['PHIPA-x11720'],['1.38'],no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,trace,,,,
971,3.5,it3.5_AM-01_Imid-03_CA-23,AM-01-Imid-03-CA-23,COCCNC(=O)N1CCN(C(=O)c2cscn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_23,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,fail,,,,
972,3.5,it3.5_AM-01_Imid-03_CA-24,AM-01-Imid-03-CA-24,COCCNC(=O)N1CCN(C(=O)c2ccno2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_24,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,fail,,,,
973,3.5,it3.5_AM-01_Imid-03_CA-25,AM-01-Imid-03-CA-25,COCCNC(=O)N1CCN(C(=O)c2ccc(C)o2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_25,yes,88%,success,,,"['success', 'Data processing fail', 'Data processing fail']","['PHIPA-x11469', 'PHIPA-x11795', 'PHIPA-x12380']","['3.34', '', '']",no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
974,3.5,it3.5_AM-01_Imid-03_CA-26,AM-01-Imid-03-CA-26,COCCNC(=O)N1CCN(C(=O)c2sccc2O)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_26,no,0%,fail,*messy and not all peaks have m/s - but if its worked its a poor yield,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
975,3.5,it3.5_AM-01_Imid-03_CA-27,AM-01-Imid-03-CA-27,COCCNC(=O)N1CCN(C(=O)c2ccoc2C)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_27,yes,72%,success,,,['success'],['PHIPA-x11470'],['1.18'],no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
976,3.5,it3.5_AM-01_Imid-03_CA-28,AM-01-Imid-03-CA-28,COCCNC(=O)N1CCN(C(=O)c2ncn[nH]2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_28,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
977,3.5,it3.5_AM-01_Imid-03_CA-29,AM-01-Imid-03-CA-29,COCCNC(=O)N1CCN(C(=O)c2cc(C)c(C)o2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_29,yes,76%,success,,,['success'],['PHIPA-x11471'],['1.52'],no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
978,3.5,it3.5_AM-01_Imid-03_CA-30,AM-01-Imid-03-CA-30,COCCNC(=O)N1CCN(C(=O)c2sccc2F)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_30,yes,n/a,success,*mass in small peak but a large peak at the solvent front dominates the spectra (no m/s of this),,"['Data processing fail', 'Data processing fail']","['PHIPA-x11721', 'PHIPA-x12368']","['', '']",no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
979,3.5,it3.5_AM-01_Imid-03_CA-31,AM-01-Imid-03-CA-31,COCCNC(=O)N1CCN(C(=O)c2ccc(Cl)o2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_31,yes,92%,success,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11472', 'Fail Mount']","['', '']",no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
980,3.5,it3.5_AM-01_Imid-03_CA-32,AM-01-Imid-03-CA-32,COCCNC(=O)N1CCN(C(=O)c2ncco2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_32,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,fail,,,,
981,3.5,it3.5_AM-02_Imid-03_CA-01,AM-02-Imid-03-CA-01,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1scc2c1OCCO2,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_33,yes,86%,success,,,['success'],['PHIPA-x11473'],['1.1'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
982,3.5,it3.5_AM-02_Imid-03_CA-02,AM-02-Imid-03-CA-02,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1cocn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_34,yes,22%,success,weak,,['success'],['PHIPA-x11474'],['1.43'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
983,3.5,it3.5_AM-02_Imid-03_CA-03,AM-02-Imid-03-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2C)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_35,Unknown - large peak at the solvent front so no m/s of the other weak peaks,N/a,no ms,*one major peak at the front prevented any ionisation of the other peaks of interest,,['success'],['PHIPA-x11722'],['1.17'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,no ms,,,,
984,3.5,it3.5_AM-02_Imid-03_CA-04,AM-02-Imid-03-CA-04,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1ccnn1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_36,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,fail,,,,
985,3.5,it3.5_AM-02_Imid-03_CA-05,AM-02-Imid-03-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCC2CC2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_37,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
986,3.5,it3.5_AM-02_Imid-03_CA-06,AM-02-Imid-03-CA-06,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1cn(C)cn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_38,yes (mass in solvent front),n/a,success,*mass present in the solvent front but not sure if there is actually much product,,['success'],['PHIPA-x11723'],['1.09'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,success,,,,
987,3.5,it3.5_AM-02_Imid-03_CA-07,AM-02-Imid-03-CA-07,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1ccccn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_39,yes,20%,success,*weak,,['success'],['PHIPA-x11475'],['1.15'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
988,3.5,it3.5_AM-02_Imid-03_CA-08,AM-02-Imid-03-CA-08,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1ccc2ncsc2c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_40,yes,76%,success,,,"['success', 'success']","['PHIPA-x11476', 'PHIPA-x11796']","['1.76', '1.27']",yes,"['PHIPA-x11476', 'PHIPA-x11796']","['under 5S9G', 'under 5S9G']","['SM', 'SM']","['O=C(O)c1ccc2ncsc2c1', 'O=C(O)c1ccc2ncsc2c1']","['ok', 'ok']","['SM bound - not merged', 'SM bound not merged']",AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,success,,,,
989,3.5,it3.5_AM-02_Imid-03_CA-09,AM-02-Imid-03-CA-09,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1ccccc1O,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_41,Unknown - one main peak but ionisation range is below the product mass,92%(major peak),no ms,*one major peak but not sure if product or by-product/sm,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11724', 'PHIPA-x12369']","['', '']",no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,no ms,,,,
990,3.5,it3.5_AM-02_Imid-03_CA-10,AM-02-Imid-03-CA-10,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1c[nH]cn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_42,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
991,3.5,it3.5_AM-02_Imid-03_CA-11,AM-02-Imid-03-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2C)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_43,to fill,to fill,to fill,to fill,to fill,"['success', 'success']","['PHIPA-x11725', 'PHIPA-x12393']","['1.53', '1.16']",no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
992,3.5,it3.5_AM-02_Imid-03_CA-12,AM-02-Imid-03-CA-12,CC1CN(C(=O)NCC2CC2)CCN1C(=O)Cc1ccccc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_44,yes,8%,success,,,['success'],['PHIPA-x11726'],['1.41'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
993,3.5,it3.5_AM-02_Imid-03_CA-13,AM-02-Imid-03-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_45,yes,81%,success,,,['success'],['PHIPA-x11477'],['1.47'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
994,3.5,it3.5_AM-02_Imid-03_CA-14,AM-02-Imid-03-CA-14,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1cccn1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_46,yes,94%,success,,,['success'],['PHIPA-x11478'],['1.26'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
995,3.5,it3.5_AM-02_Imid-03_CA-15,AM-02-Imid-03-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2C)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_47,yes,83%,success,,,['success'],['PHIPA-x11479'],['1.34'],yes,['PHIPA-x11479'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound'],AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
996,3.5,it3.5_AM-02_Imid-03_CA-16,AM-02-Imid-03-CA-16,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_48,Unknown - one main peak but no ionisation,94% (Major peak),no ms,,,['success'],['PHIPA-x11727'],['1.25'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,no ms,,,,
997,3.5,it3.5_AM-02_Imid-03_CA-17,AM-02-Imid-03-CA-17,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1cncc(Br)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_49,yes,74%,success,,,['success'],['PHIPA-x11480'],['1.15'],yes,['PHIPA-x11480'],['under 5S98'],['SM'],['O=C(O)c1cncc(Br)c1'],['ok'],['SM bound -not merged'],AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
998,3.5,it3.5_AM-02_Imid-03_CA-18,AM-02-Imid-03-CA-18,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_50,yes,3%,success,*again a large unknown peak next to the solvent front,,"['success', 'Data processing fail']","['PHIPA-x11728', 'PHIPA-x12361']","['1.89', '']",no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
999,3.5,it3.5_AM-02_Imid-03_CA-19,AM-02-Imid-03-CA-19,CC1CN(C(=O)NCC2CC2)CCN1C(=O)C#Cc1ccccc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_51,yes,79%,success,,,['success'],['PHIPA-x11481'],['1.52'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1000,3.5,it3.5_AM-02_Imid-03_CA-20,AM-02-Imid-03-CA-20,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1ccco1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_52,Trace,Trace,trace,*weak product peak but strong unknown peak nearby,,['success'],['PHIPA-x11729'],['1.14'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,trace,,,,
1001,3.5,it3.5_AM-02_Imid-03_CA-21,AM-02-Imid-03-CA-21,CC1CN(C(=O)NCC2CC2)CCN1C(=O)CNC(=O)OC(C)(C)C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_53,Trace levels of deboc,Trace,trace,,,['success'],['PHIPA-x11730'],['1.49'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,trace,,,,
1002,3.5,it3.5_AM-02_Imid-03_CA-22,AM-02-Imid-03-CA-22,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1ccoc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_54,yes,5%,success,*weak product peak but strong unknown peak nearby,,"['success', 'Data processing fail']","['PHIPA-x11731', 'PHIPA-x12366']","['1.62', '']",no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
1003,3.5,it3.5_AM-02_Imid-03_CA-23,AM-02-Imid-03-CA-23,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1cscn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_55,yes,9%,success,*very weak sample,,['success'],['PHIPA-x11732'],['1.52'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
1004,3.5,it3.5_AM-02_Imid-03_CA-24,AM-02-Imid-03-CA-24,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1ccno1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_56,yes,9%,success,*very weak sample,,['success'],['PHIPA-x11733'],['1.34'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,success,,,,
1005,3.5,it3.5_AM-02_Imid-03_CA-25,AM-02-Imid-03-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2C)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_57,yes,7%,success,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11734', 'PHIPA-x12370']","['', '']",no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1006,3.5,it3.5_AM-02_Imid-03_CA-26,AM-02-Imid-03-CA-26,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1sccc1O,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_58,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1007,3.5,it3.5_AM-02_Imid-03_CA-27,AM-02-Imid-03-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NCC2CC2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_59,Unknown - one main peak but no ionisation,64% (Major peak),no ms,,,['success'],['PHIPA-x11735'],['1.16'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,no ms,,,,
1008,3.5,it3.5_AM-02_Imid-03_CA-28,AM-02-Imid-03-CA-28,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1ncn[nH]1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_60,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
1009,3.5,it3.5_AM-02_Imid-03_CA-29,AM-02-Imid-03-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NCC3CC3)CC2C)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_61,Unknown - one main peak but ionisation range is too low for the product mass,84%,no ms,,,"['success', 'Data processing fail', 'Data processing fail']","['PHIPA-x11482', 'PHIPA-x11797', 'PHIPA-x12381']","['2.04', '', '']",no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,no ms,,,,
1010,3.5,it3.5_AM-02_Imid-03_CA-30,AM-02-Imid-03-CA-30,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1sccc1F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_62,yes,88%,success,,,['success'],['PHIPA-x11483'],['1.26'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1011,3.5,it3.5_AM-02_Imid-03_CA-31,AM-02-Imid-03-CA-31,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1ccc(Cl)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_63,Trace,Trace,trace,*weak product peak but strong unknown peak nearby,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11736', 'PHIPA-x12371']","['', '']",no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,trace,,,,
1012,3.5,it3.5_AM-02_Imid-03_CA-32,AM-02-Imid-03-CA-32,CC1CN(C(=O)NCC2CC2)CCN1C(=O)c1ncco1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_64,yes,3%,success,*very weak,,['success'],['PHIPA-x11737'],['1.4'],no,,,,,,,AM-02,NCC1CC1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,success,,,,
1013,3.5,it3.5_AM-03_Imid-03_CA-01,AM-03-Imid-03-CA-01,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1scc2c1OCCO2,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_65,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,fail,,,,
1014,3.5,it3.5_AM-03_Imid-03_CA-02,AM-03-Imid-03-CA-02,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1cocn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_66,yes,18%,success,*weak sample,,['success'],['PHIPA-x11484'],['1.13'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
1015,3.5,it3.5_AM-03_Imid-03_CA-03,AM-03-Imid-03-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2C)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_67,Trace,Trace,trace,*very weak,,['success'],['PHIPA-x11738'],['1.25'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,trace,,,,
1016,3.5,it3.5_AM-03_Imid-03_CA-04,AM-03-Imid-03-CA-04,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1ccnn1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_68,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,fail,,,,
1017,3.5,it3.5_AM-03_Imid-03_CA-05,AM-03-Imid-03-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCc2cccs2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_69,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
1018,3.5,it3.5_AM-03_Imid-03_CA-06,AM-03-Imid-03-CA-06,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1cn(C)cn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_70,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,fail,,,,
1019,3.5,it3.5_AM-03_Imid-03_CA-07,AM-03-Imid-03-CA-07,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1ccccn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_71,Trace,Trace,trace,*very weak product peak,,['success'],['PHIPA-x11739'],['1.09'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,trace,,,,
1020,3.5,it3.5_AM-03_Imid-03_CA-08,AM-03-Imid-03-CA-08,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1ccc2ncsc2c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_72,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,fail,,,,
1021,3.5,it3.5_AM-03_Imid-03_CA-09,AM-03-Imid-03-CA-09,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1ccccc1O,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_73,no,0%,fail,Appears to have had side reactions,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
1022,3.5,it3.5_AM-03_Imid-03_CA-10,AM-03-Imid-03-CA-10,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1c[nH]cn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_74,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
1023,3.5,it3.5_AM-03_Imid-03_CA-11,AM-03-Imid-03-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2C)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_75,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12394'],['1.31'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1024,3.5,it3.5_AM-03_Imid-03_CA-12,AM-03-Imid-03-CA-12,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)Cc1ccccc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_76,yes,11%,success,*weak spectra,,['success'],['PHIPA-x11485'],['1.1'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1025,3.5,it3.5_AM-03_Imid-03_CA-13,AM-03-Imid-03-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_77,Unknown - one main peak but no ionisation,59% (Major peak),no ms,,,['success'],['PHIPA-x11740'],['1.35'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,no ms,,,,
1026,3.5,it3.5_AM-03_Imid-03_CA-14,AM-03-Imid-03-CA-14,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1cccn1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_78,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,fail,,,,
1027,3.5,it3.5_AM-03_Imid-03_CA-15,AM-03-Imid-03-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2C)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_79,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,fail,,,,
1028,3.5,it3.5_AM-03_Imid-03_CA-16,AM-03-Imid-03-CA-16,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_80,Unknown - one main peak but no ionisation,63% (Major peak),no ms,*No m/s of the major peak,,['success'],['PHIPA-x11741'],['1.09'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,no ms,,,,
1029,3.5,it3.5_AM-03_Imid-03_CA-17,AM-03-Imid-03-CA-17,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1cncc(Br)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_81,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,fail,,,,
1030,3.5,it3.5_AM-03_Imid-03_CA-18,AM-03-Imid-03-CA-18,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1ccc([N+](=O)[O-])o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_82,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,fail,,,,
1031,3.5,it3.5_AM-03_Imid-03_CA-19,AM-03-Imid-03-CA-19,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)C#Cc1ccccc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_83,yes,5%,success,*one major peak that doesn't ionise,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11742', 'PHIPA-x12372']","['', '']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1032,3.5,it3.5_AM-03_Imid-03_CA-20,AM-03-Imid-03-CA-20,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1ccco1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_84,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,fail,,,,
1033,3.5,it3.5_AM-03_Imid-03_CA-21,AM-03-Imid-03-CA-21,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)CNC(=O)OC(C)(C)C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_85,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,fail,,,,
1034,3.5,it3.5_AM-03_Imid-03_CA-22,AM-03-Imid-03-CA-22,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1ccoc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_86,Trace,Trace,trace,*weak signal,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11743', 'PHIPA-x12373']","['', '']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,trace,,,,
1035,3.5,it3.5_AM-03_Imid-03_CA-23,AM-03-Imid-03-CA-23,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1cscn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_87,yes,9%,success,*very weak,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11744', 'Fail Mount']","['', '']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
1036,3.5,it3.5_AM-03_Imid-03_CA-24,AM-03-Imid-03-CA-24,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1ccno1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_88,No,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,fail,,,,
1037,3.5,it3.5_AM-03_Imid-03_CA-25,AM-03-Imid-03-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2C)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_89,Trace,Trace,trace,*weak product peak but strong unknown peak nearby,,['success'],['PHIPA-x11745'],['1.09'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,trace,,,,
1038,3.5,it3.5_AM-03_Imid-03_CA-26,AM-03-Imid-03-CA-26,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1sccc1O,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_90,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1039,3.5,it3.5_AM-03_Imid-03_CA-27,AM-03-Imid-03-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NCc2cccs2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_91,Trace,Trace,trace,*weak product peak but strong unknown peak nearby,,['success'],['PHIPA-x11746'],['1.13'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,trace,,,,
1040,3.5,it3.5_AM-03_Imid-03_CA-28,AM-03-Imid-03-CA-28,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1ncn[nH]1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_92,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
1041,3.5,it3.5_AM-03_Imid-03_CA-29,AM-03-Imid-03-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2C)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_93,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1042,3.5,it3.5_AM-03_Imid-03_CA-30,AM-03-Imid-03-CA-30,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1sccc1F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_94,Unknown - one main peak but no ionisation,83% (Major peak),no ms,,,['success'],['PHIPA-x11747'],['1.14'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,no ms,,,,
1043,3.5,it3.5_AM-03_Imid-03_CA-31,AM-03-Imid-03-CA-31,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1ccc(Cl)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_95,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1044,3.5,it3.5_AM-03_Imid-03_CA-32,AM-03-Imid-03-CA-32,CC1CN(C(=O)NCc2cccs2)CCN1C(=O)c1ncco1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_96,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,fail,,,,
1045,3.5,it3.5_AM-04_Imid-03_CA-01,AM-04-Imid-03-CA-01,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1scc2c1OCCO2,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_97,yes,81%,success,,,"['success', 'success', 'success', 'success']","['PHIPA-x11486', 'PHIPA-x11798', 'PHIPA-x12388', 'PHIPA-x12390']","['1.78', '1.12', '1.12', '1.14']",yes,"['PHIPA-x11486', 'PHIPA-x12388', 'PHIPA-x12390']","['under 5S99', 'under 5S99', 'under 5S99']","['SM', 'SM', 'SM']","['O=C(O)c1scc2c1OCCO2', 'OC(c1c(OCCO2)c2cs1)=O', 'CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1scc2c1OCCO2']","['ok', 'ok', 'weak']","['SM bound? Weak not merged', 'SM - ok better than previous', 'SM-weak']",AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
1046,3.5,it3.5_AM-04_Imid-03_CA-02,AM-04-Imid-03-CA-02,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1cocn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_98,yes,45%,success,A little weak,,"['success', 'success']","['PHIPA-x11487', 'PHIPA-x11799']","['1.87', '1.12']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
1047,3.5,it3.5_AM-04_Imid-03_CA-03,AM-04-Imid-03-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2C)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_99,yes,4%,success,*very weak,,['success'],['PHIPA-x11748'],['1.09'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
1048,3.5,it3.5_AM-04_Imid-03_CA-04,AM-04-Imid-03-CA-04,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1ccnn1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_100,Trace,Trace,trace,*very very weak,,['success'],['PHIPA-x11749'],['1.17'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,trace,,,,
1049,3.5,it3.5_AM-04_Imid-03_CA-05,AM-04-Imid-03-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCC(F)(F)F)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_101,Unknown - one peak but m/s range is below the product mass,92% (Major peak),no ms,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11750', 'PHIPA-x12374']","['', '']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,no ms,,,,
1050,3.5,it3.5_AM-04_Imid-03_CA-06,AM-04-Imid-03-CA-06,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1cn(C)cn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_102,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,fail,,,,
1051,3.5,it3.5_AM-04_Imid-03_CA-07,AM-04-Imid-03-CA-07,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1ccccn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_103,yes,7%,success,*very weak,,['success'],['PHIPA-x11751'],['1.09'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
1052,3.5,it3.5_AM-04_Imid-03_CA-08,AM-04-Imid-03-CA-08,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1ccc2ncsc2c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_104,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,fail,,,,
1053,3.5,it3.5_AM-04_Imid-03_CA-09,AM-04-Imid-03-CA-09,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1ccccc1O,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_105,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
1054,3.5,it3.5_AM-04_Imid-03_CA-10,AM-04-Imid-03-CA-10,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1c[nH]cn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_106,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
1055,3.5,it3.5_AM-04_Imid-03_CA-11,AM-04-Imid-03-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2C)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_107,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12395'],['1.28'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1056,3.5,it3.5_AM-04_Imid-03_CA-12,AM-04-Imid-03-CA-12,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)Cc1ccccc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_108,yes,12%,success,*Large unknown peak as the major product,,['success'],['PHIPA-x11488'],['1.09'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1057,3.5,it3.5_AM-04_Imid-03_CA-13,AM-04-Imid-03-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_109,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,fail,,,,
1058,3.5,it3.5_AM-04_Imid-03_CA-14,AM-04-Imid-03-CA-14,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1cccn1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_110,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,fail,,,,
1059,3.5,it3.5_AM-04_Imid-03_CA-15,AM-04-Imid-03-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2C)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_111,yes,80%,success,,,['success'],['PHIPA-x11489'],['1.47'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
1060,3.5,it3.5_AM-04_Imid-03_CA-16,AM-04-Imid-03-CA-16,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_112,Unknown - one peak but m/s range is below the product mass,93% (Major peak),no ms,,,"['success', 'Data processing fail']","['PHIPA-x11752', 'PHIPA-x12364']","['1.65', '']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,no ms,,,,
1061,3.5,it3.5_AM-04_Imid-03_CA-17,AM-04-Imid-03-CA-17,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1cncc(Br)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_113,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,fail,,,,
1062,3.5,it3.5_AM-04_Imid-03_CA-18,AM-04-Imid-03-CA-18,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_114,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,fail,,,,
1063,3.5,it3.5_AM-04_Imid-03_CA-19,AM-04-Imid-03-CA-19,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)C#Cc1ccccc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_115,yes,8%,success,*Large unknown peak as the major product,,['success'],['PHIPA-x11753'],['1.18'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1064,3.5,it3.5_AM-04_Imid-03_CA-20,AM-04-Imid-03-CA-20,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1ccco1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_116,yes,13%,success,*Large unknown peak as the major product,,"['success', 'Data processing fail', 'Data processing fail']","['PHIPA-x11490', 'PHIPA-x11800', 'PHIPA-x12382']","['1.79', '', '']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
1065,3.5,it3.5_AM-04_Imid-03_CA-21,AM-04-Imid-03-CA-21,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)CNC(=O)OC(C)(C)C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_117,Unknown - one peak but m/s range is below the product mass,41% (Major peak),no ms,,,['success'],['PHIPA-x11754'],['1.4'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,no ms,,,,
1066,3.5,it3.5_AM-04_Imid-03_CA-22,AM-04-Imid-03-CA-22,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1ccoc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_118,yes,4%,success,*Large unknown peak as the major product,,['success'],['PHIPA-x11755'],['1.13'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
1067,3.5,it3.5_AM-04_Imid-03_CA-23,AM-04-Imid-03-CA-23,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1cscn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_119,yes,10%,success,*very weak,,['success'],['PHIPA-x11756'],['1.23'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
1068,3.5,it3.5_AM-04_Imid-03_CA-24,AM-04-Imid-03-CA-24,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1ccno1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_120,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,fail,,,,
1069,3.5,it3.5_AM-04_Imid-03_CA-25,AM-04-Imid-03-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2C)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_121,yes,11%,success,*Large unknown peak,,"['success', 'Data processing fail', 'Data processing fail']","['PHIPA-x11491', 'PHIPA-x11801', 'PHIPA-x12383']","['1.91', '', '']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1070,3.5,it3.5_AM-04_Imid-03_CA-26,AM-04-Imid-03-CA-26,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1sccc1O,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_122,*Unknown (messy profile but no m/s of the major 2 peaks),N/a,no ms,,,['success'],['PHIPA-x11757'],['1.48'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,no ms,,,,
1071,3.5,it3.5_AM-04_Imid-03_CA-27,AM-04-Imid-03-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NCC(F)(F)F)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_123,yes,8%,success,*Large unknown peak,,['success'],['PHIPA-x11758'],['1.09'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
1072,3.5,it3.5_AM-04_Imid-03_CA-28,AM-04-Imid-03-CA-28,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1ncn[nH]1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_124,*Unknown (messy profile but no m/s of the major 2 peaks),N/a,no ms,,,['success'],['PHIPA-x11759'],['1.27'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,no ms,,,,
1073,3.5,it3.5_AM-04_Imid-03_CA-29,AM-04-Imid-03-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2C)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_125,Unknown - one peak but m/s range is below the product mass,79% (Major peak),no ms,,,['success'],['PHIPA-x11760'],['1.12'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,no ms,,,,
1074,3.5,it3.5_AM-04_Imid-03_CA-30,AM-04-Imid-03-CA-30,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1sccc1F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_126,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1075,3.5,it3.5_AM-04_Imid-03_CA-31,AM-04-Imid-03-CA-31,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1ccc(Cl)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_127,Unknown - one peak but m/s range is below the product mass,93% (Major peak),no ms,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11761', 'PHIPA-x12375']","['', '']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,no ms,,,,
1076,3.5,it3.5_AM-04_Imid-03_CA-32,AM-04-Imid-03-CA-32,CC1CN(C(=O)NCC(F)(F)F)CCN1C(=O)c1ncco1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_128,yes,31%,success,,,['success'],['PHIPA-x11492'],['1.1'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,success,,,,
1077,3.5,it3.5_AM-05_Imid-03_CA-01,AM-05-Imid-03-CA-01,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1scc2c1OCCO2,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_129,Unknown - one peak but m/s range is below the product mass,85% (major peak),no ms,,,['success'],['PHIPA-x11762'],['1.55'],yes,['PHIPA-x11762'],['under 5S99'],['SM'],['O=C(O)c1scc2c1OCCO2'],['ok'],['SM bound not merged'],AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,no ms,,,,
1078,3.5,it3.5_AM-05_Imid-03_CA-02,AM-05-Imid-03-CA-02,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1cocn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_130,Trace in solvent front,Trace,trace,,,['success'],['PHIPA-x11763'],['1.19'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,trace,,,,
1079,3.5,it3.5_AM-05_Imid-03_CA-03,AM-05-Imid-03-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2C)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_131,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,fail,,,,
1080,3.5,it3.5_AM-05_Imid-03_CA-04,AM-05-Imid-03-CA-04,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1ccnn1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_132,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,fail,,,,
1081,3.5,it3.5_AM-05_Imid-03_CA-05,AM-05-Imid-03-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCc2cccnc2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_133,Unknown - one peak but m/s range is below the product mass,77% (Major peak),no ms,,,['success'],['PHIPA-x11764'],['1.29'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,no ms,,,,
1082,3.5,it3.5_AM-05_Imid-03_CA-06,AM-05-Imid-03-CA-06,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1cn(C)cn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_134,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,fail,,,,
1083,3.5,it3.5_AM-05_Imid-03_CA-07,AM-05-Imid-03-CA-07,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1ccccn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_135,Trace,Trace,trace,,,['success'],['PHIPA-x11765'],['1.12'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,trace,,,,
1084,3.5,it3.5_AM-05_Imid-03_CA-08,AM-05-Imid-03-CA-08,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1ccc2ncsc2c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_136,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,fail,,,,
1085,3.5,it3.5_AM-05_Imid-03_CA-09,AM-05-Imid-03-CA-09,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1ccccc1O,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_137,Unknown - one peak but m/s range is below the product mass,86% (major peak),no ms,,,['success'],['PHIPA-x11766'],['1.44'],yes,['PHIPA-x11766'],['under 5S96'],['SM'],['O=C(O)c1ccccc1O'],['ok'],['SM bound not merged'],AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,no ms,,,,
1086,3.5,it3.5_AM-05_Imid-03_CA-10,AM-05-Imid-03-CA-10,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1c[nH]cn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_138,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
1087,3.5,it3.5_AM-05_Imid-03_CA-11,AM-05-Imid-03-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2C)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_139,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12396'],['1.42'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1088,3.5,it3.5_AM-05_Imid-03_CA-12,AM-05-Imid-03-CA-12,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)Cc1ccccc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_140,yes (peaks in the solvent front),N/a,success,,,['success'],['PHIPA-x11767'],['1.09'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1089,3.5,it3.5_AM-05_Imid-03_CA-13,AM-05-Imid-03-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_141,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,fail,,,,
1090,3.5,it3.5_AM-05_Imid-03_CA-14,AM-05-Imid-03-CA-14,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1cccn1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_142,Unknown - one peak but m/s range is below the product mass,92% (Major peak),no ms,,,['success'],['PHIPA-x11768'],['1.09'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,no ms,,,,
1091,3.5,it3.5_AM-05_Imid-03_CA-15,AM-05-Imid-03-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2C)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_143,Mass in the solvent front but very weak,Trace,success,,,['success'],['PHIPA-x11769'],['1.23'],yes,['PHIPA-x11769'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound not merged'],AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
1092,3.5,it3.5_AM-05_Imid-03_CA-16,AM-05-Imid-03-CA-16,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_144,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,fail,,,,
1093,3.5,it3.5_AM-05_Imid-03_CA-17,AM-05-Imid-03-CA-17,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1cncc(Br)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_145,Trace mass in the solvent front,Trace,success,,,['success'],['PHIPA-x11770'],['1.09'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
1094,3.5,it3.5_AM-05_Imid-03_CA-18,AM-05-Imid-03-CA-18,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1ccc([N+](=O)[O-])o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_146,Trace mass in the solvent front,Trace,success,,,['success'],['PHIPA-x11771'],['1.47'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
1095,3.5,it3.5_AM-05_Imid-03_CA-19,AM-05-Imid-03-CA-19,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)C#Cc1ccccc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_147,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,fail,,,,
1096,3.5,it3.5_AM-05_Imid-03_CA-20,AM-05-Imid-03-CA-20,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1ccco1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_148,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,fail,,,,
1097,3.5,it3.5_AM-05_Imid-03_CA-21,AM-05-Imid-03-CA-21,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)CNC(=O)OC(C)(C)C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_149,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,fail,,,,
1098,3.5,it3.5_AM-05_Imid-03_CA-22,AM-05-Imid-03-CA-22,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1ccoc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_150,Trace mass in the solvent front,Trace,success,,,['success'],['PHIPA-x11772'],['1.3'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
1099,3.5,it3.5_AM-05_Imid-03_CA-23,AM-05-Imid-03-CA-23,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1cscn1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_151,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,fail,,,,
1100,3.5,it3.5_AM-05_Imid-03_CA-24,AM-05-Imid-03-CA-24,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1ccno1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_152,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,fail,,,,
1101,3.5,it3.5_AM-05_Imid-03_CA-25,AM-05-Imid-03-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2C)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_153,Trace mass in the solvent front,Trace,success,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11773', 'PHIPA-x12376']","['', '']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1102,3.5,it3.5_AM-05_Imid-03_CA-26,AM-05-Imid-03-CA-26,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1sccc1O,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_154,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1103,3.5,it3.5_AM-05_Imid-03_CA-27,AM-05-Imid-03-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NCc2cccnc2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_155,Trace mass in the solvent front,Trace,success,,,['success'],['PHIPA-x11774'],['1.12'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
1104,3.5,it3.5_AM-05_Imid-03_CA-28,AM-05-Imid-03-CA-28,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1ncn[nH]1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_156,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
1105,3.5,it3.5_AM-05_Imid-03_CA-29,AM-05-Imid-03-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2C)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_157,Trace mass in the solvent front,Trace,success,,,['success'],['PHIPA-x11775'],['1.14'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1106,3.5,it3.5_AM-05_Imid-03_CA-30,AM-05-Imid-03-CA-30,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1sccc1F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_158,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1107,3.5,it3.5_AM-05_Imid-03_CA-31,AM-05-Imid-03-CA-31,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1ccc(Cl)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_159,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1108,3.5,it3.5_AM-05_Imid-03_CA-32,AM-05-Imid-03-CA-32,CC1CN(C(=O)NCc2cccnc2)CCN1C(=O)c1ncco1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_160,Trace mass in the solvent front,Trace,success,,,['success'],['PHIPA-x11776'],['1.09'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,success,,,,
1109,3.5,it3.5_AM-06_Imid-03_CA-01,AM-06-Imid-03-CA-01,COc1ccc(NC(=O)N2CCN(C(=O)c3scc4c3OCCO4)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_161,yes,19%,success,,,['success'],['PHIPA-x11493'],['1.09'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
1110,3.5,it3.5_AM-06_Imid-03_CA-02,AM-06-Imid-03-CA-02,COc1ccc(NC(=O)N2CCN(C(=O)c3cocn3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_162,yes,47%,success,,,['success'],['PHIPA-x11494'],['1.29'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
1111,3.5,it3.5_AM-06_Imid-03_CA-03,AM-06-Imid-03-CA-03,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)c(N)c3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_163,yes,32%,success,,,"['success', 'success']","['PHIPA-x11495', 'PHIPA-x11802']","['1.84', '1.09']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
1112,3.5,it3.5_AM-06_Imid-03_CA-04,AM-06-Imid-03-CA-04,COc1ccc(NC(=O)N2CCN(C(=O)c3ccnn3C)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_164,yes,17%,success,,,['success'],['PHIPA-x11496'],['1.3'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,success,,,,
1113,3.5,it3.5_AM-06_Imid-03_CA-05,AM-06-Imid-03-CA-05,COc1ccc(NC(=O)N2CCN(C(=O)c3c(OC)cccc3OC)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_165,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
1114,3.5,it3.5_AM-06_Imid-03_CA-06,AM-06-Imid-03-CA-06,COc1ccc(NC(=O)N2CCN(C(=O)c3cn(C)cn3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_166,Trace mass in the solvent front,Trace,success,,,['success'],['PHIPA-x11777'],['1.39'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,success,,,,
1115,3.5,it3.5_AM-06_Imid-03_CA-07,AM-06-Imid-03-CA-07,COc1ccc(NC(=O)N2CCN(C(=O)c3ccccn3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_167,yes,24%,success,,,['success'],['PHIPA-x11497'],['1.29'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
1116,3.5,it3.5_AM-06_Imid-03_CA-08,AM-06-Imid-03-CA-08,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc4ncsc4c3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_168,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,fail,,,,
1117,3.5,it3.5_AM-06_Imid-03_CA-09,AM-06-Imid-03-CA-09,COc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3O)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_169,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
1118,3.5,it3.5_AM-06_Imid-03_CA-10,AM-06-Imid-03-CA-10,COc1ccc(NC(=O)N2CCN(C(=O)c3c[nH]cn3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_170,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
1119,3.5,it3.5_AM-06_Imid-03_CA-11,AM-06-Imid-03-CA-11,COc1ccc(NC(=O)N2CCN(C(=O)c3cccc(C)c3N)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_171,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12397'],['1.09'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1120,3.5,it3.5_AM-06_Imid-03_CA-12,AM-06-Imid-03-CA-12,COc1ccc(NC(=O)N2CCN(C(=O)Cc3ccccc3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_172,yes,52%,success,,,['success'],['PHIPA-x11498'],['1.22'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1121,3.5,it3.5_AM-06_Imid-03_CA-13,AM-06-Imid-03-CA-13,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)cc3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_173,yes,13%,success,,,['success'],['PHIPA-x11499'],['1.52'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
1122,3.5,it3.5_AM-06_Imid-03_CA-14,AM-06-Imid-03-CA-14,COc1ccc(NC(=O)N2CCN(C(=O)c3cccn3C)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_174,yes,3%,success,*very weak signal,,['success'],['PHIPA-x11778'],['1.42'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
1123,3.5,it3.5_AM-06_Imid-03_CA-15,AM-06-Imid-03-CA-15,COc1ccc(NC(=O)N2CCN(C(=O)c3cccc(OC)c3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_175,yes,54%,success,,,['success'],['PHIPA-x11500'],['1.1'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
1124,3.5,it3.5_AM-06_Imid-03_CA-16,AM-06-Imid-03-CA-16,COc1ccc(NC(=O)N2CCN(C(=O)c3cccs3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_176,yes,11%,success,*weak product peak (very strong unknown signal),,['success'],['PHIPA-x11501'],['1.37'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,success,,,,
1125,3.5,it3.5_AM-06_Imid-03_CA-17,AM-06-Imid-03-CA-17,COc1ccc(NC(=O)N2CCN(C(=O)c3cncc(Br)c3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_177,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,fail,,,,
1126,3.5,it3.5_AM-06_Imid-03_CA-18,AM-06-Imid-03-CA-18,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_178,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,fail,,,,
1127,3.5,it3.5_AM-06_Imid-03_CA-19,AM-06-Imid-03-CA-19,COc1ccc(NC(=O)N2CCN(C(=O)C#Cc3ccccc3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_179,yes,21%,success,,,"['Data processing fail', 'Data processing fail', 'success']","['PHIPA-x11502', 'PHIPA-x11803', 'PHIPA-x12384']","['', '', '2.85']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1128,3.5,it3.5_AM-06_Imid-03_CA-20,AM-06-Imid-03-CA-20,COc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_180,yes,11%,success,,,['success'],['PHIPA-x11503'],['1.47'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
1129,3.5,it3.5_AM-06_Imid-03_CA-21,AM-06-Imid-03-CA-21,COc1ccc(NC(=O)N2CCN(C(=O)CNC(=O)OC(C)(C)C)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_181,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,fail,,,,
1130,3.5,it3.5_AM-06_Imid-03_CA-22,AM-06-Imid-03-CA-22,COc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_182,yes,33%,success,,,['success'],['PHIPA-x11504'],['1.43'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
1131,3.5,it3.5_AM-06_Imid-03_CA-23,AM-06-Imid-03-CA-23,COc1ccc(NC(=O)N2CCN(C(=O)c3cscn3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_183,yes,43%,success,,,['success'],['PHIPA-x11505'],['1.3'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
1132,3.5,it3.5_AM-06_Imid-03_CA-24,AM-06-Imid-03-CA-24,COc1ccc(NC(=O)N2CCN(C(=O)c3ccno3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_184,yes,9%,success,*weak signals,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11779', 'PHIPA-x12377']","['', '']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,success,,,,
1133,3.5,it3.5_AM-06_Imid-03_CA-25,AM-06-Imid-03-CA-25,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)o3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_185,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1134,3.5,it3.5_AM-06_Imid-03_CA-26,AM-06-Imid-03-CA-26,COc1ccc(NC(=O)N2CCN(C(=O)c3sccc3O)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_186,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1135,3.5,it3.5_AM-06_Imid-03_CA-27,AM-06-Imid-03-CA-27,COc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_187,yes,22%,success,,,['success'],['PHIPA-x11506'],['1.37'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
1136,3.5,it3.5_AM-06_Imid-03_CA-28,AM-06-Imid-03-CA-28,COc1ccc(NC(=O)N2CCN(C(=O)c3ncn[nH]3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_188,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
1137,3.5,it3.5_AM-06_Imid-03_CA-29,AM-06-Imid-03-CA-29,COc1ccc(NC(=O)N2CCN(C(=O)c3cc(C)c(C)o3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_189,yes,20%,success,,,['success'],['PHIPA-x11507'],['1.37'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1138,3.5,it3.5_AM-06_Imid-03_CA-30,AM-06-Imid-03-CA-30,COc1ccc(NC(=O)N2CCN(C(=O)c3sccc3F)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_190,yes,13%,success,*very weak,,['success'],['PHIPA-x11508'],['1.3'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1139,3.5,it3.5_AM-06_Imid-03_CA-31,AM-06-Imid-03-CA-31,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)o3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_191,yes,19%,success,*very weak,,['success'],['PHIPA-x11509'],['1.3'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1140,3.5,it3.5_AM-06_Imid-03_CA-32,AM-06-Imid-03-CA-32,COc1ccc(NC(=O)N2CCN(C(=O)c3ncco3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_192,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,fail,,,,
1141,3.5,it3.5_AM-07_Imid-03_CA-01,AM-07-Imid-03-CA-01,CCCCNC(=O)N1CCN(C(=O)c2scc3c2OCCO3)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_193,yes,23%,success,,,['success'],['PHIPA-x11510'],['1.09'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
1142,3.5,it3.5_AM-07_Imid-03_CA-02,AM-07-Imid-03-CA-02,CCCCNC(=O)N1CCN(C(=O)c2cocn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_194,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,fail,,,,
1143,3.5,it3.5_AM-07_Imid-03_CA-03,AM-07-Imid-03-CA-03,CCCCNC(=O)N1CCN(C(=O)c2ccc(C)c(N)c2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_195,yes,17%,success,*Quite weak,,['success'],['PHIPA-x11511'],['1.15'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
1144,3.5,it3.5_AM-07_Imid-03_CA-04,AM-07-Imid-03-CA-04,CCCCNC(=O)N1CCN(C(=O)c2ccnn2C)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_196,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,fail,,,,
1145,3.5,it3.5_AM-07_Imid-03_CA-05,AM-07-Imid-03-CA-05,CCCCNC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_197,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
1146,3.5,it3.5_AM-07_Imid-03_CA-06,AM-07-Imid-03-CA-06,CCCCNC(=O)N1CCN(C(=O)c2cn(C)cn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_198,yes,2%,success,*very weak,,"['success', 'success']","['PHIPA-x11780', 'PHIPA-x12365']","['1.62', '1.66']",no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,success,,,,
1147,3.5,it3.5_AM-07_Imid-03_CA-07,AM-07-Imid-03-CA-07,CCCCNC(=O)N1CCN(C(=O)c2ccccn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_199,yes,29%,success,,,['success'],['PHIPA-x11512'],['1.13'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
1148,3.5,it3.5_AM-07_Imid-03_CA-08,AM-07-Imid-03-CA-08,CCCCNC(=O)N1CCN(C(=O)c2ccc3ncsc3c2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_200,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,fail,,,,
1149,3.5,it3.5_AM-07_Imid-03_CA-09,AM-07-Imid-03-CA-09,CCCCNC(=O)N1CCN(C(=O)c2ccccc2O)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_201,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
1150,3.5,it3.5_AM-07_Imid-03_CA-10,AM-07-Imid-03-CA-10,CCCCNC(=O)N1CCN(C(=O)c2c[nH]cn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_202,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
1151,3.5,it3.5_AM-07_Imid-03_CA-11,AM-07-Imid-03-CA-11,CCCCNC(=O)N1CCN(C(=O)c2cccc(C)c2N)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_203,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12398'],['1.09'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1152,3.5,it3.5_AM-07_Imid-03_CA-12,AM-07-Imid-03-CA-12,CCCCNC(=O)N1CCN(C(=O)Cc2ccccc2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_204,yes,26%,success,,,['success'],['PHIPA-x11513'],['1.44'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1153,3.5,it3.5_AM-07_Imid-03_CA-13,AM-07-Imid-03-CA-13,CCCCNC(=O)N1CCN(C(=O)c2ccc(C)cc2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_205,yes,8%,success,,,['success'],['PHIPA-x11781'],['1.23'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
1154,3.5,it3.5_AM-07_Imid-03_CA-14,AM-07-Imid-03-CA-14,CCCCNC(=O)N1CCN(C(=O)c2cccn2C)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_206,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,fail,,,,
1155,3.5,it3.5_AM-07_Imid-03_CA-15,AM-07-Imid-03-CA-15,CCCCNC(=O)N1CCN(C(=O)c2cccc(OC)c2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_207,yes,3%,success,*large peak (unknown),,['success'],['PHIPA-x11782'],['1.14'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
1156,3.5,it3.5_AM-07_Imid-03_CA-16,AM-07-Imid-03-CA-16,CCCCNC(=O)N1CCN(C(=O)c2cccs2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_208,yes,3%,success,*large peak (unknown),,['success'],['PHIPA-x11783'],['1.35'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,success,,,,
1157,3.5,it3.5_AM-07_Imid-03_CA-17,AM-07-Imid-03-CA-17,CCCCNC(=O)N1CCN(C(=O)c2cncc(Br)c2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_209,yes,19%,success,,,['success'],['PHIPA-x11514'],['1.1'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
1158,3.5,it3.5_AM-07_Imid-03_CA-18,AM-07-Imid-03-CA-18,CCCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_210,yes,9%,success,*very weak,,['success'],['PHIPA-x11784'],['1.45'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
1159,3.5,it3.5_AM-07_Imid-03_CA-19,AM-07-Imid-03-CA-19,CCCCNC(=O)N1CCN(C(=O)C#Cc2ccccc2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_211,yes,53%,success,,,"['success', 'success']","['PHIPA-x11515', 'PHIPA-x11804']","['1.64', '1.23']",no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1160,3.5,it3.5_AM-07_Imid-03_CA-20,AM-07-Imid-03-CA-20,CCCCNC(=O)N1CCN(C(=O)c2ccco2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_212,yes,25%,success,,,"['success', 'success']","['PHIPA-x11516', 'PHIPA-x11805']","['1.96', '1.16']",no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
1161,3.5,it3.5_AM-07_Imid-03_CA-21,AM-07-Imid-03-CA-21,CCCCNC(=O)N1CCN(C(=O)CNC(=O)OC(C)(C)C)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_213,yes,15%,success,,,['success'],['PHIPA-x11806'],['1.18'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
1162,3.5,it3.5_AM-07_Imid-03_CA-22,AM-07-Imid-03-CA-22,CCCCNC(=O)N1CCN(C(=O)c2ccoc2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_214,yes,17%,success,,,['success'],['PHIPA-x11807'],['1.5'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
1163,3.5,it3.5_AM-07_Imid-03_CA-23,AM-07-Imid-03-CA-23,CCCCNC(=O)N1CCN(C(=O)c2cscn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_215,yes,15%,success,,,['success'],['PHIPA-x11808'],['1.16'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
1164,3.5,it3.5_AM-07_Imid-03_CA-24,AM-07-Imid-03-CA-24,CCCCNC(=O)N1CCN(C(=O)c2ccno2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_216,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,fail,,,,
1165,3.5,it3.5_AM-07_Imid-03_CA-25,AM-07-Imid-03-CA-25,CCCCNC(=O)N1CCN(C(=O)c2ccc(C)o2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_217,yes,55%,success,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11809', 'PHIPA-x12385']","['', '']",no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1166,3.5,it3.5_AM-07_Imid-03_CA-26,AM-07-Imid-03-CA-26,CCCCNC(=O)N1CCN(C(=O)c2sccc2O)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_218,Unknown - messy profile but no m/s for the main peak,20% (Major peak),no ms,,,['success'],['PHIPA-x11785'],['1.24'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,no ms,,,,
1167,3.5,it3.5_AM-07_Imid-03_CA-27,AM-07-Imid-03-CA-27,CCCCNC(=O)N1CCN(C(=O)c2ccoc2C)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_219,yes,25%,success,,,['success'],['PHIPA-x11810'],['1.15'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
1168,3.5,it3.5_AM-07_Imid-03_CA-28,AM-07-Imid-03-CA-28,CCCCNC(=O)N1CCN(C(=O)c2ncn[nH]2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_220,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
1169,3.5,it3.5_AM-07_Imid-03_CA-29,AM-07-Imid-03-CA-29,CCCCNC(=O)N1CCN(C(=O)c2cc(C)c(C)o2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_221,yes,12%,success,,,['success'],['PHIPA-x11811'],['1.2'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1170,3.5,it3.5_AM-07_Imid-03_CA-30,AM-07-Imid-03-CA-30,CCCCNC(=O)N1CCN(C(=O)c2sccc2F)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_222,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1171,3.5,it3.5_AM-07_Imid-03_CA-31,AM-07-Imid-03-CA-31,CCCCNC(=O)N1CCN(C(=O)c2ccc(Cl)o2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_223,yes,2%,success,*large peak (unknown),,"['Data processing fail', 'Data processing fail']","['PHIPA-x11786', 'PHIPA-x12378']","['', '']",no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1172,3.5,it3.5_AM-07_Imid-03_CA-32,AM-07-Imid-03-CA-32,CCCCNC(=O)N1CCN(C(=O)c2ncco2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_224,yes,23%,success,,,['success'],['PHIPA-x11812'],['1.41'],no,,,,,,,AM-07,CCCCN,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,success,,,,
1173,3.5,it3.5_AM-08_Imid-03_CA-01,AM-08-Imid-03-CA-01,CC(C)NC(=O)N1CCN(C(=O)c2scc3c2OCCO3)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_225,yes,8%,success,*Product is the minor peak,,['success'],['PHIPA-x11787'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
1174,3.5,it3.5_AM-08_Imid-03_CA-02,AM-08-Imid-03-CA-02,CC(C)NC(=O)N1CCN(C(=O)c2cocn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_226,yes,34%,success,,,"['success', 'Data processing fail']","['PHIPA-x11813', 'PHIPA-x12359']","['0.97', '']",no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
1175,3.5,it3.5_AM-08_Imid-03_CA-03,AM-08-Imid-03-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NC(C)C)CC2C)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_227,yes,35%,success,,,['success'],['PHIPA-x11814'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
1176,3.5,it3.5_AM-08_Imid-03_CA-04,AM-08-Imid-03-CA-04,CC(C)NC(=O)N1CCN(C(=O)c2ccnn2C)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_228,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,fail,,,,
1177,3.5,it3.5_AM-08_Imid-03_CA-05,AM-08-Imid-03-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NC(C)C)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_229,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
1178,3.5,it3.5_AM-08_Imid-03_CA-06,AM-08-Imid-03-CA-06,CC(C)NC(=O)N1CCN(C(=O)c2cn(C)cn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_230,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,fail,,,,
1179,3.5,it3.5_AM-08_Imid-03_CA-07,AM-08-Imid-03-CA-07,CC(C)NC(=O)N1CCN(C(=O)c2ccccn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_231,yes,3%,success,*Product is the minor peak,,"['success', 'Data processing fail']","['PHIPA-x11788', 'PHIPA-x12362']","['1.68', '']",no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
1180,3.5,it3.5_AM-08_Imid-03_CA-08,AM-08-Imid-03-CA-08,CC(C)NC(=O)N1CCN(C(=O)c2ccc3ncsc3c2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_232,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,fail,,,,
1181,3.5,it3.5_AM-08_Imid-03_CA-09,AM-08-Imid-03-CA-09,CC(C)NC(=O)N1CCN(C(=O)c2ccccc2O)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_233,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
1182,3.5,it3.5_AM-08_Imid-03_CA-10,AM-08-Imid-03-CA-10,CC(C)NC(=O)N1CCN(C(=O)c2c[nH]cn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_234,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
1183,3.5,it3.5_AM-08_Imid-03_CA-11,AM-08-Imid-03-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NC(C)C)CC2C)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_235,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12399'],['1.31'],no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1184,3.5,it3.5_AM-08_Imid-03_CA-12,AM-08-Imid-03-CA-12,CC(C)NC(=O)N1CCN(C(=O)Cc2ccccc2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_236,yes,22%,success,,,['success'],['PHIPA-x11815'],['1.52'],no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1185,3.5,it3.5_AM-08_Imid-03_CA-13,AM-08-Imid-03-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NC(C)C)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_237,yes,15%,success,,,['success'],['PHIPA-x11816'],['1.16'],no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
1186,3.5,it3.5_AM-08_Imid-03_CA-14,AM-08-Imid-03-CA-14,CC(C)NC(=O)N1CCN(C(=O)c2cccn2C)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_238,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,fail,,,,
1187,3.5,it3.5_AM-08_Imid-03_CA-15,AM-08-Imid-03-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NC(C)C)CC2C)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_239,yes,88%,success,,,['success'],['PHIPA-x11817'],['1.29'],yes,['PHIPA-x11817'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound not merged'],AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
1188,3.5,it3.5_AM-08_Imid-03_CA-16,AM-08-Imid-03-CA-16,CC(C)NC(=O)N1CCN(C(=O)c2cccs2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_240,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,fail,,,,
1189,3.5,it3.5_AM-08_Imid-03_CA-17,AM-08-Imid-03-CA-17,CC(C)NC(=O)N1CCN(C(=O)c2cncc(Br)c2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_241,yes,20%,success,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11818', 'PHIPA-x12386']","['', '']",no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
1190,3.5,it3.5_AM-08_Imid-03_CA-18,AM-08-Imid-03-CA-18,CC(C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_242,yes,7%,success,*weak spectrum,,"['success', 'Data processing fail']","['PHIPA-x11789', 'PHIPA-x12363']","['1.67', '']",no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
1191,3.5,it3.5_AM-08_Imid-03_CA-19,AM-08-Imid-03-CA-19,CC(C)NC(=O)N1CCN(C(=O)C#Cc2ccccc2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_243,yes,29%,success,,,['success'],['PHIPA-x11819'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1192,3.5,it3.5_AM-08_Imid-03_CA-20,AM-08-Imid-03-CA-20,CC(C)NC(=O)N1CCN(C(=O)c2ccco2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_244,yes,15%,success,,,"['success', 'Data processing fail']","['PHIPA-x11820', 'PHIPA-x12360']","['2.09', '']",no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
1193,3.5,it3.5_AM-08_Imid-03_CA-21,AM-08-Imid-03-CA-21,CC(C)NC(=O)N1CCN(C(=O)CNC(=O)OC(C)(C)C)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_245,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,fail,,,,
1194,3.5,it3.5_AM-08_Imid-03_CA-22,AM-08-Imid-03-CA-22,CC(C)NC(=O)N1CCN(C(=O)c2ccoc2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_246,no,0%,fail,*potential very low levels of product but no m/s,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,fail,,,,
1195,3.5,it3.5_AM-08_Imid-03_CA-23,AM-08-Imid-03-CA-23,CC(C)NC(=O)N1CCN(C(=O)c2cscn2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_247,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,fail,,,,
1196,3.5,it3.5_AM-08_Imid-03_CA-24,AM-08-Imid-03-CA-24,CC(C)NC(=O)N1CCN(C(=O)c2ccno2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_248,yes,10%,success,*very weak spectra,,['success'],['PHIPA-x11790'],['1.33'],no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,success,,,,
1197,3.5,it3.5_AM-08_Imid-03_CA-25,AM-08-Imid-03-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NC(C)C)CC2C)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_249,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1198,3.5,it3.5_AM-08_Imid-03_CA-26,AM-08-Imid-03-CA-26,CC(C)NC(=O)N1CCN(C(=O)c2sccc2O)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_250,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1199,3.5,it3.5_AM-08_Imid-03_CA-27,AM-08-Imid-03-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NC(C)C)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_251,no,0%,fail,*Some small potential product peaks but no m/s of these,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1200,3.5,it3.5_AM-08_Imid-03_CA-28,AM-08-Imid-03-CA-28,CC(C)NC(=O)N1CCN(C(=O)c2ncn[nH]2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_252,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
1201,3.5,it3.5_AM-08_Imid-03_CA-29,AM-08-Imid-03-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NC(C)C)CC2C)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_253,yes,5%,success,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11791', 'PHIPA-x12379']","['', '']",no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1202,3.5,it3.5_AM-08_Imid-03_CA-30,AM-08-Imid-03-CA-30,CC(C)NC(=O)N1CCN(C(=O)c2sccc2F)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_254,yes,10%,success,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11792', 'Fail Mount']","['', '']",no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1203,3.5,it3.5_AM-08_Imid-03_CA-31,AM-08-Imid-03-CA-31,CC(C)NC(=O)N1CCN(C(=O)c2ccc(Cl)o2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_255,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1204,3.5,it3.5_AM-08_Imid-03_CA-32,AM-08-Imid-03-CA-32,CC(C)NC(=O)N1CCN(C(=O)c2ncco2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_03,it3.5-final-series3-amide_256,,,N/D,,,['success'],['PHIPA-x11793'],['1.12'],no,,,,,,,AM-08,CC(N)C,Imid-03,O=C(N1CCN(C(OC(C)(C)C)=O)CC1C)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,N/D,,,,
1205,3.5,it3.5_AM-01_Imid-02_CA-01,AM-01-Imid-02-CA-01,COCCNC(=O)N1CCN(C(=O)c2scc3c2OCCO3)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_01,yes,75%,success,,,['success'],['PHIPA-x11300'],['1.29'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
1206,3.5,it3.5_AM-01_Imid-02_CA-02,AM-01-Imid-02-CA-02,COCCNC(=O)N1CCN(C(=O)c2cocn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_02,no mass (large peak by the solvent front),0%,no ms,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,no ms,,,,
1207,3.5,it3.5_AM-01_Imid-02_CA-03,AM-01-Imid-02-CA-03,COCCNC(=O)N1CCN(C(=O)c2ccc(C)c(N)c2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_03,yes,61%,success,,,['success'],['PHIPA-x11301'],['1.16'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
1208,3.5,it3.5_AM-01_Imid-02_CA-04,AM-01-Imid-02-CA-04,COCCNC(=O)N1CCN(C(=O)c2ccnn2C)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_04,yes,76%,success,,,['success'],['PHIPA-x11302'],['1.37'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,success,,,,
1209,3.5,it3.5_AM-01_Imid-02_CA-05,AM-01-Imid-02-CA-05,COCCNC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_05,yes,15%,success,,,['success'],['PHIPA-x11303'],['1.3'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,success,,,,
1210,3.5,it3.5_AM-01_Imid-02_CA-06,AM-01-Imid-02-CA-06,COCCNC(=O)N1CCN(C(=O)c2cn(C)cn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_06,yes,72%,success,,,['success'],['PHIPA-x11304'],['1.26'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,success,,,,
1211,3.5,it3.5_AM-01_Imid-02_CA-07,AM-01-Imid-02-CA-07,COCCNC(=O)N1CCN(C(=O)c2ccccn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_07,yes,64%,success,,,['success'],['PHIPA-x11305'],['1.3'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
1212,3.5,it3.5_AM-01_Imid-02_CA-08,AM-01-Imid-02-CA-08,COCCNC(=O)N1CCN(C(=O)c2ccc3ncsc3c2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_08,,,N/D,,,['success'],['PHIPA-x11635'],['1.16'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,N/D,,,,
1213,3.5,it3.5_AM-01_Imid-02_CA-09,AM-01-Imid-02-CA-09,COCCNC(=O)N1CCN(C(=O)c2ccccc2O)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_09,Unknown - no ionisation,65% (main peak),no ms,No ionisation,,['success'],['PHIPA-x11636'],['1.09'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,no ms,,,,
1214,3.5,it3.5_AM-01_Imid-02_CA-10,AM-01-Imid-02-CA-10,COCCNC(=O)N1CCN(C(=O)c2c[nH]cn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_10,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
1215,3.5,it3.5_AM-01_Imid-02_CA-11,AM-01-Imid-02-CA-11,COCCNC(=O)N1CCN(C(=O)c2cccc(C)c2N)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_11,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12351'],['1.29'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1216,3.5,it3.5_AM-01_Imid-02_CA-12,AM-01-Imid-02-CA-12,COCCNC(=O)N1CCN(C(=O)Cc2ccccc2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_12,yes,47%,success,,,['success'],['PHIPA-x11306'],['1.29'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1217,3.5,it3.5_AM-01_Imid-02_CA-13,AM-01-Imid-02-CA-13,COCCNC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_13,yes,51%,success,,,['success'],['PHIPA-x11307'],['1.13'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
1218,3.5,it3.5_AM-01_Imid-02_CA-14,AM-01-Imid-02-CA-14,COCCNC(=O)N1CCN(C(=O)c2cccn2C)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_14,yes,52%,success,,,['success'],['PHIPA-x11308'],['1.2'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
1219,3.5,it3.5_AM-01_Imid-02_CA-15,AM-01-Imid-02-CA-15,COCCNC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_15,yes,55%,success,,,"['Failed - low resolution', 'success']","['PHIPA-x11309', 'PHIPA-x11621']","['3.92', '1.14']",no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
1220,3.5,it3.5_AM-01_Imid-02_CA-16,AM-01-Imid-02-CA-16,COCCNC(=O)N1CCN(C(=O)c2cccs2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_16,,,N/D,,,"['success', 'success', 'success']","['PHIPA-x11637', 'PHIPA-x12342', 'PHIPA-x12349']","['1.35', '1.5', '1.45']",yes,['PHIPA-x11637'],['5S9F'],['product'],['COCCNC(=O)N1CCN(C(=O)c2cccs2)CC1C'],['incomplete'],['missing alkyl chain density'],AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,N/D,,,,
1221,3.5,it3.5_AM-01_Imid-02_CA-17,AM-01-Imid-02-CA-17,COCCNC(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_17,yes,51%,success,,,['success'],['PHIPA-x11310'],['1.1'],yes,['PHIPA-x11310'],['5S98'],['SM'],['O=C(O)c1cncc(Br)c1'],['ok'],['SM bound'],AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
1222,3.5,it3.5_AM-01_Imid-02_CA-18,AM-01-Imid-02-CA-18,COCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_18,yes,60%,success,,,['success'],['PHIPA-x11311'],['1.13'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
1223,3.5,it3.5_AM-01_Imid-02_CA-19,AM-01-Imid-02-CA-19,COCCNC(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_19,yes,51%,success,,,['success'],['PHIPA-x11312'],['1.37'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1224,3.5,it3.5_AM-01_Imid-02_CA-20,AM-01-Imid-02-CA-20,COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_20,yes,70%,success,,,"['success', 'success', 'success', 'success']","['PHIPA-x11313', 'PHIPA-x11622', 'PHIPA-x12341', 'PHIPA-x12348']","['1.92', '1.26', '1.42', '1.23']",yes,['PHIPA-x11622'],['under 5S90'],['product'],['COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1C'],['weak'],['too weak - resoak'],AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
1225,3.5,it3.5_AM-01_Imid-02_CA-21,AM-01-Imid-02-CA-21,COCCNC(=O)N1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_21,yes,45%,success,,,['success'],['PHIPA-x11314'],['1.37'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
1226,3.5,it3.5_AM-01_Imid-02_CA-22,AM-01-Imid-02-CA-22,COCCNC(=O)N1CCN(C(=O)c2ccoc2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_22,yes,58%,success,,,['success'],['PHIPA-x11315'],['1.37'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
1227,3.5,it3.5_AM-01_Imid-02_CA-23,AM-01-Imid-02-CA-23,COCCNC(=O)N1CCN(C(=O)c2cscn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_23,yes,64%,success,,,['success'],['PHIPA-x11316'],['1.47'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
1228,3.5,it3.5_AM-01_Imid-02_CA-24,AM-01-Imid-02-CA-24,COCCNC(=O)N1CCN(C(=O)c2ccno2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_24,,,N/D,,,['success'],['PHIPA-x11640'],['1.18'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,N/D,,,,
1229,3.5,it3.5_AM-01_Imid-02_CA-25,AM-01-Imid-02-CA-25,COCCNC(=O)N1CCN(C(=O)c2ccc(C)o2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_25,yes,36%,success,,,['success'],['PHIPA-x11317'],['1.37'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1230,3.5,it3.5_AM-01_Imid-02_CA-26,AM-01-Imid-02-CA-26,COCCNC(=O)N1CCN(C(=O)c2sccc2O)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_26,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1231,3.5,it3.5_AM-01_Imid-02_CA-27,AM-01-Imid-02-CA-27,COCCNC(=O)N1CCN(C(=O)c2ccoc2C)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_27,yes,77%,success,(potential overlapping peaks),,['success'],['PHIPA-x11318'],['1.13'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
1232,3.5,it3.5_AM-01_Imid-02_CA-28,AM-01-Imid-02-CA-28,COCCNC(=O)N1CCN(C(=O)c2ncn[nH]2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_28,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
1233,3.5,it3.5_AM-01_Imid-02_CA-29,AM-01-Imid-02-CA-29,COCCNC(=O)N1CCN(C(=O)c2cc(C)c(C)o2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_29,yes,70%,success,,,['success'],['PHIPA-x11319'],['1.3'],no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1234,3.5,it3.5_AM-01_Imid-02_CA-30,AM-01-Imid-02-CA-30,COCCNC(=O)N1CCN(C(=O)c2sccc2F)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_30,yes,30%,success,,,"['success', 'Data processing fail', 'Data processing fail']","['PHIPA-x11320', 'PHIPA-x11623', 'PHIPA-x12320']","['2.04', '', '']",no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1235,3.5,it3.5_AM-01_Imid-02_CA-31,AM-01-Imid-02-CA-31,COCCNC(=O)N1CCN(C(=O)c2ccc(Cl)o2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_31,yes,43%,success,,,"['Data processing fail', 'Data processing fail', 'Data processing fail']","['PHIPA-x11321', 'PHIPA-x11624', 'Fail Mount']","['', '', '']",no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1236,3.5,it3.5_AM-01_Imid-02_CA-32,AM-01-Imid-02-CA-32,COCCNC(=O)N1CCN(C(=O)c2ncco2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_32,,,N/D,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,N/D,,,,
1237,3.5,it3.5_AM-02_Imid-02_CA-01,AM-02-Imid-02-CA-01,CC1CN(C(=O)c2scc3c2OCCO3)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_33,yes,63%,success,,,['success'],['PHIPA-x11322'],['1.18'],yes,['PHIPA-x11322'],['5S99'],['SM'],['O=C(O)c1scc2c1OCCO2'],['ok'],['SM bound -not merged'],AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
1238,3.5,it3.5_AM-02_Imid-02_CA-02,AM-02-Imid-02-CA-02,CC1CN(C(=O)c2cocn2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_34,yes,73%,success,,,['success'],['PHIPA-x11323'],['1.19'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
1239,3.5,it3.5_AM-02_Imid-02_CA-03,AM-02-Imid-02-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NCC3CC3)C(C)C2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_35,yes,58%,success,,,['success'],['PHIPA-x11324'],['1.22'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
1240,3.5,it3.5_AM-02_Imid-02_CA-04,AM-02-Imid-02-CA-04,CC1CN(C(=O)c2ccnn2C)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_36,yes,55%,success,,,['success'],['PHIPA-x11325'],['1.43'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,success,,,,
1241,3.5,it3.5_AM-02_Imid-02_CA-05,AM-02-Imid-02-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCC2CC2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_37,yes,68%,success,,,"['success', 'success']","['PHIPA-x11326', 'PHIPA-x11625']","['1.96', '1.35']",no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,success,,,,
1242,3.5,it3.5_AM-02_Imid-02_CA-06,AM-02-Imid-02-CA-06,CC1CN(C(=O)c2cn(C)cn2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_38,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,fail,,,,
1243,3.5,it3.5_AM-02_Imid-02_CA-07,AM-02-Imid-02-CA-07,CC1CN(C(=O)c2ccccn2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_39,yes,72%,success,,,['success'],['PHIPA-x11327'],['1.3'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
1244,3.5,it3.5_AM-02_Imid-02_CA-08,AM-02-Imid-02-CA-08,CC1CN(C(=O)c2ccc3ncsc3c2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_40,,,N/D,,,['success'],['PHIPA-x11643'],['1.09'],yes,['PHIPA-x11643'],['5S9G'],['SM'],['O=C(O)c1ccc2ncsc2c1'],['ok'],['SM bound not merged'],AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,N/D,,,,
1245,3.5,it3.5_AM-02_Imid-02_CA-09,AM-02-Imid-02-CA-09,CC1CN(C(=O)c2ccccc2O)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_41,yes,68%,success,,,['success'],['PHIPA-x11328'],['1.14'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,success,,,,
1246,3.5,it3.5_AM-02_Imid-02_CA-10,AM-02-Imid-02-CA-10,CC1CN(C(=O)c2c[nH]cn2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_42,yes (in solvent front),n/a,success,*mass is in the solvent front,,['success'],['PHIPA-x11645'],['1.09'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,success,,,,
1247,3.5,it3.5_AM-02_Imid-02_CA-11,AM-02-Imid-02-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NCC3CC3)C(C)C2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_43,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12352'],['1.15'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1248,3.5,it3.5_AM-02_Imid-02_CA-12,AM-02-Imid-02-CA-12,CC1CN(C(=O)Cc2ccccc2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_44,yes,38%,success,,,['success'],['PHIPA-x11329'],['1.22'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1249,3.5,it3.5_AM-02_Imid-02_CA-13,AM-02-Imid-02-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NCC3CC3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_45,yes,58%,success,,,['success'],['PHIPA-x11330'],['1.14'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
1250,3.5,it3.5_AM-02_Imid-02_CA-14,AM-02-Imid-02-CA-14,CC1CN(C(=O)c2cccn2C)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_46,yes,50%,success,,,"['success', 'success', 'success']","['PHIPA-x11331', 'PHIPA-x12337', 'PHIPA-x12344']","['1.39', '1.32', '1.32']",yes,"['PHIPA-x11331', 'PHIPA-x12337', 'PHIPA-x12344', 'PHIPA-x12337', 'PHIPA-x12344']","['under 5S9H', '5S9H', 'under 5S9C', 'under 5S9H', 'under 5S9C']","['product', 'product', 'product', 'product', 'product']","['CC1CN(C(=O)c2cccn2C)CCN1C(=O)NCC1CC1', 'CC1CN(C(=O)c2cccn2C)CCN1C(=O)NCC1CC1', 'CC1CN(C(=O)c2cccn2C)CCN1C(=O)NCC1CC1', 'CC1CN(C(=O)c2cccn2C)CCN1C(=O)NCC1CC1', 'CC1CN(C(=O)c2cccn2C)CCN1C(=O)NCC1CC1']","['incomplete', 'to check', 'to check', 'ok', 'weak']","['cyclopropyl missing', '', '', 'nearly full - convincing', 'still evry weak']",AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
1251,3.5,it3.5_AM-02_Imid-02_CA-15,AM-02-Imid-02-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NCC3CC3)C(C)C2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_47,yes,50%,success,,,['success'],['PHIPA-x11332'],['1.17'],yes,['PHIPA-x11332'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound'],AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
1252,3.5,it3.5_AM-02_Imid-02_CA-16,AM-02-Imid-02-CA-16,CC1CN(C(=O)c2cccs2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_48,,,N/D,,,"['success', 'success']","['PHIPA-x11648', 'PHIPA-x12316']","['1.92', '1.56']",no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,N/D,,,,
1253,3.5,it3.5_AM-02_Imid-02_CA-17,AM-02-Imid-02-CA-17,CC1CN(C(=O)c2cncc(Br)c2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_49,yes,45%,success,,,"['Failed - low resolution', 'success']","['PHIPA-x11333', 'PHIPA-x11626']","['6.32', '1.41']",no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
1254,3.5,it3.5_AM-02_Imid-02_CA-18,AM-02-Imid-02-CA-18,CC1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_50,yes,54%,success,,,"['success', 'success']","['PHIPA-x11334', 'PHIPA-x11627']","['1.91', '1.12']",no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
1255,3.5,it3.5_AM-02_Imid-02_CA-19,AM-02-Imid-02-CA-19,CC1CN(C(=O)C#Cc2ccccc2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_51,yes,42%,success,,,['success'],['PHIPA-x11335'],['1.31'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1256,3.5,it3.5_AM-02_Imid-02_CA-20,AM-02-Imid-02-CA-20,CC1CN(C(=O)c2ccco2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_52,yes,54%,success,,,['success'],['PHIPA-x11336'],['1.46'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
1257,3.5,it3.5_AM-02_Imid-02_CA-21,AM-02-Imid-02-CA-21,CC1CN(C(=O)CNC(=O)OC(C)(C)C)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_53,yes,41%,success,,,['success'],['PHIPA-x11337'],['1.22'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
1258,3.5,it3.5_AM-02_Imid-02_CA-22,AM-02-Imid-02-CA-22,CC1CN(C(=O)c2ccoc2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_54,yes,59%,success,,,"['success', 'success', 'success']","['PHIPA-x11338', 'PHIPA-x12338', 'PHIPA-x12345']","['1.53', '1.58', '1.42']",yes,['PHIPA-x11338'],[''],['product'],['CC1CN(C(=O)c2ccoc2)CCN1C(=O)NCC1CC1'],['weak'],['very weak - fitted nut needs resoaking'],AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
1259,3.5,it3.5_AM-02_Imid-02_CA-23,AM-02-Imid-02-CA-23,CC1CN(C(=O)c2cscn2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_55,yes,68%,success,,,['success'],['PHIPA-x11339'],['1.37'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
1260,3.5,it3.5_AM-02_Imid-02_CA-24,AM-02-Imid-02-CA-24,CC1CN(C(=O)c2ccno2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_56,,,N/D,,,['success'],['PHIPA-x11649'],['1.09'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,N/D,,,,
1261,3.5,it3.5_AM-02_Imid-02_CA-25,AM-02-Imid-02-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NCC3CC3)C(C)C2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_57,yes,47%,success,,,['success'],['PHIPA-x11340'],['1.21'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1262,3.5,it3.5_AM-02_Imid-02_CA-26,AM-02-Imid-02-CA-26,CC1CN(C(=O)c2sccc2O)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_58,yes (weak ion),18%,success,*mass in the major peak but a weak ion,,"['success', 'success']","['PHIPA-x11341', 'PHIPA-x11628']","['1.92', '1.09']",no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1263,3.5,it3.5_AM-02_Imid-02_CA-27,AM-02-Imid-02-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NCC2CC2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_59,yes,36%,success,,,['success'],['PHIPA-x11342'],['1.37'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
1264,3.5,it3.5_AM-02_Imid-02_CA-28,AM-02-Imid-02-CA-28,CC1CN(C(=O)c2ncn[nH]2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_60,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
1265,3.5,it3.5_AM-02_Imid-02_CA-29,AM-02-Imid-02-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NCC3CC3)C(C)C2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_61,yes,38%,success,,,['success'],['PHIPA-x11343'],['1.26'],no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1266,3.5,it3.5_AM-02_Imid-02_CA-30,AM-02-Imid-02-CA-30,CC1CN(C(=O)c2sccc2F)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_62,yes,18%,success,,,"['Data processing fail', 'success']","['PHIPA-x11344', 'PHIPA-x11629']","['', '1.09']",no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1267,3.5,it3.5_AM-02_Imid-02_CA-31,AM-02-Imid-02-CA-31,CC1CN(C(=O)c2ccc(Cl)o2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_63,yes,38%,success,,,"['Data processing fail', 'Data processing fail', 'Data processing fail']","['PHIPA-x11345', 'PHIPA-x11630', 'PHIPA-x12321']","['', '', '']",no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1268,3.5,it3.5_AM-02_Imid-02_CA-32,AM-02-Imid-02-CA-32,CC1CN(C(=O)c2ncco2)CCN1C(=O)NCC1CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_64,,,N/D,,,"['success', 'success']","['PHIPA-x11642', 'PHIPA-x11653']","['1.27', '1.57']",no,,,,,,,AM-02,NCC1CC1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,N/D,,,,
1269,3.5,it3.5_AM-03_Imid-02_CA-01,AM-03-Imid-02-CA-01,CC1CN(C(=O)c2scc3c2OCCO3)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_65,yes,64%,success,,,['success'],['PHIPA-x11346'],['1.37'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
1270,3.5,it3.5_AM-03_Imid-02_CA-02,AM-03-Imid-02-CA-02,CC1CN(C(=O)c2cocn2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_66,yes,51%,success,,,"['success', 'success']","['PHIPA-x11347', 'PHIPA-x11631']","['1.93', '1.12']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
1271,3.5,it3.5_AM-03_Imid-02_CA-03,AM-03-Imid-02-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)C(C)C2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_67,yes,61%,success,,,['success'],['PHIPA-x11348'],['1.52'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
1272,3.5,it3.5_AM-03_Imid-02_CA-04,AM-03-Imid-02-CA-04,CC1CN(C(=O)c2ccnn2C)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_68,yes,52%,success,,,['success'],['PHIPA-x11349'],['1.3'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,success,,,,
1273,3.5,it3.5_AM-03_Imid-02_CA-05,AM-03-Imid-02-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCc2cccs2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_69,yes(trace),Trace,success,,,"['success', 'success']","['PHIPA-x11658', 'PHIPA-x12318']","['1.8', '1.25']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,success,,,,
1274,3.5,it3.5_AM-03_Imid-02_CA-06,AM-03-Imid-02-CA-06,CC1CN(C(=O)c2cn(C)cn2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_70,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,fail,,,,
1275,3.5,it3.5_AM-03_Imid-02_CA-07,AM-03-Imid-02-CA-07,CC1CN(C(=O)c2ccccn2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_71,yes,66%,success,,,"['success', 'success']","['PHIPA-x11350', 'PHIPA-x11632']","['1.94', '1.17']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
1276,3.5,it3.5_AM-03_Imid-02_CA-08,AM-03-Imid-02-CA-08,CC1CN(C(=O)c2ccc3ncsc3c2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_72,,,N/D,,,['success'],['PHIPA-x11659'],['1.26'],yes,['PHIPA-x11659'],['under 5S9G'],['SM'],['O=C(O)c1ccc2ncsc2c1'],['ok'],['SM bound not merged'],AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,N/D,,,,
1277,3.5,it3.5_AM-03_Imid-02_CA-09,AM-03-Imid-02-CA-09,CC1CN(C(=O)c2ccccc2O)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_73,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
1278,3.5,it3.5_AM-03_Imid-02_CA-10,AM-03-Imid-02-CA-10,CC1CN(C(=O)c2c[nH]cn2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_74,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
1279,3.5,it3.5_AM-03_Imid-02_CA-11,AM-03-Imid-02-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NCc3cccs3)C(C)C2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_75,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12353'],['1.26'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1280,3.5,it3.5_AM-03_Imid-02_CA-12,AM-03-Imid-02-CA-12,CC1CN(C(=O)Cc2ccccc2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_76,yes,52%,success,,,['success'],['PHIPA-x11351'],['1.47'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1281,3.5,it3.5_AM-03_Imid-02_CA-13,AM-03-Imid-02-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_77,yes,14%,success,,,['success'],['PHIPA-x11352'],['1.53'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
1282,3.5,it3.5_AM-03_Imid-02_CA-14,AM-03-Imid-02-CA-14,CC1CN(C(=O)c2cccn2C)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_78,yes,44%,success,,,['success'],['PHIPA-x11353'],['1.22'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
1283,3.5,it3.5_AM-03_Imid-02_CA-15,AM-03-Imid-02-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NCc3cccs3)C(C)C2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_79,yes,45%,success,,,['success'],['PHIPA-x11354'],['1.18'],yes,['PHIPA-x11354'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound - not merged'],AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
1284,3.5,it3.5_AM-03_Imid-02_CA-16,AM-03-Imid-02-CA-16,CC1CN(C(=O)c2cccs2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_80,,,N/D,,,"['success', 'success']","['PHIPA-x11661', 'PHIPA-x12313']","['2.51', '1.95']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,N/D,,,,
1285,3.5,it3.5_AM-03_Imid-02_CA-17,AM-03-Imid-02-CA-17,CC1CN(C(=O)c2cncc(Br)c2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_81,yes,39%,success,,,['success'],['PHIPA-x11355'],['1.52'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
1286,3.5,it3.5_AM-03_Imid-02_CA-18,AM-03-Imid-02-CA-18,CC1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_82,yes,32%,success,,,"['success', 'success']","['PHIPA-x11356', 'PHIPA-x11633']","['2.51', '1.25']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
1287,3.5,it3.5_AM-03_Imid-02_CA-19,AM-03-Imid-02-CA-19,CC1CN(C(=O)C#Cc2ccccc2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_83,yes,29%,success,,,['success'],['PHIPA-x11357'],['1.2'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1288,3.5,it3.5_AM-03_Imid-02_CA-20,AM-03-Imid-02-CA-20,CC1CN(C(=O)c2ccco2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_84,yes,23%,success,,,"['Data processing fail', 'Data processing fail', 'Data processing fail']","['PHIPA-x11358', 'PHIPA-x11634', 'PHIPA-x12322']","['', '', '']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
1289,3.5,it3.5_AM-03_Imid-02_CA-21,AM-03-Imid-02-CA-21,CC1CN(C(=O)CNC(=O)OC(C)(C)C)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_85,yes (deboc),Unknown - overlapping peaks,success,*Overlapping peaks in the mixture,,['success'],['PHIPA-x11665'],['1.09'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
1290,3.5,it3.5_AM-03_Imid-02_CA-22,AM-03-Imid-02-CA-22,CC1CN(C(=O)c2ccoc2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_86,yes,34%,success,,,['success'],['PHIPA-x11359'],['1.36'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
1291,3.5,it3.5_AM-03_Imid-02_CA-23,AM-03-Imid-02-CA-23,CC1CN(C(=O)c2cscn2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_87,yes,41%,success,,,['success'],['PHIPA-x11360'],['1.45'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
1292,3.5,it3.5_AM-03_Imid-02_CA-24,AM-03-Imid-02-CA-24,CC1CN(C(=O)c2ccno2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_88,,,N/D,,,['success'],['PHIPA-x11668'],['1.09'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,N/D,,,,
1293,3.5,it3.5_AM-03_Imid-02_CA-25,AM-03-Imid-02-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)C(C)C2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_89,yes,43%,success,,,['success'],['PHIPA-x11361'],['1.52'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1294,3.5,it3.5_AM-03_Imid-02_CA-26,AM-03-Imid-02-CA-26,CC1CN(C(=O)c2sccc2O)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_90,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1295,3.5,it3.5_AM-03_Imid-02_CA-27,AM-03-Imid-02-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NCc2cccs2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_91,yes,25%,success,,,['success'],['PHIPA-x11362'],['1.37'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
1296,3.5,it3.5_AM-03_Imid-02_CA-28,AM-03-Imid-02-CA-28,CC1CN(C(=O)c2ncn[nH]2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_92,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
1297,3.5,it3.5_AM-03_Imid-02_CA-29,AM-03-Imid-02-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NCc3cccs3)C(C)C2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_93,yes,40%,success,,,"['success', 'success', 'success']","['PHIPA-x11363', 'PHIPA-x12339', 'PHIPA-x12346']","['1.47', '1.37', '1.22']",yes,['PHIPA-x11363'],[''],['product'],['Cc1cc(C(=O)N2CCN(C(=O)NCc3cccs3)C(C)C2)oc1C'],['weak'],['too weak'],AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1298,3.5,it3.5_AM-03_Imid-02_CA-30,AM-03-Imid-02-CA-30,CC1CN(C(=O)c2sccc2F)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_94,yes,31%,success,,,['success'],['PHIPA-x11364'],['1.52'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1299,3.5,it3.5_AM-03_Imid-02_CA-31,AM-03-Imid-02-CA-31,CC1CN(C(=O)c2ccc(Cl)o2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_95,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1300,3.5,it3.5_AM-03_Imid-02_CA-32,AM-03-Imid-02-CA-32,CC1CN(C(=O)c2ncco2)CCN1C(=O)NCc1cccs1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_96,,,N/D,,,['success'],['PHIPA-x11669'],['1.09'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,N/D,,,,
1301,3.5,it3.5_AM-04_Imid-02_CA-01,AM-04-Imid-02-CA-01,CC1CN(C(=O)c2scc3c2OCCO3)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_97,yes,60%,success,,,['success'],['PHIPA-x11365'],['1.26'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
1302,3.5,it3.5_AM-04_Imid-02_CA-02,AM-04-Imid-02-CA-02,CC1CN(C(=O)c2cocn2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_98,yes,59%,success,,,"['success', 'success']","['PHIPA-x11366', 'PHIPA-x11638']","['2.31', '1.12']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
1303,3.5,it3.5_AM-04_Imid-02_CA-03,AM-04-Imid-02-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)C(C)C2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_99,yes,55%,success,,,['success'],['PHIPA-x11367'],['1.38'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
1304,3.5,it3.5_AM-04_Imid-02_CA-04,AM-04-Imid-02-CA-04,CC1CN(C(=O)c2ccnn2C)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_100,yes,57%,success,,,"['success', 'success']","['PHIPA-x11368', 'PHIPA-x11639']","['1.92', '1.26']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,success,,,,
1305,3.5,it3.5_AM-04_Imid-02_CA-05,AM-04-Imid-02-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCC(F)(F)F)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_101,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
1306,3.5,it3.5_AM-04_Imid-02_CA-06,AM-04-Imid-02-CA-06,CC1CN(C(=O)c2cn(C)cn2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_102,yes (in solvent front),N/a,success,Mass in the solvent front but not sure if it is just very very low levels,,"['success', 'success']","['PHIPA-x11670', 'PHIPA-x12317']","['1.8', '1.09']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,success,,,,
1307,3.5,it3.5_AM-04_Imid-02_CA-07,AM-04-Imid-02-CA-07,CC1CN(C(=O)c2ccccn2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_103,yes,27%,success,,,['success'],['PHIPA-x11369'],['1.46'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
1308,3.5,it3.5_AM-04_Imid-02_CA-08,AM-04-Imid-02-CA-08,CC1CN(C(=O)c2ccc3ncsc3c2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_104,yes,17%,success,,,['success'],['PHIPA-x11370'],['1.13'],yes,['PHIPA-x11370'],['under 5S9G'],['SM'],['O=C(O)c1ccc2ncsc2c1'],['ok'],['SM bound'],AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,success,,,,
1309,3.5,it3.5_AM-04_Imid-02_CA-09,AM-04-Imid-02-CA-09,CC1CN(C(=O)c2ccccc2O)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_105,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
1310,3.5,it3.5_AM-04_Imid-02_CA-10,AM-04-Imid-02-CA-10,CC1CN(C(=O)c2c[nH]cn2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_106,yes (in solvent front),N/a,success,*mass in solvent front but not sure if there is much of it,,['success'],['PHIPA-x11673'],['1.09'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,success,,,,
1311,3.5,it3.5_AM-04_Imid-02_CA-11,AM-04-Imid-02-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)C(C)C2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_107,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12354'],['1.54'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1312,3.5,it3.5_AM-04_Imid-02_CA-12,AM-04-Imid-02-CA-12,CC1CN(C(=O)Cc2ccccc2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_108,yes,40%,success,,,['success'],['PHIPA-x11371'],['1.2'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1313,3.5,it3.5_AM-04_Imid-02_CA-13,AM-04-Imid-02-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_109,yes,43%,success,,,['success'],['PHIPA-x11372'],['1.2'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
1314,3.5,it3.5_AM-04_Imid-02_CA-14,AM-04-Imid-02-CA-14,CC1CN(C(=O)c2cccn2C)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_110,yes,50%,success,,,['success'],['PHIPA-x11373'],['1.18'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
1315,3.5,it3.5_AM-04_Imid-02_CA-15,AM-04-Imid-02-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)C(C)C2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_111,yes,39%,success,,,['success'],['PHIPA-x11374'],['1.49'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
1316,3.5,it3.5_AM-04_Imid-02_CA-16,AM-04-Imid-02-CA-16,CC1CN(C(=O)c2cccs2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_112,yes,12%,success,,,['success'],['PHIPA-x11375'],['1.52'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,success,,,,
1317,3.5,it3.5_AM-04_Imid-02_CA-17,AM-04-Imid-02-CA-17,CC1CN(C(=O)c2cncc(Br)c2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_113,yes,53%,success,,,['success'],['PHIPA-x11376'],['1.1'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
1318,3.5,it3.5_AM-04_Imid-02_CA-18,AM-04-Imid-02-CA-18,CC1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_114,yes,46%,success,,,"['success', 'success']","['PHIPA-x11377', 'PHIPA-x11641']","['1.77', '1.51']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
1319,3.5,it3.5_AM-04_Imid-02_CA-19,AM-04-Imid-02-CA-19,CC1CN(C(=O)C#Cc2ccccc2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_115,yes,37%,success,,,['success'],['PHIPA-x11378'],['1.3'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1320,3.5,it3.5_AM-04_Imid-02_CA-20,AM-04-Imid-02-CA-20,CC1CN(C(=O)c2ccco2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_116,yes,58%,success,,,['success'],['PHIPA-x11379'],['1.24'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
1321,3.5,it3.5_AM-04_Imid-02_CA-21,AM-04-Imid-02-CA-21,CC1CN(C(=O)CNC(=O)OC(C)(C)C)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_117,yes(deboc),35%,success,Deboc on LCMS?,,['success'],['PHIPA-x11380'],['1.3'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
1322,3.5,it3.5_AM-04_Imid-02_CA-22,AM-04-Imid-02-CA-22,CC1CN(C(=O)c2ccoc2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_118,yes,45%,success,,,['success'],['PHIPA-x11381'],['1.52'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
1323,3.5,it3.5_AM-04_Imid-02_CA-23,AM-04-Imid-02-CA-23,CC1CN(C(=O)c2cscn2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_119,yes,63%,success,,,['success'],['PHIPA-x11382'],['1.29'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
1324,3.5,it3.5_AM-04_Imid-02_CA-24,AM-04-Imid-02-CA-24,CC1CN(C(=O)c2ccno2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_120,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,fail,,,,
1325,3.5,it3.5_AM-04_Imid-02_CA-25,AM-04-Imid-02-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)C(C)C2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_121,yes,37%,success,,,['success'],['PHIPA-x11383'],['1.26'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1326,3.5,it3.5_AM-04_Imid-02_CA-26,AM-04-Imid-02-CA-26,CC1CN(C(=O)c2sccc2O)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_122,*yes,16%,success,*Weak mass ion in the major peak,,"['success', 'success']","['PHIPA-x11384', 'PHIPA-x11644']","['1.76', '1.34']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1327,3.5,it3.5_AM-04_Imid-02_CA-27,AM-04-Imid-02-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NCC(F)(F)F)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_123,yes,33%,success,,,['success'],['PHIPA-x11385'],['1.29'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
1328,3.5,it3.5_AM-04_Imid-02_CA-28,AM-04-Imid-02-CA-28,CC1CN(C(=O)c2ncn[nH]2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_124,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
1329,3.5,it3.5_AM-04_Imid-02_CA-29,AM-04-Imid-02-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NCC(F)(F)F)C(C)C2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_125,yes,47%,success,,,['success'],['PHIPA-x11386'],['1.1'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1330,3.5,it3.5_AM-04_Imid-02_CA-30,AM-04-Imid-02-CA-30,CC1CN(C(=O)c2sccc2F)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_126,yes,20%,success,,,"['success', 'Data processing fail', 'success']","['PHIPA-x11387', 'PHIPA-x11646', 'PHIPA-x12323']","['2.8', '', '1.66']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1331,3.5,it3.5_AM-04_Imid-02_CA-31,AM-04-Imid-02-CA-31,CC1CN(C(=O)c2ccc(Cl)o2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_127,yes,38%,success,,,"['success', 'success', 'Data processing fail']","['PHIPA-x11388', 'PHIPA-x11647', 'PHIPA-x12312']","['2.76', '0.31', '']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1332,3.5,it3.5_AM-04_Imid-02_CA-32,AM-04-Imid-02-CA-32,CC1CN(C(=O)c2ncco2)CCN1C(=O)NCC(F)(F)F,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_128,yes,38%,success,,,['success'],['PHIPA-x11389'],['1.29'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,success,,,,
1333,3.5,it3.5_AM-05_Imid-02_CA-01,AM-05-Imid-02-CA-01,CC1CN(C(=O)c2scc3c2OCCO3)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_129,Trace,Trace,trace,,,['success'],['PHIPA-x11677'],['1.28'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,trace,,,,
1334,3.5,it3.5_AM-05_Imid-02_CA-02,AM-05-Imid-02-CA-02,CC1CN(C(=O)c2cocn2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_130,yes (in solvent front),N/a,success,*mass in solvent front but not sure if there is much of it,,['success'],['PHIPA-x11678'],['1.32'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
1335,3.5,it3.5_AM-05_Imid-02_CA-03,AM-05-Imid-02-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)C(C)C2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_131,yes (in solvent front),N/a,success,*mass in solvent front but not sure if there is much of it,,['success'],['PHIPA-x11679'],['1.32'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
1336,3.5,it3.5_AM-05_Imid-02_CA-04,AM-05-Imid-02-CA-04,CC1CN(C(=O)c2ccnn2C)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_132,yes (in solvent front),N/a,success,*mass in solvent front but not sure if there is much of it,,['success'],['PHIPA-x11680'],['1.09'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,success,,,,
1337,3.5,it3.5_AM-05_Imid-02_CA-05,AM-05-Imid-02-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCc2cccnc2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_133,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
1338,3.5,it3.5_AM-05_Imid-02_CA-06,AM-05-Imid-02-CA-06,CC1CN(C(=O)c2cn(C)cn2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_134,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,fail,,,,
1339,3.5,it3.5_AM-05_Imid-02_CA-07,AM-05-Imid-02-CA-07,CC1CN(C(=O)c2ccccn2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_135,yes (peak overlaps the solvent front),N/A,success,*Product in the solvent front,,['success'],['PHIPA-x11681'],['1.4'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
1340,3.5,it3.5_AM-05_Imid-02_CA-08,AM-05-Imid-02-CA-08,CC1CN(C(=O)c2ccc3ncsc3c2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_136,Unknown - range of the major peak is too low,72% (Major peak),no ms,,,['success'],['PHIPA-x11682'],['1.13'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,no ms,,,,
1341,3.5,it3.5_AM-05_Imid-02_CA-09,AM-05-Imid-02-CA-09,CC1CN(C(=O)c2ccccc2O)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_137,Unknown - no ionisation of the main peak,51%(Major peak),no ms,,,['success'],['PHIPA-x11683'],['1.16'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,no ms,,,,
1342,3.5,it3.5_AM-05_Imid-02_CA-10,AM-05-Imid-02-CA-10,CC1CN(C(=O)c2c[nH]cn2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_138,yes - overlapping the solvent front,Unknown,success,Peaks overlap the solvent front,,['success'],['PHIPA-x11684'],['1.47'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,success,,,,
1343,3.5,it3.5_AM-05_Imid-02_CA-11,AM-05-Imid-02-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NCc3cccnc3)C(C)C2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_139,to fill,to fill,to fill,to fill,to fill,"['success', 'success', 'success', 'success']","['PHIPA-x11685', 'PHIPA-x12343', 'PHIPA-x12350', 'PHIPA-x12355']","['1.16', '1.2', '1.63', '1.28']",yes,['PHIPA-x11685'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1N'],['ok'],['SM weakly bound'],AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1344,3.5,it3.5_AM-05_Imid-02_CA-12,AM-05-Imid-02-CA-12,CC1CN(C(=O)Cc2ccccc2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_140,yes - overlapping the solvent front,71%,success,,,['success'],['PHIPA-x11390'],['1.19'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1345,3.5,it3.5_AM-05_Imid-02_CA-13,AM-05-Imid-02-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_141,yes,54%,success,*Two peaks with the mass - could be the other smaller one is the product,,['success'],['PHIPA-x11391'],['1.09'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
1346,3.5,it3.5_AM-05_Imid-02_CA-14,AM-05-Imid-02-CA-14,CC1CN(C(=O)c2cccn2C)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_142,Yes (mass in solvent front),n/a,success,*mass in the solvent front but not sure if there is any real levels of product,,"['success', 'success']","['PHIPA-x11686', 'PHIPA-x12315']","['2.05', '1.3']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
1347,3.5,it3.5_AM-05_Imid-02_CA-15,AM-05-Imid-02-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NCc3cccnc3)C(C)C2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_143,Yes (mass in solvent front),n/a,success,*mass in the solvent front but not sure if there is any real levels of product,,['success'],['PHIPA-x11687'],['1.09'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
1348,3.5,it3.5_AM-05_Imid-02_CA-16,AM-05-Imid-02-CA-16,CC1CN(C(=O)c2cccs2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_144,Unknown - no ionisation of the main peak,50% (Major peak),no ms,,,['success'],['PHIPA-x11688'],['1.42'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,no ms,,,,
1349,3.5,it3.5_AM-05_Imid-02_CA-17,AM-05-Imid-02-CA-17,CC1CN(C(=O)c2cncc(Br)c2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_145,yes (in solvent front),N/a,success,*mass in solvent front but not sure if there is much of it,,['success'],['PHIPA-x11689'],['1.28'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
1350,3.5,it3.5_AM-05_Imid-02_CA-18,AM-05-Imid-02-CA-18,CC1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_146,yes,39%,success,,,['success'],['PHIPA-x11392'],['1.3'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
1351,3.5,it3.5_AM-05_Imid-02_CA-19,AM-05-Imid-02-CA-19,CC1CN(C(=O)C#Cc2ccccc2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_147,yes,70%,success,,,['success'],['PHIPA-x11393'],['1.44'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1352,3.5,it3.5_AM-05_Imid-02_CA-20,AM-05-Imid-02-CA-20,CC1CN(C(=O)c2ccco2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_148,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,fail,,,,
1353,3.5,it3.5_AM-05_Imid-02_CA-21,AM-05-Imid-02-CA-21,CC1CN(C(=O)CNC(=O)OC(C)(C)C)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_149,yes,75%,success,,,['success'],['PHIPA-x11394'],['1.3'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
1354,3.5,it3.5_AM-05_Imid-02_CA-22,AM-05-Imid-02-CA-22,CC1CN(C(=O)c2ccoc2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_150,yes (in solvent front),N/a,success,*mass in solvent front but not sure if there is much of it,,['success'],['PHIPA-x11690'],['1.26'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
1355,3.5,it3.5_AM-05_Imid-02_CA-23,AM-05-Imid-02-CA-23,CC1CN(C(=O)c2cscn2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_151,yes (in solvent front),N/a,success,*mass in solvent front but not sure if there is much of it,,['success'],['PHIPA-x11691'],['1.41'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
1356,3.5,it3.5_AM-05_Imid-02_CA-24,AM-05-Imid-02-CA-24,CC1CN(C(=O)c2ccno2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_152,yes (in solvent front),N/a,success,*mass in solvent front but not sure if there is much of it,,['success'],['PHIPA-x11692'],['1.15'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,success,,,,
1357,3.5,it3.5_AM-05_Imid-02_CA-25,AM-05-Imid-02-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)C(C)C2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_153,yes (in solvent front),N/a,success,*mass in solvent front but not sure if there is much of it,,['success'],['PHIPA-x11693'],['1.11'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1358,3.5,it3.5_AM-05_Imid-02_CA-26,AM-05-Imid-02-CA-26,CC1CN(C(=O)c2sccc2O)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_154,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1359,3.5,it3.5_AM-05_Imid-02_CA-27,AM-05-Imid-02-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NCc2cccnc2)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_155,yes (in solvent front),N/a,success,*mass in solvent front but not sure if there is much of it,,['success'],['PHIPA-x11694'],['1.53'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
1360,3.5,it3.5_AM-05_Imid-02_CA-28,AM-05-Imid-02-CA-28,CC1CN(C(=O)c2ncn[nH]2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_156,yes (in solvent front),57%,success,,,['success'],['PHIPA-x11395'],['1.53'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,success,,,,
1361,3.5,it3.5_AM-05_Imid-02_CA-29,AM-05-Imid-02-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NCc3cccnc3)C(C)C2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_157,yes,68%,success,,,"['success', 'Data processing fail', 'success']","['PHIPA-x11396', 'PHIPA-x11650', 'PHIPA-x12324']","['2.09', '', '1.54']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1362,3.5,it3.5_AM-05_Imid-02_CA-30,AM-05-Imid-02-CA-30,CC1CN(C(=O)c2sccc2F)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_158,yes (in solvent front) - no ionisation of the main peak,72%(main peak),success,*No m/s of main peak but solvent front has the mass in it,,['success'],['PHIPA-x11695'],['1.45'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1363,3.5,it3.5_AM-05_Imid-02_CA-31,AM-05-Imid-02-CA-31,CC1CN(C(=O)c2ccc(Cl)o2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_159,Unknown - no m/s of the single product peak,48%,no ms,,,['success'],['PHIPA-x11397'],['1.09'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,no ms,,,,
1364,3.5,it3.5_AM-05_Imid-02_CA-32,AM-05-Imid-02-CA-32,CC1CN(C(=O)c2ncco2)CCN1C(=O)NCc1cccnc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_160,yes (in solvent front),N/a,success,*mass in solvent front but not sure if there is much of it,,['success'],['PHIPA-x11697'],['1.18'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,success,,,,
1365,3.5,it3.5_AM-06_Imid-02_CA-01,AM-06-Imid-02-CA-01,COc1ccc(NC(=O)N2CCN(C(=O)c3scc4c3OCCO4)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_161,yes,52%,success,,,['success'],['PHIPA-x11398'],['1.52'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
1366,3.5,it3.5_AM-06_Imid-02_CA-02,AM-06-Imid-02-CA-02,COc1ccc(NC(=O)N2CCN(C(=O)c3cocn3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_162,yes,42%,success,,,['success'],['PHIPA-x11399'],['1.47'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
1367,3.5,it3.5_AM-06_Imid-02_CA-03,AM-06-Imid-02-CA-03,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)c(N)c3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_163,yes,56%,success,,,"['success', 'success']","['PHIPA-x11400', 'PHIPA-x11651']","['1.92', '1.3']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
1368,3.5,it3.5_AM-06_Imid-02_CA-04,AM-06-Imid-02-CA-04,COc1ccc(NC(=O)N2CCN(C(=O)c3ccnn3C)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_164,yes,45%,success,,,"['success', 'success']","['PHIPA-x11401', 'PHIPA-x11652']","['2.03', '1.35']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,success,,,,
1369,3.5,it3.5_AM-06_Imid-02_CA-05,AM-06-Imid-02-CA-05,COc1ccc(NC(=O)N2CCN(C(=O)c3c(OC)cccc3OC)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_165,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
1370,3.5,it3.5_AM-06_Imid-02_CA-06,AM-06-Imid-02-CA-06,COc1ccc(NC(=O)N2CCN(C(=O)c3cn(C)cn3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_166,yes,Trace,success,Mass present but weak and messy profile,,['success'],['PHIPA-x11700'],['1.09'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,success,,,,
1371,3.5,it3.5_AM-06_Imid-02_CA-07,AM-06-Imid-02-CA-07,COc1ccc(NC(=O)N2CCN(C(=O)c3ccccn3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_167,yes,44%,success,,,"['success', 'success']","['PHIPA-x11402', 'PHIPA-x11654']","['1.95', '1.53']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
1372,3.5,it3.5_AM-06_Imid-02_CA-08,AM-06-Imid-02-CA-08,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc4ncsc4c3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_168,yes,47%,success,,,"['Failed - low resolution', 'success']","['PHIPA-x11403', 'PHIPA-x11655']","['3.59', '1.33']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,success,,,,
1373,3.5,it3.5_AM-06_Imid-02_CA-09,AM-06-Imid-02-CA-09,COc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3O)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_169,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
1374,3.5,it3.5_AM-06_Imid-02_CA-10,AM-06-Imid-02-CA-10,COc1ccc(NC(=O)N2CCN(C(=O)c3c[nH]cn3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_170,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,fail,,,,
1375,3.5,it3.5_AM-06_Imid-02_CA-11,AM-06-Imid-02-CA-11,COc1ccc(NC(=O)N2CCN(C(=O)c3cccc(C)c3N)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_171,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12356'],['1.49'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1376,3.5,it3.5_AM-06_Imid-02_CA-12,AM-06-Imid-02-CA-12,COc1ccc(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_172,yes,55%,success,,,"['success', 'success']","['PHIPA-x11404', 'PHIPA-x11656']","['2.23', '1.47']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1377,3.5,it3.5_AM-06_Imid-02_CA-13,AM-06-Imid-02-CA-13,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_173,yes,41%,success,,,"['Failed - low resolution', 'success']","['PHIPA-x11405', 'PHIPA-x11657']","['3.53', '1.29']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
1378,3.5,it3.5_AM-06_Imid-02_CA-14,AM-06-Imid-02-CA-14,COc1ccc(NC(=O)N2CCN(C(=O)c3cccn3C)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_174,yes,43%,success,,,['success'],['PHIPA-x11406'],['1.48'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
1379,3.5,it3.5_AM-06_Imid-02_CA-15,AM-06-Imid-02-CA-15,COc1ccc(NC(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_175,yes,43%,success,,,['success'],['PHIPA-x11407'],['1.44'],yes,['PHIPA-x11407'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound'],AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
1380,3.5,it3.5_AM-06_Imid-02_CA-16,AM-06-Imid-02-CA-16,COc1ccc(NC(=O)N2CCN(C(=O)c3cccs3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_176,yes,41%,success,,,['success'],['PHIPA-x11408'],['1.47'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,success,,,,
1381,3.5,it3.5_AM-06_Imid-02_CA-17,AM-06-Imid-02-CA-17,COc1ccc(NC(=O)N2CCN(C(=O)c3cncc(Br)c3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_177,Unknown - no m/s of the main major peak,61% (major peak),no ms,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11701', 'PHIPA-x12332']","['', '']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,no ms,,,,
1382,3.5,it3.5_AM-06_Imid-02_CA-18,AM-06-Imid-02-CA-18,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_178,yes,33%,success,,,"['success', 'Data processing fail', 'Data processing fail']","['PHIPA-x11409', 'PHIPA-x11660', 'PHIPA-x12325']","['2.86', '', '']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
1383,3.5,it3.5_AM-06_Imid-02_CA-19,AM-06-Imid-02-CA-19,COc1ccc(NC(=O)N2CCN(C(=O)C#Cc3ccccc3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_179,yes,30%,success,,,['success'],['PHIPA-x11410'],['1.36'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1384,3.5,it3.5_AM-06_Imid-02_CA-20,AM-06-Imid-02-CA-20,COc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_180,yes,43%,success,,,"['success', 'Data processing fail', 'Data processing fail']","['PHIPA-x11411', 'PHIPA-x11662', 'PHIPA-x12326']","['2.72', '', '']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
1385,3.5,it3.5_AM-06_Imid-02_CA-21,AM-06-Imid-02-CA-21,COc1ccc(NC(=O)N2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_181,yes (but weak),58%,success,*mass in main peak but weak,,"['success', 'Data processing fail', 'Data processing fail']","['PHIPA-x11412', 'PHIPA-x11663', 'PHIPA-x12327']","['1.64', '', '']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
1386,3.5,it3.5_AM-06_Imid-02_CA-22,AM-06-Imid-02-CA-22,COc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_182,yes,53%,success,,,['success'],['PHIPA-x11413'],['1.52'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
1387,3.5,it3.5_AM-06_Imid-02_CA-23,AM-06-Imid-02-CA-23,COc1ccc(NC(=O)N2CCN(C(=O)c3cscn3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_183,yes,47%,success,,,"['Data processing fail', 'Data processing fail', 'Data processing fail']","['PHIPA-x11414', 'PHIPA-x11664', 'PHIPA-x12328']","['', '', '']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
1388,3.5,it3.5_AM-06_Imid-02_CA-24,AM-06-Imid-02-CA-24,COc1ccc(NC(=O)N2CCN(C(=O)c3ccno3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_184,yes,54%,success,,,"['Data processing fail', 'Data processing fail', 'Data processing fail']","['PHIPA-x11415', 'PHIPA-x11666', 'PHIPA-x12329']","['', '', '']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,success,,,,
1389,3.5,it3.5_AM-06_Imid-02_CA-25,AM-06-Imid-02-CA-25,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)o3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_185,yes,71%,success,,,"['success', 'success']","['PHIPA-x11416', 'PHIPA-x11667']","['2.29', '1.18']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1390,3.5,it3.5_AM-06_Imid-02_CA-26,AM-06-Imid-02-CA-26,COc1ccc(NC(=O)N2CCN(C(=O)c3sccc3O)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_186,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1391,3.5,it3.5_AM-06_Imid-02_CA-27,AM-06-Imid-02-CA-27,COc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_187,yes,62%,success,,,['success'],['PHIPA-x11417'],['1.29'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
1392,3.5,it3.5_AM-06_Imid-02_CA-28,AM-06-Imid-02-CA-28,COc1ccc(NC(=O)N2CCN(C(=O)c3ncn[nH]3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_188,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
1393,3.5,it3.5_AM-06_Imid-02_CA-29,AM-06-Imid-02-CA-29,COc1ccc(NC(=O)N2CCN(C(=O)c3cc(C)c(C)o3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_189,yes,40%,success,,,['success'],['PHIPA-x11418'],['1.29'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1394,3.5,it3.5_AM-06_Imid-02_CA-30,AM-06-Imid-02-CA-30,COc1ccc(NC(=O)N2CCN(C(=O)c3sccc3F)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_190,yes,46%,success,,,"['success', 'success', 'success']","['PHIPA-x11419', 'PHIPA-x12340', 'PHIPA-x12347']","['1.44', '1.41', '1.85']",yes,"['PHIPA-x11419', 'PHIPA-x12340']","['under 5S9I', '5S9I']","['product', 'product']","['COc1ccc(NC(=O)N2CCN(C(=O)c3sccc3F)CC2C)cc1', 'COc1ccc(NC(=O)N2CCN(C(=O)c3sccc3F)CC2C)cc1']","['weak', 'to check']","['very weak to resoak', '']",AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1395,3.5,it3.5_AM-06_Imid-02_CA-31,AM-06-Imid-02-CA-31,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)o3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_191,yes,54%,success,,,['success'],['PHIPA-x11420'],['1.37'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1396,3.5,it3.5_AM-06_Imid-02_CA-32,AM-06-Imid-02-CA-32,COc1ccc(NC(=O)N2CCN(C(=O)c3ncco3)CC2C)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_192,yes,37%,success,,,['success'],['PHIPA-x11421'],['1.1'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,success,,,,
1397,3.5,it3.5_AM-07_Imid-02_CA-01,AM-07-Imid-02-CA-01,CCCCNC(=O)N1CCN(C(=O)c2scc3c2OCCO3)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_193,yes,46%,success,,,['success'],['PHIPA-x11422'],['1.13'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
1398,3.5,it3.5_AM-07_Imid-02_CA-02,AM-07-Imid-02-CA-02,CCCCNC(=O)N1CCN(C(=O)c2cocn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_194,yes,31%,success,,,['success'],['PHIPA-x11423'],['1.23'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
1399,3.5,it3.5_AM-07_Imid-02_CA-03,AM-07-Imid-02-CA-03,CCCCNC(=O)N1CCN(C(=O)c2ccc(C)c(N)c2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_195,yes,24%,success,*two very close running peaks,,['success'],['PHIPA-x11424'],['1.33'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
1400,3.5,it3.5_AM-07_Imid-02_CA-04,AM-07-Imid-02-CA-04,CCCCNC(=O)N1CCN(C(=O)c2ccnn2C)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_196,yes,16%,success,*mixture with close running peaks,,"['success', 'Data processing fail', 'Data processing fail']","['PHIPA-x11425', 'PHIPA-x11671', 'PHIPA-x12330']","['1.62', '', '']",no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,success,,,,
1401,3.5,it3.5_AM-07_Imid-02_CA-05,AM-07-Imid-02-CA-05,CCCCNC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_197,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,fail,,,,
1402,3.5,it3.5_AM-07_Imid-02_CA-06,AM-07-Imid-02-CA-06,CCCCNC(=O)N1CCN(C(=O)c2cn(C)cn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_198,Trace,Trace,trace,Mass present but very very weak peak,,['success'],['PHIPA-x11702'],['1.09'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,trace,,,,
1403,3.5,it3.5_AM-07_Imid-02_CA-07,AM-07-Imid-02-CA-07,CCCCNC(=O)N1CCN(C(=O)c2ccccn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_199,yes,26%,success,,,"['success', 'success']","['PHIPA-x11426', 'PHIPA-x11672']","['1.79', '1.49']",no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
1404,3.5,it3.5_AM-07_Imid-02_CA-08,AM-07-Imid-02-CA-08,CCCCNC(=O)N1CCN(C(=O)c2ccc3ncsc3c2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_200,yes,54%,success,,,['success'],['PHIPA-x11427'],['1.21'],yes,['PHIPA-x11427'],['under 5S9G'],['SM'],['O=C(O)c1ccc2ncsc2c1'],['ok'],['SM bound - not merged'],AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,success,,,,
1405,3.5,it3.5_AM-07_Imid-02_CA-09,AM-07-Imid-02-CA-09,CCCCNC(=O)N1CCN(C(=O)c2ccccc2O)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_201,no,0%,fail,*Side reactions,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
1406,3.5,it3.5_AM-07_Imid-02_CA-10,AM-07-Imid-02-CA-10,CCCCNC(=O)N1CCN(C(=O)c2c[nH]cn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_202,yes (in the solvent front),Unknown,success,*Peak in the solvent front with the correct mass,,['success'],['PHIPA-x11703'],['1.09'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,success,,,,
1407,3.5,it3.5_AM-07_Imid-02_CA-11,AM-07-Imid-02-CA-11,CCCCNC(=O)N1CCN(C(=O)c2cccc(C)c2N)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_203,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12357'],['1.25'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1408,3.5,it3.5_AM-07_Imid-02_CA-12,AM-07-Imid-02-CA-12,CCCCNC(=O)N1CCN(C(=O)Cc2ccccc2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_204,yes,25%,success,,,['success'],['PHIPA-x11428'],['1.16'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1409,3.5,it3.5_AM-07_Imid-02_CA-13,AM-07-Imid-02-CA-13,CCCCNC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_205,yes,18%,success,,,['success'],['PHIPA-x11429'],['1.48'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
1410,3.5,it3.5_AM-07_Imid-02_CA-14,AM-07-Imid-02-CA-14,CCCCNC(=O)N1CCN(C(=O)c2cccn2C)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_206,yes,54%,success,,,['success'],['PHIPA-x11430'],['1.3'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
1411,3.5,it3.5_AM-07_Imid-02_CA-15,AM-07-Imid-02-CA-15,CCCCNC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_207,yes,57%,success,,,['success'],['PHIPA-x11431'],['1.3'],yes,['PHIPA-x11431'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound'],AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
1412,3.5,it3.5_AM-07_Imid-02_CA-16,AM-07-Imid-02-CA-16,CCCCNC(=O)N1CCN(C(=O)c2cccs2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_208,yes,11%,success,,,['success'],['PHIPA-x11432'],['1.56'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,success,,,,
1413,3.5,it3.5_AM-07_Imid-02_CA-17,AM-07-Imid-02-CA-17,CCCCNC(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_209,yes,43%,success,*slight overlapping peaks,,['success'],['PHIPA-x11433'],['1.09'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
1414,3.5,it3.5_AM-07_Imid-02_CA-18,AM-07-Imid-02-CA-18,CCCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_210,yes,22%,success,,,"['Data processing fail', 'Data processing fail', 'Data processing fail']","['PHIPA-x11434', 'PHIPA-x11674', 'PHIPA-x12331']","['', '', '']",no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
1415,3.5,it3.5_AM-07_Imid-02_CA-19,AM-07-Imid-02-CA-19,CCCCNC(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_211,yes,26%,success,,,['success'],['PHIPA-x11435'],['1.3'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1416,3.5,it3.5_AM-07_Imid-02_CA-20,AM-07-Imid-02-CA-20,CCCCNC(=O)N1CCN(C(=O)c2ccco2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_212,yes,35%,success,,,"['success', 'success', 'success']","['PHIPA-x11436', 'PHIPA-x11675', 'PHIPA-x12319']","['1.71', '1.67', '2.53']",yes,['PHIPA-x12319'],[''],['product'],['CCCCNC(=O)N1CCN(C(=O)c2ccco2)CC1C'],['weak'],['hardly anything'],AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,success,,,,
1417,3.5,it3.5_AM-07_Imid-02_CA-21,AM-07-Imid-02-CA-21,CCCCNC(=O)N1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_213,yes,19%,success,,,['success'],['PHIPA-x11437'],['1.13'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
1418,3.5,it3.5_AM-07_Imid-02_CA-22,AM-07-Imid-02-CA-22,CCCCNC(=O)N1CCN(C(=O)c2ccoc2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_214,Unknown - no m/s of the main peak,34% (Major peak),no ms,,,['success'],['PHIPA-x11704'],['1.5'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,no ms,,,,
1419,3.5,it3.5_AM-07_Imid-02_CA-23,AM-07-Imid-02-CA-23,CCCCNC(=O)N1CCN(C(=O)c2cscn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_215,yes,21%,success,,,['success'],['PHIPA-x11438'],['1.13'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
1420,3.5,it3.5_AM-07_Imid-02_CA-24,AM-07-Imid-02-CA-24,CCCCNC(=O)N1CCN(C(=O)c2ccno2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_216,yes,30%,success,,,['success'],['PHIPA-x11439'],['1.28'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,success,,,,
1421,3.5,it3.5_AM-07_Imid-02_CA-25,AM-07-Imid-02-CA-25,CCCCNC(=O)N1CCN(C(=O)c2ccc(C)o2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_217,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1422,3.5,it3.5_AM-07_Imid-02_CA-26,AM-07-Imid-02-CA-26,CCCCNC(=O)N1CCN(C(=O)c2sccc2O)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_218,maybe - weak mass,Trace,success,*very messy and weak product mass only,,['success'],['PHIPA-x11705'],['1.12'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1423,3.5,it3.5_AM-07_Imid-02_CA-27,AM-07-Imid-02-CA-27,CCCCNC(=O)N1CCN(C(=O)c2ccoc2C)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_219,yes,28%,success,,,['success'],['PHIPA-x11440'],['1.22'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
1424,3.5,it3.5_AM-07_Imid-02_CA-28,AM-07-Imid-02-CA-28,CCCCNC(=O)N1CCN(C(=O)c2ncn[nH]2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_220,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
1425,3.5,it3.5_AM-07_Imid-02_CA-29,AM-07-Imid-02-CA-29,CCCCNC(=O)N1CCN(C(=O)c2cc(C)c(C)o2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_221,yes,45%,success,,,['success'],['PHIPA-x11441'],['1.29'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1426,3.5,it3.5_AM-07_Imid-02_CA-30,AM-07-Imid-02-CA-30,CCCCNC(=O)N1CCN(C(=O)c2sccc2F)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_222,yes,10%,success,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11706', 'PHIPA-x12333']","['', '']",no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1427,3.5,it3.5_AM-07_Imid-02_CA-31,AM-07-Imid-02-CA-31,CCCCNC(=O)N1CCN(C(=O)c2ccc(Cl)o2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_223,yes,16%,success,,,"['success', 'success']","['PHIPA-x11442', 'PHIPA-x11676']","['2.26', '1.4']",no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1428,3.5,it3.5_AM-07_Imid-02_CA-32,AM-07-Imid-02-CA-32,CCCCNC(=O)N1CCN(C(=O)c2ncco2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_224,yes,42%,success,,,['success'],['PHIPA-x11443'],['1.52'],no,,,,,,,AM-07,CCCCN,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,success,,,,
1429,3.5,it3.5_AM-08_Imid-02_CA-01,AM-08-Imid-02-CA-01,CC(C)NC(=O)N1CCN(C(=O)c2scc3c2OCCO3)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_225,yes,30%,success,,,['success'],['PHIPA-x11444'],['1.23'],yes,['PHIPA-x11444'],['under 5S99'],['SM'],['O=C(O)c1scc2c1OCCO2'],['ok'],['SM bound'],AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,,,,,,,,,,,,X20706,success,,,,
1430,3.5,it3.5_AM-08_Imid-02_CA-02,AM-08-Imid-02-CA-02,CC(C)NC(=O)N1CCN(C(=O)c2cocn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_226,yes,33%,success,,,['success'],['PHIPA-x11445'],['1.37'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,,,,,,,,,,,,X20706,success,,,,
1431,3.5,it3.5_AM-08_Imid-02_CA-03,AM-08-Imid-02-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NC(C)C)C(C)C2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_227,yes,34%,success,,,['success'],['PHIPA-x11446'],['1.1'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,,,,,,,,,,,,X20706,success,,,,
1432,3.5,it3.5_AM-08_Imid-02_CA-04,AM-08-Imid-02-CA-04,CC(C)NC(=O)N1CCN(C(=O)c2ccnn2C)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_228,yes,40%,success,,,['success'],['PHIPA-x11447'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,,,,,,,,,,,,X20706,success,,,,
1433,3.5,it3.5_AM-08_Imid-02_CA-05,AM-08-Imid-02-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NC(C)C)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_229,yes,55%,success,,,['success'],['PHIPA-x11448'],['1.13'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,,,,,,,,,,,,X20706,success,,,,
1434,3.5,it3.5_AM-08_Imid-02_CA-06,AM-08-Imid-02-CA-06,CC(C)NC(=O)N1CCN(C(=O)c2cn(C)cn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_230,yes (overlapping peaks),n/a,success,*product peak overlaps the solvent peak,,"['Data processing fail', 'success']","['PHIPA-x11707', 'PHIPA-x12334']","['', '1.32']",no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,,,,,,,,,,,,X20706,success,,,,
1435,3.5,it3.5_AM-08_Imid-02_CA-07,AM-08-Imid-02-CA-07,CC(C)NC(=O)N1CCN(C(=O)c2ccccn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_231,yes,15%,success,,,['success'],['PHIPA-x11449'],['1.35'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,,,,,,,,,,,,X20706,success,,,,
1436,3.5,it3.5_AM-08_Imid-02_CA-08,AM-08-Imid-02-CA-08,CC(C)NC(=O)N1CCN(C(=O)c2ccc3ncsc3c2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_232,yes,11%,success,,,['success'],['PHIPA-x11450'],['1.29'],yes,['PHIPA-x11450'],['under 5S9G'],['SM'],['O=C(O)c1ccc2ncsc2c1'],['ok'],['SM bound'],AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,,,,,,,,,,,,X20706,success,,,,
1437,3.5,it3.5_AM-08_Imid-02_CA-09,AM-08-Imid-02-CA-09,CC(C)NC(=O)N1CCN(C(=O)c2ccccc2O)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_233,no,0%,fail,Side reactions,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,,,,,,,,,,,,X20706,fail,,,,
1438,3.5,it3.5_AM-08_Imid-02_CA-10,AM-08-Imid-02-CA-10,CC(C)NC(=O)N1CCN(C(=O)c2c[nH]cn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_234,yes but overlaps the solvent front,n/a,success,*several peaks at the solvent front,,['success'],['PHIPA-x11708'],['1.16'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,,,,,,,,,,,,X20706,success,,,,
1439,3.5,it3.5_AM-08_Imid-02_CA-11,AM-08-Imid-02-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NC(C)C)C(C)C2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_235,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12358'],['1.15'],yes,['PHIPA-x12358'],['5S9J'],['SM'],['COc1c(N)c(C(O)=O)ccc1'],['ok'],['SM - ok'],AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,,,,,,,,,,,,X20706,to fill,,,,
1440,3.5,it3.5_AM-08_Imid-02_CA-12,AM-08-Imid-02-CA-12,CC(C)NC(=O)N1CCN(C(=O)Cc2ccccc2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_236,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,fail,,,,
1441,3.5,it3.5_AM-08_Imid-02_CA-13,AM-08-Imid-02-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NC(C)C)C(C)C2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_237,yes,46%,success,,,['success'],['PHIPA-x11451'],['1.29'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,,,,,,,,,,,,X20706,success,,,,
1442,3.5,it3.5_AM-08_Imid-02_CA-14,AM-08-Imid-02-CA-14,CC(C)NC(=O)N1CCN(C(=O)c2cccn2C)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_238,yes,76%,success,,,['success'],['PHIPA-x11452'],['1.26'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,,,,,,,,,,,,X20706,success,,,,
1443,3.5,it3.5_AM-08_Imid-02_CA-15,AM-08-Imid-02-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NC(C)C)C(C)C2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_239,yes,62%,success,,,"['success', 'success']","['PHIPA-x11453', 'PHIPA-x11696']","['2.31', '1.13']",no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,,,,,,,,,,,,X20706,success,,,,
1444,3.5,it3.5_AM-08_Imid-02_CA-16,AM-08-Imid-02-CA-16,CC(C)NC(=O)N1CCN(C(=O)c2cccs2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_240,yes,4%,success,*large unknown peak (ionisation range doesn't extend to product mass),,"['success', 'success']","['PHIPA-x11709', 'PHIPA-x12314']","['2.11', '2.70']",no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,,,,,,,,,,,,X20706,success,,,,
1445,3.5,it3.5_AM-08_Imid-02_CA-17,AM-08-Imid-02-CA-17,CC(C)NC(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_241,yes,26%,success,,,"['Data processing fail', 'success']","['PHIPA-x11454', 'PHIPA-x11698']","['', '1.09']",no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,,,,,,,,,,,,X20706,success,,,,
1446,3.5,it3.5_AM-08_Imid-02_CA-18,AM-08-Imid-02-CA-18,CC(C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_242,yes,27%,success,,,['success'],['PHIPA-x11455'],['1.47'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,,,,,,,,,,,,X20706,success,,,,
1447,3.5,it3.5_AM-08_Imid-02_CA-19,AM-08-Imid-02-CA-19,CC(C)NC(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_243,yes,21%,success,,,"['success', 'success']","['PHIPA-x11456', 'PHIPA-x11699']","['1.87', '1.39']",no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,,,,,,,,,,,,X20706,success,,,,
1448,3.5,it3.5_AM-08_Imid-02_CA-20,AM-08-Imid-02-CA-20,CC(C)NC(=O)N1CCN(C(=O)c2ccco2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_244,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,,,,,,,,,,,,X20706,fail,,,,
1449,3.5,it3.5_AM-08_Imid-02_CA-21,AM-08-Imid-02-CA-21,CC(C)NC(=O)N1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_245,yes,26%,success,weak spectra,,['success'],['PHIPA-x11457'],['1.18'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,,,,,,,,,,,,X20706,success,,,,
1450,3.5,it3.5_AM-08_Imid-02_CA-22,AM-08-Imid-02-CA-22,CC(C)NC(=O)N1CCN(C(=O)c2ccoc2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_246,yes,16%,success,,,['success'],['PHIPA-x11458'],['1.14'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,,,,,,,,,,,,X20706,success,,,,
1451,3.5,it3.5_AM-08_Imid-02_CA-23,AM-08-Imid-02-CA-23,CC(C)NC(=O)N1CCN(C(=O)c2cscn2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_247,yes,17%,success,weak spectra,,['success'],['PHIPA-x11459'],['1.29'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,,,,,,,,,,,,X20706,success,,,,
1452,3.5,it3.5_AM-08_Imid-02_CA-24,AM-08-Imid-02-CA-24,CC(C)NC(=O)N1CCN(C(=O)c2ccno2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_248,yes,14%,success,,,['success'],['PHIPA-x11460'],['1.48'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,,,,,,,,,,,,X20706,success,,,,
1453,3.5,it3.5_AM-08_Imid-02_CA-25,AM-08-Imid-02-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NC(C)C)C(C)C2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_249,Unknown - major peak has no m/s trace,60% (Major peak),no ms,,,"['Data processing fail', 'success']","['PHIPA-x11710', 'PHIPA-x12335']","['', '1.59']",no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,no ms,,,,
1454,3.5,it3.5_AM-08_Imid-02_CA-26,AM-08-Imid-02-CA-26,CC(C)NC(=O)N1CCN(C(=O)c2sccc2O)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_250,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,fail,,,,
1455,3.5,it3.5_AM-08_Imid-02_CA-27,AM-08-Imid-02-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NC(C)C)C(C)C1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_251,yes,50%,success,,,['success'],['PHIPA-x11461'],['1.3'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,,,,,,,,,,,,X20706,success,,,,
1456,3.5,it3.5_AM-08_Imid-02_CA-28,AM-08-Imid-02-CA-28,CC(C)NC(=O)N1CCN(C(=O)c2ncn[nH]2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_252,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,,,,,,,,,,,,X20706,fail,,,,
1457,3.5,it3.5_AM-08_Imid-02_CA-29,AM-08-Imid-02-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NC(C)C)C(C)C2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_253,yes,65%,success,,,['success'],['PHIPA-x11462'],['1.44'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1458,3.5,it3.5_AM-08_Imid-02_CA-30,AM-08-Imid-02-CA-30,CC(C)NC(=O)N1CCN(C(=O)c2sccc2F)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_254,yes,8%,success,*Large peak with no m/s also present,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11711', 'PHIPA-x12336']","['', '']",no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1459,3.5,it3.5_AM-08_Imid-02_CA-31,AM-08-Imid-02-CA-31,CC(C)NC(=O)N1CCN(C(=O)c2ccc(Cl)o2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_255,yes,72%,success,,,['success'],['PHIPA-x11463'],['1.58'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,,,,,,,,,,,,X20706,success,,,,
1460,3.5,it3.5_AM-08_Imid-02_CA-32,AM-08-Imid-02-CA-32,CC(C)NC(=O)N1CCN(C(=O)c2ncco2)CC1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_02,it3.5-final-series2-amide_256,yes,9%,success,*weak spectra,,['success'],['PHIPA-x11712'],['1.39'],no,,,,,,,AM-08,CC(N)C,Imid-02,O=C(N1CCN(C(OC(C)(C)C)=O)C(C)C1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,,,,,,,,,,,,X20706,success,,,,
1461,3.5,it3.5_AM-01_Imid-01_CA-01,AM-01-Imid-01-CA-01,COCCNC(=O)N1CCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_01,yes,57%,success,,,['success'],['PHIPA-x11171'],['1.23'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,4140.1,69.1,12.2,14.3,0,2958.2,48.8,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1462,3.5,it3.5_AM-01_Imid-01_CA-02,AM-01-Imid-01-CA-02,COCCNC(=O)N1CCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_02,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,2450.1,434.7,1.8,156.5,0,743.5,1.9,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1463,3.5,it3.5_AM-01_Imid-01_CA-03,AM-01-Imid-01-CA-03,COCCNC(=O)N1CCN(C(=O)c2ccc(C)c(N)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_03,yes,35%,success,,,"['success', 'success', 'success']","['PHIPA-x11172', 'PHIPA-x11530', 'PHIPA-x12278']","['2.09', '1.67', '1.24']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,2473.2,259.4,2,88.4,0,791.8,5.5,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1464,3.5,it3.5_AM-01_Imid-01_CA-04,AM-01-Imid-01-CA-04,COCCNC(=O)N1CCN(C(=O)c2ccnn2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_04,yes,40%,success,,,['success'],['PHIPA-x11173'],['1.19'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,2706.7,144.5,2.3,46.9,0,838.9,5.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1465,3.5,it3.5_AM-01_Imid-01_CA-05,AM-01-Imid-01-CA-05,COCCNC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_05,yes,45%,success,,,['success'],['PHIPA-x11174'],['1.3'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,100,218.1,0,33240174.7,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1466,3.5,it3.5_AM-01_Imid-01_CA-06,AM-01-Imid-01-CA-06,COCCNC(=O)N1CCN(C(=O)c2cn(C)cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_06,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,2483.7,299.6,2.1,99.6,0,836.2,3.9,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1467,3.5,it3.5_AM-01_Imid-01_CA-07,AM-01-Imid-01-CA-07,COCCNC(=O)N1CCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_07,yes,48%,success,,,['success'],['PHIPA-x11175'],['1.1'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,2516.9,686.6,2,380,0,810.2,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1468,3.5,it3.5_AM-01_Imid-01_CA-08,AM-01-Imid-01-CA-08,COCCNC(=O)N1CCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_08,,,N/D,,,['success'],['PHIPA-x11553'],['1.32'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,2487,448.2,2,132,0,810.7,3.2,expored wrong,2-Kd low confidence,,,X20706,N/D,,2-Kd low confidence,,
1469,3.5,it3.5_AM-01_Imid-01_CA-09,AM-01-Imid-01-CA-09,COCCNC(=O)N1CCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_09,yes,77%,success,,,['success'],['PHIPA-x11176'],['1.19'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,6695.6,48,14.4,15,0,2149.8,49.9,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1470,3.5,it3.5_AM-01_Imid-01_CA-10,AM-01-Imid-01-CA-10,COCCNC(=O)N1CCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_10,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,2466.4,113.4,1.9,37.2,0,751,3.6,expored wrong,0-no binding,,,X20706,fail,,0-no binding,,
1471,3.5,it3.5_AM-01_Imid-01_CA-11,AM-01-Imid-01-CA-11,COCCNC(=O)N1CCN(C(=O)c2cccc(C)c2N)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_11,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12304'],['1.31'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,2477.6,496.6,2,168.4,0,810.1,2.7,expored wrong,2-Kd low confidence,,,X20706,to fill,,2-Kd low confidence,,
1472,3.5,it3.5_AM-01_Imid-01_CA-12,AM-01-Imid-01-CA-12,COCCNC(=O)N1CCN(C(=O)Cc2ccccc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_12,yes,39%,success,,,['success'],['PHIPA-x11177'],['1.19'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,2417.6,1280,1.7,392.1,0,715.7,4.8,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1473,3.5,it3.5_AM-01_Imid-01_CA-13,AM-01-Imid-01-CA-13,COCCNC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_13,yes,50%,success,,,['success'],['PHIPA-x11178'],['1.29'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,2495.6,255.8,2,88,0,793.4,4,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1474,3.5,it3.5_AM-01_Imid-01_CA-14,AM-01-Imid-01-CA-14,COCCNC(=O)N1CCN(C(=O)c2cccn2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_14,yes,Overlapping peak,success,Product is the major peak but a small peak overlaps,,['success'],['PHIPA-x11554'],['1.22'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,2464,150.1,1.8,46.1,0,736.1,6.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1475,3.5,it3.5_AM-01_Imid-01_CA-15,AM-01-Imid-01-CA-15,COCCNC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_15,yes,44%,success,,,['success'],['PHIPA-x11179'],['1.44'],yes,['PHIPA-x11179'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound - not merged'],AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,2466.8,754.5,2,323.7,0,803.3,2,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1476,3.5,it3.5_AM-01_Imid-01_CA-16,AM-01-Imid-01-CA-16,COCCNC(=O)N1CCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_16,,,N/D,,,"['success', 'Data processing fail', 'success']","['PHIPA-x11555', 'Fail Mount', 'PHIPA-x12300']","['1.27', '', '1.38']",yes,['PHIPA-x11555'],['under 5S9F'],['product'],['COCCNC(=O)N1CCN(C(=O)c2cccs2)CC1'],['clear'],['good'],AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,2485.9,1976.2,2,967.2,0,818.9,0,expored wrong,2-Kd low confidence,,,X20706,N/D,under 5S9F,2-Kd low confidence,,
1477,3.5,it3.5_AM-01_Imid-01_CA-17,AM-01-Imid-01-CA-17,COCCNC(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_17,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,2463.6,1553.5,2,777.9,0,795.8,0,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1478,3.5,it3.5_AM-01_Imid-01_CA-18,AM-01-Imid-01-CA-18,COCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_18,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,5146.5,62.6,10.8,17.1,0,2104.5,11.7,expored wrong,3-Kd high confidence,,,X20706,fail,,3-Kd high confidence,,
1479,3.5,it3.5_AM-01_Imid-01_CA-19,AM-01-Imid-01-CA-19,COCCNC(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_19,yes,10%,success,Very weak,,['success'],['PHIPA-x11556'],['1.33'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,2464.9,193.9,1.8,61.6,0,748.8,9.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1480,3.5,it3.5_AM-01_Imid-01_CA-20,AM-01-Imid-01-CA-20,COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_20,yes,34%,success,,,"['success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success']","['PHIPA-x11103', 'PHIPA-x11111', 'PHIPA-x11119', 'PHIPA-x11127', 'PHIPA-x11139', 'PHIPA-x11146', 'PHIPA-x11154', 'PHIPA-x11162', 'PHIPA-x11180', 'PHIPA-x11521']","['2.42', '1.21', '1.29', '1.33', '1.24', '1.24', '1.4', '1.29', '1.17', '1.4']",yes,"['PHIPA-x11139', 'PHIPA-x11146', 'PHIPA-x11154', 'PHIPA-x11162', 'PHIPA-x11180', 'PHIPA-x11521']","['under 5S90', 'under 5S90', 'under 5S90', 'under 5S90', 'under 5S90', 'under 5S90']","['product', 'product', 'product', 'product', 'product', 'product']","['COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1']","['clear', 'clear', 'clear', 'clear', 'clear', 'weak']","['clear', 'clear', 'control crude', 'clear', 'clear', 'very weak']",AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,100,73845.3,0,886355138,0,0,17.4,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1481,3.5,it3.5_AM-01_Imid-01_CA-21,AM-01-Imid-01-CA-21,COCCNC(=O)N1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_21,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,5232.7,46.6,7.5,16.4,0,1427.5,19,expored wrong,3-Kd high confidence,,,X20706,fail,,3-Kd high confidence,,
1482,3.5,it3.5_AM-01_Imid-01_CA-22,AM-01-Imid-01-CA-22,COCCNC(=O)N1CCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_22,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,2479.3,847,2,355.5,0,787.3,1.8,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1483,3.5,it3.5_AM-01_Imid-01_CA-23,AM-01-Imid-01-CA-23,COCCNC(=O)N1CCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_23,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,2476.3,1439,2,769.5,0,803.9,0,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1484,3.5,it3.5_AM-01_Imid-01_CA-24,AM-01-Imid-01-CA-24,COCCNC(=O)N1CCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_24,,,N/D,,,['success'],['PHIPA-x11557'],['1.17'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,2482.2,2305.8,2,1383.5,0,807,0,expored wrong,2-Kd low confidence,,,X20706,N/D,,2-Kd low confidence,,
1485,3.5,it3.5_AM-01_Imid-01_CA-25,AM-01-Imid-01-CA-25,COCCNC(=O)N1CCN(C(=O)c2ccc(C)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_25,yes,54%,success,,,['success'],['PHIPA-x11181'],['1.19'],yes,['PHIPA-x11181'],['5S92'],['product'],['COCCNC(=O)N1CCN(C(=O)c2ccc(C)o2)CC1'],['clear'],['clear'],AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,2439.5,952.1,1.9,450.1,0,772.3,2.1,expored wrong,2-Kd low confidence,,,X20706,success,5S92,2-Kd low confidence,,
1486,3.5,it3.5_AM-01_Imid-01_CA-26,AM-01-Imid-01-CA-26,COCCNC(=O)N1CCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_26,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,827.6,89.4,0.2,48.3,0,298.3,18.9,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1487,3.5,it3.5_AM-01_Imid-01_CA-27,AM-01-Imid-01-CA-27,COCCNC(=O)N1CCN(C(=O)c2ccoc2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_27,yes,34%,success,,,['success'],['PHIPA-x11182'],['1.19'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,2469.6,317.9,1.9,97.5,0,789.5,4.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1488,3.5,it3.5_AM-01_Imid-01_CA-28,AM-01-Imid-01-CA-28,COCCNC(=O)N1CCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_28,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,2472.1,186.2,1.9,58,0,780,7.8,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1489,3.5,it3.5_AM-01_Imid-01_CA-29,AM-01-Imid-01-CA-29,COCCNC(=O)N1CCN(C(=O)c2cc(C)c(C)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_29,yes,23%,success,Weak,,['success'],['PHIPA-x11183'],['1.32'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,2411.4,1867,1.9,835.1,0,787.2,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1490,3.5,it3.5_AM-01_Imid-01_CA-30,AM-01-Imid-01-CA-30,COCCNC(=O)N1CCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_30,Unknown - peak m/s not shown,47%,no ms,Not sure if the major peak is product or not,,['success'],['PHIPA-x11184'],['1.21'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,2436.4,1112.6,1.9,580.4,0,767.1,1.9,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1491,3.5,it3.5_AM-01_Imid-01_CA-31,AM-01-Imid-01-CA-31,COCCNC(=O)N1CCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_31,yes,58%,success,,,"['success', 'success', 'success']","['PHIPA-x11185', 'PHIPA-x12287', 'PHIPA-x12295']","['1.19', '1.4', '1.26']",yes,['PHIPA-x11185'],['5S93'],['product'],['COCCNC(=O)N1CCN(C(=O)c2ccc(Cl)o2)CC1'],['weak'],['fairly weak density'],AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,2439.3,1033,1.9,604.6,0,774.7,0,expored wrong,2-Kd low confidence,,,X20706,success,5S93,2-Kd low confidence,,
1492,3.5,it3.5_AM-01_Imid-01_CA-32,AM-01-Imid-01-CA-32,COCCNC(=O)N1CCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_32,,,N/D,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,2496.9,169.5,2.1,55.3,0,847.6,5.7,expored wrong,2-Kd low confidence,,,X20706,N/D,,2-Kd low confidence,,
1493,3.5,it3.5_AM-02_Imid-01_CA-01,AM-02-Imid-01-CA-01,O=C(NCC1CC1)N1CCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_33,yes,54%,success,,,"['success', 'Data processing fail', 'success']","['PHIPA-x11186', 'PHIPA-x11531', 'PHIPA-x12282']","['1.92', '', '1.38']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,2474.9,581.6,2,237.1,0,803.5,2.5,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1494,3.5,it3.5_AM-02_Imid-01_CA-02,AM-02-Imid-01-CA-02,O=C(NCC1CC1)N1CCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_34,yes,48%,success,,,['success'],['PHIPA-x11187'],['1.2'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,2384.6,105.4,1.6,32.8,0,690.7,6.3,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1495,3.5,it3.5_AM-02_Imid-01_CA-03,AM-02-Imid-01-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_35,yes,49%,success,,,['success'],['PHIPA-x11188'],['1.32'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,2441,375.7,1.8,118.7,0,724.3,6.8,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1496,3.5,it3.5_AM-02_Imid-01_CA-04,AM-02-Imid-01-CA-04,Cn1nccc1C(=O)N1CCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_36,yes,64%,success,,,['success'],['PHIPA-x11189'],['1.19'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,2505.2,164.2,1.7,48.3,0,694.6,6.5,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1497,3.5,it3.5_AM-02_Imid-01_CA-05,AM-02-Imid-01-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_37,Unknown - m/s range of major peak too slow,33% (major peak),no ms,Not sure if worked or not,,['success'],['PHIPA-x11559'],['1.1'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,2421.4,322,1.7,97.7,0,717.4,6.3,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1498,3.5,it3.5_AM-02_Imid-01_CA-06,AM-02-Imid-01-CA-06,Cn1cnc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_38,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,2490.4,1007.2,2,351.5,0,812.2,0.8,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1499,3.5,it3.5_AM-02_Imid-01_CA-07,AM-02-Imid-01-CA-07,O=C(NCC1CC1)N1CCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_39,yes,62%,success,,,['success'],['PHIPA-x11190'],['1.3'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,2391.3,582,1.9,204.7,0,775.8,3.4,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1500,3.5,it3.5_AM-02_Imid-01_CA-08,AM-02-Imid-01-CA-08,O=C(NCC1CC1)N1CCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_40,,,N/D,,,['success'],['PHIPA-x11560'],['1.1'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,2467.1,434.6,2,173,0,800.4,4.6,expored wrong,2-Kd low confidence,,,X20706,N/D,,2-Kd low confidence,,
1501,3.5,it3.5_AM-02_Imid-01_CA-09,AM-02-Imid-01-CA-09,O=C(NCC1CC1)N1CCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_41,yes,79%,success,,,"['Data processing fail', 'success']","['PHIPA-x11191', 'PHIPA-x11532']","['', '1.49']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,2466.3,302.7,1.9,108.3,0,778.8,4,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1502,3.5,it3.5_AM-02_Imid-01_CA-10,AM-02-Imid-01-CA-10,O=C(NCC1CC1)N1CCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_42,yes - mass in solvent front,n/a,success,,,['success'],['PHIPA-x11561'],['1.4'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,2450.5,166.6,1.8,51.3,0,744.6,4.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1503,3.5,it3.5_AM-02_Imid-01_CA-11,AM-02-Imid-01-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_43,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12305'],['1.31'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,2661.2,217.8,3.6,62.8,0,1358.7,9,expored wrong,2-Kd low confidence,,,X20706,to fill,,2-Kd low confidence,,
1504,3.5,it3.5_AM-02_Imid-01_CA-12,AM-02-Imid-01-CA-12,O=C(Cc1ccccc1)N1CCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_44,yes,34%,success,,,['success'],['PHIPA-x11192'],['1.17'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,2447.9,319.1,1.7,109.2,0,689.6,5.7,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1505,3.5,it3.5_AM-02_Imid-01_CA-13,AM-02-Imid-01-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_45,yes,60%,success,,,['success'],['PHIPA-x11193'],['1.1'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,2909.6,1422,0,3847538967,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1506,3.5,it3.5_AM-02_Imid-01_CA-14,AM-02-Imid-01-CA-14,Cn1cccc1C(=O)N1CCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_46,yes,8%,success,,,['success'],['PHIPA-x11562'],['1.38'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,2463.8,352.8,2,127.1,0,792.8,3.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1507,3.5,it3.5_AM-02_Imid-01_CA-15,AM-02-Imid-01-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_47,yes,3%,success,,,['success'],['PHIPA-x11563'],['1.15'],yes,['PHIPA-x11563'],['5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound not merged'],AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,3355.5,285.9,0,374.5,0,13.3,2.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1508,3.5,it3.5_AM-02_Imid-01_CA-16,AM-02-Imid-01-CA-16,O=C(NCC1CC1)N1CCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_48,,,N/D,,,"['success', 'success', 'success']","['PHIPA-x11564', 'PHIPA-x12292', 'PHIPA-x12301']","['1.14', '1.37', '1.18']",yes,"['PHIPA-x11564', 'PHIPA-x12301', 'PHIPA-x12301']","['5S9C', 'under 5S9C', 'under 5S9F']","['product', 'product', 'product']","['O=C(NCC1CC1)N1CCN(C(=O)c2cccs2)CC1', 'O=C(NCC1CC1)N1CCN(C(=O)c2cccs2)CC1', 'O=C(NCC1CC1)N1CCN(C(=O)c2cccs2)CC1']","['clear', 'to check', 'ok']","['ok', '', 'initial was better']",AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,2493.3,228.1,2,77.4,0,799.9,5.6,expored wrong,2-Kd low confidence,,,X20706,N/D,5S9C,2-Kd low confidence,,
1509,3.5,it3.5_AM-02_Imid-01_CA-17,AM-02-Imid-01-CA-17,O=C(NCC1CC1)N1CCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_49,yes,39%,success,,,"['success', 'success']","['PHIPA-x11194', 'PHIPA-x11533']","['1.82', '1.12']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,2443.1,303.8,1.9,107.2,0,763.5,4.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1510,3.5,it3.5_AM-02_Imid-01_CA-18,AM-02-Imid-01-CA-18,O=C(NCC1CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_50,yes,42%,success,,,['success'],['PHIPA-x11195'],['1.39'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,3208.6,128.1,0.4,80,0,131.3,2.9,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1511,3.5,it3.5_AM-02_Imid-01_CA-19,AM-02-Imid-01-CA-19,O=C(C#Cc1ccccc1)N1CCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_51,yes,32%,success,,,['success'],['PHIPA-x11196'],['1.52'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,2451.5,368.1,1.8,118.7,0,727.5,9.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1512,3.5,it3.5_AM-02_Imid-01_CA-20,AM-02-Imid-01-CA-20,O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_52,yes,55%,success,,,"['success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'Failed - low resolution', 'success', 'success']","['PHIPA-x11104', 'PHIPA-x11112', 'PHIPA-x11120', 'PHIPA-x11128', 'PHIPA-x11140', 'PHIPA-x11147', 'PHIPA-x11155', 'PHIPA-x11163', 'PHIPA-x11197', 'PHIPA-x11522', 'PHIPA-x11534']","['1.19', '1.42', '1.52', '1.42', '1.9', '1.91', '1.44', '1.53', '5.69', '1.13', '1.14']",yes,"['PHIPA-x11104', 'PHIPA-x11163', 'PHIPA-x11522', 'PHIPA-x11534']","['under 5S8Y', 'under 5S8Y', 'under 5S8Y', 'under 5S8Y']","['product', 'product', 'product', 'product']","['O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1']","['clear', 'clear', 'clear', 'clear']","['clear', 'clear', 'clear', 'clear']",AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,2517.6,270.9,2.3,81.5,0,904.8,7.3,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1513,3.5,it3.5_AM-02_Imid-01_CA-21,AM-02-Imid-01-CA-21,CC(C)(C)OC(=O)NCC(=O)N1CCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_53,yes,28%,success,product ion is weak,,['success'],['PHIPA-x11198'],['1.22'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,2482.3,331.3,2,94.8,0,798.4,4,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1514,3.5,it3.5_AM-02_Imid-01_CA-22,AM-02-Imid-01-CA-22,O=C(NCC1CC1)N1CCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_54,yes,55%,success,,,['success'],['PHIPA-x11199'],['1.22'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,2411.3,321.3,1.8,114.6,0,728.4,7.2,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1515,3.5,it3.5_AM-02_Imid-01_CA-23,AM-02-Imid-01-CA-23,O=C(NCC1CC1)N1CCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_55,yes,65%,success,,,['success'],['PHIPA-x11200'],['1.42'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,2483.3,589.9,2,220.5,0,801.5,2.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1516,3.5,it3.5_AM-02_Imid-01_CA-24,AM-02-Imid-01-CA-24,O=C(NCC1CC1)N1CCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_56,,,N/D,,,['success'],['PHIPA-x11565'],['1.09'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,2419.3,339.9,2.2,106.1,0,902.7,1.3,expored wrong,2-Kd low confidence,,,X20706,N/D,,2-Kd low confidence,,
1517,3.5,it3.5_AM-02_Imid-01_CA-25,AM-02-Imid-01-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_57,yes,49%,success,,,['success'],['PHIPA-x11201'],['1.2'],yes,['PHIPA-x11201'],['5S94'],['product'],['Cc1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)o1'],['clear'],['clear'],AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,2450.5,868.5,1.9,306.4,0,777.3,2.5,expored wrong,2-Kd low confidence,,,X20706,success,5S94,2-Kd low confidence,,
1518,3.5,it3.5_AM-02_Imid-01_CA-26,AM-02-Imid-01-CA-26,O=C(NCC1CC1)N1CCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_58,Too many peaks - no m/s of potential products,Unknown,no ms,,,['success'],['PHIPA-x11566'],['1.25'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,1784.7,42.7,0.1,40.8,0,83.3,14.2,expored wrong,3-Kd high confidence,,,X20706,no ms,,3-Kd high confidence,,
1519,3.5,it3.5_AM-02_Imid-01_CA-27,AM-02-Imid-01-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NCC2CC2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_59,yes,42%,success,,,['success'],['PHIPA-x11202'],['1.14'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,2380.2,877,1.8,364.4,0,766.8,1.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1520,3.5,it3.5_AM-02_Imid-01_CA-28,AM-02-Imid-01-CA-28,O=C(NCC1CC1)N1CCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_60,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,2433.7,330.4,1.9,104.8,0,779,6,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1521,3.5,it3.5_AM-02_Imid-01_CA-29,AM-02-Imid-01-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_61,yes,43%,success,,,['success'],['PHIPA-x11203'],['1.15'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,2415,1794.1,1.9,567.6,0,771.6,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1522,3.5,it3.5_AM-02_Imid-01_CA-30,AM-02-Imid-01-CA-30,O=C(NCC1CC1)N1CCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_62,yes,41%,success,,,['success'],['PHIPA-x11204'],['1.15'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,2771.7,185.6,3.4,55.6,0,1240.2,11.9,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1523,3.5,it3.5_AM-02_Imid-01_CA-31,AM-02-Imid-01-CA-31,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_63,yes,46%,success,,,"['success', 'success', 'success']","['PHIPA-x11205', 'PHIPA-x12288', 'PHIPA-x12296']","['1.21', '1.32', '1.33']",yes,['PHIPA-x11205'],['5S95'],['product'],['O=C(NCC1CC1)N1CCN(C(=O)c2ccc(Cl)o2)CC1'],['weak'],['too weak to merge'],AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,2536.9,115.1,1.8,34.8,0,714.1,4.5,expored wrong,2-Kd low confidence,,,X20706,success,5S95,2-Kd low confidence,,
1524,3.5,it3.5_AM-02_Imid-01_CA-32,AM-02-Imid-01-CA-32,O=C(NCC1CC1)N1CCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_64,,,N/D,,,"['success', 'success']","['PHIPA-x11558', 'PHIPA-x11567']","['1.09', '1.09']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,2319.6,876.1,2,267.8,0,843.5,0,expored wrong,2-Kd low confidence,,,X20706,N/D,,2-Kd low confidence,,
1525,3.5,it3.5_AM-03_Imid-01_CA-01,AM-03-Imid-01-CA-01,O=C(NCc1cccs1)N1CCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_65,yes,3%,success,Potential Na Urea salt as the major product,,"['success', 'success']","['PHIPA-x11568', 'PHIPA-x12279']","['1.66', '1.28']",yes,"['PHIPA-x11568', 'PHIPA-x12279']","['under 5S99', 'under 5S99']","['SM', 'SM']","['O=C(O)c1scc2c1OCCO2', 'OC(c1c(OCCO2)c2cs1)=O']","['ok', 'ok']","['SM bound not merged', 'SM - ok']",AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,2460.5,199.7,1.8,62.1,0,750.5,9.7,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1526,3.5,it3.5_AM-03_Imid-01_CA-02,AM-03-Imid-01-CA-02,O=C(NCc1cccs1)N1CCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_66,yes,54%,success,,,['success'],['PHIPA-x11206'],['1.15'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,2636.2,46.3,1.7,15.3,0,663.3,11,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1527,3.5,it3.5_AM-03_Imid-01_CA-03,AM-03-Imid-01-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_67,yes,48%,success,,,"['success', 'success']","['PHIPA-x11207', 'PHIPA-x11535']","['2.17', '1.37']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,2473,154.2,2,46.8,0,789.4,12.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1528,3.5,it3.5_AM-03_Imid-01_CA-04,AM-03-Imid-01-CA-04,Cn1nccc1C(=O)N1CCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_68,yes,59%,success,,,['success'],['PHIPA-x11208'],['1.13'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,3356.5,116.1,4.6,35,0,1361.5,21.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1529,3.5,it3.5_AM-03_Imid-01_CA-05,AM-03-Imid-01-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_69,Unknown - m/s range of major peak too low,72% (major peak),no ms,Not sure if worked or not,,['success'],['PHIPA-x11569'],['1.09'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,2532.5,160.8,2.8,49.2,0,1124.2,11.1,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1530,3.5,it3.5_AM-03_Imid-01_CA-06,AM-03-Imid-01-CA-06,Cn1cnc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_70,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,2924.8,75.6,6.6,17,0,2260.9,51.1,expored wrong,3-Kd high confidence,,,X20706,fail,,3-Kd high confidence,,
1531,3.5,it3.5_AM-03_Imid-01_CA-07,AM-03-Imid-01-CA-07,O=C(NCc1cccs1)N1CCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_71,yes,64%,success,,,"['success', 'success']","['PHIPA-x11209', 'PHIPA-x11536']","['2.28', '1.24']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,100,4483.8,0,95989253.8,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1532,3.5,it3.5_AM-03_Imid-01_CA-08,AM-03-Imid-01-CA-08,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_72,,,N/D,,,['success'],['PHIPA-x11570'],['1.14'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,2482.5,1237.2,2,501.5,0,811.8,1.3,expored wrong,2-Kd low confidence,,,X20706,N/D,,2-Kd low confidence,,
1533,3.5,it3.5_AM-03_Imid-01_CA-09,AM-03-Imid-01-CA-09,O=C(NCc1cccs1)N1CCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_73,Did not ionise,79%,no ms,,,['success'],['PHIPA-x11210'],['1.17'],yes,['PHIPA-x11210'],['5S96'],['SM'],['O=C(O)c1ccccc1O'],['ok'],['SM bound'],AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,2461.8,188.1,1.9,64,0,773.4,7.6,expored wrong,2-Kd low confidence,,,X20706,no ms,5S96,2-Kd low confidence,,
1534,3.5,it3.5_AM-03_Imid-01_CA-10,AM-03-Imid-01-CA-10,O=C(NCc1cccs1)N1CCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_74,yes - mass in solvent front,n/a,success,,,"['success', 'success']","['PHIPA-x11571', 'PHIPA-x12280']","['1.65', '1.82']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,4336.4,37.3,4.2,14.2,0,965.3,16.8,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1535,3.5,it3.5_AM-03_Imid-01_CA-11,AM-03-Imid-01-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_75,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12306'],['1.28'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,4730.3,59.9,7.3,18.3,0,1535.6,60,expored wrong,3-Kd high confidence,,,X20706,to fill,,3-Kd high confidence,,
1536,3.5,it3.5_AM-03_Imid-01_CA-12,AM-03-Imid-01-CA-12,O=C(Cc1ccccc1)N1CCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_76,yes,48%,success,,,"['success', 'success']","['PHIPA-x11211', 'PHIPA-x11537']","['1.69', '1.13']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,3759,51.9,10.4,10.6,0,2762.5,83.5,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1537,3.5,it3.5_AM-03_Imid-01_CA-13,AM-03-Imid-01-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_77,yes,75%,success,,,['success'],['PHIPA-x11212'],['1.17'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,2896.1,100.5,3.3,31.6,0,1152.3,22.4,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1538,3.5,it3.5_AM-03_Imid-01_CA-14,AM-03-Imid-01-CA-14,Cn1cccc1C(=O)N1CCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_78,yes,63%,success,,,['success'],['PHIPA-x11213'],['1.22'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,1585.3,126.7,6,16.4,0,3770.7,79.3,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1539,3.5,it3.5_AM-03_Imid-01_CA-15,AM-03-Imid-01-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_79,yes,45%,success,,,['success'],['PHIPA-x11214'],['1.47'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,4751.9,83.9,4.4,33.4,0,929.4,37.8,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1540,3.5,it3.5_AM-03_Imid-01_CA-16,AM-03-Imid-01-CA-16,O=C(NCc1cccs1)N1CCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_80,,,N/D,,,"['Data processing fail', 'success']","['PHIPA-x11572', 'PHIPA-x12283']","['', '1.31']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,5179.9,36.7,13.3,9.5,0,2559.3,56.9,expored wrong,3-Kd high confidence,,,X20706,N/D,,3-Kd high confidence,,
1541,3.5,it3.5_AM-03_Imid-01_CA-17,AM-03-Imid-01-CA-17,O=C(NCc1cccs1)N1CCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_81,Unclear M/s but one major peak,65%,no ms,,,['success'],['PHIPA-x11215'],['1.44'],yes,['PHIPA-x11215'],['under 5S98'],['SM'],['O=C(O)c1cncc(Br)c1'],['ok'],['SM bound weak - not merged'],AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,2433.3,457.8,1.9,177.8,0,785.6,3.7,expored wrong,2-Kd low confidence,,,X20706,no ms,under 5S98,2-Kd low confidence,,
1542,3.5,it3.5_AM-03_Imid-01_CA-18,AM-03-Imid-01-CA-18,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_82,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,3341.9,50.4,0.5,37.5,0,153.2,11.2,expored wrong,3-Kd high confidence,,,X20706,fail,,3-Kd high confidence,,
1543,3.5,it3.5_AM-03_Imid-01_CA-19,AM-03-Imid-01-CA-19,O=C(C#Cc1ccccc1)N1CCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_83,yes,73%,success,,,['success'],['PHIPA-x11216'],['1.46'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,2476.7,162.4,2,51,0,808.2,8.3,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1544,3.5,it3.5_AM-03_Imid-01_CA-20,AM-03-Imid-01-CA-20,O=C(NCc1cccs1)N1CCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_84,yes,24%,success,,,"['success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success']","['PHIPA-x11105', 'PHIPA-x11113', 'PHIPA-x11121', 'PHIPA-x11129', 'PHIPA-x11141', 'PHIPA-x11148', 'PHIPA-x11156', 'PHIPA-x11164', 'PHIPA-x11217', 'PHIPA-x11523']","['1.29', '1.51', '1.47', '1.27', '1.28', '1.79', '1.25', '1.09', '1.18', '1.12']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,4779.3,56.4,10.1,14.6,0,2122.2,78.2,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1545,3.5,it3.5_AM-03_Imid-01_CA-21,AM-03-Imid-01-CA-21,CC(C)(C)OC(=O)NCC(=O)N1CCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_85,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,2440.4,398.6,1.8,127.1,0,731.4,12.9,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1546,3.5,it3.5_AM-03_Imid-01_CA-22,AM-03-Imid-01-CA-22,O=C(NCc1cccs1)N1CCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_86,yes,22%,success,,,['success'],['PHIPA-x11218'],['1.21'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,2515.6,2613,2.2,944.7,0,857.7,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1547,3.5,it3.5_AM-03_Imid-01_CA-23,AM-03-Imid-01-CA-23,O=C(NCc1cccs1)N1CCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_87,yes,26%,success,,,"['success', 'success']","['PHIPA-x11219', 'PHIPA-x11538']","['1.82', '1.09']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,4344.3,64.5,7.6,17.6,0,1757.4,39.6,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1548,3.5,it3.5_AM-03_Imid-01_CA-24,AM-03-Imid-01-CA-24,O=C(NCc1cccs1)N1CCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_88,,,N/D,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11573', 'PHIPA-x12284']","['', '']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,2482.1,225.4,2,75.2,0,819.3,8,expored wrong,2-Kd low confidence,,,X20706,N/D,,2-Kd low confidence,,
1549,3.5,it3.5_AM-03_Imid-01_CA-25,AM-03-Imid-01-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_89,yes,39%,success,,has plate 3 row in in a mixture,['success'],['PHIPA-x11220'],['1.52'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,2463.9,602.7,1.9,210.3,0,771.8,3.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1550,3.5,it3.5_AM-03_Imid-01_CA-26,AM-03-Imid-01-CA-26,O=C(NCc1cccs1)N1CCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_90,yes,18%,success,,has plate 3 row in in a mixture,['success'],['PHIPA-x11221'],['1.3'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,2481.2,112.6,2,35.6,0,811.6,7,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1551,3.5,it3.5_AM-03_Imid-01_CA-27,AM-03-Imid-01-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NCc2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_91,yes,36%,success,,has plate 3 row in in a mixture,['success'],['PHIPA-x11222'],['1.18'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,2473.4,259,2,78.2,0,801.8,4.2,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1552,3.5,it3.5_AM-03_Imid-01_CA-28,AM-03-Imid-01-CA-28,O=C(NCc1cccs1)N1CCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_92,no,0%,fail,,has plate 3 row in in a mixture,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,2482.8,222,1.7,70.9,0,678.1,7.6,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1553,3.5,it3.5_AM-03_Imid-01_CA-29,AM-03-Imid-01-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_93,yes,47%,success,,has plate 3 row in in a mixture,['success'],['PHIPA-x11223'],['1.52'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,5666.5,62.8,4.7,28,0,826.2,10.2,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1554,3.5,it3.5_AM-03_Imid-01_CA-30,AM-03-Imid-01-CA-30,O=C(NCc1cccs1)N1CCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_94,yes,45%,success,,has plate 3 row in in a mixture,['success'],['PHIPA-x11224'],['1.21'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,100,15296.2,0,362519553.9,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1555,3.5,it3.5_AM-03_Imid-01_CA-31,AM-03-Imid-01-CA-31,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_95,yes,61%,success,,has plate 3 row in in a mixture,['success'],['PHIPA-x11225'],['1.33'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,2486.8,350.4,1.9,108,0,746,3.4,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1556,3.5,it3.5_AM-03_Imid-01_CA-32,AM-03-Imid-01-CA-32,O=C(NCc1cccs1)N1CCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_96,,,N/D,,has plate 3 row in in a mixture,['success'],['PHIPA-x11574'],['1.27'],no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,2495.1,1261.8,2.1,348.9,0,833.3,2.2,expored wrong,2-Kd low confidence,,,X20706,N/D,,2-Kd low confidence,,
1557,3.5,it3.5_AM-04_Imid-01_CA-01,AM-04-Imid-01-CA-01,O=C(NCC(F)(F)F)N1CCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_97,yes,49%,success,,,['success'],['PHIPA-x11226'],['1.15'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,2445.2,357.2,1.9,132.1,0,761.4,4.8,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1558,3.5,it3.5_AM-04_Imid-01_CA-02,AM-04-Imid-01-CA-02,O=C(NCC(F)(F)F)N1CCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_98,yes,46%,success,,,['success'],['PHIPA-x11227'],['1.47'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,2473.7,196,1.9,63.4,0,769.4,8.5,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1559,3.5,it3.5_AM-04_Imid-01_CA-03,AM-04-Imid-01-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_99,yes,53%,success,,,['success'],['PHIPA-x11228'],['1.25'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,2535.2,249.8,2.1,82.8,0,837.8,13,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1560,3.5,it3.5_AM-04_Imid-01_CA-04,AM-04-Imid-01-CA-04,Cn1nccc1C(=O)N1CCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_100,yes,46%,success,,,['success'],['PHIPA-x11229'],['1.22'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,4270.7,55.2,10,13,0,2342.9,89.1,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1561,3.5,it3.5_AM-04_Imid-01_CA-05,AM-04-Imid-01-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_101,yes,14%,success,,,"['success', 'success']","['PHIPA-x11230', 'PHIPA-x11539']","['1.68', '1.09']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,2499.6,431.9,1.9,154.2,0,741.7,9.9,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1562,3.5,it3.5_AM-04_Imid-01_CA-06,AM-04-Imid-01-CA-06,Cn1cnc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_102,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,100,39249.1,0,978471380.9,0,0,0,expored wrong,0-no binding,,,X20706,fail,,0-no binding,,
1563,3.5,it3.5_AM-04_Imid-01_CA-07,AM-04-Imid-01-CA-07,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_103,yes,52%,success,,,['success'],['PHIPA-x11231'],['1.15'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,2483.7,1352.6,2,668.1,0,792.8,1.7,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1564,3.5,it3.5_AM-04_Imid-01_CA-08,AM-04-Imid-01-CA-08,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_104,yes,60%,success,,,"['success', 'success']","['PHIPA-x11232', 'PHIPA-x11540']","['1.95', '1.15']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,100,1952.4,0,69528647.3,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1565,3.5,it3.5_AM-04_Imid-01_CA-09,AM-04-Imid-01-CA-09,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_105,yes,87%,success,,,['success'],['PHIPA-x11233'],['1.53'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,2416.7,275.7,1.8,94.6,0,744.4,8.5,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1566,3.5,it3.5_AM-04_Imid-01_CA-10,AM-04-Imid-01-CA-10,O=C(NCC(F)(F)F)N1CCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_106,yes in solvent front,n/a,success,,,['success'],['PHIPA-x11575'],['1.25'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,2377.4,2126.1,1.7,626.3,0,731.2,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1567,3.5,it3.5_AM-04_Imid-01_CA-11,AM-04-Imid-01-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_107,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12307'],['1.38'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,2481.9,157.5,1.8,47.6,0,731.1,10,expored wrong,2-Kd low confidence,,,X20706,to fill,,2-Kd low confidence,,
1568,3.5,it3.5_AM-04_Imid-01_CA-12,AM-04-Imid-01-CA-12,O=C(Cc1ccccc1)N1CCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_108,yes,25%,success,,,"['success', 'success']","['PHIPA-x11234', 'PHIPA-x11541']","['1.92', '1.12']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,2484,234.3,1.9,78.5,0,754.7,8.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1569,3.5,it3.5_AM-04_Imid-01_CA-13,AM-04-Imid-01-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_109,yes,34%,success,,,['success'],['PHIPA-x11235'],['1.3'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,2471,1811,2.2,616,0,878,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1570,3.5,it3.5_AM-04_Imid-01_CA-14,AM-04-Imid-01-CA-14,Cn1cccc1C(=O)N1CCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_110,yes,48%,success,,,"['success', 'success']","['PHIPA-x11236', 'PHIPA-x11542']","['1.66', '1.19']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,2483.8,1344.7,2.1,563.4,0,833.4,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1571,3.5,it3.5_AM-04_Imid-01_CA-15,AM-04-Imid-01-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_111,yes,37%,success,,,['success'],['PHIPA-x11237'],['1.15'],yes,['PHIPA-x11237'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound'],AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,100,6599.1,0,173786678,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1572,3.5,it3.5_AM-04_Imid-01_CA-16,AM-04-Imid-01-CA-16,O=C(NCC(F)(F)F)N1CCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_112,yes,40%,success,,,['success'],['PHIPA-x11238'],['1.43'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,2539.3,293.3,2.7,98.9,0,1053.6,7.5,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1573,3.5,it3.5_AM-04_Imid-01_CA-17,AM-04-Imid-01-CA-17,O=C(NCC(F)(F)F)N1CCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_113,yes,37%,success,,,['success'],['PHIPA-x11239'],['1.53'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,2454.4,536.6,1.9,180.1,0,788.4,3.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1574,3.5,it3.5_AM-04_Imid-01_CA-18,AM-04-Imid-01-CA-18,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_114,yes,53%,success,,,['success'],['PHIPA-x11240'],['1.16'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,4549.7,110.9,9.1,30.1,0,1991.2,47.3,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1575,3.5,it3.5_AM-04_Imid-01_CA-19,AM-04-Imid-01-CA-19,O=C(C#Cc1ccccc1)N1CCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_115,yes,32%,success,,,"['success', 'success']","['PHIPA-x11241', 'PHIPA-x11543']","['1.93', '1.2']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,2480.6,301,2,93.2,0,801.9,6.5,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1576,3.5,it3.5_AM-04_Imid-01_CA-20,AM-04-Imid-01-CA-20,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_116,yes,47%*,success,*overlapping peaks,,"['success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success']","['PHIPA-x11106', 'PHIPA-x11114', 'PHIPA-x11122', 'PHIPA-x11130', 'PHIPA-x11142', 'PHIPA-x11149', 'PHIPA-x11157', 'PHIPA-x11165', 'PHIPA-x11524', 'PHIPA-x11576', 'PHIPA-x12246', 'PHIPA-x12248']","['1.25', '1.32', '1.19', '1.40', '1.31', '1.28', '1.38', '1.96', '1.13', '1.09', '1.61', '1.22']",yes,"['PHIPA-x11106', 'PHIPA-x11157', 'PHIPA-x11524', 'PHIPA-x11576']","['under 5S91', 'under 5S91', 'under 5S91', 'under 5S91']","['product', 'product', 'product', 'product']","['O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1']","['ok', 'ok', 'ok', '-']","['not as clear', 'weak', 'ok', 'too soak again to check the error']",AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,2611.2,260.7,2.6,84.2,0,983.5,16.7,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1577,3.5,it3.5_AM-04_Imid-01_CA-21,AM-04-Imid-01-CA-21,CC(C)(C)OC(=O)NCC(=O)N1CCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_117,yes (-Boc),17%,success,Boc group fell off in LCMS (note - no chromaphore),,['success'],['PHIPA-x11242'],['1.21'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,2465.8,1122.2,1.9,284.6,0,787.4,3.8,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1578,3.5,it3.5_AM-04_Imid-01_CA-22,AM-04-Imid-01-CA-22,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_118,yes,58%,success,,,"['success', 'success']","['PHIPA-x11243', 'PHIPA-x11544']","['2.38', '1.21']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,100,46402.1,0,1209918090,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1579,3.5,it3.5_AM-04_Imid-01_CA-23,AM-04-Imid-01-CA-23,O=C(NCC(F)(F)F)N1CCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_119,yes,61%,success,,,"['Data processing fail', 'success']","['PHIPA-x11244', 'PHIPA-x11545']","['', '1.42']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,1652.7,836.9,0,561555338.6,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1580,3.5,it3.5_AM-04_Imid-01_CA-24,AM-04-Imid-01-CA-24,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_120,yes,14%,success,Weak LCMS,,['success'],['PHIPA-x11245'],['1.09'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,2481.5,2069.1,2,1185.9,0,788.2,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1581,3.5,it3.5_AM-04_Imid-01_CA-25,AM-04-Imid-01-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_121,yes,47%,success,,,['success'],['PHIPA-x11246'],['1.15'],yes,['PHIPA-x11246'],['5S97'],['product'],['Cc1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)o1'],['clear'],['clear'],AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,2456.8,293.5,1.9,104,0,785.2,4.1,expored wrong,2-Kd low confidence,,,X20706,success,5S97,2-Kd low confidence,,
1582,3.5,it3.5_AM-04_Imid-01_CA-26,AM-04-Imid-01-CA-26,O=C(NCC(F)(F)F)N1CCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_122,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,1821.3,72.6,0.1,99.6,0,31.1,20,expored wrong,3-Kd high confidence,,,X20706,fail,,3-Kd high confidence,,
1583,3.5,it3.5_AM-04_Imid-01_CA-27,AM-04-Imid-01-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NCC(F)(F)F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_123,yes,45%,success,,,['success'],['PHIPA-x11247'],['1.36'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,2465.9,289,1.9,85.3,0,762.7,6.7,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1584,3.5,it3.5_AM-04_Imid-01_CA-28,AM-04-Imid-01-CA-28,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_124,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,4031.9,52.8,13,10.7,0,3219.9,60.7,expored wrong,3-Kd high confidence,,,X20706,fail,,3-Kd high confidence,,
1585,3.5,it3.5_AM-04_Imid-01_CA-29,AM-04-Imid-01-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_125,yes,37%,success,,,['success'],['PHIPA-x11248'],['1.14'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,2462.2,219.9,1.8,69,0,723,9.5,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1586,3.5,it3.5_AM-04_Imid-01_CA-30,AM-04-Imid-01-CA-30,O=C(NCC(F)(F)F)N1CCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_126,yes,46%,success,,,['success'],['PHIPA-x11249'],['1.29'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,2470.3,245.1,2,82.6,0,796.1,7.9,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1587,3.5,it3.5_AM-04_Imid-01_CA-31,AM-04-Imid-01-CA-31,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_127,yes,46%,success,,,"['success', 'success', 'success', 'success', 'success', 'success']","['PHIPA-x11250', 'PHIPA-x11546', 'PHIPA-x12289', 'PHIPA-x12291', 'PHIPA-x12297', 'PHIPA-x12299']","['2.1', '1.36', '1.15', '1.17', '1.48', '1.42']",yes,"['PHIPA-x11250', 'PHIPA-x11546', 'PHIPA-x12291']","['under 5S9A', '5S9A', 'under 5S9A']","['product', 'product', 'product']","['O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(Cl)o2)CC1', 'O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(Cl)o2)CC1', 'O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(Cl)o2)CC1']","['weak', 'clear', 'weak']","['very weak to resoak', 'ok reasonably clear', 'pretty much same / 11546 looked even better']",AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,100,1307.1,0,51897445.6,0,0,0,expored wrong,0-no binding,,,X20706,success,under 5S9A,0-no binding,,
1588,3.5,it3.5_AM-04_Imid-01_CA-32,AM-04-Imid-01-CA-32,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_128,yes,56%,success,,,['success'],['PHIPA-x11251'],['1.47'],no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,2479.1,862.9,2,401.5,0,796.3,2.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1589,3.5,it3.5_AM-05_Imid-01_CA-01,AM-05-Imid-01-CA-01,O=C(NCc1cccnc1)N1CCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_129,yes - mass in solvent front,n/a,success,,,['success'],['PHIPA-x11577'],['1.27'],yes,['PHIPA-x11577'],['under 5S91'],['product'],['O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1'],['clear'],['not the right product - most likely the trifluoro control - from PHIPA-x11577'],AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,2509.2,78,1.8,26,0,732.1,5.6,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1590,3.5,it3.5_AM-05_Imid-01_CA-02,AM-05-Imid-01-CA-02,O=C(NCc1cccnc1)N1CCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_130,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,2459,227.1,2,78.3,0,804.9,1.8,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1591,3.5,it3.5_AM-05_Imid-01_CA-03,AM-05-Imid-01-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_131,yes,trace,success,very weak sample- trace product,,['success'],['PHIPA-x11578'],['1.18'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,2785.1,113.6,3,35.9,0,1077.9,8.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1592,3.5,it3.5_AM-05_Imid-01_CA-04,AM-05-Imid-01-CA-04,Cn1nccc1C(=O)N1CCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_132,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,2602.5,65.1,2,20.4,0,764.8,6.2,expored wrong,3-Kd high confidence,,,X20706,fail,,3-Kd high confidence,,
1593,3.5,it3.5_AM-05_Imid-01_CA-05,AM-05-Imid-01-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_133,yes,30%,success,,,['success'],['PHIPA-x11252'],['1.27'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,2480.7,1078.2,2,301.2,0,800.3,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1594,3.5,it3.5_AM-05_Imid-01_CA-06,AM-05-Imid-01-CA-06,Cn1cnc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_134,yes,63%*,success,*Still in solvent front,,['success'],['PHIPA-x11579'],['1.12'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,1799.8,2047,1.2,607.1,0,673,4,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1595,3.5,it3.5_AM-05_Imid-01_CA-07,AM-05-Imid-01-CA-07,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_135,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,2129.6,697.3,1.9,200.1,0,894.6,0,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1596,3.5,it3.5_AM-05_Imid-01_CA-08,AM-05-Imid-01-CA-08,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_136,yes,trace,success,*mass in the solvent front,,['success'],['PHIPA-x11580'],['1.09'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,2487.3,825.8,2,299.5,0,804.3,1.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1597,3.5,it3.5_AM-05_Imid-01_CA-09,AM-05-Imid-01-CA-09,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_137,Did not ionise,81% (major peak),no ms,,,['success'],['PHIPA-x11581'],['1.09'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,2459.3,296.3,1.9,108.4,0,788,5.4,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1598,3.5,it3.5_AM-05_Imid-01_CA-10,AM-05-Imid-01-CA-10,O=C(NCc1cccnc1)N1CCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_138,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,100,57596.6,0,848700062,0,0,16,expored wrong,0-no binding,,,X20706,fail,,0-no binding,,
1599,3.5,it3.5_AM-05_Imid-01_CA-11,AM-05-Imid-01-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_139,to fill,to fill,to fill,to fill,to fill,"['success', 'success']","['PHIPA-x11582', 'PHIPA-x12308']","['1.14', '1.16']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,2420.6,345.8,1.6,114.9,0,672.7,10.2,expored wrong,2-Kd low confidence,,,X20706,to fill,,2-Kd low confidence,,
1600,3.5,it3.5_AM-05_Imid-01_CA-12,AM-05-Imid-01-CA-12,O=C(Cc1ccccc1)N1CCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_140,yes,77%,success,,,['success'],['PHIPA-x11253'],['1.37'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,2534,272.8,2,78,0,772.2,8.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1601,3.5,it3.5_AM-05_Imid-01_CA-13,AM-05-Imid-01-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_141,Unknown - m/s range of major peak too low,61% (Major peak),no ms,,,['success'],['PHIPA-x11583'],['1.38'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,2495.8,516,1.9,195.9,0,771.3,4,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1602,3.5,it3.5_AM-05_Imid-01_CA-14,AM-05-Imid-01-CA-14,Cn1cccc1C(=O)N1CCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_142,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,2438.7,656.4,1.9,276.3,0,779.8,4.3,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1603,3.5,it3.5_AM-05_Imid-01_CA-15,AM-05-Imid-01-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_143,yes - mass in solvent front,Trace,success,,,['success'],['PHIPA-x11584'],['1.21'],yes,['PHIPA-x11584'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM clear not merged'],AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,2482.7,1370.3,2,741.9,0,807.5,0.7,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1604,3.5,it3.5_AM-05_Imid-01_CA-16,AM-05-Imid-01-CA-16,O=C(NCc1cccnc1)N1CCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_144,yes,trace,success,*mass in the solvent front,,"['success', 'success', 'success']","['PHIPA-x11585', 'PHIPA-x12293', 'PHIPA-x12302']","['1.19', '1.25', '1.29']",yes,['PHIPA-x11585'],['5S9D'],['product'],['O=C(NCc1cccnc1)N1CCN(C(=O)c2cccs2)CC1'],['incomplete'],['weak pyridine density missing'],AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,100,183.8,0,7881067.6,0,0,3653.2,expored wrong,0-no binding,,,X20706,success,5S9D,0-no binding,,
1605,3.5,it3.5_AM-05_Imid-01_CA-17,AM-05-Imid-01-CA-17,O=C(NCc1cccnc1)N1CCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_145,yes - mass in solvent front,n/a,success,,,['success'],['PHIPA-x11586'],['1.51'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,2442.9,413.9,1.9,160,0,786.9,4.7,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1606,3.5,it3.5_AM-05_Imid-01_CA-18,AM-05-Imid-01-CA-18,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_146,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,2437.6,641.9,1.8,210.3,0,733.6,14,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1607,3.5,it3.5_AM-05_Imid-01_CA-19,AM-05-Imid-01-CA-19,O=C(C#Cc1ccccc1)N1CCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_147,yes,59%,success,,,"['success', 'success']","['PHIPA-x11254', 'PHIPA-x11547']","['1.8', '1.26']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,2459,500.7,1.8,165.5,0,736.2,23.9,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1608,3.5,it3.5_AM-05_Imid-01_CA-20,AM-05-Imid-01-CA-20,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_148,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,2486.9,310.2,1.8,102,0,723.2,11.9,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1609,3.5,it3.5_AM-05_Imid-01_CA-21,AM-05-Imid-01-CA-21,CC(C)(C)OC(=O)NCC(=O)N1CCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_149,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,1677.6,54.7,1.5,12.1,0,867.2,0,expored wrong,3-Kd high confidence,,,X20706,fail,,3-Kd high confidence,,
1610,3.5,it3.5_AM-05_Imid-01_CA-22,AM-05-Imid-01-CA-22,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_150,yes,trace,success,*mass in the solvent front,,['success'],['PHIPA-x11587'],['1.15'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,100,751.7,0,30030695.3,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1611,3.5,it3.5_AM-05_Imid-01_CA-23,AM-05-Imid-01-CA-23,O=C(NCc1cccnc1)N1CCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_151,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,100,84204.3,0,2682221042,0,0,0,expored wrong,0-no binding,,,X20706,fail,,0-no binding,,
1612,3.5,it3.5_AM-05_Imid-01_CA-24,AM-05-Imid-01-CA-24,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_152,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,2460,891.3,1.9,371.6,0,788.1,2.3,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1613,3.5,it3.5_AM-05_Imid-01_CA-25,AM-05-Imid-01-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_153,yes - mass in solvent front,n/a,success,,,"['success', 'success', 'success']","['PHIPA-x11588', 'PHIPA-x12294', 'PHIPA-x12303']","['1.18', '1.09', '1.53']",yes,"['PHIPA-x11588', 'PHIPA-x12294']","['5S9E', 'under 5S9E']","['product', 'product']","['Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)o1', 'Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)o1']","['incomplete', 'incomplete']","['not 100% sure - pyridine density weak', 'same as 11588 pyridine missing - check qc - first step?']",AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,2484.5,260.6,1.9,81.2,0,775,4.6,expored wrong,2-Kd low confidence,,,X20706,success,5S9E,2-Kd low confidence,,
1614,3.5,it3.5_AM-05_Imid-01_CA-26,AM-05-Imid-01-CA-26,O=C(NCc1cccnc1)N1CCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_154,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,2459,158.1,1.7,49.9,0,707.9,10.5,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1615,3.5,it3.5_AM-05_Imid-01_CA-27,AM-05-Imid-01-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NCc2cccnc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_155,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,2500.1,317.7,2,100.6,0,816.5,5.7,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1616,3.5,it3.5_AM-05_Imid-01_CA-28,AM-05-Imid-01-CA-28,O=C(NCc1cccnc1)N1CCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_156,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,2474.3,269.1,2,83.1,0,791.6,8.4,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1617,3.5,it3.5_AM-05_Imid-01_CA-29,AM-05-Imid-01-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_157,yes,71%,success,,,['success'],['PHIPA-x11255'],['1.24'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,2542.2,633.6,2.1,223.9,0,845.5,1.7,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1618,3.5,it3.5_AM-05_Imid-01_CA-30,AM-05-Imid-01-CA-30,O=C(NCc1cccnc1)N1CCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_158,yes,trace,success,*mass in the solvent front,,['success'],['PHIPA-x11589'],['1.26'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,2433.7,408,1.9,119.3,0,768.3,12.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1619,3.5,it3.5_AM-05_Imid-01_CA-31,AM-05-Imid-01-CA-31,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_159,yes,trace,success,*mass in the solvent front,,['success'],['PHIPA-x11590'],['1.19'],no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,586.1,12963.8,0,1692287468,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1620,3.5,it3.5_AM-05_Imid-01_CA-32,AM-05-Imid-01-CA-32,O=C(NCc1cccnc1)N1CCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_160,yes,trace,success,*mass in the solvent front,,"['success', 'success']","['PHIPA-x11591', 'PHIPA-x12275']","['2.83', '1.23']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,2483.3,1750.1,2,598.9,0,806.1,1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1621,3.5,it3.5_AM-06_Imid-01_CA-01,AM-06-Imid-01-CA-01,COc1ccc(NC(=O)N2CCN(C(=O)c3scc4c3OCCO4)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_161,Unclear M/s but one major peak,37% (major peak),no ms,m/s mass range too small to see product,,['success'],['PHIPA-x11592'],['1.16'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,2477.4,114.2,1.9,40.3,0,755.2,10.4,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1622,3.5,it3.5_AM-06_Imid-01_CA-02,AM-06-Imid-01-CA-02,COc1ccc(NC(=O)N2CCN(C(=O)c3cocn3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_162,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,2472,139.1,1.9,44.3,0,756.9,10.1,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1623,3.5,it3.5_AM-06_Imid-01_CA-03,AM-06-Imid-01-CA-03,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)c(N)c3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_163,yes,40%,success,,,['success'],['PHIPA-x11256'],['1.13'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,2528.4,135.4,1.7,42.7,0,688.3,10,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1624,3.5,it3.5_AM-06_Imid-01_CA-04,AM-06-Imid-01-CA-04,COc1ccc(NC(=O)N2CCN(C(=O)c3ccnn3C)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_164,yes,46%,success,,,['success'],['PHIPA-x11257'],['1.15'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,2524.2,205.7,2.1,68.5,0,837,14.8,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1625,3.5,it3.5_AM-06_Imid-01_CA-05,AM-06-Imid-01-CA-05,COc1ccc(NC(=O)N2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_165,Unknown - m/s range of major peak too low,64% (major peak),no ms,,,"['success', 'Data processing fail']","['PHIPA-x11593', 'PHIPA-x12277']","['1.68', '']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,2484,760.5,2.1,259.1,0,863.1,3.5,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1626,3.5,it3.5_AM-06_Imid-01_CA-06,AM-06-Imid-01-CA-06,COc1ccc(NC(=O)N2CCN(C(=O)c3cn(C)cn3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_166,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,2526.4,142.8,2.1,46.7,0,831.3,12.7,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1627,3.5,it3.5_AM-06_Imid-01_CA-07,AM-06-Imid-01-CA-07,COc1ccc(NC(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_167,Unknown - m/s range of major peak too low,16% (major peak),no ms,,,['success'],['PHIPA-x11594'],['1.1'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,2461.7,2111.4,1.9,1088.1,0,787,0,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1628,3.5,it3.5_AM-06_Imid-01_CA-08,AM-06-Imid-01-CA-08,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_168,Unknown - m/s range of major peak too low,42% (major peak),no ms,,,['success'],['PHIPA-x11595'],['1.15'],yes,['PHIPA-x11595'],['under 5S9G'],['SM'],['O=C(O)c1ccc2ncsc2c1'],['ok'],['SM bound not merged'],AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,2481.9,490.7,2,199.7,0,821.2,6.6,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1629,3.5,it3.5_AM-06_Imid-01_CA-09,AM-06-Imid-01-CA-09,COc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_169,Unknown - ionisation of sample poor (one mjaor peak),61%,no ms,Poor ionisation of peaks,,['success'],['PHIPA-x11258'],['1.44'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,2477.5,150.6,1.9,51.1,0,776.7,9.2,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1630,3.5,it3.5_AM-06_Imid-01_CA-10,AM-06-Imid-01-CA-10,COc1ccc(NC(=O)N2CCN(C(=O)c3c[nH]cn3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_170,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,2457.4,354.7,1.8,115.4,0,740.8,17.1,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1631,3.5,it3.5_AM-06_Imid-01_CA-11,AM-06-Imid-01-CA-11,COc1ccc(NC(=O)N2CCN(C(=O)c3cccc(C)c3N)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_171,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12309'],['1.09'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,2458.6,355.5,1.8,116.2,0,728.4,15.6,expored wrong,2-Kd low confidence,,,X20706,to fill,,2-Kd low confidence,,
1632,3.5,it3.5_AM-06_Imid-01_CA-12,AM-06-Imid-01-CA-12,COc1ccc(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_172,yes,45%,success,,,['success'],['PHIPA-x11259'],['1.41'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,2478.2,259.6,2,79.6,0,805.3,13.2,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1633,3.5,it3.5_AM-06_Imid-01_CA-13,AM-06-Imid-01-CA-13,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_173,yes,61%,success,,,['success'],['PHIPA-x11260'],['1.16'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,2472.5,215.3,1.8,77,0,741.8,10.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1634,3.5,it3.5_AM-06_Imid-01_CA-14,AM-06-Imid-01-CA-14,COc1ccc(NC(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_174,yes,trace,success,*mass in the solvent front,,['success'],['PHIPA-x11596'],['1.12'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,2443.2,274.4,1.9,100.4,0,791.1,10.2,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1635,3.5,it3.5_AM-06_Imid-01_CA-15,AM-06-Imid-01-CA-15,COc1ccc(NC(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_175,yes,56%,success,,,['success'],['PHIPA-x11261'],['1.5'],yes,['PHIPA-x11261'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound - not merged'],AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,2483.4,512.5,2,182.9,0,809.7,2.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1636,3.5,it3.5_AM-06_Imid-01_CA-16,AM-06-Imid-01-CA-16,COc1ccc(NC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_176,,,N/D,,,['success'],['PHIPA-x11597'],['1.53'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,2478.3,458.6,2,185,0,802.6,6.2,expored wrong,2-Kd low confidence,,,X20706,N/D,,2-Kd low confidence,,
1637,3.5,it3.5_AM-06_Imid-01_CA-17,AM-06-Imid-01-CA-17,COc1ccc(NC(=O)N2CCN(C(=O)c3cncc(Br)c3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_177,yes,31%,success,,,['success'],['PHIPA-x11262'],['1.28'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,2759.7,115,7.9,20.4,0,2863.4,37.3,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1638,3.5,it3.5_AM-06_Imid-01_CA-18,AM-06-Imid-01-CA-18,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_178,Unknown - m/s range of major peak too low,54% (major peak),no ms,,,['success'],['PHIPA-x11598'],['1.09'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,2594.7,139.9,2.9,43.3,0,1107.1,13.7,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1639,3.5,it3.5_AM-06_Imid-01_CA-19,AM-06-Imid-01-CA-19,COc1ccc(NC(=O)N2CCN(C(=O)C#Cc3ccccc3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_179,yes,16%,success,,,"['Data processing fail', 'success']","['PHIPA-x11263', 'PHIPA-x11548']","['', '1.42']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,2665.1,149.2,3.1,45.6,0,1156.1,17.2,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1640,3.5,it3.5_AM-06_Imid-01_CA-20,AM-06-Imid-01-CA-20,COc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_180,yes,18%,success,,,"['Data processing fail', 'success']","['PHIPA-x11264', 'PHIPA-x11549']","['', '1.4']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,2496.9,196.3,1.8,62.5,0,724,8.7,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1641,3.5,it3.5_AM-06_Imid-01_CA-21,AM-06-Imid-01-CA-21,COc1ccc(NC(=O)N2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_181,Unknown - poor ionisation,N/A,no ms,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11599', 'PHIPA-x12285']","['', '']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,2625.9,104.7,2.8,35.7,0,1068.3,17.3,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1642,3.5,it3.5_AM-06_Imid-01_CA-22,AM-06-Imid-01-CA-22,COc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_182,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,2472.1,158.2,2,55.9,0,799.2,11.6,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1643,3.5,it3.5_AM-06_Imid-01_CA-23,AM-06-Imid-01-CA-23,COc1ccc(NC(=O)N2CCN(C(=O)c3cscn3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_183,yes,Trace,success,*very weak sample,,['success'],['PHIPA-x11600'],['1.51'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,2464.3,404.4,2,156.9,0,802.2,6.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1644,3.5,it3.5_AM-06_Imid-01_CA-24,AM-06-Imid-01-CA-24,COc1ccc(NC(=O)N2CCN(C(=O)c3ccno3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_184,Unknown - not all peaks analysed,N/A,no ms,,,"['Data processing fail', 'Data processing fail']","['PHIPA-x11601', 'PHIPA-x12286']","['', '']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,2527.6,199.6,2.1,61.5,0,847.1,13,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1645,3.5,it3.5_AM-06_Imid-01_CA-25,AM-06-Imid-01-CA-25,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)o3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_185,yes,53%,success,,,"['success', 'success', 'success']","['PHIPA-x11265', 'PHIPA-x12290', 'PHIPA-x12298']","['1.2', '1.36', '1.09']",yes,"['PHIPA-x11265', 'PHIPA-x12290']","['', '']","['product', 'product']","['COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)o3)CC2)cc1', 'COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)o3)CC2)cc1']","['weak', 'weak']","['too weak to merge', 'way too weak']",AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,2514.1,65.4,1.7,21.9,0,668.8,4.8,expored wrong,3-Kd high confidence,,,X20706,success,not deposited - weak,3-Kd high confidence,,
1646,3.5,it3.5_AM-06_Imid-01_CA-26,AM-06-Imid-01-CA-26,COc1ccc(NC(=O)N2CCN(C(=O)c3sccc3O)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_186,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,5187.7,41.9,6.6,14.6,0,1269.9,24,expored wrong,3-Kd high confidence,,,X20706,fail,,3-Kd high confidence,,
1647,3.5,it3.5_AM-06_Imid-01_CA-27,AM-06-Imid-01-CA-27,COc1ccc(NC(=O)N2CCN(C(=O)c3ccoc3C)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_187,yes,56%,success,,,['success'],['PHIPA-x11266'],['1.09'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,2461.4,212.2,1.8,63.1,0,740.9,8.7,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1648,3.5,it3.5_AM-06_Imid-01_CA-28,AM-06-Imid-01-CA-28,COc1ccc(NC(=O)N2CCN(C(=O)c3ncn[nH]3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_188,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,4137.7,82.8,8,21.2,0,1932.5,55,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1649,3.5,it3.5_AM-06_Imid-01_CA-29,AM-06-Imid-01-CA-29,COc1ccc(NC(=O)N2CCN(C(=O)c3cc(C)c(C)o3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_189,yes,46%,success,,,['success'],['PHIPA-x11267'],['1.23'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,2469.1,202.1,1.9,62.5,0,780.6,11,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1650,3.5,it3.5_AM-06_Imid-01_CA-30,AM-06-Imid-01-CA-30,COc1ccc(NC(=O)N2CCN(C(=O)c3sccc3F)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_190,yes,43%,success,,,['success'],['PHIPA-x11268'],['1.44'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,2392.2,181,2,59.4,0,843.4,11.5,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1651,3.5,it3.5_AM-06_Imid-01_CA-31,AM-06-Imid-01-CA-31,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)o3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_191,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,2488.8,121.6,2,38.1,0,804.1,10.1,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1652,3.5,it3.5_AM-06_Imid-01_CA-32,AM-06-Imid-01-CA-32,COc1ccc(NC(=O)N2CCN(C(=O)c3ncco3)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_192,yes,45%,success,,,['success'],['PHIPA-x11269'],['1.51'],no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,2485.1,157.2,2,49.6,0,801,8.8,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1653,3.5,it3.5_AM-07_Imid-01_CA-01,AM-07-Imid-01-CA-01,CCCCNC(=O)N1CCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_193,yes,41%,success,,,['success'],['PHIPA-x11270'],['1.13'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,2437.4,466.3,1.9,179.8,0,775.4,2.7,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1654,3.5,it3.5_AM-07_Imid-01_CA-02,AM-07-Imid-01-CA-02,CCCCNC(=O)N1CCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_194,yes,40%,success,,,"['success', 'success']","['PHIPA-x11271', 'PHIPA-x11550']","['1.91', '1.09']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,2390,284.5,1.9,98.9,0,781.3,4.3,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1655,3.5,it3.5_AM-07_Imid-01_CA-03,AM-07-Imid-01-CA-03,CCCCNC(=O)N1CCN(C(=O)c2ccc(C)c(N)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_195,yes,30%,success,,,"['success', 'success']","['PHIPA-x11272', 'PHIPA-x11551']","['1.8', '1.13']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,2458.6,430.4,1.8,142.2,0,747.4,3.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1656,3.5,it3.5_AM-07_Imid-01_CA-04,AM-07-Imid-01-CA-04,CCCCNC(=O)N1CCN(C(=O)c2ccnn2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_196,yes,41%,success,,,['success'],['PHIPA-x11273'],['1.18'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,2490.1,177.1,1.9,52.6,0,762.9,7.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1657,3.5,it3.5_AM-07_Imid-01_CA-05,AM-07-Imid-01-CA-05,CCCCNC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_197,Unknown - mass range insufficient on major peak,41% (major peak),no ms,*M/s range stops below the product mass,,"['success', 'success']","['PHIPA-x11602', 'PHIPA-x12281']","['1.61', '1.4']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,4474.2,52.2,11.5,12.2,0,2561.5,40.5,expored wrong,3-Kd high confidence,,,X20706,no ms,,3-Kd high confidence,,
1658,3.5,it3.5_AM-07_Imid-01_CA-06,AM-07-Imid-01-CA-06,CCCCNC(=O)N1CCN(C(=O)c2cn(C)cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_198,yes - in solvent front,Unknown,success,,,['success'],['PHIPA-x11603'],['1.09'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,2449.5,744.7,1.9,253.4,0,781.3,2.3,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1659,3.5,it3.5_AM-07_Imid-01_CA-07,AM-07-Imid-01-CA-07,CCCCNC(=O)N1CCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_199,yes,28%,success,,,['success'],['PHIPA-x11274'],['1.3'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,2462.2,1600.6,2,666.9,0,802.5,0.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1660,3.5,it3.5_AM-07_Imid-01_CA-08,AM-07-Imid-01-CA-08,CCCCNC(=O)N1CCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_200,yes,28%,success,,,['success'],['PHIPA-x11275'],['1.52'],yes,['PHIPA-x11275'],['under 5S9G'],['SM'],['O=C(O)c1ccc2ncsc2c1'],['ok'],['SM bound - not merged'],AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,2447.8,239.3,1.9,76.2,0,761.1,8.2,expored wrong,2-Kd low confidence,,,X20706,success,under 5S9G,2-Kd low confidence,,
1661,3.5,it3.5_AM-07_Imid-01_CA-09,AM-07-Imid-01-CA-09,CCCCNC(=O)N1CCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_201,Unknown - no/poor ionisation,81% (major peak),no ms,,,['success'],['PHIPA-x11604'],['1.47'],yes,['PHIPA-x11604'],['under 5S96'],['SM'],['O=C(O)c1ccccc1O'],['ok'],['SM bound not merged'],AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,2408,415.3,1.8,147.6,0,732.1,5.5,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1662,3.5,it3.5_AM-07_Imid-01_CA-10,AM-07-Imid-01-CA-10,CCCCNC(=O)N1CCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_202,Mass in solvent front,Trace,success,,,['success'],['PHIPA-x11605'],['1.09'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,100,5649.2,0,131336826.7,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1663,3.5,it3.5_AM-07_Imid-01_CA-11,AM-07-Imid-01-CA-11,CCCCNC(=O)N1CCN(C(=O)c2cccc(C)c2N)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_203,to fill,to fill,to fill,to fill,to fill,['success'],['PHIPA-x12310'],['1.18'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,7033.7,56.6,13,19.8,0,1854.7,39,expored wrong,3-Kd high confidence,,,X20706,to fill,,3-Kd high confidence,,
1664,3.5,it3.5_AM-07_Imid-01_CA-12,AM-07-Imid-01-CA-12,CCCCNC(=O)N1CCN(C(=O)Cc2ccccc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_204,yes,20%,success,,,['success'],['PHIPA-x11276'],['1.33'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,2399.2,1816,1.7,964.7,0,719,0.4,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1665,3.5,it3.5_AM-07_Imid-01_CA-13,AM-07-Imid-01-CA-13,CCCCNC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_205,yes,19%,success,,,['success'],['PHIPA-x11277'],['1.29'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,2480.4,104.8,2,33,0,812,6.5,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1666,3.5,it3.5_AM-07_Imid-01_CA-14,AM-07-Imid-01-CA-14,CCCCNC(=O)N1CCN(C(=O)c2cccn2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_206,Unknown - no/poor ionisation,64% (Major peak),no ms,No mass of the major peak,,['success'],['PHIPA-x11606'],['1.21'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,2474.2,957.7,2,264.5,0,803.7,2.4,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1667,3.5,it3.5_AM-07_Imid-01_CA-15,AM-07-Imid-01-CA-15,CCCCNC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_207,yes,69%,success,,,['success'],['PHIPA-x11278'],['1.3'],yes,['PHIPA-x11278'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound'],AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,2423.2,296.5,1.9,91.7,0,789.1,4.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1668,3.5,it3.5_AM-07_Imid-01_CA-16,AM-07-Imid-01-CA-16,CCCCNC(=O)N1CCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_208,yes,5%,success,,,['success'],['PHIPA-x11607'],['1.25'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,2486,1467,2,829.5,0,810.2,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1669,3.5,it3.5_AM-07_Imid-01_CA-17,AM-07-Imid-01-CA-17,CCCCNC(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_209,yes,50%,success,,,['success'],['PHIPA-x11279'],['1.17'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,2474.5,609.1,2,246.9,0,793.1,1.2,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1670,3.5,it3.5_AM-07_Imid-01_CA-18,AM-07-Imid-01-CA-18,CCCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_210,yes,36%,success,,,['success'],['PHIPA-x11280'],['1.52'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,2362.6,212.1,1,72.1,0,412.2,6.2,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1671,3.5,it3.5_AM-07_Imid-01_CA-19,AM-07-Imid-01-CA-19,CCCCNC(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_211,yes,29%,success,,,['success'],['PHIPA-x11281'],['1.16'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,6455.3,81.9,8.9,29.9,0,1374.6,56.3,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1672,3.5,it3.5_AM-07_Imid-01_CA-20,AM-07-Imid-01-CA-20,CCCCNC(=O)N1CCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_212,yes,45%,success,,,['success'],['PHIPA-x11282'],['1.47'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,3678.5,65.1,4.9,20.3,0,1330.2,21.9,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1673,3.5,it3.5_AM-07_Imid-01_CA-21,AM-07-Imid-01-CA-21,CCCCNC(=O)N1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_213,trace levels of -Boc,Trace,trace,*very weak sample,,['success'],['PHIPA-x11608'],['1.09'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,2477.2,915.6,2.1,303.8,0,850.9,2.9,expored wrong,2-Kd low confidence,,,X20706,trace,,2-Kd low confidence,,
1674,3.5,it3.5_AM-07_Imid-01_CA-22,AM-07-Imid-01-CA-22,CCCCNC(=O)N1CCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_214,yes,36%,success,,,"['success', 'success']","['PHIPA-x11283', 'PHIPA-x11552']","['1.73', '1.12']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,2555.6,201.2,2.5,71.1,0,965.6,8.5,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1675,3.5,it3.5_AM-07_Imid-01_CA-23,AM-07-Imid-01-CA-23,CCCCNC(=O)N1CCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_215,yes,40%,success,,,['success'],['PHIPA-x11284'],['1.45'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,2423,1219.6,1.8,619.5,0,730.3,1.3,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1676,3.5,it3.5_AM-07_Imid-01_CA-24,AM-07-Imid-01-CA-24,CCCCNC(=O)N1CCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_216,yes,30%,success,,,['success'],['PHIPA-x11285'],['1.53'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,100,10400.5,0,390135607.1,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1677,3.5,it3.5_AM-07_Imid-01_CA-25,AM-07-Imid-01-CA-25,CCCCNC(=O)N1CCN(C(=O)c2ccc(C)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_217,yes,46%,success,,,['success'],['PHIPA-x11286'],['1.3'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,2479.8,199.4,1.9,68.9,0,766.5,4.9,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1678,3.5,it3.5_AM-07_Imid-01_CA-26,AM-07-Imid-01-CA-26,CCCCNC(=O)N1CCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_218,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,2434.8,223.6,1.8,75.5,0,727,3.2,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1679,3.5,it3.5_AM-07_Imid-01_CA-27,AM-07-Imid-01-CA-27,CCCCNC(=O)N1CCN(C(=O)c2ccoc2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_219,no,0%,fail,*poor ionisation so could have worked,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,2455.7,324.4,1.9,104.8,0,759,6.2,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1680,3.5,it3.5_AM-07_Imid-01_CA-28,AM-07-Imid-01-CA-28,CCCCNC(=O)N1CCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_220,Unknown - weak ionisation,32% (major peak),no ms,*No m/s of major peak,,['success'],['PHIPA-x11609'],['1.09'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,2465,622.8,1.9,214.1,0,765.3,4.8,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1681,3.5,it3.5_AM-07_Imid-01_CA-29,AM-07-Imid-01-CA-29,CCCCNC(=O)N1CCN(C(=O)c2cc(C)c(C)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_221,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,2427,1931.6,1.8,941.1,0,758.6,0.2,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1682,3.5,it3.5_AM-07_Imid-01_CA-30,AM-07-Imid-01-CA-30,CCCCNC(=O)N1CCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_222,yes,46%,success,,,['success'],['PHIPA-x11287'],['1.16'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,2479.3,360.4,2,128.2,0,805.3,5.1,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1683,3.5,it3.5_AM-07_Imid-01_CA-31,AM-07-Imid-01-CA-31,CCCCNC(=O)N1CCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_223,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,376.2,4172.2,0,549936403.9,0,0,0,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1684,3.5,it3.5_AM-07_Imid-01_CA-32,AM-07-Imid-01-CA-32,CCCCNC(=O)N1CCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_224,yes,23%,success,,,['success'],['PHIPA-x11288'],['1.3'],no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,2461.6,839.2,2,409.7,0,826.4,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1685,3.5,it3.5_AM-08_Imid-01_CA-01,AM-08-Imid-01-CA-01,CC(C)NC(=O)N1CCN(C(=O)c2scc3c2OCCO3)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_225,yes,15%,success,,,['success'],['PHIPA-x11289'],['1.2'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-01,O=C(O)C1=C(OCCO2)C2=CS1,2478.2,221.9,1.9,72.2,0,761.4,1.6,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1686,3.5,it3.5_AM-08_Imid-01_CA-02,AM-08-Imid-01-CA-02,CC(C)NC(=O)N1CCN(C(=O)c2cocn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_226,yes,38%,success,,,['success'],['PHIPA-x11290'],['1.13'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-02,O=C(O)C1=COC=N1,8524,26.2,2.2,19.2,0,259.9,4.8,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1687,3.5,it3.5_AM-08_Imid-01_CA-03,AM-08-Imid-01-CA-03,Cc1ccc(C(=O)N2CCN(C(=O)NC(C)C)CC2)cc1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_227,Unknown - multiple peaks not all with mass traces,N/A,no ms,*messy profile - no mass observed but a lot of peaks have no m/s,,['success'],['PHIPA-x11610'],['1.11'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-03,O=C(O)C1=CC(N)=C(C)C=C1,5689.4,55.5,11.4,16.4,0,1998.8,47.2,expored wrong,3-Kd high confidence,,,X20706,no ms,,3-Kd high confidence,,
1688,3.5,it3.5_AM-08_Imid-01_CA-04,AM-08-Imid-01-CA-04,CC(C)NC(=O)N1CCN(C(=O)c2ccnn2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_228,yes,14%,success,*very weak,,['success'],['PHIPA-x11291'],['1.17'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-04,O=C(O)C1=CC=NN1C,3211.9,185.4,7.2,42.7,0,2242.1,31.3,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1689,3.5,it3.5_AM-08_Imid-01_CA-05,AM-08-Imid-01-CA-05,COc1cccc(OC)c1C(=O)N1CCN(C(=O)NC(C)C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_229,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-05,O=C(C1=C(OC)C=CC=C1OC)O,2498.4,1662.4,2.1,559.6,0,833.4,0,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1690,3.5,it3.5_AM-08_Imid-01_CA-06,AM-08-Imid-01-CA-06,CC(C)NC(=O)N1CCN(C(=O)c2cn(C)cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_230,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-06,O=C(C1=CN(C)C=N1)O,2472.3,2875.3,2,665.9,0,822,0,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1691,3.5,it3.5_AM-08_Imid-01_CA-07,AM-08-Imid-01-CA-07,CC(C)NC(=O)N1CCN(C(=O)c2ccccn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_231,yes,43%,success,,,['success'],['PHIPA-x11292'],['1.15'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-07,O=C(O)C1=NC=CC=C1,2398.2,401.5,1.8,147.9,0,765.8,5.4,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1692,3.5,it3.5_AM-08_Imid-01_CA-08,AM-08-Imid-01-CA-08,CC(C)NC(=O)N1CCN(C(=O)c2ccc3ncsc3c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_232,yes,28%,success,,,['success'],['PHIPA-x11293'],['1.3'],yes,['PHIPA-x11293'],['under 5S9G'],['SM'],['O=C(O)c1ccc2ncsc2c1'],['ok'],['SM bound'],AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-08,OC(C1=CC=C(N=CS2)C2=C1)=O,2481,492.3,2,182.3,0,806,4.8,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1693,3.5,it3.5_AM-08_Imid-01_CA-09,AM-08-Imid-01-CA-09,CC(C)NC(=O)N1CCN(C(=O)c2ccccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_233,Unknown - no ionisation,79% (Major peak),no ms,*Single peak but no ionisation,,['success'],['PHIPA-x11611'],['1.17'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-09,OC(C1=CC=CC=C1O)=O,2474.3,247.1,1.9,76.4,0,770.4,1.5,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1694,3.5,it3.5_AM-08_Imid-01_CA-10,AM-08-Imid-01-CA-10,CC(C)NC(=O)N1CCN(C(=O)c2c[nH]cn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_234,Yes - in solvent front,Overlapping peaks,success,*mass in the solvent front with several peaks,,['success'],['PHIPA-x11612'],['1.51'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-10,O=C(C1=CNC=N1)O,100,5781,0,194573255.5,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1695,3.5,it3.5_AM-08_Imid-01_CA-11,AM-08-Imid-01-CA-11,Cc1cccc(C(=O)N2CCN(C(=O)NC(C)C)CC2)c1N,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_235,to fill,to fill,to fill,to fill,to fill,['Data processing fail'],['PHIPA-x12311'],[''],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-11,O=C(O)C1=CC=CC(C)=C1N,5161,90,9.1,26.5,0,1760.8,40.1,expored wrong,2-Kd low confidence,,,X20706,to fill,,2-Kd low confidence,,
1696,3.5,it3.5_AM-08_Imid-01_CA-12,AM-08-Imid-01-CA-12,CC(C)NC(=O)N1CCN(C(=O)Cc2ccccc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_236,yes,8%,success,,,['success'],['PHIPA-x11613'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-12,OC(CC1=CC=CC=C1)=O,2675.1,170.3,3.2,51.9,0,1205.1,14.5,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1697,3.5,it3.5_AM-08_Imid-01_CA-13,AM-08-Imid-01-CA-13,Cc1ccc(C(=O)N2CCN(C(=O)NC(C)C)CC2)cc1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_237,yes,15%*,success,*Overlapping peaks in m/s,,['success'],['PHIPA-x11614'],['1.09'],yes,['PHIPA-x11614'],[''],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-13,CC1=CC=C(C(O)=O)C=C1,6656,66.7,0.2,90.8,0,33.4,30,expored wrong,2-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1698,3.5,it3.5_AM-08_Imid-01_CA-14,AM-08-Imid-01-CA-14,CC(C)NC(=O)N1CCN(C(=O)c2cccn2C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_238,yes,9%,success,,,['success'],['PHIPA-x11615'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-14,CN1C(C(O)=O)=CC=C1,100,12807,0,309388806.8,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1699,3.5,it3.5_AM-08_Imid-01_CA-15,AM-08-Imid-01-CA-15,COc1cccc(C(=O)N2CCN(C(=O)NC(C)C)CC2)c1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_239,yes,22%,success,,,['success'],['PHIPA-x11294'],['1.22'],yes,['PHIPA-x11294'],['under 5S9B'],['SM'],['COc1cccc(C(=O)O)c1'],['ok'],['SM bound'],AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-15,COC1=CC=CC(C(O)=O)=C1,4045.3,60.4,0.1,26.9,0,29.3,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1700,3.5,it3.5_AM-08_Imid-01_CA-16,AM-08-Imid-01-CA-16,CC(C)NC(=O)N1CCN(C(=O)c2cccs2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_240,yes,12%,success,,,['success'],['PHIPA-x11295'],['1.22'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-16,OC(C1=CC=CS1)=O,2488.8,1713.9,2,833.8,0,818.1,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1701,3.5,it3.5_AM-08_Imid-01_CA-17,AM-08-Imid-01-CA-17,CC(C)NC(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_241,yes,14%,success,,,['success'],['PHIPA-x11296'],['1.29'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-17,OC(C1=CC(Br)=CN=C1)=O,2637,112.9,0.1,122.4,0,31,0.7,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1702,3.5,it3.5_AM-08_Imid-01_CA-18,AM-08-Imid-01-CA-18,CC(C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_242,yes,17%,success,,,['success'],['PHIPA-x11297'],['1.34'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-18,OC(C1=CC=C([N+]([O-])=O)O1)=O,2530.9,57.3,1.2,18.6,0,490.2,4.8,expored wrong,3-Kd high confidence,,,X20706,success,,3-Kd high confidence,,
1703,3.5,it3.5_AM-08_Imid-01_CA-19,AM-08-Imid-01-CA-19,CC(C)NC(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_243,yes,12%,success,,,['success'],['PHIPA-x11298'],['1.44'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-19,OC(C#CC1=CC=CC=C1)=O,2472.8,139,2,44.3,0,791.6,14,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1704,3.5,it3.5_AM-08_Imid-01_CA-20,AM-08-Imid-01-CA-20,CC(C)NC(=O)N1CCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_244,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-20,O=C(O)C1=CC=CO1,3521.8,149,0.1,123.7,0,25.7,8.3,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1705,3.5,it3.5_AM-08_Imid-01_CA-21,AM-08-Imid-01-CA-21,CC(C)NC(=O)N1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_245,Unknown - mixture of peaks and masses which may show the DeBoc,N/A,no ms,*Potential deboc material (lost in formic?),,['success'],['PHIPA-x11616'],['1.35'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-21,OC(CNC(OC(C)(C)C)=O)=O,2455.1,685.5,1.8,221.3,0,752.5,6.6,expored wrong,2-Kd low confidence,,,X20706,no ms,,2-Kd low confidence,,
1706,3.5,it3.5_AM-08_Imid-01_CA-22,AM-08-Imid-01-CA-22,CC(C)NC(=O)N1CCN(C(=O)c2ccoc2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_246,yes,10%,success,,,"['success', 'success']","['PHIPA-x11617', 'PHIPA-x12276']","['1.92', '1.75']",no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-22,O=C(O)C1=COC=C1,100,8355.8,0,160962871.1,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1707,3.5,it3.5_AM-08_Imid-01_CA-23,AM-08-Imid-01-CA-23,CC(C)NC(=O)N1CCN(C(=O)c2cscn2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_247,yes,41%,success,,,['success'],['PHIPA-x11299'],['1.29'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-23,O=C(O)C1=CSC=N1,100,11621,0,186872588.8,0,0,0,expored wrong,0-no binding,,,X20706,success,,0-no binding,,
1708,3.5,it3.5_AM-08_Imid-01_CA-24,AM-08-Imid-01-CA-24,CC(C)NC(=O)N1CCN(C(=O)c2ccno2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_248,yes - overlapping peaks,N/a,success,*several close running/overlapping peaks,,['success'],['PHIPA-x11618'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-24,O=C(O)C1=CC=NO1,2466.9,2158,1.9,1125,0,787.1,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1709,3.5,it3.5_AM-08_Imid-01_CA-25,AM-08-Imid-01-CA-25,Cc1ccc(C(=O)N2CCN(C(=O)NC(C)C)CC2)o1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_249,Unknown - no m/s of main peaks,n/a,no ms,,,['success'],['PHIPA-x11619'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-25,CC1=CC=C(O1)C(O)=O,2464.3,61.4,1.8,19.6,0,726.6,1.2,expored wrong,3-Kd high confidence,,,X20706,no ms,,3-Kd high confidence,,
1710,3.5,it3.5_AM-08_Imid-01_CA-26,AM-08-Imid-01-CA-26,CC(C)NC(=O)N1CCN(C(=O)c2sccc2O)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_250,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-26,OC1=C(SC=C1)C(O)=O,3086.6,39.3,0.7,17.6,0,226.7,3.3,expored wrong,3-Kd high confidence,,,X20706,fail,,3-Kd high confidence,,
1711,3.5,it3.5_AM-08_Imid-01_CA-27,AM-08-Imid-01-CA-27,Cc1occc1C(=O)N1CCN(C(=O)NC(C)C)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_251,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-27,CC(OC=C1)=C1C(O)=O,2485.3,212.9,2,64.3,0,818.9,4.5,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1712,3.5,it3.5_AM-08_Imid-01_CA-28,AM-08-Imid-01-CA-28,CC(C)NC(=O)N1CCN(C(=O)c2ncn[nH]2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_252,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-28,O=C(O)C1=NC=NN1,6263.3,32.7,7.6,12.4,0,1220.8,17,expored wrong,3-Kd high confidence,,,X20706,fail,,3-Kd high confidence,,
1713,3.5,it3.5_AM-08_Imid-01_CA-29,AM-08-Imid-01-CA-29,Cc1cc(C(=O)N2CCN(C(=O)NC(C)C)CC2)oc1C,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_253,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-29,CC1=C(C)C=C(O1)C(O)=O,3232,1319,0,3552194402,0,0,0,expored wrong,0-no binding,,,X20706,fail,,0-no binding,,
1714,3.5,it3.5_AM-08_Imid-01_CA-30,AM-08-Imid-01-CA-30,CC(C)NC(=O)N1CCN(C(=O)c2sccc2F)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_254,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-30,FC1=C(SC=C1)C(O)=O,2465.6,2129.7,2,1279.1,0,797.8,0,expored wrong,2-Kd low confidence,,,X20706,fail,,2-Kd low confidence,,
1715,3.5,it3.5_AM-08_Imid-01_CA-31,AM-08-Imid-01-CA-31,CC(C)NC(=O)N1CCN(C(=O)c2ccc(Cl)o2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_255,no,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-31,ClC1=CC=C(O1)C(O)=O,100,1403.1,0,37116469,0,0,0,expored wrong,0-no binding,,,X20706,fail,,0-no binding,,
1716,3.5,it3.5_AM-08_Imid-01_CA-32,AM-08-Imid-01-CA-32,CC(C)NC(=O)N1CCN(C(=O)c2ncco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration 3.5_piperazine_01,it3.5-final-series1-amide_256,yes - very weak,N/a,success,weak LCMS - hard to deduce correct peak,,['success'],['PHIPA-x11620'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],CA-32,O=C(C1=NC=CO1)O,2466.4,1221.9,2,657,0,792.2,0,expored wrong,2-Kd low confidence,,,X20706,success,,2-Kd low confidence,,
1717,3.5,it3.5_AM-01_Imid-01_CA-20_control,SHH-567-1,COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration_3.5,,,,,,,"['success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success']","['PHIPA-x11099', 'PHIPA-x11107', 'PHIPA-x11115', 'PHIPA-x11123', 'PHIPA-x11131', 'PHIPA-x11135', 'PHIPA-x11143', 'PHIPA-x11150', 'PHIPA-x11158', 'PHIPA-x11517']","['3.4', '1.27', '2.3', '1.49', '1.26', '1.25', '1.19', '1.51', '1.1', '1.17']",yes,"['PHIPA-x11123', 'PHIPA-x11135', 'PHIPA-x11143', 'PHIPA-x11150', 'PHIPA-x11158', 'PHIPA-x11517']","['under 5S90', 'under 5S90', 'under 5S90', 'under 5S90', '5S90', 'under 5S90']","['product', 'product', 'product', 'product', 'product', 'product']","['COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1', 'COCCNC(=O)N1CCN(C(=O)c2ccco2)CC1']","['ok', 'clear', 'clear', 'clear', 'clear', 'clear']","['not as clear', 'clear', 'clear', 'clear', 'clear', 'clear']",,,,,,,,,,,,,,,,,,X20706,,,,,
1718,3.5,it3.5_AM-02_Imid-01_CA-20_control,SHH-568-1,O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration_3.5,,,,,,,"['success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success']","['PHIPA-x11100', 'PHIPA-x11108', 'PHIPA-x11116', 'PHIPA-x11124', 'PHIPA-x11132', 'PHIPA-x11136', 'PHIPA-x11144', 'PHIPA-x11151', 'PHIPA-x11159', 'PHIPA-x11518']","['1.24', '1.86', '2.07', '1.33', '3.09', '2.84', '1.39', '1.44', '1.82', '1.23']",yes,"['PHIPA-x11100', 'PHIPA-x11124', 'PHIPA-x11144', 'PHIPA-x11151', 'PHIPA-x11159', 'PHIPA-x11518']","['5S8Y', 'under 5S8Y', 'under 5S8Y', 'under 5S8Y', 'under 5S8Y', 'under 5S8Y']","['product', 'product', 'product', 'product', 'product', 'product']","['O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC1CC1)N1CCN(C(=O)c2ccco2)CC1']","['clear', 'clear', 'ok', 'clear', 'clear', 'clear']","['clear', 'clear', 'not as clear', 'clear', 'clear', 'clear']",,,,,,,,,,,,,,,,,,X20706,,,,,
1719,3.5,it3.5_AM-03_Imid-01_CA-20_control,SHH-569-1,O=C(NCc1cccs1)N1CCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration_3.5,,,,,,,"['success', 'success', 'success', 'success', 'success', 'success', 'Data processing fail', 'success', 'success', 'success']","['PHIPA-x11101', 'PHIPA-x11109', 'PHIPA-x11117', 'PHIPA-x11125', 'PHIPA-x11133', 'PHIPA-x11137', 'Fail Mount', 'PHIPA-x11152', 'PHIPA-x11160', 'PHIPA-x11519']","['1.2', '2.01', '1.25', '1.93', '1.95', '1.3', '', '1.23', '1.21', '1.59']",yes,"['PHIPA-x11101', 'PHIPA-x11117']","['under 5S8Z', '5S8Z']","['product', 'product']","['O=C(NCc1cccs1)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCc1cccs1)N1CCN(C(=O)c2ccco2)CC1']","['clear', 'clear']","['mistake - it is the trifluoro not the thiophene', 'clear and thiophene']",,,,,,,,,,,,,,,,,,X20706,,,,,
1720,3.5,it3.5_AM-04_Imid-01_CA-20_control,SHH-570-1,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1,"for selected ureas, SAR around the piperazine core and and furan substitutions",Iteration_3.5,,,,,,,"['success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success', 'success']","['PHIPA-x11102', 'PHIPA-x11110', 'PHIPA-x11118', 'PHIPA-x11126', 'PHIPA-x11134', 'PHIPA-x11138', 'PHIPA-x11145', 'PHIPA-x11153', 'PHIPA-x11161', 'PHIPA-x11520', 'PHIPA-x12245', 'PHIPA-x12247']","['1.27', '1.19', '1.54', '1.35', '1.2', '1.61', '2.47', '2.30', '1.29', '1.23', '1.38', '1.24']",yes,"['PHIPA-x11102', 'PHIPA-x11118', 'PHIPA-x11138', 'PHIPA-x11161', 'PHIPA-x11520', 'PHIPA-x12247', 'PHIPA-x12245']","['under 5S91', 'under 5S91', 'under 5S91', '5S91', 'under 5S91', 'under 5S91', 'under 5S91']","['product', 'product', 'product', 'product', 'product', 'product', 'product']","['O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1', 'O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccco2)CC1']","['weak', 'clear', 'clear', 'clear', 'clear', 'clear', 'weak']","['weak', 'clear', 'clear', 'clear', 'clear', 'why was it resoaked? - clear', 'very weak']",,,,,,,,,,,,,,,,,,X20706,,,,,
1721,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-01,PHIP-s4-prod01,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCOC)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10895'],['1.31'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,X20706 and ??,fail,,,,
1722,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-01,PHIP-s4-prod02,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10896'],['1.39'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1723,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-01,PHIP-s4-prod03,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10897'],['1.154'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1724,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-01,PHIP-s4-prod04,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10898'],['1.171'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1725,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-01,PHIP-s4-prod05,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)N(C)Cc3ccc(C)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10899'],['1.149'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1726,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-01,PHIP-s4-prod06,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10900'],['1.26'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1727,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-01,PHIP-s4-prod07,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC3CCCO3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10901'],['1.21'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1728,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-01,PHIP-s4-prod08,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCOC)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10902'],['1.37'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1729,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-01,PHIP-s4-prod09,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCCO)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10903'],['1.25'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1730,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-01,PHIP-s4-prod10,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10904'],['1.40'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1731,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-02,PHIP-s4-prod11,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10905'],['1.19'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1732,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-02,PHIP-s4-prod12,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10906'],['1.18'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1733,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-02,PHIP-s4-prod13,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10907'],['1.34'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1734,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-02,PHIP-s4-prod14,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10908'],['1.21'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1735,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-02,PHIP-s4-prod15,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCC4CC4)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10909'],['1.26'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1736,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-02,PHIP-s4-prod16,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCC4CC4)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10910'],['1.16'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1737,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-02,PHIP-s4-prod17,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10911'],['1.34'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1738,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-02,PHIP-s4-prod18,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10912'],['1.19'],yes,['PHIPA-x10912'],[''],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1739,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-02,PHIP-s4-prod19,O=C(NCCO)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10913'],['1.30'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1740,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-02,PHIP-s4-prod20,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10914'],['1.42'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1741,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-03,PHIP-s4-prod21,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10915'],['1.41'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1742,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-03,PHIP-s4-prod22,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10916'],['1.19'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1743,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-03,PHIP-s4-prod23,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x10917'],[''],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1744,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-03,PHIP-s4-prod24,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x10918'],[''],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1745,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-03,PHIP-s4-prod25,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCC(F)(F)F)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10919'],['1.33'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1746,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-03,PHIP-s4-prod26,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCC(F)(F)F)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10920'],['1.16'],yes,['PHIPA-x10920'],[''],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1747,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-03,PHIP-s4-prod27,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10921'],['1.18'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1748,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-03,PHIP-s4-prod28,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10922'],['1.20'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1749,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-03,PHIP-s4-prod29,O=C(NCCO)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10923'],['1.47'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1750,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-03,PHIP-s4-prod30,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10924'],['1.140'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1751,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-04,PHIP-s4-prod31,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10925'],['1.41'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1752,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-04,PHIP-s4-prod32,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x10926'],[''],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1753,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-04,PHIP-s4-prod33,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10927'],['1.24'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1754,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-04,PHIP-s4-prod34,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10928'],['1.22'],yes,['PHIPA-x10928'],[''],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1755,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-04,PHIP-s4-prod35,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCc4cccs4)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10929'],['1.37'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1756,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-04,PHIP-s4-prod36,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCc4cccs4)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10930'],['1.20'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1757,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-04,PHIP-s4-prod37,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10931'],['1.22'],yes,['PHIPA-x10931'],[''],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1758,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-04,PHIP-s4-prod38,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10932'],['1.43'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1759,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-04,PHIP-s4-prod39,O=C(NCCO)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10933'],['1.28'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1760,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-04,PHIP-s4-prod40,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10934'],['1.140'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1761,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-05,PHIP-s4-prod41,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccc(C)o3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10935'],['1.37'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1762,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-05,PHIP-s4-prod42,Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC4CC4)CC3)o2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10936'],['1.21'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1763,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-05,PHIP-s4-prod43,Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC(F)(F)F)CC3)o2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10937'],['1.26'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1764,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-05,PHIP-s4-prod44,Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCc4cccs4)CC3)o2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10938'],['1.24'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1765,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-05,PHIP-s4-prod45,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccc(C)o4)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10939'],['1.27'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1766,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-05,PHIP-s4-prod46,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccc(C)o4)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x10940'],[''],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1767,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-05,PHIP-s4-prod47,Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC4CCCO4)CC3)o2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10941'],['1.29'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1768,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-05,PHIP-s4-prod48,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccc(C)o3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10942'],['1.31'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1769,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-05,PHIP-s4-prod49,Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCCO)CC3)o2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10943'],['1.43'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1770,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-05,PHIP-s4-prod50,Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCc4cccnc4)CC3)o2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10944'],['1.46'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1771,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-06,PHIP-s4-prod51,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cc(C)on3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10945'],['1.19'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1772,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-06,PHIP-s4-prod52,Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC4CC4)CC3)o2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10946'],['1.27'],yes,['PHIPA-x10946'],[''],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1773,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-06,PHIP-s4-prod53,Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC(F)(F)F)CC3)o2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x10947'],[''],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1774,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-06,PHIP-s4-prod54,Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCc4cccs4)CC3)o2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10948'],['1.27'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1775,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-06,PHIP-s4-prod55,Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)N(C)Cc4ccc(C)o4)CC3)o2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10949'],['1.42'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1776,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-06,PHIP-s4-prod56,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4cc(C)on4)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10950'],['1.20'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1777,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-06,PHIP-s4-prod57,Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC4CCCO4)CC3)o2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10951'],['1.29'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1778,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-06,PHIP-s4-prod58,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cc(C)on3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10952'],['1.50'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1779,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-06,PHIP-s4-prod59,Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCCO)CC3)o2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10953'],['1.21'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1780,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-06,PHIP-s4-prod60,Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCc4cccnc4)CC3)o2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10954'],['1.41'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1781,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-07,PHIP-s4-prod61,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10955'],['1.26'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1782,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-07,PHIP-s4-prod62,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10956'],['1.39'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1783,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-07,PHIP-s4-prod63,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10957'],['1.25'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1784,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-07,PHIP-s4-prod64,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10958'],['1.51'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1785,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-07,PHIP-s4-prod65,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCC4CCCO4)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10959'],['1.28'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1786,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-07,PHIP-s4-prod66,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCC4CCCO4)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10960'],['1.23'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1787,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-07,PHIP-s4-prod67,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10961'],['1.21'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1788,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-07,PHIP-s4-prod68,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10962'],['1.26'],yes,['PHIPA-x10962'],[''],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1789,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-07,PHIP-s4-prod69,O=C(NCCO)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10963'],['1.29'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1790,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-07,PHIP-s4-prod70,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10964'],['1.36'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1791,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-08,PHIP-s4-prod71,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10965'],['1.21'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1792,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-08,PHIP-s4-prod72,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x10966'],[''],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1793,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-08,PHIP-s4-prod73,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10967'],['2.92'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1794,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-08,PHIP-s4-prod74,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10968'],['1.21'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1795,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-08,PHIP-s4-prod75,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCCO)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10969'],['1.21'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1796,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-08,PHIP-s4-prod76,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCCO)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10970'],['1.50'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1797,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-08,PHIP-s4-prod77,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10971'],['1.23'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1798,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-08,PHIP-s4-prod78,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10972'],['1.174'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1799,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-08,PHIP-s4-prod79,O=C(NCCO)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10973'],['2.40'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1800,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-08,PHIP-s4-prod80,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10974'],['1.27'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1801,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-09,PHIP-s4-prod81,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10975'],['1.33'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1802,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-09,PHIP-s4-prod82,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10976'],['1.163'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1803,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-09,PHIP-s4-prod83,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10977'],['1.112'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1804,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-09,PHIP-s4-prod84,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10978'],['3.21'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1805,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-09,PHIP-s4-prod85,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCc4cccnc4)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10979'],['1.24'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1806,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-09,PHIP-s4-prod86,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCc4cccnc4)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10980'],['1.120'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1807,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-09,PHIP-s4-prod87,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10981'],['1.44'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1808,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-09,PHIP-s4-prod88,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x10982'],[''],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1809,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-09,PHIP-s4-prod89,O=C(NCCO)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10983'],['1.141'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1810,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-09,PHIP-s4-prod90,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10984'],['1.148'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1811,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-10,PHIP-s4-prod91,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCCOC)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10985'],['1.37'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1812,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-10,PHIP-s4-prod92,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10986'],['1.207'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1813,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-10,PHIP-s4-prod93,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10987'],['1.44'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1814,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-10,PHIP-s4-prod94,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10988'],['2.02'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1815,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-10,PHIP-s4-prod95,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)N(C)Cc3ccc(C)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10989'],['1.31'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1816,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-10,PHIP-s4-prod96,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x10990'],[''],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1817,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-10,PHIP-s4-prod97,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC3CCCO3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x10991'],[''],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1818,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-10,PHIP-s4-prod98,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC=C)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x10992'],[''],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1819,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-10,PHIP-s4-prod99,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCCO)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10993'],['1.22'],yes,['PHIPA-x10993'],[''],['solvent'],['CC(=O)N(C)C'],['-'],['dma bound'],AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1820,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-10,PHIP-s4-prod100,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10994'],['1.178'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1821,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-11,PHIP-s4-prod101,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10995'],['1.152'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1822,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-11,PHIP-s4-prod102,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10996'],['1.206'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1823,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-11,PHIP-s4-prod103,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10997'],['1.21'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1824,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-11,PHIP-s4-prod104,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10998'],['1.130'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1825,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-11,PHIP-s4-prod105,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NC4CCCC4)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x10999'],['1.48'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1826,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-11,PHIP-s4-prod106,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NC4CCCC4)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11000'],['1.52'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1827,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-11,PHIP-s4-prod107,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11001'],['1.156'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1828,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-11,PHIP-s4-prod108,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11002'],['1.43'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1829,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-11,PHIP-s4-prod109,O=C(NCCO)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11003'],['1.36'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1830,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-11,PHIP-s4-prod110,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11004'],['1.36'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1831,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-12,PHIP-s4-prod111,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11005'],['1.135'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1832,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-12,PHIP-s4-prod112,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11006'],['1.52'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1833,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-12,PHIP-s4-prod113,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11007'],['1.190'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1834,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-12,PHIP-s4-prod114,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11008'],['1.30'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1835,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-12,PHIP-s4-prod115,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11009'],['2.58'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1836,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-12,PHIP-s4-prod116,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11010'],['1.63'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1837,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-12,PHIP-s4-prod117,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11011'],['1.42'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1838,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-12,PHIP-s4-prod118,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11012'],['1.30'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1839,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-12,PHIP-s4-prod119,O=C(NCCO)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11013'],['1.27'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1840,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-12,PHIP-s4-prod120,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11014'],['1.62'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1841,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-13,PHIP-s4-prod121,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11015'],['1.24'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1842,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-13,PHIP-s4-prod122,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11016'],['1.36'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1843,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-13,PHIP-s4-prod123,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Failed - low resolution'],['PHIPA-x11017'],['3.89'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1844,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-13,PHIP-s4-prod124,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11018'],['2.65'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1845,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-13,PHIP-s4-prod125,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCSCC4)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11019'],['1.31'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1846,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-13,PHIP-s4-prod126,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCSCC4)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11020'],[''],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1847,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-13,PHIP-s4-prod127,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11021'],['1.31'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1848,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-13,PHIP-s4-prod128,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11022'],['1.40'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1849,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-13,PHIP-s4-prod129,O=C(NCCO)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11023'],[''],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1850,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-13,PHIP-s4-prod130,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11024'],[''],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1851,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-14,PHIP-s4-prod131,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11025'],['1.38'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1852,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-14,PHIP-s4-prod132,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11026'],['1.32'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1853,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-14,PHIP-s4-prod133,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11027'],['1.62'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1854,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-14,PHIP-s4-prod134,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11028'],['1.22'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1855,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-14,PHIP-s4-prod135,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ncco4)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11029'],['1.24'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1856,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-14,PHIP-s4-prod136,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ncco4)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11030'],['1.39'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1857,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-14,PHIP-s4-prod137,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11031'],['1.96'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1858,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-14,PHIP-s4-prod138,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11032'],['1.28'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1859,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-14,PHIP-s4-prod139,O=C(NCCO)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11033'],[''],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1860,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-14,PHIP-s4-prod140,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11034'],['1.155'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1861,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-15,PHIP-s4-prod141,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11035'],['1.135'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1862,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-15,PHIP-s4-prod142,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11036'],['1.168'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1863,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-15,PHIP-s4-prod143,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11037'],['1.59'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1864,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-15,PHIP-s4-prod144,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11038'],['1.15'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1865,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-15,PHIP-s4-prod145,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ncccn4)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11039'],['1.142'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1866,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-15,PHIP-s4-prod146,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ncccn4)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11040'],[''],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1867,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-15,PHIP-s4-prod147,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11041'],['1.128'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1868,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-15,PHIP-s4-prod148,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11042'],[''],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1869,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-15,PHIP-s4-prod149,O=C(NCCO)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11043'],['1.43'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1870,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-15,PHIP-s4-prod150,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11044'],['1.34'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1871,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-16,PHIP-s4-prod151,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11045'],['1.39'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1872,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-16,PHIP-s4-prod152,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11046'],[''],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1873,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-16,PHIP-s4-prod153,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11047'],['1.36'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1874,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-16,PHIP-s4-prod154,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11048'],['1.42'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1875,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-16,PHIP-s4-prod155,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccc(F)cc4F)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11049'],[''],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1876,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-16,PHIP-s4-prod156,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccc(F)cc4F)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11050'],['1.28'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1877,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-16,PHIP-s4-prod157,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11051'],['1.17'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1878,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-16,PHIP-s4-prod158,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11052'],['1.95'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1879,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-16,PHIP-s4-prod159,O=C(NCCO)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11053'],['1.10'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1880,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-16,PHIP-s4-prod160,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11054'],['2.46'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1881,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-17,PHIP-s4-prod161,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC(C)C)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11055'],[''],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1882,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-17,PHIP-s4-prod162,CC(C)CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11056'],['1.29'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1883,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-17,PHIP-s4-prod163,CC(C)CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11057'],['1.49'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1884,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-17,PHIP-s4-prod164,CC(C)CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11058'],['1.29'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1885,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-17,PHIP-s4-prod165,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC(C)C)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11059'],['1.71'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1886,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-17,PHIP-s4-prod166,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC(C)C)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11060'],['1.29'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1887,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-17,PHIP-s4-prod167,CC(C)CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC3CCCO3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11061'],['1.188'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1888,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-17,PHIP-s4-prod168,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC(C)C)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11062'],['1.52'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1889,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-17,PHIP-s4-prod169,CC(C)CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCCO)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11063'],['1.33'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1890,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-17,PHIP-s4-prod170,CC(C)CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11064'],['1.41'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1891,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-18,PHIP-s4-prod171,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11065'],[''],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1892,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-18,PHIP-s4-prod172,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11066'],['1.29'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1893,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-18,PHIP-s4-prod173,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11067'],['1.36'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1894,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-18,PHIP-s4-prod174,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11068'],['1.35'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1895,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-18,PHIP-s4-prod175,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCc4ccccc4)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11069'],['1.25'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1896,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-18,PHIP-s4-prod176,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCc4ccccc4)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11070'],['1.12'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1897,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-18,PHIP-s4-prod177,O=C(NCC1CCCO1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11071'],['1.26'],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1898,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-18,PHIP-s4-prod178,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11072'],['1.22'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1899,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-18,PHIP-s4-prod179,O=C(NCCO)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11073'],['1.41'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1900,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-18,PHIP-s4-prod180,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11074'],['1.23'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1901,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-19,PHIP-s4-prod181,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11075'],['1.27'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1902,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-19,PHIP-s4-prod182,CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC4CC4)CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11076'],['1.131'],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1903,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-19,PHIP-s4-prod183,CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC(F)(F)F)CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11077'],['1.22'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1904,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-19,PHIP-s4-prod184,CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCc4cccs4)CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11078'],['1.44'],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1905,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-19,PHIP-s4-prod185,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCN(S(C)(=O)=O)CC4)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11079'],['1.173'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1906,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-19,PHIP-s4-prod186,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCN(S(C)(=O)=O)CC4)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11080'],['1.52'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1907,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-19,PHIP-s4-prod187,CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC4CCCO4)CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11081'],[''],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1908,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-19,PHIP-s4-prod188,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11082'],['1.37'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1909,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-19,PHIP-s4-prod189,CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCCO)CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11083'],['1.30'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1910,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-19,PHIP-s4-prod190,CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCc4cccnc4)CC3)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11084'],['1.57'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1911,4.1,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-20,PHIP-s4-prod191,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCN(C)C)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11085'],['1.380'],no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1912,4.1,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-20,PHIP-s4-prod192,CN(C)CCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11086'],[''],no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1913,4.1,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-20,PHIP-s4-prod193,CN(C)CCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11087'],['1.44'],no,,,,,,,AM-03,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1914,4.1,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-20,PHIP-s4-prod194,CN(C)CCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11088'],[''],no,,,,,,,AM-04,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1915,4.1,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-20,PHIP-s4-prod195,Cc1ccc(CN(C)C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)CCN(C)C)o3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11089'],['2.11'],no,,,,,,,AM-05,CC1=CC=C(CNC)O1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1916,4.1,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-20,PHIP-s4-prod196,Cc1cc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)CCN(C)C)o3)CC2)no1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11090'],['1.22'],no,,,,,,,AM-06,NC1=NOC(C)=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1917,4.1,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-20,PHIP-s4-prod197,CN(C)CCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC3CCCO3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['Data processing fail'],['PHIPA-x11091'],[''],no,,,,,,,AM-07,NCC1OCCC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1918,4.1,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-20,PHIP-s4-prod198,C=CCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCN(C)C)o2)CC1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11092'],['1.28'],no,,,,,,,AM-08,C=CCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1919,4.1,it4.2_AM-09_Imid-01_SO2Cl-01_AM-SO2Cl-20,PHIP-s4-prod199,CN(C)CCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCCO)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11093'],['1.31'],no,,,,,,,AM-09,OCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1920,4.1,it4.2_AM-10_Imid-01_SO2Cl-01_AM-SO2Cl-20,PHIP-s4-prod200,CN(C)CCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)o1,On one side a merge between two fragments linked by a sulphonamide. On the other side urea exploration,Iteration 4.1,,,0%,fail,,,['success'],['PHIPA-x11094'],['1.51'],no,,,,,,,AM-10,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,,,,,fail,,,,
1921,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-01,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-01,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCOC)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,417,not calculated,success,weak UV and messy ELSD - mass TIC good,,"['success', 'success']","['PHIPA-x11984', 'PHIPA-x12109']","['1.09', '1.53']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1922,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-02,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-02,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,415,not calculated,success,weak two peaks - elsd useless,,"['success', 'success']","['PHIPA-x11985', 'PHIPA-x12110']","['1.09', '1.15']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1923,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-03,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-03,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,441,not calculated,success,few peak and weak,,"['success', 'success']","['PHIPA-x11986', 'PHIPA-x12111']","['1.58', '1.09']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1924,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-04,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-04,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,455,not calculated,success,good,,"['success', 'success', 'success']","['PHIPA-x11987', 'PHIPA-x12112', 'PHIPA-x12435']","['1.09', '1.65', '1.14']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1925,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-05,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-05,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccc(C)o3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,469,not calculated,success,neg shows sm mass instead of product. Both might be with same rt,,"['success', 'success']","['PHIPA-x11988', 'PHIPA-x12113']","['1.09', '1.22']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1926,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-06,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-06,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cc(C)on3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,440,not calculated,success,weak hard to find,,"['success', 'success']","['PHIPA-x11989', 'PHIPA-x12114']","['1.09', '1.21']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1927,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-07,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-07,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,445,not calculated,success,ok,,"['success', 'success']","['PHIPA-x11990', 'PHIPA-x12115']","['1.09', '1.55']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1928,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-08,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-08,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
1929,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-09,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-09,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,452,not calculated,success,weak UV and messy ELSD - mass TIC ok,,"['Data processing fail', 'success', 'success']","['PHIPA-x11991', 'PHIPA-x12116', 'PHIPA-x12444']","['', '1.27', '1.70']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1930,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-10,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-10,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCCOC)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,398 - 399,not calculated,success,weak UV - elsd rubbish,,"['success', 'success']","['PHIPA-x11992', 'PHIPA-x12117']","['1.36', '1.2']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1931,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-11,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-11,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,427,not calculated,success,good,,"['success', 'success']","['PHIPA-x11993', 'PHIPA-x12118']","['1.16', '1.14']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1932,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-12,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-12,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,401,not calculated,success,ok elsd fail,,"['success', 'success']","['PHIPA-x11994', 'PHIPA-x12119']","['1.26', '1.09']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1933,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-13,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-13,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,446,not calculated,success,Minor peak - SM major in neg,,"['success', 'success']","['PHIPA-x11995', 'PHIPA-x12120']","['1.45', '1.09']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1934,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-14,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-14,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
1935,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-15,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-15,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
1936,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-16,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-16,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,473,not calculated,success,good,,"['success', 'success']","['PHIPA-x11996', 'PHIPA-x12121']","['1.31', '1.11']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1937,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-17,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-17,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC(C)C)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,431,not calculated,success,2 UV peak and weak ELSD - mass TIC ok,,"['success', 'success']","['PHIPA-x11997', 'PHIPA-x12122']","['1.09', '1.23']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1938,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-18,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-18,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,451,not calculated,success,uv peak and nice mas peaks - elsd shocking,,"['success', 'success']","['PHIPA-x11998', 'PHIPA-x12123']","['1.18', '1.25']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1939,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-19,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-19,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
1940,4.2,it4.2_AM-01_Imid-01_SO2Cl-01_AM-SO2Cl-20,AM-01-Imid-01-SO2Cl-01-AM-SO2Cl-20,COCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCN(C)C)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,446,not calculated,success,weak but maybe - straight out and pos only,,"['success', 'success']","['PHIPA-x11999', 'PHIPA-x12124']","['1.19', '1.09']",no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1941,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-01,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-01,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,415,not calculated,success,UV peak elsd too weak,,"['success', 'success']","['PHIPA-x12000', 'PHIPA-x12125']","['1.17', '1.19']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1942,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-02,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-02,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,409,not calculated,success,UV peak small with another peak - elsd useless,,"['success', 'success']","['PHIPA-x12001', 'PHIPA-x12126']","['1.2', '1.2']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1943,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-03,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-03,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,437,not calculated,success,UV ok elsd messy,,"['success', 'success', 'success']","['PHIPA-x12002', 'PHIPA-x12127', 'PHIPA-x12438']","['1.09', '1.63', '1.15']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1944,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-04,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-04,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,453,not calculated,success,SM major peak,,"['success', 'success', 'success']","['PHIPA-x12003', 'PHIPA-x12128', 'PHIPA-x12440']","['1.09', '1.62', '1.12']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1945,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-05,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-05,Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC4CC4)CC3)o2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,487,not calculated,success,"Only SM in Neg and M+Na in pos, small UV",,"['success', 'success']","['PHIPA-x12004', 'PHIPA-x12129']","['1.09', '1.25']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1946,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-06,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-06,Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC4CC4)CC3)o2)no1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,436,not calculated,success,trace,,"['success', 'success']","['PHIPA-x12005', 'PHIPA-x12130']","['1.09', '1.17']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1947,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-07,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-07,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,441,not calculated,success,good,,"['success', 'success']","['PHIPA-x12006', 'PHIPA-x12131']","['1.09', '1.11']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1948,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-08,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-08,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,401,not calculated,success,weak,,"['success', 'success']","['PHIPA-x12007', 'PHIPA-x12132']","['1.09', '1.22']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1949,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-09,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-09,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,448,not calculated,success,weak but there,,"['success', 'success']","['PHIPA-x12008', 'PHIPA-x12133']","['1.09', '1.22']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
1950,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-10,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-10,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,393,not calculated,success,ok elsd rubbish,,"['success', 'success']","['PHIPA-x12009', 'PHIPA-x12134']","['1.09', '1.09']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1951,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-11,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-11,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,423,not calculated,success,weak but there,,"['success', 'success']","['PHIPA-x12010', 'PHIPA-x12135']","['1.09', '1.13']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1952,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-12,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-12,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,397,not calculated,success,good - weak elsd,,"['success', 'success']","['PHIPA-x12011', 'PHIPA-x12136']","['1.13', '1.32']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1953,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-13,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-13,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,443,not calculated,success,sm major,,"['success', 'success']","['PHIPA-x12012', 'PHIPA-x12137']","['1.09', '1.25']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1954,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-14,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-14,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
1955,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-15,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-15,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
1956,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-16,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-16,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,469,not calculated,success,good,,"['success', 'success', 'success']","['PHIPA-x12013', 'PHIPA-x12138', 'PHIPA-x12431']","['1.24', '1.76', '1.38']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1957,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-17,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-17,CC(C)CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,427,not calculated,success,2 peaks but ok,,"['success', 'success']","['PHIPA-x12014', 'PHIPA-x12139']","['1.13', '1.2']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
1958,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-18,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-18,O=C(NCC1CC1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,445,not calculated,success,ok - elsd useless,,"['success', 'success']","['PHIPA-x12015', 'PHIPA-x12140']","['1.27', '1.2']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1959,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-19,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-19,CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC4CC4)CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
1960,4.2,it4.2_AM-02_Imid-01_SO2Cl-01_AM-SO2Cl-20,AM-02-Imid-01-SO2Cl-01-AM-SO2Cl-20,CN(C)CCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC3CC3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,442,not calculated,success,straight off - no elsd,,"['success', 'success']","['PHIPA-x12016', 'PHIPA-x12141']","['1.21', '1.09']",no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1961,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-01,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-01,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,455,not calculated,success,weak - 3 peaks,,"['success', 'success']","['PHIPA-x12017', 'PHIPA-x12142']","['1.27', '1.09']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
1962,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-02,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-02,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,452,not calculated,success,weak 3 uv peak some acid left,,"['success', 'success']","['PHIPA-x12018', 'PHIPA-x12143']","['1.09', '1.47']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
1963,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-03,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-03,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,479,not calculated,success,very weak,,"['success', 'success']","['PHIPA-x12019', 'PHIPA-x12144']","['1.09', '1.36']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1390.15,66.61,1.33,18.24,0,957.23,3.91,0.2,3-Kd high confidence,,,,success,,3-Kd high confidence,,
1964,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-04,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-04,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,493,not calculated,success,SM major peak,,"['success', 'success']","['PHIPA-x12020', 'PHIPA-x12145']","['1.09', '1.16']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,229.49,205.14,0.72,19.4,0,3154.51,20.69,0.77,2-Kd low confidence,,,,success,,2-Kd low confidence,,
1965,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-05,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-05,Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCc4cccs4)CC3)o2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,507,not calculated,success,SM major peak,,"['success', 'success']","['PHIPA-x12021', 'PHIPA-x12146']","['1.12', '1.23']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,437.79,293.06,0.58,70.8,0,1316.65,4.34,0.77,2-Kd low confidence,,,,success,,2-Kd low confidence,,
1966,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-06,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-06,Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCc4cccs4)CC3)o2)no1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,478,not calculated,success,ok,,"['success', 'success']","['PHIPA-x12022', 'PHIPA-x12147']","['1.09', '1.45']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1179.17,36.01,0.73,13.51,0,618.51,5.96,0.23,3-Kd high confidence,,,,success,,3-Kd high confidence,,
1967,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-07,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-07,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,481,not calculated,success,multiple peaks,,"['success', 'success']","['PHIPA-x12023', 'PHIPA-x12148']","['1.38', '1.43']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1124.69,31,0.74,10.88,0,658.81,11.24,0.29,3-Kd high confidence,,,,success,,3-Kd high confidence,,
1968,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-08,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-08,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,441,not calculated,success,weak,,"['success', 'success']","['PHIPA-x12024', 'PHIPA-x12149']","['1.09', '1.25']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1065.48,66.35,0.48,39.84,0,449.26,3.26,0.27,3-Kd high confidence,,,,success,,3-Kd high confidence,,
1969,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-09,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-09,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,490,not calculated,success,weak,,"['Data processing fail', 'success', 'success']","['PHIPA-x12025', 'PHIPA-x12150', 'PHIPA-x12445']","['', '1.23', '1.09']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
1970,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-10,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-10,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,435-436,not calculated,success,ok - elsd weak,,"['success', 'success']","['PHIPA-x12026', 'PHIPA-x12151']","['1.36', '1.55']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1667.78,51.53,1.3,15.65,0,782.44,1.11,0.17,2-Kd low confidence,,,,success,,2-Kd low confidence,,
1971,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-11,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-11,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,465,not calculated,success,2 peaks - major,,"['success', 'success', 'success']","['PHIPA-x12027', 'PHIPA-x12152', 'PHIPA-x12426']","['1.09', '1.92', '1.4']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1324.57,117.55,0.66,58.47,0,494.8,0.81,0.37,2-Kd low confidence,,,,success,,2-Kd low confidence,,
1972,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-12,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-12,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,437,not calculated,success,ok weak,,"['success', 'success']","['PHIPA-x12028', 'PHIPA-x12153']","['1.1', '1.36']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1608.56,74.75,0.23,69.94,0,143.35,1.33,0.24,2-Kd low confidence,,,,success,,2-Kd low confidence,,
1973,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-13,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-13,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,485,not calculated,success,pos ok neg cant find,,"['success', 'success']","['PHIPA-x12029', 'PHIPA-x12154']","['1.15', '1.57']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,574.39,247.54,0.85,45.78,0,1476.24,1.37,0.31,2-Kd low confidence,,,,success,,2-Kd low confidence,,
1974,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-14,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-14,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,fail,,1-binding,,
1975,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-15,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-15,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,fail,,1-binding,,
1976,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-16,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-16,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,509,not calculated,success,good,,"['success', 'success']","['PHIPA-x12030', 'PHIPA-x12155']","['1.22', '1.09']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1977,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-17,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-17,CC(C)CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,467,not calculated,success,Amazing,,"['success', 'success']","['PHIPA-x12031', 'PHIPA-x12156']","['1.2', '1.14']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
1978,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-18,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-18,O=C(NCc1cccs1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,487 - 488,not calculated,success,ok. small elsd as well,,"['success', 'success']","['PHIPA-x12032', 'PHIPA-x12157']","['1.12', '1.09']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1979,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-19,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-19,CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCc4cccs4)CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
1980,4.2,it4.2_AM-03_Imid-01_SO2Cl-01_AM-SO2Cl-20,AM-03-Imid-01-SO2Cl-01-AM-SO2Cl-20,CN(C)CCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,484,not calculated,success,weak - elsd and uv,,"['success', 'success']","['PHIPA-x12033', 'PHIPA-x12158']","['1.17', '1.23']",no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1981,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-01,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-01,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,443,not calculated,success,elsd shite,,"['success', 'success']","['PHIPA-x12034', 'PHIPA-x12159']","['1.14', '1.24']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1982,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-02,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-02,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,437,not calculated,success,ok - three peaks,,"['success', 'success']","['PHIPA-x12035', 'PHIPA-x12160']","['1.09', '1.28']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1983,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-03,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-03,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,465,not calculated,success,ok weak elsd,,"['success', 'success']","['PHIPA-x12036', 'PHIPA-x12161']","['1.09', '1.50']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1984,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-04,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-04,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,479,not calculated,success,SM major,,"['success', 'success']","['PHIPA-x12037', 'PHIPA-x12162']","['1.09', '1.15']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1985,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-05,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-05,Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC(F)(F)F)CC3)o2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
1986,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-06,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-06,Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC(F)(F)F)CC3)o2)no1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
1987,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-07,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-07,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,467,not calculated,success,three peaks,,"['success', 'success']","['PHIPA-x12038', 'PHIPA-x12163']","['1.09', '1.16']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1988,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-08,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-08,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,427,not calculated,success,trace,,"['success', 'success']","['PHIPA-x12039', 'PHIPA-x12164']","['1.2', '1.19']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1989,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-09,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-09,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,,not calculated,fail,Run failure?,,"['success', 'success']","['PHIPA-x12040', 'PHIPA-x12165']","['1.09', '1.23']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,fail,,1-binding,,
1990,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-10,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-10,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,421,not calculated,success,weird run - but could detect mass and UV ok - elsd rubbish,,"['success', 'success']","['PHIPA-x12041', 'PHIPA-x12166']","['1.09', '1.26']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1991,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-11,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-11,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,451,not calculated,success,acid left (major),,"['success', 'success']","['PHIPA-x12042', 'PHIPA-x12167']","['1.17', '1.09']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1992,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-12,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-12,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,423,not calculated,success,ok - weak,,"['success', 'success']","['PHIPA-x12043', 'PHIPA-x12168']","['1.24', '1.49']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1993,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-13,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-13,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,471,not calculated,success,SM major,,"['success', 'success']","['PHIPA-x12044', 'PHIPA-x12169']","['1.2', '1.31']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1994,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-14,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-14,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
1995,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-15,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-15,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
1996,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-16,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-16,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,497,not calculated,success,amazing,,"['success', 'success']","['PHIPA-x12045', 'PHIPA-x12170']","['1.09', '1.13']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
1997,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-17,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-17,CC(C)CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,455,not calculated,success,2 peaks. Elsd rubbish,,"['success', 'success', 'success']","['PHIPA-x12046', 'PHIPA-x12171', 'PHIPA-x12437']","['1.09', '1.63', '1.45']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
1998,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-18,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-18,O=C(NCC(F)(F)F)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,473,not calculated,success,ok - weird run,,"['success', 'success', 'success']","['PHIPA-x12047', 'PHIPA-x12172', 'PHIPA-x12436']","['1.09', '1.63', '1.14']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
1999,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-19,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-19,CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCC(F)(F)F)CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,532,not calculated,success,UV fail,,"['success', 'success']","['PHIPA-x12048', 'PHIPA-x12173']","['1.09', '1.15']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2000,4.2,it4.2_AM-04_Imid-01_SO2Cl-01_AM-SO2Cl-20,AM-04-Imid-01-SO2Cl-01-AM-SO2Cl-20,CN(C)CCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,470,not calculated,success,Stratight off. Hard to isolate mass peak in TIC,,"['success', 'success']","['PHIPA-x12049', 'PHIPA-x12174']","['1.53', '1.21']",no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2001,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-01,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-01,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,452,not calculated,success,traces,,"['success', 'success']","['PHIPA-x12050', 'PHIPA-x12175']","['1.21', '1.43']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2002,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-02,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-02,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,448,not calculated,success,trace?,,"['success', 'success']","['PHIPA-x12051', 'PHIPA-x12176']","['1.09', '1.15']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2003,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-03,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-03,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,476,not calculated,success,straight off - unsure,,"['success', 'success']","['PHIPA-x12052', 'PHIPA-x12177']","['1.09', '1.17']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2004,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-04,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-04,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,490,not calculated,success,straight off - unsure,,"['success', 'success']","['PHIPA-x12053', 'PHIPA-x12178']","['1.28', '1.41']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2005,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-05,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-05,Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCc4cccnc4)CC3)o2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,501,not calculated,success,SM major,,"['success', 'success', 'success']","['PHIPA-x12054', 'PHIPA-x12179', 'PHIPA-x12434']","['1.66', '1.16', '2.66']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2006,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-06,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-06,Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCc4cccnc4)CC3)o2)no1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,3236.01,59.77,0,43639109.57,0,,0.23,0.26,0-no binding,,,,fail,,0-no binding,,
2007,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-07,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-07,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,476,not calculated,success,weak,,"['success', 'success', 'success']","['PHIPA-x12055', 'PHIPA-x12180', 'PHIPA-x12441']","['1.62', '1.39', '1.75']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2008,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-08,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-08,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,fail,,1-binding,,
2009,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-09,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-09,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,485,not calculated,success,trace?,,"['success', 'success']","['PHIPA-x12056', 'PHIPA-x12181']","['1.09', '1.09']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2010,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-10,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-10,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,432,not calculated,success,trace?,,"['success', 'success']","['PHIPA-x12057', 'PHIPA-x12182']","['1.09', '1.09']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2011,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-11,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-11,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,460,not calculated,success,SM major,,"['success', 'success']","['PHIPA-x12058', 'PHIPA-x12183']","['1.11', '1.42']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2012,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-12,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-12,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,434,not calculated,success,straight off - unsure,,"['success', 'success']","['PHIPA-x12059', 'PHIPA-x12184']","['1.37', '1.43']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2013,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-13,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-13,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,480,not calculated,success,straight off - unsure,,"['success', 'success']","['PHIPA-x12060', 'PHIPA-x12185']","['1.09', '1.09']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2014,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-14,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-14,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
2015,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-15,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-15,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,fail,,1-binding,,
2016,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-16,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-16,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,504,not calculated,success,weak,,"['success', 'success', 'success']","['PHIPA-x12061', 'PHIPA-x12186', 'PHIPA-x12433']","['1.68', '1.19', '1.47']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2017,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-17,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-17,CC(C)CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,464,not calculated,success,SM major,,"['success', 'success']","['PHIPA-x12062', 'PHIPA-x12187']","['1.09', '1.39']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2018,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-18,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-18,O=C(NCc1cccnc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,484,not calculated,success,major,,"['success', 'success']","['PHIPA-x12063', 'PHIPA-x12188']","['1.09', '1.18']",no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2019,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-19,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-19,CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NCc4cccnc4)CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
2020,4.2,it4.2_AM-05_Imid-01_SO2Cl-01_AM-SO2Cl-20,AM-05-Imid-01-SO2Cl-01-AM-SO2Cl-20,CN(C)CCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCc3cccnc3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-05,NCC1=CC=CN=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
2021,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-01,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-01,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,467,not calculated,success,messy many peaks,,"['success', 'success', 'success']","['PHIPA-x12064', 'PHIPA-x12189', 'PHIPA-x12443']","['1.46', '1.60', '1.36']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,0.00057867,578.67,0.13,0.507,2-Kd low confidence,Heterogenous ligand,,,success,,2-Kd low confidence,,
2022,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-02,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-02,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCC4CC4)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,463,not calculated,success,small peaks,,"['success', 'success']","['PHIPA-x12065', 'PHIPA-x12190']","['1.27', '1.3']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,779,,0.404,2-Kd low confidence,Heterogenous ligand,,,success,,2-Kd low confidence,,
2023,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-03,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-03,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCC(F)(F)F)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,490,not calculated,success,3 peaks,,"['success', 'success']","['PHIPA-x12066', 'PHIPA-x12191']","['1.39', '1.44']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2024,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-04,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-04,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCc4cccs4)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,505,not calculated,success,ok,,"['success', 'success']","['PHIPA-x12067', 'PHIPA-x12192']","['1.19', '1.09']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1630,340,,,,225.63,0.36,0.505,2-Kd low confidence,,,,success,,2-Kd low confidence,,
2025,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-05,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-05,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccc(C)o4)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,fail,,1-binding,,
2026,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-06,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-06,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4cc(C)on4)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,489,not calculated,success,small peak and neg only,,"['success', 'success', 'success']","['PHIPA-x12068', 'PHIPA-x12193', 'PHIPA-x12423']","['1.09', '2.12', '1.4']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2027,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-07,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-07,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCC4CCCO4)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,493,not calculated,success,ok,,"['success', 'success']","['PHIPA-x12069', 'PHIPA-x12194']","['1.09', '1.14']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2028,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-08,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-08,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCCO)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,fail,,1-binding,,
2029,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-09,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-09,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCc4cccnc4)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,498,not calculated,success,messy,,"['success', 'success']","['PHIPA-x12070', 'PHIPA-x12195']","['1.13', '1.22']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2030,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-10,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-10,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,445,not calculated,success,small,,"['success', 'success']","['PHIPA-x12071', 'PHIPA-x12196']","['1.19', '1.09']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2031,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-11,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-11,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NC4CCCC4)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,477,not calculated,success,,,"['success', 'success', 'success']","['PHIPA-x12072', 'PHIPA-x12197', 'PHIPA-x12442']","['1.46', '1.61', '1.36']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2032,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-12,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-12,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,447,not calculated,success,neg better weak uv,,"['success', 'success', 'success']","['PHIPA-x12073', 'PHIPA-x12198', 'PHIPA-x12422']","['1.09', '2.54', '1.18']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1093.07631,281.2738832,0.452695449,163.0751704,0.000414148,414.1480744,0.781649774,0.73240643,2-Kd low confidence,,,,success,,2-Kd low confidence,,
2033,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-13,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-13,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCSCC4)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,493,not calculated,success,neg better to identify - 2 peaks together SM comes first and minor peak,,"['success', 'success']","['PHIPA-x12074', 'PHIPA-x12199']","['1.26', '1.48']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2034,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-14,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-14,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ncco4)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
2035,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-15,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-15,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ncccn4)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
2036,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-16,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-16,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccc(F)cc4F)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,521,not calculated,success,small peak,,"['success', 'success']","['PHIPA-x12075', 'PHIPA-x12200']","['1.2', '1.27']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2037,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-17,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-17,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC(C)C)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,479,not calculated,success,trace,,"['success', 'success']","['PHIPA-x12076', 'PHIPA-x12201']","['1.36', '1.09']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2038,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-18,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-18,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCc4ccccc4)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,497,not calculated,success,ok small peak,,"['success', 'success']","['PHIPA-x12077', 'PHIPA-x12202']","['1.09', '1.55']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2039,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-19,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-19,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCN(S(C)(=O)=O)CC4)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,555,not calculated,success,maybe - nothing on positive,,"['success', 'success', 'success']","['PHIPA-x12078', 'PHIPA-x12203', 'PHIPA-x12430']","['1.76', '1.24', '1.1']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2040,4.2,it4.2_AM-06_Imid-01_SO2Cl-01_AM-SO2Cl-20,AM-06-Imid-01-SO2Cl-01-AM-SO2Cl-20,COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)CCN(C)C)o3)CC2)cc1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,493,not calculated,success,weak for all,,"['success', 'success']","['PHIPA-x12079', 'PHIPA-x12204']","['1.15', '1.20']",no,,,,,,,AM-06,NC1=CC=C(OC)C=C1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1575,94.37219428,0.349980994,75.44812481,0.000222157,222.157,0.66,0.249715153,2-Kd low confidence,,,,success,,2-Kd low confidence,,
2041,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-01,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-01,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCOC)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,417,not calculated,success,ok,,"['success', 'success', 'success']","['PHIPA-x12080', 'PHIPA-x12205', 'PHIPA-x12429']","['1.78', '1.18', '1.47']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1971.991915,564.5934391,1.724883297,182.4247499,0.000874691,874.6908565,0.25,0.24642223,2-Kd low confidence,,,,success,,2-Kd low confidence,,
2042,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-02,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-02,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,413,not calculated,success,ok,,"['success', 'success']","['PHIPA-x12081', 'PHIPA-x12206']","['1.09', '1.09']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2043,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-03,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-03,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,441,not calculated,success,ok,,"['success', 'success']","['PHIPA-x12082', 'PHIPA-x12207']","['1.09', '1.09']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2044,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-04,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-04,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,455,not calculated,success,good - SM there too,,"['success', 'success']","['PHIPA-x12083', 'PHIPA-x12208']","['1.49', '1.21']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2045,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-05,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-05,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccc(C)o3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,489,not calculated,success,M+Na only,,"['success', 'success']","['PHIPA-x12084', 'PHIPA-x12209']","['1.38', '1.28']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2046,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-06,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-06,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cc(C)on3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,440,not calculated,success,weak for all,,"['success', 'success', 'success']","['PHIPA-x12085', 'PHIPA-x12210', 'PHIPA-x12432']","['1.09', '1.68', '1.26']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2047,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-07,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-07,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,443,not calculated,success,good - SM there too,,"['success', 'success']","['PHIPA-x12086', 'PHIPA-x12211']","['1.13', '1.22']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2048,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-08,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-08,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,401,not calculated,success,weak,,"['success', 'success']","['PHIPA-x12087', 'PHIPA-x12212']","['1.09', '1.29']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2049,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-09,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-09,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,448,not calculated,success,ok,,"['success', 'success']","['PHIPA-x12088', 'PHIPA-x12213']","['1.09', '1.2']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1953,310,1.69,100,,866.15,1.05,1.01,2-Kd low confidence,,,,success,,2-Kd low confidence,,
2050,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-10,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-10,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NCCCC)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,397,not calculated,success,ok,,"['success', 'success', 'success']","['PHIPA-x12089', 'PHIPA-x12214', 'PHIPA-x12428']","['1.11', '1.78', '1.53']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2051,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-11,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-11,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,427,not calculated,success,ok 50/50 sm/product,,"['success', 'success']","['PHIPA-x12090', 'PHIPA-x12215']","['1.28', '1.52']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2052,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-12,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-12,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,399,not calculated,success,main peak although elsd bad,,"['success', 'success', 'success']","['PHIPA-x12091', 'PHIPA-x12216', 'PHIPA-x12424']","['1.09', '1.99', '1.32']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,4518,81,0.6,53,,132.26,0.46,0.342,2-Kd low confidence,,,,success,,2-Kd low confidence,,
2053,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-13,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-13,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,445,not calculated,success,ok 50/50 sm/product,,"['success', 'success']","['PHIPA-x12092', 'PHIPA-x12217']","['1.31', '1.38']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,6967.05,65.95,0.33,66.92,0,47.57,1.13,0.23,2-Kd low confidence,,,,success,,2-Kd low confidence,,
2054,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-14,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-14,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
2055,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-15,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-15,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
2056,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-16,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-16,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,471,not calculated,success,major peak good,,"['success', 'success']","['PHIPA-x12093', 'PHIPA-x12218']","['1.22', '1.14']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1944,1400,1.8,340,,953,0,1.146,2-Kd low confidence,,,,success,,2-Kd low confidence,,
2057,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-17,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-17,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC(C)C)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,429,not calculated,success,minor peak,,"['success', 'success']","['PHIPA-x12094', 'PHIPA-x12219']","['1.16', '1.12']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1972,1200,1.9,510,,980,0,1.65,2-Kd low confidence,,,,success,,2-Kd low confidence,,
2058,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-18,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-18,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,447,not calculated,success,SM major,,"['success', 'success']","['PHIPA-x12095', 'PHIPA-x12220']","['1.16', '1.12']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2059,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-19,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-19,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,506,not calculated,success,No UV/elsd,,"['success', 'success']","['PHIPA-x12096', 'PHIPA-x12221']","['1.2', '1.26']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2060,4.2,it4.2_AM-07_Imid-01_SO2Cl-01_AM-SO2Cl-20,AM-07-Imid-01-SO2Cl-01-AM-SO2Cl-20,CCCCNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCN(C)C)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,Iteration 4.2,,444,not calculated,success,weak uv inexistant elsd,,"['success', 'success']","['PHIPA-x12097', 'PHIPA-x12222']","['1.09', '1.12']",no,,,,,,,AM-07,CCCCN,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2061,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-01,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-01,COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NC(C)C)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,403,not calculated,success,ok,,"['success', 'success']","['PHIPA-x12098', 'PHIPA-x12223']","['1.09', '1.12']",no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1943,970,1.9,470,,979,0,1.33,2-Kd low confidence,,,,success,,2-Kd low confidence,,
2062,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-02,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-02,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,399,not calculated,success,SM major,,"['success', 'success']","['PHIPA-x12099', 'PHIPA-x12224']","['1.17', '1.09']",no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2063,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-03,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-03,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,425,not calculated,success,weak,,"['success', 'success']","['PHIPA-x12100', 'PHIPA-x12225']","['1.09', '1.39']",no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2064,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-04,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-04,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,439,not calculated,success,minor peak SM is major,,"['success', 'success']","['PHIPA-x12101', 'PHIPA-x12226']","['1.43', '1.21']",no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2065,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-05,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-05,Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NC(C)C)CC3)o2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,no,not calculated,fail,SM only,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
2066,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-06,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-06,Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)NC(C)C)CC3)o2)no1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
2067,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-07,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-07,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,429,not calculated,success,ok with SM,,"['success', 'success', 'success']","['PHIPA-x12102', 'PHIPA-x12227', 'PHIPA-x12439']","['1.09', '1.63', '1.64']",no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2068,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-08,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-08,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCO)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1958,710,1.7,190,,879,0,0.499,2-Kd low confidence,,,,fail,,2-Kd low confidence,,
2069,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-09,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-09,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1959,1400,1.98,570,,1009,0,1.054,2-Kd low confidence,,,,fail,,2-Kd low confidence,,
2070,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-10,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-10,C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NC(C)C)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
2071,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-11,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-11,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,413,not calculated,success,main peak,,"['success', 'success', 'success']","['PHIPA-x12103', 'PHIPA-x12228', 'PHIPA-x12427']","['1.85', '1.42', '1.81']",no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2072,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-12,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-12,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,385,not calculated,success,ok main peak amongst 3-4 on uv,,"['success', 'success']","['PHIPA-x12104', 'PHIPA-x12229']","['1.09', '1.19']",no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,success,,1-binding,,
2073,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-13,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-13,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCSCC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,431,not calculated,success,minor peak SM is big major,,"['success', 'success', 'success']","['PHIPA-x12105', 'PHIPA-x12230', 'PHIPA-x12425']","['1.15', '1.98', '1.36']",no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,success,,0-no binding,,
2074,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-14,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-14,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncco3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
2075,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-15,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-15,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ncccn3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,0-no binding,,,,fail,,0-no binding,,
2076,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-16,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-16,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,457,not calculated,success,many peaks/ minor one,,"['success', 'success']","['PHIPA-x12106', 'PHIPA-x12231']","['1.09', '1.16']",no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1942,840,1.7,310,,892,0,1.112,2-Kd low confidence,,,,success,,2-Kd low confidence,,
2077,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-17,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-17,CC(C)CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NC(C)C)CC2)o1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,415,not calculated,success,weak,,['success'],['PHIPA-x12107'],['1.16'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1920,910,1.9,360,,970,0,0.77,2-Kd low confidence,,,,success,,2-Kd low confidence,,
2078,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-18,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-18,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,433,not calculated,success,very weak,,['success'],['PHIPA-x12108'],['1.09'],no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1935,300,1.6,100,,834,1.73,0.984,2-Kd low confidence,,,,success,,2-Kd low confidence,,
2079,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-19,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-19,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,1939,720,1.5,180,,765,0.2,0.494,2-Kd low confidence,,,,fail,,2-Kd low confidence,,
2080,4.2,it4.2_AM-08_Imid-01_SO2Cl-01_AM-SO2Cl-20,AM-08-Imid-01-SO2Cl-01-AM-SO2Cl-20,CC(C)NC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCN(C)C)o2)CC1,similar to 4.1 - merges of two fragments linked by a sulfonamide group. selected groups in urea and sulphonamide side and reaction sequence revisited,,,no,not calculated,fail,,,NR,not soaked,NR,no,,,,,,,AM-08,CC(N)C,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],SO2Cl-01,O=C(OC)C1=CC=C(S(=O)(Cl)=O)O1,,,,,,,,,1-binding,,,,fail,,1-binding,,
2081,5.1,it5.1_AM-01_Imid-01_BA-01,AM-01-Imid-01-BA-01,COCCNC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-01,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2082,5.1,it5.1_AM-01_Imid-01_BA-02,AM-01-Imid-01-BA-02,COCCNC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-02,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2083,5.1,it5.1_AM-01_Imid-01_BA-03,AM-01-Imid-01-BA-03,COCCNC(=O)N1CCN(c2ccc(Cl)cc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-03,OB(O)C1=CC=C(Cl)C=C1,,,,,,,,,,,,,fail,,,,
2084,5.1,it5.1_AM-01_Imid-01_BA-04,AM-01-Imid-01-BA-04,COCCNC(=O)N1CCN(c2ccncc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-04,OB(O)C1=CC=NC=C1,,,,,,,,,,,,,fail,,,,
2085,5.1,it5.1_AM-01_Imid-01_BA-05,AM-01-Imid-01-BA-05,COCCNC(=O)N1CCN(c2cccs2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-05,OB(O)C1=CC=CS1,,,,,,,,,,,,,fail,,,,
2086,5.1,it5.1_AM-01_Imid-01_BA-06,AM-01-Imid-01-BA-06,COCCNC(=O)N1CCN(c2cccnc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-06,OB(O)C1=CC=CN=C1,,,,,,,,,,,,,fail,,,,
2087,5.1,it5.1_AM-01_Imid-01_BA-07,AM-01-Imid-01-BA-07,COCCNC(=O)N1CCN(c2ccc(F)cc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-07,OB(O)C1=CC=C(F)C=C1,,,,,,,,,,,,,fail,,,,
2088,5.1,it5.1_AM-01_Imid-01_BA-08,AM-01-Imid-01-BA-08,COCCNC(=O)N1CCN(c2cccc(C(N)=O)c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-08,OB(O)C1=CC=CC(C(N)=O)=C1,,,,,,,,,,,,,fail,,,,
2089,5.1,it5.1_AM-01_Imid-01_BA-09,AM-01-Imid-01-BA-09,COCCNC(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-09,OB(O)C1=CC=C(NC=C2)C2=C1,,,,,,,,,,,,,fail,,,,
2090,5.1,it5.1_AM-01_Imid-01_BA-10,AM-01-Imid-01-BA-10,COCCNC(=O)N1CCN(c2cccc(O)c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-10,OB(O)C1=CC=CC(O)=C1,,,,,,,,,,,,,fail,,,,
2091,5.1,it5.1_AM-01_Imid-01_BA-11,AM-01-Imid-01-BA-11,COCCNC(=O)N1CCN(c2cncnc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-11,OB(O)C1=CN=CN=C1,,,,,,,,,,,,,fail,,,,
2092,5.1,it5.1_AM-01_Imid-01_BA-12,AM-01-Imid-01-BA-12,COCCNC(=O)N1CCN(c2cccc(OC(F)(F)F)c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-12,OB(O)C1=CC=CC(OC(F)(F)F)=C1,,,,,,,,,,,,,fail,,,,
2093,5.1,it5.1_AM-01_Imid-01_BA-13,AM-01-Imid-01-BA-13,COCCNC(=O)N1CCN(c2cc(OC)cc(OC)c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-13,OB(O)C1=CC(OC)=CC(OC)=C1,,,,,,,,,,,,,fail,,,,
2094,5.1,it5.1_AM-01_Imid-01_BA-14,AM-01-Imid-01-BA-14,COCCNC(=O)N1CCN(c2cccc(C(=O)OC)c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-01,NCCOC,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-14,OB(O)C1=CC=CC(C(OC)=O)=C1,,,,,,,,,,,,,fail,,,,
2095,5.1,it5.1_AM-02_Imid-01_BA-01,AM-02-Imid-01-BA-01,O=C(NCC1CC1)N1CCN(c2ccc3c(c2)OCO3)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-01,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2096,5.1,it5.1_AM-02_Imid-01_BA-02,AM-02-Imid-01-BA-02,O=C(NCC1CC1)N1CCN(c2ccc3c(c2)OCO3)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-02,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2097,5.1,it5.1_AM-02_Imid-01_BA-03,AM-02-Imid-01-BA-03,O=C(NCC1CC1)N1CCN(c2ccc(Cl)cc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-03,OB(O)C1=CC=C(Cl)C=C1,,,,,,,,,,,,,fail,,,,
2098,5.1,it5.1_AM-02_Imid-01_BA-04,AM-02-Imid-01-BA-04,O=C(NCC1CC1)N1CCN(c2ccncc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-04,OB(O)C1=CC=NC=C1,,,,,,,,,,,,,fail,,,,
2099,5.1,it5.1_AM-02_Imid-01_BA-05,AM-02-Imid-01-BA-05,O=C(NCC1CC1)N1CCN(c2cccs2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-05,OB(O)C1=CC=CS1,,,,,,,,,,,,,fail,,,,
2100,5.1,it5.1_AM-02_Imid-01_BA-06,AM-02-Imid-01-BA-06,O=C(NCC1CC1)N1CCN(c2cccnc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-06,OB(O)C1=CC=CN=C1,,,,,,,,,,,,,fail,,,,
2101,5.1,it5.1_AM-02_Imid-01_BA-07,AM-02-Imid-01-BA-07,O=C(NCC1CC1)N1CCN(c2ccc(F)cc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-07,OB(O)C1=CC=C(F)C=C1,,,,,,,,,,,,,fail,,,,
2102,5.1,it5.1_AM-02_Imid-01_BA-08,AM-02-Imid-01-BA-08,NC(=O)c1cccc(N2CCN(C(=O)NCC3CC3)CC2)c1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-08,OB(O)C1=CC=CC(C(N)=O)=C1,,,,,,,,,,,,,fail,,,,
2103,5.1,it5.1_AM-02_Imid-01_BA-09,AM-02-Imid-01-BA-09,O=C(NCC1CC1)N1CCN(c2ccc3[nH]ccc3c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-09,OB(O)C1=CC=C(NC=C2)C2=C1,,,,,,,,,,,,,fail,,,,
2104,5.1,it5.1_AM-02_Imid-01_BA-10,AM-02-Imid-01-BA-10,O=C(NCC1CC1)N1CCN(c2cccc(O)c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-10,OB(O)C1=CC=CC(O)=C1,,,,,,,,,,,,,fail,,,,
2105,5.1,it5.1_AM-02_Imid-01_BA-11,AM-02-Imid-01-BA-11,O=C(NCC1CC1)N1CCN(c2cncnc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-11,OB(O)C1=CN=CN=C1,,,,,,,,,,,,,fail,,,,
2106,5.1,it5.1_AM-02_Imid-01_BA-12,AM-02-Imid-01-BA-12,O=C(NCC1CC1)N1CCN(c2cccc(OC(F)(F)F)c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-12,OB(O)C1=CC=CC(OC(F)(F)F)=C1,,,,,,,,,,,,,fail,,,,
2107,5.1,it5.1_AM-02_Imid-01_BA-13,AM-02-Imid-01-BA-13,COc1cc(OC)cc(N2CCN(C(=O)NCC3CC3)CC2)c1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-13,OB(O)C1=CC(OC)=CC(OC)=C1,,,,,,,,,,,,,fail,,,,
2108,5.1,it5.1_AM-02_Imid-01_BA-14,AM-02-Imid-01-BA-14,COC(=O)c1cccc(N2CCN(C(=O)NCC3CC3)CC2)c1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-02,NCC1CC1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-14,OB(O)C1=CC=CC(C(OC)=O)=C1,,,,,,,,,,,,,fail,,,,
2109,5.1,it5.1_AM-03_Imid-01_BA-01,AM-03-Imid-01-BA-01,O=C(NCc1cccs1)N1CCN(c2ccc3c(c2)OCO3)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-01,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2110,5.1,it5.1_AM-03_Imid-01_BA-02,AM-03-Imid-01-BA-02,O=C(NCc1cccs1)N1CCN(c2ccc3c(c2)OCO3)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-02,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2111,5.1,it5.1_AM-03_Imid-01_BA-03,AM-03-Imid-01-BA-03,O=C(NCc1cccs1)N1CCN(c2ccc(Cl)cc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-03,OB(O)C1=CC=C(Cl)C=C1,,,,,,,,,,,,,fail,,,,
2112,5.1,it5.1_AM-03_Imid-01_BA-04,AM-03-Imid-01-BA-04,O=C(NCc1cccs1)N1CCN(c2ccncc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-04,OB(O)C1=CC=NC=C1,,,,,,,,,,,,,fail,,,,
2113,5.1,it5.1_AM-03_Imid-01_BA-05,AM-03-Imid-01-BA-05,O=C(NCc1cccs1)N1CCN(c2cccs2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-05,OB(O)C1=CC=CS1,,,,,,,,,,,,,fail,,,,
2114,5.1,it5.1_AM-03_Imid-01_BA-06,AM-03-Imid-01-BA-06,O=C(NCc1cccs1)N1CCN(c2cccnc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-06,OB(O)C1=CC=CN=C1,,,,,,,,,,,,,fail,,,,
2115,5.1,it5.1_AM-03_Imid-01_BA-07,AM-03-Imid-01-BA-07,O=C(NCc1cccs1)N1CCN(c2ccc(F)cc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-07,OB(O)C1=CC=C(F)C=C1,,,,,,,,,,,,,fail,,,,
2116,5.1,it5.1_AM-03_Imid-01_BA-08,AM-03-Imid-01-BA-08,NC(=O)c1cccc(N2CCN(C(=O)NCc3cccs3)CC2)c1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-08,OB(O)C1=CC=CC(C(N)=O)=C1,,,,,,,,,,,,,fail,,,,
2117,5.1,it5.1_AM-03_Imid-01_BA-09,AM-03-Imid-01-BA-09,O=C(NCc1cccs1)N1CCN(c2ccc3[nH]ccc3c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-09,OB(O)C1=CC=C(NC=C2)C2=C1,,,,,,,,,,,,,fail,,,,
2118,5.1,it5.1_AM-03_Imid-01_BA-10,AM-03-Imid-01-BA-10,O=C(NCc1cccs1)N1CCN(c2cccc(O)c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-10,OB(O)C1=CC=CC(O)=C1,,,,,,,,,,,,,fail,,,,
2119,5.1,it5.1_AM-03_Imid-01_BA-11,AM-03-Imid-01-BA-11,O=C(NCc1cccs1)N1CCN(c2cncnc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-11,OB(O)C1=CN=CN=C1,,,,,,,,,,,,,fail,,,,
2120,5.1,it5.1_AM-03_Imid-01_BA-12,AM-03-Imid-01-BA-12,O=C(NCc1cccs1)N1CCN(c2cccc(OC(F)(F)F)c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-12,OB(O)C1=CC=CC(OC(F)(F)F)=C1,,,,,,,,,,,,,fail,,,,
2121,5.1,it5.1_AM-03_Imid-01_BA-13,AM-03-Imid-01-BA-13,COc1cc(OC)cc(N2CCN(C(=O)NCc3cccs3)CC2)c1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-13,OB(O)C1=CC(OC)=CC(OC)=C1,,,,,,,,,,,,,fail,,,,
2122,5.1,it5.1_AM-03_Imid-01_BA-14,AM-03-Imid-01-BA-14,COC(=O)c1cccc(N2CCN(C(=O)NCc3cccs3)CC2)c1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-03,NCC1=CC=CS1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-14,OB(O)C1=CC=CC(C(OC)=O)=C1,,,,,,,,,,,,,fail,,,,
2123,5.1,it5.1_AM-04_Imid-01_BA-01,AM-04-Imid-01-BA-01,O=C(NCC(F)(F)F)N1CCN(c2ccc3c(c2)OCO3)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-01,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2124,5.1,it5.1_AM-04_Imid-01_BA-02,AM-04-Imid-01-BA-02,O=C(NCC(F)(F)F)N1CCN(c2ccc3c(c2)OCO3)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-02,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2125,5.1,it5.1_AM-04_Imid-01_BA-03,AM-04-Imid-01-BA-03,O=C(NCC(F)(F)F)N1CCN(c2ccc(Cl)cc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-03,OB(O)C1=CC=C(Cl)C=C1,,,,,,,,,,,,,fail,,,,
2126,5.1,it5.1_AM-04_Imid-01_BA-04,AM-04-Imid-01-BA-04,O=C(NCC(F)(F)F)N1CCN(c2ccncc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-04,OB(O)C1=CC=NC=C1,,,,,,,,,,,,,fail,,,,
2127,5.1,it5.1_AM-04_Imid-01_BA-05,AM-04-Imid-01-BA-05,O=C(NCC(F)(F)F)N1CCN(c2cccs2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-05,OB(O)C1=CC=CS1,,,,,,,,,,,,,fail,,,,
2128,5.1,it5.1_AM-04_Imid-01_BA-06,AM-04-Imid-01-BA-06,O=C(NCC(F)(F)F)N1CCN(c2cccnc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-06,OB(O)C1=CC=CN=C1,,,,,,,,,,,,,fail,,,,
2129,5.1,it5.1_AM-04_Imid-01_BA-07,AM-04-Imid-01-BA-07,O=C(NCC(F)(F)F)N1CCN(c2ccc(F)cc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-07,OB(O)C1=CC=C(F)C=C1,,,,,,,,,,,,,fail,,,,
2130,5.1,it5.1_AM-04_Imid-01_BA-08,AM-04-Imid-01-BA-08,NC(=O)c1cccc(N2CCN(C(=O)NCC(F)(F)F)CC2)c1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-08,OB(O)C1=CC=CC(C(N)=O)=C1,,,,,,,,,,,,,fail,,,,
2131,5.1,it5.1_AM-04_Imid-01_BA-09,AM-04-Imid-01-BA-09,O=C(NCC(F)(F)F)N1CCN(c2ccc3[nH]ccc3c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-09,OB(O)C1=CC=C(NC=C2)C2=C1,,,,,,,,,,,,,fail,,,,
2132,5.1,it5.1_AM-04_Imid-01_BA-10,AM-04-Imid-01-BA-10,O=C(NCC(F)(F)F)N1CCN(c2cccc(O)c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-10,OB(O)C1=CC=CC(O)=C1,,,,,,,,,,,,,fail,,,,
2133,5.1,it5.1_AM-04_Imid-01_BA-11,AM-04-Imid-01-BA-11,O=C(NCC(F)(F)F)N1CCN(c2cncnc2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-11,OB(O)C1=CN=CN=C1,,,,,,,,,,,,,fail,,,,
2134,5.1,it5.1_AM-04_Imid-01_BA-12,AM-04-Imid-01-BA-12,O=C(NCC(F)(F)F)N1CCN(c2cccc(OC(F)(F)F)c2)CC1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-12,OB(O)C1=CC=CC(OC(F)(F)F)=C1,,,,,,,,,,,,,fail,,,,
2135,5.1,it5.1_AM-04_Imid-01_BA-13,AM-04-Imid-01-BA-13,COc1cc(OC)cc(N2CCN(C(=O)NCC(F)(F)F)CC2)c1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-13,OB(O)C1=CC(OC)=CC(OC)=C1,,,,,,,,,,,,,fail,,,,
2136,5.1,it5.1_AM-04_Imid-01_BA-14,AM-04-Imid-01-BA-14,COC(=O)c1cccc(N2CCN(C(=O)NCC(F)(F)F)CC2)c1,based on hits from Harolds screen - direct Aryl-N coupling with similar ureas on the other side of the piperazine. For chemistry ChanLam coupling,Iteration 5.1,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,AM-04,NCC(F)(F)F,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-14,OB(O)C1=CC=CC(C(OC)=O)=C1,,,,,,,,,,,,,fail,,,,
2137,5.1,it5.1_CA-01_Imid-01_BA-01,CA-01-Imid-01-BA-01,CNc1ccccc1C(=O)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-01,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2138,5.1,it5.1_CA-01_Imid-01_BA-02,CA-01-Imid-01-BA-02,CNc1ccccc1C(=O)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-02,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2139,5.1,it5.1_CA-01_Imid-01_BA-03,CA-01-Imid-01-BA-03,CNc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-03,OB(O)C1=CC=C(Cl)C=C1,,,,,,,,,,,,,fail,,,,
2140,5.1,it5.1_CA-01_Imid-01_BA-04,CA-01-Imid-01-BA-04,CNc1ccccc1C(=O)N1CCN(c2ccncc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-04,OB(O)C1=CC=NC=C1,,,,,,,,,,,,,fail,,,,
2141,5.1,it5.1_CA-01_Imid-01_BA-05,CA-01-Imid-01-BA-05,CNc1ccccc1C(=O)N1CCN(c2cccs2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-05,OB(O)C1=CC=CS1,,,,,,,,,,,,,fail,,,,
2142,5.1,it5.1_CA-01_Imid-01_BA-06,CA-01-Imid-01-BA-06,CNc1ccccc1C(=O)N1CCN(c2cccnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-06,OB(O)C1=CC=CN=C1,,,,,,,,,,,,,fail,,,,
2143,5.1,it5.1_CA-01_Imid-01_BA-07,CA-01-Imid-01-BA-07,CNc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-07,OB(O)C1=CC=C(F)C=C1,,,,,,,,,,,,,fail,,,,
2144,5.1,it5.1_CA-01_Imid-01_BA-08,CA-01-Imid-01-BA-08,CNc1ccccc1C(=O)N1CCN(c2cccc(C(N)=O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-08,OB(O)C1=CC=CC(C(N)=O)=C1,,,,,,,,,,,,,fail,,,,
2145,5.1,it5.1_CA-01_Imid-01_BA-09,CA-01-Imid-01-BA-09,CNc1ccccc1C(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-09,OB(O)C1=CC=C(NC=C2)C2=C1,,,,,,,,,,,,,fail,,,,
2146,5.1,it5.1_CA-01_Imid-01_BA-10,CA-01-Imid-01-BA-10,CNc1ccccc1C(=O)N1CCN(c2cccc(O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-10,OB(O)C1=CC=CC(O)=C1,,,,,,,,,,,,,fail,,,,
2147,5.1,it5.1_CA-01_Imid-01_BA-11,CA-01-Imid-01-BA-11,CNc1ccccc1C(=O)N1CCN(c2cncnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-11,OB(O)C1=CN=CN=C1,,,,,,,,,,,,,fail,,,,
2148,5.1,it5.1_CA-01_Imid-01_BA-12,CA-01-Imid-01-BA-12,CNc1ccccc1C(=O)N1CCN(c2cccc(OC(F)(F)F)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-12,OB(O)C1=CC=CC(OC(F)(F)F)=C1,,,,,,,,,,,,,fail,,,,
2149,5.1,it5.1_CA-01_Imid-01_BA-13,CA-01-Imid-01-BA-13,CNc1ccccc1C(=O)N1CCN(c2cc(OC)cc(OC)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-13,OB(O)C1=CC(OC)=CC(OC)=C1,,,,,,,,,,,,,fail,,,,
2150,5.1,it5.1_CA-01_Imid-01_BA-14,CA-01-Imid-01-BA-14,CNc1ccccc1C(=O)N1CCN(c2cccc(C(=O)OC)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-01,CNC1=CC=CC=C1C(=O)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-14,OB(O)C1=CC=CC(C(OC)=O)=C1,,,,,,,,,,,,,fail,,,,
2151,5.1,it5.1_CA-02_Imid-01_BA-01,CA-02-Imid-01-BA-01,O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-01,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2152,5.1,it5.1_CA-02_Imid-01_BA-02,CA-02-Imid-01-BA-02,O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-02,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2153,5.1,it5.1_CA-02_Imid-01_BA-03,CA-02-Imid-01-BA-03,O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Cl)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-03,OB(O)C1=CC=C(Cl)C=C1,,,,,,,,,,,,,fail,,,,
2154,5.1,it5.1_CA-02_Imid-01_BA-04,CA-02-Imid-01-BA-04,O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccncc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-04,OB(O)C1=CC=NC=C1,,,,,,,,,,,,,fail,,,,
2155,5.1,it5.1_CA-02_Imid-01_BA-05,CA-02-Imid-01-BA-05,O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cccs2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-05,OB(O)C1=CC=CS1,,,,,,,,,,,,,fail,,,,
2156,5.1,it5.1_CA-02_Imid-01_BA-06,CA-02-Imid-01-BA-06,O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cccnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-06,OB(O)C1=CC=CN=C1,,,,,,,,,,,,,fail,,,,
2157,5.1,it5.1_CA-02_Imid-01_BA-07,CA-02-Imid-01-BA-07,O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-07,OB(O)C1=CC=C(F)C=C1,,,,,,,,,,,,,fail,,,,
2158,5.1,it5.1_CA-02_Imid-01_BA-08,CA-02-Imid-01-BA-08,NC(=O)c1cccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-08,OB(O)C1=CC=CC(C(N)=O)=C1,,,,,,,,,,,,,fail,,,,
2159,5.1,it5.1_CA-02_Imid-01_BA-09,CA-02-Imid-01-BA-09,O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3[nH]ccc3c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-09,OB(O)C1=CC=C(NC=C2)C2=C1,,,,,,,,,,,,,fail,,,,
2160,5.1,it5.1_CA-02_Imid-01_BA-10,CA-02-Imid-01-BA-10,O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-10,OB(O)C1=CC=CC(O)=C1,,,,,,,,,,,,,fail,,,,
2161,5.1,it5.1_CA-02_Imid-01_BA-11,CA-02-Imid-01-BA-11,O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cncnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-11,OB(O)C1=CN=CN=C1,,,,,,,,,,,,,fail,,,,
2162,5.1,it5.1_CA-02_Imid-01_BA-12,CA-02-Imid-01-BA-12,O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(OC(F)(F)F)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-12,OB(O)C1=CC=CC(OC(F)(F)F)=C1,,,,,,,,,,,,,fail,,,,
2163,5.1,it5.1_CA-02_Imid-01_BA-13,CA-02-Imid-01-BA-13,COc1cc(OC)cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-13,OB(O)C1=CC(OC)=CC(OC)=C1,,,,,,,,,,,,,fail,,,,
2164,5.1,it5.1_CA-02_Imid-01_BA-14,CA-02-Imid-01-BA-14,COC(=O)c1cccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-02,C1=CC(=C(C=C1C(=O)O)Cl)Cl,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-14,OB(O)C1=CC=CC(C(OC)=O)=C1,,,,,,,,,,,,,fail,,,,
2165,5.1,it5.1_CA-03_Imid-01_BA-01,CA-03-Imid-01-BA-01,CC(O)C(=O)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-01,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2166,5.1,it5.1_CA-03_Imid-01_BA-02,CA-03-Imid-01-BA-02,CC(O)C(=O)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-02,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2167,5.1,it5.1_CA-03_Imid-01_BA-03,CA-03-Imid-01-BA-03,CC(O)C(=O)N1CCN(c2ccc(Cl)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-03,OB(O)C1=CC=C(Cl)C=C1,,,,,,,,,,,,,fail,,,,
2168,5.1,it5.1_CA-03_Imid-01_BA-04,CA-03-Imid-01-BA-04,CC(O)C(=O)N1CCN(c2ccncc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-04,OB(O)C1=CC=NC=C1,,,,,,,,,,,,,fail,,,,
2169,5.1,it5.1_CA-03_Imid-01_BA-05,CA-03-Imid-01-BA-05,CC(O)C(=O)N1CCN(c2cccs2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-05,OB(O)C1=CC=CS1,,,,,,,,,,,,,fail,,,,
2170,5.1,it5.1_CA-03_Imid-01_BA-06,CA-03-Imid-01-BA-06,CC(O)C(=O)N1CCN(c2cccnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-06,OB(O)C1=CC=CN=C1,,,,,,,,,,,,,fail,,,,
2171,5.1,it5.1_CA-03_Imid-01_BA-07,CA-03-Imid-01-BA-07,CC(O)C(=O)N1CCN(c2ccc(F)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-07,OB(O)C1=CC=C(F)C=C1,,,,,,,,,,,,,fail,,,,
2172,5.1,it5.1_CA-03_Imid-01_BA-08,CA-03-Imid-01-BA-08,CC(O)C(=O)N1CCN(c2cccc(C(N)=O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-08,OB(O)C1=CC=CC(C(N)=O)=C1,,,,,,,,,,,,,fail,,,,
2173,5.1,it5.1_CA-03_Imid-01_BA-09,CA-03-Imid-01-BA-09,CC(O)C(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-09,OB(O)C1=CC=C(NC=C2)C2=C1,,,,,,,,,,,,,fail,,,,
2174,5.1,it5.1_CA-03_Imid-01_BA-10,CA-03-Imid-01-BA-10,CC(O)C(=O)N1CCN(c2cccc(O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-10,OB(O)C1=CC=CC(O)=C1,,,,,,,,,,,,,fail,,,,
2175,5.1,it5.1_CA-03_Imid-01_BA-11,CA-03-Imid-01-BA-11,CC(O)C(=O)N1CCN(c2cncnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-11,OB(O)C1=CN=CN=C1,,,,,,,,,,,,,fail,,,,
2176,5.1,it5.1_CA-03_Imid-01_BA-12,CA-03-Imid-01-BA-12,CC(O)C(=O)N1CCN(c2cccc(OC(F)(F)F)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-12,OB(O)C1=CC=CC(OC(F)(F)F)=C1,,,,,,,,,,,,,fail,,,,
2177,5.1,it5.1_CA-03_Imid-01_BA-13,CA-03-Imid-01-BA-13,COc1cc(OC)cc(N2CCN(C(=O)C(C)O)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-13,OB(O)C1=CC(OC)=CC(OC)=C1,,,,,,,,,,,,,fail,,,,
2178,5.1,it5.1_CA-03_Imid-01_BA-14,CA-03-Imid-01-BA-14,COC(=O)c1cccc(N2CCN(C(=O)C(C)O)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-03,O=C(C(O)C)O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-14,OB(O)C1=CC=CC(C(OC)=O)=C1,,,,,,,,,,,,,fail,,,,
2179,5.1,it5.1_CA-04_Imid-01_BA-01,CA-04-Imid-01-BA-01,CC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-01,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2180,5.1,it5.1_CA-04_Imid-01_BA-02,CA-04-Imid-01-BA-02,CC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-02,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2181,5.1,it5.1_CA-04_Imid-01_BA-03,CA-04-Imid-01-BA-03,CC(=O)N1CCN(c2ccc(Cl)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-03,OB(O)C1=CC=C(Cl)C=C1,,,,,,,,,,,,,fail,,,,
2182,5.1,it5.1_CA-04_Imid-01_BA-04,CA-04-Imid-01-BA-04,CC(=O)N1CCN(c2ccncc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-04,OB(O)C1=CC=NC=C1,,,,,,,,,,,,,fail,,,,
2183,5.1,it5.1_CA-04_Imid-01_BA-05,CA-04-Imid-01-BA-05,CC(=O)N1CCN(c2cccs2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-05,OB(O)C1=CC=CS1,,,,,,,,,,,,,fail,,,,
2184,5.1,it5.1_CA-04_Imid-01_BA-06,CA-04-Imid-01-BA-06,CC(=O)N1CCN(c2cccnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-06,OB(O)C1=CC=CN=C1,,,,,,,,,,,,,fail,,,,
2185,5.1,it5.1_CA-04_Imid-01_BA-07,CA-04-Imid-01-BA-07,CC(=O)N1CCN(c2ccc(F)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-07,OB(O)C1=CC=C(F)C=C1,,,,,,,,,,,,,fail,,,,
2186,5.1,it5.1_CA-04_Imid-01_BA-08,CA-04-Imid-01-BA-08,CC(=O)N1CCN(c2cccc(C(N)=O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-08,OB(O)C1=CC=CC(C(N)=O)=C1,,,,,,,,,,,,,fail,,,,
2187,5.1,it5.1_CA-04_Imid-01_BA-09,CA-04-Imid-01-BA-09,CC(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-09,OB(O)C1=CC=C(NC=C2)C2=C1,,,,,,,,,,,,,fail,,,,
2188,5.1,it5.1_CA-04_Imid-01_BA-10,CA-04-Imid-01-BA-10,CC(=O)N1CCN(c2cccc(O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-10,OB(O)C1=CC=CC(O)=C1,,,,,,,,,,,,,fail,,,,
2189,5.1,it5.1_CA-04_Imid-01_BA-11,CA-04-Imid-01-BA-11,CC(=O)N1CCN(c2cncnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-11,OB(O)C1=CN=CN=C1,,,,,,,,,,,,,fail,,,,
2190,5.1,it5.1_CA-04_Imid-01_BA-12,CA-04-Imid-01-BA-12,CC(=O)N1CCN(c2cccc(OC(F)(F)F)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-12,OB(O)C1=CC=CC(OC(F)(F)F)=C1,,,,,,,,,,,,,fail,,,,
2191,5.1,it5.1_CA-04_Imid-01_BA-13,CA-04-Imid-01-BA-13,COc1cc(OC)cc(N2CCN(C(C)=O)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-13,OB(O)C1=CC(OC)=CC(OC)=C1,,,,,,,,,,,,,fail,,,,
2192,5.1,it5.1_CA-04_Imid-01_BA-14,CA-04-Imid-01-BA-14,COC(=O)c1cccc(N2CCN(C(C)=O)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-04,CC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-14,OB(O)C1=CC=CC(C(OC)=O)=C1,,,,,,,,,,,,,fail,,,,
2193,5.1,it5.1_CA-05_Imid-01_BA-01,CA-05-Imid-01-BA-01,O=C(c1ccco1)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-01,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2194,5.1,it5.1_CA-05_Imid-01_BA-02,CA-05-Imid-01-BA-02,O=C(c1ccco1)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-02,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2195,5.1,it5.1_CA-05_Imid-01_BA-03,CA-05-Imid-01-BA-03,O=C(c1ccco1)N1CCN(c2ccc(Cl)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-03,OB(O)C1=CC=C(Cl)C=C1,,,,,,,,,,,,,fail,,,,
2196,5.1,it5.1_CA-05_Imid-01_BA-04,CA-05-Imid-01-BA-04,O=C(c1ccco1)N1CCN(c2ccncc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-04,OB(O)C1=CC=NC=C1,,,,,,,,,,,,,fail,,,,
2197,5.1,it5.1_CA-05_Imid-01_BA-05,CA-05-Imid-01-BA-05,O=C(c1ccco1)N1CCN(c2cccs2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-05,OB(O)C1=CC=CS1,,,,,,,,,,,,,fail,,,,
2198,5.1,it5.1_CA-05_Imid-01_BA-06,CA-05-Imid-01-BA-06,O=C(c1ccco1)N1CCN(c2cccnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-06,OB(O)C1=CC=CN=C1,,,,,,,,,,,,,fail,,,,
2199,5.1,it5.1_CA-05_Imid-01_BA-07,CA-05-Imid-01-BA-07,O=C(c1ccco1)N1CCN(c2ccc(F)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-07,OB(O)C1=CC=C(F)C=C1,,,,,,,,,,,,,fail,,,,
2200,5.1,it5.1_CA-05_Imid-01_BA-08,CA-05-Imid-01-BA-08,NC(=O)c1cccc(N2CCN(C(=O)c3ccco3)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-08,OB(O)C1=CC=CC(C(N)=O)=C1,,,,,,,,,,,,,fail,,,,
2201,5.1,it5.1_CA-05_Imid-01_BA-09,CA-05-Imid-01-BA-09,O=C(c1ccco1)N1CCN(c2ccc3[nH]ccc3c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-09,OB(O)C1=CC=C(NC=C2)C2=C1,,,,,,,,,,,,,fail,,,,
2202,5.1,it5.1_CA-05_Imid-01_BA-10,CA-05-Imid-01-BA-10,O=C(c1ccco1)N1CCN(c2cccc(O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-10,OB(O)C1=CC=CC(O)=C1,,,,,,,,,,,,,fail,,,,
2203,5.1,it5.1_CA-05_Imid-01_BA-11,CA-05-Imid-01-BA-11,O=C(c1ccco1)N1CCN(c2cncnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-11,OB(O)C1=CN=CN=C1,,,,,,,,,,,,,fail,,,,
2204,5.1,it5.1_CA-05_Imid-01_BA-12,CA-05-Imid-01-BA-12,O=C(c1ccco1)N1CCN(c2cccc(OC(F)(F)F)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-12,OB(O)C1=CC=CC(OC(F)(F)F)=C1,,,,,,,,,,,,,fail,,,,
2205,5.1,it5.1_CA-05_Imid-01_BA-13,CA-05-Imid-01-BA-13,COc1cc(OC)cc(N2CCN(C(=O)c3ccco3)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-13,OB(O)C1=CC(OC)=CC(OC)=C1,,,,,,,,,,,,,fail,,,,
2206,5.1,it5.1_CA-05_Imid-01_BA-14,CA-05-Imid-01-BA-14,COC(=O)c1cccc(N2CCN(C(=O)c3ccco3)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-05,O=C(O)C1=CC=CO1,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-14,OB(O)C1=CC=CC(C(OC)=O)=C1,,,,,,,,,,,,,fail,,,,
2207,5.1,it5.1_CA-06_Imid-01_BA-01,CA-06-Imid-01-BA-01,O=C(Cc1ccccc1)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-01,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2208,5.1,it5.1_CA-06_Imid-01_BA-02,CA-06-Imid-01-BA-02,O=C(Cc1ccccc1)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-02,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2209,5.1,it5.1_CA-06_Imid-01_BA-03,CA-06-Imid-01-BA-03,O=C(Cc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-03,OB(O)C1=CC=C(Cl)C=C1,,,,,,,,,,,,,fail,,,,
2210,5.1,it5.1_CA-06_Imid-01_BA-04,CA-06-Imid-01-BA-04,O=C(Cc1ccccc1)N1CCN(c2ccncc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-04,OB(O)C1=CC=NC=C1,,,,,,,,,,,,,fail,,,,
2211,5.1,it5.1_CA-06_Imid-01_BA-05,CA-06-Imid-01-BA-05,O=C(Cc1ccccc1)N1CCN(c2cccs2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-05,OB(O)C1=CC=CS1,,,,,,,,,,,,,fail,,,,
2212,5.1,it5.1_CA-06_Imid-01_BA-06,CA-06-Imid-01-BA-06,O=C(Cc1ccccc1)N1CCN(c2cccnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-06,OB(O)C1=CC=CN=C1,,,,,,,,,,,,,fail,,,,
2213,5.1,it5.1_CA-06_Imid-01_BA-07,CA-06-Imid-01-BA-07,O=C(Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-07,OB(O)C1=CC=C(F)C=C1,,,,,,,,,,,,,fail,,,,
2214,5.1,it5.1_CA-06_Imid-01_BA-08,CA-06-Imid-01-BA-08,NC(=O)c1cccc(N2CCN(C(=O)Cc3ccccc3)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-08,OB(O)C1=CC=CC(C(N)=O)=C1,,,,,,,,,,,,,fail,,,,
2215,5.1,it5.1_CA-06_Imid-01_BA-09,CA-06-Imid-01-BA-09,O=C(Cc1ccccc1)N1CCN(c2ccc3[nH]ccc3c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-09,OB(O)C1=CC=C(NC=C2)C2=C1,,,,,,,,,,,,,fail,,,,
2216,5.1,it5.1_CA-06_Imid-01_BA-10,CA-06-Imid-01-BA-10,O=C(Cc1ccccc1)N1CCN(c2cccc(O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-10,OB(O)C1=CC=CC(O)=C1,,,,,,,,,,,,,fail,,,,
2217,5.1,it5.1_CA-06_Imid-01_BA-11,CA-06-Imid-01-BA-11,O=C(Cc1ccccc1)N1CCN(c2cncnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-11,OB(O)C1=CN=CN=C1,,,,,,,,,,,,,fail,,,,
2218,5.1,it5.1_CA-06_Imid-01_BA-12,CA-06-Imid-01-BA-12,O=C(Cc1ccccc1)N1CCN(c2cccc(OC(F)(F)F)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-12,OB(O)C1=CC=CC(OC(F)(F)F)=C1,,,,,,,,,,,,,fail,,,,
2219,5.1,it5.1_CA-06_Imid-01_BA-13,CA-06-Imid-01-BA-13,COc1cc(OC)cc(N2CCN(C(=O)Cc3ccccc3)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-13,OB(O)C1=CC(OC)=CC(OC)=C1,,,,,,,,,,,,,fail,,,,
2220,5.1,it5.1_CA-06_Imid-01_BA-14,CA-06-Imid-01-BA-14,COC(=O)c1cccc(N2CCN(C(=O)Cc3ccccc3)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-06,OC(CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-14,OB(O)C1=CC=CC(C(OC)=O)=C1,,,,,,,,,,,,,fail,,,,
2221,5.1,it5.1_CA-07_Imid-01_BA-01,CA-07-Imid-01-BA-01,O=C(C#Cc1ccccc1)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-01,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2222,5.1,it5.1_CA-07_Imid-01_BA-02,CA-07-Imid-01-BA-02,O=C(C#Cc1ccccc1)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-02,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2223,5.1,it5.1_CA-07_Imid-01_BA-03,CA-07-Imid-01-BA-03,O=C(C#Cc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-03,OB(O)C1=CC=C(Cl)C=C1,,,,,,,,,,,,,fail,,,,
2224,5.1,it5.1_CA-07_Imid-01_BA-04,CA-07-Imid-01-BA-04,O=C(C#Cc1ccccc1)N1CCN(c2ccncc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-04,OB(O)C1=CC=NC=C1,,,,,,,,,,,,,fail,,,,
2225,5.1,it5.1_CA-07_Imid-01_BA-05,CA-07-Imid-01-BA-05,O=C(C#Cc1ccccc1)N1CCN(c2cccs2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-05,OB(O)C1=CC=CS1,,,,,,,,,,,,,fail,,,,
2226,5.1,it5.1_CA-07_Imid-01_BA-06,CA-07-Imid-01-BA-06,O=C(C#Cc1ccccc1)N1CCN(c2cccnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-06,OB(O)C1=CC=CN=C1,,,,,,,,,,,,,fail,,,,
2227,5.1,it5.1_CA-07_Imid-01_BA-07,CA-07-Imid-01-BA-07,O=C(C#Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-07,OB(O)C1=CC=C(F)C=C1,,,,,,,,,,,,,fail,,,,
2228,5.1,it5.1_CA-07_Imid-01_BA-08,CA-07-Imid-01-BA-08,NC(=O)c1cccc(N2CCN(C(=O)C#Cc3ccccc3)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-08,OB(O)C1=CC=CC(C(N)=O)=C1,,,,,,,,,,,,,fail,,,,
2229,5.1,it5.1_CA-07_Imid-01_BA-09,CA-07-Imid-01-BA-09,O=C(C#Cc1ccccc1)N1CCN(c2ccc3[nH]ccc3c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-09,OB(O)C1=CC=C(NC=C2)C2=C1,,,,,,,,,,,,,fail,,,,
2230,5.1,it5.1_CA-07_Imid-01_BA-10,CA-07-Imid-01-BA-10,O=C(C#Cc1ccccc1)N1CCN(c2cccc(O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-10,OB(O)C1=CC=CC(O)=C1,,,,,,,,,,,,,fail,,,,
2231,5.1,it5.1_CA-07_Imid-01_BA-11,CA-07-Imid-01-BA-11,O=C(C#Cc1ccccc1)N1CCN(c2cncnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-11,OB(O)C1=CN=CN=C1,,,,,,,,,,,,,fail,,,,
2232,5.1,it5.1_CA-07_Imid-01_BA-12,CA-07-Imid-01-BA-12,O=C(C#Cc1ccccc1)N1CCN(c2cccc(OC(F)(F)F)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-12,OB(O)C1=CC=CC(OC(F)(F)F)=C1,,,,,,,,,,,,,fail,,,,
2233,5.1,it5.1_CA-07_Imid-01_BA-13,CA-07-Imid-01-BA-13,COc1cc(OC)cc(N2CCN(C(=O)C#Cc3ccccc3)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-13,OB(O)C1=CC(OC)=CC(OC)=C1,,,,,,,,,,,,,fail,,,,
2234,5.1,it5.1_CA-07_Imid-01_BA-14,CA-07-Imid-01-BA-14,COC(=O)c1cccc(N2CCN(C(=O)C#Cc3ccccc3)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-07,OC(C#CC1=CC=CC=C1)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-14,OB(O)C1=CC=CC(C(OC)=O)=C1,,,,,,,,,,,,,fail,,,,
2235,5.1,it5.1_CA-08_Imid-01_BA-01,CA-08-Imid-01-BA-01,CC(C)(C)OC(=O)NCC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-01,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2236,5.1,it5.1_CA-08_Imid-01_BA-02,CA-08-Imid-01-BA-02,CC(C)(C)OC(=O)NCC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-02,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2237,5.1,it5.1_CA-08_Imid-01_BA-03,CA-08-Imid-01-BA-03,CC(C)(C)OC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-03,OB(O)C1=CC=C(Cl)C=C1,,,,,,,,,,,,,fail,,,,
2238,5.1,it5.1_CA-08_Imid-01_BA-04,CA-08-Imid-01-BA-04,CC(C)(C)OC(=O)NCC(=O)N1CCN(c2ccncc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-04,OB(O)C1=CC=NC=C1,,,,,,,,,,,,,fail,,,,
2239,5.1,it5.1_CA-08_Imid-01_BA-05,CA-08-Imid-01-BA-05,CC(C)(C)OC(=O)NCC(=O)N1CCN(c2cccs2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-05,OB(O)C1=CC=CS1,,,,,,,,,,,,,fail,,,,
2240,5.1,it5.1_CA-08_Imid-01_BA-06,CA-08-Imid-01-BA-06,CC(C)(C)OC(=O)NCC(=O)N1CCN(c2cccnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-06,OB(O)C1=CC=CN=C1,,,,,,,,,,,,,fail,,,,
2241,5.1,it5.1_CA-08_Imid-01_BA-07,CA-08-Imid-01-BA-07,CC(C)(C)OC(=O)NCC(=O)N1CCN(c2ccc(F)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-07,OB(O)C1=CC=C(F)C=C1,,,,,,,,,,,,,fail,,,,
2242,5.1,it5.1_CA-08_Imid-01_BA-08,CA-08-Imid-01-BA-08,CC(C)(C)OC(=O)NCC(=O)N1CCN(c2cccc(C(N)=O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-08,OB(O)C1=CC=CC(C(N)=O)=C1,,,,,,,,,,,,,fail,,,,
2243,5.1,it5.1_CA-08_Imid-01_BA-09,CA-08-Imid-01-BA-09,CC(C)(C)OC(=O)NCC(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-09,OB(O)C1=CC=C(NC=C2)C2=C1,,,,,,,,,,,,,fail,,,,
2244,5.1,it5.1_CA-08_Imid-01_BA-10,CA-08-Imid-01-BA-10,CC(C)(C)OC(=O)NCC(=O)N1CCN(c2cccc(O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-10,OB(O)C1=CC=CC(O)=C1,,,,,,,,,,,,,fail,,,,
2245,5.1,it5.1_CA-08_Imid-01_BA-11,CA-08-Imid-01-BA-11,CC(C)(C)OC(=O)NCC(=O)N1CCN(c2cncnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-11,OB(O)C1=CN=CN=C1,,,,,,,,,,,,,fail,,,,
2246,5.1,it5.1_CA-08_Imid-01_BA-12,CA-08-Imid-01-BA-12,CC(C)(C)OC(=O)NCC(=O)N1CCN(c2cccc(OC(F)(F)F)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-12,OB(O)C1=CC=CC(OC(F)(F)F)=C1,,,,,,,,,,,,,fail,,,,
2247,5.1,it5.1_CA-08_Imid-01_BA-13,CA-08-Imid-01-BA-13,COc1cc(OC)cc(N2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-13,OB(O)C1=CC(OC)=CC(OC)=C1,,,,,,,,,,,,,fail,,,,
2248,5.1,it5.1_CA-08_Imid-01_BA-14,CA-08-Imid-01-BA-14,COC(=O)c1cccc(N2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)c1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-08,O=C(O)CNC(OC(C)(C)C)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-14,OB(O)C1=CC=CC(C(OC)=O)=C1,,,,,,,,,,,,,fail,,,,
2249,5.1,it5.1_CA-09_Imid-01_BA-01,CA-09-Imid-01-BA-01,C=CCCC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-01,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2250,5.1,it5.1_CA-09_Imid-01_BA-02,CA-09-Imid-01-BA-02,C=CCCC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-02,OB(O)C1=CC=C(OCO2)C2=C1,,,,,,,,,,,,,fail,,,,
2251,5.1,it5.1_CA-09_Imid-01_BA-03,CA-09-Imid-01-BA-03,C=CCCC(=O)N1CCN(c2ccc(Cl)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-03,OB(O)C1=CC=C(Cl)C=C1,,,,,,,,,,,,,fail,,,,
2252,5.1,it5.1_CA-09_Imid-01_BA-04,CA-09-Imid-01-BA-04,C=CCCC(=O)N1CCN(c2ccncc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-04,OB(O)C1=CC=NC=C1,,,,,,,,,,,,,fail,,,,
2253,5.1,it5.1_CA-09_Imid-01_BA-05,CA-09-Imid-01-BA-05,C=CCCC(=O)N1CCN(c2cccs2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-05,OB(O)C1=CC=CS1,,,,,,,,,,,,,fail,,,,
2254,5.1,it5.1_CA-09_Imid-01_BA-06,CA-09-Imid-01-BA-06,C=CCCC(=O)N1CCN(c2cccnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-06,OB(O)C1=CC=CN=C1,,,,,,,,,,,,,fail,,,,
2255,5.1,it5.1_CA-09_Imid-01_BA-07,CA-09-Imid-01-BA-07,C=CCCC(=O)N1CCN(c2ccc(F)cc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-07,OB(O)C1=CC=C(F)C=C1,,,,,,,,,,,,,fail,,,,
2256,5.1,it5.1_CA-09_Imid-01_BA-08,CA-09-Imid-01-BA-08,C=CCCC(=O)N1CCN(c2cccc(C(N)=O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-08,OB(O)C1=CC=CC(C(N)=O)=C1,,,,,,,,,,,,,fail,,,,
2257,5.1,it5.1_CA-09_Imid-01_BA-09,CA-09-Imid-01-BA-09,C=CCCC(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-09,OB(O)C1=CC=C(NC=C2)C2=C1,,,,,,,,,,,,,fail,,,,
2258,5.1,it5.1_CA-09_Imid-01_BA-10,CA-09-Imid-01-BA-10,C=CCCC(=O)N1CCN(c2cccc(O)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-10,OB(O)C1=CC=CC(O)=C1,,,,,,,,,,,,,fail,,,,
2259,5.1,it5.1_CA-09_Imid-01_BA-11,CA-09-Imid-01-BA-11,C=CCCC(=O)N1CCN(c2cncnc2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-11,OB(O)C1=CN=CN=C1,,,,,,,,,,,,,fail,,,,
2260,5.1,it5.1_CA-09_Imid-01_BA-12,CA-09-Imid-01-BA-12,C=CCCC(=O)N1CCN(c2cccc(OC(F)(F)F)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-12,OB(O)C1=CC=CC(OC(F)(F)F)=C1,,,,,,,,,,,,,fail,,,,
2261,5.1,it5.1_CA-09_Imid-01_BA-13,CA-09-Imid-01-BA-13,C=CCCC(=O)N1CCN(c2cc(OC)cc(OC)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-13,OB(O)C1=CC(OC)=CC(OC)=C1,,,,,,,,,,,,,fail,,,,
2262,5.1,it5.1_CA-09_Imid-01_BA-14,CA-09-Imid-01-BA-14,C=CCCC(=O)N1CCN(c2cccc(C(=O)OC)c2)CC1,orthogonal to 5p1 - chanlam but on the other side an ester and not a urea,Iteration 5.2,,,0%,fail,,,NR,not soaked,NR,no,,,,,,,CA-09,C=CCCC(O)=O,Imid-01,O=C(N1CCN(C(OC(C)(C)C)=O)CC1)N2C=C[N+](C)=C2.[I-],BA-14,OB(O)C1=CC=CC(C(OC)=O)=C1,,,,,,,,,,,,,fail,,,,