# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-01T09:15:36+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'ACS Medicinal Chemistry Letters') AND volume = 1 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"4510954","6.6012","0.0001","11.6826","0.0003","29.9592","0.0007","90","","90","","90","","2310.43","0.09","200","2","200","2","","","","","","","chemical synthesis","6","P 21 21 21","P 2ac 2ab","19","Wyeth WAY-260022-A-6 [L31097-45-A]","1-{(1<i>S</i>)-2-[(<i>cis</i>)-3,5-Dimethylpiperazin-l-yl]-1- [3-(trifluoromethoxy)phenyl]ethyl}cyclohexanol Dihydrochloride","","- C21 H33 Cl2 F3 N2 O2 -","- C21 H33 Cl2 F3 N2 O2 -","- C84 H132 Cl8 F12 N8 O8 -","4","1","","Gavrin, Lori K.; Mahaney, Paige E.; Jenkins, Douglas; Nogle, Lisa M.; Mugford, Cheryl A.; Huselton, Christine; Leiter, Jennifer; Johnston, Grace H.; Bray, Jenifer A.; Burroughs, Kevin D.; Cosmi, Scott A.; Alfinito, Peter; Ho, Douglas M.; Deecher, Darlene C.; Trybulski, Eugene J.","Discovery of WAY-260022, a Potent and Selective Inhibitor of the Norepinephrine Transporter","ACS Medicinal Chemistry Letters","2010","1","3","91","","10.1021/ml100009p","","","0.71073","MoKα","","0.0562","0.0411","","","0.0829","0.0892","","","","","","1.033","","","","has coordinates","179656","2020-10-21","18:00:00",""