Configuration Set

MISPR-NMR__CS_bdzfi4u70ezm_0

Name	MISPR-NMR
Extended ID	MISPR-NMR__CS_bdzfi4u70ezm_0
Description	Configurations from MISPR dataset produced by the MISPR nuclear magnetic resonance (NMR) workflow
Elements	C (29.5%) H (59.59%) N (3.39%) O (5.95%) S (0.33%) Cl (0.91%) Si (0.25%) P (0.08%)
Number of Configurations	100
Number of Atoms	1,210
Configurations	CO_619968146822109345 CO_1815833642552175220 CO_294995088311882731 CO_1200386751951282323 CO_1599802192216430550 CO_1942089923902537630 CO_346414645939980423 CO_521179590553996242 CO_431926151562326864 CO_313058096899701390 CO_30128049740700017 CO_602844409624205505 CO_2266296796644827559 CO_1692026021945941386 CO_2259134810759141001 CO_103866152362511839 CO_2242915568748412272 CO_325207847123081309 CO_2155605558607714366 CO_1363618829380930578 CO_1170486373610105337 CO_1014590019257521703 CO_1516871078984795728 CO_1495878020578393711 CO_1171423563178453712 CO_470209355171531032 CO_1669255742081462713 CO_590006269285216747 CO_1264540665512779118 CO_774577398934602515 CO_29916905744387416 CO_796428602442429666 CO_1598648858348200475 CO_1602595430180633404 CO_320460706447544165 CO_625171781707080608 CO_2203791665779685510 CO_513883417922768115 CO_867471820550369418 CO_427962394160404280 CO_2069447347272604631 CO_1551458696781216429 CO_1629101082293824547 CO_2150025810877218886 CO_731191143408213418 CO_46069913375757290 CO_1149920712340667476 CO_2073708864921651300 CO_336231163270138943 CO_1552211131042816109 CO_72426641852617605 CO_727005845079384665 CO_511247851096257424 CO_1245463511283630806 CO_1408411844958955994 CO_991692072139797686 CO_244092597606740985 CO_1998801427209737373 CO_1670348624095432181 CO_1573214332789920216 CO_282046395477501200 CO_1450004634484465092 CO_1316718557807321604 CO_1554380416019258567 CO_1885930387740358739 CO_395767129613790372 CO_1685175314558573717 CO_1875881210013751366 CO_2015231938621452509 CO_345513387419089541 CO_1034725521396552649 CO_1376231655735149570 CO_866700958764821857 CO_609382416206807973 CO_77955352273125082 CO_237197760375917498 CO_177335248295875843 CO_490815032822680444 CO_584515499633874780 CO_2208462364036444288 CO_1475208670138597708 CO_41789856723073081 CO_876870689398519474 CO_652127847565906077 CO_563472189187995526 CO_1433470129176550175 CO_767614035837521049 CO_2132003424210685488 CO_1920620336614403743 CO_1982174584210339509 CO_731062108383904801 CO_1448025672311587411 CO_1157713669986486218 CO_1304805850449387819 CO_1714175715708327911 CO_175967258048529487 CO_1841083989892057782 CO_637794087758580894 CO_718847856195849859 CO_1332362949393894593
Datasets	DS_rsao7xrpu9ig_0
ColabFit ID	CS_bdzfi4u70ezm_0
Files	colabfitspec.json

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