urdof7 commited on
Commit
6044f25
·
verified ·
1 Parent(s): 72b8f97

Added 32 molecules from epoch 20514 for Q63380

Browse files
Files changed (1) hide show
  1. Q63380_molecules.csv +32 -0
Q63380_molecules.csv CHANGED
@@ -8493,3 +8493,35 @@ rxn:1:64168:3915,Cc1cc(Br)ccc1-n1cc(-c2cnc(O)c(F)c2)nn1,AQEZTFURXHEVEO-UHFFFAOYS
8493
  rxn:1:64802:23538,C=CCC(CC)n1cc(-c2oc3c(I)cncc3c2N)nn1,WZIAXRXGSLDVNJ-UHFFFAOYSA-N
8494
  rxn:1:65223:23539,Nc1c(-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)oc2nccnc12,ZTQFXLGFYWIWTJ-UHFFFAOYSA-N
8495
  rxn:3:41072:31345:128458,Cc1ccc(-c2cn(CC=Cc3c(F)cc(C(=O)N[C@H]4CC[C@@H](C)OC4)cc3F)nn2)nc1F,ZUUUWKSNVPEKRS-WBVHZDCISA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
8493
  rxn:1:64802:23538,C=CCC(CC)n1cc(-c2oc3c(I)cncc3c2N)nn1,WZIAXRXGSLDVNJ-UHFFFAOYSA-N
8494
  rxn:1:65223:23539,Nc1c(-c2cn(Cc3ccc(Cl)c(Cl)c3)nn2)oc2nccnc12,ZTQFXLGFYWIWTJ-UHFFFAOYSA-N
8495
  rxn:3:41072:31345:128458,Cc1ccc(-c2cn(CC=Cc3c(F)cc(C(=O)N[C@H]4CC[C@@H](C)OC4)cc3F)nn2)nc1F,ZUUUWKSNVPEKRS-WBVHZDCISA-N
8496
+ rxn:1:39929:31526,Cc1n[nH]c(N)c1C=CCn1cc(-c2cc(I)cc(I)c2)nn1,LZIZOGBUHSASEP-UHFFFAOYSA-N
8497
+ rxn:1:40062:39089,Nc1cc(Cl)ncc1C=CCn1cc(-c2ccc(Br)s2)nn1,BWFJUICZMNPXCC-UHFFFAOYSA-N
8498
+ rxn:1:41711:28393,NCC(CC1CC1)c1cn(-c2ccc(I)cc2Br)nn1,HMSZHZIAHPLMPW-UHFFFAOYSA-N
8499
+ rxn:1:41788:20555,Cc1csc(C=CCn2cc(-c3cnc(Cl)c(I)c3N)nn2)c1,BFFCXRGLKDOTED-UHFFFAOYSA-N
8500
+ rxn:1:42029:11848,Cc1ccc(-n2cc(C3CCC(N)CC3)nn2)cc1I,LGNIZJDIYRLQIL-UHFFFAOYSA-N
8501
+ rxn:1:42149:31489,CC(N)Cn1cc(-c2cc(Cl)ccc2I)nn1,VJYROPBFZRWWGX-UHFFFAOYSA-N
8502
+ rxn:1:43683:28139,Nc1ncc(-c2cn(CC#Cc3cc(Cl)ncc3Br)nn2)c(N)n1,USZJCXGZXRAHRV-UHFFFAOYSA-N
8503
+ rxn:1:43730:30483,CCn1cc(-c2cn(-c3ccc(Br)cc3I)nn2)c(C)n1,OXMLZRRWJOMLDT-UHFFFAOYSA-N
8504
+ rxn:1:43730:578,Cc1cnc(-c2cn(-c3ccc(Br)cc3I)nn2)c(N)c1,DBSDCQXUCWYLDT-UHFFFAOYSA-N
8505
+ rxn:1:50619:39921,CC[Si](CC)(CC)n1cc(-c2ccc(I)nn2)nn1,YRTDTJQXTAISGQ-UHFFFAOYSA-N
8506
+ rxn:1:52145:565,Nc1nc(Cl)cnc1C1CC1CCn1cc(-c2csc(Cl)c2)nn1,HPFYKLGSWXUEBY-UHFFFAOYSA-N
8507
+ rxn:1:55344:35342,Cc1cnc(N)c(C2CC2Cn2cc(-c3ccc(Cl)s3)nn2)c1,JRAWZXUNNNTOQY-UHFFFAOYSA-N
8508
+ rxn:1:55516:357,Cc1ccc(-c2cn(CC3CC3c3c(N)ncnc3Cl)nn2)s1,ISCHWOMTMYSIHD-UHFFFAOYSA-N
8509
+ rxn:1:55744:1595,Cc1cc(N)c(N)cc1C1CC1Cn1cc(-c2csc(Br)n2)nn1,MDZUDWCJOBYBLD-UHFFFAOYSA-N
8510
+ rxn:1:55932:565,N#Cc1cc(C2CC2Cn2cc(-c3csc(Cl)c3)nn2)cnc1N,LOPMIRXEQVKULK-UHFFFAOYSA-N
8511
+ rxn:1:57020:8718,Cc1cc(-c2cn(CCCc3occc3Br)nn2)cnc1N,FAPDVAOXOJFWMF-UHFFFAOYSA-N
8512
+ rxn:1:57043:31227,NCc1ccc(-c2cn(CCCc3csc(Br)n3)nn2)cc1Cl,IQCGXWHUTJMRRB-UHFFFAOYSA-N
8513
+ rxn:1:57047:31528,COc1nccc(N)c1-c1cn(CCCc2cc(Br)c(Br)s2)nn1,FBWZGBPYCRSKAV-UHFFFAOYSA-N
8514
+ rxn:1:57384:8557,Cc1cnc(N)c(CCCn2cc(-c3csc(Br)c3)nn2)c1,TYPWBVRNPNDRFA-UHFFFAOYSA-N
8515
+ rxn:1:57399:565,Cc1cnc(CCCn2cc(-c3csc(Cl)c3)nn2)c(N)c1,XZMYGOZLVGQGLZ-UHFFFAOYSA-N
8516
+ rxn:1:57548:565,Nc1nc(Cl)ncc1CCCn1cc(-c2csc(Cl)c2)nn1,IXVCWEKYYVMKQI-UHFFFAOYSA-N
8517
+ rxn:1:57939:31918,COc1nc(CCCn2cc(-c3ccsc3Cl)nn2)cnc1N,JKSDNOKUNOJYCD-UHFFFAOYSA-N
8518
+ rxn:1:57939:37883,COc1nc(CCCn2cc(-c3cc(Cl)sc3Cl)nn2)cnc1N,IIJYQYJHYKSIKF-UHFFFAOYSA-N
8519
+ rxn:1:58686:31224,Cc1nc(-c2cn(CCCCc3ccsc3Cl)nn2)ccc1N,IYONDJBVOZEQBJ-UHFFFAOYSA-N
8520
+ rxn:1:58686:38726,Nc1nc(Cl)cnc1-c1cn(CCCCc2ccsc2Cl)nn1,OGYHHUUUKSHOBA-UHFFFAOYSA-N
8521
+ rxn:1:59985:31452,Cc1cc(CO)ccc1-c1cn([C@@H]2CC[C@H]2I)nn1,IINBPNZDIHXRKX-TZMCWYRMSA-N
8522
+ rxn:1:59985:394,Cc1cc2nccn2cc1-c1cn([C@@H]2CC[C@H]2I)nn1,AYODSACHYQGIRR-DGCLKSJQSA-N
8523
+ rxn:1:61587:27889,Oc1cc(-c2cn(C(CBr)C3CCCC3)nn2)ncc1Cl,WHWJWCDWOLTAJD-UHFFFAOYSA-N
8524
+ rxn:1:62327:27893,Cc1nc2ccc(-c3cn(CC(C)CBr)nn3)cc2s1,ITSDKZKMIOTAGS-UHFFFAOYSA-N
8525
+ rxn:1:62588:5934,Cc1ccc(OCc2cn(C3CCCC3I)nn2)c(Cl)n1,UIHFMTPZVAZRKY-UHFFFAOYSA-N
8526
+ rxn:1:64168:1405,Cc1cc(Br)ccc1-n1cc(C2(O)CC(C)(C)CC2C)nn1,PWKQQJOVWJKOTA-UHFFFAOYSA-N
8527
+ rxn:1:65661:31941,Nc1cc(Cl)c(F)cc1-c1cn(CC=Cc2ccsc2)nn1,QOFJWPKJQRKVIE-UHFFFAOYSA-N