urdof7 commited on
Commit
a0284a4
·
verified ·
1 Parent(s): e02675e

Added 29 molecules from epoch 21668 for P23977

Browse files
Files changed (1) hide show
  1. P23977_molecules.csv +29 -0
P23977_molecules.csv CHANGED
@@ -42777,3 +42777,32 @@ rxn:2:90598:142183,COc1ccc(C)cc1CC(NCC=N)c1ccsc1,DYULSVOZLVEUCJ-UHFFFAOYSA-N
42777
  rxn:2:92382:107408,CC(Nc1cn[nH]c1)c1ccc(-c2ccsc2)s1,AIPVCHBOCBIZNP-UHFFFAOYSA-N
42778
  rxn:2:93066:171231,CCOc1cc(C)c(-c2csc(C(C)NCCC#CCN3CCC3)c2)cc1C,BRPKCONARHFKTB-UHFFFAOYSA-N
42779
  rxn:2:97024:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3cscn3)cc2)cs1,MFZABAYLHTVHMG-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
42777
  rxn:2:92382:107408,CC(Nc1cn[nH]c1)c1ccc(-c2ccsc2)s1,AIPVCHBOCBIZNP-UHFFFAOYSA-N
42778
  rxn:2:93066:171231,CCOc1cc(C)c(-c2csc(C(C)NCCC#CCN3CCC3)c2)cc1C,BRPKCONARHFKTB-UHFFFAOYSA-N
42779
  rxn:2:97024:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3cscn3)cc2)cs1,MFZABAYLHTVHMG-UHFFFAOYSA-N
42780
+ rxn:1:60111:2190,CNCC(C)c1cn(I)nn1,SNYCZJUUMOUGJA-UHFFFAOYSA-N
42781
+ rxn:2:100083:170060,Cc1ncc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,GOZWUTVMXMGISF-UHFFFAOYSA-N
42782
+ rxn:2:104755:154103,CSc1cnoc1NC(c1cc[nH]c1)c1ccc2ccccc2c1,FAVWZFLMWALQQL-UHFFFAOYSA-N
42783
+ rxn:2:109392:170060,Cc1cc(-c2ccc(CCC(C)NCc3cccnn3)cc2)cs1,QYRWSVNTPVMPFA-UHFFFAOYSA-N
42784
+ rxn:2:110352:85892,CCNC(CCc1ccc(C)c(C)c1)C1CCCC1,AFUMJLZQFCDYRN-UHFFFAOYSA-N
42785
+ rxn:2:124422:170060,Cc1cc(-c2ccc(CCC(C)NCc3csnn3)cc2)cs1,POSBIWONKLMGNA-UHFFFAOYSA-N
42786
+ rxn:2:125916:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC(S(C)(=N)=O)C3)cc2)cs1,ZDWFSZHRSMLCHY-UHFFFAOYSA-N
42787
+ rxn:2:127204:168989,CCc1cccc(-c2ccc3oc(C(C)NCCCOS(C)(=O)=O)cc3c2)c1,RUULIELKDWQLLK-UHFFFAOYSA-N
42788
+ rxn:2:128000:169412,Cc1csc(-c2ccc(CCC(C)NCCCC3N=N3)cc2)c1,GEYSZYXNBPDSGY-UHFFFAOYSA-N
42789
+ rxn:2:128738:169412,CCn1ccc(CCCNC(C)CCc2ccc(-c3cc(C)cs3)cc2)n1,USAHQGKCUBAZIJ-UHFFFAOYSA-N
42790
+ rxn:2:139656:70192,Cc1ccc(OCCC(C)Nc2cccc3oc(=S)[nH]c23)c(C)c1,YZUYFPQUBHBWET-UHFFFAOYSA-N
42791
+ rxn:2:139798:150277,COc1csc(-c2ccc(CCC(C)NCCCc3cnc4nc[nH]c4c3)cc2)c1,JGFNKVHQBHYSNC-UHFFFAOYSA-N
42792
+ rxn:2:141397:109872,CCc1ccc2c(c1)CCC(NC)C2,FLIJQPINCCYONZ-UHFFFAOYSA-N
42793
+ rxn:2:141397:111441,CNC(C)c1cc2cc(C)c(C)cc2o1,OLSJGKHUDWWYDK-UHFFFAOYSA-N
42794
+ rxn:2:160401:156984,COc1csc(-c2ccc(C(C)NCCC#Cc3cnc4[nH]c(=O)oc4c3)c(C)c2)c1,XAFONUBRESGLRA-UHFFFAOYSA-N
42795
+ rxn:2:65963:170060,Cc1cc(-c2ccc(CCC(C)NCCOCc3cocn3)cc2)cs1,AFULJJOBKXNAGM-UHFFFAOYSA-N
42796
+ rxn:2:66658:97346,C(#Cc1cnoc1)CCNC1CCC(c2ccsc2)CC1,IYLFBRULLNXEEX-UHFFFAOYSA-N
42797
+ rxn:2:68784:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3nccn3C)cc2)c1,PRGYRJYIJVICRJ-UHFFFAOYSA-N
42798
+ rxn:2:72371:142183,C[C@@H](NCC=N)c1csc2ccccc12,FIMQQIWDMJVMIX-SECBINFHSA-N
42799
+ rxn:2:73728:111125,Cc1ccc(CCC(NC2CC2)C2CCCC2)c(C)c1,ZPZVUFXSVUZDQB-UHFFFAOYSA-N
42800
+ rxn:2:76638:170060,Cc1cc(-c2ccc(CCC(C)NCCC#CCN(C)C)cc2)cs1,VMIHSEYIOUBFJM-UHFFFAOYSA-N
42801
+ rxn:2:79984:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)Nc1ccnnc1,QQZLTCLQCAMFAY-UHFFFAOYSA-N
42802
+ rxn:2:87065:170060,CCCc1n[nH]cc1CCNC(C)CCc1ccc(-c2csc(C)c2)cc1,NTPWLUJDQUEGPK-UHFFFAOYSA-N
42803
+ rxn:2:88212:142183,COc1ccc2sc(NCC=N)cc2c1,ZOAQEMHMEDCZHO-UHFFFAOYSA-N
42804
+ rxn:2:88848:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3ncccn3)cc2)cs1,HAXIFGMXMXXELH-UHFFFAOYSA-N
42805
+ rxn:2:94309:142183,CC(NCC=N)c1csc2ccccc12,FIMQQIWDMJVMIX-UHFFFAOYSA-N
42806
+ rxn:2:94862:170060,Cc1cc(-c2ccc(CCC(C)NCc3cc(=O)[nH][nH]3)cc2)cs1,QGQYROCPNIVZFJ-UHFFFAOYSA-N
42807
+ rxn:2:95795:108959,Cc1cnc(CCCNC(C)c2ccc(-c3cccs3)cc2)cn1,JWZHMBAAYKWFHR-UHFFFAOYSA-N
42808
+ rxn:2:98749:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3nc(C)no3)c2)cc1C,BPDSVUPJFXMRRF-UHFFFAOYSA-N