Added 33 molecules from epoch 21566 for Q01959
Browse files- Q01959_molecules.csv +33 -0
Q01959_molecules.csv
CHANGED
|
@@ -24810,3 +24810,36 @@ rxn:2:84871:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3cnccn3)cc2)cs1,DEHIALPMSACKHT-UH
|
|
| 24810 |
rxn:2:87255:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCC3CN(C)C3)c2)cc1C,CPXGHKCHEILQBV-UHFFFAOYSA-N
|
| 24811 |
rxn:2:92548:170060,Cc1cc(-c2ccc(CCC(C)NC3CCCN(c4cn[nH]c(=O)c4)C3)cc2)cs1,OTFTWJDMGIZZRW-UHFFFAOYSA-N
|
| 24812 |
rxn:2:99849:171231,CCOc1cc(C)c(-c2csc(C(C)NCCOCc3c[nH]cn3)c2)cc1C,AMFQJEQPTMJVAN-UHFFFAOYSA-N
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 24810 |
rxn:2:87255:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCC3CN(C)C3)c2)cc1C,CPXGHKCHEILQBV-UHFFFAOYSA-N
|
| 24811 |
rxn:2:92548:170060,Cc1cc(-c2ccc(CCC(C)NC3CCCN(c4cn[nH]c(=O)c4)C3)cc2)cs1,OTFTWJDMGIZZRW-UHFFFAOYSA-N
|
| 24812 |
rxn:2:99849:171231,CCOc1cc(C)c(-c2csc(C(C)NCCOCc3c[nH]cn3)c2)cc1C,AMFQJEQPTMJVAN-UHFFFAOYSA-N
|
| 24813 |
+
rxn:2:101439:156984,COc1cnc(C#CCNC(C)c2ccc(-c3cc(OC)cs3)cc2C)nc1,QLIOORJWYDQRHS-UHFFFAOYSA-N
|
| 24814 |
+
rxn:2:103818:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnc4[nH]ncc4c3)cc2)cs1,AKLRFWLHSGUHHO-UHFFFAOYSA-N
|
| 24815 |
+
rxn:2:105077:142183,CC1(c2ccc3c(c2)CCCS3)CC1NCC=N,SYAXIZANBMQMLQ-UHFFFAOYSA-N
|
| 24816 |
+
rxn:2:105246:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCC(C)OC)c2)cc1C,NJKMDZKHLPIDNV-UHFFFAOYSA-N
|
| 24817 |
+
rxn:2:106675:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NC1CCc2[nH]cnc2C1,AVTYNEBUQMKMHY-UHFFFAOYSA-N
|
| 24818 |
+
rxn:2:107302:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)Nc1cnn(C2CC2)n1,JEJFJGBJIAWGDC-UHFFFAOYSA-N
|
| 24819 |
+
rxn:2:120105:171231,CCOCc1nc(CNC(C)c2cc(-c3cc(C)c(OCC)cc3C)cs2)no1,KLFPBHIDSCJMJS-UHFFFAOYSA-N
|
| 24820 |
+
rxn:2:124248:152446,CCS(=O)(=O)Cc1c(NC(C)c2ccc(C#Cc3ccccc3)cc2)cnn1C,CCIHALVZTZDGRS-UHFFFAOYSA-N
|
| 24821 |
+
rxn:2:132946:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCS(C)(=N)=O)c2)cc1C,VDMOFBZJSHXEEI-UHFFFAOYSA-N
|
| 24822 |
+
rxn:2:134689:169412,Cc1csc(-c2ccc(CCC(C)NCCCC3CCN(C)CC3)cc2)c1,QFDSPQHYUSKYPZ-UHFFFAOYSA-N
|
| 24823 |
+
rxn:2:136495:123403,Cc1ccc2cc(C(C)N[C@@H]3CCO[C@@H](c4cccs4)C3)sc2c1,BDMJGPRTPNZEFH-VNCLPFQGSA-N
|
| 24824 |
+
rxn:2:138255:100235,Cc1ccc2oc(C(C)N[C@H]3CC[C@@H](CCN(C)C)CC3)cc2c1,WEYNPXFMDKMSQF-FGQQEBQWSA-N
|
| 24825 |
+
rxn:2:138805:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCCOC)c2)cc1C,HRHDTBZNIRTUJY-UHFFFAOYSA-N
|
| 24826 |
+
rxn:2:139991:169412,CCCC(NC(C)CCc1ccc(-c2cc(C)cs2)cc1)c1nnn[nH]1,DGWMIBLEKIHBOT-UHFFFAOYSA-N
|
| 24827 |
+
rxn:2:140908:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3cnoc3)c2)cc1C,KNYWJZZQCGLVMJ-UHFFFAOYSA-N
|
| 24828 |
+
rxn:2:141397:170692,CNC(C)c1cccc(-c2cc3ccccc3s2)c1,MEYZNOIMEWRKGB-UHFFFAOYSA-N
|
| 24829 |
+
rxn:2:152693:142183,Cc1cc2nc3c(c(C(C)NCC=N)c2cc1C)CCC3,MJWSMDFWKAISEQ-UHFFFAOYSA-N
|
| 24830 |
+
rxn:2:166241:109025,Cc1csc(-c2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)cs2)c1,PIVPAWJISDPWJU-UHFFFAOYSA-N
|
| 24831 |
+
rxn:2:166241:110334,Cc1ccc2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)ccc2c1,DSYRSYKUIAECBO-UHFFFAOYSA-N
|
| 24832 |
+
rxn:2:69619:118142,Cc1cccc2c(C(C)NC[C@H]3CC[C@H](CN4CCCC4)CC3)coc12,XGFNIWHCOGLZHU-JUUMZCOKSA-N
|
| 24833 |
+
rxn:2:70925:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3ccc[nH]3)cc2)c1,SIEOTXRQTXKWPX-UHFFFAOYSA-N
|
| 24834 |
+
rxn:2:76625:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCC#Cc1cnc[nH]1,HGZPPPSMMPFYDF-UHFFFAOYSA-N
|
| 24835 |
+
rxn:2:81401:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3ccon3)c2)cc1C,ZZJIZHJIVBFXLO-UHFFFAOYSA-N
|
| 24836 |
+
rxn:2:81895:170060,Cc1cc(-c2ccc(CCC(C)NCCOc3cc(C)n(C)c(=O)c3)cc2)cs1,XDJPEXXIAVHRDZ-UHFFFAOYSA-N
|
| 24837 |
+
rxn:2:83476:125117,Cc1ccc(-c2ccc(C(C)NC3CCOC(C4CCCC4)C3)cc2)o1,LSYJEQLINXETAN-UHFFFAOYSA-N
|
| 24838 |
+
rxn:2:87065:170060,CCCc1n[nH]cc1CCNC(C)CCc1ccc(-c2csc(C)c2)cc1,NTPWLUJDQUEGPK-UHFFFAOYSA-N
|
| 24839 |
+
rxn:2:87971:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)N[C@H]1CC[C@H](CCN(C)C)CC1,GCGTWMSFBJBTSL-OIFYPAEGSA-N
|
| 24840 |
+
rxn:2:88304:171426,CCC(Nc1ccno1)c1ccc(-c2cc(C)c(OC)cc2C)s1,SEONZLZOTQUSDP-UHFFFAOYSA-N
|
| 24841 |
+
rxn:2:89454:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3cc[nH]n3)cc2)c1,UFINBMJFVYQJKE-UHFFFAOYSA-N
|
| 24842 |
+
rxn:2:91094:142183,Cc1cc(C)c(C2CC(NCC=N)C2)cc1C,QSGPZBONOOFXNY-UHFFFAOYSA-N
|
| 24843 |
+
rxn:2:94402:104467,CC(NCC1CCC(CN2CCCC2)CC1)c1csc2ccccc12,ZRHJNHFWWDKCED-UHFFFAOYSA-N
|
| 24844 |
+
rxn:2:94439:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3cncn3C)cc2)c1,YMRQYAPXEZNVBO-UHFFFAOYSA-N
|
| 24845 |
+
rxn:2:97543:146828,CSCC(NCCc1nnn[nH]1)c1ccc2cc(C)ccc2c1,GWNGOKIXLBHGAS-UHFFFAOYSA-N
|