Added 46 molecules from epoch 21630 for Q01959

Q01959_molecules.csv

@@ -27055,3 +27055,49 @@ rxn:2:90345:169739,CCOc1ccc(-c2ccc(C(C)N[C@H]3COC[C@@H](OC)C3)c(C)c2)cc1C,PUXLSB
 rxn:2:91999:171492,COCCO[C@H]1C[C@H](NC(C)c2ccc(-c3cc4ccccc4s3)cc2)C1,NJJDOZBNSSGXFZ-USEYMLRUSA-N
 rxn:2:93577:169412,COCO[C@H]1CC[C@H](NC(C)CCc2ccc(-c3cc(C)cs3)cc2)CC1,YQNDSOOQTQIPDQ-ZIQGHWNSSA-N
 rxn:2:97900:173095,CC(Nc1n[nH]c2[nH]ncc12)c1ccc2sc3ccccc3c2c1,DSVKAUFSEDMXBT-UHFFFAOYSA-N
+rxn:1:41904:24341,CNC1CC1c1ccc(-c2cn(CC#Cc3ccsc3)nn2)cc1,VLUDPPMMOYBNAQ-UHFFFAOYSA-N
+rxn:1:54632:723,[Na]c1cn(Cc2cccc(Br)c2)nn1,KTOBNKIBAHURPJ-UHFFFAOYSA-N
+rxn:2:104781:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCCc3cc(OC)no3)ccc1-2,ODDLHVZWPCKIQZ-UHFFFAOYSA-N
+rxn:2:104781:169739,CCOc1ccc(-c2ccc(C(C)NCCCc3cc(OC)no3)c(C)c2)cc1C,JVQYZYFYWCLWBC-UHFFFAOYSA-N
+rxn:2:107952:171231,CCOc1cc(C)c(-c2csc(C(C)NC3CCC(SC)C3)c2)cc1C,CTOOYOSCTSORQZ-UHFFFAOYSA-N
+rxn:2:109052:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NC[C@@H]1[C@H]2COC[C@@H]12,IYQDKKJYQKCNRN-RAHHUNTMSA-N
+rxn:2:110352:110310,CCCCC(NCC)c1ccc2ccccc2c1,JDOKSFHBPWHJEA-UHFFFAOYSA-N
+rxn:2:110352:146724,CCNC(COc1ccc2ccc(=O)oc2c1)c1ccccc1,KWHSKQZMCFHYHD-UHFFFAOYSA-N
+rxn:2:112728:152446,CC(NCCc1cc[nH]n1)c1ccc(C#Cc2ccccc2)cc1,JDRQEJLALDESTL-UHFFFAOYSA-N
+rxn:2:113345:172189,Cc1cc(-c2ccc(C3CCC(NCCc4cnc5c(c4)nnn5C)CC3)cc2)cs1,OTDNPLMUZFJQNU-UHFFFAOYSA-N
+rxn:2:114509:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCC#Cc1cnn(C)c1,VEMWMNGWTUYGNM-UHFFFAOYSA-N
+rxn:2:116943:142183,CC#CCOc1ccc(NCC=N)cc1,XHDPOFRIVZDIOD-UHFFFAOYSA-N
+rxn:2:127204:170813,CCC(NCCCOS(C)(=O)=O)c1ccc(-c2cc3cc(OC)ccc3o2)cc1,WOMOSXFWTKMJJQ-UHFFFAOYSA-N
+rxn:2:129242:115754,CSCC(N[C@H]1C[C@@H](c2ncc[nH]2)C1)c1ccc2c(c1)CCCS2,ZHUNASNBXCHQJI-SJPCQFCGSA-N
+rxn:2:129374:170060,Cc1cc(-c2ccc(CCC(C)NCC(C3CC3)S(C)(=O)=O)cc2)cs1,FEHPEPCQXMDPCM-UHFFFAOYSA-N
+rxn:2:130089:170502,Cc1cccc(-c2ccc(-c3ccc(C(C)NCCS(=O)(=O)[O-])s3)cc2)c1,MXTLEMXOHFUEKL-UHFFFAOYSA-M
+rxn:2:131974:169666,CC(NCCCc1cnccn1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,UCPYNQVKOOYJJF-UHFFFAOYSA-N
+rxn:2:132899:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1nncs1,OGVCIWDQVLTFRK-UHFFFAOYSA-N
+rxn:2:134961:170060,Cc1cc(-c2ccc(CCC(C)NCC(C)Oc3nccnc3C)cc2)cs1,YFFFXHLDBOPSDY-UHFFFAOYSA-N
+rxn:2:137922:96010,CCOc1ncc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)cn1,PARSCSFLUVXALI-UHFFFAOYSA-N
+rxn:2:138592:99556,Cc1ccc(OC2CCC(NC(C)c3ccc(-c4ccsc4)cc3)CC2)nn1,VYUQYYIIINEEQP-UHFFFAOYSA-N
+rxn:2:139357:172893,Cc1cc(-c2ccc3sccc3c2)ccc1C(C)Nc1nnco1,VYPKYRHDGCUUCW-UHFFFAOYSA-N
+rxn:2:139383:170235,Cc1cccc(-c2ccc3oc(C(C)NCCCCc4cn(C)cn4)cc3c2)c1,SCVSLMAOOKCCBP-UHFFFAOYSA-N
+rxn:2:141555:170858,Cc1csc(-c2ccc(C(C)NC3CCC(CC4CCCN(C)C4)CC3)cc2C)c1,KBKFXQJNGOSHGI-UHFFFAOYSA-N
+rxn:2:142221:83505,CSC1CCCC(N[C@H](C)COc2ccc(C)cc2C)C1,RPMUUXLZERRFCR-KLAILNCOSA-N
+rxn:2:162869:128413,Cc1nc2cc(C(C)NCC#Cc3ccc4c(ccn4C)c3)ccc2s1,QZBGTWFLCWIGTD-UHFFFAOYSA-N
+rxn:2:67192:170060,CCc1cnc(OCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nc1,KEJVXUPEJLBLES-UHFFFAOYSA-N
+rxn:2:68496:129880,Cc1nc(-c2cccs2)ccc1C(C)NCc1cc(-c2ccsc2)n[nH]1,CMDMGVRBDJYGHC-UHFFFAOYSA-N
+rxn:2:72890:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCCCc1c[nH]cn1,JCFUCSVLKYGSAQ-UHFFFAOYSA-N
+rxn:2:74215:173089,COc1cccnc1OCCNC(C)c1ccc(-c2cc3sccc3s2)cc1C,XYSKZZAPOURGPR-UHFFFAOYSA-N
+rxn:2:75557:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCCc1nnn[nH]1,HSMGTJVUMQQTRW-UHFFFAOYSA-N
+rxn:2:80294:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3cc(C)[nH]c3C)cc2)c1,OPAWDDVVIFXJSG-UHFFFAOYSA-N
+rxn:2:81263:152446,CSCc1cncc(NC(C)c2ccc(C#Cc3ccccc3)cc2)c1,ZARABTNFHSXSEX-UHFFFAOYSA-N
+rxn:2:82735:170060,Cc1cc(-c2ccc(CCC(C)N[C@@H]3CCO[C@@H](c4cccnc4)C3)cc2)cs1,NAKMZUXUYLGTSJ-XTEKXTAFSA-N
+rxn:2:84123:108959,CC(NCCCCC1(C)N=N1)c1ccc(-c2cccs2)cc1,RSJFNFPZQNEBAE-UHFFFAOYSA-N
+rxn:2:87646:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NOC1CCCOC1,DFJCVQXLMRHCKS-UHFFFAOYSA-N
+rxn:2:91909:104330,Cc1cscc1C#CCNC(C)c1ccc(-c2cc[nH]c2)cc1C,VKTMLQWDELWNDH-UHFFFAOYSA-N
+rxn:2:92067:97563,CCOc1ccc(C(CC)N[C@H]2CCC[C@@H](F)C2)cc1C,IQEPAKYBRKXGNJ-GARXDOFDSA-N
+rxn:2:93080:173089,COc1nccc(NC(C)c2ccc(-c3cc4sccc4s3)cc2C)n1,NVGNOUMDTZARCK-UHFFFAOYSA-N
+rxn:2:93644:152911,CC(Nc1cn[nH]n1)c1ccc(-c2ccc3ncsc3c2)c2c1OCO2,KCNVLKFUBFXNIL-UHFFFAOYSA-N
+rxn:2:94402:117667,Cc1c(C(C)NCC2CCC(CN3CCCC3)CC2)sc2ccccc12,CKALEUBNCMDQOV-UHFFFAOYSA-N
+rxn:2:94862:169412,Cc1csc(-c2ccc(CCC(C)NCc3cc(=O)[nH][nH]3)cc2)c1,DFQGEFAUDGBBPI-UHFFFAOYSA-N
+rxn:2:96838:172375,CC(NC1COCOC1)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,FFWSFHFPWNXNHZ-UHFFFAOYSA-N
+rxn:2:97063:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCSc1cnn[nH]1,ZOPOHEFSUGQNGM-UHFFFAOYSA-N
+rxn:2:97318:170235,Cc1cccc(-c2ccc3oc(C(C)NCCc4cocn4)cc3c2)c1,GEUYUVZXMIZZNR-UHFFFAOYSA-N
+rxn:2:98818:123403,Cc1ccc2cc(C(C)NCC(C)C3CCCc4c3ncn4C)sc2c1,QRFRDSCLUJXCCH-UHFFFAOYSA-N