Added 33 molecules from epoch 22110 to Q63380_molecules.csv

Q63380_molecules.csv

@@ -10678,3 +10678,36 @@ rxn:2:113171:110334,Cc1ccc2cc(C(C)NCCCc3cnn[nH]3)ccc2c1,PJEYEFRAPXAYRS-UHFFFAOYS
 rxn:2:141397:134317,CNC(CCC(C)C)Cc1cccc(C)c1,CECSYZNOQVKTGY-UHFFFAOYSA-N
 rxn:2:150747:128669,Cc1ccc(C2CCC(NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1,YTPKZWATEALDOE-UHFFFAOYSA-N
 rxn:2:141397:171246,CNC(C)c1ccc(-c2ccc(-c3ccco3)cc2)cc1C,NMISRJKXVPEFGI-UHFFFAOYSA-N
+rxn:2:160401:159692,O=c1[nH]c2ncc(C#CCCNC3CCc4cc(-c5cccs5)ccc43)cc2o1,TWMQHXLMKPENAK-UHFFFAOYSA-N
+rxn:2:150747:142192,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cccs2)cn1,WBMFBSSVZJRYFC-UHFFFAOYSA-N
+rxn:2:97024:95801,Cc1cc(C(C)NCCC#Cc2cscn2)ccc1-c1cc[nH]c1,ZPZNXUDNSGTFFZ-UHFFFAOYSA-N
+rxn:2:124198:110985,Cc1nc(-c2ccsc2)sc1C(C)NCCC#Cc1ccsc1,DPKUAQUOFGPEKQ-UHFFFAOYSA-N
+rxn:2:108186:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3cnc4nc[nH]c4c3)cc2)cs1,NJSPWWXFFBPAOO-UHFFFAOYSA-N
+rxn:2:110352:169305,CCNC(C)c1ccc(-c2cc3ccccc3o2)cc1C,SUTGYCULMJGBRO-UHFFFAOYSA-N
+rxn:2:93219:168058,COc1ccc2c(c1)CCc1cc(C(C)NCCSCc3ccncc3)ccc1-2,JZNIPZGISBIJGS-UHFFFAOYSA-N
+rxn:2:122923:173095,CC(NCCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2sc3ccccc3c2c1,BLWGCPXZUDZAMV-UHFFFAOYSA-N
+rxn:2:164315:110041,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1csc(-c2ccsc2)c1,YDKYIIRKJWEEEN-UHFFFAOYSA-N
+rxn:2:156072:139886,CC(NCC#Cc1ccc2[nH]c(=O)oc2c1)c1ccc(-c2ccco2)cc1,WMQIQAAJTVNYRU-UHFFFAOYSA-N
+rxn:2:145665:142183,N=CCNC(Cc1ccc2[nH]ccc2c1)c1cnsc1,YJEXNNVNVXGNDR-UHFFFAOYSA-N
+rxn:2:104748:170892,CC(NCCc1c[nH]cn1)c1ccc(-c2cc3sccc3s2)s1,WNTQVHSTBXEMQK-UHFFFAOYSA-N
+rxn:2:127150:108959,CC(NCC1CCC(CN(C)C)CC1)c1ccc(-c2cccs2)cc1,OIVVURIWGYGEJZ-UHFFFAOYSA-N
+rxn:2:78535:141988,Cc1cc(-c2ccc(C(C)NCC#Cc3cnc4cn[nH]c4c3)s2)cs1,WNCIEJFLUNJRQD-UHFFFAOYSA-N
+rxn:2:97946:96010,CC(NCCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)cc1,DPQAXNGFXCLXEO-UHFFFAOYSA-N
+rxn:2:140720:123403,Cc1ccc2cc(C(C)NCC#Cc3csc(Cn4cccn4)c3)sc2c1,WFVRPGWECBYLOX-UHFFFAOYSA-N
+rxn:2:97946:90126,CC(NCCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccsc2)cn1,GVUBDRNHABXJQL-UHFFFAOYSA-N
+rxn:2:125198:170858,Cc1csc(-c2ccc(C(C)NCCn3ncnn3)cc2C)c1,NVNPFFADJJLSOX-UHFFFAOYSA-N
+rxn:2:162493:113626,CC(NCC#Cc1ccc2c(=O)[nH]cnc2c1)c1ccc(-c2cc[nH]c2)s1,KOLNRIQETWBXDT-UHFFFAOYSA-N
+rxn:2:117865:172618,CC(NCCC#Cc1cnc(N(C)C)nc1)c1cc(-c2cc3sccc3s2)cs1,GXIDEJSPUYLLGT-UHFFFAOYSA-N
+rxn:2:139105:96010,CC(NCCC#Cc1ncc[nH]1)c1ccc(-c2ccsc2)cc1,PHWNWKXHYHOACZ-UHFFFAOYSA-N
+rxn:2:127621:156984,COc1csc(-c2ccc(C(C)NCCC3CC3c3cnc4nc[nH]c4c3)c(C)c2)c1,VZERDJWEEPTKOV-UHFFFAOYSA-N
+rxn:1:64028:814,COCC(=O)NCc1cn(CC2CC(=O)N(CCO)C2)nn1,PIWMEZJZOSMLQX-UHFFFAOYSA-N
+rxn:2:72913:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCC#Cc1ncccn1,FEVPLRDCMWOUEW-UHFFFAOYSA-N
+rxn:2:124198:137603,Cc1cccc(C2CCC(NCCC#Cc3ccsc3)C2)c1,XLNJKQCTEYLGII-UHFFFAOYSA-N
+rxn:2:173047:142183,N=CCNc1cccc2c1ccc1c3ccccc3ccc21,ZIFKXXVDSSMUFU-UHFFFAOYSA-N
+rxn:2:112154:108959,CC(NCC#Cc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cccs2)cc1,OFCNJGHQZHPBMJ-UHFFFAOYSA-N
+rxn:2:70555:170411,CCSc1ccc(-c2ccc(C(C)NCCc3cnc(OC)nc3)c(C)c2)cc1,XOQJKOMHNSMYGX-UHFFFAOYSA-N
+rxn:2:112079:161103,CSc1ncc(CCCNC(C)c2ccc3c(c2)Cc2ccccc2-3)cn1,WYYHXOYPNOPDIR-UHFFFAOYSA-N
+rxn:2:142622:141988,Cc1cc(-c2ccc(C(C)NCCC#Cc3ccc4[nH]c(=O)sc4c3)s2)cs1,VAHBMEWZWNEJQG-UHFFFAOYSA-N
+rxn:2:111985:83009,CC(NCCCc1cc[nH]n1)c1cc2ccccc2s1,HZWYPOHIPRARCN-UHFFFAOYSA-N
+rxn:2:113575:110041,CC(NCCOc1ccc(-c2ncncn2)cc1)c1csc(-c2ccsc2)c1,HQDFESMUUQZVDI-UHFFFAOYSA-N
+rxn:2:69663:148477,CC(NCCCc1ccccn1)c1ccc2c(c1)CCc1ccccc1-2,WHNYJMZVXYIEKB-UHFFFAOYSA-N