Added 41 molecules from epoch 20793 for P23977

P23977_molecules.csv

@@ -41325,3 +41325,44 @@ rxn:2:87227:89044,Cc1cc2c(NC3CC4C(C3)C4(C)C)c[nH]c2c(C)n1,DSKAJSTXUMZRGC-UHFFFAO
 rxn:2:87560:71276,Cc1cc(CNC(C)c2cnc3[nH]ncc3c2)c(C)s1,HEQMUGIHNDNDPK-UHFFFAOYSA-N
 rxn:2:90720:109355,Cc1cc(NC(c2cn[nH]c2)c2cccs2)c2[nH]cnc2c1,KJJWBIDKTCEHMA-UHFFFAOYSA-N
 rxn:2:97900:135854,Cc1csc2sc(C(C)Nc3n[nH]c4[nH]ncc34)c(C)c12,GFBKZSXBGDSAOT-UHFFFAOYSA-N
+rxn:1:41495:31957,Cc1cc(Cl)ccc1-n1cc(-c2cnc(F)cc2N)nn1,QUFKOLCDLBGGEN-UHFFFAOYSA-N
+rxn:1:41745:11720,CC(C)(CN)Cc1cn(-c2ccc(Cl)c(Br)c2)nn1,ZHGNPFAGFWOSAH-UHFFFAOYSA-N
+rxn:1:41865:31580,N#Cc1cnc(N)c(-c2cn(CC=Cc3ccc(I)o3)nn2)c1Cl,PIWZXUQVGHGJRC-UHFFFAOYSA-N
+rxn:1:42013:3123,Fc1ncccc1C#CCn1cc(-c2cc(Br)cnc2Br)nn1,FIJOFFGKZOMRRK-UHFFFAOYSA-N
+rxn:1:45279:5448,Nc1ncnc2[nH]cc(C#CCCn3cc(-c4nc(Br)cs4)nn3)c12,YRXOMAXWXWLFAN-UHFFFAOYSA-N
+rxn:1:51953:1155,Nc1cc(F)cnc1C1CC1CCn1cc(-c2cc(Br)c(Br)s2)nn1,KWIPYTDKDUNQGZ-UHFFFAOYSA-N
+rxn:1:53551:23520,Cc1ccnc2oc(-c3cn(-c4ccc(Br)cn4)nn3)c(N)c12,FTBDMDPUKISQOZ-UHFFFAOYSA-N
+rxn:1:54930:6997,SCC1CC1c1cccc(-n2cc(-c3ncnc4[nH]cnc34)nn2)c1,MSDNLTRGBXRUDH-UHFFFAOYSA-N
+rxn:1:54937:38814,Nc1c(Br)cncc1-c1cn(CC2CC2c2ccsc2)nn1,ISUKFCKBJZQVHK-UHFFFAOYSA-N
+rxn:1:55316:3249,Nc1cc(Cl)ncc1C1CC1Cn1cc(-c2ncc(Br)s2)nn1,ZCDXXJBNXDJDGU-UHFFFAOYSA-N
+rxn:1:55793:7112,CC(CCBr)c1cn(-c2cccc(C=O)c2)nn1,GHOLXOUVKXPZLD-UHFFFAOYSA-N
+rxn:1:56986:31436,O=Cc1cc(-c2cn(-c3cccc(CCCS)c3)nn2)ccn1,ADZHPWLAQOYUCE-UHFFFAOYSA-N
+rxn:1:57011:23564,CNc1sc(-c2cn(CCCc3cscc3Br)nn2)c(N)c1C#N,ORRMZTSHCIVOEG-UHFFFAOYSA-N
+rxn:1:57013:0,CC(C)(N)c1cn(CCCc2ccc(Br)s2)nn1,VQWMKXBONKESRK-UHFFFAOYSA-N
+rxn:1:57397:8557,Cc1ccnc(CCCn2cc(-c3csc(Br)c3)nn2)c1N,STVBCYXUYPSVRV-UHFFFAOYSA-N
+rxn:1:58687:3947,Cc1nc(Cl)nc(N)c1-c1cn(CCCCc2cscc2Br)nn1,FIPMKEUKOWCVBN-UHFFFAOYSA-N
+rxn:1:59915:238,CCOc1cncc(-c2cn(Cc3sc(Br)cc3Br)nn2)c1,DWRCZOZXNRPSQX-UHFFFAOYSA-N
+rxn:1:59915:32049,COc1cc(-c2cn(Cc3sc(Br)cc3Br)nn2)cnc1CN,SIAFOKGWBZVRHA-UHFFFAOYSA-N
+rxn:1:59985:23561,Cc1cc(C)c2c(N)c(-c3cn([C@@H]4CC[C@H]4I)nn3)oc2n1,QLOIGRINCIYCFP-MWLCHTKSSA-N
+rxn:1:59985:37344,CC(O)C=Cc1cccc(-c2cn([C@@H]3CC[C@H]3I)nn2)c1F,BATQFCPYZFDTKV-SKNXHYNKSA-N
+rxn:1:61370:22800,CC(C)Cc1nn(-c2cncc(-c3cn(CC=O)nn3)c2)c(I)c1Br,HJKQSHNYBJNZCJ-UHFFFAOYSA-N
+rxn:1:62140:22923,FC(F)n1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3I)c2)nn1,UOALALZFQYYWAI-UHFFFAOYSA-N
+rxn:1:62565:18723,Cc1cnc(-c2cn(-c3ccnc4[nH]cc(I)c34)nn2)cc1C1CC1,OGWHVYJPXKRWCQ-UHFFFAOYSA-N
+rxn:1:62565:6378,CCc1cc(-c2cn(-c3ccnc4[nH]cc(I)c34)nn2)ncn1,DCEAPRRMJLJXDH-UHFFFAOYSA-N
+rxn:1:62688:38811,Cc1nc2cccnn2c1-c1cn(-c2cc(I)cc(I)c2I)nn1,NABPNJLNSRXBHS-UHFFFAOYSA-N
+rxn:1:64149:31930,Cc1cncc(-c2cn(Cc3ccc(I)cc3)nn2)c1N,JGUGVTXQQMANAP-UHFFFAOYSA-N
+rxn:1:65679:37717,Cc1n[nH]c2ncc(-c3cn(CC=Cc4ccc(Cl)s4)nn3)cc12,FFYUKXCQSRCBLI-UHFFFAOYSA-N
+rxn:2:107810:111364,CSc1ccc(NC(C)c2cnc3sccc3c2)cn1,JCUXOIDFYIJHEJ-UHFFFAOYSA-N
+rxn:2:121887:106051,CC(NCC1CC1c1ccsc1)c1nccc2[nH]ncc12,HQVYXQHDVDRSAM-UHFFFAOYSA-N
+rxn:2:124198:142194,CC(NCCC#Cc1ccsc1)c1ccc2n[se]nc2c1,KXKCTGKRXPSYAJ-UHFFFAOYSA-N
+rxn:2:129761:82693,CCc1c(NC2CCCc3ncsc32)ccc2nc[nH]c12,BLUSDBGQHOUCDC-UHFFFAOYSA-N
+rxn:2:138562:71586,O=c1ccc(-c2cc(NC3CC(c4ccsc4)C3)n[nH]2)n[nH]1,NIMWNEHLKRZXBX-UHFFFAOYSA-N
+rxn:2:141498:71450,Cc1cc2nc[nH]c2cc1NC1CCC(C)c2ccsc21,FMAYRQHFMNEGFL-UHFFFAOYSA-N
+rxn:2:144253:100408,CC[C@H]1CCCC(Nc2cc3[nH]c(=O)[nH]c3c(C)c2C)C1,NMVWZFCUHWUDCP-UEWDXFNNSA-N
+rxn:2:144253:89477,CC[C@@H]1CCCC(Nc2cc3[nH]c(=O)[nH]c3c(C)c2C)C1,NMVWZFCUHWUDCP-PZORYLMUSA-N
+rxn:2:76630:68388,c1cc(C2CC(NC3c4sccc4-c4ccsc43)C2)ccn1,MCIOCYKJPAHBKA-UHFFFAOYSA-N
+rxn:2:88864:71586,COc1cc(NC2CC(c3ccsc3)C2)cc2ccncc12,GXSKGXQTBWAYBW-UHFFFAOYSA-N
+rxn:2:92663:110880,Cc1sccc1NC(C)c1cc(C)c2nncn2c1,GBFNGBPLZKYKPJ-UHFFFAOYSA-N
+rxn:2:93954:116773,Cc1ncsc1C(C)NC1Cc2cscc2C1,MVRNPHLVUVMIIP-UHFFFAOYSA-N
+rxn:2:95782:71586,c1cnc2sc(NC3CC(c4ccsc4)C3)cc2n1,DGROZEYITKACJE-UHFFFAOYSA-N
+rxn:2:96762:83322,Cc1ncc2ncc(NC3CCC4(CC3)SCCS4)cc2n1,JPNKFJRPLXKBCO-UHFFFAOYSA-N