Added 43 molecules from epoch 21655 for P23977

P23977_molecules.csv

@@ -42301,3 +42301,46 @@ rxn:2:84123:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCCCC1(C)N=N1,HHUPGYWJZMWOB
 rxn:2:87876:102373,Cc1ccc(C2CC(NCCC#Cc3cccs3)C2)s1,LVGYEMIYFSAOMB-UHFFFAOYSA-N
 rxn:2:89531:170060,Cc1cc(-c2ccc(CCC(C)NCc3nncs3)cc2)cs1,IGIPXWGYWZZDRB-UHFFFAOYSA-N
 rxn:2:96741:70192,Cc1ccc(OCCC(C)NCc2cocn2)c(C)c1,OTYDLBJXIRHZDR-UHFFFAOYSA-N
+rxn:1:43730:8770,NCc1cn(-c2ccc(Br)cc2I)nn1,PZYGDIOIVPEESJ-UHFFFAOYSA-N
+rxn:1:43756:25795,CC(N)c1cn(-c2ccc(I)cc2F)nn1,HMTDBIUHTXAEKL-UHFFFAOYSA-N
+rxn:1:43756:28754,C[C@H](N)c1cn(-c2ccc(I)cc2F)nn1,HMTDBIUHTXAEKL-LURJTMIESA-N
+rxn:1:65513:31609,CNC[C@H](C)c1ccc(-c2cn(-c3ccc(I)cc3)nn2)cc1,MZUIXRNXOOFNKS-ZDUSSCGKSA-N
+rxn:2:103216:170060,Cc1cc(-c2ccc(CCC(C)NC[C@@H]3CC[C@@H]3c3cnn[nH]3)cc2)cs1,AONASHKJYQNVQJ-XHRKEWCOSA-N
+rxn:2:103972:142183,Cc1c(NCC=N)cccc1-c1cccs1,IJVWFFGQTPZACR-UHFFFAOYSA-N
+rxn:2:118218:108959,CC(NCCCc1cnc2cc[nH]c2c1)c1ccc(-c2cccs2)cc1,JCLQIESOPDNRAC-UHFFFAOYSA-N
+rxn:2:122351:130267,CC(Nc1c[nH]nn1)c1ccc2ccsc2c1,QDYJGMJNGVTJCB-UHFFFAOYSA-N
+rxn:2:122351:169594,CC(Nc1c[nH]nn1)c1ccc2c(ccc3ccccc32)c1,ADYVTIMLPITHGQ-UHFFFAOYSA-N
+rxn:2:122351:78104,CSCC(Nc1c[nH]nn1)c1ccc(C)cc1C,PBNKLBKHJPLTBA-UHFFFAOYSA-N
+rxn:2:125874:108959,CC(NCCCc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccs2)cc1,WXONSKMCTYOQSL-UHFFFAOYSA-N
+rxn:2:127791:137914,CCCC(Cc1ccccc1C)NC1CC(CCSC)C1,PCTQJMNHMFBQPF-UHFFFAOYSA-N
+rxn:2:131377:142183,CC(C)CC[C@@H](NCC=N)c1c[nH]c2ccccc12,ORGVWXUBWRZNQK-MRXNPFEDSA-N
+rxn:2:134984:170060,COc1cc(CCONC(C)CCc2ccc(-c3csc(C)c3)cc2)on1,SGBGMNIBCGSIFC-UHFFFAOYSA-N
+rxn:2:135415:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3c[nH]c(C)n3)cc2)c1,VTTYVQNKBPGKGG-UHFFFAOYSA-N
+rxn:2:135415:170060,Cc1nc(CCCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)c[nH]1,MIIVWEWWRRZYIF-UHFFFAOYSA-N
+rxn:2:141397:159993,CNC1CCc2cc(-c3ccnc(OC)c3)ccc2C1,VJAVQNQOLFOGFL-UHFFFAOYSA-N
+rxn:2:141397:170892,CNC(C)c1ccc(-c2cc3sccc3s2)s1,JDQAKWSUTRQJOL-UHFFFAOYSA-N
+rxn:2:141397:88952,CNC(C)CCCCc1cccs1,ULDVGMXEGXLLDN-UHFFFAOYSA-N
+rxn:2:142234:142183,CCCC[C@@H](NCC=N)c1ccc2c(c1)OC(F)(F)O2,XILYSCAXXCJEJI-LLVKDONJSA-N
+rxn:2:148180:108959,CC(NCC1CC1c1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccs2)cc1,YPRGOTIAVDGESI-UHFFFAOYSA-N
+rxn:2:160401:102373,Cc1ccc(C2CC(NCCC#Cc3cnc4[nH]c(=O)oc4c3)C2)s1,HJRSIRIXAWQOBN-UHFFFAOYSA-N
+rxn:2:67187:171231,CCOc1cc(C)c(-c2csc(C(C)Nc3cncnc3)c2)cc1C,ADVXGGRDJIKLFI-UHFFFAOYSA-N
+rxn:2:67380:96010,CC(NC1CCC2(CC1)CCN(C)CC2)c1ccc(-c2ccsc2)cc1,IOEXUMNERSWGRZ-UHFFFAOYSA-N
+rxn:2:70411:107408,CC(NCC1CC1c1cnc2cc[nH]c2c1)c1ccc(-c2ccsc2)s1,NNTUPZFYUIRKJE-UHFFFAOYSA-N
+rxn:2:70889:170060,Cc1cc(-c2ccc(CCC(C)NCc3ncsn3)cc2)cs1,MEFHYTLEUGNKBT-UHFFFAOYSA-N
+rxn:2:73749:112875,C(#Cc1cn[nH]c1)CCNC1CC(C#Cc2cccs2)C1,DPVBQRZJZKTYDX-UHFFFAOYSA-N
+rxn:2:75149:170060,CCc1noc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)n1,HNDWHODYQOIGHY-UHFFFAOYSA-N
+rxn:2:75442:169115,CC#CCCNC1CCC(c2ccc(-c3ccc(C)s3)cc2)CC1,CXEVFOAASWQTOP-UHFFFAOYSA-N
+rxn:2:75442:85300,CC#CCCNC1CC2(Cc3ccccc3C2)C1,REVUZSNQSFWSJL-UHFFFAOYSA-N
+rxn:2:78991:170060,CCc1nc(C)c(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)[nH]1,MLAQFZCJJKPLPS-UHFFFAOYSA-N
+rxn:2:79379:169412,Cc1csc(-c2ccc(CCC(C)NCCCOc3ncccn3)cc2)c1,PSXHDANRMCQQBB-UHFFFAOYSA-N
+rxn:2:87202:104330,Cc1cc(-c2cc[nH]c2)ccc1C(C)NCCc1cn[nH]c1,HZQWNXCMPFSODT-UHFFFAOYSA-N
+rxn:2:87876:142183,N=CCNCCC#Cc1cccs1,PBPDJCXCMAIMLV-UHFFFAOYSA-N
+rxn:2:89554:111147,CC(NCC#Cc1cnc2nc[nH]c2c1)c1ccc(-c2nccs2)cc1,ZPTWZUCBOGUTPV-UHFFFAOYSA-N
+rxn:2:91779:112875,O=c1[nH]c2ccc(CCCNC3CC(C#Cc4cccs4)C3)cc2o1,JALXJLJHMVHBLT-UHFFFAOYSA-N
+rxn:2:92475:142183,COc1ccc(-c2csc(C(C)NCC=N)c2)cc1,OPTMQYZUDWZBJW-UHFFFAOYSA-N
+rxn:2:95026:142183,Cc1ccc(C#CCNCC=N)cc1C,FCYHYBLWTXZDPS-UHFFFAOYSA-N
+rxn:2:95035:142183,N=CCNc1cc(-c2ccccc2)cs1,SKOSDZMEBCQDMS-UHFFFAOYSA-N
+rxn:2:97081:170060,CCC(C)C(NC(C)CCc1ccc(-c2csc(C)c2)cc1)c1nc[nH]n1,MUDBSMVYLAXIFQ-UHFFFAOYSA-N
+rxn:2:97543:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCc1nnn[nH]1,VFOSZTLZONPLLE-UHFFFAOYSA-N
+rxn:2:97900:94292,CCC(Nc1n[nH]c2[nH]ncc12)c1ccc(-c2sccc2C)s1,AZEKJTIPVXRYFU-UHFFFAOYSA-N
+rxn:2:97980:70192,Cc1ccc(OCCC(C)Nc2ccsn2)c(C)c1,XYXSVUZBVNPZID-UHFFFAOYSA-N