Added 36 molecules from epoch 21657 for P23977

P23977_molecules.csv

@@ -42381,3 +42381,39 @@ rxn:2:87876:112875,C(#Cc1cccs1)CCNC1CC(C#Cc2cccs2)C1,ZTPLDEUXTGMBJT-UHFFFAOYSA-N
 rxn:2:89063:71586,c1cc2cc(C3CC3CCNC3CC(c4ccsc4)C3)ccc2[nH]1,XSQJFOYMZJJLGZ-UHFFFAOYSA-N
 rxn:2:89615:152446,CC(NCCc1ncccn1)c1ccc(C#Cc2ccccc2)cc1,KXVUKOISZIVJQE-UHFFFAOYSA-N
 rxn:2:92749:146828,CSCC(Nc1nnn[nH]1)c1ccc2cc(C)ccc2c1,JRYAHJFVOJJZLZ-UHFFFAOYSA-N
+rxn:2:101439:68807,COc1cnc(C#CCNC(C)c2ccc(-c3sccc3C)s2)nc1,CUMQNLLUDBEJRL-UHFFFAOYSA-N
+rxn:2:106940:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCc1ncno1,JLYOUGRUTZAWOE-UHFFFAOYSA-N
+rxn:2:108432:170060,Cc1cc(-c2ccc(CCC(C)NCCC(C)S(C)(=N)=O)cc2)cs1,GUBZPCZPZZNAOM-UHFFFAOYSA-N
+rxn:2:109607:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCCCC1N=N1,DLTXAGZWMUBYCG-UHFFFAOYSA-N
+rxn:2:110352:150431,CCNC(Cc1ccncc1)c1ccc2ccccc2c1,VMYKWQJSALWZKT-UHFFFAOYSA-N
+rxn:2:112020:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccc4[nH]nnc4c3)cc2)cs1,ZPZSTKMIQJQNOG-UHFFFAOYSA-N
+rxn:2:112958:142183,Cc1ccc(C)c(C#CCCNCC=N)c1,AYDZAYLDSGBTRF-UHFFFAOYSA-N
+rxn:2:114191:102419,CCCC(Cc1ccc2ccccc2c1)NCCCCc1ccc[nH]1,HTYGQZLUCABMMI-UHFFFAOYSA-N
+rxn:2:114717:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NC1C(=O)SC12CCC2,KPSDICRMKJQHKH-UHFFFAOYSA-N
+rxn:2:121203:169412,Cc1csc(-c2ccc(CCC(C)NC(c3n[nH]c(C)n3)C(C)C)cc2)c1,PFYFAKHHVCSCJB-UHFFFAOYSA-N
+rxn:2:122474:170060,COCC#Cc1cnc(CNC(C)CCc2ccc(-c3csc(C)c3)cc2)nc1,DSYGPGZMGGAQAA-UHFFFAOYSA-N
+rxn:2:128024:170813,CCC(NCCCS(C)(=O)=O)c1ccc(-c2cc3cc(OC)ccc3o2)cc1,KYTZWRKDBPABSB-UHFFFAOYSA-N
+rxn:2:128825:108959,CC(NCCCc1cc[nH]c1)c1ccc(-c2cccs2)cc1,YSHQLTSWSPOKKT-UHFFFAOYSA-N
+rxn:2:131603:108959,CC(NCC1CC1c1cc[nH]c1)c1ccc(-c2cccs2)cc1,VUUZPNIIKBSAAO-UHFFFAOYSA-N
+rxn:2:131711:169412,Cc1csc(-c2ccc(CCC(C)NCCCCS(C)(=N)=O)cc2)c1,ZJSXSESWEPAMDS-UHFFFAOYSA-N
+rxn:2:131711:172927,CC(NCCCCS(C)(=N)=O)c1cc(-c2ccc3c(c2)Cc2ccccc2-3)cs1,FLHOXSDVWAELJF-UHFFFAOYSA-N
+rxn:2:138592:142183,CC(NCC=N)c1ccc(-c2ccsc2)cc1,UUGVKACWOAJXLD-UHFFFAOYSA-N
+rxn:2:139504:123403,Cc1ccc2cc(C(C)NCCC(C)C3CCCC3)sc2c1,NMTKUNDEAAPSCY-UHFFFAOYSA-N
+rxn:2:141397:120205,CNC1CCC(c2cncc(C)c2)CC1,OYIOPGYIDKKHHV-UHFFFAOYSA-N
+rxn:2:141397:88957,CCCC(CN1CCc2ccccc21)NC,DOSHHIXOZNPQNS-UHFFFAOYSA-N
+rxn:2:141397:96972,CNC1CCC(c2ccccc2)CC1C,WWCKLKTYCUSGMU-UHFFFAOYSA-N
+rxn:2:144636:96010,CC(NCCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccsc2)cc1,FDBQETLABSKCSL-UHFFFAOYSA-N
+rxn:2:163783:142183,C[C@H](NCC=N)c1ccc2c(c1)Cc1ccccc1-2,QGOOYFGDUDMSGE-LBPRGKRZSA-N
+rxn:2:172280:142183,CC(NCC=N)c1ccc2cc3ccccc3cc2c1,JPGBTBRKSZNHBL-UHFFFAOYSA-N
+rxn:2:66658:71586,C(#Cc1cnoc1)CCNC1CC(c2ccsc2)C1,BZBATNSZDJPSHN-UHFFFAOYSA-N
+rxn:2:71647:170060,Cc1cc(-c2ccc(CCC(C)Nc3cc4c(=O)[nH]ccn4c3)cc2)cs1,HITWZWSRZBANHL-UHFFFAOYSA-N
+rxn:2:72293:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCS(F)(F)(F)(F)F,LJBUZNGDLDHUAQ-UHFFFAOYSA-N
+rxn:2:75115:170060,Cc1cc(-c2ccc(CCC(C)NCCc3nnc4n3CCCC4)cc2)cs1,HAQDTBCKTNUNFZ-UHFFFAOYSA-N
+rxn:2:83959:170060,Cc1cc(-c2ccc(CCC(C)NCC(C)c3ncccn3)cc2)cs1,DEZJCSUSJVBOKG-UHFFFAOYSA-N
+rxn:2:85225:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3c[nH]c(C)c3C)cc2)cs1,QMBHSGKICGFOEL-UHFFFAOYSA-N
+rxn:2:86811:128808,CC(NC1CCC(CC2CCN(C)C2)CC1)c1cccc2ccsc12,HGQMJEHFTAIWTE-UHFFFAOYSA-N
+rxn:2:87876:71586,C(#Cc1cccs1)CCNC1CC(c2ccsc2)C1,QZEWRQXJHPRQEJ-UHFFFAOYSA-N
+rxn:2:92934:108959,CC(NCC#Cc1ccc2[nH]nnc2c1)c1ccc(-c2cccs2)cc1,MYZLQBLESBNYQB-UHFFFAOYSA-N
+rxn:2:93644:133871,CSCC(Nc1cn[nH]n1)c1ccc2c(c1)CCC2,ZLMANZYCNVUGJF-UHFFFAOYSA-N
+rxn:2:96101:77015,CCC1CCCC(NC2(c3ccc4sccc4c3)CC2)C1,GGCHQXYDXZENQJ-UHFFFAOYSA-N
+rxn:2:99558:170060,COc1ccc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nn1,AVPSVEJZDDXGIS-UHFFFAOYSA-N