Added 39 molecules from epoch 21909 for P23977

P23977_molecules.csv

@@ -51540,3 +51540,42 @@ rxn:5:196403:223312:229330,c1cc(-c2ccc(-c3cncc(-c4ccc(C5CNC5)cc4)c3)cc2)cs1,CQPB
 rxn:5:198084:223311:229221,Cc1cc(C)c(-c2ncc(-c3cccc(C4CNC4)c3)s2)s1,NVQMXDXFRWAYQQ-UHFFFAOYSA-N
 rxn:5:198087:229298:223312,c1cnc(-c2csc(-c3ccc(C4CNC4)cc3)n2)cn1,IHUVQDQNLCPJBC-UHFFFAOYSA-N
 rxn:5:198527:223312:223463,c1c[nH]c(-c2c[nH]c3cc(-c4ccc(C5CNC5)cc4)ccc23)c1,PRDUCPCDJNZIPN-UHFFFAOYSA-N
+rxn:5:178711:223312:229233,C#CCc1cc(-c2ccc(C3CNC3)cc2)ccc1-c1ccc(OC)s1,VWTZREVVSLMWIH-UHFFFAOYSA-N
+rxn:5:178713:223400:229227,C#CCc1cc(-c2csc(C#N)c2)ccc1-c1cccc(CNC)c1,IUDASEXJRMIWAI-UHFFFAOYSA-N
+rxn:5:179177:223421:228999,C#Cc1cncc(-c2ccc(-c3ccc(C(C)NC)s3)c(/C=C/OC)c2)c1,PEKLJDBNFFSHAT-ZHACJKMWSA-N
+rxn:5:180880:225456:229341,C#Cc1cc(-c2ccc(C3CCN(C)CC3)cc2)cc(-c2ccon2)c1,XJPYQQRHCNVFEI-UHFFFAOYSA-N
+rxn:5:180882:223312:229229,C#Cc1cc(-c2ccc(C3CNC3)cc2)ccc1-c1cscc1C#N,RPJKSESSSZGKPU-UHFFFAOYSA-N
+rxn:5:181280:223311:229309,CCc1cc(-c2cnc(C)o2)ccc1-c1cccc(C2CNC2)c1,JQCITNFMWUVUBR-UHFFFAOYSA-N
+rxn:5:181497:229320:223311,Fc1csc(-c2ccc(-c3ccc(-c4cccc(C5CNC5)c4)cc3)o2)c1,XXPWDDCECXOXPY-UHFFFAOYSA-N
+rxn:5:181737:223200:229343,c1cc(-c2ccc(-c3ccc(C4CCNC4)cc3)cc2)cc(-c2ccsn2)c1,XXQQIRDTXIQCMP-UHFFFAOYSA-N
+rxn:5:182441:229320:223311,Fc1csc(-c2cccc(-c3cccc(C4CNC4)c3)c2)c1,IEOULOKJHIYGTQ-UHFFFAOYSA-N
+rxn:5:182442:222958:229253,Cc1ccc(-c2ccc(-c3ccc(F)nc3)cc2)cc1C1CCNCC1,DROUHKIVXKFONC-UHFFFAOYSA-N
+rxn:5:182442:223306:229133,Fc1cc(F)cc(-c2ccc(-c3ccc4c(c3)CNCC4)cc2)c1,FCFZQWHAYIEOAN-UHFFFAOYSA-N
+rxn:5:182500:223311:229163,COc1cc(-c2ccc(-c3cccc(C4CNC4)c3)c(C)c2)cnn1,KXPTVMBDFMPCKM-UHFFFAOYSA-N
+rxn:5:182502:223400:229331,CNCc1cccc(-c2ccc(-c3cccs3)c(C)c2)c1,QBDGOJSUIVKGGN-UHFFFAOYSA-N
+rxn:5:182502:223428:223311,Cc1cc(-c2ccc(/C=N\O)cc2)ccc1-c1cccc(C2CNC2)c1,NDXOLGGMTJNAEQ-MXAYSNPKSA-N
+rxn:5:182641:223398:229339,CNCc1ccc(-c2coc3cc(-c4nccs4)ccc23)cc1,PEJQYGGYWLPIPB-UHFFFAOYSA-N
+rxn:5:182647:223464:229331,c1csc(-c2ccc3cc(-c4cc[nH]c4)sc3c2)c1,XKQKEFWCVYGCDX-UHFFFAOYSA-N
+rxn:5:182892:229341:223201,c1ccc(C2CCc3cc(-c4ccon4)ccc32)c(C2CCNC2)c1,NFPNPZFCMKRWTP-UHFFFAOYSA-N
+rxn:5:189244:223466:227331,CC(C)Oc1cccc(F)c1-c1ccc(-c2cn[nH]c2)cc1CCN(C)C,DFKWUBCBVINSPS-UHFFFAOYSA-N
+rxn:5:189249:229320:229226,CCN(C)Cc1ccc(-c2ccc(C#N)s2)cc1-c1cc(F)cs1,IDFITNXOVZUCBR-UHFFFAOYSA-N
+rxn:5:191677:223312:229330,CCOc1cc(-c2ccsc2)ncc1-c1ccc(C2CNC2)cc1,MEPSQDHCQQNBFC-UHFFFAOYSA-N
+rxn:5:191694:229230:229287,Cc1ccsc1-c1cc(CON)ccc1-c1cc(C#N)cs1,UUVSXHVCIJEHDT-UHFFFAOYSA-N
+rxn:5:192492:227895:229031,Cc1ccc(-c2cc(CN(C)C)ccc2-c2ccc(C=CC#N)cc2)c(F)c1,RMXVUEXSUQFSNU-UHFFFAOYSA-N
+rxn:5:192492:228698:228944,CCC(=O)c1ccc(-c2ccc(CN(C)C)cc2-c2cc(F)cc(F)c2F)s1,JTUQMAJYSKSWCK-UHFFFAOYSA-N
+rxn:5:192492:229230:229137,CN(C)Cc1ccc(-c2cc(C#N)cs2)c(-c2c(F)cccc2F)c1,UOOKXKHQVQFUQA-UHFFFAOYSA-N
+rxn:5:193681:228386:229331,CN1CCC(Oc2cc(-c3cc(-c4nccs4)cs3)ccc2-c2cccs2)CC1,WAXIXYLINJIZIX-UHFFFAOYSA-N
+rxn:5:193681:229313:227780,Cc1cc(-c2ccc(-c3c(F)ccc([N+](=O)[O-])c3F)c(OC3CCN(C)CC3)c2)sn1,FUHAQAXSRCLMAB-UHFFFAOYSA-N
+rxn:5:193681:229313:228492,Cc1cc(-c2ccc(-c3c(F)cc(F)c(F)c3F)c(OC3CCN(C)CC3)c2)sn1,XEVLPQXUIBKIAH-UHFFFAOYSA-N
+rxn:5:193681:229313:229342,Cc1cc(-c2ccc(-c3cnsc3)c(OC3CCN(C)CC3)c2)sn1,JRWDRAWDYKKVMV-UHFFFAOYSA-N
+rxn:5:193681:229320:229216,CN1CCC(Oc2cc(-c3cc(F)cs3)ccc2-c2ccccc2F)CC1,YFVGRXHEQROTNG-UHFFFAOYSA-N
+rxn:5:193681:229336:229332,CN1CCC(Oc2cc(-c3cncs3)ccc2-c2ccoc2)CC1,SBBUPISCPQAWKC-UHFFFAOYSA-N
+rxn:5:194936:223200:229330,C#Cc1ncc(-c2ccc(C3CCNC3)cc2)cc1-c1ccsc1,BEUUFQKTZOEIAK-UHFFFAOYSA-N
+rxn:5:194948:229288:223311,Cc1ccc(-c2ccc(C#N)cc2-c2cccc(C3CNC3)c2)s1,YMUYYBSHQFMSGG-UHFFFAOYSA-N
+rxn:5:198084:223312:228977,c1cc(C2CNC2)ccc1-c1cnc(-c2ccc3c(c2)CC3)s1,UXHDQIKBUGVRSI-UHFFFAOYSA-N
+rxn:5:198120:223306:229234,CSc1ccc(-c2ccc(-c3ccc4c(c3)CNCC4)cn2)s1,UWCHDLBDAPERRI-UHFFFAOYSA-N
+rxn:5:198120:223311:229332,c1cc(-c2ccc(-c3ccoc3)nc2)cc(C2CNC2)c1,VFVUIQWMRDVDOR-UHFFFAOYSA-N
+rxn:5:198400:223312:229320,Fc1csc(-c2nc3cc(-c4ccc(C5CNC5)cc4)ccc3o2)c1,RCLYXTCMSUDJDI-UHFFFAOYSA-N
+rxn:5:198400:223464:228999,C#Cc1cncc(-c2nc3cc(-c4cc[nH]c4)ccc3o2)c1,ZWMRRMOKXHXCQS-UHFFFAOYSA-N
+rxn:5:198409:223312:229292,Cc1occc1-c1ccc2cc(-c3ccc(C4CNC4)cc3)sc2n1,YGAQQMVOFQKPCU-UHFFFAOYSA-N
+rxn:5:198409:223400:229330,CNCc1cccc(-c2cc3ccc(-c4ccsc4)nc3s2)c1,WKQZHSZHJVGPEO-UHFFFAOYSA-N