Added 297 molecules from epoch 16733 for P31645

P31645_molecules.csv

@@ -38598,3 +38598,300 @@ rxn:2:91771:106446,COc1ccc2c(c1)OC(C1CC1)CC2NOCC1CCCCN1CC1CCCO1,NDVMOXPTGJRABO-U
 rxn:2:91771:152338,COc1ncccc1-c1ccc2c(c1)OCCC2NOCC1CCCCN1CC1CCCO1,ZWGIQRYXQDFMCU-UHFFFAOYSA-N
 rxn:2:98199:101737,COc1ccc2c(c1)OCCCCC2NCCN1CCOC(c2ccc3c(c2)CCC3)C1,RUAIMONAYXSHSH-UHFFFAOYSA-N
 rxn:2:99530:119024,COc1ccc2c(c1OC)C(NCC(c1ccc3c(c1)OCCCO3)C1COC1)CCO2,XOIAJZMPTQQSSB-UHFFFAOYSA-N
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+rxn:2:76136:147291,CN1CCN(CCC(NCc2cc3c(n(C)c2=O)CCCCC3)c2ccc3c(c2)OCCO3)CC1,IDGDJHCFHBCNAU-UHFFFAOYSA-N
+rxn:2:78620:138789,COC1(CNC(c2ccc(CN3CCSCC3)cc2)C2CCC2)COCCOC1,QYFXFMWKIUVMSP-UHFFFAOYSA-N
+rxn:2:80151:84739,CN1CCCCC1CCN1CCCCC1CNC1CCCc2cc3c(cc21)OCO3,ZBYGIDQCZLKTJS-UHFFFAOYSA-N
+rxn:2:82357:138960,COc1ccc(C2(N3CCC(NCCc4nc(C5CCSCC5)no4)CC3)CC2)cc1,QUTTVYUMJVRBMH-UHFFFAOYSA-N
+rxn:2:84095:127131,Cc1ccc(CC2CCC(NCCN3CCC[C@H](N(C)C)C3)CC2)cc1,RNHYROGRKBPJGP-VNXZQDSDSA-N
+rxn:2:84339:107164,COc1ccc2c(c1)OC1(CCCCC1)CC2NCCC1CCc2cccc(OC3COC3)c21,PLVYZMUPFOICRR-UHFFFAOYSA-N
+rxn:2:88395:139119,Cn1cccc1C(COC1CCCC1)Nc1nc2c(s1)CCCCCCCCCC2,MIHGFNDKYUHOKA-UHFFFAOYSA-N
+rxn:2:88457:95027,CN(Cc1cc(CNC2CCc3cccc(OC4CCCCC4)c32)co1)C1CCCC1,KVQXAOZMJDARPA-UHFFFAOYSA-N
+rxn:2:89726:132617,CN1CCCC(SCc2cccc(NCC3CCCCN3CC3CC3)c2)C1,OAOKLDGDWPPAOC-UHFFFAOYSA-N
+rxn:2:89726:94193,CN1CCCC(SCc2cccc(NCC3CCCN3CC3CC3)c2)C1,JORBVTJJHHZQIW-UHFFFAOYSA-N
+rxn:2:90956:142061,Cc1ccc(CN(C)C2CCCCC2NCCN2CCC[C@H](F)C2)cc1,BMHVPYJIOZYSJM-HWELCPFYSA-N
+rxn:2:91872:156149,COc1cc2c(cc1-c1ccc3ccn(C)c3c1)CCC2NCCC1CCC2(CCOCC2)CO1,ZWQRRBGZACVBEZ-UHFFFAOYSA-N
+rxn:2:91872:158875,COc1cc2c(cc1-c1cccc3c1CCC3)CCC2NCCC1CCC2(CCOCC2)CO1,IHROPDQODXOLAG-UHFFFAOYSA-N
+rxn:2:92710:104240,FC12CCCC(CC(Nc3ccc(N4CCC5(CCCCO5)C4)nc3)C1)C2,TXDUAUMMHBXCEB-UHFFFAOYSA-N
+rxn:2:92710:141068,FC12CCCC(CC(Nc3ccc(N4CCCC5CCCCC54)cn3)C1)C2,CFYJSAVSEXCNKM-UHFFFAOYSA-N
+rxn:2:92796:104274,COC1CC2(CC(NCCC3CCc4cccc(OC5CCC5)c43)CCO2)C1,OUACHIKHDQEAPK-UHFFFAOYSA-N