diff --git "a/Q9BY41_molecules.csv" "b/Q9BY41_molecules.csv"
--- "a/Q9BY41_molecules.csv"
+++ "b/Q9BY41_molecules.csv"
@@ -66736,3 +66736,1333 @@ rxn:5:229017:193972:225454,Cc1cnc(C)c(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)
 rxn:5:229026:193972:225632,Cc1cc(-c2cc(C)c(-c3cccc(N4CCN(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(C)cn1,IMVIAHSQADZZSK-UHFFFAOYSA-N
 rxn:5:229099:193972:225632,Cc1cc(-c2c(C)ccnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccc(N2CCN(C)CC2)c1,LPXJISRZZLEJGN-UHFFFAOYSA-N
 rxn:5:229247:193972:225454,Cc1cc(-c2nn(C)cc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCN(C)CC2)cc1,PNECGLCSDUTRCE-UHFFFAOYSA-N
+rxn:4:173280:226101,CCN(CC)c1ccc(-c2ccc(OCC(F)(F)C(F)(F)F)cc2OC(F)(F)F)c(C)c1,HGJYQKDXPXEKTN-UHFFFAOYSA-N
+rxn:4:173531:222708,CC(C)COc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(S(=O)(=O)NC(=O)CC(C)C)cc2)c1,SBAYGCCYEJLVBL-UHFFFAOYSA-N
+rxn:4:173593:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc(COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1,XPJTUFYYRVLWSQ-UHFFFAOYSA-N
+rxn:4:173623:224849,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCCC4)cc(C4CC4)c3)c(OCC=C(C)C)cc12,CYRFSBKQMKQDQY-UHFFFAOYSA-N
+rxn:4:173636:225911,COC(=O)COc1ccc2c(c1)OC(=Cc1cc(-c3cc(C(=O)OC)c(OC)cc3Cl)ccc1OC)C2=O,IMMJKEGOOJPFBY-UHFFFAOYSA-N
+rxn:4:173689:224101,COC(=O)Cc1c(C)c2ccc(OCc3ccc(-c4cccc(OCCN5CCC(C)CC5)c4)cc3F)c(C)c2oc1=O,DCGJAPYJRXMTQW-UHFFFAOYSA-N
+rxn:4:173775:222710,CCOC(=O)c1cc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)ccc1OC(F)(F)F,YXTVYQYRCZYPLP-UHFFFAOYSA-N
+rxn:4:173944:223559,CCCCOCc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,ZEKWYQNLGPLWQY-UHFFFAOYSA-N
+rxn:4:174100:222639,COC(=O)C(C)(C(=O)OC)c1ccc(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1,BXRRVIXZUYUMTH-INIZCTEOSA-N
+rxn:4:174257:224633,COC(=O)c1ccc(OCC2CCCO2)c(-c2cc(CN3CCOCC3)ccc2OC)c1,OBTZAAZXNOLVFQ-UHFFFAOYSA-N
+rxn:4:174339:223559,COc1ccc(C(=O)CCc2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2)cc1,ALKLSWWTMKADAS-UHFFFAOYSA-N
+rxn:4:174378:222537,COc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1OCCC1OCCCO1,OZLMRWPTKVLTDF-UHFFFAOYSA-N
+rxn:4:174406:224458,COC(=O)C1(c2ccc(-c3ccc(C(C)N4CCC(C)CC4)cc3)cc2)CC(OC)(OC)C1,RMFPYKGQMVMVAQ-UHFFFAOYSA-N
+rxn:4:174406:225171,COC(=O)C1(c2ccc(-c3cc(F)cc(CN4CCOCC4)c3)cc2)CC(OC)(OC)C1,YIJAOOHZVZNNTC-UHFFFAOYSA-N
+rxn:4:174407:224960,COC(=O)C1(c2cccc(-c3ccc(OC)c(OC4CCCC4)c3)c2)CC(OC)(OC)C1,DKOGAZYSDTYRJU-UHFFFAOYSA-N
+rxn:4:174407:225182,COC(=O)C1(c2cccc(-c3ccnc(OC4CCCCC4)c3Cl)c2)CC(OC)(OC)C1,BCXGZYJNTPKWLZ-UHFFFAOYSA-N
+rxn:4:174492:223607,CC(F)(F)c1ccc(-c2cc(-c3cccc(C(F)(F)F)n3)nc(C(F)(F)F)c2)cc1OCCC1CCCCC1,ICLQRWADMACLQD-UHFFFAOYSA-N
+rxn:4:174522:222932,COCCNS(=O)(=O)c1ccc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1,LEVXOIPJQSKOTR-UHFFFAOYSA-N
+rxn:4:174524:225389,CCC(C)c1cc(-c2cccc(C=Cc3cc(OC)c(C4OCCO4)cc3C(F)(F)F)c2C)cc(C2CC2)c1,YFPPTUOTNDRZOR-UHFFFAOYSA-N
+rxn:4:174605:225262,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1cccc(-c3ccc(C(=O)N(C)OC)cc3OC)c1)C2=O,KJBKFWXQIATBNO-UHFFFAOYSA-N
+rxn:4:174657:226284,COc1ccc(-c2cc(Cl)cc(OCC(C)C)c2)cc1C=C1Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O,YQCICQKNVAXYCX-UHFFFAOYSA-N
+rxn:4:174725:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(OCC(F)(F)C(F)F)cc2)CC1,BGTFEAVPRJTPKE-UHFFFAOYSA-N
+rxn:4:174748:222623,CCC(C)c1cc(-c2ccc(OC(F)(F)C(F)C(F)(F)F)cc2)cc(C2CCNCC2)n1,CNZHSBJHFVZHRP-UHFFFAOYSA-N
+rxn:4:175187:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc(OCC4CC4)ccc3C(F)F)c2)CC1,OTNFULKUWAXKDM-UHFFFAOYSA-N
+rxn:4:175863:223595,COc1cc(O[Si](C)(C)C)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1OC,RBFGUTZDUZJAHN-UHFFFAOYSA-N
+rxn:4:175867:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc(CCOC3CCCCO3)cc1)n2C(=O)OC(C)(C)C,AUFUVAIHXSUXJB-UHFFFAOYSA-N
+rxn:4:175989:224634,COc1ccc(-c2ccc(OCC3CCCCC3)cc2C(F)F)cc1CN1CCOCC1,XEGPCJGYRDPDGF-UHFFFAOYSA-N
+rxn:4:176017:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(C(C)C)c2)cc1,DYKGMTUAXBFRKJ-UHFFFAOYSA-N
+rxn:4:176018:224483,COc1cc(-c2ccc(OCCN3CCCCC3)cc2)c(F)cc1OCC1CCCCC1,BZPJNZBOOJWDNH-UHFFFAOYSA-N
+rxn:4:176132:223653,COc1cc2cc(-c3cc(OCCC4CCCCC4)ccc3C)n(C(=O)OC(C)(C)C)c2cc1Cl,BJKNYMYXYRLCFB-UHFFFAOYSA-N
+rxn:4:176147:222584,O=S(=O)(Oc1ccc(C2SCCCS2)cc1)c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,SQLOXQMNJXVQPC-UHFFFAOYSA-N
+rxn:4:176828:223559,COC(=O)c1cc(SC)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,VFFWHYVAIWXQBO-UHFFFAOYSA-N
+rxn:4:177990:222546,COc1cc(OC)c(C2OCCO2)cc1-c1ccc(OCCNC2CCCCC2)c(F)c1,XEMNPWBWPHIQCJ-UHFFFAOYSA-N
+rxn:4:178025:223712,COc1ccc(-c2cc(C3OCCO3)cc(OC)c2OC)cc1C12CC3CC(CC(C3)C1)C2,BBOSDNLQOPWKGW-UHFFFAOYSA-N
+rxn:4:178317:223606,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,OADLDZIYZBMALE-UHFFFAOYSA-N
+rxn:4:178381:224904,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc(C(=O)C3CCCCC3)cc2)c(C(C)(C)C)c1,XUCNMTXVUBEOML-UHFFFAOYSA-N
+rxn:4:178382:223690,COC(=O)c1cc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)cn1S(=O)(=O)c1ccc(C)cc1,RFTDHGJVBPWKJU-UHFFFAOYSA-N
+rxn:4:178384:223165,CC(=O)Nc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)c1C,GHYWRWBNDYIRCQ-UHFFFAOYSA-N
+rxn:4:178384:225911,COC(=O)c1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)cc1OC,NJEKRFBMACTUPI-UHFFFAOYSA-N
+rxn:4:178384:226242,CCCCOc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,CJLKNWMFTYLEQE-UHFFFAOYSA-N
+rxn:4:178384:226267,COCCOc1ccc(C)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,WLLHGTDKTCQWMZ-UHFFFAOYSA-N
+rxn:4:178384:228912,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cnc1Cl,VDUDOVWFDVAYHO-UHFFFAOYSA-N
+rxn:4:178588:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)cc1,HEWSQEUXHIFXLG-UHFFFAOYSA-N
+rxn:4:178597:222855,COc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc(C2CCCNC2)c1,VMTPNHGXXFWJSA-UHFFFAOYSA-N
+rxn:4:178597:228203,CC(C)c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(Cl)n1,SPCVIMQJCIDXDI-UHFFFAOYSA-N
+rxn:4:178597:228257,COc1cc(C)cc(F)c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,POIXKIJEPASVCG-UHFFFAOYSA-N
+rxn:4:179841:223504,CC(=O)C1CC1c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1F,SFKDPVRMBYPHNP-UHFFFAOYSA-N
+rxn:4:179899:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2c(C3OCCO3)cccc2C(F)(F)F)CC1,DRIMTZMPLOBPFK-UHFFFAOYSA-N
+rxn:4:180291:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC)cc3C3OCCCO3)c(F)c2)CC1,BHDJYNBZKKNJTO-MEMLXQNLSA-N
+rxn:4:180344:222389,Fc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1OC1CCCCC1,ILBFSUFZEJJZLG-UHFFFAOYSA-N
+rxn:4:180438:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(C4COCCO4)c(C4CC4)c3)c2)C1,XYYMPKUBKNFGMQ-UHFFFAOYSA-N
+rxn:4:180792:225320,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(N4CCOCC4)c(F)c3F)cc1C2=O,RQNSMJWCJMUEQE-UHFFFAOYSA-N
+rxn:4:180855:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c2)C1,RKYQOXNIMLJOTO-UHFFFAOYSA-N
+rxn:4:180856:223903,CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(-c3ccccc3CCC(=O)N3CCC(=O)CC3)cccc21,YYPQUKQTFSZRDG-UHFFFAOYSA-N
+rxn:4:181029:223606,O=S(=O)(c1ccc(-c2c(F)cc(F)cc2C(F)(F)F)cc1F)N1CCC2(CC1)OCCO2,MZHMJPSFHMLUBW-UHFFFAOYSA-N
+rxn:4:182179:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc4c(c3)CC(C(F)(F)F)C4=O)c2)C1,RCXOYGYETJUTTD-UHFFFAOYSA-N
+rxn:4:182347:224426,CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(-c3cc(C4CCCCC4)cc(C4CC4)c3)c2C1,VMSDOPDRZYRJMN-UHFFFAOYSA-N
+rxn:4:182367:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C2(CCC(C(F)F)CC2)C3)cc1,UNFGFUNIGMENDR-UHFFFAOYSA-N
+rxn:4:182372:224420,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc1C2=O,PCRTWDFUNUWYQC-SLEJYSNSSA-N
+rxn:4:182376:224842,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc3C2=O)C[C@@H]1C,AUWWSBTYIFGZNS-QMEWRSTKSA-N
+rxn:4:182376:225228,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(N5CCN(C)CC5)cc4F)cc3C2=O)C[C@@H]1C,HBFKXTQRIKBIPB-CCMMMYSXSA-N
+rxn:4:182376:225437,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(CN5CCCCC5)c4)cc3C2=O)C[C@@H]1C,LRWPLSSMPHCJBF-RSQCUOPESA-N
+rxn:4:183068:223490,Cc1ccc(-c2ccc(F)c3c2CC(C)C3=O)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MDDJDVRYRVCULY-UHFFFAOYSA-N
+rxn:4:183525:222921,CCOC(=O)Cc1ccc(C(F)(F)F)c(-c2ccc(S(=O)(=O)NC(C)C)cc2C)c1C#N,QVRCHRNGIIOUJK-UHFFFAOYSA-N
+rxn:4:183532:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc(C#N)c(CC(=O)OCC)c1C(F)(F)F,QTULZHJKXHIYEX-UHFFFAOYSA-N
+rxn:4:183669:222648,COC(=O)CSC1CCN(C(=O)c2ccc(-c3cc(NC(=O)OC(C)(C)C)c(C)cc3C)o2)C1,MIDIHIANWAMSRM-UHFFFAOYSA-N
+rxn:4:183704:226284,CC(C)COc1cc(Cl)cc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)c1,AKHXAPSDMWESHV-SFHVURJKSA-N
+rxn:4:183796:224842,COC(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1N(C)C(=O)OC(C)(C)C,MVSNWOPRDPYZON-UHFFFAOYSA-N
+rxn:4:183799:224391,COC(=O)c1cc(OCCN2CCOCC2)cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)c1,NCLXEBQVFYIXTD-UHFFFAOYSA-N
+rxn:4:183862:225498,COC(=O)CN1CCC(COc2ccc(-c3cc(C4CCCCC4)ccc3F)cc2)CC1,ROBNSLTYQMPFKG-UHFFFAOYSA-N
+rxn:4:183901:223886,CCN(Cc1cc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc(C)c1F)C(=O)OC(C)(C)C,YFKRAWSKITUZOD-UHFFFAOYSA-N
+rxn:4:183903:222612,CC(C)(C)OC(=O)Oc1cc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cnc1C#C[Si](C)(C)C,UBHPYIVTITWIKZ-UHFFFAOYSA-N
+rxn:4:183970:224167,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)ccc2OC)CC1,KXPGCXUXIOGSLW-UHFFFAOYSA-N
+rxn:4:183983:222745,Cc1ccc(-c2cccc(CNC(=O)OC(C)(C)C)c2)cc1CN(C(=O)OC(C)(C)C)C(C)C,MTLJQWLMUQGMJB-UHFFFAOYSA-N
+rxn:4:183989:224060,COc1c(C(C)(C)C)cc(-c2cc(F)cc(F)c2CC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C(C)(C)C,RHVSLOWQZDJFBJ-SANMLTNESA-N
+rxn:4:184006:223227,COc1ccc(C(=O)N(c2ccc(-c3ccc(C(C)NC4CC4)s3)cc2)C2C=CS(=O)(=O)C2)cc1OC,FITLFQXITYTWTE-UHFFFAOYSA-N
+rxn:4:184032:226497,CCN(CC)c1cc(-c2cc(F)cc(OCC3CCCCN3C(=O)OC(C)(C)C)c2)cnc1Cl,SZLLECRONIHDKU-UHFFFAOYSA-N
+rxn:4:184061:225206,Cc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(c3ccc(-c4cc(C(F)(F)F)c(C)cc4C4CC4)cc3)C2)cc1,YUDWJIUTCQGYMM-UHFFFAOYSA-N
+rxn:4:184065:223922,CN(C(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)cc2)ccc1Cl)C1CCCCC1,GNGXWCLXTGEFBV-UHFFFAOYSA-N
+rxn:4:184087:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)C2CCS(=O)(=O)C2)o1,KNCCJXXCNZUPGA-UHFFFAOYSA-N
+rxn:4:184099:223780,CC(c1ccc(-c2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,ONIKLQSPGLHFFZ-UHFFFAOYSA-N
+rxn:4:184187:222670,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cccc(C(=O)Nc4ccccc4Cl)c3)ccc2S1(=O)=O,CIJRFHRTKDJBGA-UHFFFAOYSA-N
+rxn:4:184218:226533,CCOC(=O)c1cc(F)ccc1-c1ccc2c(C)c(C(=O)N(Cc3cccc(OC)c3)C3CCS(=O)(=O)C3)oc2c1,OFWHSHRPIUOXKN-UHFFFAOYSA-N
+rxn:4:184223:223929,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccc(-c4cnc5c(c4)CCN(C(=O)OC(C)(C)C)C5)cc3)nc3ccc(C)cc23)cc1,IITLZDNXNKPIOL-UHFFFAOYSA-N
+rxn:4:184421:224363,CCOC(=O)c1c(C#N)cc(-c2cc(OC)cc(S(=O)(=O)N(CC)CC)c2)cc1C(F)F,TXHNIHNLFOSZFK-UHFFFAOYSA-N
+rxn:4:184688:224247,CC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)ccc3OCC(=O)N(C)C)c(F)c2)CC1,KOOQJDQZMLPICM-UHFFFAOYSA-N
+rxn:4:184693:222434,CC(C)(C#N)S(=O)(=O)c1cc(OC(F)(F)F)cc(-c2ccc(C(=O)Nc3cccc(OC(F)(F)F)c3)cc2)c1,FRAYAJMZBLVXNX-UHFFFAOYSA-N
+rxn:4:184737:222623,CCC(C)c1cc(-c2ccc(CC(=O)N3CCC3)c(OC(F)(F)F)c2)cc(C2CCNCC2)n1,KXWXIEOAWQJVMB-UHFFFAOYSA-N
+rxn:4:184772:222440,CCN(CC)C(=O)c1c(-c2ccc(S(=O)(=O)NCc3ccco3)cc2C(F)(F)F)cccc1C(F)(F)F,AZXROPQJFFKYPG-UHFFFAOYSA-N
+rxn:4:184885:224272,CC(C)(C)OC(=O)n1c(-c2ccc(C(=O)N(CC(F)(F)F)C3CCOCC3)o2)cc2ccncc21,KVUVNAZWVKMJEC-UHFFFAOYSA-N
+rxn:4:185013:222694,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)o1)N1CCC(S(=O)(=O)Cc2ccco2)C1,JMMLDBAZVUJEFE-UHFFFAOYSA-N
+rxn:4:185031:222826,CCOC(=O)C1CCC(Oc2ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cn2)CC1,OYCVXLFJCFIIHP-UHFFFAOYSA-N
+rxn:4:185140:224061,CCCC1CCC(c2ccc(-c3cc(CCN4CCCC(C(=O)OC)C4)ccc3F)c(F)c2)CC1,HYDRBRPEYPQLHY-UHFFFAOYSA-N
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+rxn:5:190194:226437:227562,COc1ccc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCC3)ncc2F)c1OC,IZRDVQFPNMNJLM-UHFFFAOYSA-N
+rxn:5:190194:227349:225498,COc1cc(C)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCCCC3)ccc2F)c1OC,RTYCTESLUIBQPZ-UHFFFAOYSA-N
+rxn:5:190195:223388:223004,CN(Cc1ccc(-c2ccc(S(=O)(=O)O)cc2)c(-c2ccc(C3CCNCC3)c(F)c2)c1)C1CCOCC1,JNYGHOOAUJHQLE-UHFFFAOYSA-N
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+rxn:5:190197:228473:223062,CN(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cc([N+](=O)[O-])ccc1F)C1CCOCC1,DKSGHUPOMKMMJU-UHFFFAOYSA-N
+rxn:5:190198:226835:225589,CC(C)n1nc(C(F)(F)F)cc1-c1cccc(-c2ccc(CN3CCSCC3)cc2)c1CN(C)C1CCOCC1,DWUFJZTUUKYIHK-UHFFFAOYSA-N
+rxn:5:190199:223062:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)c(CN(C)C2CCOCC2)c1,MMIVTMLZPCPGFF-UHFFFAOYSA-N
+rxn:5:190201:225803:226782,COC(=O)c1cc(F)c(-c2ccc(-c3ccnc(OC4CCOCC4)c3)cc2CCN2CCOC(C)C2)cc1F,IUHBQIRWJCADRG-UHFFFAOYSA-N
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+rxn:5:190231:223113:227491,COc1c(-c2cnc(OC3CCC3)nc2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,LUSXXLHVJVSTCH-UHFFFAOYSA-N
+rxn:5:190335:222994:228583,COc1c(-c2cccc(N3CCC(O)CC3)c2)cc(C(=O)N2CCCCC2C)cc1-c1ccnc(C(C)C)c1,OWHWJHGGFJUVCX-UHFFFAOYSA-N
+rxn:5:190335:223438:227358,CCOc1cc(C)cc(-c2cc(C(=O)N3CCCCC3C)cc(-c3cn[nH]c3C(F)(F)F)c2OC)c1F,DOKVXQYHLSPYBJ-UHFFFAOYSA-N
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+rxn:5:190337:225454:227306,COc1c(-c2ccc(C3=CCN(C)CC3)cc2)cc(C(=O)N2CCC(C)CC2)cc1-c1ccc(OC(C)C)nc1C,JSZNUFGVUYBCJO-UHFFFAOYSA-N
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+rxn:5:190484:227768:227832,Cc1cc(C2CC2)ccc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3cccn3S(=O)(=O)N(C)C)c2)CCS1(=O)=O,KWSZRJLIJMPFNX-UHFFFAOYSA-N
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+rxn:5:190711:225976:226662,CCOC(=O)c1c(-c2ccc(N3CCN(C)CC3)s2)c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2n1C,JACBFLCWTVWFIE-UHFFFAOYSA-N
+rxn:5:190740:223056:223062,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1cnc(C2CCNCC2)cc1F,ISPAJWJSAJSXIX-UHFFFAOYSA-N
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+rxn:5:190740:225980:225834,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCOCC4)ncc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,PWUXUNNGPDZPJY-UHFFFAOYSA-N
+rxn:5:190741:225607:223064,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCCCC4)s3)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,WEUMDKPAEJHIHY-UHFFFAOYSA-N
+rxn:5:190741:225980:225976,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,VLPYGWQLOVEARN-UHFFFAOYSA-N
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+rxn:5:190742:225976:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccnc(N2CCCCC2)c1F,ZZSZKPYPICNAOF-UHFFFAOYSA-N
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