diff --git "a/Q92769_molecules.csv" "b/Q92769_molecules.csv"
--- "a/Q92769_molecules.csv"
+++ "b/Q92769_molecules.csv"
@@ -79712,3 +79712,1411 @@ rxn:5:197876:228791:225814,CSc1ccc(-c2cc3c(cc2-c2cccc(C4(C(F)(F)F)CC4)c2)C(=O)N(
 rxn:5:197876:228808:225407,CSc1cc(F)cc(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,DCGIVKIWRAYQIA-UHFFFAOYSA-N
 rxn:5:197876:228824:225394,Cc1cc(F)c(-c2cc3c(cc2-c2cc(C4CCC4)cc(C4CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,OEANSOLOFUVISE-UHFFFAOYSA-N
 rxn:5:227909:178295:226710,CCC(C)c1cc(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)ccn1,XIEZHRKRLHGPPL-UHFFFAOYSA-N
+rxn:4:173288:223559,COC(=O)CCCSc1ccccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,PGUQQHHJAGMOPR-UHFFFAOYSA-N
+rxn:4:173293:222603,C#Cc1cc(F)c(OCCCOC)c(-c2cc(OC)c(NC(=O)OC(C)(C)C)cc2Cl)c1,QPARZZUCYYKLTF-UHFFFAOYSA-N
+rxn:4:173303:222389,CCOC(=O)C(=O)CC(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,NZPHGBBRMZEPCS-UHFFFAOYSA-N
+rxn:4:173335:224830,COCCOc1c(F)cc(C(=O)OC)cc1-c1cc(C(F)(F)F)nn1C1CCCCO1,SMIDRCCVZFSNCK-UHFFFAOYSA-N
+rxn:4:173338:224280,COC(=O)C(C(=O)OC)C(=O)c1ccc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1,YNDZAZAMXANROI-UHFFFAOYSA-N
+rxn:4:173365:224287,CCOC(=O)c1ccc(-c2cc(C)c(S(=O)(=O)N(CC)CC)c(C)c2)cc1C(=O)OCC,CBXFRKLKOSDUKY-UHFFFAOYSA-N
+rxn:4:173503:228721,COC(=O)c1cc(-c2ccnn2C(C)(C)C)c(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c1,VMIBXYAZSWDOOT-UHFFFAOYSA-N
+rxn:4:173532:222899,CCCCNS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2OCC(C)C)cc1,GUOUZGQHLZKPBA-UHFFFAOYSA-N
+rxn:4:173554:223960,CCN1CCN(C(=O)c2cc(-c3cc(C(=O)OC(C)(C)C)ccc3C(=O)OC(C)(C)C)ccc2F)CC1,XGUDROKHYXNDJY-UHFFFAOYSA-N
+rxn:4:173584:225369,COC(=O)c1cc(-c2cc(OC)c(S(=O)(=O)Oc3ccc(C(C)(C)C)cc3)cc2OC)c(Cl)c([N+](=O)[O-])c1,VIGOUPVLWJAYFB-UHFFFAOYSA-N
+rxn:4:173593:224491,CC(C)N(Cc1cc(-c2ccc(COC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)ccc1F)C(C)C,QHSLYWLOPKQHRG-UHFFFAOYSA-N
+rxn:4:173606:223728,CCCCCC1CCC(c2ccc(-c3cc4oc(C)c(C(=O)OC(C)C)c4cc3OC(=O)CC)c(F)c2)CC1,ADZGOOYHQVFDIF-UHFFFAOYSA-N
+rxn:4:173643:222812,COC(=O)c1c(C)oc2cc(-c3cnc(Cl)c(NC(=O)OC(C)(C)C)c3)c(OCC(=O)C(C)(C)C)cc12,NBBGDKLGIINUAO-UHFFFAOYSA-N
+rxn:4:173645:224663,COc1cc(-c2ccc(CN3CCN(C)CC3)c(F)c2)cc2cc(C(=O)OC(C)C(=O)c3ccc(F)cc3)c(=O)oc12,LNSLIJBRRZGUOH-UHFFFAOYSA-N
+rxn:4:173675:224706,CCOC(=O)c1cn2cc(-c3cc4oc(C)c(C(=O)OC(C)C)c4cc3OC(=O)C(C)(C)C)c(C)cc2n1,LSUPNZLOXZLTBO-UHFFFAOYSA-N
+rxn:4:173704:222844,COc1cccc2c(-c3cccc(NC(=O)C4CCCC4)c3)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c12,JGPFEAOYYLEFMN-UHFFFAOYSA-N
+rxn:4:173713:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(OCC(F)(F)F)cc2OC(F)(F)F)c(F)c1,LVBYHJAIBQLVAY-UHFFFAOYSA-N
+rxn:4:173723:222604,COc1ccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)cc1S(=O)(=O)NC1CCCC1,DUTHFDIRCQNHKA-UHFFFAOYSA-N
+rxn:4:173723:222771,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2ccc(F)c(C(=O)NC3CCCC3)c2)cc1,FGHVVLKFVUICAS-UHFFFAOYSA-N
+rxn:4:173723:222793,CC(C)(C)OC(=O)Nc1cccc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)c1F,TZKHCUYVVVDYMJ-UHFFFAOYSA-N
+rxn:4:173723:224491,CC(C)N(Cc1cc(-c2ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc2)ccc1F)C(C)C,JOVMNEMDNQOXHM-UHFFFAOYSA-N
+rxn:4:173723:224738,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cc(OCC3CC3)cc(C(F)(F)F)c2)cc1,UBDMKYQCUUTBFE-UHFFFAOYSA-N
+rxn:4:173723:224767,O=C(COS(=O)(=O)C(F)(F)F)c1ccc(-c2cccc(C(=O)N3CCOCC3)c2F)cc1,FOKCAXAHVRCVPI-UHFFFAOYSA-N
+rxn:4:173802:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(OS(=O)(=O)C(F)(F)F)C(F)(F)F)cc2)cc1,ACPSUJLNMSVPBW-UHFFFAOYSA-N
+rxn:4:173906:223557,COC(=O)CCS(=O)(=O)c1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,NWQVELVIOPESDF-UHFFFAOYSA-N
+rxn:4:173926:222708,C#Cc1cc(F)c(OC(C)C(=O)OC)c(-c2ccc(S(=O)(=O)NC(=O)CC(C)C)cc2)c1,ISFGTEGUXILTHE-UHFFFAOYSA-N
+rxn:4:174249:223979,O=C(c1cc(-c2cccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc([N+](=O)[O-])c1)N1CCCCC1,GWVFSIUFUCBTEX-UHFFFAOYSA-N
+rxn:4:174281:223594,CCOC(=O)c1ccccc1C(=O)c1ccc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,MIOKXTGRXKJEPJ-UHFFFAOYSA-N
+rxn:4:174375:223569,COC(=O)C(C)(C)c1cc(OC)c(OC)cc1-c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1F,GVZDGOGECTXSFM-UHFFFAOYSA-N
+rxn:4:174406:224865,COC(=O)C1(c2ccc(-c3ccc(CCN4CCCCC4)cc3)cc2)CC(OC)(OC)C1,IARCZYXXKMBHDR-UHFFFAOYSA-N
+rxn:4:174406:225044,COC(=O)C1(c2ccc(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)cc2)CC(OC)(OC)C1,LQILEJQSWJWYFT-UHFFFAOYSA-N
+rxn:4:174407:225110,COC(=O)C1(c2cccc(-c3ccc(OC(=O)OC(C)(C)C)cc3)c2)CC(OC)(OC)C1,UYKDJDITWFVQME-UHFFFAOYSA-N
+rxn:4:174427:223889,CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2Cl)c(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)c1,PFEOXYKFWHSPAT-UHFFFAOYSA-N
+rxn:4:174437:225104,CCN(CC)C(=O)c1ccc(F)c(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2F)c1,BRHDZTBKKLWAMY-UHFFFAOYSA-N
+rxn:4:174443:223053,CC(C)NC(=O)c1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c2)c(F)c1,LFOXFAXCSFPYLC-UHFFFAOYSA-N
+rxn:4:174482:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C(F)(F)F)cc2)c1,WCPFRVSVTAIUJZ-UHFFFAOYSA-N
+rxn:4:174508:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(SC4=C(OC(=O)c5ccco5)CC(C)(C)CC4=O)cc3)c2)CC1,GYVXCJOSGWPSAP-UHFFFAOYSA-N
+rxn:4:174518:224426,CC(C)[Si](Oc1ccc(F)c(-c2cc(C3CCCCC3)cc(C3CC3)c2)c1)(C(C)C)C(C)C,ISSDJSICKZJEJL-UHFFFAOYSA-N
+rxn:4:174526:226714,Cc1c(-c2ccnn2C(=O)OC(C)(C)C)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,WJKQIWYYDKHIDG-UHFFFAOYSA-N
+rxn:4:174528:223935,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc2cccc(F)c2n1C(=O)OC(C)(C)C,CLIOWEUILCELDR-UHFFFAOYSA-N
+rxn:4:174540:223899,COC(=O)C12CC(COc3cccc(-c4ccc(C(=O)N(C(C)C)C(C)C)cc4OC)c3)(C1)C2,BMQBFMIMBKZFBQ-UHFFFAOYSA-N
+rxn:4:174655:223174,CCCCCOc1cc2c(cc1-c1ccc(NS(=O)(=O)CC)cc1)C(C)(C)CCC2(C)C,SASNLUQRBNVYDR-UHFFFAOYSA-N
+rxn:4:174655:223581,CCCCCOc1cc2c(cc1-c1cc3cccc(C(=O)OC)c3n1C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C,ACZGILZDVZNPSE-UHFFFAOYSA-N
+rxn:4:174656:224969,Cc1cc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)ccc1C(=O)OC(C)(C)C,AEWCNIXVCCVNMG-UHFFFAOYSA-N
+rxn:4:174730:223699,COC(=O)c1ccc(OC(F)(F)F)c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c1,FLMWULMEALWVOM-UHFFFAOYSA-N
+rxn:4:174755:224323,Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2OC(F)F)cc(C)c1S(=O)(=O)N1CCCC1,RGJAOCSTDKPYEI-UHFFFAOYSA-N
+rxn:4:174987:223532,COC(=O)Cc1ccc(OC)c(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,GBFDNTGREPPLOO-UHFFFAOYSA-N
+rxn:4:175085:223973,Cc1cc(OCC(F)(F)C(F)F)ccc1-c1ccc(N2CCCC(C)C2)cc1C(F)(F)F,JFRRXYQAGYOPAO-UHFFFAOYSA-N
+rxn:4:175114:223559,CCCC(=O)Cc1ccccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,VDXGTXACGGXZJQ-UHFFFAOYSA-N
+rxn:4:175187:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc(OCC4CC4)ccc3C(F)F)c2)CC1,OTNFULKUWAXKDM-UHFFFAOYSA-N
+rxn:4:175204:222541,O=C(NCCN1CCCCC1)c1ccc(-c2cc(OCC3CC3)ccc2C(F)(F)F)cc1,LDSHSTUPIDVRRJ-UHFFFAOYSA-N
+rxn:4:175369:224011,CCOC(=O)/C(C)=C/c1c(F)cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)cc1F,JKWUXNZTWPYARB-RVDMUPIBSA-N
+rxn:4:175482:223474,FC(F)(F)Oc1ccccc1-c1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1C(F)(F)F,CBSMRAVSKZYFQM-UHFFFAOYSA-N
+rxn:4:175515:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(OCC(=O)C(C)(C)C)c3)cc2F)CC1,PVGLLMADIOYRGL-UHFFFAOYSA-N
+rxn:4:175664:222945,CC(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(F)c2C(=O)OC(C)(C)C)cc1F,NAVNVKMGOPMJAE-UHFFFAOYSA-N
+rxn:4:175664:223880,Cc1ccc2c(c1)cc(-c1cc(C(F)(F)F)cc(F)c1C(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C,KUQCWMZYHQFCPI-UHFFFAOYSA-N
+rxn:4:175703:223898,COC(=O)CC1CC(c2ccc(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)cc2)C1,OCUWQCAMDFSADZ-UHFFFAOYSA-N
+rxn:4:175772:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc([Si](C)(C)C)c2OS(=O)(=O)C(F)(F)F)c(F)c1,FATMSBPATMWCJI-UHFFFAOYSA-N
+rxn:4:175772:224162,CC(C)(C)OC(=O)N1CCc2ccc(-c3cccc([Si](C)(C)C)c3OS(=O)(=O)C(F)(F)F)cc21,NYZCPVJCSQNPIM-UHFFFAOYSA-N
+rxn:4:175824:224666,CN1CCN(Cc2cc(-c3cc(C(=O)CCC4OCCCO4)ccc3Cl)ccc2F)CC1,WYYOQVSZLQKTRH-UHFFFAOYSA-N
+rxn:4:175827:224172,COC(=O)c1cc(F)c(OC2CCCC2)cc1-c1cccc(CN(C)C(=O)OC(C)(C)C)c1,KNKYQOBGXOGUBD-UHFFFAOYSA-N
+rxn:4:175869:223885,CCc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)ccc1C(=O)OC(C)(C)C,GBELCBFTTNCCQB-UHFFFAOYSA-N
+rxn:4:176088:223904,CCOc1c(C(C)C)cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1C(C)C,SLVBKISROWBZFQ-UHFFFAOYSA-N
+rxn:4:176089:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2Cl)cc1,FFXZKNDBNDFEHI-SFHVURJKSA-N
+rxn:4:176093:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(Cl)c3CO[Si](C)(C)C(C)(C)C)c2)CC1,FQTKPLJJHGIEPG-UHFFFAOYSA-N
+rxn:4:176121:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cccc(F)c3F)c2)cc1,BKRAWUOGMZDNQY-UHFFFAOYSA-N
+rxn:4:176131:222519,CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1-c1cc(SC(C)(C)C)cc(SC(C)(C)C)c1,GLDUNLVYZHSVJS-UHFFFAOYSA-N
+rxn:4:176131:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(SC(C)(C)C)cc(SC(C)(C)C)c3)c2)CC1,QFCCOKLTOJCRMB-UHFFFAOYSA-N
+rxn:4:176651:223559,COc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1C(=O)C(F)F,KKTBVNVLFWEUQW-UHFFFAOYSA-N
+rxn:4:176937:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(OC(F)(F)F)ccc3S(C)(=O)=O)cc2C)CC1,YHHAVFWHCLPQQH-UHFFFAOYSA-N
+rxn:4:177260:223506,CCOCc1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1C,CYZXWGRZROPMSM-UHFFFAOYSA-N
+rxn:4:177402:224292,Cc1cc(-c2ccc(OC(F)(F)F)c(C3OCCO3)c2)ccc1S(=O)(=O)OCC(C)(C)C,OYQMQJCSGKNWTD-UHFFFAOYSA-N
+rxn:4:177425:223559,COc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(OC(C)C)c1,GKLOTDVJFXOYEA-UHFFFAOYSA-N
+rxn:4:177725:223534,CC(=O)c1cccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c1OC(C)C,HDVABXQRXWMORW-UHFFFAOYSA-N
+rxn:4:177977:223659,COC(=O)C1(C)OC1(C)c1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,PFFXXXGYLMZVKO-UHFFFAOYSA-N
+rxn:4:178106:223521,Cc1cccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C(=O)OC(C)(C)C,CNBRAXRKAQHVFL-UHFFFAOYSA-N
+rxn:4:178288:224719,COC(=O)C1(c2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C(C)C)cc2)CCC(=O)CC1,MVHJOGINTDBNFD-UHFFFAOYSA-N
+rxn:4:178340:223559,COC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c(C)c2C)cc1F,ORCNVORYNDEZSK-UHFFFAOYSA-N
+rxn:4:178384:224386,FC(F)(F)c1cccc(-c2ncc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cn2)c1,WDQGKLSTCRQTHY-UHFFFAOYSA-N
+rxn:4:178384:227242,CCCOc1cccc(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,FGGBAZIJWYZDDV-UHFFFAOYSA-N
+rxn:4:178384:227580,COc1cc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1OC,HGVWVQSJKPRSRB-UHFFFAOYSA-N
+rxn:4:178384:228148,COc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1OC,XSKYTJHAXPIWHU-UHFFFAOYSA-N
+rxn:4:178384:228438,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(F)c1Cl,GXXCCJRWNHPXHO-UHFFFAOYSA-N
+rxn:4:178597:226924,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(C)c(C2CC2)c1,NASRYNPBTAOVAL-UHFFFAOYSA-N
+rxn:4:178597:227515,CC(C)Oc1cnc(F)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,OCXHKJQMVMTCMY-UHFFFAOYSA-N
+rxn:4:180346:223866,CC(=O)c1cc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c([Si](C)(C)C)c(F)c1F,LGRANACIXQXDMZ-UHFFFAOYSA-N
+rxn:4:180528:224656,COc1ccc(-c2ccc(OC3CCC4(CC3)OCCO4)cc2)c(F)c1OC1CCCC1,MXLINJIBKVVAPX-UHFFFAOYSA-N
+rxn:4:180950:223492,Cc1cc(-c2cccc(Cl)c2C(F)F)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DHLHPGGIOWZKBU-UHFFFAOYSA-N
+rxn:4:180977:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)c(F)c3C(F)F)cc2)CC1,ACKVEYHLHRUESR-UHFFFAOYSA-N
+rxn:4:181854:223522,CC(C)(C)c1ccc(Cl)c(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)c1,PSXSNYVFJPKUEA-UHFFFAOYSA-N
+rxn:4:182023:223522,Cc1cc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cc(C(C)(C)C)c1,OLHQHWFNWONESF-UHFFFAOYSA-N
+rxn:4:182699:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc4c3C(=O)CO4)c(F)c2)CC1,SJYBSSQOWVKIKQ-UHFFFAOYSA-N
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+rxn:4:219338:223892,CN1CCN(CCCOc2ccc(-c3cnc(OC4CCN(C(=O)N(C)C)CC4)nc3)cc2)CC1,NDJOSXVSWJCKFK-UHFFFAOYSA-N
+rxn:4:219375:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cn(C4CCCN(C(=O)OC(C)(C)C)C4)nn3)c(F)ncc21,QZGPMHMJHSXJNG-UHFFFAOYSA-N
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+rxn:4:219419:224754,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccccc4S(=O)(=O)N4CCCCC4)o3)CC2)cc(C(F)(F)F)n1,BGHZOCCCXRNXQM-UHFFFAOYSA-N
+rxn:4:219436:225748,N#Cc1cc(-c2ccncc2OCC2CCCO2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,BKXYUSINRDSFIC-UHFFFAOYSA-N
+rxn:4:219436:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)c1Cl,XIYWFQRSFNAJRY-UHFFFAOYSA-N
+rxn:4:219457:225990,CCCCn1nc(C(F)(F)F)cc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2C)nn1,OMTVPEMYPZILLY-UHFFFAOYSA-N
+rxn:4:219463:223945,Cc1cc(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)ccn1,PMDKBQGBLFXKKD-UHFFFAOYSA-N
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+rxn:4:219500:224354,N#Cc1cc(-c2cc(F)c(Oc3cccc(F)c3)c(F)c2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,AZKOGQRHDWDUTI-UHFFFAOYSA-N
+rxn:4:219500:226500,CC(C)COc1ncc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(C#N)c1,FCIBUWNCQFJARM-UHFFFAOYSA-N
+rxn:4:219516:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OC2CCN(CC3CC(=O)N(C)C3)CC2)nc1,KAWADKJADLUXSZ-UHFFFAOYSA-N
+rxn:4:219523:224681,O=C(c1ccc(-c2ccccc2C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1F)N1CCCCC1,YLRFGHJWJQUKMT-UHFFFAOYSA-N
+rxn:4:219534:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)c2)CC1,CHPUTRHQVFDQCM-UHFFFAOYSA-N
+rxn:4:219565:225048,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)cc4C)cc3)CC2)n1,MTJLYFCMCOXQHI-UHFFFAOYSA-N
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+rxn:4:219654:223959,CCN1CCN(C(=O)c2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)ccc2Cl)CC1,ARENZEJOCXUEPX-UHFFFAOYSA-N
+rxn:4:219759:225977,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)cnc4N4CCOCC4)cc2)OC3)CC1,ZHYHCHPODKDBNX-UHFFFAOYSA-N
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+rxn:4:219824:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C(=O)N4CC(n5ccnn5)C4)o3)c2)CC1,VNWGFBFUMPKYGD-UHFFFAOYSA-N
+rxn:4:219825:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C(=O)N4CC(n5nccn5)C4)o3)c2)CC1,PPDMMBSTIWHBPH-UHFFFAOYSA-N
+rxn:4:219844:223959,CCN1CCN(C(=O)c2cc(-c3cnc(N4CCN(CC(F)(F)F)CC4)nc3)ccc2Cl)CC1,HWCLCDMKHNEEHI-UHFFFAOYSA-N
+rxn:4:219934:222584,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CCO1)N1CCCC1,VMOUFUKXZSQHBF-UHFFFAOYSA-N
+rxn:4:219959:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c(F)c2)CC1,ZYLZYPKWQAZKOE-BWZATIJHSA-N
+rxn:4:220118:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc3nc(OC4CCN(c5ncc(F)cn5)CC4)sc3c2)CC1,NJDCEUBTMCCNJQ-UHFFFAOYSA-N
+rxn:4:220129:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3cnc(N4CC5C(=O)N(Cc6ccccc6)C(=O)C5C4)nc3)cc21,WWMCFDZNGTZSNT-UHFFFAOYSA-N
+rxn:4:220136:224394,Cc1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1S(=O)(=O)N1CCOCC1,JIZLALLJEVVRHH-UHFFFAOYSA-N
+rxn:4:220162:225193,CSc1ncc(-c2ccc(C3COCCO3)c(C#N)c2)c(N2CC(N3CC4CCCC4C3)C2)n1,DXFCMVDJDNKBFP-UHFFFAOYSA-N
+rxn:4:220226:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)ncc3c2)CC1,GZKKNKJPQPYWLG-UHFFFAOYSA-N
+rxn:4:220266:225733,CCCCOc1cc(-c2nc3c(=O)n(C)c(=O)n(C)c3n2CC(=O)C23CC4CC(CC(C4)C2)C3)c(F)cc1F,XOLNRCAULOBVOC-UHFFFAOYSA-N
+rxn:4:220267:223569,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(-c5cnc6c(ccn6[Si](C(C)C)(C(C)C)C(C)C)c5F)cc4)c4ccccc4N23)c1C,BUGAJPMMPIYGJT-UHFFFAOYSA-N
+rxn:4:220533:224885,CC1CCN(Cc2ccccc2-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)CC1,FALIVHKKKGYRBC-UHFFFAOYSA-N
+rxn:4:220936:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cn4ccnc4c(N4CCOCC4)n3)c2)CC1,QAKTZRUZGQSCGZ-UHFFFAOYSA-N
+rxn:4:220936:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn4ccnc4c(N4CCOCC4)n3)s2)CC1,BNKFDOTZMFEFPN-UHFFFAOYSA-N
+rxn:4:221088:224886,CC1CCN(Cc2ccc(-c3cnc(OCC4CCCN(Cc5nnc(C(F)(F)F)o5)C4)nc3)cc2)CC1,JXXJGDLSMRGOJX-UHFFFAOYSA-N
+rxn:4:221090:224593,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(F)c(CN3CCC(C)CC3)c2)cn1,AMONLJGHPKIJIU-UHFFFAOYSA-N
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+rxn:4:221099:226419,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCCC5)cc4Cl)cn3)C2)c(C(F)F)n1,AFNBOIMSDYZWCI-UHFFFAOYSA-N
+rxn:4:221100:222822,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(S(=O)(=O)NC4CC4)c(C)cc3F)cn2)CC1,UZKFYNWACRMJGC-UHFFFAOYSA-N
+rxn:4:221101:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nc5OC)C4)nc3)c(Cl)c2)CC1,HBHPTZKZKCUSFZ-UHFFFAOYSA-N
+rxn:4:221105:224750,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(Cl)c(C(=O)N5CCOCC5)c4)cn3)C2)nc1C,IVNBMFFYXMACKR-UHFFFAOYSA-N
+rxn:4:221112:222600,CCOc1ccc(-c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1,BZBSEJKWYGBCLS-UHFFFAOYSA-N
+rxn:4:221152:223602,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)C1,FVUHFRJRRJZAJZ-UHFFFAOYSA-N
+rxn:4:221152:224022,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cn2)C1,VUOOSMZZOXLSSJ-UHFFFAOYSA-N
+rxn:4:221172:224649,Cn1nc(C(=O)N2CCC(COc3ncc(-c4cc(F)ccc4OCC4CCCCO4)cn3)CC2)ccc1=O,CUNVDCAVVLOKPP-UHFFFAOYSA-N
+rxn:4:221180:224772,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)cn3)CC2)nn1C,JTAYEDIRQOAHIX-UHFFFAOYSA-N
+rxn:4:221181:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)n(C)n5)C4)nc3)c2)CC1,BHDXAAJMVJQPEM-UHFFFAOYSA-N
+rxn:4:221185:224818,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cn3)CC2)n1,DGMNLLQPHDSLBF-UHFFFAOYSA-N
+rxn:4:221188:222540,CC(C)c1nccc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cn3)C2)n1,DNRLDENURCPMHR-UHFFFAOYSA-N
+rxn:4:221201:224825,CON(C)C(=O)c1cc(-c2ccc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](C)C3)cc2)cc([N+](=O)[O-])c1,LOPSKXLKQGROBT-LJQANCHMSA-N
+rxn:4:221233:222430,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(S(=O)(=O)Nc6ccc(OC(F)(F)F)cc6)cc5)c4)CC3)ccc2n1,MCCCIKAIWVPXDP-UHFFFAOYSA-N
+rxn:4:221240:225529,CCN(CC)Cc1ccc(-c2cnc(OCC3CCCN(Cc4c5c(nn4C)CCC5)C3)nc2)cc1F,KMWNNCIOPAFQTL-UHFFFAOYSA-N
+rxn:4:221243:224371,COC(=O)C1CCN(c2ncc(-c3ccc(-c4cc5c(=O)n(CC(=O)N(C)C6CCCCC6)ncn5n4)cc3)cn2)CC1,DVAWJPPVYVOSRV-UHFFFAOYSA-N
+rxn:4:221250:225173,O=C(c1ccc(-c2ccc(C3=NN(C(=O)CN4CCCCC4)C(c4nc5ccccc5[nH]4)C3)cc2)c(F)c1)N1CCCC1,HNSMYQBHFJHMFH-UHFFFAOYSA-N
+rxn:4:221260:222585,CCOCCn1c(=O)c2c(nc3n(-c4ccc(-c5ccccc5C(=O)NCCN5CCOCC5)cc4)c(C)cn23)n(C)c1=O,REKHMBOEIGMLFJ-UHFFFAOYSA-N
+rxn:4:221267:224649,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)ccc3OCC3CCCCO3)cc2)n(C)c1=O,RIZZTYUCHWUODA-UHFFFAOYSA-N
+rxn:4:221267:224704,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)c(F)c(N4CCC(C)CC4)c3)cc2)n(C)c1=O,XCLMWJYQDRIMAV-UHFFFAOYSA-N
+rxn:4:221272:225869,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(N4CCOCC4)c(Cl)c3)cc2)n(C)c1=O,TXGWKXOCPBRLBT-UHFFFAOYSA-N
+rxn:4:221299:223504,CSc1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(N2CC(Cn3cc(Cl)cn3)C2)n1,BILUVWLYJZULGW-UHFFFAOYSA-N
+rxn:4:221320:223593,Cn1nc(C(=O)N2CC(Cn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cn3)C2)ccc1=O,SIWVCCQGHWCCAI-UHFFFAOYSA-N
+rxn:4:221334:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(Cl)c(C(=O)N4CC(c5nc(-c6ncccn6)no5)C4)c3)cc2C)CC1,NKTLUMWZGKFFLA-UHFFFAOYSA-N
+rxn:4:221372:224704,CC1CCN(c2cc(-c3ccc(C(=O)N4CCN(c5cc(N(C)C)cnn5)CC4)o3)cc(F)c2F)CC1,IBTACTVBERYSBF-UHFFFAOYSA-N
+rxn:4:221384:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C(=O)N4CCN(c5ccc(-c6cccnc6)nn5)CC4)o3)c2)CC1,GDXZZSPLMXPCTM-UHFFFAOYSA-N
+rxn:4:221387:223671,Cc1ncnc(OCC2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)c1C,BORJCZIWIKBBDV-UHFFFAOYSA-N
+rxn:4:221411:223502,Cn1nc(C2CCN(C(=O)c3cncc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)c3)CC2)n(C2CC2)c1=O,HYOKRRIARNZPAA-UHFFFAOYSA-N
+rxn:4:221423:222871,CC(C)CNC(=O)c1ccc(-c2ccccc2CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1Cl,BYCAVRHBIVFTAG-UHFFFAOYSA-N
+rxn:4:221452:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)N4CCN(c5nc(C)cc(N6CCCCC6)n5)CC4)c3)ccc2C)CC1,BWKZMWSYUAAPCN-UHFFFAOYSA-N
+rxn:4:221453:223145,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C5CCC(=O)N5)cc4)cc3)CC2)n1,OQFKGAJTRPAZCZ-UHFFFAOYSA-N
+rxn:4:221522:223602,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)cn4)CC3)cnc2c1,VZJGTMFENXJBLG-UHFFFAOYSA-N
+rxn:4:221546:222888,COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(CN4CCNCC4)c(Cl)c3)cc2)n(C)c1=O,IZHOFUMJGSNAJX-UHFFFAOYSA-N
+rxn:4:221546:223497,COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2)n(C)c1=O,JNOVGNXEJNBIHX-UHFFFAOYSA-N
+rxn:4:221608:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cncc(C(=O)N4CCC(n5ccnn5)CC4)c3)c2)CC1,VLVRZNKHHUFUBH-UHFFFAOYSA-N
+rxn:4:221609:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(c5ncc(Cl)cn5)CC4)nc3)cc2[N+](=O)[O-])CC1,ALZCPSYHYMQATJ-UHFFFAOYSA-N
+rxn:4:221696:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(c4nccn5nc(C)cc45)C3)c(F)cc2C)CC1,OCAGCLLOZANCJJ-UHFFFAOYSA-N
+rxn:4:221718:225354,CCOc1cc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCCCC2)cc(C(F)(F)F)c1F,SPZADWRQZSTEKA-UHFFFAOYSA-N
+rxn:4:221726:222930,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cnc(Cl)c(N4CCCC(O)C4)c3)cn2)CC1,ROZXYACJBYZVOC-UHFFFAOYSA-N
+rxn:4:221726:223062,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cnc(C4CCNCC4)cc3F)cn2)CC1,ATMPNWPYPCPUCA-UHFFFAOYSA-N
+rxn:4:221728:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCC(c6nn(C)c(=O)n6C6CC6)CC5)sc4c3)cc2F)CC1,XFZKZHMMUIKXOP-UHFFFAOYSA-N
+rxn:4:221730:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCC(Cn5c(C)nc6cc(F)ccc6c5=O)CC4)nc3)c2)CC1,KMOIBNFTZNIIRJ-UHFFFAOYSA-N
+rxn:4:221753:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CC(C)C)c(=O)n4C)cc3)cc21,ITBNHQUHLNPLPZ-UHFFFAOYSA-N
+rxn:4:221832:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2F)CC1,BBJKVTHHRIVSEE-UHFFFAOYSA-N
+rxn:4:221832:223754,CC1CCN(CCCOc2ccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2Cl)CC1,KUOKNVQDQYIVRP-UHFFFAOYSA-N
+rxn:4:221849:222588,CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCN4CCC(O)CC4)c(F)c3)cc2)n(C)c1=O,YAHZWVFWEAACJD-UHFFFAOYSA-N
+rxn:4:221914:222647,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4cc(C)c(NC(=O)OC(C)(C)C)cc4C)cc3)n2)CC1,VCRGQKZSNWEBHK-UHFFFAOYSA-N
+rxn:4:221917:222786,CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5cc(F)cc(NC(=O)OC(C)(C)C)c5)c4)CC3)nn2)n1,DDJYDYUIHXILIX-UHFFFAOYSA-N
+rxn:4:221935:224286,N#Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)cn2)C1,YZOBYGGVWFBSFO-UHFFFAOYSA-N
+rxn:4:221939:223532,Cn1ncnc1CN1CCC(COc2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,FYPFLEUDNDENOQ-UHFFFAOYSA-N
+rxn:4:221965:225177,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCSCC6)c(F)c5)cc4)CC3)nn2)CC1,QGBKWGWCFWUWCR-UHFFFAOYSA-N
+rxn:4:221977:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCCN(c3nccn4nc(C5CC5)cc34)C2)nc1,KKHMUXRZVLOQHZ-UHFFFAOYSA-N
+rxn:4:221985:224018,Cn1cc(-c2nc3cnc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,IUQPQQHAYYCDQW-HXUWFJFHSA-N
+rxn:4:221985:224400,Cn1cc(-c2nc3cnc(-c4ccc(N5CCOCC5)c(C(F)(F)F)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,FMKZWGQBZUMFIU-JOCHJYFZSA-N
+rxn:4:221985:224750,Cn1cc(-c2nc3cnc(-c4ccc(Cl)c(C(=O)N5CCOCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,WLMSJXSIGRCWBC-JOCHJYFZSA-N
+rxn:4:221985:224758,Cn1cc(-c2nc3cnc(-c4ccc(C(=O)N5CCOCC5)c(Cl)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,ZVQFEUUGWJNTJC-JOCHJYFZSA-N
+rxn:4:221985:225174,Cn1cc(-c2nc3cnc(-c4ccc(F)cc4CN4CCOCC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,VUMILQLBXBRXKL-XMMPIXPASA-N
+rxn:4:221985:225877,Cn1cc(-c2nc3cnc(-c4ccc(Cl)cc4N4CCOCC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,IDOICEZXIMZJLQ-JOCHJYFZSA-N
+rxn:4:222054:223992,Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)cc1S(=O)(=O)N1CCN(C)CC1,HSWIRFRGBMLAOV-UHFFFAOYSA-N
+rxn:4:222054:224404,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)c(F)c5)o4)CC3)nn2)CC1,HDCCUOPKKUFBJF-UHFFFAOYSA-N
+rxn:4:222062:227219,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCCF)cc4)cc3)CC2)n1,HEPPEQJPZCFURV-UHFFFAOYSA-N
+rxn:4:222062:227232,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccnc4OCC4CC4)cc3)CC2)n1,QOMKJUNGMKDESL-UHFFFAOYSA-N
+rxn:4:222062:227407,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cnc4C(C)(C)C)cc3)CC2)n1,VZLIZMNLZNZEIL-UHFFFAOYSA-N
+rxn:4:222062:228293,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnn(CCN(C)C)c4)cc3)CC2)n1,LCNOIRAMTDOZGZ-UHFFFAOYSA-N
+rxn:4:222089:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,UFFMZWBAAOMJJS-UHFFFAOYSA-N
+rxn:4:222092:222632,Cc1cc(C)n2nc(C(=O)N3CCC(Oc4ncccc4-c4cccc(C(=O)NCCN5CCCC5)c4)C3)nc2n1,VKYCUTVCASHKAQ-UHFFFAOYSA-N
+rxn:4:222095:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(OCC4CCCN(c5nccn6nc(C)cc56)C4)nc3)cc2F)CC1,NYIVLGPJZNKQSK-UHFFFAOYSA-N
+rxn:4:222108:224999,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(C)N7CCOCC7)cc6)cc5)no4)C3C2=O)cc1F,NMJGYZPRWQZGGS-UHFFFAOYSA-N
+rxn:4:222112:224359,CCN(CC)C(=O)c1cc(-c2cnc(N3CCC(COc4ccc5nc(C)c(C)n5n4)CC3)nc2)cc([N+](=O)[O-])c1,QPJHHHUNSPGVSH-UHFFFAOYSA-N
+rxn:4:222113:224992,CC1CN(C(=O)Cn2cnc3c(nnn3-c3ccc(-c4ccccc4CN4CCC(=O)CC4)cc3)c2=O)CC(C)O1,UKIXAWPOFHYYMR-UHFFFAOYSA-N
+rxn:4:222123:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)cc2)c(Cl)cn1,AQQUPSPOZNJLHE-UHFFFAOYSA-N
+rxn:4:222123:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)cc2)c1,DGODQXZLBFDFEU-UHFFFAOYSA-N
+rxn:4:222142:225177,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(CN3CCSCC3)c(F)c2)cc1,GJAUQMNTDVPCPL-UHFFFAOYSA-N
+rxn:4:222142:225320,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(N3CCOCC3)c(F)c2F)cc1,DOKXEXLMKUYPIF-UHFFFAOYSA-N
+rxn:4:222143:224804,CC(C)Oc1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCCCC4)c(=O)n3C)cc2)cc1OC(F)(F)F,XTGNVHYEUJVWSI-UHFFFAOYSA-N
+rxn:4:222161:223945,Cn1nc(C2CCN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)n(C2CC2)c1=O,HXWXKWBYYHYKCS-UHFFFAOYSA-N
+rxn:4:222161:224018,Cn1nc(C2CCN(c3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)cn3)CC2)n(C2CC2)c1=O,YHLQRNNVHCCJON-UHFFFAOYSA-N
+rxn:4:222161:224286,Cn1nc(C2CCN(c3ncc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cn3)CC2)n(C2CC2)c1=O,PARNQNNBYWBVOK-UHFFFAOYSA-N
+rxn:4:222163:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnc(N3CCN(c4cc(C5CC5)nc(C)n4)CC3)nc2)CC1,JZNKUJQWYQKQNV-UHFFFAOYSA-N
+rxn:4:222184:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(C(=O)N5CCC(n6ccnn6)CC5)n(C)nc4c3)c(F)cc2C)CC1,QCYLPCBVQXIZRC-UHFFFAOYSA-N
+rxn:4:222184:223992,Cc1ccc(-c2ccc3c(C(=O)N4CCC(n5ccnn5)CC4)n(C)nc3c2)cc1S(=O)(=O)N1CCN(C)CC1,KEBYLTLFTCKLAX-UHFFFAOYSA-N
+rxn:4:222184:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc4c(C(=O)N5CCC(n6ccnn6)CC5)n(C)nc4c3)c2)CC1,ZXHISLZKQTWLJO-UHFFFAOYSA-N
+rxn:4:222193:223971,CC1CCN(c2cc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)cc(C(F)(F)F)c2)CC1,DFUQOWHDQKSEPN-UHFFFAOYSA-N
+rxn:4:222195:224349,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)c2)CC1,KZNVADDPDPKJCE-UHFFFAOYSA-N
+rxn:4:222203:225186,O=C(c1cncc(-c2ccc(F)c(CN3CCSCC3)c2)c1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1,FPSSWYMFTOVBIP-UHFFFAOYSA-N
+rxn:4:222252:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2cnc(SC)nc2N(C)C2CN(c3nccnc3C#N)C2)cc1C,BFBPSOJQWAMDLJ-UHFFFAOYSA-N
+rxn:4:222253:224325,COc1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)c(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c1,RAZQHTBKNQOVFY-UHFFFAOYSA-N
+rxn:4:222264:224373,COc1ccc(-c2cncc(C(=O)N(C)C3CN(c4ccc5nnc(C6CC6)n5n4)C3)c2)cc1S(=O)(=O)N1CCCC1,UBKVJWFMTPODGL-UHFFFAOYSA-N
+rxn:4:222264:224396,Cc1cc(-c2cncc(C(=O)N(C)C3CN(c4ccc5nnc(C6CC6)n5n4)C3)c2)ccc1S(=O)(=O)N1CCOCC1,GALPKTPZCUOPNU-UHFFFAOYSA-N
+rxn:4:222264:224404,CN(C(=O)c1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)c1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1,QVKCOMFQLQWJLZ-UHFFFAOYSA-N
+rxn:4:222264:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cncc(C(=O)N(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)c1,AEYNBDXHCGHNNW-UHFFFAOYSA-N
+rxn:4:222273:224373,COc1ccc(-c2cncc(C(=O)N(C)C3CN(c4ccc5nnc(C6CCC6)n5n4)C3)c2)cc1S(=O)(=O)N1CCCC1,NIWAZMAMLSIWIU-UHFFFAOYSA-N
+rxn:4:222273:224818,CN(C(=O)c1cncc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1,ALLNSKQRUNHZKT-UHFFFAOYSA-N
+rxn:4:222287:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(-n5cncn5)nn4)CC3)c2)CC1,BIRNIYCQYAJJII-UHFFFAOYSA-N
+rxn:4:222333:222848,CCc1cc(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)cc(C2CCCNC2)n1,BWCAQGBPBWTWOC-UHFFFAOYSA-N
+rxn:4:222338:223602,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)CC2)n1,NMEMLVLNPUORSB-UHFFFAOYSA-N
+rxn:4:222346:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cncc(C(=O)N2CC3CN(c4ccc5nncn5n4)CC3C2)c1,HBCLYQLANSMHNY-UHFFFAOYSA-N
+rxn:4:222349:224373,COc1ccc(-c2cncc(C(=O)N3CC4CN(c5ncnc6c5ncn6C)CC4C3)c2)cc1S(=O)(=O)N1CCCC1,HGOALSWNDYVKDP-UHFFFAOYSA-N
+rxn:4:222349:224396,Cc1cc(-c2cncc(C(=O)N3CC4CN(c5ncnc6c5ncn6C)CC4C3)c2)ccc1S(=O)(=O)N1CCOCC1,ZYQXQXFDNNBAGP-UHFFFAOYSA-N
+rxn:4:222349:224404,Cn1cnc2c(N3CC4CN(C(=O)c5cncc(-c6ccc(S(=O)(=O)N7CCOCC7)c(F)c6)c5)CC4C3)ncnc21,HHMLAIQMZJDWAR-UHFFFAOYSA-N
+rxn:4:222349:224818,Cn1cnc2c(N3CC4CN(C(=O)c5cncc(-c6ccc(S(=O)(=O)N7CCSCC7)cc6)c5)CC4C3)ncnc21,BOOLPRBBQWSQTR-UHFFFAOYSA-N
+rxn:4:222361:224405,COCCn1cnc2c(N3CC4CN(c5ncc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCCC6)cn5)CC4C3)ncnc21,YOXLYIQHYLYYNZ-UHFFFAOYSA-N
+rxn:4:222362:224404,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)N7CCOCC7)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,NZORQIQMCOAVNY-UHFFFAOYSA-N
+rxn:4:222362:224405,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCCC6)cc6[nH]ncc56)nn4)cn3c2)CC1,LRCYDBVYWHVHJH-UHFFFAOYSA-N
+rxn:4:222513:186155,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc([N+](=O)[O-])ccc1OCC1CC1,SVVYNGPNAMZFKZ-UHFFFAOYSA-N
+rxn:4:222523:175300,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(OC(=O)OC(C)(C)C)cc2)c(C(F)(F)F)c1,PRBGNXKLIRKANP-UHFFFAOYSA-N
+rxn:4:222523:187189,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2)c(C(F)(F)F)c1,CDDMYLNQGFARLH-UHFFFAOYSA-N
+rxn:4:222523:206229,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC(F)(F)C3)n2)c(C(F)(F)F)c1,BMYPMXXJGNWWNP-UHFFFAOYSA-N
+rxn:4:222543:194697,CC(C)(C)OC(=O)NC1(c2ccc(-c3ccc4c(c3)C(=NS(=O)C(C)(C)C)CCC4)cc2)CC1,GCYRKCSXXHIMMN-UHFFFAOYSA-N
+rxn:4:222581:185308,CC(C)NS(=O)(=O)c1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccccc12,BKPLPEHLAZEQGS-UHFFFAOYSA-N
+rxn:4:222600:174528,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1,RVUUFCQCOXLQKU-UHFFFAOYSA-N
+rxn:4:222742:187939,O=C(c1cc2ccccc2oc1=O)N(c1ccc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc1)C1C=CS(=O)(=O)C1,CIMUEQFFAGFVIU-UHFFFAOYSA-N
+rxn:4:222901:207854,CCCS(=O)(=O)NCc1ccc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)cc1,GTQDWUOQFVSSKR-UHFFFAOYSA-N
+rxn:4:222910:199486,CCCNS(=O)(=O)c1ccc(-c2c(C(F)F)nn(CC(=O)OCC)c2C2CC2)c(C)c1,VGRCCLUUZVMIMY-UHFFFAOYSA-N
+rxn:4:222940:185026,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)c1,HFHKFNDCMHECTL-UHFFFAOYSA-N
+rxn:4:222940:187821,CC(C)(C)NS(=O)(=O)c1cncc(-c2cccc3c2CN(CC(=O)OC(C)(C)C)C3=O)c1,FSSUXQUNDHIZKW-UHFFFAOYSA-N
+rxn:4:223080:184884,CC(C)NS(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2/C=N/S(=O)C(C)(C)C)cc1,AQYHCANUIFZLPX-DHRITJCHSA-N
+rxn:4:223101:184693,CNS(=O)(=O)c1cc(-c2cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c2)ccc1OC,RLEOHKKORNKAMK-UHFFFAOYSA-N
+rxn:4:223102:184883,CC(C)(C)NS(=O)(=O)c1sccc1-c1cc(/C=N/S(=O)C(C)(C)C)ccc1OC(F)(F)F,LJEYVTNCTLEWMV-WYMPLXKRSA-N
+rxn:4:223570:187189,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4CN(C(=O)OC(C)(C)C)C4)cc3)c(F)ncc21,HOGFOAROLSABJW-UHFFFAOYSA-N
+rxn:4:223570:206699,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(CN4CCC(F)(F)CC4)ccn3)c(F)ncc21,ADXLASMTPASVEE-UHFFFAOYSA-N
+rxn:4:223900:204582,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2ccc3c(ccn3CC(=O)N3CCSCC3)c2)cc1F,XMRYSQVZCIKMHJ-UHFFFAOYSA-N
+rxn:5:176587:223062:225607,CCOC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(C(C)N2CCCCC2)s1,CCHWPGXRMQENDS-UHFFFAOYSA-N
+rxn:5:176871:223008:223056,COC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)c(OC)cc1-c1cc(C2CCNCC2)ccc1F,BPHMMRRGRRRYHM-UHFFFAOYSA-N
+rxn:5:177180:226426:225833,CCOC(=O)c1c(C)cc(-c2ccc(N3CCC(C)CC3)s2)cc1-c1ccnc(N2CCCCC2)c1F,ZBPQEDCNAVLSSC-UHFFFAOYSA-N
+rxn:5:177181:223064:223064,CC(C)OC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2ccc(C3CCNCC3)nc2F)c1,OGBQARGGOCFVQE-UHFFFAOYSA-N
+rxn:5:177184:225639:223065,CCOC(=O)c1c(-c2ccc(N3CCNCC3)cc2F)ccc(C)c1-c1cccnc1N1CCC(C)CC1,WYASMYGAQIMOEA-UHFFFAOYSA-N
+rxn:5:177186:225576:223063,CCOC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2ccc(N3CCCC3)c(C#N)c2)cc1C,NFTWWSNYFUTGMS-UHFFFAOYSA-N
+rxn:5:177186:226662:223061,CCOC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(N3CCN(C)CC3)s2)cc1C,JNRLRUDGFXZOIW-UHFFFAOYSA-N
+rxn:5:177188:225833:222989,CCOC(=O)c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2ccc(N3CCNCC3)cc2C)c1C,ZWYCMHPPIQEBIQ-UHFFFAOYSA-N
+rxn:5:177190:222989:222980,CCS(=O)(=O)Cc1ccc(-c2ccc(CN3CCNCC3)cc2)c(-c2ccc(N3CCNCC3)cc2C)c1,IPXUWKGRGHYLHN-UHFFFAOYSA-N
+rxn:5:177190:223054:226649,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCOCC2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,COIKUSIPIQPWDH-UHFFFAOYSA-N
+rxn:5:177190:223138:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccnc(C3CCNCC3)c2)c1,GZOMTZJZHJXSTC-UHFFFAOYSA-N
+rxn:5:177190:225447:222405,CCS(=O)(=O)Cc1ccc(-c2cccc(C3NC(=O)NC3=O)c2)c(-c2ccc(OC3CCCCC3)cc2)c1,NSDSSEXXWJFLFN-UHFFFAOYSA-N
+rxn:5:177190:225607:227449,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCOCC3)s2)c(-c2ccc(C(C)N3CCCCC3)s2)c1,SJEJLSFBNGTWJF-UHFFFAOYSA-N
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+rxn:5:181908:225805:226183,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cnccc2C2CCCCC2)cc1C1OCCO1,SFAZRHNZLMXEBP-UHFFFAOYSA-N
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+rxn:5:188874:222998:223065,CON(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cc(F)cc(C2CCCNC2)c1,CVIMRSFLIJNHFW-UHFFFAOYSA-N
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+rxn:5:189001:226441:223007,COC(=O)C1(c2nc(-c3cc(F)cc(C4CCNCC4)c3)ccc2-c2ccc(N3CCCC3)cc2F)CC1,ZAUDDYNXOMVYNH-UHFFFAOYSA-N
+rxn:5:189083:223065:225978,CCN(C)C(=O)c1cccc(-c2ccc(N3CCNCC3)cc2F)c1-c1ccc(N2CCOCC2)nc1F,FCGNXXJGKJSUFO-UHFFFAOYSA-N
+rxn:5:189207:226412:228306,CC(C)Sc1ncc(-c2ccc(-c3cc(F)cc(N4CCCC4)c3)cc2C(=O)ON2C(=O)CCC2=O)cn1,JTMFGZSYTRKUDR-UHFFFAOYSA-N
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+rxn:5:189209:228125:223006,CC(C)Oc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(F)c(C4CCNCC4)c3)c2)ccn1,LQQUULRVXAROKZ-UHFFFAOYSA-N
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+rxn:5:189209:228306:223131,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(N4CCNCC4)cc3)c2)cn1,URDOLKKGVJIEBV-UHFFFAOYSA-N
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+rxn:5:189334:225439:226422,CC(c1cccc(-c2cnc(C(=O)OC(C)(C)C)c(-c3cc(F)ccc3N3CCCC3)c2)c1)N1CCCC1,FSRFSCZBNMWYRE-UHFFFAOYSA-N
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+rxn:5:189718:223294:228490,O=[N+]([O-])c1cc(-c2cccc(S(=O)(=O)F)c2)c(-c2csc(N3CCNCC3)n2)cc1OC1CCOCC1,FKTHYTXVYFQOEJ-UHFFFAOYSA-N
+rxn:5:189827:225597:227040,Cc1ccc(OC(C)C)c(-c2ccc(CC(=O)N3CCOCC3)cc2-c2ccc(OC3CCCCC3)nc2)c1,JFHVIUUMXKVHNG-UHFFFAOYSA-N
+rxn:5:189910:227379:225980,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2cccnc2N2CCCC2)cc1CCN1CCOCC1,HOQPMTQZSMKJQQ-UHFFFAOYSA-N
+rxn:5:189952:223064:227379,COc1c(-c2ccc(C3CCNCC3)nc2F)cc(C(=O)N2CCOCC2)cc1-c1cccnc1N1CCCC1,IBOLFNGKNXXWCY-UHFFFAOYSA-N
+rxn:5:189952:223113:225803,COc1c(-c2ccnc(OC3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,FXNLYBDFCVNNAH-UHFFFAOYSA-N
+rxn:5:189952:226710:227711,COc1c(-c2ccc(F)c(OC(F)F)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc(F)c([Si](C)(C)C)c1F,WBCZLNILINTTNA-UHFFFAOYSA-N
+rxn:5:190000:225602:222996,N#CC1(c2ccc(F)c(-c3cc(-c4ccc(F)cc4C4CCCNC4)ccc3CC(=O)N3CCCCC3)c2)CCC1,ILOPFYJCAPPCDU-UHFFFAOYSA-N
+rxn:5:190128:227052:227073,COc1cc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(SC(C)(C)C)cc2)cc(C2CC2)c1,MTUFAHDYSAQIOI-UHFFFAOYSA-N
+rxn:5:190128:227587:226907,COc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cccc3c2CCC32CC2)cc(F)c1OC,VMVDPADCHRECAR-UHFFFAOYSA-N
+rxn:5:190128:228079:226149,COc1ccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cccc3c2COC3=O)cc1C(C)(C)C,SUXLWKVEHJUMLV-UHFFFAOYSA-N
+rxn:5:190131:229025:225927,COc1c(-c2cc(C(F)(F)F)ccc2N(C)C)cc(C(=O)N2CCCCC2)cc1-c1cc(C)n(C)c1C,HXARGPGIYNFXAP-UHFFFAOYSA-N
+rxn:5:190195:223113:223006,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(F)c(C3CCNCC3)c2)c1)C1CCOCC1,ATXQGVKFPNLBCF-UHFFFAOYSA-N
+rxn:5:190198:226420:225639,CC1CCN(c2ncccc2-c2cccc(-c3ccc(F)c(N4CCCC4)c3)c2CN(C)C2CCOCC2)CC1,IXNQPTNQNHKLLZ-UHFFFAOYSA-N
+rxn:5:190198:228397:225439,COc1cc(-c2cccc(-c3cccc(C(C)N4CCCC4)c3)c2CN(C)C2CCOCC2)cc(F)c1F,YJDQVUPTWDFPNC-UHFFFAOYSA-N
+rxn:5:190199:223113:227316,CC(C)Cc1cc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(=O)N4)c(CN(C)C3CCOCC3)c2)cc(F)n1,RUWRIZRFBOJBPH-UHFFFAOYSA-N
+rxn:5:190201:226138:226576,Cc1cc(C#N)cc(C2CC2)c1-c1ccc(-c2ccc(F)c(C(=O)N(C)C)c2)c(CCN2CCOC(C)C2)c1,IITMKHDJQKNDEP-UHFFFAOYSA-N
+rxn:5:190231:227346:228211,CCCc1cc(F)c(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3cc(N4CCCC4)cs3)c2OC)c(F)c1,QPFOSRJDWNWBQA-UHFFFAOYSA-N
+rxn:5:190264:226576:222988,Cc1cc(-c2ccc(CC(=O)N3CCC(C)CC3)cc2-c2ccc(F)c(C(=O)N(C)C)c2)cc(C2CCNCC2)n1,LXWNZDQGLYUTAO-UHFFFAOYSA-N
+rxn:5:190265:227826:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(CC(=O)N2CCCC(C)C2)cc1-c1cccc(C(C)(C)C)c1,DBWLDKZFEIIFCW-UHFFFAOYSA-N
+rxn:5:190299:226658:227933,CCc1ccc(OC)cc1-c1ccc(N2C(=O)SC(=Cc3cc(-c4ccc(N5CCCC5)nc4F)ccc3OC)C2=O)cc1,BMAUNVPAHIGXIC-UHFFFAOYSA-N
+rxn:5:190307:225886:225601,CC1CCN(CCc2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(C3(C#N)CCC3)cc2F)CC1,SEJXPJQSLVVIFD-UHFFFAOYSA-N
+rxn:5:190336:226450:223017,COC(=O)c1cccc2cc(-c3cc(C(=O)N4CCCC(C)C4)cc(-c4cccc(C5(C)OCCO5)c4)c3OC)[nH]c12,ZHKRPOYESWZTOI-UHFFFAOYSA-N
+rxn:5:190337:227764:227964,COc1c(-c2cncc(C3(C)CC3)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1cc(F)c(C(F)F)c(F)c1,QBHVXABLKDKORM-UHFFFAOYSA-N
+rxn:5:190353:226328:226037,COc1c(C(F)(F)F)ccc(-c2ccc(-c3ccc(C(C)(C)C#N)c(F)c3)cc2C(=O)N2CCC(c3ccccc3)C2)c1F,SXDPBHRAADEMRB-UHFFFAOYSA-N
+rxn:5:190484:223295:227438,CS(=O)(=O)Nc1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnc(C5CCOC5)c4)S(=O)(=O)CC3)c2)c1,JERRZQYGJJPFGL-UHFFFAOYSA-N
+rxn:5:190484:227279:228918,CC(C)n1nc(C2CC2)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnccc3C(F)F)S(=O)(=O)CC2)c1,QFIOPPXNIZYHIZ-UHFFFAOYSA-N
+rxn:5:190484:227703:223240,COC(=O)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCNC5)nc4)S(=O)(=O)CC3)c2)cnc1F,ROANATTZCGKWHR-UHFFFAOYSA-N
+rxn:5:190484:227808:227018,CC(C)(C#N)c1ccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc5c(c4)CCCC5)c3)CCS2(=O)=O)cc1,ABZGYBQUXZBWEK-UHFFFAOYSA-N
+rxn:5:190484:227970:226437,CC(C)(C)c1cnccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C4CCCC4)ncc3F)S(=O)(=O)CC2)c1,TWXYGYCNXHCZDJ-UHFFFAOYSA-N
+rxn:5:190484:227975:226437,C[Si](C)(C)c1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CCCC5)ncc4F)S(=O)(=O)CC3)c2)c1,LCFLUERGFQQJOH-UHFFFAOYSA-N
+rxn:5:190484:228214:226146,O=C(c1cccc(-c2cnc(C3CC3)cc2F)c1)N1CCC(c2ccccc2-c2ccc(SC3CCCC3)cc2)S(=O)(=O)CC1,IAAJASQKGSQZEP-UHFFFAOYSA-N
+rxn:5:190484:228717:227491,Cc1nn(C2CC2)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnc(OC4CCC4)nc3)S(=O)(=O)CC2)c1,VHTMDOQKYVOYMV-UHFFFAOYSA-N
+rxn:5:190740:223062:225834,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,IELLSEMPKFYIET-UHFFFAOYSA-N
+rxn:5:190741:225804:225638,CCOC(=O)c1cnc2c(-c3ccc(C(=O)N4CCC4)c(F)c3)cc(C)cc2c1-c1ccc(N2CCC(C)CC2)nc1,KCIKPJSAVWTHQP-UHFFFAOYSA-N
+rxn:5:190741:225834:223062,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,JPIMFXDXCFGQOV-UHFFFAOYSA-N
+rxn:5:190741:225881:223061,CCOC(=O)c1cnc2c(-c3ccc(C4CCOCC4)nc3F)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,ZZKBBFWUCSXXDP-UHFFFAOYSA-N
+rxn:5:190741:225976:223062,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,YAKHRVGPWLTBQW-UHFFFAOYSA-N
+rxn:5:190741:225978:225978,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)cc(C)cc2c1-c1ccc(N2CCOCC2)nc1F,JBXFFUDHVZOMMF-UHFFFAOYSA-N
+rxn:5:190741:226427:225834,CCOC(=O)c1cnc2c(-c3cc(N4CCC(C)CC4)cs3)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,NCXVSMZZCLKONR-UHFFFAOYSA-N
+rxn:5:190742:223056:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cnc(N2CCOCC2)cc1F,XRENYLQBOOBXGG-UHFFFAOYSA-N
+rxn:5:190743:225595:223056,CCOC(=O)c1cnc2c(C)c(-c3ccc(F)c(CN4CCCC4)c3)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,KIWOUWIZYPDIHA-UHFFFAOYSA-N
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