diff --git "a/Q92769_molecules.csv" "b/Q92769_molecules.csv"
--- "a/Q92769_molecules.csv"
+++ "b/Q92769_molecules.csv"
@@ -1,86856 +1,3 @@
-Molecule_ID,SMILES,InChI_Key
-rxn:3:11407:56245:129999,C[C@@H](C(=O)Nc1ccccc1OS(=O)(=O)F)n1cc(C2CC2Cn2cc(C3CCN(C4CCCC4)CC3)nn2)cn1,KOOPOIFEMMKGSU-RNQSCQIESA-N
-rxn:3:12049:65390:110553,CC(NC(=O)Cn1cc(N2CC(Cn3cc(C4(N(C)C)CCCCC4)nn3)CC2=O)cn1)c1cccc2sccc12,UMXPPYKSKMVZTC-UHFFFAOYSA-N
-rxn:3:17879:59852:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccn4C4CCSC4)nn3)C2)CCO1,ZXGJCLIKMWPEJI-MBCNRGBWSA-N
-rxn:3:17883:59852:81395,CC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5ccnn5-c5cc(C6CC6)ccn5)nn4)C3)CCO2)CS(=O)(=O)C1,HQJDHZPMQZDQPM-JIISWEIGSA-N
-rxn:3:17897:59852:132400,CC(C)c1cccc(-n2nccc2-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCS(C)(=O)=O)C4)C3)nn2)n1,CPDMLJOHQLLMJQ-GNPFLCDCSA-N
-rxn:3:17903:59852:70780,CCS(=O)(=O)CNC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(-c5cc(C6CCC6)ccn5)c4)nn3)C2)CCO1,AZZLJIHJCKBJQP-DXCPIXMJSA-N
-rxn:3:18809:59852:81931,CC(C1CC1)n1nccc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCc4ccc(S(=O)(=O)F)s4)C3)C2)nn1,LSPQXTCALSMHNE-RWQLFJTDSA-N
-rxn:3:18812:59852:81931,CC(C1CCC1)n1nccc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCc4ccc(S(=O)(=O)F)s4)C3)C2)nn1,HCTZVZIKNOAXMG-DHYJKAKLSA-N
-rxn:3:18813:59852:81931,CC(C1CCCC1)n1nccc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCc4ccc(S(=O)(=O)F)s4)C3)C2)nn1,UJYIMPQKYMECOD-QRFFXBAXSA-N
-rxn:3:18814:59852:81931,CC(C1CCCCC1)n1nccc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCc4ccc(S(=O)(=O)F)s4)C3)C2)nn1,MPSAYWMURCSOKN-RDQXJMKESA-N
-rxn:3:18899:59852:121443,CC(c1ccccc1F)n1nccc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NOS(C)(=O)=O)C3)C2)nn1,MWHRRNSOIVCQMQ-AAXCNWCCSA-N
-rxn:3:18899:59852:132400,CC(c1ccccc1F)n1nccc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCS(C)(=O)=O)C3)C2)nn1,XAYXXUPQPRYWMR-PRFRBYCISA-N
-rxn:3:19200:59852:81931,CC(C1CCCC1)n1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCc5ccc(S(=O)(=O)F)s5)C4)C3)nn2)cn1,LKVHPIOKIARZNT-MXVKMEDKSA-N
-rxn:3:23801:59852:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(C4(n5cccn5)CCSCC4)nn3)C2)CCO1,SVXMENRZIGLORK-TXUOUNKJSA-N
-rxn:3:23801:59852:151955,O=C(Nc1ccc2ccc(OS(=O)(=O)F)cc2c1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(C4(n5cccn5)CCSCC4)nn3)C2)CCO1,UDDGQIAGTANIBJ-ONCFSFCTSA-N
-rxn:3:23873:59852:81931,CN1CCC[C@H]1c1cncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCc5ccc(S(=O)(=O)F)s5)C4)C3)nn2)c1,YVEXHWHOYGEZMK-DYCINWIGSA-N
-rxn:3:28569:59852:70780,CCS(=O)(=O)CNC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccc(C5CC5)n4)nn3)C2)CCO1,XZXOPLURWMZAQY-SCCQQYQZSA-N
-rxn:3:31170:59852:140472,CC(C)c1ccnc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC(CS(=O)(=O)F)CC5)C4)C3)nn2)c1,VZQJJGYJOGATSR-KRDQVDGESA-N
-rxn:3:31170:59852:90515,CC(C)c1ccnc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)N[C@H]5CC[C@@H](CS(=O)(=O)F)CC5)C4)C3)nn2)c1,VZQJJGYJOGATSR-POPSIVCCSA-N
-rxn:3:31170:59852:98129,CC(C)c1ccnc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC(CS(=O)(=O)F)C5)C4)C3)nn2)c1,ZOVHFXNEWJVRGL-XYBZJHLNSA-N
-rxn:3:31337:59852:140472,CC(C)c1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC(CS(=O)(=O)F)CC5)C4)C3)nn2)ccn1,ZLRCCTUYVFDBNP-KRDQVDGESA-N
-rxn:3:31337:59852:90515,CC(C)c1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)N[C@H]5CC[C@@H](CS(=O)(=O)F)CC5)C4)C3)nn2)ccn1,ZLRCCTUYVFDBNP-POPSIVCCSA-N
-rxn:3:31490:59852:140472,CC(C)c1cccc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC(CS(=O)(=O)F)CC5)C4)C3)nn2)n1,JJZUXXGREPBGBM-IFFPTGKISA-N
-rxn:3:31490:59852:90515,CC(C)c1cccc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)N[C@H]5CC[C@@H](CS(=O)(=O)F)CC5)C4)C3)nn2)n1,JJZUXXGREPBGBM-CXHBAANASA-N
-rxn:3:32271:59852:70780,CCS(=O)(=O)CNC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cc5nc(C6CC6)cn5cc4F)nn3)C2)CCO1,WGZIZUAXPXHUGR-AHTUAUCYSA-N
-rxn:3:36010:59852:65938,CCn1nccc1-c1cccc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5COCCS(=O)(=O)C5)C4)C3)nn2)c1F,SFLVJUBLYWENKX-AUQBZJPASA-N
-rxn:3:36010:59852:95622,CCn1nccc1-c1cccc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NOC5CCS(=O)(=O)C5)C4)C3)nn2)c1F,HVVOGNPSCAZYRI-BJIACPIKSA-N
-rxn:3:36914:59852:121443,CCn1nccc1-c1cc(F)cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NOS(C)(=O)=O)C4)C3)nn2)c1,YJJNHBJOIWOYMJ-BMZIXDSZSA-N
-rxn:3:36914:59852:132400,CCn1nccc1-c1cc(F)cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCS(C)(=O)=O)C4)C3)nn2)c1,GAGWVJKLDARCAQ-ZSUSVGCRSA-N
-rxn:3:36914:59852:136281,CCn1nccc1-c1cc(F)cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5CS(=O)(=O)CCO5)C4)C3)nn2)c1,OJMCTJBPXDQLBL-MPQBQSFRSA-N
-rxn:3:36914:59852:65938,CCn1nccc1-c1cc(F)cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5COCCS(=O)(=O)C5)C4)C3)nn2)c1,NUSSEUOBVGWHOA-GNXUWSFGSA-N
-rxn:3:40441:6403:77949,CN1CCN(c2ncc(-c3cn(CC=Cc4cnc(C(=O)NC5CCC(S(=O)(=O)c6ccccc6)CC5)nc4)nn3)cn2)CC1,WPEMPWLOKUPZLW-UHFFFAOYSA-N
-rxn:3:40559:6404:105960,CN1CCCN(c2ncc(-c3cn(CC=Cc4cccc(C(=O)NCC(c5ccccc5)S(C)(=O)=O)n4)nn3)cn2)CC1,FLGXJOKPRWDTBD-UHFFFAOYSA-N
-rxn:3:40560:23158:130416,CCN1CCC(c2cn(CC=Cc3ccc(C(=O)N[C@@H](c4ccc(OC)c(C)c4)C4CCCC4)cn3)nn2)C1,PMMFYDHKXSAQTM-NPRFROTHSA-N
-rxn:3:40560:6404:77949,CN1CCCN(c2ncc(-c3cn(CC=Cc4ccc(C(=O)NC5CCC(S(=O)(=O)c6ccccc6)CC5)cn4)nn3)cn2)CC1,CWDBWRVLSATCPV-UHFFFAOYSA-N
-rxn:3:40561:23143:124278,CCN1CC(c2cn(CC=Cc3ncccc3C(=O)N[C@@H](c3ccccc3OC)C3CCCC3)nn2)C1,GOSJVVPKQLKZDY-MUUNZHRXSA-N
-rxn:3:40561:23158:124278,CCN1CCC(c2cn(CC=Cc3ncccc3C(=O)N[C@@H](c3ccccc3OC)C3CCCC3)nn2)C1,IMSHDTIXUSQSAF-GJQLDDCUSA-N
-rxn:3:40562:6403:77949,CN1CCN(c2ncc(-c3cn(CC=Cc4ccnc(C(=O)NC5CCC(S(=O)(=O)c6ccccc6)CC5)c4)nn3)cn2)CC1,NTIJKALTYYUECT-UHFFFAOYSA-N
-rxn:3:40562:6404:114947,CN1CCCN(c2ncc(-c3cn(CC=Cc4ccnc(C(=O)N[C@@H](c5ccc(S(C)(=O)=O)cc5)C5CC5)c4)nn3)cn2)CC1,NBVDIJFQAYKPFD-SSEXGKCCSA-N
-rxn:3:40755:9248:88212,COc1ccc2sc(NC(=O)c3cc(F)cc(C=CCn4cc(C(CN5CCCCC5)N5CCCCC5)nn4)c3)cc2c1,SFYUTOIQUPTSIF-UHFFFAOYSA-N
-rxn:3:40917:39007:114752,COCCC1(CNC(=O)c2cc(C=CCn3cc(-c4ncc(C)cc4F)nn3)cnc2F)CCCOC1,RKKDAZMHXCWXIP-UHFFFAOYSA-N
-rxn:3:40917:6404:77949,CN1CCCN(c2ncc(-c3cn(CC=Cc4cnc(F)c(C(=O)NC5CCC(S(=O)(=O)c6ccccc6)CC5)c4)nn3)cn2)CC1,FCTTVPIYIQKKQZ-UHFFFAOYSA-N
-rxn:3:40919:6998:117126,CCc1ncnc(-c2cn(CC=Cc3cc(C(=O)N[C@H](c4ccc(OC)c(C)c4)C4CCOCC4)c(F)cn3)nn2)c1F,CKCBMLUGGSSWRI-LJAQVGFWSA-N
-rxn:3:40920:6403:122792,CN1CCN(c2ncc(-c3cn(CC=Cc4nccc(C(=O)NC(CS(C)(=O)=O)c5cccs5)c4F)nn3)cn2)CC1,IUUNIROMGTVIPF-UHFFFAOYSA-N
-rxn:3:40920:6404:77949,CN1CCCN(c2ncc(-c3cn(CC=Cc4nccc(C(=O)NC5CCC(S(=O)(=O)c6ccccc6)CC5)c4F)nn3)cn2)CC1,JQZHVQXNCBIUTO-UHFFFAOYSA-N
-rxn:3:40920:9248:126085,COc1ccc2c(NC(=O)c3ccnc(C=CCn4cc(C(CN5CCCCC5)N5CCCCC5)nn4)c3F)cccc2c1,FDGPFMCXQQIAAW-UHFFFAOYSA-N
-rxn:3:41100:39139:130515,COc1ccc(C(=O)Nc2ccc3sccc3c2)cc1C=CCn1cc(C(CN2CCCC2)N2CCCC2)nn1,PVVNZNMAUAVXQZ-UHFFFAOYSA-N
-rxn:3:41101:39139:152314,COc1c(C=CCn2cc(C(CN3CCCC3)N3CCCC3)nn2)cccc1C(=O)Nc1ccc2c3c(cccc13)CS(=O)(=O)C2,FPQMRFVPUFDGEK-UHFFFAOYSA-N
-rxn:3:41101:6366:122069,COc1c(C=CCn2cc(-c3ccnc(C4CC4)n3)nn2)cccc1C(=O)NC1(c2cccc(S(C)(=O)=O)c2)CCCC1,AICCUSSBCMTDIM-UHFFFAOYSA-N
-rxn:3:41109:39139:82949,COc1ccc(C(=O)Nc2cccc3sccc23)c(C=CCn2cc(C(CN3CCCC3)N3CCCC3)nn2)c1,IFHFIZSHSHGNFV-UHFFFAOYSA-N
-rxn:3:41118:29726:71510,CSc1ncc(C=CCn2cc(C3=CCCCCCCCCCC3)nn2)c(C(=O)NCCS(=O)(=O)c2cccs2)n1,ZNTXQDLNKNKJON-UHFFFAOYSA-N
-rxn:3:43040:6998:114752,CCc1ncnc(-c2cn(CC#Cc3cnc(F)c(C(=O)NCC4(CCOC)CCCOC4)c3)nn2)c1F,ZXKSLQHSFJKGMX-UHFFFAOYSA-N
-rxn:3:43417:39139:160851,COc1cccc2oc(=O)c3cc(NC(=O)C4CC=CC(n5cc(C(CN6CCCC6)N6CCCC6)nn5)C4)ccc3c12,QCCHEAHBKXMFFG-UHFFFAOYSA-N
-rxn:3:43417:8620:123756,COc1c(CCNC(=O)C2CC=CC(n3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C2)ccc2sccc12,LXQZHMFRWFQQRY-UHFFFAOYSA-N
-rxn:3:46343:6403:77949,CN1CCN(c2ncc(-c3cn(CCC=Cc4nccc(C(=O)NC5CCC(S(=O)(=O)c6ccccc6)CC5)c4F)nn3)cn2)CC1,ZGEDSGKYRMPQAA-UHFFFAOYSA-N
-rxn:3:46365:28575:134420,CCc1cccnc1-c1cn(CCC=Cc2cnc(C(=O)NC3(c4ccc(OC)cc4)CCC(F)(F)CC3)c(C)c2)nn1,IUDPVWUEPAXHQF-UHFFFAOYSA-N
-rxn:3:47746:6474:140297,COc1cc(OCC2CCCC2)ccc1NC(=O)c1cn(C2CC2)c2c(F)c(-n3cc(-c4cnn(C5CCC5)c4)nn3)c(F)cc2c1=O,MIOHGWHDOSZTII-UHFFFAOYSA-N
-rxn:3:50434:6402:103383,COc1ccc(OC)c2c1CCC2NC(=O)c1ccnc(C2C(Cn3cc(-c4cnc(N5CCCCCC5)nc4)nn3)C2(F)F)c1,DDXYXVNMGLTZDA-UHFFFAOYSA-N
-rxn:3:50439:18642:77346,CCc1nn(CC2CC2)cc1-c1cn(CC2C(c3ccnc(C(=O)NC4CC5(CCC5)Oc5ccc(OC)cc54)c3)C2(F)F)nn1,NCMIWMZAAITKAB-UHFFFAOYSA-N
-rxn:3:50439:2259:66743,CCN1CCC(c2cn(CC3C(c4ccnc(C(=O)N[C@@H](c5ccccc5OC)C5CC5)c4)C3(F)F)nn2)CC1,UAUVRURQZHVGLN-BHOIILBASA-N
-rxn:3:50439:31939:75992,COc1ccccc1[C@@H](NC(=O)c1cc(C2C(Cn3cc(-c4cc(N(C)C)ccn4)nn3)C2(F)F)ccn1)C1CCOCC1,NCMAMSHRIJNZIY-IFVGDZTKSA-N
-rxn:3:50700:18811:77346,CCC(C)n1nccc1-c1cn(CC2C(c3ccc(C(=O)NC4CC5(CCC5)Oc5ccc(OC)cc54)c(C)c3)C2(F)F)nn1,XULLTKCCKMZPAZ-UHFFFAOYSA-N
-rxn:3:50788:12049:103926,C[C@@H](C(=O)Nc1scc2c1COC2)n1cc(C2C(Cn3cc(C4(N(C)C)CCCCC4)nn3)C2(F)F)cn1,YXWDKNRCROHUSV-LYGRKUJNSA-N
-rxn:3:50874:39600:111034,CC1CC1(C)NC(=O)Cc1ccc(C2C(Cn3cc(CN4CCCC(N(C)C)C4)nn3)C2(F)F)cn1,HJPWSGQWDFCGTH-UHFFFAOYSA-N
-rxn:3:50874:39600:76535,C[C@H]1C[C@]1(C)NC(=O)Cc1ccc(C2C(Cn3cc(CN4CCCC(N(C)C)C4)nn3)C2(F)F)cn1,HJPWSGQWDFCGTH-FSSJCWTCSA-N
-rxn:3:50874:7852:104005,Cc1c(NC(=O)Cc2ccc(C3C(Cn4cc(C5(N(C)C)CCN(C)CC5)nn4)C3(F)F)cn2)sc2c1CCCC2,QTXYCXHPUDCRTN-UHFFFAOYSA-N
-rxn:3:51042:2974:95235,COc1ccc(C2C(Cn3cc(-c4cn(C)c5ncccc45)nn3)C2(F)F)cc1C(=O)N[C@@H](c1ccccc1OC)C1CCCCC1,DYLMOKMQUWOGNL-QJWJPGTESA-N
-rxn:3:51060:16887:83480,CCC(C)n1ncc(-c2cn(CC3C(c4ccc(C(=O)NC(C)C)c(OC)c4)C3(F)F)nn2)c1C1CCCC1,QMBTWDMWWSZCIA-UHFFFAOYSA-N
-rxn:3:51063:6396:77830,COc1ccc(C2C(Cn3cc(-c4cnc(N5CCCC5)nc4)nn3)C2(F)F)c(C(=O)N[C@H]2CCOc3cc(OC)c(C)cc32)c1,JFAVNVFLGPZXCH-XTQOWRHRSA-N
-rxn:3:52486:2099:79529,Cc1ccc(NC(=O)c2ccnc(C3CC3CCn3cc(C(C)C4CCC4)nn3)c2)cc1S(=O)(=O)C1CCCC1,DYKKOEWSPSOPLV-UHFFFAOYSA-N
-rxn:3:52848:8620:128351,CC(C)C1(NC(=O)c2cc(C3CC3CCn3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)ncc2F)CC1,CXSKJQDTUDXKQQ-UHFFFAOYSA-N
-rxn:3:52848:8620:141744,CC1CC(NC(=O)c2cc(C3CC3CCn3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)ncc2F)C1,ARMQCMANOJLVGO-UHFFFAOYSA-N
-rxn:3:52848:8620:83480,CC(C)NC(=O)c1cc(C2CC2CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)ncc1F,HXBXRRVLDNRCRA-UHFFFAOYSA-N
-rxn:3:52849:2029:163450,COc1ccc2ccccc2c1[C@@H](NC(=O)c1ccnc(C2CC2CCn2cc(C3CCCN(C)C3)nn2)c1F)C1CC1,SGGNYKQWJNWGCA-NZBVTYGESA-N
-rxn:3:55244:9248:143730,O=C(NC1CS(=O)(=O)c2cc3c(cc21)CCC3)c1sccc1C1CC1Cn1cc(C(CN2CCCCC2)N2CCCCC2)nn1,PJUUZKPRJWSCLG-UHFFFAOYSA-N
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-rxn:3:55879:9248:124815,O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1ncccc1C1CC1Cn1cc(C(CN2CCCCC2)N2CCCCC2)nn1,JJSOINOQDVAFAJ-UHFFFAOYSA-N
-rxn:3:55879:9248:143730,O=C(NC1CS(=O)(=O)c2cc3c(cc21)CCC3)c1ncccc1C1CC1Cn1cc(C(CN2CCCCC2)N2CCCCC2)nn1,NCVIUIVRPBGVQO-UHFFFAOYSA-N
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-rxn:3:55881:6404:95398,CN1CCCN(c2ncc(-c3cn(CC4CC4c4cc(C(=O)NCc5ccc(S(C)(=O)=O)s5)ccn4)nn3)cn2)CC1,NOMZOEUXTJNPTK-UHFFFAOYSA-N
-rxn:3:55884:6404:95398,CN1CCCN(c2ncc(-c3cn(CC4CC4c4ccc(C(=O)NCc5ccc(S(C)(=O)=O)s5)cn4)nn3)cn2)CC1,WGBNATUIMGSQCP-UHFFFAOYSA-N
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-rxn:1:27914:59415,Nc1ncnc2c1ncn2C1OC(CO)C(n2cc(CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nn2)C1F,BNYMKGIJTBNWGQ-UHFFFAOYSA-N
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-rxn:1:31968:44531,COc1ncc(F)cc1C#CCCn1cc(N(CC2COC(C)(C)O2)S(C)(=O)=O)nn1,QHOMODZINFOTFU-UHFFFAOYSA-N
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-rxn:1:44413:29852,COc1ccc(CN2CCCOc3ccccc3C(=O)NCC3(CCC2)CCN(C(=O)c2cn(-c4cccnc4Cl)nn2)CC3)cn1,FCVZEZQARQGXAD-UHFFFAOYSA-N
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-rxn:1:44531:31968,COc1ncc(F)cc1C#CCCn1cc(N(CC2COC(C)(C)O2)S(C)(=O)=O)nn1,QHOMODZINFOTFU-UHFFFAOYSA-N
-rxn:1:45319:30311,COc1ncc(CN2CCCOc3ccccc3C(=O)NCC3(CC2)CCN(C(=O)c2cn(-c4cc5cccc(Br)c5oc4=O)nn2)CC3)cn1,JRJFJBMFCMLPEY-UHFFFAOYSA-N
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-rxn:1:48814:9388,Nc1ncnc2c1ncn2C1CC(n2cc(COc3nc(F)c(Cl)c4c3N(C3CCCCC3)CCS4(=O)=O)nn2)C(CO)O1,WRSWGFCZKBJFEY-UHFFFAOYSA-N
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-rxn:1:49355:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn([C@@H]4CCC[C@H]4N4CCCN(C)CC4)nn3)c(C3CCCC3)n2)cc1,XJTFBPVFXCDOSZ-VSGBNLITSA-N
-rxn:1:49460:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)c5cn(C)c(C)n5)CC4)nn3)c2C2CCCCC2)cc1,ZVGLSAUREKFJBK-UHFFFAOYSA-N
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-rxn:1:49469:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCN(S(=O)(=O)c4ccccc4OC)CC3)nn2)CC1,IHIRELDDXSKXKJ-UHFFFAOYSA-N
-rxn:1:49470:34099,CN1CCC(CC(=O)Nc2ccncc2-c2cn(C3CCN(S(=O)(=O)Cc4ccccc4)CC3)nn2)CC1,HDBHCLVIFSHSGH-UHFFFAOYSA-N
-rxn:1:49471:16747,COc1cc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)Cc5ccccc5F)CC4)nn3)c2C2CCCCC2)ccc1O,OODDNDMKDGJHEA-UHFFFAOYSA-N
-rxn:1:49471:16749,COc1cccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)Cc5ccccc5F)CC4)nn3)c2C2CCCCC2)c1O,GIGHDVGJTHKDKN-UHFFFAOYSA-N
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-rxn:1:49472:16750,CCOc1ccccc1-n1ncc(-c2cn(C3CCN(S(=O)(=O)c4ccc(F)cc4C)CC3)nn2)c1C1CCCCC1,GMHUBIAWGRKEGX-UHFFFAOYSA-N
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-rxn:1:49480:10252,CCCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCOCC3)CC2)nn1,CHVWJQMSMKGPQP-UHFFFAOYSA-N
-rxn:1:49480:12788,COc1cccnc1NC(=O)c1ccc(-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)cc1,HOKIKIPVJBPJAO-UHFFFAOYSA-N
-rxn:1:49480:13758,COc1cccnc1NC(=O)c1cccc(-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)c1,FTAYDBJYQOXMAP-UHFFFAOYSA-N
-rxn:1:49480:25398,COc1cc(N2CC(c3cn(C4CCN(S(=O)(=O)N5CCOCC5)CC4)nn3)CC2=O)c2ncccc2c1,MAPRPNFMYISWGY-UHFFFAOYSA-N
-rxn:1:49480:34498,COc1ccc2ncc(C(=O)NC(C)c3cn(C4CCN(S(=O)(=O)N5CCOCC5)CC4)nn3)cc2c1,VOHRKZMRYQYKOX-UHFFFAOYSA-N
-rxn:1:49480:35692,COc1ccc2cc(C(=O)NC(C)c3cn(C4CCN(S(=O)(=O)N5CCOCC5)CC4)nn3)c(Cl)nc2c1,OQOUZRUNBROVQW-UHFFFAOYSA-N
-rxn:1:49480:37487,CCOC(=O)c1cc2cccc(-c3ccccc3-c3cn(C4CCN(S(=O)(=O)N5CCOCC5)CC4)nn3)c2[nH]1,LPJQAMAWCUJLJZ-UHFFFAOYSA-N
-rxn:1:49480:3965,CCc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCOCC3)CC2)nn1,VMEIKIUSPUKWOK-UHFFFAOYSA-N
-rxn:1:5045:59779,CCc1nc2scc(-c3ccco3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,FZWGRDVVOIOFEN-UHFFFAOYSA-N
-rxn:1:50887:9832,CCN1CCC2(CC1)CN(Cc1cn(CC3C(c4ccnc(C(=O)OC)c4)C3(F)F)nn1)c1cc3c(cc1N2)OCCO3,NNUZQSUNZQEVKS-UHFFFAOYSA-N
-rxn:1:51227:9464,CN(C)c1ccc2c(=O)c(C(=O)NCc3cn(CC4C(c5cnn([C@@H]6CCCCO6)c5)C4(F)F)nn3)c[nH]c2c1,OMZDYTPTLNAZLK-RZMWZJFBSA-N
-rxn:1:51468:31426,COC(=O)c1c[nH]c2ccc(C3C(Cn4cc(CN5CCC6(CC5)CCN(c5ncc(C(=O)O)cn5)CC6)nn4)C3(F)F)cc12,WLKRIDXNRRIPRM-UHFFFAOYSA-N
-rxn:1:51471:31426,COC(=O)c1ccc2c(C3C(Cn4cc(CN5CCC6(CC5)CCN(c5ncc(C(=O)O)cn5)CC6)nn4)C3(F)F)c[nH]c2c1,YOCYHUXHDQKCFQ-UHFFFAOYSA-N
-rxn:1:51841:36438,CCNc1nc(=O)n(C2CC(n3cc(-c4cc(F)ccc4-c4ccc(N5CCN(C)CC5)nc4)nn3)C(CO)O2)cc1C,YFPDFQNVINEHHS-UHFFFAOYSA-N
-rxn:1:51950:12819,Cc1cn(C2CC(n3cc(-c4ccc(C(=O)Nc5nccc(C)c5Br)cc4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,CSYGZXGYNDQACR-UHFFFAOYSA-N
-rxn:1:51950:12970,Cc1cn(C2CC(n3cc(-c4cccc(C(=O)OCc5ccc(Br)cn5)c4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,NJNVCKUZSMNXHK-UHFFFAOYSA-N
-rxn:1:51950:35740,COc1cc(Br)cnc1C(=O)Nc1ccc(-c2cn(C3CC(n4cc(C)c(N5CCCCC5)nc4=O)OC3CO)nn2)nc1,WXIGDKXIKBVHNV-UHFFFAOYSA-N
-rxn:1:52843:35113,CN1CCC(CC(=O)Nc2ccc(-c3cn(CCC4CC4c4ccc(Cl)nc4C(=O)O)nn3)nc2)CC1,YAUSABZFJBAIGF-UHFFFAOYSA-N
-rxn:1:5404:59887,CC(C)(C)OC(=O)N1CCC(=Cn2cc(Cn3ccc4c3CCN=C4c3ccc(Br)cc3)nn2)CC1,OVGRZENCSGTILB-UHFFFAOYSA-N
-rxn:1:55099:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(-c5nonc5-c5nonc5-c5nonc5[N+](=O)[O-])nn4)ncn3)CC2)OC1(C)C,CNKUUXWQMBBUOJ-UHFFFAOYSA-N
-rxn:1:56342:35512,CCN1CCCN(C(=O)c2ccc(-c3cn(CC4CC4c4ccnc(C(=O)OC)c4)nn3)cc2Cl)CC1,DEAYFQNXQVGPOV-UHFFFAOYSA-N
-rxn:1:56570:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cc(C(=O)OC)cnc3Cl)nn2)CC1,CABBCPQHSJNQOU-UHFFFAOYSA-N
-rxn:1:56578:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cnc(C(=O)OC)c(C)c3)nn2)CC1,UYRADBWHINHJQW-UHFFFAOYSA-N
-rxn:1:58153:33009,COc1ccn2cc(C(=O)NC(C)c3cn(CCNS(=O)(=O)N4CCC(C)CC4)nn3)nc2c1,FQFIEESBVALTRH-UHFFFAOYSA-N
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-rxn:1:59477:17799,CCCC(=O)c1cc(-c2cn(CC(=O)N3CCN(c4ccccc4OC)CC3)nn2)c2c(c1)C(CC)C(=O)N2,LMRGZPUQOSCITM-UHFFFAOYSA-N
-rxn:1:59477:17800,CCC(=O)c1cc(-c2cn(CC(=O)N3CCN(c4ccccc4OC)CC3)nn2)c2c(c1)C(CC)C(=O)N2,GQXIZLNYHJKFIE-UHFFFAOYSA-N
-rxn:1:59628:24105,COCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(-c3cn(C4CCN(C(=O)c5cnccn5)CC4)nn3)c(F)ccc2c1,JKCOIYCONFNASQ-UHFFFAOYSA-N
-rxn:1:59644:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(C4CCN(C(=O)c5cccc(OC)c5OC)CC4)nn3)cn2)CC1,NWOFBQPPZPWLOH-UHFFFAOYSA-N
-rxn:1:59645:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(C4CCN(C(=O)c5ccc(OC)cc5OC)CC4)nn3)cn2)CC1,NRXQZJIXDVMQAF-UHFFFAOYSA-N
-rxn:1:59717:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)c5cn(C)cn5)CC4)nn3)c2C2CCCCC2)cc1,GVQKQMNDXBBFPO-UHFFFAOYSA-N
-rxn:1:59717:34946,Cc1ccc(NC(=O)CC2CCCCC2)cc1-c1cn(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)nn1,VXKDHXRUTRXDRF-UHFFFAOYSA-N
-rxn:1:59718:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)c5cn(C)c(C)n5)C4)nn3)c2C2CCCCC2)cc1,JSTMRXVGFUQXSM-UHFFFAOYSA-N
-rxn:1:59739:35014,COC[C@@H]1CCCN1C(=O)c1ccc(-c2cn(C3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)nn2)c(C)c1,MQFJSOZVBMTEHS-QHCPKHFHSA-N
-rxn:1:59739:35306,COC[C@H]1CCCN1C(=O)c1ccc(-c2cn(C3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)nn2)c(C)c1,MQFJSOZVBMTEHS-HSZRJFAPSA-N
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-rxn:1:59779:10211,CCc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,WHKAXJHIULGYGH-UHFFFAOYSA-N
-rxn:1:59779:10251,CCCc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,ATHRJOQNIZTMJY-UHFFFAOYSA-N
-rxn:1:59779:10252,CCCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,DRWGGSFTIFCLBV-UHFFFAOYSA-N
-rxn:1:59779:10253,CCCc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,MKMWTAILIRIEFJ-UHFFFAOYSA-N
-rxn:1:59779:10265,CCCc1nc2scc(-c3cccs3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,AYBRGJQZGQSQSG-UHFFFAOYSA-N
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-rxn:1:59779:29031,Cc1sc2nc(SCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)nc(-n3[se]c4ncccc4c3=O)c2c1C,WHRNZJANMKTKDQ-UHFFFAOYSA-N
-rxn:1:59779:4599,Nc1c(-c2cccnc2)nc(C2CC2)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,ITKIOLZEDVTCML-UHFFFAOYSA-N
-rxn:1:59779:6942,NC(=O)c1cc(-c2cnccn2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,WMABWUBRQKZNOA-UHFFFAOYSA-N
-rxn:1:59780:13812,Cc1c(C#N)cccc1-c1cc(-c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc(N)n1,JCAPCXBNPKTEON-UHFFFAOYSA-N
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-rxn:1:59833:17131,COc1cc(-c2cn(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)nn2)ccc1-n1nc(Br)cc1C1CC1,DENDJAWQRYYUPV-UHFFFAOYSA-N
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-rxn:1:60053:30318,COc1cncc(CN2CCCOc3ccccc3C(=O)NCC3(CC2)CCN(C(=O)c2cn(Cc4cc5ccc(F)cc5[nH]c4=O)nn2)CC3)c1,QOFBRLBJLCVZGV-UHFFFAOYSA-N
-rxn:1:60053:30339,COc1ccc(CN2CCCOc3ccccc3C(=O)NCC3(CC2)CCN(C(=O)c2cn(Cc4cc5ccc(F)cc5[nH]c4=O)nn2)CC3)cn1,OFUXNOFNOCOJSG-UHFFFAOYSA-N
-rxn:1:60066:16760,COc1ccc(-n2ncc(-c3cn(C45CC(CN(S(=O)(=O)c6ccc(C)cc6)C4)C5)nn3)c2C2CCCCC2)cc1Cl,XZUWRYPYVDIBNW-UHFFFAOYSA-N
-rxn:1:60066:21273,Cc1ccc(S(=O)(=O)N2CC3CC(n4cc(-c5cc(C6CCCCC6)nn5Cc5cccc(F)c5O)nn4)(C3)C2)cc1,XIAMYTAEQSGXIB-UHFFFAOYSA-N
-rxn:1:60157:33366,Cc1ccc(NC(=O)Cc2ncc(Br)cn2)cc1-c1cn(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1,JVYJCCDGWSCSMI-GOSISDBHSA-N
-rxn:1:60287:35384,CCC1CCC(C(=O)Nc2ccc(C)c(-c3cn(CC4CCCN4S(=O)(=O)c4cn(C)cn4)nn3)c2)CC1,YQJJPBFBRQFYFQ-UHFFFAOYSA-N
-rxn:1:60287:35511,Cc1ccc(C(=O)NC2CCC(C)CC2)cc1-c1cn(CC2CCCN2S(=O)(=O)c2cn(C)cn2)nn1,YNCZKLGTDDUROI-UHFFFAOYSA-N
-rxn:1:60300:27381,Nc1nc(-c2ccc(N3CC(c4cn(C5CCCN(S(=O)(=O)C6CCCCC6)C5)nn4)CC3=O)cc2)cs1,WZOJNRPFPOLBPQ-UHFFFAOYSA-N
-rxn:1:60301:13165,COc1cc(NC(=O)c2cccc(-c3cn(CC4CCCN4S(=O)(=O)C4CCCCC4)nn3)c2)ccn1,IABRQJVLMQMAGB-UHFFFAOYSA-N
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-rxn:1:60314:15803,CCOc1ncccc1C(=O)N1CCC(n2cc(-c3cn(-c4cc(C(F)(F)F)ccc4OC)nc3C3CCCCC3)nn2)CC1,HVCJJEQSWXHIRD-UHFFFAOYSA-N
-rxn:1:60314:4348,CCOc1ncccc1C(=O)N1CCC(n2cc(-c3cccc(NC(=O)CN4CCNCC4)c3)nn2)CC1,ZDXGFCPGPOLXKP-UHFFFAOYSA-N
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-rxn:1:60315:35756,CCOc1ccc(C(=O)N2CCC(n3cc(-c4cc(Br)cnc4NC(=O)CC4(C)OCCO4)nn3)CC2)cn1,UXLXDWXHJSXRKB-UHFFFAOYSA-N
-rxn:1:60331:11999,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(CSc2nc3c(c(=O)[nH]2)C2(CCCC2)Cc2ccccc2-3)nn1,PGIJSVLTSDPIKF-UHFFFAOYSA-N
-rxn:1:60364:8503,COc1ccc(Cl)cc1NC(=O)N1CCC(n2cc(C(=O)N3CCOCC(Cc4cccn5nccc45)C3)nn2)C1,KYNWZSGWHATUOP-UHFFFAOYSA-N
-rxn:1:60409:2191,CCn1cc(Cn2cc(COc3c(Cl)cc(C4C5=C(CCCC5=O)OC5=C4C(=O)CCC5)cc3OC)nn2)c(-c2cnccn2)n1,VIIAKAHLTWBJJG-UHFFFAOYSA-N
-rxn:1:60581:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(Cc4c(C5CCC5)n[nH]c4C4CCC4)nn3)c2C2CCCCC2)cc1,FEXYDIQQYCDHAP-UHFFFAOYSA-N
-rxn:1:60608:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(Cc4c(C5CC5)n[nH]c4C4CCCC4)nn3)c2C2CCCCC2)cc1,GTYCXPDFSHTQKH-UHFFFAOYSA-N
-rxn:1:60652:17176,COc1cc(-c2cn(C3CCN(S(=O)(=O)Cc4ccccc4F)C3)nn2)ccc1-n1nc(C(=O)O)cc1C1CCCC1,KJENBAFTMOZPRT-UHFFFAOYSA-N
-rxn:1:60658:27381,Nc1nc(-c2ccc(N3CC(c4cn(C5CCN(S(=O)(=O)N6CCCCCC6)C5)nn4)CC3=O)cc2)cs1,XTGTYHHTRMQUND-UHFFFAOYSA-N
-rxn:1:60658:4599,Nc1c(-c2cccnc2)nc(C2CC2)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)C2)nn1,UMQDLKDLTAMCDR-UHFFFAOYSA-N
-rxn:1:60728:16001,COc1cc(-c2cn([C@@H]3C=CSC4=C3C[C@H](C)S4(=O)=O)nn2)ccc1-n1cc(N)c(C2CCCC2)n1,BZJCYTUDEHWDKX-YCRPNKLZSA-N
-rxn:1:60728:22767,C[C@H]1CC2=C(SC=C[C@H]2n2cc(-c3cncc(-n4nc(C5CCCCC5)c(Br)c4N)c3)nn2)S1(=O)=O,FPRINVWJIAMJJQ-VBKZILBWSA-N
-rxn:1:60728:22768,C[C@H]1CC2=C(SC=C[C@H]2n2cc(-c3cncc(-n4nc(C5CCCCC5)c(Cl)c4N)c3)nn2)S1(=O)=O,MSLRYHQWYJLWDV-VBKZILBWSA-N
-rxn:1:60728:22769,C[C@H]1CC2=C(SC=C[C@H]2n2cc(-c3cncc(-n4nc(C5CCCCC5)c(I)c4N)c3)nn2)S1(=O)=O,VZCCVMNIENBBRZ-VBKZILBWSA-N
-rxn:1:60728:29914,C[C@H]1CC2=C(SC=C[C@H]2n2cc(C(=O)N3CCC4(CCCN(Cc5ccncc5F)CCn5cc(cn5)C(=O)N(C)C4)CC3)nn2)S1(=O)=O,FLFMUXXDDVIVNS-MUAVYFROSA-N
-rxn:1:60903:10514,COC1CCOC2(CCN(CCn3cc(-c4cccc(NC(=O)c5cc(=O)c6cc(I)cc(F)c6[nH]5)c4)nn3)C2)C1,YOERWPAGTFQBAL-UHFFFAOYSA-N
-rxn:1:60903:33520,COc1ccc(F)c(C(=O)Nc2ccc(-c3cn(CCN4CCC5(CC(OC)CCO5)C4)nn3)nc2)c1F,YJKQKWVTHSDCMP-UHFFFAOYSA-N
-rxn:1:60909:32807,CCN(CCn1cc(COCC(=O)N2CCc3nn(C)cc3C2)nn1)C1CCSC1,CGFWEYYMTFKMIQ-UHFFFAOYSA-N
-rxn:1:60946:32937,Cc1cn([C@H]2CC(n3cc(C(C)NC(=O)c4ccc5ncc(Br)cc5c4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCC1,GVQSTRVIUHMAJY-BRHGBGBQSA-N
-rxn:1:61008:17243,ON=Cc1cc(C2CCCCC2)n(-c2ccc(-c3cn(CCN4CC5CCC(F)(F)C5C4)nn3)cc2)n1,VKXXGGBJAXCQKV-UHFFFAOYSA-N
-rxn:1:61019:11585,N#Cc1cc2c(nc1SCc1cn(CC(=O)N3CCN(CCF)CC3)nn1)CCCC2,BTCMSCQDTHKHOG-UHFFFAOYSA-N
-rxn:1:61019:9334,N#Cc1cc2c(nc1SCc1cn(CC(=O)N3CCN(CCF)CC3)nn1)CCCCC2,YULGWLMGCILCQG-UHFFFAOYSA-N
-rxn:1:61023:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(CCN4CCC(N5CCSCC5)CC4)nn3)c(C3CCCC3)n2)cc1,VGWKERKQWQAWKZ-UHFFFAOYSA-N
-rxn:1:61023:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CCC(N5CCSCC5)CC4)nn3)c2C2CCC2)cc1,PZKJMUMNBMKDKJ-UHFFFAOYSA-N
-rxn:1:61023:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CCC(N5CCSCC5)CC4)nn3)c2C2CCCCC2)cc1,ZLJREMOJXFVTBW-UHFFFAOYSA-N
-rxn:1:61029:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(CCN4CCN(C5CCSC5)CC4)nn3)c(C3CCCC3)n2)cc1,LNOWNKYDUFPPRJ-UHFFFAOYSA-N
-rxn:1:61029:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CCN(C5CCSC5)CC4)nn3)c2C2CCCCC2)cc1,HQBNHCCIWNVCCS-UHFFFAOYSA-N
-rxn:1:61031:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(CCN4CCN(C5CCSCC5)CC4)nn3)c(C3CCCC3)n2)cc1,DLCDRDPPXLYNCO-UHFFFAOYSA-N
-rxn:1:61031:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CCN(C5CCSCC5)CC4)nn3)c2C2CCC2)cc1,WWDRHSRXFPEFSP-UHFFFAOYSA-N
-rxn:1:61031:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CCN(C5CCSCC5)CC4)nn3)c2C2CCCCC2)cc1,FHTXKAFJXSDQPW-UHFFFAOYSA-N
-rxn:1:61031:32237,Cc1nc2ccc(Br)cn2c1C(=O)OCc1cn(CCN2CCN(C3CCSCC3)CC2)nn1,IAVNPHPWMPBQIP-UHFFFAOYSA-N
-rxn:1:61035:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(CCN4CCN(C5CCC5)CC4)nn3)c(C3CCCC3)n2)cc1,QJTGEPDSTNTDIB-UHFFFAOYSA-N
-rxn:1:61123:24105,COCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(-c3cn(C4CN(C(=O)c5cnccn5)C4)nn3)c(F)ccc2c1,JWTKRESHLCUONU-UHFFFAOYSA-N
-rxn:1:61133:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CN(C(=O)C5CC=CC5)C4)nn3)c2C2CCCCC2)cc1,MSFBVXHUABTDBP-UHFFFAOYSA-N
-rxn:1:61139:33596,COc1ccc(C(=O)N2CC(n3cc(CN4CCN(S(=O)(=O)c5cc(Cl)ccc5OC)CC4)nn3)C2)cn1,RVQDJNXBTOJSGC-UHFFFAOYSA-N
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-rxn:1:61206:9825,CCN1CCC2(CC1)CN(Cc1cn(C3CN(C(=O)c4cccnc4Cl)C3)nn1)c1cc(OC)c(OC)cc1N2,VTTQXQLRSDAGJY-UHFFFAOYSA-N
-rxn:1:61230:10750,COc1ncccc1C(=O)N1CC(n2cc(COc3ccc(CN4CCC5(CC4)CNC(=O)C5)cc3Cl)nn2)C1,VNJAVCMMJHYOFT-UHFFFAOYSA-N
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-rxn:1:61265:37203,CC(=O)N1CCC(N2CC(n3cc(-c4ccccc4-c4ccc5c(c4)CCN5S(C)(=O)=O)nn3)C2)CC1,ZNTBNBXMVAEXJR-UHFFFAOYSA-N
-rxn:1:61284:9975,COc1ccc(Br)cc1CN1CC(n2cc(Cn3cc(C(=O)NN4CCN(C)CC4)ccc3=O)nn2)C1,VULOQGKOBFGVOY-UHFFFAOYSA-N
-rxn:1:61436:32937,Cc1cn([C@H]2CC(n3cc(C(C)NC(=O)c4ccc5ncc(Br)cc5c4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,DJANKIYPPPYTIL-BESWTSONSA-N
-rxn:1:61459:29709,COC1CCN(C(=O)c2ccc(-c3cn(Cc4ccc(C(=O)N5CCN(C)CC5)s4)nn3)cc2)CC1,WKNVPHMQWVGVIZ-UHFFFAOYSA-N
-rxn:1:61463:11206,CN1CCN(S(=O)(=O)c2ccc(OCc3cn(Cc4ccc(C(=O)NC5CCCC5)s4)nn3)cc2)CC1,JMQHKAPKISWGLX-UHFFFAOYSA-N
-rxn:1:61463:17685,O=C(NC1CCCC1)c1ccc(Cn2cc(-c3cc(CC4CC4)n(C4CCCS(=O)(=O)C4)n3)nn2)s1,LQVOOACIGFOLAX-UHFFFAOYSA-N
-rxn:1:61464:8065,CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCCN(C(=O)c2cn(Cc3ccc(C(=O)NC4CCCCC4)s3)nn2)C1,DHZCLAGPLOTUMY-UHFFFAOYSA-N
-rxn:1:61488:8065,CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCCN(C(=O)c2cn(Cc3ccc(C(=O)NC4CCCCCC4)s3)nn2)C1,VYOKIOQKJCOFDO-UHFFFAOYSA-N
-rxn:1:61493:21240,CCN1CCN(C(=O)c2ccc(Cn3cc(-c4cc(C5CCCCC5)nn4Cc4ccc(OC)c(C)c4)nn3)s2)CC1,HRNSLICYXZNDAV-UHFFFAOYSA-N
-rxn:1:61493:5236,CCN1CCN(C(=O)c2ccc(Cn3cc(CN4CCC(c5ccc(OC)c(OC)c5)CC4)nn3)s2)CC1,RGEXXWAKQJAYEY-UHFFFAOYSA-N
-rxn:1:61732:31367,CCc1cc(-c2cn(C[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)nn2)cnc1C(=O)OC,CNLMBFVEUABDJC-IBGZPJMESA-N
-rxn:1:61872:9268,C[Si](C)(C)Cn1cc(CN2C(=O)C3(C(C#N)=C(n4cccc4)N(c4ccc(Br)cn4)C4=C3C(=O)CCC4)c3ccccc32)nn1,QPVQMUZIKCVWCQ-UHFFFAOYSA-N
-rxn:1:61890:13216,Cc1cn([C@H]2CC(n3cc(-c4ccc(NC(=O)Cc5ccc(Br)cn5)cc4)nn3)[C@@H](CO)O2)c(=O)nc1N1CCCCC1,ZSXKIFIUOQLANN-BODSDZGOSA-N
-rxn:1:62093:4338,C=C(C)Cn1c(SCc2cn(CCCCS(=O)Cl)nn2)nc2sc3c(c2c1=O)CC(C)(C)OC3,MSLIOKOYEGQNIG-UHFFFAOYSA-N
-rxn:1:62271:32630,NC1CC(F)(c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)C1,FXXYGPGAZNUUMI-UHFFFAOYSA-N
-rxn:1:62297:15972,COc1cc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)ccc1-n1cc(Cl)c(C2CCC2)n1,KQKLNKVMPZELPV-UHFFFAOYSA-N
-rxn:1:62297:16079,COc1cc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)ccc1-n1cc(Cl)c(CC2CC2)n1,JCMVOZRNNYHGOJ-UHFFFAOYSA-N
-rxn:1:62297:16099,COc1cc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)ccc1-n1cc(Br)c(CC2CCC2)n1,RQANHENHPOKAPS-UHFFFAOYSA-N
-rxn:1:62297:16698,Cc1ccc(-n2ncc(-c3cn(C4CC(n5ccc(=O)[nH]c5=O)OC4COP(=O)(O)O)nn3)c2CC2CCC2)c(Cl)c1,NDGJOYIQLDFAQP-UHFFFAOYSA-N
-rxn:1:62297:3218,O=c1ccn(C2CC(n3cc(CCN4CCN(c5ncnc6ccc(Br)cc56)CC4)nn3)C(COP(=O)(O)O)O2)c(=O)[nH]1,XZUIQXFFLJHKKX-UHFFFAOYSA-N
-rxn:1:62297:32894,C=CC(C)C(=O)Nc1ncc(Br)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,ZUHOGGNFWAOERP-UHFFFAOYSA-N
-rxn:1:62297:33025,CCC(C)(NC(=O)c1ccn2c(Br)cnc2c1)c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,ZQAMZEKDGPWNPK-UHFFFAOYSA-N
-rxn:1:62297:36116,Cc1cc(-c2cccc(-c3cn(C4CC(n5ccc(=O)[nH]c5=O)OC4COP(=O)(O)O)nn3)c2F)cnc1OCC(C)C,IYOCXKYUDRZRRY-UHFFFAOYSA-N
-rxn:1:62297:36438,CN1CCN(c2ccc(-c3ccc(F)cc3-c3cn(C4CC(n5ccc(=O)[nH]c5=O)OC4COP(=O)(O)O)nn3)cn2)CC1,HMCMNYSOXOIDKO-UHFFFAOYSA-N
-rxn:1:62297:37644,C[C@H](CO)NCc1ccc(F)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,NVWFNSQLBPSDMH-CPQKOJNRSA-N
-rxn:1:62297:5747,CC(C)CC(Oc1ccc(I)cc1)c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,XTZZSLQJXRVUKS-UHFFFAOYSA-N
-rxn:1:62492:32997,Nc1nc2c(ncn2C2CC(n3cc(C4(NS(=O)(=O)c5cc(Cl)ccc5Cl)CCCCC4)nn3)C(CO)O2)c(=O)[nH]1,MQFANNNOIIKPLV-UHFFFAOYSA-N
-rxn:1:63117:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5cc(F)c(Br)cc5C(=O)OC)C4)nn3)cn2)CC1,PDZNLIMNLHEURL-UHFFFAOYSA-N
-rxn:1:63118:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5cc(F)c(F)cc5C(=O)OC)C4)nn3)cn2)CC1,YZVOFRCHCPCSJW-UHFFFAOYSA-N
-rxn:1:63119:8040,COC(=O)c1ncc(Br)cc1N1CC(Cn2cc(C(=O)N3CCCC(c4cc5cccnc5[nH]4)C3)nn2)CC1=O,HSWPJJAAMGHDMV-UHFFFAOYSA-N
-rxn:1:63126:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5ccc(F)cc5C(=O)OC)C4)nn3)cn2)CC1,OYTYNJYCXSOWQN-UHFFFAOYSA-N
-rxn:1:63148:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5cc(Br)ccc5C(=O)OC)C4)nn3)cn2)CC1,IIHLRNAVIYGPOZ-UHFFFAOYSA-N
-rxn:1:63149:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5cc(Cl)ccc5C(=O)OC)C4)nn3)cn2)CC1,ILPICMCUNVQQCA-UHFFFAOYSA-N
-rxn:1:63151:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5cc(F)ccc5C(=O)OC)C4)nn3)cn2)CC1,VOTCHDYEICTTBH-UHFFFAOYSA-N
-rxn:1:63152:8281,COC(=O)c1ccc(N2CC(Cn3cc(C(=O)N4CCOC(c5cc6cccnc6[nH]5)C4)nn3)CC2=O)cc1Br,XZXHZRYTJSMUQB-UHFFFAOYSA-N
-rxn:1:63175:6127,CCCCn1ncc(-c2cn(CC3CC(=O)N(c4ncc(Br)cc4C(=O)OC)C3)nn2)c1C1COC1,WRLJKSHYMJYOPP-UHFFFAOYSA-N
-rxn:1:63176:8040,COC(=O)c1cc(Br)ncc1N1CC(Cn2cc(C(=O)N3CCCC(c4cc5cccnc5[nH]4)C3)nn2)CC1=O,PLKVEXXCQGQOGI-UHFFFAOYSA-N
-rxn:1:63212:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5cc(OC)c(Cl)cc5OC)C4)nn3)cn2)CC1,SNRUPCZDIOXMIB-UHFFFAOYSA-N
-rxn:1:63216:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5cc(Cl)c(OC)cc5OC)C4)nn3)cn2)CC1,ODURFZHTDQVZND-UHFFFAOYSA-N
-rxn:1:63218:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5cc(F)c(OC)cc5OC)C4)nn3)cn2)CC1,GWVUVOMXCZYFNP-UHFFFAOYSA-N
-rxn:1:63341:20655,COc1cc(N2CC(Cn3cc(C4(NS(=O)(=O)c5ccc(F)cc5)CCCCC4)nn3)CC2=O)c2ncccc2c1,UIKIASNIZBQVJD-UHFFFAOYSA-N
-rxn:1:63341:5236,COc1cc(N2CC(Cn3cc(CN4CCC(c5ccc(OC)c(OC)c5)CC4)nn3)CC2=O)c2ncccc2c1,JNWUDLNRCFQZEF-UHFFFAOYSA-N
-rxn:1:63681:29664,O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)cc1-c1cn(CCCN2CCSCC2)nn1,VFGVMZRUIIJDIM-UHFFFAOYSA-N
-rxn:1:64019:35940,COC(=O)c1ccc(OC)c(-c2cncc(-c3cn(CC4CC(=O)N(CCN5CCNC5=O)C4)nn3)c2)c1,GNPHJRWCKRZDKX-UHFFFAOYSA-N
-rxn:1:64465:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4c(Cl)ccc5ncccc45)C3)nn1)c1cc(OC)c(OC)cc1N2,OIGLTMWMOHMSGX-UHFFFAOYSA-N
-rxn:1:64575:23411,N#Cc1cc(N2CC(Cn3cc(-c4ccc(F)cc4OCC4CC4)nn3)CC2=O)ccc1N1CCCC1,NCYRPKXSYZDDTR-UHFFFAOYSA-N
-rxn:1:64734:25359,COc1nc(Br)ccc1N1CC(c2cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cn4)C3)nn2)CC1=O,FIUMOKAEYORBLH-UHFFFAOYSA-N
-rxn:1:65207:6161,O=C(O)c1cc(OS(=O)(=O)F)cc(-c2cn(CC3CC(=O)N(c4cc(N5CCOCC5)ncn4)C3)nn2)c1,HZZMBKIFQIENTP-UHFFFAOYSA-N
-rxn:1:65385:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CC4CC(=O)N(c5ccnn5C5CCCC5)C4)nn3)c2C2CCCCC2)cc1,YKCULOXTFITTKL-UHFFFAOYSA-N
-rxn:1:65521:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4ncc5c(Br)cccc5n4)C3)nn1)c1cc(OC)c(OC)cc1N2,RAEGRNITRMTHIY-UHFFFAOYSA-N
-rxn:1:65522:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4ncc5c(Cl)cccc5n4)C3)nn1)c1cc(OC)c(OC)cc1N2,USZNXVRZXFEDRJ-UHFFFAOYSA-N
-rxn:1:6953:59779,NC(=O)c1cc(-c2ccncc2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,VOLIPWHXNNKUOT-UHFFFAOYSA-N
-rxn:1:6964:59779,NC(=O)c1cc(-c2cccnc2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,VOYFKENIXQGHRC-UHFFFAOYSA-N
-rxn:1:6964:59780,NC(=O)c1cc(-c2cccnc2)nn1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,OMPLEORKOBBMKU-UHFFFAOYSA-N
-rxn:1:6975:59779,NC(=O)c1cc(-c2ccccn2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,JSEKKPPBYRCJKZ-UHFFFAOYSA-N
-rxn:1:7221:59801,Cc1nc(OCC2CCNCC2)cc(-c2cn(CC3CCCN3S(=O)(=O)Cc3ccccc3F)nn2)n1,IDORMOWZCPJORT-UHFFFAOYSA-N
-rxn:2:100440:113378,CN(C)c1ncc(C(NOCC2CCN(C3CCS(=O)(=O)C3)CC2)c2ccccc2)s1,XLZRRFCZGUACHA-UHFFFAOYSA-N
-rxn:2:101264:136190,CC(C)CC1CCCC(NCCN2CC[Si](C)(C)CC2)C1,XSSZBLPSWNBPGN-UHFFFAOYSA-N
-rxn:2:101692:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1c(OC)cnn1C(C)C1CC1,RNVQCNFVBUYPCH-UHFFFAOYSA-N
-rxn:2:103475:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(C)c1cnc(N2CCN(CC)CC2)c(C)c1,XREKRQSTLSDTBZ-UHFFFAOYSA-N
-rxn:2:103603:135143,CCCCN1CCCC1C(CC)NCC1(F)CCN(C)C1,PAXPOHYGMCCOMB-UHFFFAOYSA-N
-rxn:2:103603:90924,CCC1CCN(CC(NCC2(F)CCN(C)C2)c2ccn(C)c2)CC1,KGCXEHMOBPYFSB-UHFFFAOYSA-N
-rxn:2:104740:160431,COCc1cc(C2CC2CNC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)cs1,GJDGLCWYKIUXPT-UHFFFAOYSA-N
-rxn:2:104740:163277,COCc1cc(C2CC2CNC2CCC(COS(=O)(=O)c3ccc(C)cc3)OC2)cs1,LGKPGTQKXWBKPD-UHFFFAOYSA-N
-rxn:2:105079:146699,CCC(Nc1ccc2c(c1)CN(CCCOC)CC21CC1)c1cccc(-c2ccc(N3CCCC3)nc2)c1,VVBKYEVYNXDOSG-UHFFFAOYSA-N
-rxn:2:105079:146977,COCCCN1Cc2cc(NC(C)c3ccccc3-c3ccnc(N4CCN(C)CC4)c3)ccc2C2(CC2)C1,UADVXDYBRVMQKX-UHFFFAOYSA-N
-rxn:2:105079:148738,COCCCN1Cc2cc(NC(c3ccccc3)c3cnc(N4CCN(C)CC4)cc3C)ccc2C2(CC2)C1,QABMFSBAOAFPON-UHFFFAOYSA-N
-rxn:2:105079:152258,CCC(Nc1ccc2c(c1)CN(CCCOC)CC21CC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,GLOQYFWBHDZLSZ-UHFFFAOYSA-N
-rxn:2:105350:132377,Cc1cc(C(CN2CCC(C)C2)NCc2ccnc(N3CCS(=O)(=O)CC3)n2)c(C)[nH]1,JEACELWDTWQDCH-UHFFFAOYSA-N
-rxn:2:105399:75973,COc1cc(C(C)NCCN2CCS(=O)(=O)C(C)C2)ccc1OCC1CCCN1C,NWXPUYZRMQMLCK-UHFFFAOYSA-N
-rxn:2:105458:120702,CC(C)C1C(F)(F)C12CCC(NCc1ccnc(N3CCC(CN(C)C)CC3)c1)CC2,NUPTZOFEVBOULK-UHFFFAOYSA-N
-rxn:2:106041:150238,CCC1CCCCN1Cc1ccc(NC2CCCC2OS(=O)(=O)c2ccc(C)cc2)s1,WMKZEISULNJRJI-UHFFFAOYSA-N
-rxn:2:106041:160431,CCC1CCCCN1Cc1ccc(NC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)s1,AZNFQNQGBKVJEO-UHFFFAOYSA-N
-rxn:2:106041:164704,CCC1CCCCN1Cc1ccc(NC2CCCCC2OS(=O)(=O)c2ccc(C)cc2)s1,QRFBXAJLKCUPIP-UHFFFAOYSA-N
-rxn:2:106143:126442,CCC(NCC1CCN(CCOC)CC1)c1cnc(N2CCCCCC2)c(C)c1,GNMOCYLMJGQSLX-UHFFFAOYSA-N
-rxn:2:106538:115540,CCCC(CC)n1c(NC(C)c2cc(CO[Si](C)(C)C(C)(C)C)ccn2)cc(=O)[nH]c1=O,ZGRKPTPPESUEBY-UHFFFAOYSA-N
-rxn:2:106853:78925,CCOc1ccccc1C(CN1CCOCC1)Nc1cccnc1N1CCC(COC)CC1,AQAFKZOLAQYMAZ-UHFFFAOYSA-N
-rxn:2:107422:119754,CCC1C(F)(F)C12CCC(Nc1nc(C)[nH]c1N1CCCC1CN(C)C)CC2,IGCHILBBEKVSOF-UHFFFAOYSA-N
-rxn:2:107828:146538,CCN1CCO[C@@H](CNC(c2ccc(OC)cc2)c2c[nH]c(C(=O)N=CN(C)C)c2)[C@@H]1c1ccnn1C,SIEPKCGZGQABGY-ZURQMKNRSA-N
-rxn:2:107828:150884,CCN1CCO[C@@H](CNC(c2ccc(OC)cc2)c2c[nH]c(C(=O)/N=C/N(C)C)c2)[C@@H]1c1ccnn1C,SIEPKCGZGQABGY-YIVFWDETSA-N
-rxn:2:108479:131085,CC(C)COCCC(C)NCc1nccc(N2CCC(N(C)C)CC2)n1,BJAIBLNIERTKGX-UHFFFAOYSA-N
-rxn:2:109351:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(c1cc(OC)ccc1OC)C(C)C,QBHLDYGKRPMVLI-UHFFFAOYSA-N
-rxn:2:110003:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc(N3CCC(N(C)C)CC3)nc1)CC2,MMFXWTUZKFRDEI-UHFFFAOYSA-N
-rxn:2:110746:134221,CCC(NCCN1CCC(COC)C1)c1cnc(N2CCN(C)CC2)cc1C,ADKGNQJQWFWNQZ-UHFFFAOYSA-N
-rxn:2:110884:144280,CO[C@H]1c2ccccc2C[C@H]1NC1c2c(C)cc(C)cc2OCCC1CN1CCCCC1,BPQUPLCZPLQZSC-ATCCSGGJSA-N
-rxn:2:111610:88348,COc1ccc(CCC(NC2(COS(=O)(=O)[O-])CCCC2)C2CCCC2)cc1,GUENJFFBKXPIDC-UHFFFAOYSA-M
-rxn:2:111610:88803,COc1cc2c(c(OC)c1)C(NC1(COS(=O)(=O)[O-])CCCC1)C(C)C2,AGDXDAJRYOBMJB-UHFFFAOYSA-M
-rxn:2:111913:160431,COCc1cc(C#CCCNC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)cs1,MVVDQCBDFKYNDS-UHFFFAOYSA-N
-rxn:2:113527:131085,CC(C)COCCC(C)NCc1ccnc(N2CCC(N(C)C)CC2)n1,UFMPAZDRBITOMC-UHFFFAOYSA-N
-rxn:2:114042:118088,CC(=O)c1sccc1C1C(CSC(C)Nc2cc(=O)[nH]c(N3CCCCC3)n2)C1(F)F,ZWYIPBUPXBRRFK-UHFFFAOYSA-N
-rxn:2:117893:143818,CCC(NC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)c1cnc(N2CCN(C)CC2)cc1C,LMZRUFZCGPRRBM-UHFFFAOYSA-N
-rxn:2:118251:136190,CC1CN(CC2CCCCC2)CCC1NCCN1CC[Si](C)(C)CC1,PFVXWCRTLFOXKR-UHFFFAOYSA-N
-rxn:2:118586:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(C)c1ccc(OCC)c(OC)c1,AVESULYWDRJGHA-UHFFFAOYSA-N
-rxn:2:118776:151465,CN(CC1(CNC(c2ccc(N3CCOCC3)o2)c2cccs2)COC1)C1CCS(=O)(=O)C1,FMNCSKPLLHQUER-UHFFFAOYSA-N
-rxn:2:119754:128840,CCC1C(F)(F)C12CCC(Nc1c(C)c(C)nn1CCCN(C)C)CC2,IWIHRQFBMLDNOY-UHFFFAOYSA-N
-rxn:2:119754:133485,CCC1C(F)(F)C12CCC(Nc1nn(CCN(C)C)cc1C(C)C)CC2,GZKDDRMVXXYSSK-UHFFFAOYSA-N
-rxn:2:119754:135337,CCC1C(F)(F)C12CCC(Nc1c(C(C)C)c(C)nn1CCN(C)C)CC2,QNQJGYVCERQHCR-UHFFFAOYSA-N
-rxn:2:119754:140418,CCC1C(F)(F)C12CCC(Nc1c(C3CC3)c(C)nn1CCN(C)C)CC2,GEKUJOXRIRHVDI-UHFFFAOYSA-N
-rxn:2:119754:158112,CCC1C(F)(F)C12CCC(Nc1ncnc3c1[nH]c(=O)n3CCCN(C)C)CC2,AYNJBKMSKKCCSH-UHFFFAOYSA-N
-rxn:2:120446:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCc1ccc(OC)cc1OC(C)C,NSWSYTICZCETCB-UHFFFAOYSA-N
-rxn:2:120592:152258,CCC(Nc1cccnc1N1CCN(CCOC)CC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,WGPRCPHYBOZHLS-UHFFFAOYSA-N
-rxn:2:120592:164666,COCCN1CCN(c2ncccc2NC(C)c2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)CC1,UNMZCPVUYBSUNO-UHFFFAOYSA-N
-rxn:2:120592:74137,CCC(Nc1cccnc1N1CCN(CCOC)CC1)c1ccc(N2CCOCC2)nc1,JYYJSYLMBFPJQI-UHFFFAOYSA-N
-rxn:2:120702:132243,CC(C)C1C(F)(F)C12CCC(NCc1ccnc(N3CCC(N(C)C)CC3)c1)CC2,BIEWCQHMWRUHEG-UHFFFAOYSA-N
-rxn:2:120702:138956,CC(C)C1C(F)(F)C12CCC(Nc1cc(CN(C)CC3CCN(C)C3)[nH]n1)CC2,CVJMGODFWIRVJP-UHFFFAOYSA-N
-rxn:2:120702:141011,CC(C)C1C(F)(F)C12CCC(NC1(C(c3cccnc3)N(C)C)CC1)CC2,LOPNOAKHTXAILH-UHFFFAOYSA-N
-rxn:2:120702:141552,CC(C)C1C(F)(F)C12CCC(Nc1cncnc1OC1CCC(N(C)C)CC1)CC2,GQJYGLRKCDDVNO-UHFFFAOYSA-N
-rxn:2:120702:143544,CC(C)C1C(F)(F)C12CCC(Nc1ncnc3c1[nH]c(=O)n3CCN(C)C)CC2,OCUUHUKFSWHELZ-UHFFFAOYSA-N
-rxn:2:120702:158112,CC(C)C1C(F)(F)C12CCC(Nc1ncnc3c1[nH]c(=O)n3CCCN(C)C)CC2,CWZVWLNZMBYXQB-UHFFFAOYSA-N
-rxn:2:121723:113213,CCn1c2c(nc(NC(c3ccccc3CN3CCN(C)CC3)C3CC3)c1=O)CCCCC2,DTXUFBYFNUBNSO-UHFFFAOYSA-N
-rxn:2:121900:103107,CCC(Nc1cc(=O)[nH]c(N2CCN(C)CC2)n1)c1cnc(N2CCN(C)CC2)c(C)c1,SOQWTMQDHPSTBZ-UHFFFAOYSA-N
-rxn:2:121900:106196,CC(Nc1cc(=O)[nH]c(N2CCN(C)CC2)n1)c1cnccc1OCCN1CCOCC1,OGMMAXDRDMOXMW-UHFFFAOYSA-N
-rxn:2:121900:128657,COc1cccc(C(CN2CCN(C)CC2)Nc2cc(=O)[nH]c(N3CCN(C)CC3)n2)c1,JZOYYUYHKPUHEC-UHFFFAOYSA-N
-rxn:2:121900:72752,Cc1ccc(C(COCC2CCCO2)Nc2cc(=O)[nH]c(N3CCN(C)CC3)n2)cc1C,ABXBXGVLDVQADM-UHFFFAOYSA-N
-rxn:2:122859:121250,CCN1CCN(c2nc(NC3CCC(CN(C)C)(c4cccnc4)CC3)cc(=O)[nH]2)CC1,IOIJACHGYFONKK-UHFFFAOYSA-N
-rxn:2:122859:127780,CCC(Nc1cc(=O)[nH]c(N2CCN(CC)CC2)n1)c1ccc(N2CCC(F)(F)CC2)cc1,VIGJUNFMANZQQB-UHFFFAOYSA-N
-rxn:2:122859:130197,CCC(Nc1cc(=O)[nH]c(N2CCN(CC)CC2)n1)c1ccc(N2CCN(C)CC2)nc1C,GDKLVJNOWDBVFN-UHFFFAOYSA-N
-rxn:2:122859:82094,CCN1CCN(c2nc(NC(c3cccc(CN4CCN(C)CC4)c3)C3CC3)cc(=O)[nH]2)CC1,CPSFGRQEOBHSIW-UHFFFAOYSA-N
-rxn:2:123002:144936,COc1ccc(C(NC2CC3(C2)C(F)(F)C32CCC2)c2cnc(/N=C/N(C)C)s2)cc1,RAAJXBNYVOFUAH-MZJWZYIUSA-N
-rxn:2:123002:151346,COc1ccc(C(NC2CC3(C2)C(F)(F)C32CCC2)c2cnc(N=CN(C)C)s2)cc1,RAAJXBNYVOFUAH-UHFFFAOYSA-N
-rxn:2:123196:120702,CC(C)C1C(F)(F)C12CCC(Nc1n[nH]cc1N1CCC(CN(C)C)CC1)CC2,AIZUHTZRJQWWTB-UHFFFAOYSA-N
-rxn:2:123796:120702,CC(C)C1C(F)(F)C12CCC(Nc1cncnc1OC1CCCC1N(C)C)CC2,BGFFMTIQNAFLEJ-UHFFFAOYSA-N
-rxn:2:124533:158112,COCC1C(F)(F)C12CCC(Nc1ncnc3c1[nH]c(=O)n3CCCN(C)C)CC2,RMHXKLJXDUFGMV-UHFFFAOYSA-N
-rxn:2:124533:168779,COCC1C(F)(F)C12CCC(Nc1c(CN(C)Cc3nccn3C)c(C)nn1C)CC2,VWCCKWYOEDKXMG-UHFFFAOYSA-N
-rxn:2:124544:138126,CCCN(C)CCC(C)NCC(F)(F)CN1CCCSCC1,ZXCFTVQDIVWFHI-UHFFFAOYSA-N
-rxn:2:124973:145494,CCC(NC(C)c1c[nH]c2c(OC)cc(OC)cc2c1=O)C(C)N1CC(C)OC(C)(C)C1,FIYICOTZHPQTMJ-UHFFFAOYSA-N
-rxn:2:124973:147743,CCC(NC(C)c1cc(-c2ccc(OC)cc2)n[nH]c1=O)C(C)N1CC(C)OC(C)(C)C1,LNFRQVDSWXMORX-UHFFFAOYSA-N
-rxn:2:124973:148530,CCC(NC(C)c1c[nH]c2ccc(OC)cc2c1=O)C(C)N1CC(C)OC(C)(C)C1,JBWUPAZOYZHMQT-UHFFFAOYSA-N
-rxn:2:124973:160537,CCC(NC(C)c1c[nH]c2cc(OC)ccc2c1=O)C(C)N1CC(C)OC(C)(C)C1,WKMZGEIMVIVDKI-UHFFFAOYSA-N
-rxn:2:125337:152258,CCC(NCCCN1CCN(C)Cc2cc(OC)ccc21)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,HITVAINQTFZKGH-UHFFFAOYSA-N
-rxn:2:126274:130197,CCC(N[C@@H](Cn1nc(C2CC2)ccc1=O)C(C)C)c1ccc(N2CCN(C)CC2)nc1C,YGQMRWKFLCGLJH-GITCGBDTSA-N
-rxn:2:126600:157491,Cc1ccc(C(C)Nc2c(C34CC5CC(CC(C5)C3)C4)cn[nH]c2=O)c(OS(=O)(=O)F)c1,QHTLIGXPYPMPDE-UHFFFAOYSA-N
-rxn:2:126600:159568,Cc1ccc(C(C)Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2)c(OS(=O)(=O)F)c1,NKXTUMCBZQELOT-UHFFFAOYSA-N
-rxn:2:126623:104090,CC(C)N1CCC(n2cccc(NC3CCC(C(c4ccccc4)N(C)C)CC3)c2=O)CC1,KCLZKQATUZNUCG-UHFFFAOYSA-N
-rxn:2:126736:120592,CCC(Nc1cccnc1N1CCN(CCOC)CC1)[C@H]1C[C@@H](C)O[C@@H](C)C1,FOMGHJQPEPOGPK-PMQUEXKOSA-N
-rxn:2:126812:74137,CCC(Nc1ccc(OCC2CN(C)CCN2C)cn1)c1ccc(N2CCOCC2)nc1,AMGFXDAAXNIBEZ-UHFFFAOYSA-N
-rxn:2:129802:120702,CC(C)C1C(F)(F)C12CCC(Nc1cncnc1OC1CCCCC1N(C)C)CC2,GOYOEDCQUWLKTF-UHFFFAOYSA-N
-rxn:2:131754:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1ccc(OC)c(CN2CCC(F)(F)C2)c1,PAKHBZJDUCYRLZ-UHFFFAOYSA-N
-rxn:2:132011:167512,CC(Nc1ccc(N2CCCN(C)CC2)cn1)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,WKSOYSTXBFBDSR-UHFFFAOYSA-N
-rxn:2:132243:135127,Cc1nc(N2CCN(C)CC2)ncc1C(C)NCc1ccnc(N2CCC(N(C)C)CC2)c1,DWTRHHLRSVZVQE-UHFFFAOYSA-N
-rxn:2:132243:168553,Cc1nc2nc(N3CCCCC3)[nH]c(=O)c2cc1C(C)NCc1ccnc(N2CCC(N(C)C)CC2)c1,GQYCZAPTVRFNCB-UHFFFAOYSA-N
-rxn:2:132597:141711,CCC(Nc1ccc(N2CCOCC2)cc1OC)c1cnc(N2CCN(CC)CC2)c(C)c1,PAJYYYRUVWOQCG-UHFFFAOYSA-N
-rxn:2:132795:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(c1cc(OC)ccc1OC)C1CC1,PJJAKUWTHDIWNT-UHFFFAOYSA-N
-rxn:2:133062:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cc(OC)ccc1OC(C)C,YYVPGVDBHBDLLM-UHFFFAOYSA-N
-rxn:2:133271:149971,CC(NC1CCOC12CCN(C)CC2)c1cc(-c2ccnc(N3CCN(C)CC3)c2)ccn1,NCSXXAXECQUTLY-UHFFFAOYSA-N
-rxn:2:134212:164290,CCOCC1CCN(c2ccc(NC(CN3CCN(C)CC3)c3c(C)[nH]c4ccccc34)cn2)C1,MQXPZMVOLIHMBW-UHFFFAOYSA-N
-rxn:2:134376:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC1(c2cc(OC)ccc2OC)CC1C,RSMLISKFWZAZPQ-UHFFFAOYSA-N
-rxn:2:134664:167512,CCCC1CC(NC(C)c2cn(N3CCN(C)CC3)c(=O)[nH]c2=O)CN(c2ccccc2)C1,DLDGIOKPMPUEKN-UHFFFAOYSA-N
-rxn:2:134772:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC1CN(C)CC1c1ccc(OC)c(OC)c1,KOOQOWIEJFRCDH-UHFFFAOYSA-N
-rxn:2:134968:163531,Cc1c(NC2CCC(n3cc(-c4ccccc4OC4CC4)cn3)CC2)cnn1C1CCS(=O)(=O)CC1,SUNSJDBUUQTNHC-UHFFFAOYSA-N
-rxn:2:136038:161696,CCOC1CCN(c2nc(C)ccc2CNC(C)CCc2cc3c(C)ccc(OC)c3[nH]c2=O)CC1,OZAYVPNBEXMIEV-UHFFFAOYSA-N
-rxn:2:136190:139454,CC(C)C1CCCCCC1NCCN1CC[Si](C)(C)CC1,HOBNLIDVGQEXAO-UHFFFAOYSA-N
-rxn:2:137524:141147,CC1CC(NC[C@H]2CC[C@H](CN3CCC3)CC2)CC(C)(C)C1,VQCYQMUKHXFMIE-LFYFRBEQSA-N
-rxn:2:138074:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)N[C@@H](CCC)c1ccc(OC)c(C)c1,HXLHLOSTJUJCHU-BWDMCYIDSA-N
-rxn:2:138546:107393,CC1Cc2nc(N3CCN(C)CC3)ncc2C(Nc2ccc(N3CCC(N(C)C)CC3)cn2)C1,DQBIIURCPBBSCJ-UHFFFAOYSA-N
-rxn:2:138546:111419,CC(C)C(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1coc(N2CCOCC2)n1,NMAVFFYMFXACKO-UHFFFAOYSA-N
-rxn:2:138546:70228,CCc1nc(N2CCN(CC)CC2)sc1C(C)Nc1ccc(N2CCC(N(C)C)CC2)cn1,UCTWNITZSDVFDI-UHFFFAOYSA-N
-rxn:2:138546:91208,Cc1nc(N2CCN(C)CC2)nc(C)c1C(C)Nc1ccc(N2CCC(N(C)C)CC2)cn1,VYNUVUQVFMYOQD-UHFFFAOYSA-N
-rxn:2:139179:161479,COCCN1CCN(c2ccc(NC(C)CCC3(c4ccc5[nH]c(=O)[nH]c5c4)COC3)nn2)CC1,HTHXQTSBDZAFEK-UHFFFAOYSA-N
-rxn:2:140873:110753,CCC(NC1CCN(c2ccccc2COC)CC1)C1CCN(c2ccc3c(c2)OCO3)C1,ZCBOFDAPDSSTFJ-UHFFFAOYSA-N
-rxn:2:141165:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(c1ncc(-c2ccc(CC)cc2)[nH]1)C(C)C,FRBIZJDHLFGDFO-UHFFFAOYSA-N
-rxn:2:141249:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCc1cc(CC)nn1CC1CC1(F)F,HHWXYRJMTOTNME-UHFFFAOYSA-N
-rxn:2:145498:134221,CCC(Nc1ccc2c(c1)c(OCC1CCCC1)nn2C)c1cnc(N2CCN(C)CC2)cc1C,SNNQBVQSNDGMBO-UHFFFAOYSA-N
-rxn:2:145896:131146,CCN1CCN(c2ncnc3[nH]nc(NC(C)c4ccc(OCC5CCCN(C)C5)c(OC)c4)c23)CC1,UHBNZOSDQPTUER-UHFFFAOYSA-N
-rxn:2:149799:167512,CC(NCc1cnc2ccc(C3CCCN(C)C3)nn12)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,NJXBWBMTBPCXIU-UHFFFAOYSA-N
-rxn:2:153966:80610,CC(CCCCN1CCCN(C)CC1)NC1CCN(c2nc3ccsc3c(=O)[nH]2)C1,GDMFWYNFVPEYSU-UHFFFAOYSA-N
-rxn:2:155254:157696,CC(C)c1nc(-c2ccccn2)cc(N2CCC(NCc3cc(=O)[nH]n3C3CCS(=O)(=O)CC3)CC2)n1,WLCSJYQREPLDSA-UHFFFAOYSA-N
-rxn:2:158112:166169,CC(Nc1ncnc2c1[nH]c(=O)n2CCCN(C)C)SCC1C(c2ccc3c(c2)C(=O)CC3)C1(F)F,NIMDFMRFSWXVQJ-UHFFFAOYSA-N
-rxn:2:158809:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC(C)c1ncc(-c2cc(C)ccc2OC)[nH]1,RUCSFLIGEFACHU-UHFFFAOYSA-N
-rxn:2:161893:112995,Cc1nc(N2CCCC2)ncc1C(CCN(C)C)Nn1ccc2nc(N3CCOCC3)ncc2c1=O,GVJSPNHKCODXGF-UHFFFAOYSA-N
-rxn:2:166859:147291,CCCc1cc(NC(CCN2CCN(C)CC2)c2ccc3c(c2)OCCO3)n(-c2cnccc2OC)n1,HPDIFGIJMMVPGS-UHFFFAOYSA-N
-rxn:2:66615:76229,CC(C)CN1CCCCC1CNCC1CCC[Si](C)(C)CC1,SRXSJWUDCCQVGQ-UHFFFAOYSA-N
-rxn:2:66639:154474,COCc1cc(=O)n(C)c(N2CCC(NC3CCc4c(-c5ccnc(N6CCOCC6)c5)cccc43)C2)n1,SZEINAGSEXEFAA-UHFFFAOYSA-N
-rxn:2:67496:119754,CCC1C(F)(F)C12CCC(Nc1c(C)nn(CCN(C)C)c1C)CC2,NQFIRABBKULRGE-UHFFFAOYSA-N
-rxn:2:67505:136190,CC(C)C1CCCC(NCCN2CC[Si](C)(C)CC2)CC1,JQRGXWKAWRRXNQ-UHFFFAOYSA-N
-rxn:2:68985:143495,CC(NCC1(N2CCN(C)CC2)CCN(C)CC1)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cn1,BIEMMGTXRMPXAS-UHFFFAOYSA-N
-rxn:2:69057:103561,Cc1nc(N2CCN(C)CC2)ccc1C(C)NC(C)c1c(C(C)C)cc(C(C)C)[nH]c1=O,KXHWYJSFTFFXOX-UHFFFAOYSA-N
-rxn:2:69465:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cncnc1OC1CCN(CC)CC1,UKHGQLGKYRUTMI-UHFFFAOYSA-N
-rxn:2:70666:109890,CC1CCC(NC2CCC[Si](C)(C)CC2)C(N(C)C(C)C2CC2)C1,MTFPQWYUHMOCIW-UHFFFAOYSA-N
-rxn:2:71125:88035,CCn1ncc(C#CCO[Si](C)(C)C)c1C(C)NCCC1(n2ccnn2)CCS(=O)(=O)CC1,SBQZGJCEXDXDJS-UHFFFAOYSA-N
-rxn:2:71431:76442,CCN1CCC(N(C)CCC(C)NCC(F)(F)CN2CCSCCC2C)CC1,GDOXQQACBLXNCL-UHFFFAOYSA-N
-rxn:2:71622:136190,CC(C)C1CCCCC1NCCN1CC[Si](C)(C)CC1,GNAFZKPQDQWTAD-UHFFFAOYSA-N
-rxn:2:73061:136190,CC(C)C1CCCC(NCCN2CC[Si](C)(C)CC2)C1,RLOIIYVCINJDKD-UHFFFAOYSA-N
-rxn:2:73080:106091,COc1ccc(NC(c2ccccc2CN2CCCCC2)C2CCC2)cc1OS(=O)(=O)F,ZNUZCSBJWLWYAK-UHFFFAOYSA-N
-rxn:2:73080:131393,COc1ccc(NC(c2ccccc2CN2CCCC2)C2CCCC2)cc1OS(=O)(=O)F,ZRRRUCLBPKPWAJ-UHFFFAOYSA-N
-rxn:2:73080:140417,COc1ccc(NC(c2ccccc2CN2CCSCC2)C2CCC2)cc1OS(=O)(=O)F,QKPGXPZVGDAOEI-UHFFFAOYSA-N
-rxn:2:73080:84705,COc1ccc(NC(c2ccccc2CN2CCC2)C2CCCCC2)cc1OS(=O)(=O)F,FIOMMAJSINSHOM-UHFFFAOYSA-N
-rxn:2:73093:98788,CCc1nn(CC2CC2(F)F)cc1CNC(CC)CN(C)C1CCN(C)CC1,BNJJTORXNUZYDZ-UHFFFAOYSA-N
-rxn:2:74461:104349,CCN1CCC(Oc2ccc(C(C)NCc3ccc(CN4CCS(=O)(=O)CC4)o3)cc2OC)CC1,ZHCABYRJQSGQNK-UHFFFAOYSA-N
-rxn:2:74461:111563,COc1ccc(C(C)NCc2ccc(CN3CCS(=O)(=O)CC3)o2)cc1OCC1CCOCC1,INZABZSPIWBXJM-UHFFFAOYSA-N
-rxn:2:74461:138669,COc1ccc(C(C)NCc2ccc(CN3CCS(=O)(=O)CC3)o2)cc1OC1CCN(C)CC1,VBJFYCFMQKFVOX-UHFFFAOYSA-N
-rxn:2:75264:134417,CCC(Nc1cc(N2CCN(CCOC)CC2)ncn1)c1ccc(N2CCOCC2)nc1C,NMWUIRJZJAGYNS-UHFFFAOYSA-N
-rxn:2:75264:161835,COCCN1CCN(c2cc(NC(C)c3c(N4CCOCC4)[nH]c4c(C)cc(OC)cc34)ncn2)CC1,ANBOZQBOJDNHPS-UHFFFAOYSA-N
-rxn:2:75264:91796,CCC(Nc1cc(N2CCN(CCOC)CC2)ncn1)c1ccc(N2CCOCC2)cc1,MTBALUQMTMYAKJ-UHFFFAOYSA-N
-rxn:2:75576:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC#Cc1ccc(OC)c(CN2CCCC2)c1,FURMITVURRSYGM-UHFFFAOYSA-N
-rxn:2:75604:117066,COCCOC1CCCCCC1NC(C)c1ccc(OS(=O)(=O)[O-])cc1,XUVOGGFKZRJBCS-UHFFFAOYSA-M
-rxn:2:75605:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1csc(N(C)CCOC)n1,YNZMXNPWRQXJJH-UHFFFAOYSA-N
-rxn:2:76027:144280,CO[C@@H]1c2ccccc2C[C@@H]1NC1c2c(C)cc(C)cc2OCCC1CN1CCCCC1,BPQUPLCZPLQZSC-JEILHCHBSA-N
-rxn:2:76229:138760,CC(C)CN1CCCC(NCC2CCC[Si](C)(C)CC2)CC1,ZFAZDBPTNGYLPD-UHFFFAOYSA-N
-rxn:2:76532:143097,COC1CCOC2(CCN(CCCNC(C)c3cccc(-c4ccnc(N5CCN(C)CC5)c4)n3)CC2)C1,ANEJHYUEJVZEOG-UHFFFAOYSA-N
-rxn:2:76532:149642,CCn1ncc2cc(-c3ncccc3C(C)NCCCN3CCC4(CC3)CC(OC)CCO4)ccc21,CJDNKFZBNUVLBT-UHFFFAOYSA-N
-rxn:2:76532:151111,COC1CCOC2(CCN(CCCNC(Cc3ccc4ncccc4n3)c3cccc(C)n3)CC2)C1,MOZCDKYKPWDBDT-UHFFFAOYSA-N
-rxn:2:76569:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc(N3CC(N(C)C)C3)nc1)CC2,SSOOPADFRVNQOD-UHFFFAOYSA-N
-rxn:2:76663:129701,CC(C)c1cccnc1C(C)NCC(C)(C)CS(=O)(=O)C1CCCN(C)C1,XJDGPVWFLXCQMP-UHFFFAOYSA-N
-rxn:2:76663:157260,CCOc1ncccc1-c1cnc(C(C)NCC(C)(C)CS(=O)(=O)C2CCCN(C)C2)cn1,QNJOJJFAPBWBIC-UHFFFAOYSA-N
-rxn:2:77349:114262,COCS(=O)(=O)c1ccc(C(C)NOC[C@@H]2[C@@H]3CCC#CCC[C@@H]32)cc1,BHZADGAXNLLXPO-RUHXQKBWSA-N
-rxn:2:77407:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(c1ccc(OC)cc1C)C(C)C,UXUJJGNCEUTWIW-UHFFFAOYSA-N
-rxn:2:77499:119754,CCC1C(F)(F)C12CCC(Nc1c(OC)cnn1CCN(C)C)CC2,CVLYSLRCTDEXPC-UHFFFAOYSA-N
-rxn:2:78546:126600,Cc1ccc(C(C)NCc2nn(C34CC5CC(CC(C5)C3)C4)c(=O)[nH]2)c(OS(=O)(=O)F)c1,WDEKNKKFSTYIAG-UHFFFAOYSA-N
-rxn:2:78859:144472,CCCC(NCCC1CN(C)CC(C)N1CC(C)C)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,RAADSYODBONMSX-UHFFFAOYSA-N
-rxn:2:78859:162970,CCCC(NCCC1CN(C)CC(C)N1CC(C)C)c1ccc(-c2cnc3[nH]c(=O)oc3c2)cc1,AOAZRINURDLRLO-UHFFFAOYSA-N
-rxn:2:81592:167512,COC1CN(CCNC(C)c2cn(N3CCN(C)CC3)c(=O)[nH]c2=O)CC1n1ccnc1,SBVHXJSDCSAUSV-UHFFFAOYSA-N
-rxn:2:81759:124533,COCC1C(F)(F)C12CCC(Nc1cc(CCCN(C)C)cnc1C)CC2,SVCDYVUGPAXCKD-UHFFFAOYSA-N
-rxn:2:82054:130197,CCC(N[C@H]1CCN(c2cc(=O)n(CC)c(=O)[nH]2)C1)c1ccc(N2CCN(C)CC2)nc1C,AUHLODCKSIKULC-LROBGIAVSA-N
-rxn:2:82338:166005,COc1ccccc1CN1CCC(CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)CC1,PGMXBLFYUYZXRD-UHFFFAOYSA-N
-rxn:2:82474:119754,CCC1C(F)(F)C12CCC(Nc1c(C)nn(CC)c1CN(C)C)CC2,BIELBFKBPYCLSO-UHFFFAOYSA-N
-rxn:2:82724:134391,CC(C)(C)c1ccc(=O)n(CCCNC2CCCc3c2cnn3COCC[Si](C)(C)C)n1,WKRDYESNODSFAL-UHFFFAOYSA-N
-rxn:2:83125:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1ccccc1OCCN1CCOC(C)C1,BTMOBOWRGNPIER-UHFFFAOYSA-N
-rxn:2:83653:138956,CC1C(F)(F)C12CCC(Nc1cc(CN(C)CC3CCN(C)C3)[nH]n1)CC2,JSQMVBFVMRZRIA-UHFFFAOYSA-N
-rxn:2:86069:136190,CC(C)[C@@H]1CCCCC1NCCN1CC[Si](C)(C)CC1,GNAFZKPQDQWTAD-BHWOMJMDSA-N
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-rxn:2:86382:102152,CC1CCC(C(C)(C)CNC2CCCCC2N(C)C)CC1C,HAXYQXWSIDOPPR-UHFFFAOYSA-N
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-rxn:2:99336:109890,CC1CCCCC1N(C)C(C)CCNC1CCC[Si](C)(C)CC1,NWKYEZPZOPBLLK-UHFFFAOYSA-N
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-rxn:3:18813:59852:132818,CC(C1CCCC1)n1nccc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCCc4ccc(S(=O)(=O)F)s4)C3)C2)nn1,LMECLULTDOQVLF-RDQXJMKESA-N
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-rxn:3:23826:59852:139373,COc1ccc(S(=O)(=O)F)cc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(C4(n5ccnc5)CCC4)nn3)C2)CCO1,UVOANVKXKOLXTD-GNPFLCDCSA-N
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-rxn:3:23873:62633:83860,CN1CCC[C@H]1c1cncc(-c2cn(CC3CC(=O)N(C4CCCC(C(=O)Nc5cccc(OS(=O)(=O)F)c5)C4)C3)nn2)c1,AOIHKXSQRUIPTK-DTTOXSFOSA-N
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-rxn:3:34484:59852:92547,CC(C)n1nccc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)Nc4ccc(OS(=O)(=O)F)cc4)C3)C2)nn1,MNVWIZKIHLWDQQ-YUBCUAJFSA-N
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-rxn:3:36914:59852:105510,CCn1nccc1-c1cc(F)cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5CCCS(=O)(=O)C5)C4)C3)nn2)c1,IRNMCROKWNLFFK-GNXUWSFGSA-N
-rxn:3:36914:59852:118803,CCn1nccc1-c1cc(F)cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCCC5CS(=O)(=O)C5)C4)C3)nn2)c1,JQMVJXJEYFOLNA-YUHUCQNGSA-N
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-rxn:3:36914:59852:76822,CCn1nccc1-c1cc(F)cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCCS(C)(=O)=O)C4)C3)nn2)c1,DBHVCKZDNWCGEF-COZDELPKSA-N
-rxn:3:36914:59852:79002,CCn1nccc1-c1cc(F)cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NOCCS(C)(=O)=O)C4)C3)nn2)c1,FETYWCOMDNLDJI-COZDELPKSA-N
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-rxn:3:37650:59852:106561,Cc1cc(S(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(CCSc4ncc5nccnc5n4)nn3)C2)CCO1,LQFQAWOBTZZPRV-DUAOYYFSSA-N
-rxn:3:37650:59852:123503,CC(CNC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(CCSc4ncc5nccnc5n4)nn3)C2)CCO1)S(=O)(=O)F,GSOJBSVCZQBMIN-XBPCWFMRSA-N
-rxn:3:37650:59852:130089,O=C(NCCS(=O)(=O)[O-])C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(CCSc4ncc5nccnc5n4)nn3)C2)CCO1,HTULIZVAVJJISX-PGBVBIMESA-M
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-rxn:1:49308:11496,Cc1cc(C)cc(N(Cc2cn([C@@H]3CCCC[C@H]3N3CCCCCC3)nn2)S(=O)(=O)c2cccs2)c1,IYKJIACELZWGGG-CLJLJLNGSA-N
-rxn:1:49308:17307,CCn1ccc(C(=O)N=c2sc3cc(F)ccc3n2Cc2cn([C@@H]3CCCC[C@H]3N3CCCCCC3)nn2)n1,WTZYUXQFRKYMQB-DNQXCXABSA-N
-rxn:1:49316:11293,Cc1ccccc1N(Cc1cn([C@@H]2CCCC[C@H]2N2CCCN(C)CC2)nn1)S(=O)(=O)c1cccs1,IJCPAQIKBCZKLU-JWQCQUIFSA-N
-rxn:1:49316:11485,Cc1cc(Cl)ccc1N(Cc1cn([C@@H]2CCCC[C@H]2N2CCCN(C)CC2)nn1)S(=O)(=O)c1cccs1,WBPJMLIXCJCXIC-JWQCQUIFSA-N
-rxn:1:49333:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn([C@@H]4CCC[C@H]4N4CCN(C)CC4)nn3)c2C2CCC2)cc1,AETAJLIQRHJJBB-CLJLJLNGSA-N
-rxn:1:49333:32894,C=CC(C)C(=O)Nc1ncc(Br)cc1-c1cn([C@@H]2CCC[C@H]2N2CCN(C)CC2)nn1,GPFLVQOADVRZND-YUZWYKEKSA-N
-rxn:1:49348:14729,CC(C)(C)OC(=O)N1C[C@@H](n2cccn2)[C@@H](n2cc(-c3cc(F)cc(C(=O)N4CCCC4)c3)nn2)C1,NWCSOERTQOMULO-YADHBBJMSA-N
-rxn:1:49356:32894,C=CC(C)C(=O)Nc1ncc(Br)cc1-c1cn([C@@H]2COC[C@H]2N2CCCN(C)CC2)nn1,TVFZFQZDBHYFKD-YUZWYKEKSA-N
-rxn:1:49480:28975,Cc1sc2nc(SCc3cn(C4CCN(S(=O)(=O)N5CCOCC5)CC4)nn3)nc(-n3[se]c4cccnc4c3=O)c2c1C,VFALYUTVNRVEEQ-UHFFFAOYSA-N
-rxn:1:49480:28994,Cc1sc2nc(SCc3cn(C4CCN(S(=O)(=O)N5CCOCC5)CC4)nn3)nc(-n3[se]c4nccnc4c3=O)c2c1C,OUWUOZLIIWYUBD-UHFFFAOYSA-N
-rxn:1:49710:33908,CO[C@H]1CC[C@@H](NC(=O)c2ccc(-c3cn(CC4C(c5c[nH]nc5C#N)C4(F)F)nn3)cc2Cl)CC1,BTGRRVQPSXHMDD-KGHFHEDUSA-N
-rxn:1:50323:17733,CCC(CC)n1nc(-c2cn(CC3C(c4cc([N+](=O)[O-])ccn4)C3(F)F)nn2)cc1C1CCCCC1,ZVNANBFHOWIFQW-UHFFFAOYSA-N
-rxn:1:50324:17733,CCC(CC)n1nc(-c2cn(CC3C(c4ccc([N+](=O)[O-])cn4)C3(F)F)nn2)cc1C1CCCCC1,ROUDQTISBBQHKT-UHFFFAOYSA-N
-rxn:1:50324:20853,CC(C1CCCC1)n1nc(C2CCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])cn3)C2(F)F)nn1,XUQMSXFKGASJLV-UHFFFAOYSA-N
-rxn:1:50324:21975,CC(C1CCC1)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])cn3)C2(F)F)nn1,ZBQOPGUWUQFOKB-UHFFFAOYSA-N
-rxn:1:50435:35113,CN1CCC(CC(=O)Nc2ccc(-c3cn(CC4C(c5cccc(C(=O)O)n5)C4(F)F)nn3)nc2)CC1,WYEXUOPUWCFILE-UHFFFAOYSA-N
-rxn:1:50601:30327,Cc1nccc(CN2CCCC3(CCN(C(=O)c4cn(CC5C(c6c(C)[nH]c7ccccc67)C5(F)F)nn4)CC3)CN(C)C(=O)c3ccnn3CC2)n1,IYVVDVMZYNVBDK-UHFFFAOYSA-N
-rxn:1:51096:34243,CCC1(C(=O)Nc2ncc(Br)nc2-c2cn(CC3C(c4cnc(OC)c([N+](=O)[O-])c4)C3(F)F)nn2)COC1,PKDJONZWORRQKH-UHFFFAOYSA-N
-rxn:1:51156:8264,Cc1cc(N(C)C)cc(C2CCN(C(=O)c3cn([C@H]4CCC[C@H]4OC(=O)Cl)nn3)C2)n1,ATFXQFXEUJMSOD-GGUZCGDUSA-N
-rxn:1:51227:9466,CN(C)c1ccc2[nH]cc(C(=O)NCc3cn(CC4C(c5cnn([C@@H]6CCCCO6)c5)C4(F)F)nn3)c(=O)c2c1,UTMJGLYBXIBLSF-RZMWZJFBSA-N
-rxn:1:51273:29658,O=[N+]([O-])c1ccc(N2CCOCC2)cc1-c1cn(CC2C(c3cnc(N4CCCC4)nc3)C2(F)F)nn1,KPGJBVGQCURSCZ-UHFFFAOYSA-N
-rxn:1:51343:21152,CC(C1CCC1)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])c4cn[nH]c4c3)C2(F)F)nn1,WOLIYGRMBRFNFW-UHFFFAOYSA-N
-rxn:1:51343:21975,CC(C1CCC1)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])c4cn[nH]c4c3)C2(F)F)nn1,JPJSIKFMSBKSLZ-UHFFFAOYSA-N
-rxn:1:51343:6197,CCOC(=O)C1CCCN(c2cc(-c3cn(CC4C(c5cc([N+](=O)[O-])c6cn[nH]c6c5)C4(F)F)nn3)ncn2)C1,RXQAYSDTYFUEFA-UHFFFAOYSA-N
-rxn:1:51456:29706,CCN1CCN(C(=O)c2ccc(-c3cn(CC4C(c5cc(C(=O)OC)c6cn[nH]c6c5)C4(F)F)nn3)cc2)CC1,PEHKQSXWSWQVGT-UHFFFAOYSA-N
-rxn:1:51456:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4C(c5cc(C(=O)OC)c6cn[nH]c6c5)C4(F)F)nn3)nc2)CC1,CQMQAXCAGAVGPQ-UHFFFAOYSA-N
-rxn:1:51456:35303,CCC1(C(=O)Nc2ccc(C)c(-c3cn(CC4C(c5cc(C(=O)OC)c6cn[nH]c6c5)C4(F)F)nn3)c2)COC1,ZTVXUGZQGQCRDU-UHFFFAOYSA-N
-rxn:1:51471:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4C(c5c[nH]c6cc(C(=O)OC)ccc56)C4(F)F)nn3)nc2)CC1,ZBSUAWWFOFDNSG-UHFFFAOYSA-N
-rxn:1:51950:35622,COc1ccc(F)c(F)c1C(=O)Nc1ccc(-c2cn(C3CC(n4cc(C)c(N5CCCCC5)nc4=O)OC3CO)nn2)nc1,ITCDQRAQRCXMNE-UHFFFAOYSA-N
-rxn:1:52156:17727,NNc1cccc(C2CC2CCn2cc(-c3cc(C4CCCCC4)n(C4CCCS(=O)(=O)C4)n3)nn2)n1,ZVXZQUQDUGUTRE-UHFFFAOYSA-N
-rxn:1:52536:33908,CO[C@H]1CC[C@@H](NC(=O)c2ccc(-c3cn(CCC4CC4c4cnc(N(C)C)nc4)nn3)cc2Cl)CC1,IWNBBYVUPZUFHC-PKNONZTCSA-N
-rxn:1:52614:23663,CN(Cc1cn(CCC2CC2c2n[nH]c3nc[nH]c(=O)c23)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,XGIXAWFMEBDPBQ-AXUCXSHDSA-N
-rxn:1:54651:6257,Cc1c(C2C(CCn3cc(-c4cc(N(C)C5CCN(C)CC5)ncn4)nn3)C2(F)F)cnc(O)c1[N+](=O)[O-],ANEBSQBNYZRPGR-UHFFFAOYSA-N
-rxn:1:54836:6197,CCOC(=O)C1CCCN(c2cc(-c3cn(CCC4C(c5cc([N+](=O)[O-])c6cn[nH]c6c5)C4(F)F)nn3)ncn2)C1,CBONQTCBONINPH-UHFFFAOYSA-N
-rxn:1:54836:6198,CCOC(=O)C1CCN(c2cc(-c3cn(CCC4C(c5cc([N+](=O)[O-])c6cn[nH]c6c5)C4(F)F)nn3)ncn2)CC1,LTUPVQVZAYONPM-UHFFFAOYSA-N
-rxn:1:55099:29055,CC1(C)OB(C(F)=CC2(Cc3cn(-c4nonc4-c4nonc4-c4nonc4[N+](=O)[O-])nn3)CCC2)OC1(C)C,AEDVSMNAFABHJB-UHFFFAOYSA-N
-rxn:1:55099:29101,CC1(C)OB(C(F)=C2CCCC2Cc2cn(-c3nonc3-c3nonc3-c3nonc3[N+](=O)[O-])nn2)OC1(C)C,DQMJDYDDVWUULU-UHFFFAOYSA-N
-rxn:1:55099:29102,CC1(C)OB(C(F)=C2CCCCC2Cc2cn(-c3nonc3-c3nonc3-c3nonc3[N+](=O)[O-])nn2)OC1(C)C,HGOZAPIKEWGBSW-UHFFFAOYSA-N
-rxn:1:55314:15673,Nc1ncc(C2CC2Cn2cc(-c3cn(C4CCCS(=O)(=O)C4)nc3C3CCCCC3)nn2)nc1N,KITHLOKMSFIDAU-UHFFFAOYSA-N
-rxn:1:56248:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cn(C)c(C(=O)OC)n3)nn2)CC1,QWANNGJWTDNFNA-UHFFFAOYSA-N
-rxn:1:56336:33908,COC(=O)c1ccnc(C2CC2Cn2cc(-c3ccc(C(=O)N[C@H]4CC[C@@H](OC)CC4)c(Cl)c3)nn2)c1,GPPMFOOCCSDWFP-UKPMAZGWSA-N
-rxn:1:56387:17642,NNC(=O)c1cncc(C2CC2Cn2cc(-c3cc(C4CCCC4)n(C4CCCS(=O)(=O)C4)n3)nn2)c1,IZKFELIUTXULMF-UHFFFAOYSA-N
-rxn:1:56387:17727,NNC(=O)c1cncc(C2CC2Cn2cc(-c3cc(C4CCCCC4)n(C4CCCS(=O)(=O)C4)n3)nn2)c1,XTLMIYCWCIYQFP-UHFFFAOYSA-N
-rxn:1:56688:33908,CO[C@H]1CC[C@@H](NC(=O)c2ccc(-c3cn(CC4CC4c4cccc(N5CCCC5)c4)nn3)cc2Cl)CC1,ZSZHVVPMNOFBDN-ASKMPSHHSA-N
-rxn:1:56760:34946,Cc1ccc(NC(=O)CC2CCCCC2)cc1-c1cn(CC2CC2c2ccc(C3CCNCC3)cc2)nn1,YDYXBMYLHFRJPF-UHFFFAOYSA-N
-rxn:1:56886:11170,CC1CCCCC1N(Cc1cn(CC2CC2c2ccc(N3CCN(C)CC3)cc2)nn1)S(=O)(=O)c1cccs1,GPNQLXJGFWFLBY-UHFFFAOYSA-N
-rxn:1:56900:33216,CN1CCC(CC(=O)Nc2ncc(Br)cc2-c2cn(CCCN(C)C3CCN(C)CC3)nn2)CC1,GSYTXCZHPVAABH-UHFFFAOYSA-N
-rxn:1:57310:10010,Cc1cc(C)c(C)c(OCCCn2cc(Cn3ccc(C(=O)NC4CCCCCCC4)cc3=O)nn2)c1,NQFYCFNVTOBABC-UHFFFAOYSA-N
-rxn:1:57408:18101,O=[N+]([O-])c1cnc(CCCn2cc(-c3c4c(nn3C3CCCSC3)CCN(CC(F)(F)F)C4)nn2)s1,AWCFJGXJQAUYLT-UHFFFAOYSA-N
-rxn:1:57453:30678,Cc1cnc(F)c(CCCn2cc(C(=O)N3CCOC4(CCCN(C(=O)c5cccnc5)CCCn5nccc5C(=O)N(C)C4)C3)nn2)c1,KHWIJPHVJQXLCO-UHFFFAOYSA-N
-rxn:1:57564:29098,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2cn(CCCc3nc[nH]c3[N+](=O)[O-])nn2)c1,VHCALLZNIBQKGQ-UHFFFAOYSA-N
-rxn:1:57759:30357,CCn1nccc1CN1CCCC2(CCN(C(=O)c3cn(CCCc4cnc(C#N)c(F)c4)nn3)CC2)CN(C)C(=O)c2ccnn2CC1,LRGUJTUXQKKKSJ-UHFFFAOYSA-N
-rxn:1:57895:12756,NS(=O)(=O)c1ccc(CCCn2cc(-c3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)nn2)s1,QOWKAMDJNZPDRF-UHFFFAOYSA-N
-rxn:1:57895:13650,NS(=O)(=O)c1ccc(CCCn2cc(-c3ccc(C(=O)N4CCN(C5CCCCC5)CC4)cc3)nn2)s1,LVVGHOWZIRCXBN-UHFFFAOYSA-N
-rxn:1:58181:4338,C=C(C)Cn1c(SCc2cn(CCCc3cnc(Cl)c([N+](=O)[O-])c3)nn2)nc2sc3c(c2c1=O)CC(C)(C)OC3,LSEZUMYUKYZDMB-UHFFFAOYSA-N
-rxn:1:58473:30108,CCn1cc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CCCc5ccc6nccc(Cl)c6c5)nn4)CC3)CN(C)C(=O)c3ccnn3CC2)cn1,ZNSAPMIAZHZLFL-UHFFFAOYSA-N
-rxn:1:58984:30816,Cc1cccc(C(=O)N2CCCC3(CCN(C(=O)c4cn(CCCCc5ncc(Cl)cc5N)nn4)CC3)CN(C)C(=O)c3ccnn3CC3(CC3)C2)n1,IPFAOOBKAJVQCX-UHFFFAOYSA-N
-rxn:1:58984:30821,Cc1cccc(C(=O)N2CCCCn3nccc3C(=O)N(C)CC3(CCCN(C(=O)c4cn(CCCCc5ncc(Cl)cc5N)nn4)C3)CCC2)n1,GSSKHGHPTBVPIL-UHFFFAOYSA-N
-rxn:1:59091:30288,CN1CC2(CCCN(Cc3nc4ccccc4n3C)CC3(CC3)Cn3nccc3C1=O)CCN(C(=O)c1cn(CCCCc3ccc(Cl)nc3Cl)nn1)CC2,FRMJGCUVXLZDAZ-UHFFFAOYSA-N
-rxn:1:59359:10750,Cc1n[nH]c2cc(CCCCn3cc(COc4ccc(CN5CCC6(CC5)CNC(=O)C6)cc4Cl)nn3)ccc12,RIZHIGJKNPKONK-UHFFFAOYSA-N
-rxn:1:59477:17792,CCCC(=O)c1cc(-c2cn(CC(=O)N3CCN(c4ccccc4OC)CC3)nn2)c2c(c1)C1(CC1)C(=O)N2,IRPVINITVSYISQ-UHFFFAOYSA-N
-rxn:1:59477:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC(=O)N4CCN(c5ccccc5OC)CC4)nn3)c2)CC1,XWZVFYNOEGWULP-UHFFFAOYSA-N
-rxn:1:59630:4348,Cc1cc(C(=O)N2CCC(n3cc(-c4cccc(NC(=O)CN5CCNCC5)c4)nn3)CC2)c(C)o1,BCXVAWKAVJNEHJ-UHFFFAOYSA-N
-rxn:1:59671:17794,CCC(=O)c1cc(-c2cn([C@@H]3[C@@H](O)[C@H](n4cc(OC)c(=O)[nH]c4=O)O[C@@H]3CO)nn2)c2c(c1)C1(CC1)C(=O)N2,PIKUGVHBCUGXAH-UGGKCQTMSA-N
-rxn:1:59744:8098,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(C(=O)N4CCC(c5nc(C6CC6)ncc5-c5ccncc5)CC4)nn3)C2)s1,YJYTXDOCOWMPGX-UHFFFAOYSA-N
-rxn:1:59758:34175,CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cn(CC3CCCN3C(=O)Nc3c(F)cccc3F)nn2)nc1,JCMZPXSVACRCLG-IMMUGOHXSA-N
-rxn:1:59779:28975,Cc1sc2nc(SCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)nc(-n3[se]c4cccnc4c3=O)c2c1C,XVZJQUNQKSZONT-UHFFFAOYSA-N
-rxn:1:59780:9025,Nn1c(Cc2cccs2)nnc1SCc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,FTOGTYDNKVFNJQ-UHFFFAOYSA-N
-rxn:1:60108:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(P(N)Cl)nn1,VUTVBGMBLOJCLP-UHFFFAOYSA-M
-rxn:1:60147:23663,CN(Cc1cn(CCc2[nH]nc3c2CSCC3)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,JXGMUQVWYWVUPG-PUAOIOHZSA-N
-rxn:1:60265:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(CCn2nc(-c3cnccn3)cc2N)nn1,CSQRSEASNKBCRU-UHFFFAOYSA-M
-rxn:1:60287:29371,Cc1cccc(C(=O)N2CCC(C)CC2)c1-c1cn(CC2CCCN2S(=O)(=O)c2cn(C)cn2)nn1,JMOVKBYWMISAQY-UHFFFAOYSA-N
-rxn:1:60287:8342,Cc1cc(CC2CCN(C(=O)c3cn(CC4CCCN4S(=O)(=O)c4cn(C)cn4)nn3)CC2)ccn1,GFTNIJBFOIKLTM-UHFFFAOYSA-N
-rxn:1:60296:15538,Cc1ccc(S(=O)(=O)N2CCCC2Cn2cc(-c3cn(C4CCCSC4)nc3CC(C)C)nn2)s1,VCTJCLOIFVBYSQ-UHFFFAOYSA-N
-rxn:1:60299:26504,CCSc1ccccc1C(=O)N1CCC(n2cc(C3CC(=O)N(c4cc(N)c(C#N)c(Br)n4)C3)nn2)CC1,ULVQRHJIXBDCEL-UHFFFAOYSA-N
-rxn:1:60304:28994,Cc1sc2nc(SCc3cn(C4CCCN(S(=O)(=O)N5CCOCC5)C4)nn3)nc(-n3[se]c4nccnc4c3=O)c2c1C,XHACXZDYRPCKMK-UHFFFAOYSA-N
-rxn:1:60304:29031,Cc1sc2nc(SCc3cn(C4CCCN(S(=O)(=O)N5CCOCC5)C4)nn3)nc(-n3[se]c4ncccc4c3=O)c2c1C,XBKDMLMSDKMZQF-UHFFFAOYSA-N
-rxn:1:60314:5000,CCOc1ncccc1C(=O)N1CCC(n2cc(CN3CC4(CCN(CC)CC4)Nc4cc(F)ccc43)nn2)CC1,JQMHQKAXKKEIAL-UHFFFAOYSA-N
-rxn:1:60658:28994,Cc1sc2nc(SCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)nc(-n3[se]c4nccnc4c3=O)c2c1C,MCECQEOLJNIGFP-UHFFFAOYSA-N
-rxn:1:60658:29031,Cc1sc2nc(SCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)nc(-n3[se]c4ncccc4c3=O)c2c1C,CVVVQBMVXDEWTI-UHFFFAOYSA-N
-rxn:1:60826:8113,COc1ccc(OC)c(-c2cnc(Cn3cc(C(=O)N4CCCC(c5ccc(C(=O)N6CCN(C)CC6)cn5)C4)nn3)o2)c1,HOEPOIKAGBYXNJ-UHFFFAOYSA-N
-rxn:1:60903:11505,COC1CCOC2(CCN(CCn3cc(CN(c4cc(C)ccn4)S(=O)(=O)c4cccs4)nn3)C2)C1,XAPYCAQBGIHATG-UHFFFAOYSA-N
-rxn:1:60903:11508,COC1CCOC2(CCN(CCn3cc(CN(c4ccc(Cl)cn4)S(=O)(=O)c4cccs4)nn3)C2)C1,IKKMERCFPBOYFC-UHFFFAOYSA-N
-rxn:1:60903:12890,CCC(=O)N=c1sc2cc(F)ccc2n1Cc1cn(CCN2CCC3(CC(OC)CCO3)C2)nn1,MQUSAZVMAMKUGW-UHFFFAOYSA-N
-rxn:1:60903:17241,CCn1nccc1C(=O)N=c1sc2cc(Cl)ccc2n1Cc1cn(CCN2CCC3(CC(OC)CCO3)C2)nn1,WNORRHLAPRTELQ-UHFFFAOYSA-N
-rxn:1:60944:35337,COCC1(C)CCN(C(=O)Cn2cc(-c3cncc(NC(=O)CN(C)C)c3)nn2)CC1,RTKFOCXYSJLSLH-UHFFFAOYSA-N
-rxn:1:61019:5006,CCN1c2ccc(N)cc2N(Cc2cn(CC(=O)N3CCN(CCF)CC3)nn2)CC12CCCC2,MTTFLVDHBDGVIW-UHFFFAOYSA-N
-rxn:1:61023:33644,CN(Cc1cn(CCN2CCC(N3CCSCC3)CC2)nn1)S(=O)(=O)c1cccs1,BAEKQJILSSDPRN-UHFFFAOYSA-N
-rxn:1:61031:33644,CN(Cc1cn(CCN2CCN(C3CCSCC3)CC2)nn1)S(=O)(=O)c1cccs1,JTECIBVTHODENM-UHFFFAOYSA-N
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-rxn:3:56474:17621:99542,CCn1nc(-c2cn(CC3CC3c3cc(F)c(C(=O)N[C@H](c4cccc(C)c4C)C4CCCC4)c(F)c3)nn2)cc1C1CCC1,OJBDCGGPGSWMGH-GTIIJGOXSA-N
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-rxn:3:56474:18494:84158,Cc1ccc([C@H](NC(=O)c2c(F)cc(C3CC3Cn3cc(-c4nn(C5CCCC5)cc4C)nn3)cc2F)C2CCCCC2)s1,HPEBYUADKXCCHK-MMARFKFQSA-N
-rxn:3:56474:2125:84158,Cc1ccc([C@H](NC(=O)c2c(F)cc(C3CC3Cn3cc(C(C)C4CCCC4)nn3)cc2F)C2CCCCC2)s1,JJGWVKQESKQFFC-NBJBPIQRSA-N
-rxn:3:56520:17914:148867,CSc1ncc(C2CC2Cn2cc(-c3cnn(-c4cc(F)cc(F)n4)c3)nn2)c(C(=O)Nc2cc3c(cc2CS(C)(=O)=O)OCCO3)n1,SPBIFYJXKIGEHS-UHFFFAOYSA-N
-rxn:3:58230:7852:124899,CC(C)[C@H]1C[C@H](CNC(=O)c2ccnc(CCCn3cc(C4(N(C)C)CCN(C)CC4)nn3)c2F)c2ccccc21,DJDXVUQFQNUPET-YIXXDRMTSA-N
-rxn:3:5864:50432:136349,CO[C@@H]1[C@@H](NC(=O)c2ncccc2C2C(Cn3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)C2(F)F)COC12CCC2,OULLORNATKTZNE-FMWBUPSYSA-N
-rxn:3:5864:50437:136349,CO[C@@H]1[C@@H](NC(=O)c2cccnc2C2C(Cn3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)C2(F)F)COC12CCC2,LGHHIGXLJJEGED-FMWBUPSYSA-N
-rxn:3:5864:56473:127163,CO[C@H]1CC[C@H](NC(=O)c2c(F)ccc(C3CC3Cn3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)c2F)CC1,VYIOHHBVMRRYDO-TZJVRLDRSA-N
-rxn:3:5864:59852:100874,COC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5ccc6nccc(N(C)C)c6c5)nn4)C3)CCO2)CS(=O)(=O)C1,SXTPZZNZDLATSL-XBRHSWDSSA-N
-rxn:3:59852:16875:89172,CCn1ncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)Nc5ccc(S(=O)(=O)CC6CCOC6)cc5)C4)C3)nn2)c1C1CCCC1,HZDNTMHZVNCERP-IAYCXESWSA-N
-rxn:3:59852:23799:106561,Cc1cc(S(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(C4(n5cccn5)CCCC4)nn3)C2)CCO1,MKCGKTSPEAYALR-QQMHWKEJSA-N
-rxn:3:59852:23826:106561,Cc1cc(S(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(C4(n5ccnc5)CCC4)nn3)C2)CCO1,ZDNYUVZKDDCTLX-YHNKWQPZSA-N
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-rxn:3:59852:3694:121343,Cc1sc(S(=O)(=O)F)cc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(C5CC5)c4)nn3)C2)CCO1,LRBPPKHLDDORMK-MGMFDXOMSA-N
-rxn:3:59852:6366:106561,Cc1cc(S(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccnc(C5CC5)n4)nn3)C2)CCO1,WGUKFTJRFYDLKE-PRIXLJELSA-N
-rxn:3:59852:6403:123503,CC(CNC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnc(N5CCN(C)CC5)nc4)nn3)C2)CCO1)S(=O)(=O)F,SSDVVXLZMIUYBX-WHRZTLTBSA-N
-rxn:3:59852:6404:123503,CC(CNC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnc(N5CCCN(C)CC5)nc4)nn3)C2)CCO1)S(=O)(=O)F,HCYHCLOUGKTTQJ-VIXZBYKASA-N
-rxn:3:59852:7075:123503,CC(CNC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccnc4N4CCN(C)CC4)nn3)C2)CCO1)S(=O)(=O)F,VRAHPEUUNZBHDF-YQORSWRPSA-N
-rxn:3:59852:8:100539,Cc1ccc(S(=O)(=O)F)cc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccc(N5CCCC5)nn4)nn3)C2)CCO1,OLCSURUKMVTEFW-UNNWOSPESA-N
-rxn:3:60078:32622:75523,COc1ccc(C(NC(=O)c2cc3n(CCn4cc([C@H]5CCC(F)(F)C5)nn4)ccn3n2)C2(C)CC2)cc1C,YVFNWLDLEDPCBI-JINQPTGOSA-N
-rxn:3:60580:1251:77250,C=CC[C@@H](C(=O)NCC1CCC2(CCC(F)(F)CC2)O1)n1cc(-c2ccc(N(C)C)nc2)nn1,PRMPDPANQHQRPM-IJHRGXPZSA-N
-rxn:3:60580:27942:69818,C=CC[C@@H](C(=O)NCC1(C)CCCCC1(F)F)n1cc(-c2cnccc2N(C)C)nn1,IQRLPGMALZGVBQ-ZQRQZVKFSA-N
-rxn:3:60580:8620:66029,C=CC[C@@H](C(=O)NOCc1csc2ccccc12)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,ZNFCFYYYCZHJPJ-IBGZPJMESA-N
-rxn:3:60582:6396:90515,C=CC[C@H](C(=O)N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)n1cc(-c2cnc(N3CCCC3)nc2)nn1,QTLLNGAVXUIFMP-IMFGXOCKSA-N
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-rxn:3:6144:60078:101562,Cn1ncc(-c2cn(CCn3ccn4nc(C(=O)NCC5(C)CS(=O)(=O)CCO5)cc34)nn2)c1C1CCC1,BDNJNTWQVUSCES-UHFFFAOYSA-N
-rxn:3:61600:787:92502,Cc1cc(NC(=O)c2cc(F)ccc2OCCn2cc(C3CCN(C)CC3)nn2)ccc1OCC1CCCCO1,USAUCOBYKVJBQB-UHFFFAOYSA-N
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-rxn:3:6404:59852:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnc(N5CCCN(C)CC5)nc4)nn3)C2)CCO1,ZDZDHIJLXPTKFC-WXRWGJROSA-N
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-rxn:3:23816:64276:151783,O=C1CC(Cn2cc(C3(n4ccnn4)CCC3)nn2)CN1[C@H]1CC[C@@H](C(=O)Nc2ccc(OS(=O)(=O)F)c3ccccc23)CC1,SZJJRIDRLHUZMN-FRIKZZABSA-N
-rxn:3:37650:59852:151955,O=C(Nc1ccc2ccc(OS(=O)(=O)F)cc2c1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(CCSc4ncc5nccnc5n4)nn3)C2)CCO1,NMYVZCFUEJNJBT-YUHUCQNGSA-N
-rxn:3:40007:1911:85714,C=CCN(C)Cc1cn(CC=Cc2cscc2C(=O)NCC2CCC(F)(F)CO2)nn1,DHQOMQYKIPEYAP-UHFFFAOYSA-N
-rxn:3:40295:1911:86559,C=CCN(C)Cc1cn(CC=Cc2csc(CC(=O)NC3C(F)(F)C34CC4)c2)nn1,GIENJAMHCVWXKP-UHFFFAOYSA-N
-rxn:3:40558:16782:140611,Cc1c(-c2cn(CC=Cc3cc(C(=O)NC4CCCC(F)(F)C4)ccn3)nn2)cnn1CCN(C)C,ZXRJPXYIJIZWFI-UHFFFAOYSA-N
-rxn:3:40558:16806:107063,CCc1c(-c2cn(CC=Cc3cc(C(=O)NC4CCCC4(F)F)ccn3)nn2)cnn1CCN(C)C,GURLZJRTXWLTDR-UHFFFAOYSA-N
-rxn:3:40558:16806:140611,CCc1c(-c2cn(CC=Cc3cc(C(=O)NC4CCCC(F)(F)C4)ccn3)nn2)cnn1CCN(C)C,QSWSCCGRPNIHLA-UHFFFAOYSA-N
-rxn:3:40558:17644:107063,CN(C)CCn1nc(-c2cn(CC=Cc3cc(C(=O)NC4CCCC4(F)F)ccn3)nn2)cc1C1CCCC1,ALJLCUCFDBIQEX-UHFFFAOYSA-N
-rxn:3:40558:17644:95501,CN(C)CCn1nc(-c2cn(CC=Cc3cc(C(=O)NC4CCC4(F)F)ccn3)nn2)cc1C1CCCC1,HGSQKCLJBGMZJM-UHFFFAOYSA-N
-rxn:3:40558:1911:77856,C=CCN(C)Cc1cn(CC=Cc2cc(C(=O)N[C@H]3CCCC(F)(F)C3)ccn2)nn1,KCRYILJSBJSAKC-IBGZPJMESA-N
-rxn:3:40558:27942:120695,CN(C)c1ccncc1-c1cn(CC=Cc2cc(C(=O)NC3CCOC4(CCC(F)(F)CC4)C3)ccn2)nn1,ZEHZOVKMKGWSHO-UHFFFAOYSA-N
-rxn:3:40558:6215:101562,CC1(CNC(=O)c2ccnc(C=CCn3cc(-c4cc(N5CCCC5)ncn4)nn3)c2)CS(=O)(=O)CCO1,GDQBFPJTUGEIML-UHFFFAOYSA-N
-rxn:3:40558:6397:90515,O=C(N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)c1ccnc(C=CCn2cc(-c3cnc(N4CCCCC4)nc3)nn2)c1,PGCLCPLWZCIOEM-UHGJSFDGSA-N
-rxn:3:40558:8:101562,CC1(CNC(=O)c2ccnc(C=CCn3cc(-c4ccc(N5CCCC5)nn4)nn3)c2)CS(=O)(=O)CCO1,OZGMYHUPERDKBM-UHFFFAOYSA-N
-rxn:3:40558:8620:69182,COc1cscc1CNC(=O)c1ccnc(C=CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1,MJSGHZWJSAOMAV-UHFFFAOYSA-N
-rxn:3:40558:9:90515,O=C(N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)c1ccnc(C=CCn2cc(-c3ccc(N4CCCCC4)nn3)nn2)c1,LKXAPIMRMXUPMP-GRGXKFILSA-N
-rxn:3:40559:15470:128859,CN(C)CCn1cc(-c2cn(CC=Cc3cccc(C(=O)NC4CC(F)(F)C4)n3)nn2)c(C2CCC2)n1,OXQLFERGJXKSAI-UHFFFAOYSA-N
-rxn:3:40559:1911:94773,C=CCN(C)Cc1cn(CC=Cc2cccc(C(=O)N[C@H]3C[C@@]4(CCC4(F)F)C3)n2)nn1,WEJCHLYMWCRGHC-LBZQVFOQSA-N
-rxn:3:40559:39618:104632,CN1CCC(N(C)Cc2cn(CC=Cc3cccc(C(=O)N[C@@H]4CC(F)(F)c5ccccc54)n3)nn2)CC1,MQZAOZTYRUXADM-AREMUKBSSA-N
-rxn:3:40740:6495:74993,Cc1ccc(OCC2CCCCC2)c(NC(=O)c2cc(C=CCn3cc(-c4cnn(C5CCCC5)c4)nn3)ccc2F)c1,RVRJVSGGHXGAMX-UHFFFAOYSA-N
-rxn:3:40740:6495:95926,Cc1cc(NC(=O)c2cc(C=CCn3cc(-c4cnn(C5CCCC5)c4)nn3)ccc2F)ccc1OCC1CCCCC1,LNCPSDBFUDMRJI-UHFFFAOYSA-N
-rxn:3:40747:6472:98153,COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccc(F)c(C=CCn2cc(-c3cnn(CC4CCCCC4)c3)nn2)c1,UXRQDMRQNPFBPT-LJAQVGFWSA-N
-rxn:3:40754:16782:139343,Cc1c(-c2cn(CC=Cc3ccc(C(=O)NC[C@H]4CC[C@@H](F)CC4)c(F)c3)nn2)cnn1CCN(C)C,XLXWJYDJXNBPDR-SZPZYZBQSA-N
-rxn:3:40754:27942:84024,CN(C)c1ccncc1-c1cn(CC=Cc2ccc(C(=O)N[C@H]3C[C@@H](OCC4CCC4)C3)c(F)c2)nn1,XEMQVRIKPXZGCB-SZPZYZBQSA-N
-rxn:3:40754:7075:77949,CN1CCN(c2ncccc2-c2cn(CC=Cc3ccc(C(=O)NC4CCC(S(=O)(=O)c5ccccc5)CC4)c(F)c3)nn2)CC1,DSWVYWNUPVXKRJ-UHFFFAOYSA-N
-rxn:3:40755:16782:139343,Cc1c(-c2cn(CC=Cc3cc(F)cc(C(=O)NC[C@H]4CC[C@@H](F)CC4)c3)nn2)cnn1CCN(C)C,YUDLSWIEOVVNKU-UHGJSFDGSA-N
-rxn:3:40757:12158:111883,O=C(NC1CCCC(c2ccccc2)C1)c1c(F)cccc1C=CCn1cc(C2CC(N3CCCCC3)C2)nn1,YRLCALJVBNKKKR-UHFFFAOYSA-N
-rxn:3:40757:12158:134851,O=C(NC1CCCCC(c2ccccc2)C1)c1c(F)cccc1C=CCn1cc(C2CC(N3CCCCC3)C2)nn1,UUAXCVKPRLAZJM-UHFFFAOYSA-N
-rxn:3:40757:16840:90970,O=C(Nc1ccccc1C1CCCCC1)c1c(F)cccc1C=CCn1cc(-c2cnn(C3CCC3)c2C2CC2)nn1,ZWFOISLALNZKOM-UHFFFAOYSA-N
-rxn:3:40757:38941:66839,O=C(Nc1cc(C2CC2)ccc1C1CC1)c1c(F)cccc1C=CCn1cc(CC2CCCCC2)nn1,QWLZNRJJSDNMHT-UHFFFAOYSA-N
-rxn:3:40917:6396:79669,COc1cc(OC)c2c(c1)OCCC2NC(=O)c1cc(C=CCn2cc(-c3cnc(N4CCCC4)nc3)nn2)cnc1F,MTIUJXTXARVXLF-UHFFFAOYSA-N
-rxn:3:40919:16782:139343,Cc1c(-c2cn(CC=Cc3cc(C(=O)NC[C@H]4CC[C@@H](F)CC4)c(F)cn3)nn2)cnn1CCN(C)C,FZEOSSXMRLYQDK-BGYRXZFFSA-N
-rxn:3:40919:16806:140611,CCc1c(-c2cn(CC=Cc3cc(C(=O)NC4CCCC(F)(F)C4)c(F)cn3)nn2)cnn1CCN(C)C,YPYAAXSSRMFDNV-UHFFFAOYSA-N
-rxn:3:40919:16806:81290,CCc1c(-c2cn(CC=Cc3cc(C(=O)NC4CCCCC4(F)F)c(F)cn3)nn2)cnn1CCN(C)C,YAYLTAVMVAUJRI-UHFFFAOYSA-N
-rxn:3:40919:38579:109100,CN(C)c1ccc(-c2cn(CC=Cc3cc(C(=O)NCC4C(F)(F)C45CCCC5)c(F)cn3)nn2)cc1,AKZFPSSCKHULIC-UHFFFAOYSA-N
-rxn:3:40919:38604:165929,COc1ccc2cc(C3(NC(=O)c4cc(C=CCn5cc(C6(c7ccccn7)CCCC6)nn5)ncc4F)CCCCC3)oc2c1,WPHNNQHLOPPNEQ-UHFFFAOYSA-N
-rxn:3:40919:6404:90515,CN1CCCN(c2ncc(-c3cn(CC=Cc4cc(C(=O)N[C@H]5CC[C@@H](CS(=O)(=O)F)CC5)c(F)cn4)nn3)cn2)CC1,BCIMEPLKJQDZON-GRGXKFILSA-N
-rxn:3:40920:5474:84024,CN(C)c1ncc(-c2cn(CC=Cc3nccc(C(=O)N[C@H]4C[C@@H](OCC5CCC5)C4)c3F)nn2)cn1,PHCKMDWOTIQFRM-BGYRXZFFSA-N
-rxn:3:41093:18718:148432,COc1ccc(C=CCn2cc(-c3cc(C4CCCCC4)ccn3)nn2)cc1C(=O)NC1(c2cc3cccc(OC)c3s2)CCCC1,PCDFDBQQOGSDOA-UHFFFAOYSA-N
-rxn:3:41111:18718:107323,COc1cccc(C=CCn2cc(-c3cc(C4CCCCC4)ccn3)nn2)c1C(=O)NC1CCCc2cccc(OC)c21,SOFITWVQZZXPPE-UHFFFAOYSA-N
-rxn:3:42686:15470:95501,CN(C)CCn1cc(-c2cn(CC#Cc3ncccc3C(=O)NC3CCC3(F)F)nn2)c(C2CCC2)n1,LJNCRTGAKPKPDI-UHFFFAOYSA-N
-rxn:3:42686:17644:107063,CN(C)CCn1nc(-c2cn(CC#Cc3ncccc3C(=O)NC3CCCC3(F)F)nn2)cc1C1CCCC1,SFLSJJNWCXRRBO-UHFFFAOYSA-N
-rxn:3:42686:17644:95501,CN(C)CCn1nc(-c2cn(CC#Cc3ncccc3C(=O)NC3CCC3(F)F)nn2)cc1C1CCCC1,WWDJBHBYLATZOH-UHFFFAOYSA-N
-rxn:3:42686:23143:70574,CCN1CC(c2cn(CC#Cc3ncccc3C(=O)NCC3(c4cccc(OC)c4)CCCC3)nn2)C1,OPJDDOWRNFFUMQ-UHFFFAOYSA-N
-rxn:3:42889:6474:113753,COc1cc(OCC2CCCCC2)ccc1NC(=O)c1cc(F)ccc1C#CCn1cc(-c2cnn(C3CCC3)c2)nn1,DDPUIYWZMQRESN-UHFFFAOYSA-N
-rxn:3:43163:6495:140297,COc1cc(OCC2CCCC2)ccc1NC(=O)Cc1ccc(F)c(C#CCn2cc(-c3cnn(C4CCCC4)c3)nn2)c1,PBRUHXLQAUSJET-UHFFFAOYSA-N
-rxn:3:43417:5864:68267,COCCC1(NC(=O)C2CC=CC(n3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)C2)CCC(F)(F)CC1,XDUIMKXMYPQLSA-UHFFFAOYSA-N
-rxn:3:43509:15470:94773,CN(C)CCn1cc(-c2cn(Cc3ccc(C(=O)N[C@H]4C[C@@]5(CCC5(F)F)C4)o3)nn2)c(C2CCC2)n1,WEPVWLRYQFLCHF-YGFACIEFSA-N
-rxn:3:43509:16782:109100,Cc1c(-c2cn(Cc3ccc(C(=O)NCC4C(F)(F)C45CCCC5)o3)nn2)cnn1CCN(C)C,CSABWWSOOSVPPG-UHFFFAOYSA-N
-rxn:3:43509:1911:109100,C=CCN(C)Cc1cn(Cc2ccc(C(=O)NCC3C(F)(F)C34CCCC4)o2)nn1,BGACOMQPZYGVAR-UHFFFAOYSA-N
-rxn:3:4364:40856:66635,CC(C)CCN(C)Cc1cn(C2(C(=O)NCC3(F)CCSC3)CC2)nn1,CCVNSSOLNINPCV-UHFFFAOYSA-N
-rxn:3:4428:60078:141028,CCS(=O)(=O)c1ccc(CNC(=O)c2cc3n(CCn4cc(CN5CCCCCCC5)nn4)ccn3n2)s1,FPFUOQWRQYHIPB-UHFFFAOYSA-N
-rxn:3:44520:38579:109100,CN(C)c1ccc(-c2cn(CCC#Cc3ccnc(C(=O)NCC4C(F)(F)C45CCCC5)c3)nn2)cc1,IADQQJYMRWZXHN-UHFFFAOYSA-N
-rxn:3:46232:12158:112819,O=C(Nc1cccc(C2CC2)c1)c1cccc(F)c1C=CCCn1cc(C2CC(N3CCCCC3)C2)nn1,GXQADSYYKBEFQC-UHFFFAOYSA-N
-rxn:3:46247:7852:141852,COc1cccc2c1OCC(NC(=O)c1cc(F)ccc1C=CCCn1cc(C3(N(C)C)CCN(C)CC3)nn1)C2,QWCPQKBPAGFPGD-UHFFFAOYSA-N
-rxn:3:46343:18717:81176,COc1cccc2c1CC(C)(C)CC2NC(=O)c1ccnc(C=CCCn2cc(-c3cc(C4CCCC4)ccn3)nn2)c1F,RCNMUXYQLOMDKC-UHFFFAOYSA-N
-rxn:3:46343:31939:77949,CN(C)c1ccnc(-c2cn(CCC=Cc3nccc(C(=O)NC4CCC(S(=O)(=O)c5ccccc5)CC4)c3F)nn2)c1,MPJLLFKLMCDRGY-UHFFFAOYSA-N
-rxn:3:49499:7075:129999,CN1CCN(c2ncccc2-c2cn(C[C@H]3C[C@H](C(=O)Nc4ccccc4OS(=O)(=O)F)C3)nn2)CC1,MLVINVNPTHJKAN-IYARVYRRSA-N
-rxn:3:50432:6257:108458,CN1CCC(N(C)c2cc(-c3cn(CC4C(c5cccnc5C(=O)NCC5CC56Cc5ccccc5C6)C4(F)F)nn3)ncn2)CC1,PQGPQAVYZDDVMI-UHFFFAOYSA-N
-rxn:3:51049:6402:106303,COc1cc2oc(=O)sc2cc1NC(=O)c1ccc(C2C(Cn3cc(-c4cnc(N5CCCCCC5)nc4)nn3)C2(F)F)c(OC)c1,UUVIDXFLXYIHAM-UHFFFAOYSA-N
-rxn:3:51307:23143:156291,CCN1CC(c2cn(CC3C(c4ccc5[nH]nc(C(=O)NCC6(c7cc8cccc(OC)c8o7)CCCC6)c5c4)C3(F)F)nn2)C1,ZFXJULRZMJUFAU-UHFFFAOYSA-N
-rxn:3:52489:5991:135480,CCn1nc(-c2cn(CCC3CC3c3ccc(C(=O)NCC4(C(C)(F)F)CCOCC4)cn3)nn2)c2ccccc21,RECRBCFZSXSYAF-UHFFFAOYSA-N
-rxn:3:52849:6402:121464,COc1ccc2c(c1)CC(CNC(=O)c1ccnc(C3CC3CCn3cc(-c4cnc(N5CCCCCC5)nc4)nn3)c1F)O2,BYJXUUXVGCMGMZ-UHFFFAOYSA-N
-rxn:3:53841:27942:66039,CN(C)c1ccncc1-c1cn(CCC2C(c3scnc3C(=O)NCC3CC4(CCCC4)C3)C2(F)F)nn1,KXGGYFRZIXDLSV-UHFFFAOYSA-N
-rxn:3:54198:6404:107463,COc1ccc(OC)c2c1OCC[C@H]2NC(=O)c1ccc(C2C(CCn3cc(-c4cnc(N5CCCN(C)CC5)nc4)nn3)C2(F)F)nc1,QJOGLDNTQAKWFV-OLYGOTPTSA-N
-rxn:3:5474:41072:104152,CN(C)c1ncc(-c2cn(CC=Cc3c(F)cc(C(=O)N[C@H]4C[C@H](C5CCCC5)C4)cc3F)nn2)cn1,AGRIBIVHWKNCGU-XGAFWQRZSA-N
-rxn:3:5474:46430:104152,CN(C)c1ncc(-c2cn(CCC=Cc3c(F)cc(C(=O)N[C@H]4C[C@H](C5CCCC5)C4)cc3F)nn2)cn1,ICHAZDUJQOLQBD-XYWHTSSQSA-N
-rxn:3:5474:47746:106686,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CC(C6CCCCC6)C5)cn(C5CC5)c4c3F)nn2)cn1,QHGDGRDPTGYZRN-UHFFFAOYSA-N
-rxn:3:5474:47746:74583,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CC(C6CCCC6)C5)cn(C5CC5)c4c3F)nn2)cn1,MGBWYGHEHYCZOB-UHFFFAOYSA-N
-rxn:3:5474:51307:103798,CN(C)c1ncc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)NC6CC7(CCCCCC7)C6)c5c4)C3(F)F)nn2)cn1,ORNNXLHJNWBVII-UHFFFAOYSA-N
-rxn:3:55763:17876:102237,O=C(Nc1ccccc1S(=O)(=O)C1CCCC1)c1ncc(C2CC2Cn2cc(-c3nccn3C3CCCC3)nn2)cn1,PGUNXZAZFSXKSG-UHFFFAOYSA-N
-rxn:3:55763:17876:108218,O=C(Nc1ccccc1S(=O)(=O)OC1CCCC1)c1ncc(C2CC2Cn2cc(-c3nccn3C3CCCC3)nn2)cn1,KDQLMCRNEVXBRR-UHFFFAOYSA-N
-rxn:3:55877:11407:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)c1cncc(C2CC2Cn2cc(C3CCN(C4CCCC4)CC3)nn2)c1,KWXRNBZEJRMRBH-UHFFFAOYSA-N
-rxn:3:55877:16782:77856,Cc1c(-c2cn(CC3CC3c3cncc(C(=O)N[C@H]4CCCC(F)(F)C4)c3)nn2)cnn1CCN(C)C,RWDKRRWLRHSQNV-ORFBVSJDSA-N
-rxn:3:55877:16806:140611,CCc1c(-c2cn(CC3CC3c3cncc(C(=O)NC4CCCC(F)(F)C4)c3)nn2)cnn1CCN(C)C,GIOSGNMYMHGFKJ-UHFFFAOYSA-N
-rxn:3:55877:16806:81290,CCc1c(-c2cn(CC3CC3c3cncc(C(=O)NC4CCCCC4(F)F)c3)nn2)cnn1CCN(C)C,JHACQTWYYXQHBQ-UHFFFAOYSA-N
-rxn:3:55877:17644:107063,CN(C)CCn1nc(-c2cn(CC3CC3c3cncc(C(=O)NC4CCCC4(F)F)c3)nn2)cc1C1CCCC1,NFMJYPYBIMKHNC-UHFFFAOYSA-N
-rxn:3:55877:17644:81290,CN(C)CCn1nc(-c2cn(CC3CC3c3cncc(C(=O)NC4CCCCC4(F)F)c3)nn2)cc1C1CCCC1,RNANCMZZXCOVEL-UHFFFAOYSA-N
-rxn:3:55877:17644:85069,CN(C)CCn1nc(-c2cn(CC3CC3c3cncc(C(=O)NC4CCC(F)(F)CC4)c3)nn2)cc1C1CCCC1,ACZBGIAYMLABTL-UHFFFAOYSA-N
-rxn:3:55877:17644:95501,CN(C)CCn1nc(-c2cn(CC3CC3c3cncc(C(=O)NC4CCC4(F)F)c3)nn2)cc1C1CCCC1,BQJVHCDMEDTCCL-UHFFFAOYSA-N
-rxn:3:55879:7075:108916,CCS(=O)(=O)c1ccc(OC)c(NC(=O)c2ncccc2C2CC2Cn2cc(-c3cccnc3N3CCN(C)CC3)nn2)c1,NWDJXZIKMUDNMR-UHFFFAOYSA-N
-rxn:3:55879:8:89298,O=C(Nc1ccc(S(=O)(=O)CC2CCCC2)cc1)c1ncccc1C1CC1Cn1cc(-c2ccc(N3CCCC3)nn2)nn1,KVRMAELLKAUKSF-UHFFFAOYSA-N
-rxn:3:55883:16806:107063,CCc1c(-c2cn(CC3CC3c3cccc(C(=O)NC4CCCC4(F)F)n3)nn2)cnn1CCN(C)C,QXPVVBYDQTZBIK-UHFFFAOYSA-N
-rxn:3:55883:6404:139082,CN1CCCN(c2ncc(-c3cn(CC4CC4c4cccc(C(=O)Nc5cccc(CS(C)(=O)=O)c5)n4)nn3)cn2)CC1,CKTINHVCHMSHSQ-UHFFFAOYSA-N
-rxn:3:55884:16806:107063,CCc1c(-c2cn(CC3CC3c3ccc(C(=O)NC4CCCC4(F)F)cn3)nn2)cnn1CCN(C)C,GPGOCPUZKLSLAY-UHFFFAOYSA-N
-rxn:3:55884:16806:81290,CCc1c(-c2cn(CC3CC3c3ccc(C(=O)NC4CCCCC4(F)F)cn3)nn2)cnn1CCN(C)C,KAGXTXIDJFDGCC-UHFFFAOYSA-N
-rxn:3:55884:6136:91653,CCn1ncc(-c2cn(CC3CC3c3ccc(C(=O)Nc4cccc(S(=O)(=O)C5CCOCC5)c4)cn3)nn2)c1C1CCC1,LCEFPOAWIFBBSY-UHFFFAOYSA-N
-rxn:3:56124:38941:66839,O=C(Nc1cc(C2CC2)ccc1C1CC1)c1c(F)cccc1C1CC1Cn1cc(CC2CCCCC2)nn1,UYRJZXMEZGSLPF-UHFFFAOYSA-N
-rxn:3:56124:6403:91653,CN1CCN(c2ncc(-c3cn(CC4CC4c4cccc(F)c4C(=O)Nc4cccc(S(=O)(=O)C5CCOCC5)c4)nn3)cn2)CC1,PDKOGIFKXFQDSM-UHFFFAOYSA-N
-rxn:3:56298:6403:91047,COc1ccc(C2CCCC(NC(=O)c3cc(C4CC4Cn4cc(-c5cnc(N6CCN(C)CC6)nc5)nn4)ncc3F)C2)cc1OC,WTAYXFCMECEGRP-UHFFFAOYSA-N
-rxn:3:56299:6998:74995,CCc1ncnc(-c2cn(CC3CC3c3nccc(C(=O)Nc4ccc(OC5CCOCC5)cc4OC)c3F)nn2)c1F,QPHAGSZFQOEMLG-UHFFFAOYSA-N
-rxn:3:56327:18718:108916,CCS(=O)(=O)c1ccc(OC)c(NC(=O)c2ncc(C)cc2C2CC2Cn2cc(-c3cc(C4CCCCC4)ccn3)nn2)c1,XAWPQDTUZUBTGN-UHFFFAOYSA-N
-rxn:3:56327:6397:108916,CCS(=O)(=O)c1ccc(OC)c(NC(=O)c2ncc(C)cc2C2CC2Cn2cc(-c3cnc(N4CCCCC4)nc3)nn2)c1,DDAMTQLMKVDJJS-UHFFFAOYSA-N
-rxn:3:56329:16806:140611,CCc1c(-c2cn(CC3CC3c3cnc(C(=O)NC4CCCC(F)(F)C4)c(C)c3)nn2)cnn1CCN(C)C,FAHWDOHZSXGUMH-UHFFFAOYSA-N
-rxn:3:56330:29726:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)Cc1ccc(C2CC2Cn2cc(C3=CCCCCCCCCCC3)nn2)cn1,RZNYWFHYBSUKLO-UHFFFAOYSA-N
-rxn:3:56514:6402:107323,COc1cccc(C2CC2Cn2cc(-c3cnc(N4CCCCCC4)nc3)nn2)c1C(=O)NC1CCCc2cccc(OC)c21,XCNSRPDAMSMUIS-UHFFFAOYSA-N
-rxn:3:56520:29726:151955,CSc1ncc(C2CC2Cn2cc(C3=CCCCCCCCCCC3)nn2)c(C(=O)Nc2ccc3ccc(OS(=O)(=O)F)cc3c2)n1,WMJIXVGFWQLAJY-UHFFFAOYSA-N
-rxn:3:57889:2850:77250,CN(C)c1ncccc1-c1cn(CCCc2ccnc(C(=O)NCC3CCC4(CCC(F)(F)CC4)O3)c2)nn1,VFRYAMNTFZNHKB-UHFFFAOYSA-N
-rxn:3:58229:6403:148867,CN1CCN(c2ncc(-c3cn(CCCc4cc(C(=O)Nc5cc6c(cc5CS(C)(=O)=O)OCCO6)c(F)cn4)nn3)cn2)CC1,PRABACJDJYSRRM-UHFFFAOYSA-N
-rxn:3:5864:57355:71532,CN(C)c1ccnc2ccc(-c3cn(CCCc4ccc(C(=O)NC5CC6(CCC(F)(F)CC6)C5)o4)nn3)cc12,OMFGZNKPOXXNPP-UHFFFAOYSA-N
-rxn:3:5864:57885:103402,CN(C)c1ccnc2ccc(-c3cn(CCCc4cc(C(=O)NC5CCC6(CC5)CC(F)(F)C6)ccn4)nn3)cc12,XSZWHZJKHDMYNV-UHFFFAOYSA-N
-rxn:3:5864:57885:71532,CN(C)c1ccnc2ccc(-c3cn(CCCc4cc(C(=O)NC5CC6(CCC(F)(F)CC6)C5)ccn4)nn3)cc12,WSTBSMWMOPZHLI-UHFFFAOYSA-N
-rxn:3:5864:57886:71532,CN(C)c1ccnc2ccc(-c3cn(CCCc4cccc(C(=O)NC5CC6(CCC(F)(F)CC6)C5)n4)nn3)cc12,RHFHISNBKXWQPM-UHFFFAOYSA-N
-rxn:3:5864:57887:103402,CN(C)c1ccnc2ccc(-c3cn(CCCc4ccc(C(=O)NC5CCC6(CC5)CC(F)(F)C6)cn4)nn3)cc12,CAEHDULXFJXFIJ-UHFFFAOYSA-N
-rxn:3:5864:57887:71532,CN(C)c1ccnc2ccc(-c3cn(CCCc4ccc(C(=O)NC5CC6(CCC(F)(F)CC6)C5)cn4)nn3)cc12,SPHNBTRPKCPPNR-UHFFFAOYSA-N
-rxn:3:5864:57889:71532,CN(C)c1ccnc2ccc(-c3cn(CCCc4ccnc(C(=O)NC5CC6(CCC(F)(F)CC6)C5)c4)nn3)cc12,OYHFBAMVYOATHY-UHFFFAOYSA-N
-rxn:3:59852:17879:151955,O=C(Nc1ccc2ccc(OS(=O)(=O)F)cc2c1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccn4C4CCSC4)nn3)C2)CCO1,ADHKFLMVIUCUCB-RTUFMFEKSA-N
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-rxn:3:60078:2123:140297,COc1cc(OCC2CCCC2)ccc1NC(=O)c1cc2n(CCn3cc(C4CCC(F)(F)C4)nn3)ccn2n1,LZKQLMSXWFHYEO-UHFFFAOYSA-N
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-rxn:3:60637:6402:99092,CCc1ccc(OCC2CCC2)c(NC(=O)c2cc(-n3cc(-c4cnc(N5CCCCCC5)nc4)nn3)ccc2OC)c1,WKOIGLNUIASCCU-UHFFFAOYSA-N
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-rxn:3:61600:6402:111816,COc1ccc(OC)c2c1OCC[C@@H]2NC(=O)c1cc(F)ccc1OCCn1cc(-c2cnc(N3CCCCCC3)nc2)nn1,YYMFXSAGNHXEEJ-DEOSSOPVSA-N
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-rxn:3:62466:15515:129999,CCCc1nn(C2CCCCC2)cc1-c1cn(C2CCC(C(=O)Nc3ccccc3OS(=O)(=O)F)C3CCC32)nn1,ZECHKZJZZOLONH-UHFFFAOYSA-N
-rxn:3:62466:15558:151955,O=C(Nc1ccc2ccc(OS(=O)(=O)F)cc2c1)C1CCC(n2cc(-c3cn(C4CCCSC4)nc3CC3CC3)nn2)C2CCC12,TVMPLSIDMKBENM-UHFFFAOYSA-N
-rxn:3:62466:18591:151955,O=C(Nc1ccc2ccc(OS(=O)(=O)F)cc2c1)C1CCC(n2cc(-c3nn(C4CCCCC4)cc3C3CCC3)nn2)C2CCC12,IJSGURPXCIHQDX-UHFFFAOYSA-N
-rxn:3:62466:28204:158384,C=C1CN2CCCC2(c2cn(C3CCC(C(=O)Nc4ccc5cc(OS(=O)(=O)F)ccc5c4)C4CCC43)nn2)C1,OGROBWHGEJFKRO-UHFFFAOYSA-N
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-rxn:3:6257:59958:151783,CN1CCC(N(C)c2cc(-c3cn([C@@H]4CCC[C@@H](C(=O)Nc5ccc(OS(=O)(=O)F)c6ccccc56)C4)nn3)ncn2)CC1,HPHUXRBDABXACL-IFMALSPDSA-N
-rxn:3:62633:16780:81931,Cc1c(-c2cn(CC3CC(=O)N(C4CCCC(C(=O)NCc5ccc(S(=O)(=O)F)s5)C4)C3)nn2)cnn1C1CCCSC1,SOHKLYUSFCCOEK-UHFFFAOYSA-N
-rxn:3:62633:17910:81931,Cc1ccnc(-n2cc(-c3cn(CC4CC(=O)N(C5CCCC(C(=O)NCc6ccc(S(=O)(=O)F)s6)C5)C4)nn3)cn2)c1C1CC1,VZNAAZMZBQELKH-UHFFFAOYSA-N
-rxn:3:62633:18813:81931,CC(C1CCCC1)n1nccc1-c1cn(CC2CC(=O)N(C3CCCC(C(=O)NCc4ccc(S(=O)(=O)F)s4)C3)C2)nn1,VCHUKXZBMLOOGB-UHFFFAOYSA-N
-rxn:3:62633:19199:81931,CC(C1CCC1)n1cc(-c2cn(CC3CC(=O)N(C4CCCC(C(=O)NCc5ccc(S(=O)(=O)F)s5)C4)C3)nn2)cn1,DHRKAFXLPFUILE-UHFFFAOYSA-N
-rxn:3:62819:6123:137676,Cn1ncc(-c2cn(Cc3ccc(C(=O)Nc4ccccc4S(=O)(=O)C4CCCCC4)cn3)nn2)c1C1CCCCC1,TVUWZVXYAUKVHW-UHFFFAOYSA-N
-rxn:3:62829:4578:131099,Cc1ccc(NC(=O)[C@H](C2CCCCC2)N2CC(Cn3cc(-c4cnc5ccccc5c4)nn3)CC2=O)cc1OCC1CC1,IZGYXHAKBLUZGU-NCJJPXCVSA-N
-rxn:3:63289:6397:107323,COc1ccc(N2CC(Cn3cc(-c4cnc(N5CCCCC5)nc4)nn3)CC2=O)cc1C(=O)NC1CCCc2cccc(OC)c21,OODGPUPXACGYAR-UHFFFAOYSA-N
-rxn:3:63484:31672:95926,Cc1cc(NC(=O)c2ccc(N3CC(Cn4cc(-c5cc6ncn(C)c6cc5F)nn4)CC3=O)c(C)c2)ccc1OCC1CCCCC1,QXHOFFHJLMROGP-UHFFFAOYSA-N
-rxn:3:6362:59842:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1CC=C[C@H](n2cc(-c3cc(C4CCC4)ncn3)nn2)C1,NNXDRTTVWFONDZ-OALUTQOASA-N
-rxn:3:6383:40754:128534,CN(C)c1cc(-c2cn(CC=Cc3ccc(C(=O)NC4CC[Si]5(CCCC5)CC4)c(F)c3)nn2)ncn1,VHMGNKMNQKFBTL-UHFFFAOYSA-N
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-rxn:3:6383:58591:103402,CN(C)c1cc(-c2cn(CCCc3ccc4cc(C(=O)NC5CCC6(CC5)CC(F)(F)C6)ccc4c3)nn2)ncn1,BSXOWNWIJHQDIE-UHFFFAOYSA-N
-rxn:3:6383:58592:71532,CN(C)c1cc(-c2cn(CCCc3cccc4c(C(=O)NC5CC6(CCC(F)(F)CC6)C5)cccc34)nn2)ncn1,SAYMDOQPGLWPEF-UHFFFAOYSA-N
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-rxn:3:6392:65512:111610,O=C(NC1(COS(=O)(=O)[O-])CCCC1)c1cnc(N2CC(Cn3cc(-c4nccn5nccc45)nn3)CC2=O)o1,NEMNZZTZWJHAOK-UHFFFAOYSA-M
-rxn:3:6396:59842:84946,O=C(NCc1ccc(OS(=O)(=O)F)cc1)[C@H]1CC=C[C@H](n2cc(-c3cnc(N4CCCC4)nc3)nn2)C1,KEIFEDVMDYVDQN-ICSRJNTNSA-N
-rxn:3:6396:59852:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnc(N5CCCC5)nc4)nn3)C2)CCO1,KCLCTRKGCDQGSL-GRIOEYINSA-N
-rxn:3:63966:6402:168103,O=C1CC(Cn2cc(-c3cnc(N4CCCCCC4)nc3)nn2)CN1C1(C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)CCCCC1,UEVDCYHTDPDLEI-UHFFFAOYSA-M
-rxn:3:6397:40556:120574,O=C(NC12CCCC1CS(=O)(=O)C2)c1ncccc1C=CCn1cc(-c2cnc(N3CCCCC3)nc2)nn1,KMPRFOGCWCBDBO-UHFFFAOYSA-N
-rxn:3:6397:53780:105510,O=C(NCC1CCCS(=O)(=O)C1)c1ncccc1OCCn1cc(-c2cnc(N3CCCCC3)nc2)nn1,CCXYILZADLQZJO-UHFFFAOYSA-N
-rxn:3:6397:53780:65938,O=C(NCC1COCCS(=O)(=O)C1)c1ncccc1OCCn1cc(-c2cnc(N3CCCCC3)nc2)nn1,GJMOLHXCJZRMOQ-UHFFFAOYSA-N
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-rxn:3:6397:59842:158384,O=C(Nc1ccc2cc(OS(=O)(=O)F)ccc2c1)[C@H]1CC=C[C@H](n2cc(-c3cnc(N4CCCCC4)nc3)nn2)C1,IFAZAVFDHXNRLD-URXFXBBRSA-N
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-rxn:3:6402:40002:120574,O=C(NC12CCCC1CS(=O)(=O)C2)c1sccc1C=CCn1cc(-c2cnc(N3CCCCCC3)nc2)nn1,XCQGJFMSHOOCSV-UHFFFAOYSA-N
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-rxn:3:6402:40563:120574,O=C(NC12CCCC1CS(=O)(=O)C2)c1ccncc1C=CCn1cc(-c2cnc(N3CCCCCC3)nc2)nn1,VKSOEPWPJOTESR-UHFFFAOYSA-N
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-rxn:3:6402:59852:132818,O=C(NCCc1ccc(S(=O)(=O)F)s1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnc(N5CCCCCC5)nc4)nn3)C2)CCO1,YBIZDPZYMRQOBW-ZJBJZFMFSA-N
-rxn:3:6402:60078:139274,O=C(N[C@@H]1CC[C@H](CS(=O)(=O)F)C1)c1cc2n(CCn3cc(-c4cnc(N5CCCCCC5)nc4)nn3)ccn2n1,CLUGEBDMTQWRAG-PZJWPPBQSA-N
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-rxn:3:6402:60078:90515,O=C(N[C@H]1CC[C@@H](CS(=O)(=O)F)CC1)c1cc2n(CCn3cc(-c4cnc(N5CCCCCC5)nc4)nn3)ccn2n1,BEYFGHOTHYLAKQ-GRGXKFILSA-N
-rxn:3:6402:60078:98129,O=C(NC1CCC(CS(=O)(=O)F)C1)c1cc2n(CCn3cc(-c4cnc(N5CCCCCC5)nc4)nn3)ccn2n1,CLUGEBDMTQWRAG-UHFFFAOYSA-N
-rxn:3:6402:61600:120574,O=C(NC12CCCC1CS(=O)(=O)C2)c1cc(F)ccc1OCCn1cc(-c2cnc(N3CCCCCC3)nc2)nn1,WPDBSDXVSURFQS-UHFFFAOYSA-N
-rxn:3:6402:65364:81931,O=C(NCc1ccc(S(=O)(=O)F)s1)c1ncccc1N1CC(Cn2cc(-c3cnc(N4CCCCCC4)nc3)nn2)CC1=O,RIFXTCUMGUKQOK-UHFFFAOYSA-N
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-rxn:3:6403:46343:121443,CN1CCN(c2ncc(-c3cn(CCC=Cc4nccc(C(=O)NOS(C)(=O)=O)c4F)nn3)cn2)CC1,LLFKUSTWTGHMPT-UHFFFAOYSA-N
-rxn:3:6403:59842:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1CC=C[C@H](n2cc(-c3cnc(N4CCN(C)CC4)nc3)nn2)C1,VJJMXMVYSODSQP-FPOVZHCZSA-N
-rxn:3:6403:59958:151955,CN1CCN(c2ncc(-c3cn([C@@H]4CCC[C@@H](C(=O)Nc5ccc6ccc(OS(=O)(=O)F)cc6c5)C4)nn3)cn2)CC1,YJYPWIFOZJJGCT-HYBUGGRVSA-N
-rxn:3:6403:59958:158384,CN1CCN(c2ncc(-c3cn([C@@H]4CCC[C@@H](C(=O)Nc5ccc6cc(OS(=O)(=O)F)ccc6c5)C4)nn3)cn2)CC1,DISKFOAJUDXITL-ZJSXRUAMSA-N
-rxn:3:6403:59958:84946,CN1CCN(c2ncc(-c3cn([C@@H]4CCC[C@@H](C(=O)NCc5ccc(OS(=O)(=O)F)cc5)C4)nn3)cn2)CC1,CNVOHMBVSKEYOR-TZIWHRDSSA-N
-rxn:3:6403:60078:140472,CN1CCN(c2ncc(-c3cn(CCn4ccn5nc(C(=O)NC6CCC(CS(=O)(=O)F)CC6)cc45)nn3)cn2)CC1,AAUAXDYEUIWHGP-UHFFFAOYSA-N
-rxn:3:6403:60078:98129,CN1CCN(c2ncc(-c3cn(CCn4ccn5nc(C(=O)NC6CCC(CS(=O)(=O)F)C6)cc45)nn3)cn2)CC1,XFNKHNSNONXUEG-UHFFFAOYSA-N
-rxn:3:6403:62550:151783,CN1CCN(c2ncc(-c3cn(C[C@@H]4CC[C@H]4C(=O)Nc4ccc(OS(=O)(=O)F)c5ccccc45)nn3)cn2)CC1,HVOPVVRIEUSATD-AZUAARDMSA-N
-rxn:3:6403:62550:84946,CN1CCN(c2ncc(-c3cn(C[C@@H]4CC[C@H]4C(=O)NCc4ccc(OS(=O)(=O)F)cc4)nn3)cn2)CC1,YGXHHBUIGDRQJW-GHTZIAJQSA-N
-rxn:3:6403:64740:151783,CN1CCN(c2ncc(-c3cn(CC4CC(=O)N(c5ccc(C(=O)Nc6ccc(OS(=O)(=O)F)c7ccccc67)nn5)C4)nn3)cn2)CC1,ANYJDKRPZUVUJX-UHFFFAOYSA-N
-rxn:3:6404:40920:121443,CN1CCCN(c2ncc(-c3cn(CC=Cc4nccc(C(=O)NOS(C)(=O)=O)c4F)nn3)cn2)CC1,XZCONGPKICLVCI-UHFFFAOYSA-N
-rxn:3:6404:55246:151783,CN1CCCN(c2ncc(-c3cn(CC4CC4c4sccc4C(=O)Nc4ccc(OS(=O)(=O)F)c5ccccc45)nn3)cn2)CC1,LGNXAILDXUKWBU-UHFFFAOYSA-N
-rxn:3:6404:55246:84946,CN1CCCN(c2ncc(-c3cn(CC4CC4c4sccc4C(=O)NCc4ccc(OS(=O)(=O)F)cc4)nn3)cn2)CC1,KYOBHAPVQLYRFT-UHFFFAOYSA-N
-rxn:3:6404:55248:92547,CN1CCCN(c2ncc(-c3cn(CC4CC4c4cscc4C(=O)Nc4ccc(OS(=O)(=O)F)cc4)nn3)cn2)CC1,DRUQGQZRBYTCKP-UHFFFAOYSA-N
-rxn:3:6404:55465:92547,CN1CCCN(c2ncc(-c3cn(CC4CC4c4ncc(C(=O)Nc5ccc(OS(=O)(=O)F)cc5)s4)nn3)cn2)CC1,UIXWUGOKBCLDNI-UHFFFAOYSA-N
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-rxn:1:6257:54573,CN1CCC(N(C)c2cc(-c3cn(CCC4C(c5ccc([N+](=O)[O-])c(O)c5)C4(F)F)nn3)ncn2)CC1,XYKFIPKXGRBROJ-UHFFFAOYSA-N
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-rxn:1:64575:39210,N#Cc1cc(N2CC(Cn3cc(COC(=O)c4cc(Br)c5[nH]c(-c6ccc(Br)cc6)nc5c4)nn3)CC2=O)ccc1N1CCCC1,CLBMEDVUBMZSEI-UHFFFAOYSA-N
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-rxn:2:109523:139721,COC1C(C)C(NC(CCC(C)C)C(C)C)C12CCC2,WIWDBNSBSFSIML-UHFFFAOYSA-N
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-rxn:2:111645:166041,CCN1CCN(c2ccc(NC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)cc2OC)CC1,QAKBLSPMBCFAOA-UHFFFAOYSA-N
-rxn:2:111722:167576,CC(C)C1CCCN1C1CCCCC1CNC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,AKPNEJUACKPDHM-UHFFFAOYSA-N
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-rxn:2:112685:83614,Cc1ccc(C(CCN2CCCCCC2)NC(c2ccc(S(C)(=O)=O)cc2)C2CC2)cc1,YBEAZBWDCXTPQB-UHFFFAOYSA-N
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-rxn:2:113378:171943,Cc1cccc(C2CC2C(NOCC2CCN(C3CCS(=O)(=O)C3)CC2)c2cccs2)c1,FVBQTJQTGBTEHC-UHFFFAOYSA-N
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-rxn:2:114046:120398,COc1ccc(C(CN2CCCCC2)NCC2(c3cccc(S(C)(=O)=O)c3)CCC2)cc1OC,XINJLLPTJWZTEJ-UHFFFAOYSA-N
-rxn:2:114046:133940,COc1ccc(OC)c(C(CN2CCCCC2)NCC2(c3cccc(S(C)(=O)=O)c3)CCC2)c1,XAXNUGCAZWGJJK-UHFFFAOYSA-N
-rxn:2:114046:84790,COc1ccccc1C(CN1CCCCC1)NCC1(c2cccc(S(C)(=O)=O)c2)CCC1,CATNFBKLZWGQQF-UHFFFAOYSA-N
-rxn:2:115827:123092,COCCc1cc(N2CCC(Nc3cccn(CCCN4CCOCC4)c3=O)CC2)ncn1,NUXKALPDDSABSO-UHFFFAOYSA-N
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-rxn:2:119716:133618,CN(C)CCC(Cc1ccccc1)NCC1(S(=O)(=O)C2CCCC2)CC1,GGONNOBFUVULDD-UHFFFAOYSA-N
-rxn:2:119754:126402,CCC1C(F)(F)C12CCC(Nc1c(C)cc(OCCN(C)C)nc1C)CC2,VZMYOVPUOXNPFQ-UHFFFAOYSA-N
-rxn:2:119754:130979,CCC1C(F)(F)C12CCC(Nc1c(C)c(C3CC3)nn1CCN(C)C)CC2,JBCSRDAMDKDAQR-UHFFFAOYSA-N
-rxn:2:119759:140202,CC(NC(CC1CCCCC1)C1COCCO1)c1ccc(OS(C)(=O)=O)cc1,ZTGVVGCIMSVHOI-UHFFFAOYSA-N
-rxn:2:120574:146153,COc1ccc(-c2ccc(C(CN3CCCC3)NC34CCCC3CS(=O)(=O)C4)cc2)cc1,QVCCOSFTBXHVEI-UHFFFAOYSA-N
-rxn:2:120592:128977,CCn1cc(C(CN2CCOCC2)Nc2cccnc2N2CCN(CCOC)CC2)c(C)n1,SIUZBEHVFFFPKP-UHFFFAOYSA-N
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-rxn:2:120784:126131,CCOCC1CCN(c2ccccc2NC(C)CCCN2CCCCC2)CC1,QKENRYCBTCAORK-UHFFFAOYSA-N
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-rxn:2:121058:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2(N(C)CC3CCCO3)CCCSC2)cn1,AYDRSZITXKWBMA-UHFFFAOYSA-N
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-rxn:2:127288:158917,Cc1c(C(C)NC(c2ccc(-c3cnn(C4CCOC4)c3)cc2)C2CC2)cnn1C1CCS(=O)(=O)C1,GOPHSQRATCIJIH-UHFFFAOYSA-N
-rxn:2:128132:163379,Cc1ccc2c(c1)C(Nc1cncc(OS(=O)(=O)F)c1)C(CN1CCN(C)CC1)CCO2,OHSNDLNOMGQPSN-UHFFFAOYSA-N
-rxn:2:128190:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCC2CCCCN2CC2CSC2)cn1,BKTTWWJMPYBFKX-UHFFFAOYSA-N
-rxn:2:128590:140202,CC(NC1CCCCC1OCC1CCCO1)c1ccc(OS(C)(=O)=O)cc1,UNJMNXSFSLSZJB-UHFFFAOYSA-N
-rxn:2:128590:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NC2CCCCC2OCC2CCCO2)cs1,FIMYDEINYQAPIN-UHFFFAOYSA-N
-rxn:2:129787:160854,CC(C)CCn1c2c(cc(C(C)NC3CN(C)CC3c3ccsc3)c1=O)CN(C)CC2,WJBXNBXZYFVQNV-UHFFFAOYSA-N
-rxn:2:129949:164290,Cc1cc(=O)n(C)c(N2CCCC(NC(CN3CCN(C)CC3)c3c(C)[nH]c4ccccc34)C2)n1,YOIJHMYURVBKHG-UHFFFAOYSA-N
-rxn:2:130220:140202,CC(NCC1CCCCC1OCC1CCCCO1)c1ccc(OS(C)(=O)=O)cc1,CTZTXIOQHAIVCE-UHFFFAOYSA-N
-rxn:2:130220:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NCC2CCCCC2OCC2CCCCO2)cs1,UZTHYQZZBLEWSF-UHFFFAOYSA-N
-rxn:2:130346:99201,O=c1ccc(NC(c2ccc(CN3CCCCC3)cc2)C2CCCCC2)cn1CCOC1CCC1,GVBICOZQJZPXBD-UHFFFAOYSA-N
-rxn:2:131073:66556,CCN(C)c1cc(N2CCC(Nc3ccc(N4CCC(F)(F)C4)cc3OC)CC2)nc(C)n1,SUBRSPVCLKCGRS-UHFFFAOYSA-N
-rxn:2:131119:148822,COc1cc(CN2CCC(NC(c3ccc(S(C)(=O)=O)cc3)C3CCCCC3)C2)cc(OC)c1,HNDJDXDHMBHAIQ-UHFFFAOYSA-N
-rxn:2:133006:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2nccc(C3CCCN3C3CCCCC3)n2)cn1,MKGJRUNYQHZLMW-UHFFFAOYSA-N
-rxn:2:134171:167576,CC(CN1CCC(N2CCCCCC2)C1)NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,YBVPLVPFTVPNOG-UHFFFAOYSA-N
-rxn:2:135079:140202,CC(NC1CC2CCC(C1)N2C1CCOCC1)c1ccc(OS(C)(=O)=O)cc1,VLWXNWQTQJSOMM-UHFFFAOYSA-N
-rxn:2:135079:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CC3CCC(C2)N3C2CCOCC2)cn1,DHAUXOJWCRPWHW-UHFFFAOYSA-N
-rxn:2:136580:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCCN2CCC(N3CCSCC3)CC2)cn1,UONSYQRUFJEBBW-UHFFFAOYSA-N
-rxn:2:136805:156200,CCOc1ncccc1-c1cc2c(cc1C(C)NCC1C(c3cnc(OC)nc3OC)C1(F)F)OCCO2,BHBQNQOHYZXUCZ-UHFFFAOYSA-N
-rxn:2:136932:140202,CC(NC1CC2CCC(C1)N2C1CCCCC1)c1ccc(OS(C)(=O)=O)cc1,HWVULFGXXHLFBC-UHFFFAOYSA-N
-rxn:2:136932:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CC3CCC(C2)N3C2CCCCC2)cn1,DDTMLOJQGOEMME-UHFFFAOYSA-N
-rxn:2:136990:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cccc3c2CN(C2CCN4CCCC24)C3)cn1,VLJVOODDKZESKU-UHFFFAOYSA-N
-rxn:2:138351:159992,CC(=O)n1ncc2c(-c3cc(C(C)NCC4CCN(C5CCS(=O)(=O)C5)CC4)ccn3)cccc21,PBRYMNMADCUHRQ-UHFFFAOYSA-N
-rxn:2:138351:168910,CC(=O)n1ncc2c(-c3cccc(C(C)NCC4CCN(C5CCS(=O)(=O)C5)CC4)n3)cccc21,PDTMMFKJSPHOSY-UHFFFAOYSA-N
-rxn:2:138363:148941,CC(NCC1CCN(C2CCCN(C)CC2)CC1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,YTGUKEKCOYGQLK-UHFFFAOYSA-N
-rxn:2:138363:156195,CC(NCC1CCN(C2CCCN(C)CC2)CC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,UCPJNFMBKZJROQ-UHFFFAOYSA-N
-rxn:2:138546:164666,Cc1cc(C(C)Nc2ccc(N3CCC(N(C)C)CC3)cn2)c2nc(N3CCOCC3)cc(=O)n2c1,WJLDMTDKBWTYHN-UHFFFAOYSA-N
-rxn:2:138570:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCC2CCCCCN2CC2CN(C)C2)cn1,UMASNLXXRSQJSQ-UHFFFAOYSA-N
-rxn:2:138652:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CC3CCC2CN3C2CCCCC2)cn1,WUUGZYZLAZTBCK-UHFFFAOYSA-N
-rxn:2:140012:163512,CCS(=O)(=O)c1ccc(-c2ncccc2C(C)NCCCN2CCC3(CC(OC)CCO3)C2)cc1,BNLDZAQOJWCPSJ-UHFFFAOYSA-N
-rxn:2:140012:68819,CCS(=O)(=O)c1ncc(C(C)NCCCN2CCC3(CC(OC)CCO3)C2)cn1,LHJOOZHCENVPJP-UHFFFAOYSA-N
-rxn:2:140318:147439,CC(NC1CCCCC1OS(C)(=O)=O)c1ccc(-c2cccc(N3CCOCC3)c2)s1,BGLIQPJXWSIQPE-UHFFFAOYSA-N
-rxn:2:140318:148454,Cc1ccc(C(CN2CCOCC2)NC2CCCCC2OS(C)(=O)=O)c2ccccc12,KMNHKNQAGYREEI-UHFFFAOYSA-N
-rxn:2:140318:150331,COc1ccc(C(C)NC2CCCCC2OS(C)(=O)=O)cc1-c1ccc2c(c1)OCCCO2,PAPURRZMYWHJFH-UHFFFAOYSA-N
-rxn:2:140318:150477,COc1cc(C(C)NC2CCCCC2OS(C)(=O)=O)ccc1OC1CCc2ccccc21,DJNBZEOMVZUSIY-UHFFFAOYSA-N
-rxn:2:140318:154363,COc1ccsc1C(NC1CCCCC1OS(C)(=O)=O)c1ccc2c(c1)CCCCO2,NYYNYTYMLMBDIC-UHFFFAOYSA-N
-rxn:2:140318:160659,CC(NC1CCCCC1OS(C)(=O)=O)c1cc(-c2cccc(N3CCOCC3)c2)cs1,NJTPDSVLEGCCNR-UHFFFAOYSA-N
-rxn:2:140318:167642,Cc1ccc(C(CN2CCCC2)NC2CCCCC2OS(C)(=O)=O)c2ccccc12,JCCPREQIOAEJEJ-UHFFFAOYSA-N
-rxn:2:140318:169409,CCC(NC1CCCCC1OS(C)(=O)=O)c1ccc(-c2ccc3c(c2)OCCCO3)s1,YKPLICNVPPJYFQ-UHFFFAOYSA-N
-rxn:2:141155:78065,COc1nc(N2CCCC2)ccc1C(C)Nc1ccc2c(n1)N(CCCN(C)C)CCO2,MXVJJWRDBWFROE-UHFFFAOYSA-N
-rxn:2:141475:160431,CCc1ccc([C@H](CC2CC2)NC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)s1,GQGMGOJUWSJTQG-WLXPTCNVSA-N
-rxn:2:141720:147636,CCS(=O)(=O)n1cc(NC2c3cccc(OC)c3OCCC2CN2CCOCC2)cn1,LGFSIHHJXKBLMC-UHFFFAOYSA-N
-rxn:2:142040:151416,Cc1ccc(CN2CCC(CNC3CCC(Cc4ccc(S(C)(=O)=O)cc4)CC3)CC2)o1,QWLYSUGUEZNKOD-UHFFFAOYSA-N
-rxn:2:142040:166005,Cc1ccc(CN2CCC(CNC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)CC2)o1,TZAQIVOGRRTXEZ-UHFFFAOYSA-N
-rxn:2:146153:140318,COc1ccc(-c2ccc(C(CN3CCCC3)NC3CCCCC3OS(C)(=O)=O)cc2)cc1,CZPKNELCMZLUNG-UHFFFAOYSA-N
-rxn:2:147837:145434,COc1cccc2c1OCCC(CN1CCCCC1)C2NCCS(=O)(=O)c1nc2ccccc2o1,NLJYXJYAHXDFBO-UHFFFAOYSA-N
-rxn:2:148432:166041,COc1cccc2cc(C3(NC4CCC(COS(=O)(=O)c5ccc(C)cc5)CC4)CCCC3)sc12,GQVDMSYPAMCVLO-UHFFFAOYSA-N
-rxn:2:149145:140318,COc1ccc(C(CCN2CCCCC2)NC2CCCCC2OS(C)(=O)=O)c2ccccc12,VMXGJRSGXNGYHQ-UHFFFAOYSA-N
-rxn:2:161893:101788,CCN1CCN(c2nc(C)c(C(C)Nn3ccc4nc(N5CCOCC5)ncc4c3=O)c(C)n2)CC1,DRAIIZYKXXELAC-UHFFFAOYSA-N
-rxn:2:164687:136378,CC(Cn1ccnc1)N1Cc2ccc(NC3CCN(CCOS(C)(=O)=O)CC3)cc2C1,MRONIHSRRLLJHC-UHFFFAOYSA-N
-rxn:2:65895:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCC2CCSC3(CCCN(C)C3)C2)cn1,HMLLRNNNNNSMNI-UHFFFAOYSA-N
-rxn:2:66228:148941,CC(NC1CCCC1N1CCCN(C)CC1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,LPMYOUWBZCNCPO-UHFFFAOYSA-N
-rxn:2:66228:156195,CC(NC1CCCC1N1CCCN(C)CC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,ZMNJDAJWWFCXAI-UHFFFAOYSA-N
-rxn:2:66228:157448,CC(NC1CCCC1N1CCCN(C)CC1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,WQLZNXFPNLZUMH-UHFFFAOYSA-N
-rxn:2:66228:164099,CC(NC1CCCC1N1CCCN(C)CC1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,DGXHXLFPCLMLLC-UHFFFAOYSA-N
-rxn:2:66847:151416,CN(C)c1cccc(CN2CCC(CNC3CCC(Cc4ccc(S(C)(=O)=O)cc4)CC3)CC2)c1,OGDQDPNQKXEHQY-UHFFFAOYSA-N
-rxn:2:66847:166005,CN(C)c1cccc(CN2CCC(CNC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)CC2)c1,VFLHLHUDZBJQOY-UHFFFAOYSA-N
-rxn:2:68229:120702,CC(C)C1C(F)(F)C12CCC(Nc1cn(CCN(C)C)nc1C1CCC1)CC2,DQFKYCRBXKMFDQ-UHFFFAOYSA-N
-rxn:2:68229:83653,CC1C(F)(F)C12CCC(Nc1cn(CCN(C)C)nc1C1CCC1)CC2,DGWUBOMUGJYTTI-UHFFFAOYSA-N
-rxn:2:68985:166419,CC(NCC1(N2CCN(C)CC2)CCN(C)CC1)c1csc(-c2cccc(S(C)(=O)=O)c2)c1,IMAUXABYTNVSNU-UHFFFAOYSA-N
-rxn:2:69011:156809,CCC(C)C(CNC(C)c1ncccc1-c1ccc(S(C)(=O)=O)nc1)N1CCCOC(C)C1,MLMSJIIXONVGIL-UHFFFAOYSA-N
-rxn:2:69023:148941,CC(NC1CCCCCC1N1CCCN(C)CC1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,OKXWBWSLCKUVAH-UHFFFAOYSA-N
-rxn:2:69023:156195,CC(NC1CCCCCC1N1CCCN(C)CC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,UDWHDEJHTIOQNC-UHFFFAOYSA-N
-rxn:2:69403:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2(N(C)C3CCOCC3)CCSC2)cn1,UOIKFPQDESGVLP-UHFFFAOYSA-N
-rxn:2:70482:164099,CC(NC1CCN(C2CCN3CCCC23)C(C)C1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,UFPPCVAOOHOGIQ-UHFFFAOYSA-N
-rxn:2:70482:167576,CC1CC(NC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)CCN1C1CCN2CCCC12,KDHFMMDAZNXXAM-UHFFFAOYSA-N
-rxn:2:70683:112657,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(c2ccc(C3CCN(C)C3)nn2)C1,YBICBEYKDBTYLC-UHFFFAOYSA-N
-rxn:2:70799:120702,CC(C)C1C(F)(F)C12CCC(Nc1nn(CCN(C)C)cc1C1CCC1)CC2,TVVIHEJOMVIILR-UHFFFAOYSA-N
-rxn:2:70799:83653,CC1C(F)(F)C12CCC(Nc1nn(CCN(C)C)cc1C1CCC1)CC2,LFSGKRBQRCAUTG-UHFFFAOYSA-N
-rxn:2:71316:147702,CCS(=O)(=O)C(CNC(c1cccc(C)c1)c1cccc(CN2CCC2)c1)C1CCCC1,GNZULSPZCWQFOK-UHFFFAOYSA-N
-rxn:2:71316:79577,CCS(=O)(=O)C(CNC(CCN1CCCC(C)C1)c1cccc(C)c1)C1CCCC1,WMHXATNYQPJYFZ-UHFFFAOYSA-N
-rxn:2:71394:115615,CC(=O)Oc1cc(OC(C)NCC(F)(F)c2cnc(N3CCCC3)nc2)cc(C(C)=O)c1,WNDOQOISBLYVQN-UHFFFAOYSA-N
-rxn:2:72102:77257,CCN1CCCCCC1CC(NC(c1cccc(S(C)(=O)=O)c1)C1CCC1)c1cccs1,HAQHYCUKJIPHJS-UHFFFAOYSA-N
-rxn:2:72109:106196,CC(Nc1cccc2c1CCN2CCN(C)C)c1cnccc1OCCN1CCOCC1,IJNOCTJOPAUJCF-UHFFFAOYSA-N
-rxn:2:72381:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2C3CN4CCN(C3)CC2(C2CCCC2)C4)cn1,IGZUTQCMANJRJV-UHFFFAOYSA-N
-rxn:2:72474:166005,CCOc1ccc(CN2CCC(NC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)CC2)cn1,VMMCSKCPZBNTSX-UHFFFAOYSA-N
-rxn:2:73080:100530,COc1ccc(NC(c2ccccc2CN2CCSCC2)C2CCCC2)cc1OS(=O)(=O)F,FOSLFSOCBXMEAN-UHFFFAOYSA-N
-rxn:2:73080:117560,COc1ccc(NC(c2cccc(CN3CCN(C)CC3)c2)C2CCCC2)cc1OS(=O)(=O)F,RSLJCLKMBNBWJL-UHFFFAOYSA-N
-rxn:2:73080:119652,COc1ccc(NC2CCC(c3csc(C4CCN(C)C4)n3)CC2)cc1OS(=O)(=O)F,IYDTYFQBWDRCHY-UHFFFAOYSA-N
-rxn:2:73080:138789,COc1ccc(NC(c2ccc(CN3CCSCC3)cc2)C2CCC2)cc1OS(=O)(=O)F,POBQIGVEFYLLKG-UHFFFAOYSA-N
-rxn:2:73080:79402,COc1ccc(NC2CCC(c3nccc(C4CCN(C)C4)n3)CC2)cc1OS(=O)(=O)F,YBOANWJBGDBJHI-UHFFFAOYSA-N
-rxn:2:73080:81137,COc1ccc(NC(c2cccc(CN3CCSCC3)c2)C2CCC2)cc1OS(=O)(=O)F,JLHVHZXISSVFPI-UHFFFAOYSA-N
-rxn:2:73080:81554,COc1ccc(NC(c2cccc(CN3CCSCC3)c2)C2CCCC2)cc1OS(=O)(=O)F,XUBSWWLQCZUARQ-UHFFFAOYSA-N
-rxn:2:73080:85874,COc1ccc(NC(c2ccc(CN3CCN(C)CC3)cc2)C2CCCC2)cc1OS(=O)(=O)F,CSLWPJAHGLPHFI-UHFFFAOYSA-N
-rxn:2:73171:163913,COCCOc1ccc(-c2ccc3c(c2)CCC(NCc2cc(CN4CCCCCCC4)on2)C3)cn1,IMYBXFAIFGOQFM-UHFFFAOYSA-N
-rxn:2:73334:144270,CC(=O)c1cccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3(C)CC3)C2(F)F)n1,RRVARQBLLNDPSS-UHFFFAOYSA-N
-rxn:2:73502:111365,CC(NCC1CCC(C2CCCO2)O1)c1ccc(COS(C)(=O)=O)cc1,JXXMJOUDDRTHBD-UHFFFAOYSA-N
-rxn:2:73502:95576,CC(NCc1ccnc(N2CCN(C3CCC3)CC2)n1)c1ccc(COS(C)(=O)=O)cc1,LQHDKPKQNYANTF-UHFFFAOYSA-N
-rxn:2:73625:164099,CC(NC1CCC(C)N(CC2CCCO2)C1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,NPSXTBZUJGGVEK-UHFFFAOYSA-N
-rxn:2:74126:114295,CC1CCN(CCc2ccccc2NC(CC2CCOCC2)CS(C)(=O)=O)C(C)C1,LWQTVJBMHKZWHK-UHFFFAOYSA-N
-rxn:2:74144:151806,COc1ccccc1C(CNC(CS(C)(=O)=O)c1ccc2c(c1)CCC2)N1CCCC(C)C1,RVOGMXNNQJIFSG-UHFFFAOYSA-N
-rxn:2:74461:94800,COc1ccc(C(C)NCc2ccc(CN3CCS(=O)(=O)CC3)o2)cc1OC(C)C1CCN(C)CC1,QUIMCOOYXIVEKK-UHFFFAOYSA-N
-rxn:2:76532:144000,COC1CCOC2(CCN(CCCNC3CCc4cc(-c5cnc(N6CCOCC6)nc5)ccc43)CC2)C1,XBIPBIVXTPDOMI-UHFFFAOYSA-N
-rxn:2:76532:162198,COC1CCOC2(CCN(CCCNC3CCC(n4cc(-c5cnc6ccccc6c5)cn4)CC3)CC2)C1,VLIMSGADZLIVGM-UHFFFAOYSA-N
-rxn:2:76573:140202,CC1CCC(NC(C)c2ccc(OS(C)(=O)=O)cc2)C(CC2CCCO2)C1,MXNPSURFUVECND-UHFFFAOYSA-N
-rxn:2:76975:116958,CCn1cc(C(CN2CCOCC2)NCc2ccc(N3CCC(OC)CC3)cc2)cn1,BJGMWQWWTOSGGE-UHFFFAOYSA-N
-rxn:2:76975:128977,CCn1cc(C(CN2CCOCC2)NCc2ccc(N3CCC(OC)CC3)cc2)c(C)n1,VPHDTXFTVIERLT-UHFFFAOYSA-N
-rxn:2:76977:164099,CC(NCCN1CCN(C2CCCN(C)C2)CC1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,QNSIDOZQOKXWLZ-UHFFFAOYSA-N
-rxn:2:77052:147524,CCc1nc2cc(C(CCN3CCCC3)Nc3cnccc3OC3CCN(CC)CC3)ccc2[nH]1,DZTVSLZGZIPBAM-UHFFFAOYSA-N
-rxn:2:77052:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3cnccc3OC3CCN(CC)CC3)ccc2[nH]1,WPNXLCMUNWLXDP-UHFFFAOYSA-N
-rxn:2:77796:140318,CC(C)c1ccc(CC(CC2CCCO2)NC2CCCCC2OS(C)(=O)=O)cc1,ROPFFEFUYNVZLP-UHFFFAOYSA-N
-rxn:2:78219:79723,CCC(Nc1cccnc1OCCN1CCOCC1)c1ccc(N2CCN(CC)CC2)nc1C,NOMBAPFJWXWJPP-UHFFFAOYSA-N
-rxn:2:78810:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCCN(C3CC3)C2c2cncn2C)cn1,NZMMVBQYQNTXHT-UHFFFAOYSA-N
-rxn:2:79199:92129,c1nc(OCCN2CCCCC2)ncc1NC(CCN1CCCCC1)c1ccc2c(c1)CCC2,UVVUIUKVTKNHNH-UHFFFAOYSA-N
-rxn:2:79778:169635,CC(Nc1cc(=O)[nH]n1CCCN(C)C)c1cccc(C(F)(F)C(=N)SC2CCCC2)n1,YUXLSOLGBDWTPQ-UHFFFAOYSA-N
-rxn:2:79800:156718,Cc1cc(-c2ccc3c(c2)OCC3NCCS(=O)(=O)N=S(C)(C)=O)n(C2CCCCO2)n1,USPKBAJEJZFRMQ-UHFFFAOYSA-N
-rxn:2:79857:149999,COCc1cc(N2CCC(Nc3ccc(=O)n(CCCN4CCCCC4)c3)CC2)nc(-c2cccnc2)n1,SDKZYWVZMZCRKH-UHFFFAOYSA-N
-rxn:2:79857:162531,COCc1cc(N2CCC(Nc3ccc(=O)n(CCCN4CCCCC4)c3)CC2)nc(-c2cnccn2)n1,CDBCHXKZYPCNOZ-UHFFFAOYSA-N
-rxn:2:79906:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3ccc(OC4CCN(CC)CC4)nc3)ccc2[nH]1,GLAVEAUWWSFTDR-UHFFFAOYSA-N
-rxn:2:80161:167576,CC1CCCC(C)N1CC1CCCCCC1NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,DGAQWQPVCSLDJB-UHFFFAOYSA-N
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-rxn:3:16848:42876:69859,CN(C)CCn1ncc(-c2cn(CC#Cc3cccc(C(=O)N[C@H]4CC[Se]C4)c3F)nn2)c1C1CC1,ZXFIXRWWRVLDQF-FQEVSTJZSA-N
-rxn:3:16848:42881:69859,CN(C)CCn1ncc(-c2cn(CC#Cc3ccc(C(=O)N[C@H]4CC[Se]C4)c(F)c3)nn2)c1C1CC1,KNJVHQYULLRKBF-FQEVSTJZSA-N
-rxn:3:16859:59446:129999,O=C(Nc1ccccc1OS(=O)(=O)F)[C@H]1C[C@@H](n2cc(-c3cnn(C4CCCC4)c3C3CCC3)nn2)C1,LFCUKXVCOLPFMK-IZAXUBKRSA-N
-rxn:3:16861:59842:129999,O=C(Nc1ccccc1OS(=O)(=O)F)[C@H]1CC=C[C@H](n2cc(-c3cnn(C4CCCCC4)c3C3CCC3)nn2)C1,KREPVBCTPZNKGF-UNMCSNQZSA-N
-rxn:3:16863:64509:101404,O=C(NCCCS(=O)(=O)[O-])c1cncc(-n2cc(-c3cnn(C4CCSCC4)c3C3CCC3)nn2)c1,TUNIDIVIWSSDGN-UHFFFAOYSA-M
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-rxn:3:17903:59852:134099,O=C(NCCCS(=O)(=O)F)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(-c5cc(C6CCC6)ccn5)c4)nn3)C2)CCO1,OQBSJCHITAZYTR-DXCPIXMJSA-N
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-rxn:3:1848:40920:73632,CO[C@H]1CC[C@H](CNC(=O)c2ccnc(C=CCn3cc(-c4ccc(CN(C)C)cc4)nn3)c2F)CC1,ALIDJTHCGHBJGH-JKIUYZKVSA-N
-rxn:3:1890:44414:99962,CSc1nccc(-c2cn(CCC#Cc3cnc(C(=O)NCCCOC4CCS(=O)(=O)C4)nc3)nn2)n1,TWUHWFPVIWVPQF-UHFFFAOYSA-N
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-rxn:3:1911:57295:83031,C=CCN(C)Cc1cn(CCCc2sccc2C(=O)NC2C(F)(F)C23CCC3)nn1,RFOQUYRWBYVZPD-UHFFFAOYSA-N
-rxn:3:1911:57297:83031,C=CCN(C)Cc1cn(CCCc2cscc2C(=O)NC2C(F)(F)C23CCC3)nn1,IAWWEIIMMDGNIR-UHFFFAOYSA-N
-rxn:3:1911:57886:83031,C=CCN(C)Cc1cn(CCCc2cccc(C(=O)NC3C(F)(F)C34CCC4)n2)nn1,ZWKAFNUBZUYVNN-UHFFFAOYSA-N
-rxn:3:1911:57888:83031,C=CCN(C)Cc1cn(CCCc2ncccc2C(=O)NC2C(F)(F)C23CCC3)nn1,UKFGDNPXLABOMA-UHFFFAOYSA-N
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-rxn:3:23732:64276:151783,O=C1CC(Cn2cc([C@H]3C[C@@H](n4ccnn4)C3)nn2)CN1[C@H]1CC[C@@H](C(=O)Nc2ccc(OS(=O)(=O)F)c3ccccc23)CC1,RTCVBXZUCXMNCC-DYASWEPPSA-N
-rxn:3:23817:64126:151783,O=C1CC(Cn2cc(C3(n4ccnn4)CCCC3)nn2)CN1C[C@H]1CC[C@H](C(=O)Nc2ccc(OS(=O)(=O)F)c3ccccc23)CC1,IEQGEUBLBKCDKP-GLQXSRQHSA-N
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-rxn:3:40556:6404:136635,CN1CCCN(c2ncc(-c3cn(CC=Cc4cccnc4C(=O)NC4COc5c4cccc5S(C)(=O)=O)nn3)cn2)CC1,CMSYHDLDZSHWCM-UHFFFAOYSA-N
-rxn:3:40558:23826:101562,CC1(CNC(=O)c2ccnc(C=CCn3cc(C4(n5ccnc5)CCC4)nn3)c2)CS(=O)(=O)CCO1,HPXWYRWSKNYZGU-UHFFFAOYSA-N
-rxn:3:40558:6396:101562,CC1(CNC(=O)c2ccnc(C=CCn3cc(-c4cnc(N5CCCC5)nc4)nn3)c2)CS(=O)(=O)CCO1,PQIMVURSOKVPFV-UHFFFAOYSA-N
-rxn:3:40559:39618:86559,CN1CCC(N(C)Cc2cn(CC=Cc3cccc(C(=O)NC4C(F)(F)C45CC5)n3)nn2)CC1,HEESMOUOUGUZIA-UHFFFAOYSA-N
-rxn:3:40746:17724:134851,CCCn1nc(-c2cn(CC=Cc3c(F)cccc3C(=O)NC3CCCCC(c4ccccc4)C3)nn2)cc1C1CCCCC1,KWWBLRXRXLGWKS-UHFFFAOYSA-N
-rxn:3:40754:16782:109100,Cc1c(-c2cn(CC=Cc3ccc(C(=O)NCC4C(F)(F)C45CCCC5)c(F)c3)nn2)cnn1CCN(C)C,XXCDCSZZYODHBQ-UHFFFAOYSA-N
-rxn:3:40917:6403:148867,CN1CCN(c2ncc(-c3cn(CC=Cc4cnc(F)c(C(=O)Nc5cc6c(cc5CS(C)(=O)=O)OCCO6)c4)nn3)cn2)CC1,XJGVYURQQHXPKV-UHFFFAOYSA-N
-rxn:3:40919:16782:66798,Cc1c(-c2cn(CC=Cc3cc(C(=O)NCC4(F)CCOC4)c(F)cn3)nn2)cnn1CCN(C)C,MCVYDLPKAIAINN-UHFFFAOYSA-N
-rxn:3:40946:23143:85832,CCN1CC(c2cn(CC=Cc3cc(C)cnc3C(=O)NC(c3ccc(OC)c(C)c3)C3CC3)nn2)C1,PPRAZSDOPZVPLS-UHFFFAOYSA-N
-rxn:3:42681:15470:66152,CN(C)CCn1cc(-c2cn(CC#Cc3cccnc3C(=O)NC3CCC(F)(F)C3)nn2)c(C2CCC2)n1,XDBJFUINSSQNES-UHFFFAOYSA-N
-rxn:3:42681:17644:140611,CN(C)CCn1nc(-c2cn(CC#Cc3cccnc3C(=O)NC3CCCC(F)(F)C3)nn2)cc1C1CCCC1,FVDGLFCGIJGEEP-UHFFFAOYSA-N
-rxn:3:42681:17644:66152,CN(C)CCn1nc(-c2cn(CC#Cc3cccnc3C(=O)NC3CCC(F)(F)C3)nn2)cc1C1CCCC1,NJMADADZDDLOOK-UHFFFAOYSA-N
-rxn:3:42686:15470:107063,CN(C)CCn1cc(-c2cn(CC#Cc3ncccc3C(=O)NC3CCCC3(F)F)nn2)c(C2CCC2)n1,IJCSMVVHLLMJQC-UHFFFAOYSA-N
-rxn:3:42686:15470:66152,CN(C)CCn1cc(-c2cn(CC#Cc3ncccc3C(=O)NC3CCC(F)(F)C3)nn2)c(C2CCC2)n1,NHLKEGPWWJYBAX-UHFFFAOYSA-N
-rxn:3:42686:15470:74279,CN(C)CCn1cc(-c2cn(CC#Cc3ncccc3C(=O)NC3CC3(F)F)nn2)c(C2CCC2)n1,RZIBSPVOAWHWAI-UHFFFAOYSA-N
-rxn:3:42686:17644:140611,CN(C)CCn1nc(-c2cn(CC#Cc3ncccc3C(=O)NC3CCCC(F)(F)C3)nn2)cc1C1CCCC1,NZNZCCSGPUXQRI-UHFFFAOYSA-N
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-rxn:3:42686:17644:74279,CN(C)CCn1nc(-c2cn(CC#Cc3ncccc3C(=O)NC3CC3(F)F)nn2)cc1C1CCCC1,CFUFWISXWHNTLB-UHFFFAOYSA-N
-rxn:3:42686:17644:85069,CN(C)CCn1nc(-c2cn(CC#Cc3ncccc3C(=O)NC3CCC(F)(F)CC3)nn2)cc1C1CCCC1,DRNWACGJJOCQJU-UHFFFAOYSA-N
-rxn:3:42686:20535:102271,CCC(C)n1nc(C2CC2)cc1-c1cn(CC#Cc2ncccc2C(=O)N[C@H](c2ccc(C)c(OC)c2)C2CC2)nn1,CNDPXEXFXQLEEH-LKYSYNKGSA-N
-rxn:3:42686:39618:116611,CN1CCC(N(C)Cc2cn(CC#Cc3ncccc3C(=O)N[C@H]3CC3(F)F)nn2)CC1,KHVABFJOXOQRBF-FQEVSTJZSA-N
-rxn:3:42874:16799:112838,CCc1c(-c2cn(CC#Cc3cc(C(=O)Nc4ccc(OCC5CCCC5)c(C)c4)ccc3F)nn2)cnn1C1CC1,ALUIIGFBSGDRPY-UHFFFAOYSA-N
-rxn:3:42889:16799:112838,CCc1c(-c2cn(CC#Cc3ccc(F)cc3C(=O)Nc3ccc(OCC4CCCC4)c(C)c3)nn2)cnn1C1CC1,DCJQPHVDQMQUBG-UHFFFAOYSA-N
-rxn:3:43042:18953:74035,Cc1ccc(F)c(Cn2nccc2-c2cn(CC#Cc3cc(C(=O)Nc4ccc(OCCC5CCCCC5)c(C)c4)c(F)cn3)nn2)c1,UTINNOPPIGOFMT-UHFFFAOYSA-N
-rxn:3:43042:35963:114752,COCCC1(CNC(=O)c2cc(C#CCn3cc(-c4ccc(-c5ccc(F)cc5C)cn4)nn3)ncc2F)CCCOC1,GYIOTJOONBMXIK-UHFFFAOYSA-N
-rxn:3:43042:7075:105597,CCOC1(c2ccccc2)CCC(NC(=O)c2cc(C#CCn3cc(-c4cccnc4N4CCN(C)CC4)nn3)ncc2F)CC1,BYOXEWYYVZZRTC-UHFFFAOYSA-N
-rxn:3:43044:31724:141852,COc1cccc2c1OCC(NC(=O)c1ccnc(C#CCn3cc(-c4ccc(N5CCN(C)CC5)cc4)nn3)c1F)C2,XFAGVKXIJFDCAF-UHFFFAOYSA-N
-rxn:3:43044:6257:153284,CN1CCC(N(C)c2cc(-c3cn(CC#Cc4nccc(C(=O)NCCOc5cc(=O)oc6ccccc56)c4F)nn3)ncn2)CC1,MSOBEIBFVOAWBN-UHFFFAOYSA-N
-rxn:3:43044:7852:97185,CCc1ccc(NC(=O)c2ccnc(C#CCn3cc(C4(N(C)C)CCN(C)CC4)nn3)c2F)c2c1CCCC2,LKAYVRWPAZKWFJ-UHFFFAOYSA-N
-rxn:3:43163:6474:85818,Cc1ccc(NC(=O)Cc2ccc(F)c(C#CCn3cc(-c4cnn(C5CCC5)c4)nn3)c2)cc1OCC1CCCCC1,WOWGBGBYMUTMNH-UHFFFAOYSA-N
-rxn:3:43163:6495:74035,Cc1cc(NC(=O)Cc2ccc(F)c(C#CCn3cc(-c4cnn(C5CCCC5)c4)nn3)c2)ccc1OCCC1CCCCC1,ULIITJZXJDTAOO-UHFFFAOYSA-N
-rxn:3:43217:6137:85832,CCn1ncc(-c2cn(CC#Cc3ccc(OC)c(C(=O)NC(c4ccc(OC)c(C)c4)C4CC4)c3)nn2)c1C1CC1,WRGYFESHNDHTEX-UHFFFAOYSA-N
-rxn:3:43224:6137:121478,CCn1ncc(-c2cn(CC#Cc3ccc(C(=O)NC(c4ccc(C)c(OC)c4)C4CC4)cc3OC)nn2)c1C1CC1,YYNVJKJKAYHUTO-UHFFFAOYSA-N
-rxn:3:43509:15470:109100,CN(C)CCn1cc(-c2cn(Cc3ccc(C(=O)NCC4C(F)(F)C45CCCC5)o3)nn2)c(C2CCC2)n1,SFXYCFLWXZVPTR-UHFFFAOYSA-N
-rxn:3:43509:27942:73657,COCC1C(F)(F)C12CCC(NC(=O)c1ccc(Cn3cc(-c4cnccc4N(C)C)nn3)o1)CC2,YRIAIBDHFSRXPM-UHFFFAOYSA-N
-rxn:3:44706:16798:79561,CCc1c(-c2cn(CCC#Cc3ccc(C(=O)N[C@@H](CC4CC4)c4cccs4)cc3F)nn2)cnn1C1CCCC1,OVMMTQJGNNQRDL-NDEPHWFRSA-N
-rxn:3:49507:15470:86559,CN(C)CCn1cc(-c2cn(-c3ccccc3C#CC(=O)NC3C(F)(F)C34CC4)nn2)c(C2CCC2)n1,LGTXIQCXZOMRFM-UHFFFAOYSA-N
-rxn:3:49937:2259:66055,CCN1CCC(c2cn(CC3C(c4cn[nH]c4C(=O)NOc4ccc(OC)cc4OC)C3(F)F)nn2)CC1,KMZKOPGZFRZXFR-UHFFFAOYSA-N
-rxn:3:50434:6404:138877,CN1CCCN(c2ncc(-c3cn(CC4C(c5cc(C(=O)NC[C@H]6CC[C@H](S(C)(=O)=O)CC6)ccn5)C4(F)F)nn3)cn2)CC1,LDGGZZYVSKKWPX-IWYUNHEASA-N
-rxn:3:51049:39519:112795,CCN1CCN(Cc2cn(CC3C(c4ccc(C(=O)Nc5cc(C)cs5)cc4OC)C3(F)F)nn2)CC1,UPZJRGGVHQKKON-UHFFFAOYSA-N
-rxn:3:51062:6402:148867,COc1ccc(C(=O)Nc2cc3c(cc2CS(C)(=O)=O)OCCO3)c(C2C(Cn3cc(-c4cnc(N5CCCCCC5)nc4)nn3)C2(F)F)c1,FYFKPXMGBIJWLT-UHFFFAOYSA-N
-rxn:3:51071:29051:91653,CSc1ncc(C2C(Cn3cc(-c4cnc5c(c4)CCCN5C)nn3)C2(F)F)c(C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)n1,VECQXUBTPLLJCE-UHFFFAOYSA-N
-rxn:3:51873:16782:128859,Cc1c(-c2cn(CCC3CC3c3sccc3C(=O)NC3CC(F)(F)C3)nn2)cnn1CCN(C)C,UWGRCOUFIDGVPF-UHFFFAOYSA-N
-rxn:3:52491:6404:136635,CN1CCCN(c2ncc(-c3cn(CCC4CC4c4ccnc(C(=O)NC5COc6c5cccc6S(C)(=O)=O)c4)nn3)cn2)CC1,NWMRJJNELOUUAY-UHFFFAOYSA-N
-rxn:3:52727:6402:134554,O=C(Nc1cccc(S(=O)(=O)[O-])c1)c1c(F)cccc1C1CC1CCn1cc(-c2cnc(N3CCCCCC3)nc2)nn1,JCWPFZRUOGFAGZ-UHFFFAOYSA-M
-rxn:3:52731:6402:71225,COc1cc(NC(=O)c2ccc(F)cc2C2CC2CCn2cc(-c3cnc(N4CCCCCC4)nc3)nn2)ccc1S(=O)(=O)F,ZBZLTQZQIMGOQG-UHFFFAOYSA-N
-rxn:3:52731:6404:139373,COc1ccc(S(=O)(=O)F)cc1NC(=O)c1ccc(F)cc1C1CC1CCn1cc(-c2cnc(N3CCCN(C)CC3)nc2)nn1,BMGFUSWGOATXHQ-UHFFFAOYSA-N
-rxn:3:52848:6404:86306,COc1cc2cccc(NC(=O)c3cc(C4CC4CCn4cc(-c5cnc(N6CCCN(C)CC6)nc5)nn4)ncc3F)c2cc1OC,AIBSDFYRBABZAY-UHFFFAOYSA-N
-rxn:3:55594:16798:120827,CCc1c(-c2cn(CC3CC3c3ccc(C(=O)Nc4ccc(C)cc4S(=O)(=O)C4CCCC4)cc3)nn2)cnn1C1CCCC1,XPXMHVAUOYTLGX-UHFFFAOYSA-N
-rxn:3:55763:18721:105641,Cc1ccnc(-c2cn(CC3CC3c3cnc(C(=O)Nc4ccc(S(=O)(=O)OC5CCCC5)cc4)nc3)nn2)c1C1CC1,PCGOBBNJHMGBSR-UHFFFAOYSA-N
-rxn:3:55877:16782:130458,Cc1c(-c2cn(CC3CC3c3cncc(C(=O)NC4CC(F)(F)C45CCC5)c3)nn2)cnn1CCN(C)C,YPGBRTRYZMEYKL-UHFFFAOYSA-N
-rxn:3:55877:17644:140611,CN(C)CCn1nc(-c2cn(CC3CC3c3cncc(C(=O)NC4CCCC(F)(F)C4)c3)nn2)cc1C1CCCC1,JUAGSJWBCZCRPF-UHFFFAOYSA-N
-rxn:3:55877:17644:66152,CN(C)CCn1nc(-c2cn(CC3CC3c3cncc(C(=O)NC4CCC(F)(F)C4)c3)nn2)cc1C1CCCC1,JQPPHQVYJLIZIM-UHFFFAOYSA-N
-rxn:3:55877:17644:86559,CN(C)CCn1nc(-c2cn(CC3CC3c3cncc(C(=O)NC4C(F)(F)C45CC5)c3)nn2)cc1C1CCCC1,KYIDMOVHYYKQLN-UHFFFAOYSA-N
-rxn:3:55877:6404:81395,CN1CCCN(c2ncc(-c3cn(CC4CC4c4cncc(C(=O)NCC5(C)CS(=O)(=O)C5)c4)nn3)cn2)CC1,GQSKCCMZTVJQNK-UHFFFAOYSA-N
-rxn:3:55879:6136:91653,CCn1ncc(-c2cn(CC3CC3c3cccnc3C(=O)Nc3cccc(S(=O)(=O)C4CCOCC4)c3)nn2)c1C1CCC1,YOAOJVJTLTUVEW-UHFFFAOYSA-N
-rxn:3:55879:6403:112559,Cc1ccc(S(=O)(=O)C2CC2CNC(=O)c2ncccc2C2CC2Cn2cc(-c3cnc(N4CCN(C)CC4)nc3)nn2)cc1,YMGXYASGZPFSOR-UHFFFAOYSA-N
-rxn:3:55879:6404:110134,CN1CCCN(c2ncc(-c3cn(CC4CC4c4cccnc4C(=O)NCc4ccccc4S(C)(=O)=O)nn3)cn2)CC1,HTGBAVQRBYWKOC-UHFFFAOYSA-N
-rxn:3:55879:6404:139988,CN1CCCN(c2ncc(-c3cn(CC4CC4c4cccnc4C(=O)NC(c4cccc(S(C)(=O)=O)c4)C4CC4)nn3)cn2)CC1,JOXHDKQOWBKUMV-UHFFFAOYSA-N
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-rxn:1:41803:33297,CCCn1ncc(C=CCn2cc(-c3ccc(C(=O)N4CC=C(C(=O)OC)CC4)c(Cl)c3)nn2)c1C,FPAQLHPEIHDFNM-UHFFFAOYSA-N
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-rxn:1:59777:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)N5CCCC5)C4)nn3)c2C2CCCCC2)cc1,JUIUPIQEYBCLKV-UHFFFAOYSA-N
-rxn:1:59780:10097,Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,NXJHMGZQXGALHT-UHFFFAOYSA-N
-rxn:1:59780:10098,Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,ZONYBBNTVHZJHR-UHFFFAOYSA-N
-rxn:1:59780:10211,CCc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,WTQGOVACDWOYCR-UHFFFAOYSA-N
-rxn:1:59780:3954,Cc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,VZCKXYHZIKZIEO-UHFFFAOYSA-N
-rxn:1:59780:3965,CCc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,GROQHJQSDZEIBS-UHFFFAOYSA-N
-rxn:1:59784:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)c5ccc(C)cc5C)C4)nn3)c2C2CCC2)cc1,VCRXVDFWFOXHAD-UHFFFAOYSA-N
-rxn:1:59785:21318,Cc1cc(C)cc(S(=O)(=O)N2CCCC(n3cc(-c4cc(C5CCCCC5)nn4Cc4ccc(Br)c(C)c4)nn3)C2)c1,JZWXOWCREOMXEB-UHFFFAOYSA-N
-rxn:1:59785:21364,Cc1cc(Cl)cc(Cn2nc(C3CCCCC3)cc2-c2cn(C3CCCN(S(=O)(=O)c4cc(C)cc(C)c4)C3)nn2)c1,RVRRZWYWSHVRDP-UHFFFAOYSA-N
-rxn:1:59803:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(CC4CCCN4S(=O)(=O)N4CCCC4)nn3)c(C3CCCC3)n2)cc1,JXVGUQJXBYSMAS-UHFFFAOYSA-N
-rxn:1:59803:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CC4CCCN4S(=O)(=O)N4CCCC4)nn3)c2C2CCCCC2)cc1,KIJZJHUPAUNSHY-UHFFFAOYSA-N
-rxn:1:59895:9719,CCN1CCN(C(=O)Cn2cc(Cn3c(C4CC(=O)N(c5cc(Cl)ccc5OC)C4)nc4ccccc43)nn2)CC1,QRQJUFASPKKZFY-UHFFFAOYSA-N
-rxn:1:59895:9734,CCN1CCN(C(=O)Cn2cc(COc3ccc(C=C4C(=O)ON=C4C)cc3)nn2)CC1,ZOEKIWFVUVRXOD-UHFFFAOYSA-N
-rxn:1:59956:36438,CN1CCN(c2ccc(-c3ccc(F)cc3-c3cn(CC4CCN4C(=O)OC(C)(C)C)nn3)cn2)CC1,OIWNXYLEEBWGSX-UHFFFAOYSA-N
-rxn:1:60056:3218,CC(C)(C)OC(=O)N1CC=C(n2cc(CCN3CCN(c4ncnc5ccc(Br)cc45)CC3)nn2)CC1,BQLSXGFXCXDRDG-UHFFFAOYSA-N
-rxn:1:60056:5414,CC(C)(C)OC(=O)N1CC=C(n2cc(Cn3ccc4c3CCN=C4COc3ccc(Cl)cc3)nn2)CC1,WRPGSNVAGCNHAI-UHFFFAOYSA-N
-rxn:1:60066:21402,Cc1ccc(S(=O)(=O)N2CC3CC(n4cc(-c5cc(C6CCCCC6)nn5Cc5ccccc5C5CC5)nn4)(C3)C2)cc1,UDIXOCWBZWKJIA-UHFFFAOYSA-N
-rxn:1:60089:23663,CN(Cc1cn(CCn2ccn3nc(C4CCC4)cc23)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,JMXQGZBOJSHFPV-NFQMXDRXSA-N
-rxn:1:60287:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CC4CCCN4S(=O)(=O)c4cn(C)cn4)nn3)c2C2CCCCC2)cc1,HEQHQJMXIJEBEW-UHFFFAOYSA-N
-rxn:1:60288:12974,CCn1cc(S(=O)(=O)N2CCCC(n3cc(-c4cccc(C(=O)OC5CCN(c6ncc(Br)cn6)CC5)c4)nn3)C2)nc1C,NDRMOKJCPOJTOL-UHFFFAOYSA-N
-rxn:1:60301:35679,COc1ncc(C(=O)Nc2ccc(-c3cn(CC4CCCN4S(=O)(=O)C4CCCCC4)nn3)nc2)cc1F,OMZTZJGXWHKBFY-UHFFFAOYSA-N
-rxn:1:60304:10449,CCc1sc2ncnc(SCc3cn(C4CCCN(S(=O)(=O)N5CCOCC5)C4)nn3)c2c1-c1ccc(Br)cc1,JCIZUMUKCTXVEL-UHFFFAOYSA-N
-rxn:1:60305:17243,Cc1cc(F)ccc1S(=O)(=O)N1CCCC1Cn1cc(-c2ccc(-n3nc(C=NO)cc3C3CCCCC3)cc2)nn1,OMAANRTUIAZUPA-UHFFFAOYSA-N
-rxn:1:60309:8005,COc1ccc(C(=O)N2CCC(n3cc(C(=O)N4CCN(Cc5nc6ccccc6c(=O)[nH]5)CC4)nn3)CC2)cn1,QXNGHYLNIQBTOF-UHFFFAOYSA-N
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-rxn:1:60310:3954,Cc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(CC2CCCN2S(=O)(=O)N2CCCCCC2)nn1,QALBXVAQFYHJFZ-UHFFFAOYSA-N
-rxn:1:60314:16145,CCOc1ncccc1C(=O)N1CCC(n2cc(-c3cn(-c4ccc(OC)c(Cl)c4)nc3CC3CCCC3)nn2)CC1,JCTDXXIMIGWGRQ-UHFFFAOYSA-N
-rxn:1:60314:16760,CCOc1ncccc1C(=O)N1CCC(n2cc(-c3cnn(-c4ccc(OC)c(Cl)c4)c3C3CCCCC3)nn2)CC1,WBYSOMJWEKGWBV-UHFFFAOYSA-N
-rxn:1:60314:22221,CCOc1ncccc1C(=O)N1CCC(n2cc(-c3cc(C4CCCC4)nn3Cc3ccc(Cl)c(OC)c3)nn2)CC1,BQQSPLYJQJPZRO-UHFFFAOYSA-N
-rxn:1:60314:25379,CCOc1ncccc1C(=O)N1CCC(n2cc(C3CC(=O)N(c4ncc(Br)cc4OC)C3)nn2)CC1,KAHYDUVXJXNSMX-UHFFFAOYSA-N
-rxn:1:60315:16145,CCOc1ccc(C(=O)N2CCC(n3cc(-c4cn(-c5ccc(OC)c(Cl)c5)nc4CC4CCCC4)nn3)CC2)cn1,LWBLALBZYYKRLZ-UHFFFAOYSA-N
-rxn:1:60315:16760,CCOc1ccc(C(=O)N2CCC(n3cc(-c4cnn(-c5ccc(OC)c(Cl)c5)c4C4CCCCC4)nn3)CC2)cn1,QQAHFQVLIKNLLN-UHFFFAOYSA-N
-rxn:1:60452:38297,O=S(=O)(O)c1ccc2oc(C(F)(F)c3cccc(-n4cc(CN5CCNCCNCCNCC5)nn4)c3)nc2c1,LHUQYAZBKAFMTC-UHFFFAOYSA-N
-rxn:1:60646:16760,COc1ccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)c5ccc6c(c5)OCO6)C4)nn3)c2C2CCCCC2)cc1Cl,YQSCHLSMGSLPDF-UHFFFAOYSA-N
-rxn:1:60652:15494,COC(=O)Cn1cc(-c2cn(C3CCN(S(=O)(=O)Cc4ccccc4F)C3)nn2)c(C2CCCC2)n1,NYCNXTKJZFPLQV-UHFFFAOYSA-N
-rxn:1:60658:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c2C2CCCCC2)cc1,ZYAGTRUPYURMGU-UHFFFAOYSA-N
-rxn:1:60658:3965,CCc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)C2)nn1,QEHOCSFAPHVFCV-UHFFFAOYSA-N
-rxn:1:60658:4507,Nc1ccn(CC(=O)Nc2cccc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c2)n1,CQHKFYAZAAHMMB-UHFFFAOYSA-N
-rxn:1:60895:12770,COC1CN(C(=O)Cn2cc(-c3cccc(C(=O)N4CCN(c5ncccn5)CC4)c3)nn2)CC1OC,IIEKYCAPGWSJIO-UHFFFAOYSA-N
-rxn:1:60895:12785,COC1CN(C(=O)Cn2cc(-c3ccc(C(=O)N4CCN(c5cnccn5)CC4)cc3)nn2)CC1OC,LTHBFTDPHRGJGI-UHFFFAOYSA-N
-rxn:1:60895:12800,COC1CN(C(=O)Cn2cc(-c3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc3)nn2)CC1OC,OODYHWRYZMDPER-UHFFFAOYSA-N
-rxn:1:60895:13515,COC1CN(C(=O)Cn2cc(-c3cccc(C(=O)N4CCN(c5cnccn5)CC4)c3)nn2)CC1OC,HOBPPJOERYCJAD-UHFFFAOYSA-N
-rxn:1:60939:9664,COc1ccc2c(c1)C(=CC(=O)Nc1cccc(-c3cn(CCN4CCC(O)(C(F)(F)F)C4)nn3)c1)CC2,WEVMWYGMVCANCV-UHFFFAOYSA-N
-rxn:1:61135:12974,CC(C)(C)C(=O)N1CC(n2cc(-c3cccc(C(=O)OC4CCN(c5ncc(Br)cn5)CC4)c3)nn2)C1,GVWICQORUCUYDU-UHFFFAOYSA-N
-rxn:1:61181:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CN(C(=O)C5CC=CCC5)C4)nn3)c2C2CCC2)cc1,KIJLAIMDHNUHBV-UHFFFAOYSA-N
-rxn:1:61248:35512,CCN1CCCN(C(=O)c2ccc(-c3cn(C4CN(C(=O)c5ccnc(OC)c5)C4)nn3)cc2Cl)CC1,CPOUAMJICHVMQV-UHFFFAOYSA-N
-rxn:1:61284:8114,COc1ccc(Br)cc1CN1CC(n2cc(C(=O)N3CCCC(c4nc(N5CCCC5)ncc4-c4cccnc4)C3)nn2)C1,HHLUTRFOLMKMSA-UHFFFAOYSA-N
-rxn:1:61453:9374,O=C(c1ccc(Cn2cc(CN3CCN(S(=O)(=O)c4ccc5[nH]c(=O)oc5c4)CC3)nn2)s1)N1CCCCC1,OHZOLCYYPHEWKR-UHFFFAOYSA-N
-rxn:1:61474:29386,CCN1CCN(C(=O)c2ccccc2-c2cn(Cc3ccc(C(=O)N4CCCN(C)CC4)s3)nn2)CC1,OCSHVZXNOPWDKO-UHFFFAOYSA-N
-rxn:1:61482:21292,COc1cc(Cn2nc(C3CCCCC3)cc2-c2cn(Cc3ccc(C(=O)N4CCS(=O)(=O)CC4)s3)nn2)ccc1O,MDCLENGKLPKZEI-UHFFFAOYSA-N
-rxn:1:61493:11205,CCN1CCN(C(=O)c2ccc(Cn3cc(COc4ccc(S(=O)(=O)N5CCOCC5)cc4)nn3)s2)CC1,VGHTUMIPMCSZGI-UHFFFAOYSA-N
-rxn:1:61493:25216,CCN1CCN(C(=O)c2ccc(Cn3cc(C4CC(=O)N(c5cnc(Br)cc5C(=O)OC)C4)nn3)s2)CC1,FPRIMEPFSHHSRR-UHFFFAOYSA-N
-rxn:1:61493:25264,CCN1CCN(C(=O)c2ccc(Cn3cc(C4CC(=O)N(c5cc(Br)cnc5OC)C4)nn3)s2)CC1,IRVILBVCEGYSDN-UHFFFAOYSA-N
-rxn:1:61493:25336,CCN1CCN(C(=O)c2ccc(Cn3cc(C4CC(=O)N(c5cc(F)ccc5OC)C4)nn3)s2)CC1,JGUPECDSRJORLA-UHFFFAOYSA-N
-rxn:1:61493:25379,CCN1CCN(C(=O)c2ccc(Cn3cc(C4CC(=O)N(c5ncc(Br)cc5OC)C4)nn3)s2)CC1,VKRMTWBKSXOJOW-UHFFFAOYSA-N
-rxn:1:61493:34468,CCN1CCN(C(=O)c2ccc(Cn3cc(CN4CCN(S(=O)(=O)c5cc(C)ccc5OC)CC4)nn3)s2)CC1,ZLOIMMLDMQOZIG-UHFFFAOYSA-N
-rxn:1:61538:31599,CC(C)(C)OC(=O)N1CCc2cc(-c3cn(CC(=O)N4CCN(c5ccc(F)cc5)CC4)nn3)cnc2C1,GYKTYOKSNNQDJT-UHFFFAOYSA-N
-rxn:1:61538:31615,CC(C)(C)OC(=O)N1CCc2ccc(-c3cn(CC(=O)N4CCN(c5ccc(F)cc5)CC4)nn3)cc2C1,CMOHRDSBSXNXFV-UHFFFAOYSA-N
-rxn:1:61550:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(Cc4cc(OS(=O)(=O)F)cc(C(=O)O)c4)nn3)c2)CC1,MZDNCKFGJDRFMH-UHFFFAOYSA-N
-rxn:1:61550:5035,Cc1ccc(OCc2cn(Cc3cc(OS(=O)(=O)F)cc(C(=O)O)c3)nn2)c(CN2CCCNCC2)c1,SPWLZMLXGXRMHM-UHFFFAOYSA-N
-rxn:1:61550:5252,CCN1CCCC(C(C)Nc2cccc(-c3cn(Cc4cc(OS(=O)(=O)F)cc(C(=O)O)c4)nn3)c2)C1,MMONJJSFMKUCNO-UHFFFAOYSA-N
-rxn:1:6193:43067,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn(CC#Cc4cccc([N+](=O)[O-])c4F)nn3)ncn2)CC1,HILYBXQCGJXREW-UHFFFAOYSA-N
-rxn:1:6193:59169,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn(S(=O)(=O)c4ccc5c(c4)CCCC5)nn3)ncn2)CC1,UOFITQTUCKBEGV-UHFFFAOYSA-N
-rxn:1:6199:59169,CC(C)(C)OC(=O)N1CCCN(c2cc(-c3cn(S(=O)(=O)c4ccc5c(c4)CCCC5)nn3)ncn2)CC1,CVNYKSOICXGJNL-UHFFFAOYSA-N
-rxn:1:6199:65590,CC(C)(C)OC(=O)N1CCCN(c2cc(-c3cn(S(=O)(=O)c4ccc5c(c4)CCO5)nn3)ncn2)CC1,NLXBFWWXEZUHMX-UHFFFAOYSA-N
-rxn:1:62152:8071,COc1ccc2cc(Br)ccc2c1Cn1cc(C(=O)N2CCCC(c3ncc(C(=O)N4CCCC4)c(C)n3)C2)nn1,IMZZLCLCAQULND-UHFFFAOYSA-N
-rxn:1:62297:14728,CCN(CC)C(=O)c1cc(F)cc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1,BCQDEXWAQFIAIO-UHFFFAOYSA-N
-rxn:1:62297:24288,CC(C)COc1c(F)cc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)cc1Br,SRSBPXHQQFKVHD-UHFFFAOYSA-N
-rxn:1:62297:28794,N#CC1C(c2cccc(-c3cn(C4CC(n5ccc(=O)[nH]c5=O)OC4COP(=O)(O)O)nn3)c2)C1(F)F,ILVUCFCDKSSIOG-UHFFFAOYSA-N
-rxn:1:62297:4534,CCNC(Cc1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1)c1cc(F)cc(F)c1,HZMBPLHPZBSYDF-UHFFFAOYSA-N
-rxn:1:62297:5750,CC(C)CC(Oc1ccccc1Cl)c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,OEAZGLHNIBMUBZ-UHFFFAOYSA-N
-rxn:1:63081:36841,COC(=O)c1ccc(-c2cccc(-c3cn(CC4CC(=O)N(c5ccc(N6CCN(C)CC6)cn5)C4)nn3)c2)c(OC)c1,VGOBDUWCCVPHFU-UHFFFAOYSA-N
-rxn:1:63119:13693,COC(=O)c1ncc(Br)cc1N1CC(Cn2cc(-c3ccc(C(=O)Nc4ncc(Br)nc4N4CCCC4)cc3)nn2)CC1=O,NPHJKOTYUFEYFM-UHFFFAOYSA-N
-rxn:1:63120:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5cccc(Cl)c5C(=O)OC)C4)nn3)cn2)CC1,ITQWQHYFKJQBFG-UHFFFAOYSA-N
-rxn:1:63130:36438,COC(=O)c1cc(O)ccc1N1CC(Cn2cc(-c3cc(F)ccc3-c3ccc(N4CCN(C)CC4)nc3)nn2)CC1=O,WZVLQJYGCOTQCH-UHFFFAOYSA-N
-rxn:1:63147:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5c(Cl)cc(C(=O)OC)cc5Br)C4)nn3)cn2)CC1,GEAMPMVJAGARPA-UHFFFAOYSA-N
-rxn:1:63152:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5ccc(C(=O)OC)c(Br)c5)C4)nn3)cn2)CC1,UULYSMZPYPNGQQ-UHFFFAOYSA-N
-rxn:1:63153:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5ccc(C(=O)OC)c(Cl)c5)C4)nn3)cn2)CC1,UMHUQQPPACEGIM-UHFFFAOYSA-N
-rxn:1:63154:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5ccc(C(=O)OC)c(F)c5)C4)nn3)cn2)CC1,FYHTZIMXEGDKCI-UHFFFAOYSA-N
-rxn:1:63161:13693,COC(=O)c1ccnc(Cl)c1N1CC(Cn2cc(-c3ccc(C(=O)Nc4ncc(Br)nc4N4CCCC4)cc3)nn2)CC1=O,DIBWRWZHLGKDGN-UHFFFAOYSA-N
-rxn:1:63162:13693,COC(=O)c1cnccc1N1CC(Cn2cc(-c3ccc(C(=O)Nc4ncc(Br)nc4N4CCCC4)cc3)nn2)CC1=O,MGABISYUDRQJPK-UHFFFAOYSA-N
-rxn:1:63167:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5ncc(Cl)nc5C(=O)OC)C4)nn3)cn2)CC1,KPDOVSOASUNYEV-UHFFFAOYSA-N
-rxn:1:63168:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5ncc(I)nc5C(=O)OC)C4)nn3)cn2)CC1,ZVKOXICGCQSEAZ-UHFFFAOYSA-N
-rxn:1:63173:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5ncc(C(=O)OC)cc5Br)C4)nn3)cn2)CC1,PIRVJQUDVUYNSV-UHFFFAOYSA-N
-rxn:1:63183:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5c(Br)cccc5C(=O)OC)C4)nn3)cn2)CC1,JBHQLIZYCVMQGS-UHFFFAOYSA-N
-rxn:1:63184:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5c(Cl)cccc5C(=O)OC)C4)nn3)cn2)CC1,FCBBOUHFJMBJNZ-UHFFFAOYSA-N
-rxn:1:63185:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CC(=O)N(c5c(F)cccc5C(=O)OC)C4)nn3)cn2)CC1,IDTPITNZUREFTK-UHFFFAOYSA-N
-rxn:1:63197:29386,CCN1CCN(C(=O)c2ccccc2-c2cn(CC3CC(=O)N(c4c[nH]nc4C(=O)OC)C3)nn2)CC1,ULBWFOPRKHLQTG-UHFFFAOYSA-N
-rxn:1:63201:13693,COC(=O)c1ncccc1N1CC(Cn2cc(-c3ccc(C(=O)Nc4ncc(Br)nc4N4CCCC4)cc3)nn2)CC1=O,JXAYMRAFICUEBE-UHFFFAOYSA-N
-rxn:1:63214:12969,COc1cc(F)c(F)cc1N1CC(Cn2cc(-c3cccc(C(=O)OC4CCN(c5ncccn5)CC4)c3)nn2)CC1=O,KVRFANUVDKWTJZ-UHFFFAOYSA-N
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-rxn:3:2850:62824:86559,CN(C)c1ncccc1-c1cn(CC2CC(=O)N([C@@H](C(=O)NC3C(F)(F)C34CC4)C3=CCC=CC3)C2)nn1,BJMHLUGTTGLYHT-ONWYWGCKSA-N
-rxn:3:31339:59852:112497,CCS(=O)(=O)Cc1ccsc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ncc5n4CCCC5)nn3)C2)CCO1,QOGNIPWOBXHREH-MRBOTJLVSA-N
-rxn:3:31490:59852:65938,CC(C)c1cccc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5COCCS(=O)(=O)C5)C4)C3)nn2)n1,MSOQBVJAIZWYFJ-OLJONYEBSA-N
-rxn:3:31795:59852:120574,N#Cc1ncc(F)cc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NC45CCCC4CS(=O)(=O)C5)C3)C2)nn1,PRHPMUQNRUFRLW-WHYHNQPCSA-N
-rxn:3:31795:62824:103053,N#Cc1ncc(F)cc1-c1cn(CC2CC(=O)N([C@@H](C(=O)NC3CC[C@@H]4CC[C@H]34)C3=CCC=CC3)C2)nn1,DLAJCAZYOLCYCE-YSVHWDPNSA-N
-rxn:3:31795:62824:82029,N#Cc1ncc(F)cc1-c1cn(CC2CC(=O)N([C@@H](C(=O)NC3CCC[C@@H]4C[C@H]34)C3=CCC=CC3)C2)nn1,POPIDYDNUVBXGM-XPHLQSEGSA-N
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-rxn:3:37650:59852:85563,CC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(CCSc5ncc6nccnc6n5)nn4)C3)CCO2)CCS(=O)(=O)CC1,QZAJJDCOQDGNLC-FKHRANHKSA-N
-rxn:3:38787:59852:137368,N#Cc1cc(F)cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CC(F)C5)C4)C3)nn2)c1,HHDPUIXZTKGIDC-VEMXHAHXSA-N
-rxn:3:38787:59852:65938,N#Cc1cc(F)cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5COCCS(=O)(=O)C5)C4)C3)nn2)c1,OAOBGUHIGZBNJY-BQHZJHKPSA-N
-rxn:3:3882:60580:89878,C=CC[C@@H](C(=O)N[C@H]1CC[C@H](OCCC(C)C)CC1)n1cc(-c2cnc3c(ccn3C)c2)nn1,VODSVWILLADCKS-FIXSFTCYSA-N
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-rxn:3:40005:16782:140611,Cc1c(-c2cn(CC=Cc3sccc3C(=O)NC3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,BAYNRTCHPAJQKT-UHFFFAOYSA-N
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-rxn:3:40558:16782:130458,Cc1c(-c2cn(CC=Cc3cc(C(=O)NC4CC(F)(F)C45CCC5)ccn3)nn2)cnn1CCN(C)C,PSQDCFPSUUMADT-UHFFFAOYSA-N
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-rxn:3:40558:16806:86559,CCc1c(-c2cn(CC=Cc3cc(C(=O)NC4C(F)(F)C45CC5)ccn3)nn2)cnn1CCN(C)C,QAHDOMRPYFMKKO-UHFFFAOYSA-N
-rxn:3:40558:17876:101562,CC1(CNC(=O)c2ccnc(C=CCn3cc(-c4nccn4C4CCCC4)nn3)c2)CS(=O)(=O)CCO1,ZORLITBYZPIVAN-UHFFFAOYSA-N
-rxn:3:40558:23873:139274,CN1CCC[C@H]1c1cncc(-c2cn(CC=Cc3cc(C(=O)N[C@@H]4CC[C@H](CS(=O)(=O)F)C4)ccn3)nn2)c1,SOJOCZOFIVVUSA-LNXUECGXSA-N
-rxn:3:40558:24161:86559,CN(C)C1CCC(c2cn(CC=Cc3cc(C(=O)NC4C(F)(F)C45CC5)ccn3)nn2)CC1,KJWSHNVFIMFXFA-UHFFFAOYSA-N
-rxn:3:40558:5474:67474,CCC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCn3cc(-c4cnc(N(C)C)nc4)nn3)c1)CC2,GWOFUVZFYOBDFE-UHFFFAOYSA-N
-rxn:3:40558:6382:67474,CCC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCn3cc(-c4nccc(N(C)C)n4)nn3)c1)CC2,MKEVVAQXUAAVDT-UHFFFAOYSA-N
-rxn:3:40558:709:114752,CC=Cc1cn(CC=Cc2cc(C(=O)NCC3(CCOC)CCCOC3)ccn2)nn1,AXTPMZGWFWDIMW-UHFFFAOYSA-N
-rxn:3:40560:16782:130458,Cc1c(-c2cn(CC=Cc3ccc(C(=O)NC4CC(F)(F)C45CCC5)cn3)nn2)cnn1CCN(C)C,UYPIMXSEVZTDJL-UHFFFAOYSA-N
-rxn:3:40560:16782:77856,Cc1c(-c2cn(CC=Cc3ccc(C(=O)N[C@H]4CCCC(F)(F)C4)cn3)nn2)cnn1CCN(C)C,DIYRIXLTJBPOJD-NRFANRHFSA-N
-rxn:3:40560:16782:83031,Cc1c(-c2cn(CC=Cc3ccc(C(=O)NC4C(F)(F)C45CCC5)cn3)nn2)cnn1CCN(C)C,NZMXHEZBNROMMC-UHFFFAOYSA-N
-rxn:3:40560:16806:77856,CCc1c(-c2cn(CC=Cc3ccc(C(=O)N[C@H]4CCCC(F)(F)C4)cn3)nn2)cnn1CCN(C)C,BITJDUKVVHVUAE-NRFANRHFSA-N
-rxn:3:40560:16806:83031,CCc1c(-c2cn(CC=Cc3ccc(C(=O)NC4C(F)(F)C45CCC5)cn3)nn2)cnn1CCN(C)C,GXUFAKOIHAJPFR-UHFFFAOYSA-N
-rxn:3:40560:16806:86559,CCc1c(-c2cn(CC=Cc3ccc(C(=O)NC4C(F)(F)C45CC5)cn3)nn2)cnn1CCN(C)C,KIRRBEZBFPUODM-UHFFFAOYSA-N
-rxn:3:40560:5864:123002,CN(C)c1ccnc2ccc(-c3cn(CC=Cc4ccc(C(=O)NC5CC6(C5)C(F)(F)C65CCC5)cn4)nn3)cc12,IKICHPXNZJDTGN-UHFFFAOYSA-N
-rxn:3:40561:39595:77949,O=C(NC1CCC(S(=O)(=O)c2ccccc2)CC1)c1cccnc1C=CCn1cc(C2CN(Cc3ccccc3)C2)nn1,WNIVEECPMTZCLA-UHFFFAOYSA-N
-rxn:3:40561:6404:83712,CN1CCCN(c2ncc(-c3cn(CC=Cc4ncccc4C(=O)N[C@H]4COc5c4cccc5S(C)(=O)=O)nn3)cn2)CC1,KZKLEJFKIHZLLK-SANMLTNESA-N
-rxn:3:40562:6403:139988,CN1CCN(c2ncc(-c3cn(CC=Cc4ccnc(C(=O)NC(c5cccc(S(C)(=O)=O)c5)C5CC5)c4)nn3)cn2)CC1,DZMWABMMRCCBNF-UHFFFAOYSA-N
-rxn:3:40754:16782:86559,Cc1c(-c2cn(CC=Cc3ccc(C(=O)NC4C(F)(F)C45CC5)c(F)c3)nn2)cnn1CCN(C)C,GASZYDKXKSLLRW-UHFFFAOYSA-N
-rxn:3:40754:5474:120859,CC1C(F)(F)C12CCC(NC(=O)c1ccc(C=CCn3cc(-c4cnc(N(C)C)nc4)nn3)cc1F)CC2,AHVXIERQGQQHNG-UHFFFAOYSA-N
-rxn:3:40754:5474:73657,COCC1C(F)(F)C12CCC(NC(=O)c1ccc(C=CCn3cc(-c4cnc(N(C)C)nc4)nn3)cc1F)CC2,XSLYZPYTKGYGLA-UHFFFAOYSA-N
-rxn:3:40754:6138:127163,CCn1ncc(-c2cn(CC=Cc3ccc(C(=O)N[C@H]4CC[C@H](OC)CC4)c(F)c3)nn2)c1C(C)C,SFWYOOXWBZGGLS-MEMLXQNLSA-N
-rxn:3:40754:6382:67474,CCC1C(F)(F)C12CCC(NC(=O)c1ccc(C=CCn3cc(-c4nccc(N(C)C)n4)nn3)cc1F)CC2,WYUUMQBLQZXBQO-UHFFFAOYSA-N
-rxn:3:40754:6382:73657,COCC1C(F)(F)C12CCC(NC(=O)c1ccc(C=CCn3cc(-c4nccc(N(C)C)n4)nn3)cc1F)CC2,IUMOQGYOBJWJAN-UHFFFAOYSA-N
-rxn:3:40754:6403:104152,CN1CCN(c2ncc(-c3cn(CC=Cc4ccc(C(=O)N[C@H]5C[C@H](C6CCCC6)C5)c(F)c4)nn3)cn2)CC1,AOTNHGXTDHKYKH-ALOJWSFFSA-N
-rxn:3:40754:6449:113889,C=CCCn1cc(-c2cn(CC=Cc3ccc(C(=O)N[C@@H]4CCC[C@H](C5CC5)C4)c(F)c3)nn2)cn1,YXXFVVOGLXFXCG-LADGPHEKSA-N
-rxn:3:40754:6449:91267,C=CCCn1cc(-c2cn(CC=Cc3ccc(C(=O)N[C@@H]4C[C@H]4C4CCCCC4)c(F)c3)nn2)cn1,VFYUXCWFZJTOGK-AZGAKELHSA-N
-rxn:3:40795:28386:73796,CC1=CC(C)C(c2cn(CC=Cc3cc(C)ccc3C(=O)N[C@H](CCC(C)C)c3cccc(C)c3)nn2)CC1,IETUFKSTYFLLLH-TXKQGMEVSA-N
-rxn:3:40856:16806:86559,CCc1c(-c2cn(C3(C(=O)NC4C(F)(F)C45CC5)CC3)nn2)cnn1CCN(C)C,KDASNDCLLDDFGC-UHFFFAOYSA-N
-rxn:3:40919:1251:67474,CCC1C(F)(F)C12CCC(NC(=O)c1cc(C=CCn3cc(-c4ccc(N(C)C)nc4)nn3)ncc1F)CC2,CXAQNORBRAYTTB-UHFFFAOYSA-N
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-rxn:3:40919:5474:108806,CN(C)c1ncc(-c2cn(CC=Cc3cc(C(=O)NCC4CCC5(CCS(=O)(=O)CC5)O4)c(F)cn3)nn2)cn1,IIFYRMCLJFTTFR-UHFFFAOYSA-N
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-rxn:3:40919:6449:104152,C=CCCn1cc(-c2cn(CC=Cc3cc(C(=O)N[C@H]4C[C@H](C5CCCC5)C4)c(F)cn3)nn2)cn1,QVTVTDIMKKMPQF-JKIUYZKVSA-N
-rxn:3:40919:6449:113048,C=CCCn1cc(-c2cn(CC=Cc3cc(C(=O)NCC4CCOC45CCS(=O)(=O)CC5)c(F)cn3)nn2)cn1,WCSGPHWAXRTGGK-UHFFFAOYSA-N
-rxn:3:40919:6449:124034,C=CCCn1cc(-c2cn(CC=Cc3cc(C(=O)N[C@@H]4CCCC[C@H](OC)C4)c(F)cn3)nn2)cn1,WAVHADMFJSHIOZ-YADHBBJMSA-N
-rxn:3:40920:1251:113048,CN(C)c1ccc(-c2cn(CC=Cc3nccc(C(=O)NCC4CCOC45CCS(=O)(=O)CC5)c3F)nn2)cn1,YGLZETOYPRBSJM-UHFFFAOYSA-N
-rxn:3:40920:1251:120859,CC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCn3cc(-c4ccc(N(C)C)nc4)nn3)c1F)CC2,AKQKDYRGMWQIQF-UHFFFAOYSA-N
-rxn:3:40920:16782:104152,Cc1c(-c2cn(CC=Cc3nccc(C(=O)N[C@H]4C[C@H](C5CCCC5)C4)c3F)nn2)cnn1CCN(C)C,UDQIXYOYNCPGSC-HZCBDIJESA-N
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-rxn:3:40920:5474:108806,CN(C)c1ncc(-c2cn(CC=Cc3nccc(C(=O)NCC4CCC5(CCS(=O)(=O)CC5)O4)c3F)nn2)cn1,YDMFNVNALGZOBM-UHFFFAOYSA-N
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-rxn:3:40920:6138:127163,CCn1ncc(-c2cn(CC=Cc3nccc(C(=O)N[C@H]4CC[C@H](OC)CC4)c3F)nn2)c1C(C)C,BYJRPDFHOGIMPS-WGSAOQKQSA-N
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-rxn:3:40920:6449:113889,C=CCCn1cc(-c2cn(CC=Cc3nccc(C(=O)N[C@@H]4CCC[C@H](C5CC5)C4)c3F)nn2)cn1,WUJAJKQGRMQMRG-RBBKRZOGSA-N
-rxn:3:40920:6449:91267,C=CCCn1cc(-c2cn(CC=Cc3nccc(C(=O)N[C@@H]4C[C@H]4C4CCCCC4)c3F)nn2)cn1,AWJNBNGLJJKBSP-LADGPHEKSA-N
-rxn:3:40920:709:114752,CC=Cc1cn(CC=Cc2nccc(C(=O)NCC3(CCOC)CCCOC3)c2F)nn1,ZUUQEYCOLBIGQE-UHFFFAOYSA-N
-rxn:3:41093:28567:107323,COc1ccc(C=CCn2cc(-c3cncc(CN4CCCC4)c3)nn2)cc1C(=O)NC1CCCc2cccc(OC)c21,IPHQIXCKPONGRV-UHFFFAOYSA-N
-rxn:3:41093:6138:130458,CCn1ncc(-c2cn(CC=Cc3ccc(OC)c(C(=O)NC4CC(F)(F)C45CCC5)c3)nn2)c1C(C)C,YGBVZMXSOBJTBV-UHFFFAOYSA-N
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-rxn:3:41093:6138:94773,CCn1ncc(-c2cn(CC=Cc3ccc(OC)c(C(=O)N[C@H]4C[C@@]5(CCC5(F)F)C4)c3)nn2)c1C(C)C,NASPUKRXNSCGPS-DXKIZBQOSA-N
-rxn:3:41093:6392:67474,CCC1C(F)(F)C12CCC(NC(=O)c1cc(C=CCn3cc(-c4nccn5nccc45)nn3)ccc1OC)CC2,DUCZJJWKDJPVGW-UHFFFAOYSA-N
-rxn:3:41093:6392:73657,COCC1C(F)(F)C12CCC(NC(=O)c1cc(C=CCn3cc(-c4nccn5nccc45)nn3)ccc1OC)CC2,VQAOOPKQQLTBSL-UHFFFAOYSA-N
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-rxn:3:417:59852:81931,CC1CC(Cn2cc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCc6ccc(S(=O)(=O)F)s6)C5)C4)nn3)cn2)C1,YLDVUHUISHHBIS-CDJKPAKLSA-N
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-rxn:3:42681:16806:86559,CCc1c(-c2cn(CC#Cc3cccnc3C(=O)NC3C(F)(F)C34CC4)nn2)cnn1CCN(C)C,APOUZLWFGSBCBC-UHFFFAOYSA-N
-rxn:3:42686:16806:77856,CCc1c(-c2cn(CC#Cc3ncccc3C(=O)N[C@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,QOFKZIQEUDAHBG-IBGZPJMESA-N
-rxn:3:42686:16806:86559,CCc1c(-c2cn(CC#Cc3ncccc3C(=O)NC3C(F)(F)C34CC4)nn2)cnn1CCN(C)C,WWCUCRYJJQVDRC-UHFFFAOYSA-N
-rxn:3:42686:2259:71433,CCN1CCC(c2cn(CC#Cc3ncccc3C(=O)N[C@H](CC3CC3)c3ccc(OC)c(C)c3)nn2)CC1,UKJQVZJCDYEOEM-MUUNZHRXSA-N
-rxn:3:42688:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3ccnc(C(=O)NC(c4ccc(OC)cc4)C4CC4)c3)nn2)C1,IFLOLVPPIQBIRZ-OPMJYIBYSA-N
-rxn:3:43044:7075:90515,CN1CCN(c2ncccc2-c2cn(CC#Cc3nccc(C(=O)N[C@H]4CC[C@@H](CS(=O)(=O)F)CC4)c3F)nn2)CC1,QIXHMHGWVOEKBB-OYRHEFFESA-N
-rxn:3:43231:6450:100428,C=C(C)Cn1cc(-c2cn(CC#Cc3cc(OC)cc(C(=O)NC[C@@H]4CCC[C@H](c5ccc(OC)cc5)O4)c3)nn2)cn1,UHRQCSXYMLUSQP-BHDXBOSCSA-N
-rxn:3:43417:1911:86559,C=CCN(C)Cc1cn(C2C=CCC(C(=O)NC3C(F)(F)C34CC4)C2)nn1,RXIQJRUFIBKBHB-UHFFFAOYSA-N
-rxn:3:4418:60078:83031,CN(CCC#N)Cc1cn(CCn2ccn3nc(C(=O)NC4C(F)(F)C45CCC5)cc23)nn1,FSJXJGQOMIGXGT-UHFFFAOYSA-N
-rxn:3:4418:60078:86461,CN(CCC#N)Cc1cn(CCn2ccn3nc(C(=O)NC4CCC45CC(F)(F)C5)cc23)nn1,CQKALXMSIBAYFG-UHFFFAOYSA-N
-rxn:3:44518:2259:80858,CCN1CCC(c2cn(CCC#Cc3ncccc3C(=O)N[C@@H](CC3CC3)c3cccc(OC)c3)nn2)CC1,KWLZUPMLBSSFMK-LJAQVGFWSA-N
-rxn:3:45142:1251:73657,COCC1C(F)(F)C12CCC(NC(=O)COc1ccc(-n3cc(-c4ccc(N(C)C)nc4)nn3)cc1)CC2,RZJXVHZVTNGWEY-UHFFFAOYSA-N
-rxn:3:45142:5474:67474,CCC1C(F)(F)C12CCC(NC(=O)COc1ccc(-n3cc(-c4cnc(N(C)C)nc4)nn3)cc1)CC2,REUKUGWQPHBTQR-UHFFFAOYSA-N
-rxn:3:45142:5474:73657,COCC1C(F)(F)C12CCC(NC(=O)COc1ccc(-n3cc(-c4cnc(N(C)C)nc4)nn3)cc1)CC2,RJCYHILCFAVMAM-UHFFFAOYSA-N
-rxn:3:45142:6382:73657,COCC1C(F)(F)C12CCC(NC(=O)COc1ccc(-n3cc(-c4nccc(N(C)C)n4)nn3)cc1)CC2,ARZPUWXIKJPGBI-UHFFFAOYSA-N
-rxn:3:45333:1251:67474,CCC1C(F)(F)C12CCC(NC(=O)CC=Cc1cccc(-n3cc(-c4ccc(N(C)C)nc4)nn3)c1)CC2,CQUIYJAAHFZLCG-UHFFFAOYSA-N
-rxn:3:45333:1251:73657,COCC1C(F)(F)C12CCC(NC(=O)CC=Cc1cccc(-n3cc(-c4ccc(N(C)C)nc4)nn3)c1)CC2,ORUUHDAHNARFBX-UHFFFAOYSA-N
-rxn:3:45333:5474:67474,CCC1C(F)(F)C12CCC(NC(=O)CC=Cc1cccc(-n3cc(-c4cnc(N(C)C)nc4)nn3)c1)CC2,JWUPAPNLPWCGSE-UHFFFAOYSA-N
-rxn:3:45333:5474:73657,COCC1C(F)(F)C12CCC(NC(=O)CC=Cc1cccc(-n3cc(-c4cnc(N(C)C)nc4)nn3)c1)CC2,GONUEVCFYLEDBW-UHFFFAOYSA-N
-rxn:3:46056:16782:86559,Cc1c(-c2cn(CCC=Cc3cc(C(=O)NC4C(F)(F)C45CC5)ccn3)nn2)cnn1CCN(C)C,WZFAOKZEYRGUGK-UHFFFAOYSA-N
-rxn:3:46056:1911:83031,C=CCN(C)Cc1cn(CCC=Cc2cc(C(=O)NC3C(F)(F)C34CCC4)ccn2)nn1,DAORAOIKVLWUQH-UHFFFAOYSA-N
-rxn:3:46056:32592:109100,CN(C)c1cc(-c2cn(CCC=Cc3cc(C(=O)NCC4C(F)(F)C45CCCC5)ccn3)nn2)ccn1,RLSDRIAFIRGVQF-UHFFFAOYSA-N
-rxn:3:46056:32592:73657,COCC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCCn3cc(-c4ccnc(N(C)C)c4)nn3)c1)CC2,NHZLWXXJAMGFKP-UHFFFAOYSA-N
-rxn:3:46056:38579:109100,CN(C)c1ccc(-c2cn(CCC=Cc3cc(C(=O)NCC4C(F)(F)C45CCCC5)ccn3)nn2)cc1,UBKDEDYFABLAHG-UHFFFAOYSA-N
-rxn:3:46058:16782:77856,Cc1c(-c2cn(CCC=Cc3ccc(C(=O)N[C@H]4CCCC(F)(F)C4)cn3)nn2)cnn1CCN(C)C,NPQNQPIPUFXPST-QFIPXVFZSA-N
-rxn:3:46058:16782:83031,Cc1c(-c2cn(CCC=Cc3ccc(C(=O)NC4C(F)(F)C45CCC5)cn3)nn2)cnn1CCN(C)C,DOSAFGVKQNAGEE-UHFFFAOYSA-N
-rxn:3:46058:16782:86559,Cc1c(-c2cn(CCC=Cc3ccc(C(=O)NC4C(F)(F)C45CC5)cn3)nn2)cnn1CCN(C)C,FEQGRPVSDCHOGW-UHFFFAOYSA-N
-rxn:3:46058:38579:109100,CN(C)c1ccc(-c2cn(CCC=Cc3ccc(C(=O)NCC4C(F)(F)C45CCCC5)cn3)nn2)cc1,GJNPUORFTYYBRK-UHFFFAOYSA-N
-rxn:3:46059:16782:83031,Cc1c(-c2cn(CCC=Cc3ncccc3C(=O)NC3C(F)(F)C34CCC4)nn2)cnn1CCN(C)C,VTXQKMXMDVJKJY-UHFFFAOYSA-N
-rxn:3:46059:16782:86559,Cc1c(-c2cn(CCC=Cc3ncccc3C(=O)NC3C(F)(F)C34CC4)nn2)cnn1CCN(C)C,BEZKFRNFNIZXPG-UHFFFAOYSA-N
-rxn:3:46059:32592:109100,CN(C)c1cc(-c2cn(CCC=Cc3ncccc3C(=O)NCC3C(F)(F)C34CCCC4)nn2)ccn1,MPGMAFXKLYJLMB-UHFFFAOYSA-N
-rxn:3:46059:38579:109100,CN(C)c1ccc(-c2cn(CCC=Cc3ncccc3C(=O)NCC3C(F)(F)C34CCCC4)nn2)cc1,NRKLMDHFYGKFKV-UHFFFAOYSA-N
-rxn:3:46342:5474:108806,CN(C)c1ncc(-c2cn(CCC=Cc3cc(C(=O)NCC4CCC5(CCS(=O)(=O)CC5)O4)c(F)cn3)nn2)cn1,BQBDUYFQHNMNJW-UHFFFAOYSA-N
-rxn:3:46342:6138:127163,CCn1ncc(-c2cn(CCC=Cc3cc(C(=O)N[C@H]4CC[C@H](OC)CC4)c(F)cn3)nn2)c1C(C)C,LOKRNMJPYLAZEU-XUTJKUGGSA-N
-rxn:3:46342:6404:118516,CN1CCCN(c2ncc(-c3cn(CCC=Cc4cc(C(=O)N[C@H]5CC(C)(C)CCc6ccccc65)c(F)cn4)nn3)cn2)CC1,DNWLUCGHPHSYCA-HKBQPEDESA-N
-rxn:3:46364:8680:163450,COc1ccc2ccccc2c1[C@@H](NC(=O)c1ncc(C)cc1C=CCCn1cc(C2CC3(CCC(F)(F)CC3)C2)nn1)C1CC1,CXGJOESMVJTCGB-XIFFEERXSA-N
-rxn:3:46365:8680:154935,COc1ccc2ccccc2c1[C@H](NC(=O)c1ncc(C=CCCn2cc(C3CC4(CCC(F)(F)CC4)C3)nn2)cc1C)C1CC1,HGIYKUKVGJOZLY-UUWRZZSWSA-N
-rxn:3:47746:1251:105280,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5[C@@H]6CCCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)cn1,FPIVNFPBPHDMLC-BZOKFPOPSA-N
-rxn:3:47746:1251:113889,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CCC[C@H](C6CC6)C5)cn(C5CC5)c4c3F)nn2)cn1,PJYWEVGTTAQXGA-AZUAARDMSA-N
-rxn:3:47746:1251:115977,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5C[C@@H]5C5CCCCC5)cn(C5CC5)c4c3F)nn2)cn1,HKZPVBFFEMAVDK-YKSBVNFPSA-N
-rxn:3:47746:1251:127163,CO[C@H]1CC[C@H](NC(=O)c2cn(C3CC3)c3c(F)c(-n4cc(-c5ccc(N(C)C)nc5)nn4)c(F)cc3c2=O)CC1,JHNBUWONJGJREZ-UAPYVXQJSA-N
-rxn:3:47746:1251:74250,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCC[C@@H]6CC[C@H]56)cn(C5CC5)c4c3F)nn2)cn1,MPLBEUQVTWYJCT-LMMMUBRJSA-N
-rxn:3:47746:1251:91267,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5C[C@H]5C5CCCCC5)cn(C5CC5)c4c3F)nn2)cn1,HKZPVBFFEMAVDK-GBXCKJPGSA-N
-rxn:3:47746:2850:130458,CN(C)c1ncccc1-c1cn(-c2c(F)cc3c(=O)c(C(=O)NC4CC(F)(F)C45CCC5)cn(C4CC4)c3c2F)nn1,UDMRBTXYODWPSZ-UHFFFAOYSA-N
-rxn:3:47746:32592:118868,CN(C)c1cc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5C6CCCCCC65)cn(C5CC5)c4c3F)nn2)ccn1,VTMPTRVVMQDGOQ-UHFFFAOYSA-N
-rxn:3:47746:5474:83031,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5C(F)(F)C56CCC6)cn(C5CC5)c4c3F)nn2)cn1,HTIUZWOLBNELEF-UHFFFAOYSA-N
-rxn:3:47746:6382:104152,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5C[C@H](C6CCCC6)C5)cn(C5CC5)c4c3F)nn2)n1,NNHWHNZRTXWSEF-IYARVYRRSA-N
-rxn:3:47746:6382:105280,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5[C@@H]6CCCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)n1,CRNDBZURSCPXKW-CZKAHXPPSA-N
-rxn:3:47746:6382:113889,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CCC[C@H](C6CC6)C5)cn(C5CC5)c4c3F)nn2)n1,VTUCPUWPPYJXAS-ZWKOTPCHSA-N
-rxn:3:47746:6382:115977,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5C[C@@H]5C5CCCCC5)cn(C5CC5)c4c3F)nn2)n1,VODWLPAHQFDHAQ-GCJKJVERSA-N
-rxn:3:47746:6382:124034,CO[C@H]1CCCC[C@@H](NC(=O)c2cn(C3CC3)c3c(F)c(-n4cc(-c5nccc(N(C)C)n5)nn4)c(F)cc3c2=O)C1,CRZPNPPANPLPCA-AEFFLSMTSA-N
-rxn:3:47746:6382:127163,CO[C@H]1CC[C@H](NC(=O)c2cn(C3CC3)c3c(F)c(-n4cc(-c5nccc(N(C)C)n5)nn4)c(F)cc3c2=O)CC1,GXBVRXGGHHVLIN-JCNLHEQBSA-N
-rxn:3:47746:6382:74250,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCC[C@@H]6CC[C@H]56)cn(C5CC5)c4c3F)nn2)n1,DEZPONMTRJSIIH-XZFDIXFUSA-N
-rxn:3:47746:6382:91267,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5C[C@H]5C5CCCCC5)cn(C5CC5)c4c3F)nn2)n1,VODWLPAHQFDHAQ-PGRDOPGGSA-N
-rxn:3:47746:6382:99917,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5C[C@@H]6CCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)n1,LQQMULCRXOAJNA-HZUJVAHNSA-N
-rxn:3:49499:16806:86559,CCc1c(-c2cn(C[C@H]3C[C@H](C(=O)NC4C(F)(F)C45CC5)C3)nn2)cnn1CCN(C)C,ITUHZYWHSPJJMW-LEWLWEGZSA-N
-rxn:3:49499:32592:109100,CN(C)c1cc(-c2cn(C[C@H]3C[C@H](C(=O)NCC4C(F)(F)C45CCCC5)C3)nn2)ccn1,RECWXDNCCPXUDP-JTQDMSAYSA-N
-rxn:3:49499:6629:112703,CCOC1(CNC(=O)[C@H]2C[C@H](Cn3cc(Cn4ccn5nc(-c6cnccn6)cc45)nn3)C2)CCS(=O)(=O)CC1,GLZBWUMZAODAFA-MXVIHJGJSA-N
-rxn:3:50436:2029:77164,COc1ccc(OCC2CCCCC2)cc1NC(=O)c1ccc(C2C(Cn3cc(C4CCCN(C)C4)nn3)C2(F)F)nc1,OPFLAGLVMKYTGY-UHFFFAOYSA-N
-rxn:3:50436:9309:72884,CCn1cc(-c2cn(CC3C(c4ccc(C(=O)N[C@H]5CCCC[C@H]5Oc5cccc(OC)c5)cn4)C3(F)F)nn2)cn1,HNLQPASIIKWNIL-VZBLPSLPSA-N
-rxn:3:50440:13895:142033,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cnccc4C(=O)NOC)C3(F)F)nn2)CC1,NBDIFFBPRGVHKQ-DCEJCQMCSA-N
-rxn:3:50681:39600:96499,CO[C@H]1CC[C@@H](NC(=O)c2cccc(C)c2C2C(Cn3cc(CN4CCCC(N(C)C)C4)nn3)C2(F)F)CC1,FNVKMBZVRGAMQP-MIKMBIMWSA-N
-rxn:3:50788:28143:130003,CC(C)C1CC(NC(=O)[C@H](C)n2cc(C3C(Cn4cc([C@H]5CC[C@@H](N(C)C)CC5)nn4)C3(F)F)cn2)C1,QKUXHHRBIHYPHC-FVBIRHARSA-N
-rxn:3:51042:16799:116251,CCc1c(-c2cn(CC3C(c4ccc(OC)c(C(=O)NC5(C)CC5CC)c4)C3(F)F)nn2)cnn1C1CC1,VQLCQWKOLOGRCG-UHFFFAOYSA-N
-rxn:3:51042:18811:74987,CCC(C)n1nccc1-c1cn(CC2C(c3ccc(OC)c(C(=O)NC4CC5(CCOCC5)Oc5ccc(OC)cc54)c3)C2(F)F)nn1,LDBHOJQUEQVAFL-UHFFFAOYSA-N
-rxn:3:51042:9309:103418,CCn1cc(-c2cn(CC3C(c4ccc(OC)c(C(=O)NC(C)C5(CC)COC5)c4)C3(F)F)nn2)cn1,IUUNYJYOJXYUTE-UHFFFAOYSA-N
-rxn:3:5171:60582:78620,C=CC[C@H](C(=O)NCC1(OC)COCCOC1)n1cc(CC(C)c2ccsc2)nn1,MTAWJVZOHISACL-LRTDYKAYSA-N
-rxn:3:52492:2259:101597,CCN1CCC(c2cn(CCC3CC3c3cnccc3C(=O)NC3CC(C)(COC)Oc4ccccc43)nn2)CC1,VUXIUDYZHVWCIC-UHFFFAOYSA-N
-rxn:3:52717:16798:102845,CCc1c(-c2cn(CCC3CC3c3ccc(C(=O)N[C@@H]4CC(C)(C)c5ccccc54)cc3F)nn2)cnn1C1CCCC1,IKPFEJAVQXGMAQ-TWDLTGNASA-N
-rxn:3:52717:18642:138513,CCc1nn(CC2CC2)cc1-c1cn(CCC2CC2c2ccc(C(=O)NC3CC(C)(C)c4sccc43)cc2F)nn1,RELHJRTVWLUEFG-UHFFFAOYSA-N
-rxn:3:53319:1251:127163,CO[C@H]1CC[C@H](NC(=O)CC2C(c3cccc(-n4cc(-c5ccc(N(C)C)nc5)nn4)c3)C2(F)F)CC1,NBXPASJEQDGUME-MUFHWRDLSA-N
-rxn:3:53319:5864:127163,CO[C@H]1CC[C@H](NC(=O)CC2C(c3cccc(-n4cc(-c5ccc6nccc(N(C)C)c6c5)nn4)c3)C2(F)F)CC1,AXXMNWBBEMVPIJ-KBBJLCKYSA-N
-rxn:3:53319:6382:127163,CO[C@H]1CC[C@H](NC(=O)CC2C(c3cccc(-n4cc(-c5nccc(N(C)C)n5)nn4)c3)C2(F)F)CC1,YQWSNNSAOGWPOQ-JUGDUZOVSA-N
-rxn:3:53780:2093:104558,Cc1cccc(OCC2CCCC2)c1NC(=O)c1ncccc1OCCn1cc(C2CCCN2C)nn1,DNWGNTMBILPCDZ-UHFFFAOYSA-N
-rxn:3:53780:2196:87549,Cc1c(NC(=O)c2ncccc2OCCn2cc(C3CCCCN3C)nn2)cccc1OCC1CCCC1,PPVCDFWUKWLKKH-UHFFFAOYSA-N
-rxn:3:53780:9248:124815,O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1ncccc1OCCn1cc(C(CN2CCCCC2)N2CCCCC2)nn1,FYXHETLPUMNUIM-UHFFFAOYSA-N
-rxn:3:53841:6474:105636,CS(=O)(=O)[C@H]1CC[C@H](NC(=O)c2ncsc2C2C(CCn3cc(-c4cnn(C5CCC5)c4)nn3)C2(F)F)CC1,JRQWNQOVIFBNDO-HPLQYXLRSA-N
-rxn:3:54200:23720:132456,Cc1ccc2c(c1)C(NC(=O)c1cc(C3C(CCn4cc(C56CC5CN(C)C6)nn4)C3(F)F)ccn1)CC(C)(C)CC2,YFWHCPCGDMTWHI-UHFFFAOYSA-N
-rxn:3:544:59852:137368,N#Cc1ccc(F)cc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NC4CC(F)C4)C3)C2)nn1,UAZNAWDSGDTVHI-FDQQTPFNSA-N
-rxn:3:54545:23143:114810,CCN1CC(c2cn(CCC3C(c4cnc(C(=O)NCC5COc6c(cccc6OC)C5)c(C)c4)C3(F)F)nn2)C1,GSDQIWNSXMKGNP-UHFFFAOYSA-N
-rxn:3:5474:40558:67474,CCC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCn3cc(-c4cnc(N(C)C)nc4)nn3)c1)CC2,GWOFUVZFYOBDFE-UHFFFAOYSA-N
-rxn:3:5474:45333:73657,COCC1C(F)(F)C12CCC(NC(=O)CC=Cc1cccc(-n3cc(-c4cnc(N(C)C)nc4)nn3)c1)CC2,GONUEVCFYLEDBW-UHFFFAOYSA-N
-rxn:3:5474:47746:108504,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CCOC(C)(C)C5)cn(C5CC5)c4c3F)nn2)cn1,AHEALLQCEIKZAU-MRXNPFEDSA-N
-rxn:3:5474:47746:111403,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC(C)(C)C5CCCC5)cn(C5CC5)c4c3F)nn2)cn1,OHBWHCAQAGQMFE-UHFFFAOYSA-N
-rxn:3:5474:47746:116072,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CCCC(C)(C)C5)cn(C5CC5)c4c3F)nn2)cn1,VBMSQHPYWXPBPA-QGZVFWFLSA-N
-rxn:3:5474:47746:119410,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NCCC[C@@H]5CCCO5)cn(C5CC5)c4c3F)nn2)cn1,AWXZVBBVPBZALV-GOSISDBHSA-N
-rxn:3:5474:47746:121656,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NCC[C@@H]5C[C@H]5C5CC5)cn(C5CC5)c4c3F)nn2)cn1,MRZYGVGXRYBCRN-APWZRJJASA-N
-rxn:3:5474:47746:128514,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5C[C@H](C(C)(C)C)C5)cn(C5CC5)c4c3F)nn2)cn1,FSDUXBHIIHMBMR-QAQDUYKDSA-N
-rxn:3:5474:47746:137424,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@]5(C)CC[C@H](C)CC5)cn(C5CC5)c4c3F)nn2)cn1,NNDHFQUGDMJIIN-JGHVVRDKSA-N
-rxn:3:5474:47746:141232,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CC5C5CCCO5)cn(C5CC5)c4c3F)nn2)cn1,XAWAZSUIFPXZEE-UHFFFAOYSA-N
-rxn:3:5474:47746:141845,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC[C@H]5[C@@H]6CCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)cn1,NBUFFQLTELKULF-RUYXUALKSA-N
-rxn:3:5474:47746:74494,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NCC[C@H]5CC[C@H](C)CC5)cn(C5CC5)c4c3F)nn2)cn1,QTIYXJMSFOVBNL-IYARVYRRSA-N
-rxn:3:5474:47746:77097,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H](C5CCC5)C5CC5)cn(C5CC5)c4c3F)nn2)cn1,ADCHTCCAEBATHG-DEOSSOPVSA-N
-rxn:3:5474:47746:77990,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC(C5CCC5)C5CCC5)cn(C5CC5)c4c3F)nn2)cn1,PRBHLEZXHYLOCG-UHFFFAOYSA-N
-rxn:3:5474:47746:83246,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5C[C@@H](C(C)(C)C)C5)cn(C5CC5)c4c3F)nn2)cn1,FSDUXBHIIHMBMR-CALCHBBNSA-N
-rxn:3:5474:47746:84024,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5C[C@@H](OCC6CCC6)C5)cn(C5CC5)c4c3F)nn2)cn1,OQBSRWJOIUQUNQ-PUZFROQSSA-N
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-rxn:3:5474:56475:73487,CN(C)c1ncc(-c2cn(CC3CC3c3cc(F)c(F)cc3C(=O)NC3CC([Si](C)(C)C)C3)nn2)cn1,NDRVQEWNPODDOG-UHFFFAOYSA-N
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-rxn:3:55881:31814:86559,CN(C)CC1(c2cn(CC3CC3c3cc(C(=O)NC4C(F)(F)C45CC5)ccn3)nn2)CC1,NKMFKOPPXNOGGF-UHFFFAOYSA-N
-rxn:3:55881:39718:79529,Cc1ccc(NC(=O)c2ccnc(C3CC3Cn3cc(C(C)(C)CC4CCCC4)nn3)c2)cc1S(=O)(=O)C1CCCC1,LRZCRTJXAPUDJU-UHFFFAOYSA-N
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-rxn:3:55887:2259:90621,CCN1CCC(c2cn(CC3CC3c3ccnc(C(=O)N[C@@H]4CC(C)(C)[C@@H]4OCc4ccccc4)c3)nn2)CC1,LJSBPTSZPWFIME-RZIWGSMXSA-N
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-rxn:3:56298:39520:125809,Cc1ccc(NC(=O)c2cc(C3CC3Cn3cc(CN4CCCC(C)C4)nn3)ncc2F)cc1OCC1CCC1,PTPNRVMVZBWKGS-UHFFFAOYSA-N
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-rxn:3:56327:12214:75523,CCN1C[C@@H](F)[C@H](c2cn(CC3CC3c3cc(C)cnc3C(=O)NC(c3ccc(OC)c(C)c3)C3(C)CC3)nn2)C1,ACQGRZRZYMSHRH-NXQJJQGOSA-N
-rxn:3:56474:3694:74993,Cc1ccc(OCC2CCCCC2)c(NC(=O)c2c(F)cc(C3CC3Cn3cc(-c4cnn(C5CC5)c4)nn3)cc2F)c1,UFQJROGHJLWDRG-UHFFFAOYSA-N
-rxn:3:57295:16782:130458,Cc1c(-c2cn(CCCc3sccc3C(=O)NC3CC(F)(F)C34CCC4)nn2)cnn1CCN(C)C,JRVSKBDUFURILP-UHFFFAOYSA-N
-rxn:3:57883:32621:131204,COc1ccc(C)cc1C(C)(NC(=O)c1ccc(CCCn2cc([C@@H]3CCC(F)(F)C3)nn2)cn1)C1CC1,YDGBSCZPZNZRFN-IHKRANBOSA-N
-rxn:3:57883:32622:126513,COc1ccc(C)cc1C1(CNC(=O)c2ccc(CCCn3cc([C@H]4CCC(F)(F)C4)nn3)cn2)CCC(C)C1,GQABHNIBQWTADV-FHGPBERCSA-N
-rxn:3:57883:32622:131204,COc1ccc(C)cc1C(C)(NC(=O)c1ccc(CCCn2cc([C@H]3CCC(F)(F)C3)nn2)cn1)C1CC1,YDGBSCZPZNZRFN-QDLLFRBVSA-N
-rxn:3:57885:2259:116871,CCN1CCC(c2cn(CCCc3cc(C(=O)NC4CCOc5cccc(OC)c54)ccn3)nn2)CC1,CFUFEBHTHMCLQA-UHFFFAOYSA-N
-rxn:3:57888:16782:130458,Cc1c(-c2cn(CCCc3ncccc3C(=O)NC3CC(F)(F)C34CCC4)nn2)cnn1CCN(C)C,HUHSJSYYOBCYGP-UHFFFAOYSA-N
-rxn:3:57888:16782:77856,Cc1c(-c2cn(CCCc3ncccc3C(=O)N[C@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,IGKXTNGGPZJDPF-IBGZPJMESA-N
-rxn:3:57888:16782:83031,Cc1c(-c2cn(CCCc3ncccc3C(=O)NC3C(F)(F)C34CCC4)nn2)cnn1CCN(C)C,WADNPQWWZYJOPM-UHFFFAOYSA-N
-rxn:3:57888:16782:94773,Cc1c(-c2cn(CCCc3ncccc3C(=O)N[C@H]3C[C@@]4(CCC4(F)F)C3)nn2)cnn1CCN(C)C,WJTSWQIEIQZTKD-FEHRVWHQSA-N
-rxn:3:57888:5864:123002,CN(C)c1ccnc2ccc(-c3cn(CCCc4ncccc4C(=O)NC4CC5(C4)C(F)(F)C54CCC4)nn3)cc12,WERIJUWYEIGPIQ-UHFFFAOYSA-N
-rxn:3:57889:16782:83031,Cc1c(-c2cn(CCCc3ccnc(C(=O)NC4C(F)(F)C45CCC5)c3)nn2)cnn1CCN(C)C,DEZRZVPKOPKRFB-UHFFFAOYSA-N
-rxn:3:57889:8680:129087,COc1ccc([C@H](NC(=O)c2cc(CCCn3cc(C4CC5(CCC(F)(F)CC5)C4)nn3)ccn2)C2CC2)cc1C,ZUFDIIXGIBWTLK-GDLZYMKVSA-N
-rxn:3:57890:16782:130458,Cc1c(-c2cn(CCCc3cnccc3C(=O)NC3CC(F)(F)C34CCC4)nn2)cnn1CCN(C)C,ONLHIBCXJXDYGQ-UHFFFAOYSA-N
-rxn:3:57890:16782:83031,Cc1c(-c2cn(CCCc3cnccc3C(=O)NC3C(F)(F)C34CCC4)nn2)cnn1CCN(C)C,QYXDAWLPSBOCJO-UHFFFAOYSA-N
-rxn:3:58104:28122:129524,CN(C)C1CCn2c(-c3cn(CCCc4cc(C(=O)NCC5CC6(C5)CC(C)(C)C6)ccc4F)nn3)ccc21,JGCXTVNOYVXPLD-UHFFFAOYSA-N
-rxn:3:58257:32621:117647,COc1ccc([C@@H](NC(=O)c2ncc(CCCn3cc([C@@H]4CCC(F)(F)C4)nn3)cc2C)C2CCCC2)cc1C,KNYVGJGNFRMHJY-IRPSRAIASA-N
-rxn:3:58257:32621:132070,COc1ccc([C@H](NC(=O)c2ncc(CCCn3cc([C@@H]4CCC(F)(F)C4)nn3)cc2C)C2CCCCC2)cc1C,PMIRFCQVTRRIFM-PDDLMNHVSA-N
-rxn:3:5864:56299:113858,CCO[C@H]1CC[C@H](NC(=O)c2ccnc(C3CC3Cn3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)c2F)CC1,ORBNQUGSEPRTQW-RECKSLIWSA-N
-rxn:3:5864:56473:96499,CO[C@H]1CC[C@@H](NC(=O)c2c(F)ccc(C3CC3Cn3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)c2F)CC1,VYIOHHBVMRRYDO-FXONQQHQSA-N
-rxn:3:59446:5864:73657,COCC1C(F)(F)C12CCC(NC(=O)[C@H]1C[C@@H](n3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)C1)CC2,DVCYEJFWUIGOPE-ZNGSCODASA-N
-rxn:3:59446:7075:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1C[C@@H](n2cc(-c3cccnc3N3CCN(C)CC3)nn2)C1,RYEPWDJWJWCMFN-KDURUIRLSA-N
-rxn:3:59842:1251:76797,CC(C)OC1(CNC(=O)[C@H]2CC=C[C@H](n3cc(-c4ccc(N(C)C)nc4)nn3)C2)CS(=O)(=O)C1,RKIIKKQPPJAIER-HKUYNNGSSA-N
-rxn:3:59842:5474:112703,CCOC1(CNC(=O)[C@H]2CC=C[C@H](n3cc(-c4cnc(N(C)C)nc4)nn3)C2)CCS(=O)(=O)CC1,OJEJGEBOZMADBT-HKUYNNGSSA-N
-rxn:3:59842:6629:112703,CCOC1(CNC(=O)[C@H]2CC=C[C@H](n3cc(Cn4ccn5nc(-c6cnccn6)cc45)nn3)C2)CCS(=O)(=O)CC1,AHLVYNBIAMNWOE-UNMCSNQZSA-N
-rxn:3:59852:17875:81395,CC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5nccn5CC5CC5)nn4)C3)CCO2)CS(=O)(=O)C1,LHNHNUGRRGYZHG-JLMWTWJWSA-N
-rxn:3:59852:1881:65938,O=C(NCC1COCCS(=O)(=O)C1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnc5scnc5c4)nn3)C2)CCO1,MOXIEZYXOSNGNC-YDJSWOFHSA-N
-rxn:3:59852:23873:65938,CN1CCC[C@H]1c1cncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5COCCS(=O)(=O)C5)C4)C3)nn2)c1,VGNQTFWNUYINNQ-OJMCVGAXSA-N
-rxn:3:59852:27780:91653,Cc1nc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)Nc5cccc(S(=O)(=O)C6CCOCC6)c5)C4)C3)nn2)nc2c1ncn2C,QCPNFLAWPIBPTN-GRIOEYINSA-N
-rxn:3:59852:36914:105636,CCn1nccc1-c1cc(F)cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)N[C@H]5CC[C@H](S(C)(=O)=O)CC5)C4)C3)nn2)c1,GTWQFGJFORLICA-OSGIREHNSA-N
-rxn:3:59852:5474:140472,CN(C)c1ncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC(CS(=O)(=O)F)CC5)C4)C3)nn2)cn1,BWTUWPVJZVNEDA-IDZLPACLSA-N
-rxn:3:59852:5474:81395,CN(C)c1ncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5(C)CS(=O)(=O)C5)C4)C3)nn2)cn1,OCUSMQWJQWCTME-ONTUJTEPSA-N
-rxn:3:59852:6383:81395,CN(C)c1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5(C)CS(=O)(=O)C5)C4)C3)nn2)ncn1,JJQUSOQQDQRGBJ-FYQIFJIOSA-N
-rxn:3:59852:6474:106561,Cc1cc(S(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(C5CCC5)c4)nn3)C2)CCO1,LBEMPDYFFCSVLG-GXIDFNPISA-N
-rxn:3:59852:7075:100539,Cc1ccc(S(=O)(=O)F)cc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccnc4N4CCN(C)CC4)nn3)C2)CCO1,AAJCXBHSMLRLEK-TXUOUNKJSA-N
-rxn:3:59937:1911:86559,C=CCN(C)Cc1cn(C2CCC3(C(=O)NC4C(F)(F)C45CC5)CC23)nn1,QKWLARXGKXGZIV-UHFFFAOYSA-N
-rxn:3:59958:6742:112703,CCOC1(CNC(=O)[C@@H]2CCC[C@@H](n3cc(Cn4cc(-c5cnccn5)cn4)nn3)C2)CCS(=O)(=O)CC1,APHLRXLIMFCYOU-DENIHFKCSA-N
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-rxn:3:60580:12213:69332,C=CC[C@@H](C(=O)NCc1sccc1OCC1CCCO1)n1cc([C@@H]2CN(C)C[C@H]2F)nn1,JWXTXKZZPONEHC-PVEMLNBOSA-N
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-rxn:3:60580:2850:119713,C=CC[C@@H](C(=O)NC1CCC2(CC1)OCC2(F)F)n1cc(-c2cccnc2N(C)C)nn1,WBVIRUAMRGOVOY-GFBDMGBSSA-N
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-rxn:3:60580:6382:113048,C=CC[C@@H](C(=O)NCC1CCOC12CCS(=O)(=O)CC2)n1cc(-c2nccc(N(C)C)n2)nn1,AJDRYOQBAUXMDR-DAFXYXGESA-N
-rxn:3:60580:6392:113048,C=CC[C@@H](C(=O)NCC1CCOC12CCS(=O)(=O)CC2)n1cc(-c2nccn3nccc23)nn1,VYDJNYQGHGHDQN-CVMIBEPCSA-N
-rxn:3:60580:6403:108806,C=CC[C@@H](C(=O)NCC1CCC2(CCS(=O)(=O)CC2)O1)n1cc(-c2cnc(N3CCN(C)CC3)nc2)nn1,UWUCPBJWPICZCP-IAXKEJLGSA-N
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-rxn:3:60580:8620:69168,C=CC[C@@H](C(=O)NCCOc1cccc2occc12)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,BNDMXGDMWWFUHS-IBGZPJMESA-N
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-rxn:3:6403:59852:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnc(N5CCN(C)CC5)nc4)nn3)C2)CCO1,GWYWEEIFSUMFAG-AGJHVYIYSA-N
-rxn:3:6403:59852:92547,CN1CCN(c2ncc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)Nc6ccc(OS(=O)(=O)F)cc6)C5)C4)nn3)cn2)CC1,XZBREXJXHUMOPN-ZXCMUDJBSA-N
-rxn:3:6404:59446:83497,CCS(=O)(=O)c1ccsc1NC(=O)[C@H]1C[C@@H](n2cc(-c3cnc(N4CCCN(C)CC4)nc3)nn2)C1,XADALRQMLWZWCS-MAEOIBBWSA-N
-rxn:3:6404:59446:93449,CCS(=O)(=O)c1ccccc1CNC(=O)[C@H]1C[C@@H](n2cc(-c3cnc(N4CCCN(C)CC4)nc3)nn2)C1,YSVXUFHACAOTFC-GRGXKFILSA-N
-rxn:3:6404:59969:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@@]12C[C@@H](n3cc(-c4cnc(N5CCCN(C)CC5)nc4)nn3)[C@@H]1C2,DIHUEYXGSIOBQU-CLLDFNAGSA-N
-rxn:3:64126:34776:102865,Cc1ccc(-c2cn(CC3CC(=O)N(C[C@H]4CC[C@H](C(=O)Nc5c(C)cccc5OCC5CC5)CC4)C3)nn2)cn1,GWQYWASPPWMSBD-MLIXLJITSA-N
-rxn:3:64126:38327:81331,Cc1cnc(-c2cn(CC3CC(=O)N(C[C@H]4CC[C@H](C(=O)Nc5ccc(OCC6CC6)cc5C)CC4)C3)nn2)cn1,RZNGSUSLHMFXOR-RZYVOTBYSA-N
-rxn:3:64126:3882:133874,CCC(C)[C@@H](NC(=O)[C@H]1CC[C@H](CN2CC(Cn3cc(-c4cnc5c(ccn5C)c4)nn3)CC2=O)CC1)c1ccc2c(c1)CCO2,JEFBAXFMYHPAOP-JPEVAUCZSA-N
-rxn:3:64126:5864:122756,CN(C)c1ccnc2ccc(-c3cn(CC4CC(=O)N(C[C@H]5CC[C@H](C(=O)NC6CC[Si](C)(C)CC6)CC5)C4)nn3)cc12,XDVUTGOTXIZHRJ-ANRZFKABSA-N
-rxn:3:64126:5864:130458,CN(C)c1ccnc2ccc(-c3cn(CC4CC(=O)N(C[C@H]5CC[C@H](C(=O)NC6CC(F)(F)C67CCC7)CC5)C4)nn3)cc12,DTUHIGYIYYYSML-LDXZZDIJSA-N
-rxn:3:64126:5864:131639,CN(C)c1ccnc2ccc(-c3cn(CC4CC(=O)N(C[C@H]5CC[C@H](C(=O)N[C@H]6C[C@](C)(F)C6)CC5)C4)nn3)cc12,KMLNBFKKPPUSOK-RNWMPESWSA-N
-rxn:3:64126:5864:83031,CN(C)c1ccnc2ccc(-c3cn(CC4CC(=O)N(C[C@H]5CC[C@H](C(=O)NC6C(F)(F)C67CCC7)CC5)C4)nn3)cc12,LEJUCIHTMXTVCW-QDPNGYNPSA-N
-rxn:3:64126:5864:84875,CN(C)c1ccnc2ccc(-c3cn(CC4CC(=O)N(C[C@H]5CC[C@H](C(=O)NC6CCC[Si](C)(C)CC6)CC5)C4)nn3)cc12,RFRYFLLIFRHEJY-GOIWDGRCSA-N
-rxn:3:64126:6450:156104,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(C[C@H]4CC[C@H](C(=O)Nc5ccc6c(c5)C5(CCCO5)CS6(=O)=O)CC4)C3)nn2)cn1,LHBJAUUEAZIOGP-ZSJJWCQDSA-N
-rxn:3:64276:17879:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1CC[C@@H](N2CC(Cn3cc(-c4nccn4C4CCSC4)nn3)CC2=O)CC1,VWHYEVMNRUXWOD-UUVJWNOVSA-N
-rxn:3:64276:31837:131099,Cc1ccc(NC(=O)[C@H]2CC[C@@H](N3CC(Cn4cc(-c5cnc(C#N)c(F)c5)nn4)CC3=O)CC2)cc1OCC1CC1,WARZLANMZHBWGD-GSAJAVDVSA-N
-rxn:3:64276:3882:127049,CCC[C@@H](NC(=O)[C@H]1CC[C@@H](N2CC(Cn3cc(-c4cnc5c(ccn5C)c4)nn3)CC2=O)CC1)c1ccccc1,CCDFYKYWDMGNGL-SOGDMECJSA-N
-rxn:3:64276:39007:99989,CCOc1ccc(NC(=O)[C@H]2CC[C@@H](N3CC(Cn4cc(-c5ncc(C)cc5F)nn4)CC3=O)CC2)cc1C1CC1,SKAHPTPINRDJEL-AANAHZPYSA-N
-rxn:3:64276:6403:92547,CN1CCN(c2ncc(-c3cn(CC4CC(=O)N([C@H]5CC[C@@H](C(=O)Nc6ccc(OS(=O)(=O)F)cc6)CC5)C4)nn3)cn2)CC1,AZZMIBCCZYDWKR-XPGFBYLASA-N
-rxn:3:6441:49499:76797,CC(C)OC1(CNC(=O)[C@H]2C[C@H](Cn3cc(-c4ccc(-c5cncn5C)s4)nn3)C2)CS(=O)(=O)C1,BVSUUXXEPYPILZ-QAQDUYKDSA-N
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-rxn:3:963:40920:66173,CCOC1CC(NC(=O)c2ccnc(C=CCn3cc(-c4cccc(N(C)C)c4)nn3)c2F)C12CCC2,NLNLTGWURPQDGI-UHFFFAOYSA-N
-rxn:3:981:43162:127163,CO[C@H]1CC[C@H](NC(=O)Cc2cc(C#CCn3cc(C(C)N(C)C)nn3)ccc2F)CC1,YVXRIHDGKSGNIH-XYGNKKJESA-N
-rxn:3:981:43162:141994,CC[C@H]1CC[C@@H](NC(=O)Cc2cc(C#CCn3cc(C(C)N(C)C)nn3)ccc2F)CC1,KYCXNYAYUGEYGP-WSFQTCJWSA-N
-rxn:3:981:43162:91519,CC[C@H]1CC[C@H](NC(=O)Cc2cc(C#CCn3cc(C(C)N(C)C)nn3)ccc2F)CC1,KYCXNYAYUGEYGP-NCRIQYHFSA-N
-rxn:3:981:43166:141994,CC[C@H]1CC[C@@H](NC(=O)Cc2ccc(C#CCn3cc(C(C)N(C)C)nn3)cc2F)CC1,XDNXFFLPFSOHOH-WSFQTCJWSA-N
-rxn:3:981:43166:91519,CC[C@H]1CC[C@H](NC(=O)Cc2ccc(C#CCn3cc(C(C)N(C)C)nn3)cc2F)CC1,XDNXFFLPFSOHOH-NCRIQYHFSA-N
-rxn:3:981:43166:96499,CO[C@H]1CC[C@@H](NC(=O)Cc2ccc(C#CCn3cc(C(C)N(C)C)nn3)cc2F)CC1,QLMIQSPKRGEFSM-PRJVBOEPSA-N
-rxn:3:981:60637:67474,CCC1C(F)(F)C12CCC(NC(=O)c1cc(-n3cc(C(C)N(C)C)nn3)ccc1OC)CC2,KMEWJRYYYUIFIG-UHFFFAOYSA-N
-rxn:2:101651:160854,CC(C)CCn1c2c(cc(C(C)NCCc3ccnn3C3CCN(C)CC3)c1=O)CN(C)CC2,BHKJIGJYVIHUJU-UHFFFAOYSA-N
-rxn:2:103603:112215,CCC(C(NCC1(F)CCN(C)C1)c1ccc2c(c1)CCC2)N1CCCC1,XIAAXPDPXBISML-UHFFFAOYSA-N
-rxn:2:103603:126170,CCCC(C(NCC1(F)CCN(C)C1)c1ccc2c(c1)CCC2)N1CCCC1,FQOPZQUKYDFXRP-UHFFFAOYSA-N
-rxn:2:103603:130197,CCC(NCC1(F)CCN(C)C1)c1ccc(N2CCN(C)CC2)nc1C,OUZXQFQXYFZNQQ-UHFFFAOYSA-N
-rxn:2:103603:144616,CC(C)c1nc2cc(C(CCN3CCCCC3)NCC3(F)CCN(C)C3)ccc2[nH]1,NOYNTYDNOXAZOB-UHFFFAOYSA-N
-rxn:2:103931:120702,CC(C)C1C(F)(F)C12CCC(Nc1cnc(N3CCOCC3)nc1N(C)C)CC2,JVJUVQCAMCBWPH-UHFFFAOYSA-N
-rxn:2:104192:119423,Cc1cc2c(n1CCN(C)C)CCCC2NC[C@@H]1C[C@H](F)CN1Cc1nccn1C,RRHZUUPWWWXTDW-CHEUHSMRSA-N
-rxn:2:105079:159769,COCCCN1Cc2cc(NC(C)c3nc4cccnc4n3C3CCN(C)CC3)ccc2C2(CC2)C1,YNRTZYPHBUVFIJ-UHFFFAOYSA-N
-rxn:2:105234:117066,CC(NC1CC2CCC(C1)N2CC1CCCO1)c1ccc(OS(=O)(=O)[O-])cc1,LFYSIRHUNPEGFW-UHFFFAOYSA-M
-rxn:2:105235:117066,CC(NCC1CN(C)CC1C1CCCO1)c1ccc(OS(=O)(=O)[O-])cc1,PTJRBCNZXHVORH-UHFFFAOYSA-M
-rxn:2:105399:149333,COc1cc(-c2ccc(N3CCCC3)nc2)ccc1C(C)NCCN1CCS(=O)(=O)C(C)C1,WRKVWGHKDDHRSL-UHFFFAOYSA-N
-rxn:2:106041:166041,CCC1CCCCN1Cc1ccc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)s1,KLELPHNUJNBESC-UHFFFAOYSA-N
-rxn:2:107304:122030,CC(C)C(NCC1(N(C)C)CCC(F)(F)CC1)c1ccn(CC2CCC2)n1,USDNAJSDQSEELB-UHFFFAOYSA-N
-rxn:2:107393:107304,CC1Cc2nc(N3CCN(C)CC3)ncc2C(NCC2(N(C)C)CCC(F)(F)CC2)C1,CHJBDFXAZAEKNS-UHFFFAOYSA-N
-rxn:2:107571:119754,CCC1C(F)(F)C12CCC(NCc1cn(CCN(C)C)nc1C)CC2,IYUGRUYAWJQMIV-UHFFFAOYSA-N
-rxn:2:108506:143973,CN1CCC(N(C)c2ccnc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)CC1,QTGAPDWUTYBJJY-UHFFFAOYSA-N
-rxn:2:108624:119754,CCC1C(F)(F)C12CCC(Nc1c3c(nn1CCN(C)C)CCC3C)CC2,ARPDAAPFGHVVSK-UHFFFAOYSA-N
-rxn:2:108876:143973,CN1CCC(N(C)c2ccnc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)C1,BAHBTDXPPQZHPN-UHFFFAOYSA-N
-rxn:2:109100:129281,CC(C)c1nn(CCN(C)C)c2c1C(NCC1C(F)(F)C13CCCC3)CCC2,SOPYPKJBZAWTKM-UHFFFAOYSA-N
-rxn:2:109190:166005,Cc1nc(CN2CCC(CNC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)CC2)oc1C,QDYMBSRUDWJQBU-UHFFFAOYSA-N
-rxn:2:109214:119754,CCC1C(F)(F)C12CCC(Nc1cccnc1N(C)CCN(C)C)CC2,IDFVUDDFKATUOO-UHFFFAOYSA-N
-rxn:2:109303:120702,CC(C)C1C(F)(F)C12CCC(Nc1cnccc1OCCN(C)C)CC2,JHIXQDXULFVPKI-UHFFFAOYSA-N
-rxn:2:109942:100289,CC(C(N[C@@H]1CCOc2ccc(S(C)(=O)=O)cc21)c1ccc2c(c1)OCO2)N1CCCC1,HEYAEGAGQWMDFL-HYSRAYMDSA-N
-rxn:2:110254:140318,CC1CC(C)Oc2cc(C(C)NC3CCCCC3OS(C)(=O)=O)ccc2O1,UKNDLHASZYMJTD-UHFFFAOYSA-N
-rxn:2:111017:117066,CC(NCC1CCC(CN(C)C2CC2)O1)c1ccc(OS(=O)(=O)[O-])cc1,BVNYGYBLGAROML-UHFFFAOYSA-M
-rxn:2:111106:116958,CCn1cc(C(CN2CCOCC2)Nc2ccc(N3CC(C)C(COC)C3)nc2)cn1,LKGFYUOIEOKODO-UHFFFAOYSA-N
-rxn:2:111106:128977,CCn1cc(C(CN2CCOCC2)Nc2ccc(N3CC(C)C(COC)C3)nc2)c(C)n1,APPOTWSDVUJZEY-UHFFFAOYSA-N
-rxn:2:111134:133485,CC(C)c1cn(CCN(C)C)nc1NC1C(F)(F)CCCCC12CCC2,XUHVBJNGWUSPMI-UHFFFAOYSA-N
-rxn:2:111367:146538,COc1ccc(C(NC23CC(C(F)(F)c4ccc(OC)cc4)(C2)C3)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,XZWMLNIYQOOHSX-UHFFFAOYSA-N
-rxn:2:111580:126600,Cc1ccc(C(C)NC2CCN(c3ncc(C4CCN(C)C4)cn3)C2)c(OS(=O)(=O)F)c1,VIYCGDUQTQBCHZ-UHFFFAOYSA-N
-rxn:2:111610:107131,CCC1CCCN1CC(NC1(COS(=O)(=O)[O-])CCCC1)c1cccc(OC)c1,FMILVOHMMZSFNK-UHFFFAOYSA-M
-rxn:2:111610:117106,COc1ccc(C(NC2(COS(=O)(=O)[O-])CCCC2)C2CCC2)c(C)c1,HQLPPLFPBPDNIP-UHFFFAOYSA-M
-rxn:2:111610:84568,COc1ccc(CCC(NC2(COS(=O)(=O)[O-])CCCC2)C2CCC2)cc1,GPXUJBQFQLGAON-UHFFFAOYSA-M
-rxn:2:111610:85171,COc1ccc(C(CN2CCN(C)CC2)NC2(COS(=O)(=O)[O-])CCCC2)cc1,DCKOIXWYOYWOJP-UHFFFAOYSA-M
-rxn:2:111776:134221,CCC(Nc1ccc(N2CCCN(C)CC2)cc1OC)c1cnc(N2CCN(C)CC2)cc1C,QATYTCLTZOZLKW-UHFFFAOYSA-N
-rxn:2:112062:126600,Cc1ccc(C(C)NCC2CCCN(C3CC3)C2c2ccnn2C)c(OS(=O)(=O)F)c1,OYKVWXRJRSUBEO-UHFFFAOYSA-N
-rxn:2:112775:91308,CCC(Nc1c(C2(C)CC2)c(C)nn1CCN(C)C)C1CCC(F)(F)CC1,BEMUCRSNQNIOLZ-UHFFFAOYSA-N
-rxn:2:113378:149271,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccccc1-c1cc(=O)[nH]c(=O)[nH]1,OAHGSHKUWUQYLL-UHFFFAOYSA-N
-rxn:2:113378:155146,CC(=O)c1cc(-c2ccc(OC(C)NOCC3CCN(C4CCS(=O)(=O)C4)CC3)cc2)cs1,KISHMBFNIZGZJX-UHFFFAOYSA-N
-rxn:2:113378:167658,CC(=O)c1ccc(-c2ccc(OC(C)NOCC3CCN(C4CCS(=O)(=O)C4)CC3)cc2)s1,XBEXEFADLLJPJZ-UHFFFAOYSA-N
-rxn:2:113378:173268,COc1ccc(C(NOCC2CCN(C3CCS(=O)(=O)C3)CC2)C(C)C)cc1-c1cccs1,DEXZCDOOBZBEKJ-UHFFFAOYSA-N
-rxn:2:114215:79396,CC1OC2(CCN(C)CC2)CC1NCC1(N(C)Cc2cnn(C)c2)CCN(C)C1,PEHHXLWXKXPCAR-UHFFFAOYSA-N
-rxn:2:114374:154283,Cc1nc2nc(N3CCCC3)[nH]c(=O)c2cc1C(C)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1,WPFSKWFQFKCJJF-BEEDKBRMSA-N
-rxn:2:114413:114309,CC(Cc1csc(CN2CCOCC2)n1)NC(CN1CCN(C)CC1)c1cccn1C,PNWMUTXANVJVBP-UHFFFAOYSA-N
-rxn:2:114453:120859,CC1C(F)(F)C12CCC(NC1CCCc3c1ccn3CC(C)(C)CN(C)C)CC2,XEQNOOVOIZVTNO-UHFFFAOYSA-N
-rxn:2:115637:146004,CCCC1CCN(c2ccc(NC3CCc4cccc(-c5cnc(N6CCOCC6)nc5)c43)c(OC)n2)CC1,KEIDVAHKKGOLHH-UHFFFAOYSA-N
-rxn:2:115824:166041,CCN1CCN(c2cccc(NC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)c2)CC1,PBHJJULDBVVJAB-UHFFFAOYSA-N
-rxn:2:115901:119423,Cc1cc2c(n1CCN(C)C)CCCC2NC[C@@H]1C[C@H](F)CN1Cc1ccnn1C,CVUQVENEQAVXDO-LCODYBDSSA-N
-rxn:2:115901:80610,CC(CCCCN1CCCN(C)CC1)NC[C@@H]1C[C@H](F)CN1Cc1ccnn1C,YXXUMRFJBSSPGG-BXBRYHBFSA-N
-rxn:2:117066:124570,CC(NC1CC2CCC(C1)N2CC1COCCO1)c1ccc(OS(=O)(=O)[O-])cc1,UREQUSGKYHTFAQ-UHFFFAOYSA-M
-rxn:2:117066:126958,CC(NC1CC2CCC(C1)N2C1COC1)c1ccc(OS(=O)(=O)[O-])cc1,ZNEVRIGYQFKWRQ-UHFFFAOYSA-M
-rxn:2:117893:136378,CCC(NC1CCN(CCOS(C)(=O)=O)CC1)c1cnc(N2CCN(C)CC2)cc1C,QMEICXFWCULWKL-UHFFFAOYSA-N
-rxn:2:118111:127862,CCN1CCC(CNC(CN(C)C(C)C(C)C)c2ccc[nH]2)(OC)CC1,KWBXMQLAUUXRLZ-UHFFFAOYSA-N
-rxn:2:119511:104349,CCN1CCC(Oc2ccc(C(C)Nc3nccc(N(C)[C@@H]4COC[C@H]4F)n3)cc2OC)CC1,HTFVMQBMFXIVTB-LTGQRPFBSA-N
-rxn:2:119754:112775,CCC1C(F)(F)C12CCC(Nc1c(C3(C)CC3)c(C)nn1CCN(C)C)CC2,IYHCLBRKDNTUFH-UHFFFAOYSA-N
-rxn:2:119754:117795,CCC1C(F)(F)C12CCC(Nc1c(C)c(C(C)C)nn1CCN(C)C)CC2,WQETWZBQWPVDBD-UHFFFAOYSA-N
-rxn:2:119754:125929,CCC1C(F)(F)C12CCC(Nc1c(CN(C)CC3CCC3)c(C)nn1C)CC2,KBNYJMHPKXYGMP-UHFFFAOYSA-N
-rxn:2:119754:125934,CCC1C(F)(F)C12CCC(Nc1nn(CCCN(C)C)c3c1C(C)CC3)CC2,PICMLUDTIOMZLM-UHFFFAOYSA-N
-rxn:2:119754:127609,CCC1C(F)(F)C12CCC(Nc1c(C)c(C3(C)CC3)nn1CCN(C)C)CC2,OQSLCKVJMRMDBZ-UHFFFAOYSA-N
-rxn:2:119754:135564,CCC1C(F)(F)C12CCC(NCc1c3c(nn1CCN(C)C)CCC3C)CC2,LKJNAVBJALHFHE-UHFFFAOYSA-N
-rxn:2:119754:137439,CCC1C(F)(F)C12CCC(Nc1nn(CCN(C)C)c3c1C(C)CC3)CC2,ALYIMVDROIHXCM-UHFFFAOYSA-N
-rxn:2:119865:130197,CCC(Nc1ccc(N2CCN(C)CC2)nc1OC)c1ccc(N2CCN(C)CC2)nc1C,WSOZODBDXDUMJA-UHFFFAOYSA-N
-rxn:2:120702:136211,CC(C)C1C(F)(F)C12CCC(NC1CCCc3c1c(C1CC1)nn3CCN(C)C)CC2,ROBZQVZDFSUYGN-UHFFFAOYSA-N
-rxn:2:120702:139096,CC(C)C1C(F)(F)C12CCC(Nc1[nH]nc3c1CN(CCN(C)C)CC3)CC2,MEXFVRXGFGWARE-UHFFFAOYSA-N
-rxn:2:120784:112930,CCOCC1CCN(c2ccccc2NC(CN2CCCCCCC2)c2ccn(C)c2)CC1,KCYIIHPPDUPDPO-UHFFFAOYSA-N
-rxn:2:121224:143973,CN1CCC(N(C)c2nccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)CC1,RJSIHFVXHPINFK-UHFFFAOYSA-N
-rxn:2:121517:126600,Cc1ccc(C(C)NCC2CCCC2N2CCCC2c2cccnc2)c(OS(=O)(=O)F)c1,CPVOVGIQUBHVJL-UHFFFAOYSA-N
-rxn:2:122646:95376,CCC(Nc1ccc(OCCN2CCN(C)CC2)nc1)c1ccc(N2CCCC2)nc1C,LQHMUSCLULRKAX-UHFFFAOYSA-N
-rxn:2:123106:160431,COc1cc(C#CC(C)C)c(NC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)cn1,HSQLJZQBLRJWML-UHFFFAOYSA-N
-rxn:2:123406:126600,Cc1ccc(C(C)Nc2ccc(N3CCN(C4COC4)C[C@@H]3C)cn2)c(OS(=O)(=O)F)c1,GWWCWGDMASTZCH-BHWOMJMDSA-N
-rxn:2:124106:152258,CCC(Nc1c(OC)cnn1C1CCS(=O)(=O)CC1)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,UJTUFLXHQFEGMM-UHFFFAOYSA-N
-rxn:2:124700:124940,CC(C)N1CCC(N[C@H]2COc3cc(S(C)(=O)=O)ccc32)CC1c1ccc2c(c1)OCO2,VRRXBYPOVYCBRI-SGDIKTSBSA-N
-rxn:2:125337:134221,CCC(NCCCN1CCN(C)Cc2cc(OC)ccc21)c1cnc(N2CCN(C)CC2)cc1C,JCYAHYBOBOVRSK-UHFFFAOYSA-N
-rxn:2:125337:146033,COc1ccc2c(c1)CN(C)CCN2CCCNC(C)c1ccc(-c2cnc(N3CCCCC3)nc2)cn1,VVVGKGVYGDXIHR-UHFFFAOYSA-N
-rxn:2:125981:127973,COc1cc(NC(CN2CCOCC2)c2ccc(OC(C)C)c(C)c2)ncc1S(C)(=O)=O,ZNVAXBXGGZBNGD-UHFFFAOYSA-N
-rxn:2:126600:151078,Cc1ccc(C(C)Nc2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)c(OS(=O)(=O)F)c1,FSDSJJJANSCAMJ-UHFFFAOYSA-N
-rxn:2:126600:160921,Cc1ccc(C(C)Nc2n[nH]c(=O)cc2C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,PGPVHWROFVBLHD-UHFFFAOYSA-N
-rxn:2:126600:163096,Cc1ccc(C(C)Nc2nc(C34CC5CC(CC(C5)C3)C4)cc(=O)[nH]2)c(OS(=O)(=O)F)c1,GEPSVAOTWTYSKS-UHFFFAOYSA-N
-rxn:2:126606:158733,CCOS(=O)(=O)c1ncccc1NC(C)c1ccc(OC)c(OC(C)C2CCCN(C)C2)c1,HQMVLSWXUUMVEB-UHFFFAOYSA-N
-rxn:2:126812:106196,CC(Nc1ccc(OCC2CN(C)CCN2C)cn1)c1cnccc1OCCN1CCOCC1,CCYOKJXVXZVSMX-UHFFFAOYSA-N
-rxn:2:126958:140202,CC(NC1CC2CCC(C1)N2C1COC1)c1ccc(OS(C)(=O)=O)cc1,WRFNFTYMWKZUDT-UHFFFAOYSA-N
-rxn:2:127132:125797,CS(=O)(=O)C1CCC(CNC(c2ccccc2)C2CCS(=O)(=O)C2)CC1,BYXCVFANPATADE-UHFFFAOYSA-N
-rxn:2:127609:91308,CCC(Nc1c(C)c(C2(C)CC2)nn1CCN(C)C)C1CCC(F)(F)CC1,DLTQNIKKZBFQMH-UHFFFAOYSA-N
-rxn:2:128171:127862,CC(C)C(C)N(C)CC(NCC1(N(C)C)CCN(C)CC1)c1ccc[nH]1,XSWGTAYRBITMFS-UHFFFAOYSA-N
-rxn:2:128626:143973,CN1CCC(N(C)c2ncc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)s2)CC1,DSPWKUZWYBILNL-UHFFFAOYSA-N
-rxn:2:129222:126600,Cc1ccc(C(C)NC2CCN(c3ccc(C4CCOCC4)nn3)C2)c(OS(=O)(=O)F)c1,YDROPKUVEIIGCO-UHFFFAOYSA-N
-rxn:2:129281:140532,CC(C)c1nn(CCN(C)C)c2c1C(NCC1(F)CCSCC1)CCC2,LQVZWRKUFFJJDI-UHFFFAOYSA-N
-rxn:2:129949:154947,Cc1cc(=O)n(C)c(N2CCCC(NC(CN3CCC(N(C)C)CC3)c3c[nH]c4ccccc34)C2)n1,HOPVZCRDISOLKL-UHFFFAOYSA-N
-rxn:2:130655:159899,CCC(NC(C)c1ncc(-c2cccc(CN(C)C)c2)cc1OC)c1cnc(N2CCCCCC2)cc1C,RVVLCCQUOPJANX-UHFFFAOYSA-N
-rxn:2:130858:112995,Cc1nc(N2CCCC2)ncc1C(CCN(C)C)Nc1ccccc1N1CCC(C(C)(F)F)CC1,OSIMEZINDPHBGI-UHFFFAOYSA-N
-rxn:2:130940:140202,CC(NCc1ccc(CN2CCCC2C2CCCC2)o1)c1ccc(OS(C)(=O)=O)cc1,ALIZOYXNGLZYCL-UHFFFAOYSA-N
-rxn:2:131357:104514,CC(C)Oc1nc(C2CCN(C)CC2)ccc1NC(C)c1ccn(CCCN(C)C)c(=O)c1,QMFMZDLXNJLMEE-UHFFFAOYSA-N
-rxn:2:131357:119523,CC(C)Oc1nc(C2CCN(C)CC2)ccc1NC(CCCC1CCCCC1)c1ccccn1,SHNHWPWARFHHDZ-UHFFFAOYSA-N
-rxn:2:131442:141711,CCC(Nc1ccc(N2CCCC2)cc1OC)c1cnc(N2CCN(CC)CC2)c(C)c1,IPJDGDDUKSPRKR-UHFFFAOYSA-N
-rxn:2:131965:140202,CC(NC1CCOC2(C1)CN1CCC2CC1)c1ccc(OS(C)(=O)=O)cc1,VTLWEOSKBITDJI-UHFFFAOYSA-N
-rxn:2:132243:156075,CCOc1ccc2ccccc2c1C(CN1CCOCC1)NCc1ccnc(N2CCC(N(C)C)CC2)c1,WGGYNZDPFYSKDC-UHFFFAOYSA-N
-rxn:2:133271:162854,CC(NC1CCOC12CCN(C)CC2)c1ccc(-c2ccc(N3CCN(C)CC3)nc2)cn1,XTZGABUIXAHBTB-UHFFFAOYSA-N
-rxn:2:134281:143097,CC(NCC1CC2(CCN(C)CC2)C1)c1cccc(-c2ccnc(N3CCN(C)CC3)c2)n1,KASJNEFBLTYXNL-UHFFFAOYSA-N
-rxn:2:134281:149971,CC(NCC1CC2(CCN(C)CC2)C1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)ccn1,LJBAILFURXFEMS-UHFFFAOYSA-N
-rxn:2:135079:156195,CC(NC1CC2CCC(C1)N2C1CCOCC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,VZDARRGMHALSPQ-UHFFFAOYSA-N
-rxn:2:135536:143973,COc1cc(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ccc1OC1COC1,NTVNKYAVFOVEHR-UHFFFAOYSA-N
-rxn:2:136534:160431,CCc1ccc([C@@H](CC2CC2)NC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)s1,GQGMGOJUWSJTQG-NSQNTRMNSA-N
-rxn:2:136805:117752,CCC1CCN(CC(NCC2C(c3cnc(OC)nc3OC)C2(F)F)c2cc(C)[nH]c2C)CC1,FVOWMYGYMPNUSM-UHFFFAOYSA-N
-rxn:2:136805:134221,CCC(NCC1C(c2cnc(OC)nc2OC)C1(F)F)c1cnc(N2CCN(C)CC2)cc1C,JEVYZMXFBYKVSL-UHFFFAOYSA-N
-rxn:2:136805:155181,CCC(NCC1C(c2cnc(OC)nc2OC)C1(F)F)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,BDGGPEYPJLAOFG-UHFFFAOYSA-N
-rxn:2:137439:119754,CCC1C(F)(F)C12CCC(Nc1nn(CCN(C)C)c3c1C(C)CC3)CC2,ALYIMVDROIHXCM-UHFFFAOYSA-N
-rxn:2:137892:126600,Cc1ccc(C(C)NCc2cn(C3CCCC3)nc2C2CCCCC2)c(OS(=O)(=O)F)c1,RZQZGADRAPFBBD-UHFFFAOYSA-N
-rxn:2:138351:147220,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccccc2CN(C)C)s1,CNRQWGWPEPUSPW-UHFFFAOYSA-N
-rxn:2:138351:173268,COc1ccc(C(NCC2CCN(C3CCS(=O)(=O)C3)CC2)C(C)C)cc1-c1cccs1,INLMUCCVABBGRK-UHFFFAOYSA-N
-rxn:2:138363:167088,CCC(NCC1CCN(C2CCCN(C)CC2)CC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,KWBQMDHZIZEJRX-UHFFFAOYSA-N
-rxn:2:138546:119423,Cc1cc2c(n1CCN(C)C)CCCC2Nc1ccc(N2CCC(N(C)C)CC2)cn1,YYFPZEUGFWSVGI-UHFFFAOYSA-N
-rxn:2:139208:148941,CC(NCC1CCCN(C2CCN(C)CC2)C1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,CNYZJJRWGUQZBF-UHFFFAOYSA-N
-rxn:2:140318:156415,COc1ccc2cc(C(CC3=NCCO3)NC3CCCCC3OS(C)(=O)=O)ccc2c1,XXJQRRYQARPXBA-UHFFFAOYSA-N
-rxn:2:140318:169217,Cc1cc(-c2ccc(OC3CC3)cc2)c2c(c1)C(NC1CCCCC1OS(C)(=O)=O)CCO2,HGPXGFKTBAPUFM-UHFFFAOYSA-N
-rxn:2:141722:166041,COc1cc(C)cc(C2CC2CCNC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)c1,WHLOSXZADHYXPR-UHFFFAOYSA-N
-rxn:2:141795:143973,Cc1ccc(C2CC(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)CN2C2CC2)o1,LKKLMARDOQNWSL-UHFFFAOYSA-N
-rxn:2:143973:149872,Cc1noc2c(C3CCC(NC4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)CN3C)ccnc12,MOCDXISZQWSPRL-UHFFFAOYSA-N
-rxn:2:150894:116800,CC(NCCCc1cn(C)c2cc3c(cc12)CN(C)C3)c1ccc2c(c1)CCCN2CCN(C)C,GETYHODWPPLBFP-UHFFFAOYSA-N
-rxn:2:162497:136378,Cc1noc(-c2ccnc(N3CCC(NC4CCN(CCOS(C)(=O)=O)CC4)C3)c2)n1,PPCICRDIZAGKQP-UHFFFAOYSA-N
-rxn:2:164775:123810,CCC(Nc1cc(S(C)(=O)=O)c(=O)n(CCOC)c1)c1cnc(N2CCOCC2)c(C)c1,QABVXSBYZKWAPB-UHFFFAOYSA-N
-rxn:2:164775:134417,CCC(Nc1cc(S(C)(=O)=O)c(=O)n(CCOC)c1)c1ccc(N2CCOCC2)nc1C,CKCOOCVNRHRXPK-UHFFFAOYSA-N
-rxn:2:165554:144616,CC(C)c1nc2cc(C(CCN3CCCCC3)Nc3cnc4c(c3)oc(=O)n4C3CCN(C)CC3)ccc2[nH]1,KVFQEBRCZBFPLU-UHFFFAOYSA-N
-rxn:2:168779:119754,CCC1C(F)(F)C12CCC(Nc1c(CN(C)Cc3nccn3C)c(C)nn1C)CC2,IYDCOQYHYCEZBD-UHFFFAOYSA-N
-rxn:2:65896:126600,Cc1ccc(C(C)NC2CCN(Cc3ncoc3C3CCC3)CC2)c(OS(=O)(=O)F)c1,ZINMQGJCBLXRPL-UHFFFAOYSA-N
-rxn:2:66365:94656,CC(C)C1(F)CCC(NCCN2CCC(c3ccn(C)n3)CC2)CC1,FCPUIKJMYYFCBY-UHFFFAOYSA-N
-rxn:2:66427:91160,CN(C)CCN(C)C1CCC(Nc2c(C3CCC3)cnn2CC2CC2(F)F)CC1,HACZHTWCQJRTLE-UHFFFAOYSA-N
-rxn:2:66639:144000,COCc1cc(=O)n(C)c(N2CCC(NC3CCc4cc(-c5cnc(N6CCOCC6)nc5)ccc43)C2)n1,CEVJUDGWSUKBQW-UHFFFAOYSA-N
-rxn:2:67384:126600,Cc1ccc(C(C)NCc2cnnc(C34CC5CC(CC(C5)C3)C4)c2)c(OS(=O)(=O)F)c1,WQNIMZISGFUGFY-UHFFFAOYSA-N
-rxn:2:67474:129281,CCC1C(F)(F)C12CCC(NC1CCCc3c1c(C(C)C)nn3CCN(C)C)CC2,GVFVCCNZXDURQX-UHFFFAOYSA-N
-rxn:2:67548:70510,CC(C)c1nc(CCN(C)C)sc1C(C)NCC1(F)CCN(C)CC1,DQQVDWWBRYPOGG-UHFFFAOYSA-N
-rxn:2:67666:120702,CC(C)C1C(F)(F)C12CCC(NCc1cnn(C)c1CN(C)C)CC2,CVMWKGQCCMGEOO-UHFFFAOYSA-N
-rxn:2:68013:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC1(c2ccc(OC)c(OC)c2)CC1C,QLGAMWPKVCFNDK-UHFFFAOYSA-N
-rxn:2:68229:119754,CCC1C(F)(F)C12CCC(Nc1cn(CCN(C)C)nc1C1CCC1)CC2,AYFFWNVHDLSFGQ-UHFFFAOYSA-N
-rxn:2:68985:149971,CC(NCC1(N2CCN(C)CC2)CCN(C)CC1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)ccn1,KYAACQZXMUFUMP-UHFFFAOYSA-N
-rxn:2:69180:144085,CCc1cnn(CC2CC2(F)F)c1NC(C)c1cc2c(n(C3CC3)c1=O)CCN(CC)C2,ZMKNGPFPNFCBBB-UHFFFAOYSA-N
-rxn:2:69415:107393,CC1Cc2nc(N3CCN(C)CC3)ncc2C(Nc2ccc(OS(=O)(=O)F)c(C(C)C)c2)C1,QTFIBVSTNSVSFL-UHFFFAOYSA-N
-rxn:2:69415:112657,CC(C)c1cc(NC2CCN(c3ccc(C4CCN(C)C4)nn3)C2)ccc1OS(=O)(=O)F,VCFVINCZYVSTIK-UHFFFAOYSA-N
-rxn:2:69415:86390,CC(C)c1cc(NC2CCN(c3cncnc3OC3COC3)CC2)ccc1OS(=O)(=O)F,NRKVEULJDBYCII-UHFFFAOYSA-N
-rxn:2:69415:92135,CC1Cc2nc(N3CCSCC3)ncc2C(Nc2ccc(OS(=O)(=O)F)c(C(C)C)c2)C1,KWFPGVJLVUXHOD-UHFFFAOYSA-N
-rxn:2:69846:144886,CC(CCc1ccc2c(c1)nc(C1CCC1)n2C)NCC1(F)CCCN(C)CC1,NGVNAMGZECIFMX-UHFFFAOYSA-N
-rxn:2:69846:145413,CC(NCC1(F)CCCN(C)CC1)c1cccc(-c2ccc(N3CCN(C)CC3)nc2)n1,SWNNCXANBICUIM-UHFFFAOYSA-N
-rxn:2:69846:146975,Cc1nc(N2CCN(C)CC2)ccc1C(NCC1(F)CCCN(C)CC1)c1ccccc1,OSFKRUSQSANHPS-UHFFFAOYSA-N
-rxn:2:70510:110698,CC(CCCN(C)C(C)C)NCC1(F)CCN(C)CC1,WYRTUICZGVABBM-UHFFFAOYSA-N
-rxn:2:70683:121694,COCc1cc(OS(=O)(=O)F)ccc1NCC1CCCN1CCN(C)C,MCOJJNUAFWPAKY-UHFFFAOYSA-N
-rxn:2:70683:136378,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(CCOS(C)(=O)=O)CC1,ACMPFIDUDUTLFL-UHFFFAOYSA-N
-rxn:2:70683:86390,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(c2cncnc2OC2COC2)CC1,FOPQXKBRIDRRHM-UHFFFAOYSA-N
-rxn:2:70799:119754,CCC1C(F)(F)C12CCC(Nc1nn(CCN(C)C)cc1C1CCC1)CC2,OMYDPCQYFYFKGQ-UHFFFAOYSA-N
-rxn:2:71134:120702,CC(C)C1C(F)(F)C12CCC(Nc1cnc(OCCN(C)C)nc1)CC2,KHGSSYZOMZQDPN-UHFFFAOYSA-N
-rxn:2:71722:87172,CC(C)C1C(F)(F)C12CCC(NC(CN(C)C1CCN(C)CC1)c1cccn1C)CC2,ZTJJFIRIBKVUJO-UHFFFAOYSA-N
-rxn:2:71802:119754,CCC1C(F)(F)C12CCC(NC(C)c1cccn1CCN(C)C)CC2,NUXZIMVIHXGDKS-UHFFFAOYSA-N
-rxn:2:72102:88537,CCN1CCCCCC1CC(NCC(c1ccccn1)C1CCS(=O)(=O)C1)c1cccs1,FOBYFTQORBGKTQ-UHFFFAOYSA-N
-rxn:2:72109:164545,CC(Nc1cccc2c1CCN2CCN(C)C)c1ccc2c(c1)CCCN2CCN1CCOCC1,WYDCEOTVQRIALO-UHFFFAOYSA-N
-rxn:2:72120:120702,CC(C)C1C(F)(F)C12CCC(Nc1[nH]nc3c1CN(CCCN(C)C)CC3)CC2,CRJVVPNTSXJGGP-UHFFFAOYSA-N
-rxn:2:72474:151416,CCOc1ccc(CN2CCC(NC3CCC(Cc4ccc(S(C)(=O)=O)cc4)CC3)CC2)cn1,XPJACQUEHCXEKT-UHFFFAOYSA-N
-rxn:2:72574:122780,CC1CCC(N[C@H]2CCN(C)C[C@@H]2F)C(CN(C)Cc2nccn2C)C1,WOXMGLJWVGDHEG-CWCYWTJGSA-N
-rxn:2:72574:129617,CC1CCC(NCC2(N(C)C)CCSC2)C(CN(C)Cc2nccn2C)C1,NZMULSBXEYCOIV-UHFFFAOYSA-N
-rxn:2:72574:82509,CC1CCC(N[C@H]2CN(C)CC[C@@H]2F)C(CN(C)Cc2nccn2C)C1,CGJMOZJDLAVBIM-CWCYWTJGSA-N
-rxn:2:72574:92091,CC1CCC(NCC2(N(C)C)CCCSC2)C(CN(C)Cc2nccn2C)C1,BYVYRYUJLRVKIK-UHFFFAOYSA-N
-rxn:2:72606:119754,CCC1C(F)(F)C12CCC(Nc1cc(C(C)(C)C)nn1CCN(C)C)CC2,CBRZJONDAYLVBL-UHFFFAOYSA-N
-rxn:2:72606:83653,CC1C(F)(F)C12CCC(Nc1cc(C(C)(C)C)nn1CCN(C)C)CC2,RMJMDHYYKHRBJL-UHFFFAOYSA-N
-rxn:2:72660:78879,COc1cc(S(=O)(=O)C2CC2)cnc1NC(CCN1CCCC1)c1ccc2c(c1)OCCO2,KDZSTHZHFBUBHU-UHFFFAOYSA-N
-rxn:2:73080:77567,COc1ccc(NC2c3cccc(C)c3OCCC2CN2CCCC2)cc1OS(=O)(=O)F,KYOSKIPVVMAVTL-UHFFFAOYSA-N
-rxn:2:73697:107703,COc1ccc(C(CS(C)(=O)=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cc1,OIRSLYZRTVXISY-UHFFFAOYSA-N
-rxn:2:73981:140318,COc1cc(C(C)NC2CCCCC2OS(C)(=O)=O)ccc1OC(C)C,GOPWOBFDLSGMPC-UHFFFAOYSA-N
-rxn:2:74175:140318,COc1ccc(C(C)NC2CCCCC2OS(C)(=O)=O)cc1OC(C)C,AWTMJLXXRIGRDQ-UHFFFAOYSA-N
-rxn:2:74461:122881,CC(NCc1ccc(CN2CCS(=O)(=O)CC2)o1)c1ccccc1OCC1CCCN(C)C1,XRRAURFYYYUYGN-UHFFFAOYSA-N
-rxn:2:74461:143973,O=S1(=O)CCN(Cc2ccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)o2)CC1,HXNBLJRJXWVPKQ-UHFFFAOYSA-N
-rxn:2:75073:119754,CCC1C(F)(F)C12CCC(Nc1c3c(nn1CCCN(C)C)CCC3C)CC2,HYXHQLCYBGPEMB-UHFFFAOYSA-N
-rxn:2:75202:163379,Cc1ccc2c(c1)C(Nc1ccc(OS(C)(=O)=O)cc1)C(CN1CCN(C)CC1)CCO2,MFBZLESXSKVPDM-UHFFFAOYSA-N
-rxn:2:75827:136378,CC(NC1CCN(CCOS(C)(=O)=O)CC1)c1cc(C23CC4CC(CC(C4)C2)C3)no1,PUBHIIONIADCDV-UHFFFAOYSA-N
-rxn:2:76214:120702,CC(C)C1C(F)(F)C12CCC(Nc1cnc(N3CCCCC3)nc1N(C)C)CC2,DGQFNRVHDZDCPA-UHFFFAOYSA-N
-rxn:2:76310:79915,CN1CCC(N(C)c2ccnc(CCNC(c3cc[nH]c3)C3CCCCS3(=O)=O)n2)C1,ZTQZBEPGTVUIBJ-UHFFFAOYSA-N
-rxn:2:76735:136378,Cc1cccc(C(C)C)c1N1CCC(CCNC2CCN(CCOS(C)(=O)=O)CC2)C1,PPGYSGIZUSKLAN-UHFFFAOYSA-N
-rxn:2:78046:163379,Cc1ccc2c(c1)C(NCCOS(=O)(=O)c1cccs1)C(CN1CCN(C)CC1)CCO2,FUVHDMPILFVIIW-UHFFFAOYSA-N
-rxn:2:78105:114374,CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC2CC(C[Si](C)(C)C)C23CCC3)n1,AGSMLAIISZLXGI-YBXZHIRMSA-N
-rxn:2:78524:129281,CC(C)c1nn(CCN(C)C)c2c1C(NCC1C(F)(F)C13CCC3)CCC2,NOMYBZCJLCECNI-UHFFFAOYSA-N
-rxn:2:78524:91160,CN(C)CCN(C)C1CCC(NCC2C(F)(F)C23CCC3)CC1,OOPQLLBKBYUCON-UHFFFAOYSA-N
-rxn:2:78599:146538,COc1ccc(C(NCC2(c3ccc(OC)cn3)CCCCC2)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,UBCZCDAZMCEKEN-UHFFFAOYSA-N
-rxn:2:79246:136805,CCCn1ccnc(N2CCC(NCC3C(c4cnc(OC)nc4OC)C3(F)F)CC2)c1=O,MYUGJWTWGKVLMW-UHFFFAOYSA-N
-rxn:2:79257:117066,CC(NC1CC2CCC(C1)N2Cc1noc(C2CC2)n1)c1ccc(OS(=O)(=O)[O-])cc1,ZHUKYXGLXBWJJS-UHFFFAOYSA-M
-rxn:2:79800:154474,CS(C)(=O)=NS(=O)(=O)CCNC1CCc2c(-c3ccnc(N4CCOCC4)c3)cccc21,SGDLGVSUJYTFES-UHFFFAOYSA-N
-rxn:2:79800:156277,CS(C)(=O)=NS(=O)(=O)CCNC1CCc2ccc(-c3ccnc(N4CCOCC4)c3)cc21,VFSGGBULVUHQHU-UHFFFAOYSA-N
-rxn:2:79800:158917,CS(C)(=O)=NS(=O)(=O)CCNC(c1ccc(-c2cnn(C3CCOC3)c2)cc1)C1CC1,CGACQEWYVUKJLJ-UHFFFAOYSA-N
-rxn:2:79800:161396,CS(C)(=O)=NS(=O)(=O)CCNC1COc2ccc(-c3cnc(N4CCOCC4)nc3)cc21,PECWKDBNFHPZHB-UHFFFAOYSA-N
-rxn:2:79800:162246,CS(C)(=O)=NS(=O)(=O)CCNC1COc2cc(-c3ccc(N4CCOCC4)nc3)ccc21,RUGFVGDBEBNMHX-UHFFFAOYSA-N
-rxn:2:79868:120702,CC(C)C1C(F)(F)C12CCC(Nc1cccnc1OCCN(C)C)CC2,LGVTVDIEEJSPSG-UHFFFAOYSA-N
-rxn:2:80298:135965,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nc1cc(C3CC4(COC4)C3)[nH]n1)CC2,OLCHEOCNZMSKOD-UHFFFAOYSA-N
-rxn:2:80427:91308,CCC(Nc1c(C2CCC2)c(C)nn1CCN(C)C)C1CCC(F)(F)CC1,LRKCLXQOOVJMMJ-UHFFFAOYSA-N
-rxn:2:81793:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc(OCCN(C)C)nc1)CC2,JFWMFHJIBUZKNE-UHFFFAOYSA-N
-rxn:2:82712:119754,CCC1C(F)(F)C12CCC(Nc1ccc(N(C)CCN(C)C)cn1)CC2,JHVNCRXOCHDHBA-UHFFFAOYSA-N
-rxn:2:82712:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc(N(C)CCN(C)C)cn1)CC2,CMCSPGIIFHYAPT-UHFFFAOYSA-N
-rxn:2:83031:129281,CC(C)c1nn(CCN(C)C)c2c1C(NC1C(F)(F)C13CCC3)CCC2,LRVZDMBJDATALY-UHFFFAOYSA-N
-rxn:2:83860:163379,Cc1ccc2c(c1)C(Nc1cccc(OS(=O)(=O)F)c1)C(CN1CCN(C)CC1)CCO2,OXOGJVOXKPCZET-UHFFFAOYSA-N
-rxn:2:84386:154947,Cc1ccc(OCCN2CCCCC2)c(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)c1,SIYNZVZPPFNYQU-UHFFFAOYSA-N
-rxn:2:84819:166005,Cc1cc(N2CCC(CCNC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)CC2)no1,LDMQHCWDZQJMEO-UHFFFAOYSA-N
-rxn:2:84943:91160,CN(C)CCN(C)C1CCC(NCC2C(F)(F)C23CC3)CC1,KPHNCYBVEQEYQG-UHFFFAOYSA-N
-rxn:2:84946:163379,Cc1ccc2c(c1)C(NCc1ccc(OS(=O)(=O)F)cc1)C(CN1CCN(C)CC1)CCO2,ZOUMMOIACKRWQM-UHFFFAOYSA-N
-rxn:2:85050:140202,CC(NC1CC2CCC(C1)N2C1CCCC1)c1ccc(OS(C)(=O)=O)cc1,RXMRUDQKUGTXTN-UHFFFAOYSA-N
-rxn:2:85154:116889,CC(C)C(CNC1CCCCC1CCc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1,VRPQALBIZSMLED-UHFFFAOYSA-N
-rxn:2:85335:114374,CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC2CCOC3(CCC(N(C)C)CC3)C2)n1,GBCSHRVGVQWARU-NBPOTTGBSA-N
-rxn:2:85768:122881,COCc1cc(=O)[nH]c(N2CCC(NC(C)c3ccccc3OCC3CCCN(C)C3)CC2)n1,FFNJCFOAZVOJLS-UHFFFAOYSA-N
-rxn:2:85768:149333,COCc1cc(=O)[nH]c(N2CCC(NC(C)c3ccc(-c4ccc(N5CCCC5)nc4)cc3OC)CC2)n1,ZAFCQEIIGAZINI-UHFFFAOYSA-N
-rxn:2:85768:164265,COCc1cc(=O)[nH]c(N2CCC(NC(C)c3ccc(OC)c(-c4cnn(C5CCOC5)c4)c3)CC2)n1,PGEQZCAAIFRKPI-UHFFFAOYSA-N
-rxn:2:86109:134221,CCC(Nc1cccc(N2CCN(C)CC2)c1OC)c1cnc(N2CCN(C)CC2)cc1C,GWQOTGXEPNVBCS-UHFFFAOYSA-N
-rxn:2:86305:124940,CC(C)N1CCC(NCC2CC2c2cccc(S(C)(=O)=O)c2)CC1c1ccc2c(c1)OCO2,HOITZPJVMXIGCW-UHFFFAOYSA-N
-rxn:2:86393:119423,Cc1ccc(N2CCC(N(C)C)CC2)cc1NC1CCCc2c1cc(C)n2CCN(C)C,QYTKNEXTFALXRX-UHFFFAOYSA-N
-rxn:2:86393:127674,Cc1ccc(N2CCC(N(C)C)CC2)cc1NC1CCc2cc(N3CCN(C)CC3)ccc21,YFYDQSDQPJOLKF-UHFFFAOYSA-N
-rxn:2:86393:138698,CCn1ncc(C(C)Nc2cc(N3CCC(N(C)C)CC3)ccc2C)c1OCC1CC1,VVYUACZHZUNBMU-UHFFFAOYSA-N
-rxn:2:86416:130197,CCC(NCC1(C(C2CCN(C)CC2)N(C)C)CCC1)c1ccc(N2CCN(C)CC2)nc1C,POULKJDFNQDHIH-UHFFFAOYSA-N
-rxn:2:86416:135906,Cc1ccsc1-c1c[nH]c(C(C)NCC2(C(C3CCN(C)CC3)N(C)C)CCC2)n1,GMTGLOQYQWSXIN-UHFFFAOYSA-N
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-rxn:3:1887:65401:111610,O=C(NC1(COS(=O)(=O)[O-])CCCC1)c1cncc(N2CC(Cn3cc(-c4cncc5nccn45)nn3)CC2=O)n1,IWGAEXMPYPOAEZ-UHFFFAOYSA-M
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-rxn:3:3886:43417:84946,CN1CC(c2cn(C3C=CCC(C(=O)NCc4ccc(OS(=O)(=O)F)cc4)C3)nn2)C1,JSRRRAKDBWAHSO-UHFFFAOYSA-N
-rxn:3:40558:16782:71532,Cc1c(-c2cn(CC=Cc3cc(C(=O)NC4CC5(CCC(F)(F)CC5)C4)ccn3)nn2)cnn1CCN(C)C,QPPJONKBFMFFLY-UHFFFAOYSA-N
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-rxn:3:40560:16782:71532,Cc1c(-c2cn(CC=Cc3ccc(C(=O)NC4CC5(CCC(F)(F)CC5)C4)cn3)nn2)cnn1CCN(C)C,AAMMWUNKJUNLGO-UHFFFAOYSA-N
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-rxn:3:40560:16806:85069,CCc1c(-c2cn(CC=Cc3ccc(C(=O)NC4CCC(F)(F)CC4)cn3)nn2)cnn1CCN(C)C,BZAWEONQPBLLFC-UHFFFAOYSA-N
-rxn:3:40561:6404:75767,CN1CCCN(c2ncc(-c3cn(CC=Cc4ncccc4C(=O)N[C@@H]4COc5c4cccc5S(C)(=O)=O)nn3)cn2)CC1,KZKLEJFKIHZLLK-AREMUKBSSA-N
-rxn:3:40563:6403:83712,CN1CCN(c2ncc(-c3cn(CC=Cc4cnccc4C(=O)N[C@H]4COc5c4cccc5S(C)(=O)=O)nn3)cn2)CC1,XVGRVXGGZUORLV-VWLOTQADSA-N
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-rxn:3:40917:6403:91530,CN1CCN(c2ncc(-c3cn(CC=Cc4cnc(F)c(C(=O)NCCc5ccc(S(C)(=O)=O)cc5)c4)nn3)cn2)CC1,QTIBOLYMZCQXFY-UHFFFAOYSA-N
-rxn:3:40919:16782:130458,Cc1c(-c2cn(CC=Cc3cc(C(=O)NC4CC(F)(F)C45CCC5)c(F)cn3)nn2)cnn1CCN(C)C,VSXGQXIEGHFYPS-UHFFFAOYSA-N
-rxn:3:40919:6402:80241,COc1ccc(OC)c(C2(NC(=O)c3cc(C=CCn4cc(-c5cnc(N6CCCCCC6)nc5)nn4)ncc3F)COC2)c1,RCBWZZUGRWJNKZ-UHFFFAOYSA-N
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-rxn:3:40949:6404:133548,CN1CCCN(c2ncc(-c3cn(CC=Cc4ccc(CC(=O)NCc5ccc(S(C)(=O)=O)cc5)nc4)nn3)cn2)CC1,AKWBFTJMXPWFFN-UHFFFAOYSA-N
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-rxn:3:42889:6397:114752,COCCC1(CNC(=O)c2cc(F)ccc2C#CCn2cc(-c3cnc(N4CCCCC4)nc3)nn2)CCCOC1,DLHHLOUHQOLINE-UHFFFAOYSA-N
-rxn:3:43040:6402:114752,COCCC1(CNC(=O)c2cc(C#CCn3cc(-c4cnc(N5CCCCCC5)nc4)nn3)cnc2F)CCCOC1,YTFAKAWTJLBWCZ-UHFFFAOYSA-N
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-rxn:1:60343:11509,Cc1cccnc1N(Cc1cn(C2CCN(C(=O)C3CCCCC3)CC2)nn1)S(=O)(=O)c1cccs1,KJFAWYRIZRIESE-UHFFFAOYSA-N
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-rxn:1:60642:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCN(S(=O)(=O)c4cn(C)cn4)C3)nn2)CC1,VSABWWNIXCHKON-UHFFFAOYSA-N
-rxn:1:60658:27463,O=C1CC(c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)CN1c1ncc(-c2ccccc2)[nH]1,RTCVXAABXLBINH-UHFFFAOYSA-N
-rxn:1:60658:35408,Cc1nc(-c2cccnc2)sc1C(=O)NCc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)C2)nn1,HFBXAJGUFNKFCC-UHFFFAOYSA-N
-rxn:1:60862:11505,COCC1CN(C(=O)Cn2cc(CN(c3cc(C)ccn3)S(=O)(=O)c3cccs3)nn2)CC12CCC2,CTJHAFLJYBMLPF-UHFFFAOYSA-N
-rxn:1:60862:11513,COCC1CN(C(=O)Cn2cc(CN(c3cccc(Cl)n3)S(=O)(=O)c3cccs3)nn2)CC12CCC2,GINTWEVMJOXZEC-UHFFFAOYSA-N
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-rxn:1:60903:11513,COC1CCOC2(CCN(CCn3cc(CN(c4cccc(Cl)n4)S(=O)(=O)c4cccs4)nn3)C2)C1,BIOYSNAUYYSRGG-UHFFFAOYSA-N
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-rxn:1:61458:27721,O=C(c1ccc(Cn2cc(COc3ccc(N4CC(S(=O)(=O)F)CC4=O)cc3)nn2)s1)N1CCOCC1,SIMUPNKNYLIPGH-UHFFFAOYSA-N
-rxn:1:61478:15554,O=C(NC1CCS(=O)(=O)C1)c1ccc(Cn2cc(-c3cn(C4CCCC4)nc3CC3CC3)nn2)s1,WKVCLUIHOPAXLS-UHFFFAOYSA-N
-rxn:1:61478:17829,O=C(NC1CCS(=O)(=O)C1)c1ccc(Cn2cc(-c3cc(C(=O)C4CCCCC4)cc4c3NC(=O)C4C3CCCCC3)nn2)s1,XBSIAZMEFQVGPC-UHFFFAOYSA-N
-rxn:1:61481:39853,CC(C)(C)OC(=O)N1CCc2oc(-c3cn(Cc4ccc(C(=O)N5CCSCC5)s4)nn3)cc2C1,CFSKGLGVAKCDFF-UHFFFAOYSA-N
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-rxn:1:61493:21200,CCN1CCN(C(=O)c2ccc(Cn3cc(-c4cc(C5CCCCC5)nn4C(C)c4cccc(OC)c4F)nn3)s2)CC1,XKPCOJFJZOGRSC-UHFFFAOYSA-N
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-rxn:1:61731:9825,CCN1CCC2(CC1)CN(Cc1cn(CC(=O)Nc3cccnc3Cl)nn1)c1cc(OC)c(OC)cc1N2,ZUMBSZCVSHOFNH-UHFFFAOYSA-N
-rxn:1:61872:9672,C[Si](C)(C)Cn1cc(CN2C(=O)C3(C(C#N)=C(n4cccc4)N(c4ccc(F)c(Cl)c4)C4=C3C(=O)CCC4)c3ccccc32)nn1,SKTMWCYNKWPDSC-UHFFFAOYSA-N
-rxn:1:62297:4406,CCC(NCc1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1)c1ccc(Cl)c(Cl)c1,WOQIPPUDFSTEFG-UHFFFAOYSA-N
-rxn:1:62297:5737,CC(C)CC(Oc1ccccc1F)c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,SGYZCDXQVXYONN-UHFFFAOYSA-N
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-rxn:1:62316:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(-c2ccncc2Br)nn1,KJERWLIBMPKLEF-UHFFFAOYSA-M
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-rxn:1:63067:110,CC(C)c1ccc2c(N)c(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)sc2n1,PTOLRDGXHRGVKV-UHFFFAOYSA-N
-rxn:1:63067:12824,CN(C)C1(CN2CC(Cn3cc(-c4ccc(C(=O)Nc5ncc(Br)nn5)cc4)nn3)CC2=O)CCOCC1,UQNSLVNEHXGKND-UHFFFAOYSA-N
-rxn:1:63067:17487,CC(C)c1cc(Br)nn1Cc1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,BBDZRXBUWWITAE-UHFFFAOYSA-N
-rxn:1:63067:18538,CC(C)c1cn(CCF)nc1-c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,PWCAXZXVOROGLK-UHFFFAOYSA-N
-rxn:1:63067:18674,CC(C)c1nn(CCF)cc1-c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,RETYTEPXHLBYEH-UHFFFAOYSA-N
-rxn:1:63067:19300,CC(c1cc(F)ccc1[N+](=O)[O-])n1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cn1,BJTXDSODWFGGFH-UHFFFAOYSA-N
-rxn:1:63067:22645,CN(C)C1(CN2CC(Cn3cc(-c4cncc(-n5ncc(C#N)c5Cl)c4)nn3)CC2=O)CCOCC1,SFRRATRZZKUHJF-UHFFFAOYSA-N
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-rxn:1:63067:22856,CCCc1nn(-c2cncc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c2)c(Br)c1Br,ICAKPZVSGLBZHB-UHFFFAOYSA-N
-rxn:1:63067:22858,CCCc1nn(-c2cncc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c2)c(Br)c1I,YQGVEFMXEBHFCI-UHFFFAOYSA-N
-rxn:1:63067:22860,CCCc1nn(-c2cncc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c2)c(I)c1Br,BHJZHAVBWLYOTQ-UHFFFAOYSA-N
-rxn:1:63067:22861,CCCc1nn(-c2cncc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c2)c(I)c1Cl,CDMRPYJSEHEZTO-UHFFFAOYSA-N
-rxn:1:63067:22917,CN(C)C1(CN2CC(Cn3cc(-c4cncc(-n5nc(C6CNC6)c(Br)c5Br)c4)nn3)CC2=O)CCOCC1,JUIVYVCZMORDNB-UHFFFAOYSA-N
-rxn:1:63067:22919,CN(C)C1(CN2CC(Cn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Br)c4)nn3)CC2=O)CCOCC1,VVJJVGSREXVKPN-UHFFFAOYSA-N
-rxn:1:63067:22921,CN(C)C1(CN2CC(Cn3cc(-c4cncc(-n5nc(C6CNC6)c(Br)c5I)c4)nn3)CC2=O)CCOCC1,KBBZAVMFSPRNSP-UHFFFAOYSA-N
-rxn:1:63067:22922,CN(C)C1(CN2CC(Cn3cc(-c4cncc(-n5nc(C6CNC6)c(Cl)c5I)c4)nn3)CC2=O)CCOCC1,GZRNXIGJTNSSJC-UHFFFAOYSA-N
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-rxn:1:63067:28996,CN(C)C1(CN2CC(Cn3cc(COc4ccc(-n5[se]c6nccnc6c5=O)cc4)nn3)CC2=O)CCOCC1,ODZGTYMDSZEEMS-UHFFFAOYSA-N
-rxn:1:63067:31569,CN(C)C1(CN2CC(Cn3cc(-c4cc5nc(C6CC6)sc5cc4F)nn3)CC2=O)CCOCC1,IZQXUNCMAUWWPQ-UHFFFAOYSA-N
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-rxn:3:65549:6373:66021,Cc1cc(-c2cn(CC3CC(=O)N(c4nccnc4C(=O)NCC4(CS(C)(=O)=O)CCCC4)C3)nn2)n2ncnc2n1,SIYGAYAPTNJUIX-UHFFFAOYSA-N
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-rxn:3:65549:6405:69013,N#Cc1ncc(-c2cn(CC3CC(=O)N(c4nccnc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)cn1,JXVMXVKEAFWLKL-UHFFFAOYSA-N
-rxn:3:65549:6439:66021,Cn1cc(-c2csc(-c3cn(CC4CC(=O)N(c5nccnc5C(=O)NCC5(CS(C)(=O)=O)CCCC5)C4)nn3)c2)cn1,VGMMAUPRTYIMLU-UHFFFAOYSA-N
-rxn:3:65549:7660:69013,N#Cc1ccncc1-c1cn(CC2CC(=O)N(c3nccnc3C(=O)NC3(C4CCS(=O)(=O)C4)CCCCC3)C2)nn1,DAANQGNUXXSRKB-UHFFFAOYSA-N
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-rxn:3:7121:60588:85638,CC(C)C[C@H](C(=O)NC1C(C)CCCC1F)n1cc([C@@H]2C[C@@H]2CN(C)C)nn1,NDYNRRYNZWIHQG-XEMLHHLJSA-N
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-rxn:3:7196:47746:82940,CS(=O)(=O)[C@H]1CC[C@@H](CNC(=O)c2cn(C3CC3)c3c(F)c(-n4cc(-c5ccn6nccc6n5)nn4)c(F)cc3c2=O)CC1,JQWSYSUKNSPOKF-MAEOIBBWSA-N
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-rxn:3:7196:56509:86265,COc1cc(C(=O)NCC2(OC)CCCS(=O)(=O)C2)cc(C2CC2Cn2cc(-c3ccn4nccc4n3)nn2)c1,KQIXEHZBSSERNI-UHFFFAOYSA-N
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-rxn:3:7196:56514:111610,COc1cccc(C2CC2Cn2cc(-c3ccn4nccc4n3)nn2)c1C(=O)NC1(COS(=O)(=O)[O-])CCCC1,PWNBPRWYADMOQX-UHFFFAOYSA-M
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-rxn:3:7196:59852:106561,Cc1cc(S(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccn5nccc5n4)nn3)C2)CCO1,NCSRDSUEPYIUMQ-AHTUAUCYSA-N
-rxn:3:7196:59852:134099,O=C(NCCCS(=O)(=O)F)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccn5nccc5n4)nn3)C2)CCO1,GHBACSJTNYSHKS-LGJCEAAXSA-N
-rxn:3:7196:64729:111610,O=C(NC1(COS(=O)(=O)[O-])CCCC1)c1ccc(N2CC(Cn3cc(-c4ccn5nccc5n4)nn3)CC2=O)nc1,IGBRCEHJIWTWKN-UHFFFAOYSA-M
-rxn:3:7761:65401:92547,CC1(c2cn(CC3CC(=O)N(c4cncc(C(=O)Nc5ccc(OS(=O)(=O)F)cc5)n4)C3)nn2)CCCN1C1CC1,CXRASZJGYKPVFC-UHFFFAOYSA-N
-rxn:3:7851:49937:68255,CC(C)c1ccc(NC(=O)c2[nH]ncc2C2C(Cn3cc(C4(N(C)C)CCCC4)nn3)C2(F)F)s1,FAKWPPGAPJUVIL-UHFFFAOYSA-N
-rxn:3:7852:40295:112224,CC(NC(=O)Cc1cc(C=CCn2cc(C3(N(C)C)CCN(C)CC3)nn2)cs1)C1(F)CC1,ACIZYNFZQMWBHW-UHFFFAOYSA-N
-rxn:3:7852:41038:133988,CC(C)c1sccc1NC(=O)Cc1ccc(F)c(C=CCn2cc(C3(N(C)C)CCN(C)CC3)nn2)c1,BCAXWNHGUDTMGR-UHFFFAOYSA-N
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-rxn:3:7852:41046:133988,CC(C)c1sccc1NC(=O)Cc1cc(F)ccc1C=CCn1cc(C2(N(C)C)CCN(C)CC2)nn1,YZFJMOUFPGSSGQ-UHFFFAOYSA-N
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-rxn:3:8615:43074:86559,CCC(c1cn(CC#Cc2ccc(CC(=O)NC3C(F)(F)C34CC4)nc2)nn1)N(C)C,ZIHNJRIHLVTOKW-UHFFFAOYSA-N
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-rxn:3:9309:49937:75953,CCn1cc(-c2cn(CC3C(c4cn[nH]c4C(=O)NCC4(S(=O)(=O)CC)CCOCC4)C3(F)F)nn2)cn1,HGVYLNIUHXXADR-UHFFFAOYSA-N
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-rxn:2:100239:94264,CC(Cc1ccc(C(C)(C)C)cc1)CC(C)NCCC1CCCCCCC1,AZBNLJBSIXCUJM-UHFFFAOYSA-N
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-rxn:2:102879:144085,CCN1CCc2c(cc(C(C)NC3CCN(c4cccnc4C)CC3)c(=O)n2C2CC2)C1,QUSOMZNUYNTMNV-UHFFFAOYSA-N
-rxn:2:103020:144280,Cc1cc(C)c2c(c1)OCCC(CN1CCCCC1)C2Nc1cccc(OS(C)(=O)=O)c1,DZFJLWVHVILGRA-UHFFFAOYSA-N
-rxn:2:103232:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1(n2ccnc2)CCS(=O)(=O)CC1,FEIVNXKUUIWBBF-UHFFFAOYSA-N
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-rxn:2:104318:127653,CCC(C)n1ccnc1[C@H]1CC[C@H](NC(C)c2ccc(C)n(CCCOC)c2=O)CC1,BFNWJXONTBYARH-DBZUEJCPSA-N
-rxn:2:104602:141059,Cc1ccc(CCC(NCC2CC[Si](C)(C)CC2)C2CCCCC2)cc1,UISPKIFSGLIHNE-UHFFFAOYSA-N
-rxn:2:104974:144085,CCN1CCc2c(cc(C(C)NCc3cccc(N4CCC(OC)CC4)n3)c(=O)n2C2CC2)C1,ZQUBDMKIFBAULE-UHFFFAOYSA-N
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-rxn:2:106477:144280,CO[C@@H]1c2ccccc2C[C@H]1NC1c2c(C)cc(C)cc2OCCC1CN1CCCCC1,BPQUPLCZPLQZSC-BAZUWMLISA-N
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-rxn:2:107588:71429,CCN1CC(NC(c2ccc3c(c2)OCO3)C(C)CN2CCCC2)C(OC)C1,FHOKSGDBPQFKRG-UHFFFAOYSA-N
-rxn:2:107588:72407,CCN1CC(NC(c2ccccc2CN2CCOCC2)C2CCC2)C(OC)C1,QZBCEJAARAMHMW-UHFFFAOYSA-N
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-rxn:2:111941:149807,CC(C)C(NCCC1CCCN(C2CC2)C1C(C)C)c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1,UJAWXUQQGLAONY-UHFFFAOYSA-N
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-rxn:2:112123:69720,CCS(=O)(=O)c1cnc(NC(C)c2ccc(CN3CCOCC3)c(OC)c2)nc1C1CC1,WCAKDGQMMHUHQI-UHFFFAOYSA-N
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-rxn:2:113378:154927,Cc1cc(C(NOCC2CCN(C3CCS(=O)(=O)C3)CC2)c2ccccc2)cnc1N1CCN(C)CC1,PVGJJZMOBIXTEO-UHFFFAOYSA-N
-rxn:2:113378:165442,Cc1ccc(-c2cccc3c2C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CO3)s1,UYZIGHSIPFWKQN-UHFFFAOYSA-N
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-rxn:2:113378:171342,Cc1ccc(-c2ccc(C(NOCC3CCN(C4CCS(=O)(=O)C4)CC3)C3CC3)cc2)s1,VRVNHGJDFLZRHI-UHFFFAOYSA-N
-rxn:2:113378:171413,Cc1cc(-c2coc3ccccc23)c(C)c2c1CCCC2NOCC1CCN(C2CCS(=O)(=O)C2)CC1,NYZNVAIJJNEOJL-UHFFFAOYSA-N
-rxn:2:113378:172674,Cc1cc(-c2ccc(C(NOCC3CCN(C4CCS(=O)(=O)C4)CC3)C3CC3)cc2)cs1,RKUYWDUJIOZMQC-UHFFFAOYSA-N
-rxn:2:114360:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3N[C@@H]2C[C@H]2CN2CCCOCC2)cn1,VFLIFLNJDSVBJY-IQWVOLIVSA-N
-rxn:2:115548:166041,COc1ccc(OCC2CC2)cc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,NKNWCBLQMADWAK-UHFFFAOYSA-N
-rxn:2:115807:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1cccnc1N1CCC(C(C)(F)F)CC1,PXHGCLROHVXPLT-UHFFFAOYSA-N
-rxn:2:115807:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)Nc1cccnc1N1CCC(C(C)(F)F)CC1,OVYDARSVHAXDSO-UHFFFAOYSA-N
-rxn:2:115937:148922,CCN1CCC2(CCC(CCNC(C)c3sccc3-c3ccnc(S(C)(=O)=O)n3)CC2)CC1,FVCZKTISVFVUPM-UHFFFAOYSA-N
-rxn:2:116045:141059,Cc1cccc(CCC(NCC2CC[Si](C)(C)CC2)C2CCCCC2)c1,SIRKHUNHVIBQCG-UHFFFAOYSA-N
-rxn:2:116840:123092,COCCc1cc(N2CCC(NCCOc3ccc(N4CCOCC4)cc3)CC2)ncn1,HYMPIZYSOHLVJE-UHFFFAOYSA-N
-rxn:2:117359:149807,CC(C)C(NC1CCC(OCCN2CCCCC2)CC1)c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1,JTLWOHWRMKIBRP-UHFFFAOYSA-N
-rxn:2:117574:144280,CO[C@@H]1Cc2ccccc2[C@H]1NC1c2c(C)cc(C)cc2OCCC1CN1CCCCC1,RISPJYHXLKDAJC-GLPPDVOASA-N
-rxn:2:117736:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(CC3CCCCC3)nc2C2CC2)cn1,NAQMISNWUFHPDF-UHFFFAOYSA-N
-rxn:2:117881:155971,CC(Nc1cnn(CC2(CS(C)(=O)=O)CCC2)c1)c1ccnc(-c2ccnc(N3CCN(C)CC3)c2)c1,KXHGQWHYQJUCFW-UHFFFAOYSA-N
-rxn:2:118348:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)Nc1cn(CC2CC2(F)F)nc1C1CCC1,GUFGLKKBPNPGQM-UHFFFAOYSA-N
-rxn:2:119128:147883,COC1CN(c2ncccc2NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)CC1OC,MIWWBQHPRJVDBS-UHFFFAOYSA-N
-rxn:2:119643:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN(C2CCSCC2)C2CC2)cn1,NOPQCIUVRCDIJT-UHFFFAOYSA-N
-rxn:2:119882:164099,CC(NCC1CCCN(CC2CCN(C)C2)C1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,NCPXWAIMXBHYHQ-UHFFFAOYSA-N
-rxn:2:120592:147883,COCCN1CCN(c2ncccc2NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)CC1,HOJXNQDPDHWFGL-UHFFFAOYSA-N
-rxn:2:120674:147883,COCCc1ccc2c(c1)C(NC(C)c1cc3c(=O)[nH]c(N4CCOCC4)nc3nc1C)CCCO2,CRLYWXWQFWRASA-UHFFFAOYSA-N
-rxn:2:120869:153696,CCCC(NCC(F)(F)CN1CCN(C)C(C)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,USDSRWHUHUMEEF-UHFFFAOYSA-N
-rxn:2:121268:163337,CCCOC1(CNC(C)c2cc(-c3ccccc3OCC)n[nH]c2=O)CCC(C)(C)CC1,KYYVGGYCOJKCRP-UHFFFAOYSA-N
-rxn:2:121360:164678,COc1cc(NC2CCC(OS(=O)(=O)c3ccc(C)cc3)CC2)ccc1OCC1CCC1,HPTZXEWHRFKHNK-UHFFFAOYSA-N
-rxn:2:121360:166041,COc1cc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)ccc1OCC1CCC1,ASASZQVLWMETQI-UHFFFAOYSA-N
-rxn:2:121517:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCCC2N2CCCC2c2cccnc2)cn1,ZDTJYOKUFNZECK-UHFFFAOYSA-N
-rxn:2:121648:141059,Cc1ccccc1C(COCC1CCOCC1)NCC1CC[Si](C)(C)CC1,FSRMDDNYQCELRW-UHFFFAOYSA-N
-rxn:2:122186:147883,COCCN1CCCC(c2ccc(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)cc2)C1,CPELSAABHZEPSB-UHFFFAOYSA-N
-rxn:2:122274:162583,CCN1CCC2(CC1)CC(NC(c1ccc(-c3cnn(S(C)(=O)=O)c3)cc1)C1CC1)CCO2,VVMFWFPPIOLMSO-UHFFFAOYSA-N
-rxn:2:122412:147749,CCOc1ccc2ccccc2c1C(CN1CCCCC1)NCc1nccc(N2CCC(OC)CC2)n1,LDIVAOWTVJILPM-UHFFFAOYSA-N
-rxn:2:122730:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCC1(N(C)C)CN(C)c2ccc(C(C)C)cc21,GAUYQFGLGPSRBP-UHFFFAOYSA-N
-rxn:2:122756:130181,Cc1cccc(C(COCC2CCCCC2)NC2CC[Si](C)(C)CC2)c1,NGUVUDJHVSNAJN-UHFFFAOYSA-N
-rxn:2:122762:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1cnn(C2CC3(C2)CC(F)(F)C3)c1,GKLYXXQDGWFNRO-UHFFFAOYSA-N
-rxn:2:122953:141059,Cc1cccc(C(COCC2CCCO2)NCC2CC[Si](C)(C)CC2)c1,LHPULRHXCCIMRT-UHFFFAOYSA-N
-rxn:2:123308:125329,C=C=Cc1ccc(C(NC[C@@]23CCCN2C[C@H](OC)C3)C(C)C2CC2)cc1,QYHZSGUSOOLCNQ-KRPAFWCOSA-N
-rxn:2:123396:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(CC3CCCCC3)nc2C2CCC2)cn1,DXCMSGFYVDKOSQ-UHFFFAOYSA-N
-rxn:2:123461:140188,CN(C)c1ccc(CCc2cn(C)c(NC3CCC4(CC3)C(F)(F)C43CCC3)n2)cc1,MKJGPNQYKKQUAP-UHFFFAOYSA-N
-rxn:2:125222:144085,CCN1CCc2c(cc(C(C)Nc3ccnn3CCCN3CCCC3)c(=O)n2C2CC2)C1,CUJYJTGJXHXVMF-UHFFFAOYSA-N
-rxn:2:125573:164678,COc1ccc(CNC2CCC(OS(=O)(=O)c3ccc(C)cc3)CC2)cc1OC1CCCC1,BRVHXXGVZLIGSX-UHFFFAOYSA-N
-rxn:2:125573:166041,COc1ccc(CNC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)cc1OC1CCCC1,FTNWMFDVLXOQNR-UHFFFAOYSA-N
-rxn:2:125696:144472,CCCC(NCC1(F)CCN(C2CCC(C)CC2)CC1)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,ATHSUHXVPRSTGJ-UHFFFAOYSA-N
-rxn:2:126076:148296,CN(C)C(c1cccnc1)C1CCC(NC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1,WSEBTKBJSBARHQ-UHFFFAOYSA-N
-rxn:2:126098:148822,CN1CCCC(CNC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)C1c1cccs1,KHXDZHLZUWZLJA-UHFFFAOYSA-N
-rxn:2:126542:133426,COCCc1cc(N2CCC(NC(C)c3ccn(CCN4CCOCC4)c(=O)c3)CC2)ncn1,LZYWQHQFWRBPMV-UHFFFAOYSA-N
-rxn:2:127631:144085,CCN1CCc2c(cc(C(C)N[C@H]3CC[C@H](c4nccn4C(C)C)CC3)c(=O)n2C2CC2)C1,STTOQQGKFQYFET-RVZUZXSLSA-N
-rxn:2:127837:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2c(C3CCC3)c(C)nn2C2CCN(C)CC2)cn1,OHVQNLDQRSYWFD-UHFFFAOYSA-N
-rxn:2:127839:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC(C2CCN(C)CC2)C2CCCN(C)C2)cn1,XVSVHQNXCNYNCE-UHFFFAOYSA-N
-rxn:2:128294:166005,Cc1c(CN2CCC(CNC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)CC2)cnn1C,SMUFVLJTRICNQO-UHFFFAOYSA-N
-rxn:2:128480:161568,CCC(NC(C)c1cc2cc(C(C)C)ccc2oc1=O)C(C)N1CCC(OC)CC1,PGEYHKXYYWYVBO-UHFFFAOYSA-N
-rxn:2:128993:110753,CCC(NCc1ncccc1CN1CCC(OC)CC1)C1CCN(c2ccc3c(c2)OCO3)C1,YZHARTLMUGJPRR-UHFFFAOYSA-N
-rxn:2:129322:166041,COc1cc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)ccc1C1CCN(C)CC1,ACSVMFFIFCNKOS-UHFFFAOYSA-N
-rxn:2:129606:147883,COCC(Cc1ccc2c(c1)OCCO2)NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,RCLBPJYIZOQSQN-UHFFFAOYSA-N
-rxn:2:130181:141059,Cc1cccc(C(COCC2CCCCC2)NCC2CC[Si](C)(C)CC2)c1,UQMXCAINDAANIE-UHFFFAOYSA-N
-rxn:2:130791:155591,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NC3CCC(N4CCCC(CN(C)C)C4)C3)nc2)nc1,ANQJZOFXHJREEG-UHFFFAOYSA-N
-rxn:2:130944:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCCC2N(C)C2CCN(C)CC2)cn1,ZVXDPPAIEHHNKJ-UHFFFAOYSA-N
-rxn:2:131193:85544,CCOc1ccc(C(C)Nc2ccc(N3CCC(OC)CC3)nc2)cc1CN1CCOCC1,CZYXHZOACMBOOV-UHFFFAOYSA-N
-rxn:2:133426:145896,CCN1CCN(c2ncnc3[nH]nc(NC(C)c4ccn(CCN5CCOCC5)c(=O)c4)c23)CC1,HSOHAQJLBFJAIA-UHFFFAOYSA-N
-rxn:2:133615:154050,Cc1ccc2c(c1)OC1(CCC(F)(F)CC1)CC2Nc1cnc(N(C)C)nc1N1CCCCC1,RDOIAUNORLDWOD-UHFFFAOYSA-N
-rxn:2:133903:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(CC3CCCC3)nc2C2CCCC2)cn1,LFBZQXUYGFHEGZ-UHFFFAOYSA-N
-rxn:2:134037:130197,CCC(NOCCCN1CCCCC1)c1ccc(N2CCN(C)CC2)nc1C,KOJYYVFCVUWINT-UHFFFAOYSA-N
-rxn:2:136205:153696,CCCC(NCC(F)(F)CN1CCSC(C)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,CAHGGIPBDWTLPA-UHFFFAOYSA-N
-rxn:2:136580:149807,CC(C)C(NCCCN1CCC(N2CCSCC2)CC1)c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1,DOWSQTFSDTWMDP-UHFFFAOYSA-N
-rxn:2:136749:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(CC3CCC3)nc2C2CCCCC2)cn1,PATVYAVAYJABNE-UHFFFAOYSA-N
-rxn:2:136990:126600,Cc1ccc(C(C)Nc2cccc3c2CN(C2CCN4CCCC24)C3)c(OS(=O)(=O)F)c1,DQIIFRHRDPMHGP-UHFFFAOYSA-N
-rxn:2:137428:136817,CCC(CCN1CCCCC1)Nc1ccc(CCN2CCC(OC)CC2)cc1,YOJZRPLIPFDMRG-UHFFFAOYSA-N
-rxn:2:137524:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC[C@H]2CC[C@H](CN3CCC3)CC2)cn1,RRCPYLVKYLEJHI-YYSPQECZSA-N
-rxn:2:137630:132566,CO[C@@H]1C[C@H]2CC(NC(COC3CCCC3)c3ccc4c(c3)OCO4)[C@H]2C1,FJFMOEAYFIDWCE-PZIVEEAISA-N
-rxn:2:138055:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cnc(OCC3CCN(C4CC4)CC3)nc2)cn1,WZIMJIYMKLNPJK-UHFFFAOYSA-N
-rxn:2:138351:146011,CN(C)c1ncc(-c2ccc(C(NCC3CCN(C4CCS(=O)(=O)C4)CC3)C3CC3)cc2)cn1,WXRYAJVCBMFMTK-UHFFFAOYSA-N
-rxn:2:138351:147497,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cnc2ccc(-c3ccccc3CN(C)C)nn12,GIAVXNSADYROPF-UHFFFAOYSA-N
-rxn:2:138351:149971,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)ccn1,MJOCFEFGGCVYJH-UHFFFAOYSA-N
-rxn:2:138351:152707,COc1ccc(C(C)NCC2CCN(C3CCS(=O)(=O)C3)CC2)cc1-c1cc(=O)[nH]c(=O)[nH]1,DLXPNPUYBJLARG-UHFFFAOYSA-N
-rxn:2:138351:154927,Cc1cc(C(NCC2CCN(C3CCS(=O)(=O)C3)CC2)c2ccccc2)cnc1N1CCN(C)CC1,UDLUDQBRKDYFGO-UHFFFAOYSA-N
-rxn:2:138351:158038,COCOc1ccc(C)cc1-c1cccc2c1C(NCC1CCN(C3CCS(=O)(=O)C3)CC1)CO2,LPHMVBQLOQRKHQ-UHFFFAOYSA-N
-rxn:2:138351:160358,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cnc2ccc(-c3cccc(OC4CC4)c3)nn12,LECZSECPPSZOIT-UHFFFAOYSA-N
-rxn:2:138351:171342,Cc1ccc(-c2ccc(C(NCC3CCN(C4CCS(=O)(=O)C4)CC3)C3CC3)cc2)s1,LFJIGVWITVLBMO-UHFFFAOYSA-N
-rxn:2:138351:171413,Cc1cc(-c2coc3ccccc23)c(C)c2c1CCCC2NCC1CCN(C2CCS(=O)(=O)C2)CC1,SHQMJJIUUFAQOE-UHFFFAOYSA-N
-rxn:2:138363:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCN(C3CCCN(C)CC3)CC2)cn1,LQYMDFVRNVUQIY-UHFFFAOYSA-N
-rxn:2:138363:163337,CCOc1ccccc1-c1cc(C(C)NCC2CCN(C3CCCN(C)CC3)CC2)c(=O)[nH]n1,LSOJVARTGMWAGZ-UHFFFAOYSA-N
-rxn:2:138363:164099,CC(NCC1CCN(C2CCCN(C)CC2)CC1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,QIXCSAWNEWCQQN-UHFFFAOYSA-N
-rxn:2:138407:166041,COc1cc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)cc(C2CCCCC2)c1,ABPYSDUULMWHOP-UHFFFAOYSA-N
-rxn:2:138501:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCN(C)CC3)nc2C2CCC2)cn1,HMBGPKFIWIUMGE-UHFFFAOYSA-N
-rxn:2:139117:144280,CO[C@@H]1CCc2ccccc2[C@H]1NC1c2c(C)cc(C)cc2OCCC1CN1CCCCC1,TWUGMIVBWWWXBT-OZWALYDASA-N
-rxn:2:139179:144085,CCN1CCc2c(cc(C(C)Nc3ccc(N4CCN(CCOC)CC4)nn3)c(=O)n2C2CC2)C1,GRGASTWRIUEODO-UHFFFAOYSA-N
-rxn:2:139208:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCCN(C3CCN(C)CC3)C2)cn1,VHSPUVGMZUSQFL-UHFFFAOYSA-N
-rxn:2:139490:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cc(C3CCCC3)nn2CC2CCCC2)cn1,ZUGKVFKNSMASEF-UHFFFAOYSA-N
-rxn:2:139898:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cnn(C3CCCCC3)c2C2CCC2)cn1,ANWNAUYJVLMGCW-UHFFFAOYSA-N
-rxn:2:140012:150501,CCn1cnc2cc(-c3ccc4c(c3)C(NCCCN3CCC5(CC(OC)CCO5)C3)CC4)ccc21,MNZPXWXPZSNRDM-UHFFFAOYSA-N
-rxn:2:140126:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cn(CC3CCCC3)nc2CC2CCC2)cn1,FTEMXNMGSKCXOC-UHFFFAOYSA-N
-rxn:2:140297:166041,COc1cc(OCC2CCCC2)ccc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,NUXAVSXJBATLJW-UHFFFAOYSA-N
-rxn:2:140359:153696,CCCC(NCC(F)(F)CN1CCSC(C)C1C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,RXZVEGHIUUDOTJ-UHFFFAOYSA-N
-rxn:2:141114:147883,COCC(NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C)c1ccc(C2CCCCC2)cc1,JZMJUXJAOIEKSF-UHFFFAOYSA-N
-rxn:2:141638:144085,CCN1CCc2c(cc(C(C)Nc3cc(C4CC4)nn3CCOC)c(=O)n2C2CC2)C1,CYHGLBLBUQCDTK-UHFFFAOYSA-N
-rxn:2:142169:144472,CCCC(NC(CCN1CCCN(C)CC1)C(C)C)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,FCMPBNQWEDNDHE-UHFFFAOYSA-N
-rxn:2:142213:79757,CCOc1ccc(C(C)Nc2cnc(N3CCC(OC)CC3)nc2)cc1CN1CCCC1,SVTLFIDRGMIKKU-UHFFFAOYSA-N
-rxn:2:142235:149807,CC(CCCN1CCN2CCCC2C1)NC(c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1)C(C)C,WHUQVCFYZXAIPV-UHFFFAOYSA-N
-rxn:2:143973:149744,Cc1noc2ccc(C3CC(NC4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)CCN3C)nc12,ZNWVYLWCGWXEIP-UHFFFAOYSA-N
-rxn:2:143973:150495,Cc1onc2nccc(C3CC(NC4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)CCN3C)c12,LWUGELSKLXOHSK-UHFFFAOYSA-N
-rxn:2:144964:144085,CCN1CCc2c(cc(C(C)NC3CCN(C)C(c4cn(C)c5ccncc45)C3)c(=O)n2C2CC2)C1,OUWRLHWNYLEZRF-UHFFFAOYSA-N
-rxn:2:148797:69008,CC(C)c1cccc(-n2[nH]c(=O)cc2NC2CCCCC2N(C)C2CCS(=O)(=O)C2)n1,MPFFLLMVQGDICY-UHFFFAOYSA-N
-rxn:2:149341:144085,CCN1CCc2c(cc(C(C)Nc3nc4cc(C)ccc4n3C3CCCC3OC)c(=O)n2C2CC2)C1,SGXAELARFVURPU-UHFFFAOYSA-N
-rxn:2:149807:142235,CC(CCCN1CCN2CCCC2C1)NC(c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1)C(C)C,WHUQVCFYZXAIPV-UHFFFAOYSA-N
-rxn:2:154543:144085,CCN1CCc2c(cc(C(C)NCCc3nc4cccnc4n3C3CCCCC3)c(=O)n2C2CC2)C1,LUAFRQVJMFUYKG-UHFFFAOYSA-N
-rxn:2:155041:104010,CCN1CCN(c2nc(COC)c(C(C)Nn3ccc4nc(N5CCCCC5)ncc4c3=O)s2)CC1,YTQUFTJIBMMEEN-UHFFFAOYSA-N
-rxn:2:155950:144085,CCN1CCc2c(cc(C(C)NCC(C)c3nc4cccnc4n3C3CCCC3)c(=O)n2C2CC2)C1,YNGDKJQFBVCEEG-UHFFFAOYSA-N
-rxn:2:157350:144085,CCN1CCc2c(cc(C(C)NCC3CCN(c4cc(C)cc5ncnn45)CC3)c(=O)n2C2CC2)C1,HJKIYHGHVFYNOF-UHFFFAOYSA-N
-rxn:2:157500:144085,CCN1CCc2c(cc(C(C)NC3CCCN(c4nccn5nc(C)cc45)C3)c(=O)n2C2CC2)C1,ZORCACXEHOVPMQ-UHFFFAOYSA-N
-rxn:2:167252:144085,CCN1CCc2c(cc(C(C)NCCc3nc4cccnc4n3C3CCCC3)c(=O)n2C2CC2)C1,FPSDWYDQYJELKA-UHFFFAOYSA-N
-rxn:2:168415:144085,CCN1CCc2c(cc(C(C)NC3CCN(C)C(c4cn(C)c5ncccc45)C3)c(=O)n2C2CC2)C1,GCEJCGUPOCESFY-UHFFFAOYSA-N
-rxn:2:65896:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCN(Cc3ncoc3C3CCC3)CC2)cn1,NLRVPXVZLYBCJT-UHFFFAOYSA-N
-rxn:2:66228:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCCC2N2CCCN(C)CC2)cn1,FNQGKPFILMXKDP-UHFFFAOYSA-N
-rxn:2:66373:147749,CCOc1ccc2ccccc2c1C(CN1CCCCC1)NC[C@@H]1C[C@H](OC)CN1c1ccncn1,FVUAIDXIYPKWBX-OKHNBNEASA-N
-rxn:2:66905:140202,CC(NC1CCC(N(C)C2CCCCC2)CC1)c1ccc(OS(C)(=O)=O)cc1,VSWXGEPXZDSCCY-UHFFFAOYSA-N
-rxn:2:67729:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCC(CC3CCN(C)CC3)CC2)cn1,RZTIJKFGSMYWJD-UHFFFAOYSA-N
-rxn:2:67969:136302,CCCC(NCC(OC)c1ccc2c(c1)OCCO2)C1CC2(CCC2)C1,YHOMNBBHEZMFRU-UHFFFAOYSA-N
-rxn:2:67969:144085,CCN1CCc2c(cc(C(C)NCC(OC)c3ccc4c(c3)OCCO4)c(=O)n2C2CC2)C1,FZIQKWAZFKETDI-UHFFFAOYSA-N
-rxn:2:68439:148941,CC(NCC1CCN(C2CCN(C)CC2)C1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,RQSMUTSHEUEUIJ-UHFFFAOYSA-N
-rxn:2:68446:148870,CCN1CCN(CC(NC2CCN(c3cnn(CC)c(=O)c3)C2)c2c(C)[nH]c3ccccc23)CC1,DQADJXPYQDDYLD-UHFFFAOYSA-N
-rxn:2:68577:149807,CC(C)C(NCCCN1CCC(N2CCCC2)CC1)c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1,KILIUBUPJADXLJ-UHFFFAOYSA-N
-rxn:2:68603:137483,COC(CNC(c1ccc(C)cc1)C(C)OCC(C)C)C1CCCSC1,VTWCHUYGAGPKPW-UHFFFAOYSA-N
-rxn:2:68654:153696,CCCC(NC1CCN(C2CCC(OC)CC2)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,DDRGKSDIKPNYKM-UHFFFAOYSA-N
-rxn:2:68826:136378,CN1CCN(c2cccc(CCNC3CCN(CCOS(C)(=O)=O)CC3)n2)CC1,QRFKIRMEDFCHTG-UHFFFAOYSA-N
-rxn:2:69008:112832,CN(C1CCS(=O)(=O)C1)C1CCCCC1NCCC1CC1c1ccc(-c2cccs2)s1,GDTVMTLUPRIRLG-UHFFFAOYSA-N
-rxn:2:69008:89798,CN(C1CCS(=O)(=O)C1)C1CCCCC1NCC1CC1c1ccc(-c2cccs2)s1,FVBKFWVIWYACPW-UHFFFAOYSA-N
-rxn:2:69057:126076,CC(C)c1cc(C(C)C)c(C(C)NC2CCC(C(c3cccnc3)N(C)C)CC2)c(=O)[nH]1,WYBFGLRAALSGRW-UHFFFAOYSA-N
-rxn:2:69057:128993,COC1CCN(Cc2cccnc2CNC(C)c2c(C(C)C)cc(C(C)C)[nH]c2=O)CC1,MKTXSPXHLPASPU-UHFFFAOYSA-N
-rxn:2:69356:134954,CCC(Nc1cccc2c1CCN(C(C)CCOC)C2)C1CCN(C(C)C2CC2)CC1,PDHICCIKYJHIEZ-UHFFFAOYSA-N
-rxn:2:69553:143973,CN1CCC(Oc2ccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nn2)CC1,JQYFNJIDMVTVCB-UHFFFAOYSA-N
-rxn:2:69619:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC[C@H]2CC[C@H](CN3CCCC3)CC2)cn1,YMVJBNJBWOGVBH-YOQWSDCESA-N
-rxn:2:69924:147883,CCOC1CN(c2ncccc2NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)CC1OC,FXZBUAAGFCKMEH-UHFFFAOYSA-N
-rxn:2:70021:144085,CCN1CCc2c(cc(C(C)NCCSc3nccn3C3CCCC3)c(=O)n2C2CC2)C1,ZKGJZPYSPCOPBH-UHFFFAOYSA-N
-rxn:2:70140:126600,Cc1ccc(C(C)NC2COCC2N2CCN(C)CC2)c(OS(=O)(=O)F)c1,YNIGMRASPNFWSG-UHFFFAOYSA-N
-rxn:2:70460:166005,Cc1ccc(C)c(CC2CCN(CCNC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)CC2)c1,RBGFZZRUMDDGCR-UHFFFAOYSA-N
-rxn:2:70472:147270,CC(NC1CCN(C2CCN(C3CC3)C2)CC1)c1sccc1-c1ccc(S(C)(=O)=O)nc1,GCNTZHDFQJIMML-UHFFFAOYSA-N
-rxn:2:70482:147270,CC(NC1CCN(C2CCN3CCCC23)C(C)C1)c1sccc1-c1ccc(S(C)(=O)=O)nc1,HGPSWYKDLRNRQR-UHFFFAOYSA-N
-rxn:2:70482:157448,CC(NC1CCN(C2CCN3CCCC23)C(C)C1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,RCSMFDGAVDJKDI-UHFFFAOYSA-N
-rxn:2:70683:93675,COCc1cc(OS(=O)(=O)F)ccc1NC1CCC(N2CCN(Cc3ccccc3)CC2)CC1,HVCAZXKPRQSSMS-UHFFFAOYSA-N
-rxn:2:71027:148941,CC(NCC1CN(C2CCCCCC2)CCCN1C)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,LAZSGXJQMIRPQB-UHFFFAOYSA-N
-rxn:2:71027:156195,CC(NCC1CN(C2CCCCCC2)CCCN1C)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,PAIRIGQXQRKZRI-UHFFFAOYSA-N
-rxn:2:71242:151585,CCC(NCc1c(CN2CCOCC2)oc2ccccc12)C1CCC(OC)CC1,YKHWHHNJRQALHU-UHFFFAOYSA-N
-rxn:2:71722:145142,CC(C)C1C(F)(F)C12CCC(NC(N=CN(C)C)c1cc(C(=O)c3ccccc3)c[nH]1)CC2,FTXVMDNLAZCMRM-UHFFFAOYSA-N
-rxn:2:71722:149791,CC(C)C1C(F)(F)C12CCC(NC(/N=C/N(C)C)c1cc(C(=O)c3ccccc3)c[nH]1)CC2,FTXVMDNLAZCMRM-OKCVXOCRSA-N
-rxn:2:71758:128480,CCC(NC(C)c1cccn(CCC(C)C)c1=O)C(C)N1CCC(OC)CC1,XVPZFFUPOYHZPT-UHFFFAOYSA-N
-rxn:2:72247:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cc(CC3CCC3)nn2CC2CCCC2)cn1,UCFBKVQLSPOIBC-UHFFFAOYSA-N
-rxn:2:72330:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CC[C@@H](N(C)C3CC3)C2)cn1,YFBSOCOXUZWEET-LETIRJCYSA-N
-rxn:2:72526:160431,CCN(CC)c1cc(NC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)nc(C2CC2)n1,ASHSXLIHMIHWLD-UHFFFAOYSA-N
-rxn:2:72660:102314,COc1cc(S(=O)(=O)C2CC2)cnc1NC1CCN(CCOc2ccc(C)cc2C)CC1,LKVOLGAJMLSGQD-UHFFFAOYSA-N
-rxn:2:72687:144085,CCN1CCc2c(cc(C(C)Nc3ccc(N4CCC(COC)CC4)nc3)c(=O)n2C2CC2)C1,IOWDTQRPLMDARO-UHFFFAOYSA-N
-rxn:2:72977:164678,COc1cc(CNC2CCC(OS(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC1CCCC1,LUQBSFQNEHHKPU-UHFFFAOYSA-N
-rxn:2:73080:118123,COc1ccc(NC(c2ccc(CN3CCSCC3)cc2)C2CCCC2)cc1OS(=O)(=O)F,AATFZEYRAHCMMO-UHFFFAOYSA-N
-rxn:2:73080:126194,COc1ccc(NC(c2ccc(CN3CCCCC3)cc2)C2CCC2)cc1OS(=O)(=O)F,YJXPJPOTPNJRMV-UHFFFAOYSA-N
-rxn:2:73080:137443,COc1ccc(NC(c2ccccc2CN2CCCC2)C2CCCCC2)cc1OS(=O)(=O)F,UOTXWUGYWCHFKV-UHFFFAOYSA-N
-rxn:2:73080:77940,COc1ccc(NC2CCC([C@H]3CC[C@H](c4ccc(C)cc4)CC3)CC2)cc1OS(=O)(=O)F,NJTXCLQSXKISEV-BZKVGYQJSA-N
-rxn:2:73080:77973,COc1ccc(NC2CCC(C3CCC(c4ccc(C)cc4)CC3)CC2)cc1OS(=O)(=O)F,NJTXCLQSXKISEV-UHFFFAOYSA-N
-rxn:2:73080:85920,COc1ccc(NC(c2ccccc2CN2CCCCC2)C2CCCC2)cc1OS(=O)(=O)F,MKIDYZYTQIRGHU-UHFFFAOYSA-N
-rxn:2:73080:95271,COc1ccc(NC(c2ccccc2CN2CCCCC2)C2CCCCC2)cc1OS(=O)(=O)F,MSWAPBCBSBHIOR-UHFFFAOYSA-N
-rxn:2:73534:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cn(CC3CCCC3)nc2CC2CCCC2)cn1,GNBONFVBYNKHHC-UHFFFAOYSA-N
-rxn:2:73631:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cn(CC3CCC3)nc2C2CCCCC2)cn1,ORIDZMYTGNHTSP-UHFFFAOYSA-N
-rxn:2:73657:142719,COCC1C(F)(F)C12CCC(NC(C)c1c(N3CCN(C)CC3)[nH]c3c(C)ccc(C)c13)CC2,UZQXGFJDEPKVCJ-UHFFFAOYSA-N
-rxn:2:73657:166857,COCC1C(F)(F)C12CCC(NC(CSc1n[nH]c(=O)[nH]c1=O)c1ccc(C)cc1)CC2,DDNJKMNHQIBVRA-UHFFFAOYSA-N
-rxn:2:74807:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cc(C3CCCCC3)n(CC3CCC3)n2)cn1,VCEIDIQKZUHNOU-UHFFFAOYSA-N
-rxn:2:75039:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)Nc1ccc(N2CCCC(C(C)(F)F)C2)nc1,QJRFTMILVRHKHC-UHFFFAOYSA-N
-rxn:2:76057:144472,CCCC(NCC1(CN(C)C2CCS(=O)(=O)C2)CCC1)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,WJOWAORXYFZQFV-UHFFFAOYSA-N
-rxn:2:76057:151465,CN(CC1(CNC(c2ccc(N3CCOCC3)o2)c2cccs2)CCC1)C1CCS(=O)(=O)C1,JJJUFYUOTJCEPY-UHFFFAOYSA-N
-rxn:2:76179:172083,CO[C@H]1CC[C@@H](CCCNC(c2ccccc2)c2ccc(N3CCCCCC3)nc2C)CC1,IZJPDYXDIXHYKQ-BHEHOSCNSA-N
-rxn:2:76229:121648,Cc1ccccc1C(COCC1CCOCC1)NCC1CCC[Si](C)(C)CC1,GZTZQWSBSORPIW-UHFFFAOYSA-N
-rxn:2:76229:122953,Cc1cccc(C(COCC2CCCO2)NCC2CCC[Si](C)(C)CC2)c1,IPKZHEVJBFHATD-UHFFFAOYSA-N
-rxn:2:76229:128437,Cc1cccc(CCC(NCC2CCC[Si](C)(C)CC2)C2CCCC2)c1,HUNXDUXLVKHIHC-UHFFFAOYSA-N
-rxn:2:76532:136776,CCC(Cc1nc2ccccc2o1)NCCCN1CCC2(CC1)CC(OC)CCO2,PSGVCDHNLFIWKN-UHFFFAOYSA-N
-rxn:2:76532:143485,COC1CCOC2(CCN(CCCNC3COc4ccc(-c5cc(C)cc6cccnc56)cc43)CC2)C1,NWPVGBOIYAWZFK-UHFFFAOYSA-N
-rxn:2:76532:155181,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,RUIMOJQLQTXXSC-UHFFFAOYSA-N
-rxn:2:76532:158066,CCn1c(-c2ccccc2C(C)NCCCN2CCC3(CC2)CC(OC)CCO3)nc2ccccc21,XBUYHCQOPAOGTJ-UHFFFAOYSA-N
-rxn:2:76532:165804,CCn1nccc1-c1ccc2scc(C(C)NCCCN3CCC4(CC3)CC(OC)CCO4)c2c1,QNRRCSPTYPPQOH-UHFFFAOYSA-N
-rxn:2:76532:170270,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2cc3ccccc3[nH]2)cc1,HQVOBGMTXMAKHS-UHFFFAOYSA-N
-rxn:2:76532:171826,CCc1ccc(C(NCCCN2CCC3(CC2)CC(OC)CCO3)c2cnc3ccccc3c2)cc1,SYSADDGRARWUJQ-UHFFFAOYSA-N
-rxn:2:76975:83490,CCCC(C(NCc1ccc(N2CCC(OC)CC2)cc1)c1ccc2c(c1)CCO2)N1CCCC1,LVXGQUSOHWMUFI-UHFFFAOYSA-N
-rxn:2:77186:144472,CCCC(NCC(C1CCCC1)N1CCC(OC)CC1)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,YVZLBEZLFOLVAF-UHFFFAOYSA-N
-rxn:2:77220:108796,COCCn1c2c(cc(CNC(CN3CCCCC3)c3ccc4c(c3)OCO4)c1=O)CCCC2,IXYUPVBJXTUHDL-UHFFFAOYSA-N
-rxn:2:77424:166041,COc1cc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)ccc1C1CCCCC1,XSLPROWBYZXOCV-UHFFFAOYSA-N
-rxn:2:77867:144472,CCCC(NC1CCN(C2CCCC2OC)CC1C)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,UZKULQOYIARZLB-UHFFFAOYSA-N
-rxn:2:78322:166041,COc1cc(OCC2CC2)ccc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,MCPYLTLMMDSEGA-UHFFFAOYSA-N
-rxn:2:78504:122953,COCc1cc(=O)[nH]c(N2CCCC(NC(COCC3CCCO3)c3cccc(C)c3)C2)n1,BNYFKKKQXDJORH-UHFFFAOYSA-N
-rxn:2:79593:144085,CCN1CCc2c(cc(C(C)NCC3CC(OC)CN3c3ccncn3)c(=O)n2C2CC2)C1,OSLQXRFVYDIPKR-UHFFFAOYSA-N
-rxn:2:79674:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCC2CCN(C3CCN(C)CC3)CC2)cn1,LRERDGANGMUVDT-UHFFFAOYSA-N
-rxn:2:79778:124533,COCC1C(F)(F)C12CCC(Nc1cc(=O)[nH]n1CCCN(C)C)CC2,SATWDQGOMDKXIN-UHFFFAOYSA-N
-rxn:2:81807:153696,CCCC(NCC(F)(F)CN1CCSC(C)(C)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,VKLKDMNPLDCWSG-UHFFFAOYSA-N
-rxn:2:83192:155591,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NC3CCC(N4CCC(CN(C)C)CC4)C3)nc2)nc1,FBSGXZDNDVPUDI-UHFFFAOYSA-N
-rxn:2:83774:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cn(CC3CCCCC3)nc2C2CCC2)cn1,JLGKVQNMJNIZGP-UHFFFAOYSA-N
-rxn:2:84875:121648,Cc1ccccc1C(COCC1CCOCC1)NC1CCC[Si](C)(C)CC1,RCUKHVPNLCMCSL-UHFFFAOYSA-N
-rxn:2:84906:146011,CN(C)c1ncc(-c2ccc(C(NCC3CCCN(C4CCS(=O)(=O)C4)C3)C3CC3)cc2)cn1,BWUAUGJEMVHRRK-UHFFFAOYSA-N
-rxn:2:84906:154927,Cc1cc(C(NCC2CCCN(C3CCS(=O)(=O)C3)C2)c2ccccc2)cnc1N1CCN(C)CC1,SVDWLNZRXLBPIG-UHFFFAOYSA-N
-rxn:2:84906:158038,COCOc1ccc(C)cc1-c1cccc2c1C(NCC1CCCN(C3CCS(=O)(=O)C3)C1)CO2,XIRDYRYYNJTNBS-UHFFFAOYSA-N
-rxn:2:84982:169424,CCCn1ccnc(N2CCC(NC(C)c3ccc(-c4cnc(OCC(C)C)c(C)c4)cc3C)CC2)c1=O,DTRFUQDYQQVXOS-UHFFFAOYSA-N
-rxn:2:85140:96130,CC(CNC(C)c1ncccc1OCC1CC1)COC1CCN(C)CC1,NZHMHWSWVACDAY-UHFFFAOYSA-N
-rxn:2:85721:166041,COc1cc(OC2CCCCC2)ccc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,GHVJSHFDZMEXQR-UHFFFAOYSA-N
-rxn:2:85768:155490,COCc1cc(=O)[nH]c(N2CCC(NC(CN3CCCCC3)c3c(OC)ccc4ccccc34)CC2)n1,XYBLAUIJHNGHLM-UHFFFAOYSA-N
-rxn:2:86076:162907,C=C=Cc1ccc(C(C)NCC2(C)CC(C)(C)CC(F)(F)C2)c(-c2cc(=O)[nH]cc2OC)c1,MZLKZLFTDGWYDO-UHFFFAOYSA-N
-rxn:2:86570:123092,COCCc1cc(N2CCC(NCc3ccn(CCN4CCCC4)c(=O)c3)CC2)ncn1,HERKCZLYGFVQKA-UHFFFAOYSA-N
-rxn:2:86570:86695,CCC(NCc1ccn(CCN2CCCC2)c(=O)c1)c1ccc(N2CCN(CC)CC2)nc1,OFSGMTKSBAZJSZ-UHFFFAOYSA-N
-rxn:2:87017:164678,COc1ccc(NC2CCC(OS(=O)(=O)c3ccc(C)cc3)CC2)cc1OC1CCCC1,UUEDLRLZMAIULH-UHFFFAOYSA-N
-rxn:2:87017:166041,COc1ccc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)cc1OC1CCCC1,QFYPHNPQOXQGNN-UHFFFAOYSA-N
-rxn:2:87024:153696,CCCC(NCC(C1CC1)N1CCC(OC)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,MXRSPBWYBRZOPM-UHFFFAOYSA-N
-rxn:2:87378:149145,COc1ccc(C(CCN2CCCCC2)NCC2CCN(c3nccn(C)c3=O)CC2)c2ccccc12,GAUPNILTTIRSKE-UHFFFAOYSA-N
-rxn:2:87402:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)Nc1cccnc1N1CCCC(C(C)(F)F)C1,BESIKGCCTZFSKD-UHFFFAOYSA-N
-rxn:2:87569:152317,CC(NC[C@H]1CCCN(C2CC2)[C@@H]1c1ccnn1C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2,DFEFEZXQMWTJAZ-SDLIMDCZSA-N
-rxn:2:87569:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC[C@H]2CCCN(C3CC3)[C@@H]2c2ccnn2C)cn1,NPBMWRYEXRPSJJ-LSPMSWQKSA-N
-rxn:2:88519:164678,COc1cc(C2CCCN(C)C2)ccc1NC1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1,ZGAGTAUYVBBQMG-UHFFFAOYSA-N
-rxn:2:88537:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(c1ccccn1)C1CCS(=O)(=O)C1,HOLXYVYLDCQOKW-UHFFFAOYSA-N
-rxn:2:88607:163337,CCOc1ccccc1-c1cc(C(C)NCC2(N(C)C)CCN(C3CCCCCC3)C2)c(=O)[nH]n1,AEURHXCDSKLRSL-UHFFFAOYSA-N
-rxn:2:89147:148941,CC(NCC1CCN(C2CCN(C)CC2)CC1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,ZWCPMCOMNJQYNQ-UHFFFAOYSA-N
-rxn:2:89147:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCN(C3CCN(C)CC3)CC2)cn1,CAQHJFQYEVNJHW-UHFFFAOYSA-N
-rxn:2:89147:164099,CC(NCC1CCN(C2CCN(C)CC2)CC1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,YLWMFNVLLSCSIY-UHFFFAOYSA-N
-rxn:2:89864:144085,CCN1CCc2c(cc(C(C)Nc3ccc4c(c3)OCC(OC)CO4)c(=O)n2C2CC2)C1,SRLNPNLAZUAODF-UHFFFAOYSA-N
-rxn:2:90023:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(c2ccccc2)CC[Si](C)(C)CC1,GDXVCKVUWCYPNP-UHFFFAOYSA-N
-rxn:2:90478:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCCCN3C)nc2C2CC2)cn1,HJPGHGNZDXBAQG-UHFFFAOYSA-N
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-rxn:2:90507:147883,COCCN1CCN(c2ccccc2NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)CC1,MDEIVFBPGNFTHP-UHFFFAOYSA-N
-rxn:2:90636:147883,CO[C@@H]1CCN(c2nccc(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)n2)C[C@@H]1F,DGKHRWHOYWTWBR-GGUZCGDUSA-N
-rxn:2:90756:102314,COc1cc(NC2CCN(CCOc3ccc(C)cc3C)CC2)ncc1S(=O)(=O)C1CC1,OCENXCZGYWXMCA-UHFFFAOYSA-N
-rxn:2:90756:111563,COc1ccc(C(C)Nc2cc(OC)c(S(=O)(=O)C3CC3)cn2)cc1OCC1CCOCC1,ITQOSXIAXXXCHQ-UHFFFAOYSA-N
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-rxn:2:93727:144085,CCN1CCc2c(cc(C(C)Nc3ccc(N4CCC(OC)CC4)cn3)c(=O)n2C2CC2)C1,ZDXKIMWIZBOYMB-UHFFFAOYSA-N
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-rxn:2:97227:90924,CCOCC1CCCN(c2ccc(NC(CN3CCC(CC)CC3)c3ccn(C)c3)cn2)C1,KGUCLNIIKKUEMQ-UHFFFAOYSA-N
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-rxn:2:98313:144280,CO[C@H]1Cc2ccccc2[C@H]1NC1c2c(C)cc(C)cc2OCCC1CN1CCCCC1,RISPJYHXLKDAJC-VHXLDTGXSA-N
-rxn:2:98701:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2c3c(nn2C2CCCCN2C)CCC3C)cn1,HKIXVHNCVMECLV-UHFFFAOYSA-N
-rxn:2:98728:153696,CCCC(NCC(F)(F)CN1CCN(C)CC1C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,WRBYYPDMDMFPHK-UHFFFAOYSA-N
-rxn:2:98978:164678,COc1cc(OC2CCCC2)ccc1NC1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1,PMHHLUGWFFQICF-UHFFFAOYSA-N
-rxn:2:98978:166041,COc1cc(OC2CCCC2)ccc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,HZCJXHQDHXNOJG-UHFFFAOYSA-N
-rxn:2:99533:144280,CO[C@H]1Cc2ccccc2[C@@H]1NC1c2c(C)cc(C)cc2OCCC1CN1CCCCC1,RISPJYHXLKDAJC-IJNVQZOQSA-N
-rxn:3:11636:42419:96700,CN(C)Cc1cn(CC#Cc2csc(CC(=O)NC3CC4(C3)CC(F)(F)C4)c2)nn1,QVLKKOFBRRSOSQ-UHFFFAOYSA-N
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-rxn:3:12155:42683:77117,CN(C)C1CC(c2cn(CC#Cc3cc(C(=O)NC4(C(C)(F)F)CC4)ccn3)nn2)C1,AJOHXKOFBBDYMP-UHFFFAOYSA-N
-rxn:3:12155:42684:77117,CN(C)C1CC(c2cn(CC#Cc3cccc(C(=O)NC4(C(C)(F)F)CC4)n3)nn2)C1,XHDKAEDWGSBFOJ-UHFFFAOYSA-N
-rxn:3:12155:42685:77117,CN(C)C1CC(c2cn(CC#Cc3ccc(C(=O)NC4(C(C)(F)F)CC4)cn3)nn2)C1,ROHDTADJVQAALU-UHFFFAOYSA-N
-rxn:3:12155:42926:111610,CN(C)C1CC(c2cn(-c3ccc(-c4ccc(C(=O)NC5(COS(=O)(=O)[O-])CCCC5)o4)cc3)nn2)C1,AQTSDUGWEQVVPZ-UHFFFAOYSA-M
-rxn:3:12155:43044:124826,CN(C)C1CC(c2cn(CC#Cc3nccc(C(=O)NC4CC(C)(F)C4)c3F)nn2)C1,QXTCNBHESHYSGK-UHFFFAOYSA-N
-rxn:3:12155:44516:124826,CN(C)C1CC(c2cn(CCC#Cc3cccc(C(=O)NC4CC(C)(F)C4)n3)nn2)C1,IJPVWLHAEBOIGC-UHFFFAOYSA-N
-rxn:3:12155:44516:77117,CN(C)C1CC(c2cn(CCC#Cc3cccc(C(=O)NC4(C(C)(F)F)CC4)n3)nn2)C1,OUVNVHYJJZFYNS-UHFFFAOYSA-N
-rxn:3:12155:44520:72859,CN(C)C1CC(c2cn(CCC#Cc3ccnc(C(=O)NCC4(C(C)(F)F)CC4)c3)nn2)C1,HWHWVBHPRZOZOE-UHFFFAOYSA-N
-rxn:3:12155:57888:72859,CN(C)C1CC(c2cn(CCCc3ncccc3C(=O)NCC3(C(C)(F)F)CC3)nn2)C1,VUJLCHAESHDKHH-UHFFFAOYSA-N
-rxn:3:12213:60580:80361,C=CC[C@@H](C(=O)Nc1c(C)cccc1OCC1CCCO1)n1cc([C@@H]2CN(C)C[C@H]2F)nn1,ITSVAILZUUQTLB-ABYWUZBGSA-N
-rxn:3:12213:60582:122257,C=CC[C@H](C(=O)NC(C)C1CCO1)n1cc([C@@H]2CN(C)C[C@H]2F)nn1,VJWXNSFLXDVZJU-JSEJITCXSA-N
-rxn:3:12213:60582:128240,C=CC[C@H](C(=O)NCC(F)CC1CCCCO1)n1cc([C@@H]2CN(C)C[C@H]2F)nn1,YLHGNQATMOPUSS-KUHUBOKPSA-N
-rxn:3:12213:60582:130715,C=CC[C@H](C(=O)NCC(F)CC1CCCO1)n1cc([C@@H]2CN(C)C[C@H]2F)nn1,ORVKXBZJZMAFJM-JPHXMIBJSA-N
-rxn:3:12213:60582:85963,C=CC[C@H](C(=O)NCC(OC)C1CCC(C)O1)n1cc([C@@H]2CN(C)C[C@H]2F)nn1,OWNNSIDYUORTAI-HIRRCDKPSA-N
-rxn:3:1251:40920:84024,CN(C)c1ccc(-c2cn(CC=Cc3nccc(C(=O)N[C@H]4C[C@@H](OCC5CCC5)C4)c3F)nn2)cn1,YXFPCFNKLHCGOU-OYRHEFFESA-N
-rxn:3:1251:44926:122756,CN(C)c1ccc(-c2cn(CCC#Cc3cc(F)c(F)cc3C(=O)NC3CC[Si](C)(C)CC3)nn2)cn1,PTUKOAXIPUJFER-UHFFFAOYSA-N
-rxn:3:1251:47746:112952,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCCCCCC5)cn(C5CC5)c4c3F)nn2)cn1,TXASTHONDSCIBI-UHFFFAOYSA-N
-rxn:3:1251:47746:116651,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC(C5CCC5)C5CCCO5)cn(C5CC5)c4c3F)nn2)cn1,ORZABPXAZIPLHC-UHFFFAOYSA-N
-rxn:3:1251:47746:125767,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CC5C5CCCCCC5)cn(C5CC5)c4c3F)nn2)cn1,ZGTLYZJOPMVGJH-UHFFFAOYSA-N
-rxn:3:1251:47746:138719,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC(C5CC5)C5CCCCO5)cn(C5CC5)c4c3F)nn2)cn1,BJMWFJDEAIJKOW-UHFFFAOYSA-N
-rxn:3:1251:47746:141595,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCC(C6CC6)CC5)cn(C5CC5)c4c3F)nn2)cn1,XLWUAIYCAMBSFI-UHFFFAOYSA-N
-rxn:3:1251:47746:74583,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CC(C6CCCC6)C5)cn(C5CC5)c4c3F)nn2)cn1,CXMVOFATWRZAHO-UHFFFAOYSA-N
-rxn:3:1251:47746:75917,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CCCCC5(C)C)cn(C5CC5)c4c3F)nn2)cn1,XWJZGGVSQHXLTM-HSZRJFAPSA-N
-rxn:3:1251:47746:77990,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC(C5CCC5)C5CCC5)cn(C5CC5)c4c3F)nn2)cn1,VFTBVINVBCJIJZ-UHFFFAOYSA-N
-rxn:3:1251:47746:95080,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NOC[C@H]5CC[C@H](C)CC5)cn(C5CC5)c4c3F)nn2)cn1,QCJSLIOXOSHDHM-IYARVYRRSA-N
-rxn:3:1251:49822:110520,CN(C)c1ccc(-c2cn(CC3C(c4sccc4C(=O)NC4CC5(CCCO5)C4)C3(F)F)nn2)cn1,MGXBFMVSZQYDSZ-UHFFFAOYSA-N
-rxn:3:1251:50435:129894,CN(C)c1ccc(-c2cn(CC3C(c4cccc(C(=O)NC5C(C)(C)OC56CCCCC6)n4)C3(F)F)nn2)cn1,GSQCGTPQJABSLG-UHFFFAOYSA-N
-rxn:3:1251:50435:89487,CN(C)c1ccc(-c2cn(CC3C(c4cccc(C(=O)NC5C(C)(C)OC56CCCC6)n4)C3(F)F)nn2)cn1,XTPGHUVCBLUXMQ-UHFFFAOYSA-N
-rxn:3:1251:51307:86838,CN(C)c1ccc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)NC6CC67CCCCC7)c5c4)C3(F)F)nn2)cn1,WIWHHOXWJGXLBK-UHFFFAOYSA-N
-rxn:3:1251:54804:95019,CN(C)c1ccc(-c2cn(CCC3C(c4ccc5[nH]nc(C(=O)NC6CC7(CCC7)C6)c5c4)C3(F)F)nn2)cn1,IWOMECLLAGVJBP-UHFFFAOYSA-N
-rxn:3:1251:58338:137567,CN(C)c1ccc(-c2cn(CCCc3c(F)cc(C(=O)NC4CC5(C4)CC(C)(C)C5)cc3F)nn2)cn1,OMWZUQJFZBHLTF-UHFFFAOYSA-N
-rxn:3:14351:49499:83860,N#CC12CC(c3cn(C[C@H]4C[C@H](C(=O)Nc5cccc(OS(=O)(=O)F)c5)C4)nn3)(C1)C2,FHJQNDBXPCWVEC-OVQJEUAKSA-N
-rxn:3:14351:49499:84946,N#CC12CC(c3cn(C[C@H]4C[C@H](C(=O)NCc5ccc(OS(=O)(=O)F)cc5)C4)nn3)(C1)C2,GJWOSVHXMCQFDZ-JHHJNOCHSA-N
-rxn:3:14351:49499:92547,N#CC12CC(c3cn(C[C@H]4C[C@H](C(=O)Nc5ccc(OS(=O)(=O)F)cc5)C4)nn3)(C1)C2,NRHQHMYHQQIQKN-OVQJEUAKSA-N
-rxn:3:15369:47746:71345,CN(C)Cc1ccnn1-c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CCCC[C@@H]5F)cn(C5CC5)c4c3F)nn2)cc1,OMTNEGCEVHLCHF-AHKZPQOWSA-N
-rxn:3:15431:47746:81577,C[C@@H]1CCCC[C@H]1NC(=O)c1cn(C2CC2)c2c(F)c(-n3cc(-c4ccc(-n5cc(CN(C)C)cn5)cc4)nn3)c(F)cc2c1=O,QRYBSXGOZXGRKN-PIIWDFAUSA-N
-rxn:3:15466:59842:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)[C@H]1CC=C[C@H](n2cc(-c3cn(C4CCSC4)nc3C3CCC3)nn2)C1,DSCWOUVPTSPAKN-LGTSYYJHSA-N
-rxn:3:15647:40856:88275,CN(C)CCn1cc(-c2cn(C3(C(=O)NC4CC5(CC5)C4)CC3)nn2)c(C(F)F)n1,ZFRMXHOLOMPXAV-UHFFFAOYSA-N
-rxn:3:16782:40920:122392,Cc1c(-c2cn(CC=Cc3nccc(C(=O)NC4CCCC(C(C)C)CC4)c3F)nn2)cnn1CCN(C)C,ZCYAEJQCUWJJDH-UHFFFAOYSA-N
-rxn:3:16782:40920:87644,Cc1c(-c2cn(CC=Cc3nccc(C(=O)NC(F)C4CCCCC4)c3F)nn2)cnn1CCN(C)C,HEPBYWMLGYZMQC-UHFFFAOYSA-N
-rxn:3:16782:40920:98746,Cc1c(-c2cn(CC=Cc3nccc(C(=O)NC4CCCC(C)(F)C4)c3F)nn2)cnn1CCN(C)C,HKOYXUQPSCNYKJ-UHFFFAOYSA-N
-rxn:3:16782:45142:126488,Cc1c(-c2cn(-c3ccc(OCC(=O)NC4CC5(C4)C(F)(F)C54CC4)cc3)nn2)cnn1CCN(C)C,XXPHXJDIFJXPSV-UHFFFAOYSA-N
-rxn:3:16782:45142:137832,Cc1c(-c2cn(-c3ccc(OCC(=O)NCC4C(F)(F)C45CCOCC5)cc3)nn2)cnn1CCN(C)C,UQRWGZLGFOUOHZ-UHFFFAOYSA-N
-rxn:3:16782:45142:96700,Cc1c(-c2cn(-c3ccc(OCC(=O)NC4CC5(C4)CC(F)(F)C5)cc3)nn2)cnn1CCN(C)C,AOBSICHBXBIJQK-UHFFFAOYSA-N
-rxn:3:16782:45168:139136,Cc1c(-c2cn(-c3cccc(CCC(=O)NC4CC45CCC(F)(F)CC5)c3)nn2)cnn1CCN(C)C,QVGMTBGAMMLKCS-UHFFFAOYSA-N
-rxn:3:16782:45168:71893,Cc1c(-c2cn(-c3cccc(CCC(=O)NC4CC5(C4)CC4(CC(F)(F)C4)C5)c3)nn2)cnn1CCN(C)C,FIQFQXPOXSXVAE-UHFFFAOYSA-N
-rxn:3:16782:45168:96700,Cc1c(-c2cn(-c3cccc(CCC(=O)NC4CC5(C4)CC(F)(F)C5)c3)nn2)cnn1CCN(C)C,ANQAOFIEBJAVJF-UHFFFAOYSA-N
-rxn:3:16782:50430:71656,Cc1c(-c2cn(CC3C(c4cncc(C(=O)NC5(C)CCCC5)c4)C3(F)F)nn2)cnn1CCN(C)C,LXMGVVVDOJYZMT-UHFFFAOYSA-N
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-rxn:3:16782:50435:97021,Cc1c(-c2cn(CC3C(c4cccc(C(=O)NC5CC56CC6)n4)C3(F)F)nn2)cnn1CCN(C)C,DORSNQTZXGTDPN-UHFFFAOYSA-N
-rxn:3:16782:56128:83031,Cc1c(-c2cn(CC3CC3c3cc(F)ccc3C(=O)NC3C(F)(F)C34CCC4)nn2)cnn1CCN(C)C,RSPJBTUPSTZYRV-UHFFFAOYSA-N
-rxn:3:16782:58664:95904,Cc1c(-c2cn(-c3ccccc3CCCC(=O)NC3CC4(C3)CC4(F)F)nn2)cnn1CCN(C)C,KBLQCUHJKQQPMO-UHFFFAOYSA-N
-rxn:3:16782:58664:96700,Cc1c(-c2cn(-c3ccccc3CCCC(=O)NC3CC4(C3)CC(F)(F)C4)nn2)cnn1CCN(C)C,YNPMAQOVHHCEKG-UHFFFAOYSA-N
-rxn:3:16782:58665:96700,Cc1c(-c2cn(-c3cccc(CCCC(=O)NC4CC5(C4)CC(F)(F)C5)c3)nn2)cnn1CCN(C)C,PDAHZKPTWWJCGZ-UHFFFAOYSA-N
-rxn:3:16782:62154:109100,Cc1c(-c2cn([C@@H](C)C(=O)NCC3C(F)(F)C34CCCC4)nn2)cnn1CCN(C)C,JUEHDJSXJSWGER-BUSXIPJBSA-N
-rxn:3:16806:48101:96700,CCc1c(-c2cn(-c3cccc(OCC(=O)NC4CC5(C4)CC(F)(F)C5)c3)nn2)cnn1CCN(C)C,AWDGMJUQDOWTAE-UHFFFAOYSA-N
-rxn:3:16806:49507:95904,CCc1c(-c2cn(-c3ccccc3C#CC(=O)NC3CC4(C3)CC4(F)F)nn2)cnn1CCN(C)C,CNEXBAJOWDFUEK-UHFFFAOYSA-N
-rxn:3:16806:49508:86461,CCc1c(-c2cn(-c3cccc(C#CC(=O)NC4CCC45CC(F)(F)C5)c3)nn2)cnn1CCN(C)C,OSLIRUOFCAYKOH-UHFFFAOYSA-N
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-rxn:3:16806:49508:96700,CCc1c(-c2cn(-c3cccc(C#CC(=O)NC4CC5(C4)CC(F)(F)C5)c3)nn2)cnn1CCN(C)C,WSZOMMARVMDBQP-UHFFFAOYSA-N
-rxn:3:16806:62154:71532,CCc1c(-c2cn([C@@H](C)C(=O)NC3CC4(CCC(F)(F)CC4)C3)nn2)cnn1CCN(C)C,QAXOFAZYXXAZQD-INIZCTEOSA-N
-rxn:3:16813:56299:105416,CC(C)c1c(CN(C)C)cnn1Cc1cn(CC2CC2c2nccc(C(=O)NC3CCCSC3)c2F)nn1,XTLROJBLYBTLAR-UHFFFAOYSA-N
-rxn:3:16813:56299:107178,CC(C)c1c(CN(C)C)cnn1Cc1cn(CC2CC2c2nccc(C(=O)NC3CCCC(F)C3)c2F)nn1,QGVFLVHWACCSOD-UHFFFAOYSA-N
-rxn:3:16813:56299:68563,CC(C)c1c(CN(C)C)cnn1Cc1cn(CC2CC2c2nccc(C(=O)NC3CCCCC(F)C3)c2F)nn1,UXJCKAIWVUSSQP-UHFFFAOYSA-N
-rxn:3:16813:59897:83031,CC(C)c1c(CN(C)C)cnn1Cc1cn(Cc2cccc(C(=O)NC3C(F)(F)C34CCC4)n2)nn1,REBFNIVZEBTUBB-UHFFFAOYSA-N
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-rxn:3:49937:2259:66077,CCN1CCC(c2cn(CC3C(c4cn[nH]c4C(=O)NC4(c5ccc(C)c(OC)c5)CC4)C3(F)F)nn2)CC1,BUCKZOSAIAKAFX-UHFFFAOYSA-N
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-rxn:3:51042:17887:67866,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(OC)c(C(=O)N[C@@H]5CC56CCCCC6)c4)C3(F)F)nn2)c1,ATPYDEHXPZDJCU-HCAZQKKQSA-N
-rxn:3:51049:17887:66069,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(C(=O)NC5CCCC56CC6)cc4OC)C3(F)F)nn2)c1,PFKLIDXLKQDBAZ-UHFFFAOYSA-N
-rxn:3:51049:2259:69182,CCN1CCC(c2cn(CC3C(c4ccc(C(=O)NCc5cscc5OC)cc4OC)C3(F)F)nn2)CC1,XDIWVVXSTDNJDQ-UHFFFAOYSA-N
-rxn:3:51051:17887:66066,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cccc(C(=O)N[C@@H]5CC56CCCC6)c4OC)C3(F)F)nn2)c1,LIEJTEHLXBMSIG-KJIXGKQBSA-N
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-rxn:3:51059:17887:67866,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cc(OC)cc(C(=O)N[C@@H]5CC56CCCCC6)c4)C3(F)F)nn2)c1,VZMOUYAQACEOTQ-OTDMGWBDSA-N
-rxn:3:51060:17887:66066,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(C(=O)N[C@@H]5CC56CCCC6)c(OC)c4)C3(F)F)nn2)c1,XFXXXFOVVFBWJB-IPEXIJNSSA-N
-rxn:3:51060:17887:67866,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(C(=O)N[C@@H]5CC56CCCCC6)c(OC)c4)C3(F)F)nn2)c1,RHMGCEKOOJOUCR-HCAZQKKQSA-N
-rxn:3:51063:17887:66069,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(OC)cc4C(=O)NC4CCCC45CC5)C3(F)F)nn2)c1,DJNFEZGPNVCKNZ-UHFFFAOYSA-N
-rxn:3:51063:17887:67866,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(OC)cc4C(=O)N[C@@H]4CC45CCCCC5)C3(F)F)nn2)c1,UQMZUZBKEGGKMT-OTDMGWBDSA-N
-rxn:3:52848:2259:66077,CCN1CCC(c2cn(CCC3CC3c3cc(C(=O)NC4(c5ccc(C)c(OC)c5)CC4)c(F)cn3)nn2)CC1,CKMGYDXSPQHSHX-UHFFFAOYSA-N
-rxn:3:54100:23143:66077,CCN1CC(c2cn(CCC3C(c4cnc(C(=O)NC5(c6ccc(C)c(OC)c6)CC5)nc4)C3(F)F)nn2)C1,UDMUDJRWFGGJDX-UHFFFAOYSA-N
-rxn:3:54199:2259:68844,CCN1CCC(c2cn(CCC3C(c4ncccc4C(=O)Nc4ccc(OC)cc4OC)C3(F)F)nn2)CC1,SGEZVMCYJXOSHS-UHFFFAOYSA-N
-rxn:3:5474:45123:111610,CC(Oc1ccc(-n2cc(-c3cnc(N(C)C)nc3)nn2)cc1)C(=O)NC1(COS(=O)(=O)[O-])CCCC1,AUDYCEKUJULPPO-UHFFFAOYSA-M
-rxn:3:5474:47746:109276,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CC(C6CCC6)C5)cn(C5CC5)c4c3F)nn2)cn1,VMYVQEIUJWFXCA-UHFFFAOYSA-N
-rxn:3:5474:47746:125767,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CC5C5CCCCCC5)cn(C5CC5)c4c3F)nn2)cn1,YMUVOYZSJXATEL-UHFFFAOYSA-N
-rxn:3:5474:47746:127475,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC[C@H]5CCCC[C@H]5F)cn(C5CC5)c4c3F)nn2)cn1,ZSEPICHXEWHXQQ-FOIQADDNSA-N
-rxn:3:5474:47746:129998,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCCC5C5CC5)cn(C5CC5)c4c3F)nn2)cn1,KPARQVMTFLWRNL-UHFFFAOYSA-N
-rxn:3:5474:47746:132806,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC(C5CCC5)C5CC5)cn(C5CC5)c4c3F)nn2)cn1,ADCHTCCAEBATHG-UHFFFAOYSA-N
-rxn:3:5474:47746:138288,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5C6CCCCC6C5(C)C)cn(C5CC5)c4c3F)nn2)cn1,VIVOJQFULSWWOO-UHFFFAOYSA-N
-rxn:3:5474:47746:141595,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCC(C6CC6)CC5)cn(C5CC5)c4c3F)nn2)cn1,BZTGZJQZZFYYGX-UHFFFAOYSA-N
-rxn:3:5474:47746:71989,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCC5C5CCC5)cn(C5CC5)c4c3F)nn2)cn1,KDGLJXPCQLGIBM-UHFFFAOYSA-N
-rxn:3:5474:47746:81153,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC(C5CCCC5)C5CCC5)cn(C5CC5)c4c3F)nn2)cn1,WHJQRMZVYUMNRC-UHFFFAOYSA-N
-rxn:3:5474:47746:81991,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCCCCC5F)cn(C5CC5)c4c3F)nn2)cn1,GBDNQCOWXJIENA-UHFFFAOYSA-N
-rxn:3:5474:47746:87290,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCCC(C6CC6)C5)cn(C5CC5)c4c3F)nn2)cn1,UHQBAKZMLKNSCA-UHFFFAOYSA-N
-rxn:3:5474:47746:95080,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NOC[C@H]5CC[C@H](C)CC5)cn(C5CC5)c4c3F)nn2)cn1,KUBHUROXKCGMLE-QAQDUYKDSA-N
-rxn:3:5474:47746:98184,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCC(C6CC6)C5)cn(C5CC5)c4c3F)nn2)cn1,GDMZVBLBVCEKFQ-UHFFFAOYSA-N
-rxn:3:5474:51307:112488,CN(C)c1ncc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)NC6CC7(CCCCC7)C6)c5c4)C3(F)F)nn2)cn1,ZYIMIXSBZVZWBF-UHFFFAOYSA-N
-rxn:3:5474:51307:134411,CN(C)c1ncc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)NC6CC67CCCCCC7)c5c4)C3(F)F)nn2)cn1,GMYPQELGVGBDQT-UHFFFAOYSA-N
-rxn:3:5474:51307:86721,CN(C)c1ncc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)NC6CC7(CCCC7)C6)c5c4)C3(F)F)nn2)cn1,BDDGSASKAIWRES-UHFFFAOYSA-N
-rxn:3:5474:51307:96303,CN(C)c1ncc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)NC6CC7(CCCCO7)C6)c5c4)C3(F)F)nn2)cn1,DSBYFSLLIVKQFW-UHFFFAOYSA-N
-rxn:3:5474:56299:79124,CN(C)c1ncc(-c2cn(CC3CC3c3nccc(C(=O)NCC4(S(=O)(=O)C5CCCC5)COC4)c3F)nn2)cn1,BVLIROWWIXHDLR-UHFFFAOYSA-N
-rxn:3:5564:56299:79124,Cn1ncc2c(-c3cn(CC4CC4c4nccc(C(=O)NCC5(S(=O)(=O)C6CCCC6)COC5)c4F)nn3)ncnc21,DXEFJCLKOUYHHL-UHFFFAOYSA-N
-rxn:3:58229:2259:70057,CCN1CCC(c2cn(CCCc3cc(C(=O)N[C@H]4COc5cccc(OC)c5C4)c(F)cn3)nn2)CC1,BMPSQMHRGWIORZ-OAQYLSRUSA-N
-rxn:3:58229:23158:66077,CCN1CCC(c2cn(CCCc3cc(C(=O)NC4(c5ccc(C)c(OC)c5)CC4)c(F)cn3)nn2)C1,KDWIMWYVBZPTBE-UHFFFAOYSA-N
-rxn:3:58230:23158:66077,CCN1CCC(c2cn(CCCc3nccc(C(=O)NC4(c5ccc(C)c(OC)c5)CC4)c3F)nn2)C1,ZILJGFAYDQGZIT-UHFFFAOYSA-N
-rxn:3:5864:50435:66280,COC1CC(NC(=O)c2cccc(C3C(Cn4cc(-c5ccc6nccc(N(C)C)c6c5)nn4)C3(F)F)n2)C12CCC2,MDPCYQKJFUUTIG-UHFFFAOYSA-N
-rxn:3:6123:52381:151783,Cn1ncc(-c2cn(CCC3CC3c3cnc(C(=O)Nc4ccc(OS(=O)(=O)F)c5ccccc45)nc3)nn2)c1C1CCCCC1,JVNUDGLIMCFDIC-UHFFFAOYSA-N
-rxn:3:6124:59842:158384,Cn1ncc(-c2cn([C@H]3C=CC[C@H](C(=O)Nc4ccc5cc(OS(=O)(=O)F)ccc5c4)C3)nn2)c1C1CCCC1,ZEYQJMVPGUNOAO-GMAHTHKFSA-N
-rxn:3:6136:42881:121390,CCn1ncc(-c2cn(CC#Cc3ccc(C(=O)NC4C[C@H](OC)[C@@H](OC)C4)c(F)c3)nn2)c1C1CCC1,CQPZXNMCEKFDSU-UIOOFZCWSA-N
-rxn:3:6215:47746:105636,CS(=O)(=O)[C@H]1CC[C@H](NC(=O)c2cn(C3CC3)c3c(F)c(-n4cc(-c5cc(N6CCCC6)ncn5)nn4)c(F)cc3c2=O)CC1,HYEPHRGEFKPKQI-UAPYVXQJSA-N
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-rxn:3:6257:49499:81931,CN1CCC(N(C)c2cc(-c3cn(C[C@H]4C[C@H](C(=O)NCc5ccc(S(=O)(=O)F)s5)C4)nn3)ncn2)CC1,WNLCXTZPMDSZJF-QAQDUYKDSA-N
-rxn:3:6257:59446:107213,CN1CCC(N(C)c2cc(-c3cn([C@H]4C[C@@H](C(=O)NC(c5cccs5)C5CCS(=O)(=O)CC5)C4)nn3)ncn2)CC1,UQQOFSGLYFWWNM-VACGGJMZSA-N
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-rxn:3:6257:59446:81931,CN1CCC(N(C)c2cc(-c3cn([C@H]4C[C@@H](C(=O)NCc5ccc(S(=O)(=O)F)s5)C4)nn3)ncn2)CC1,ZTWMTRZZHHVRFH-WOVMCDHWSA-N
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-rxn:3:6383:54804:134411,CN(C)c1cc(-c2cn(CCC3C(c4ccc5[nH]nc(C(=O)NC6CC67CCCCCC7)c5c4)C3(F)F)nn2)ncn1,UIZGODKKPAKNCJ-UHFFFAOYSA-N
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-rxn:3:6383:54804:86838,CN(C)c1cc(-c2cn(CCC3C(c4ccc5[nH]nc(C(=O)NC6CC67CCCCC7)c5c4)C3(F)F)nn2)ncn1,ZZXCYBRAZXCXJZ-UHFFFAOYSA-N
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-rxn:3:6383:55883:111610,CN(C)c1cc(-c2cn(CC3CC3c3cccc(C(=O)NC4(COS(=O)(=O)[O-])CCCC4)n3)nn2)ncn1,FZJYDSVAMFVRKQ-UHFFFAOYSA-M
-rxn:3:6383:56299:108806,CN(C)c1cc(-c2cn(CC3CC3c3nccc(C(=O)NCC4CCC5(CCS(=O)(=O)CC5)O4)c3F)nn2)ncn1,AXKXWGCNKKBJCK-UHFFFAOYSA-N
-rxn:3:6383:56299:113048,CN(C)c1cc(-c2cn(CC3CC3c3nccc(C(=O)NCC4CCOC45CCS(=O)(=O)CC5)c3F)nn2)ncn1,ADPLBHUUMYSMEC-UHFFFAOYSA-N
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-rxn:3:6403:60588:156104,CC(C)C[C@H](C(=O)Nc1ccc2c(c1)C1(CCCO1)CS2(=O)=O)n1cc(-c2cnc(N3CCN(C)CC3)nc2)nn1,QNYWXUSRCCIRPS-RIBGEGAISA-N
-rxn:3:6403:61928:156104,CC(C)[C@H](C(=O)Nc1ccc2c(c1)C1(CCCO1)CS2(=O)=O)n1cc(-c2cnc(N3CCN(C)CC3)nc2)nn1,XDXHSOFLXLUSLB-DXDQHDRFSA-N
-rxn:3:6403:62284:156104,CC(C)C[C@@H](C(=O)Nc1ccc2c(c1)C1(CCCO1)CS2(=O)=O)n1cc(-c2cnc(N3CCN(C)CC3)nc2)nn1,QNYWXUSRCCIRPS-ZZDYIDRTSA-N
-rxn:3:6404:59446:112497,CCS(=O)(=O)Cc1ccsc1NC(=O)[C@H]1C[C@@H](n2cc(-c3cnc(N4CCCN(C)CC4)nc3)nn2)C1,VZNWQXHPGKORRV-PUZFROQSSA-N
-rxn:3:6404:59446:136308,CN1CCCN(c2ncc(-c3cn([C@H]4C[C@@H](C(=O)NCC5(c6ccco6)CS(=O)(=O)C5)C4)nn3)cn2)CC1,IUZWICYEELICBN-PUZFROQSSA-N
-rxn:3:6404:61928:156104,CC(C)[C@H](C(=O)Nc1ccc2c(c1)C1(CCCO1)CS2(=O)=O)n1cc(-c2cnc(N3CCCN(C)CC3)nc2)nn1,SCMZWDMWPDJUHX-RXVAYIKUSA-N
-rxn:3:6448:44706:96499,C=CCCCn1cc(-c2cn(CCC#Cc3ccc(C(=O)N[C@H]4CC[C@@H](OC)CC4)cc3F)nn2)cn1,IWOOHYYAEAFVKY-PLQXJYEYSA-N
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-rxn:3:6450:42567:92636,C=C(C)Cn1cc(-c2cn(CC#Cc3cnc(C(=O)NCC4(S(=O)(=O)CC)CC5(CC5)C4)nc3)nn2)cn1,ZCBCOSHRBVPJKK-UHFFFAOYSA-N
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-rxn:3:64729:6257:66355,CN1CCC(N(C)c2cc(-c3cn(CC4CC(=O)N(c5ccc(C(=O)NC6CCC7(CC6)CS(=O)(=O)C7)cn5)C4)nn3)ncn2)CC1,AWRHOZKKWMBSKV-UHFFFAOYSA-N
-rxn:3:64729:6382:69013,CN(C)c1ccnc(-c2cn(CC3CC(=O)N(c4ccc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)n1,ITCLSWPCABPSOW-UHFFFAOYSA-N
-rxn:3:64729:6403:66355,CN1CCN(c2ncc(-c3cn(CC4CC(=O)N(c5ccc(C(=O)NC6CCC7(CC6)CS(=O)(=O)C7)cn5)C4)nn3)cn2)CC1,XCEMCMITSNLJTH-UHFFFAOYSA-N
-rxn:3:64902:5864:67474,CCC1C(F)(F)C12CCC(NC(=O)c1cnccc1N1CC(Cn3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)CC1=O)CC2,UVCVPJJHOJDOBP-UHFFFAOYSA-N
-rxn:3:64902:6383:69013,CN(C)c1cc(-c2cn(CC3CC(=O)N(c4ccncc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)ncn1,MPNNKSYPQVOHNW-UHFFFAOYSA-N
-rxn:3:64954:3914:69013,Cn1c(-c2cn(CC3CC(=O)N(c4cnc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)cc2cccnc21,QYFLDAFAIQDIRN-UHFFFAOYSA-N
-rxn:3:64954:464:66021,Cn1cnc2c(-c3cn(CC4CC(=O)N(c5cnc(C(=O)NCC6(CS(C)(=O)=O)CCCC6)cn5)C4)nn3)ncnc21,YRGWOSBHLIYVFP-UHFFFAOYSA-N
-rxn:3:64961:2184:66355,CC(c1cn(CC2CC(=O)N(c3ncc(C(=O)NC4CCC5(CC4)CS(=O)(=O)C5)cn3)C2)nn1)n1cccn1,JKIQXPASEOVDBY-UHFFFAOYSA-N
-rxn:3:64961:2974:69013,Cn1cc(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)c2cccnc21,LKLYSIGBTZCJNY-UHFFFAOYSA-N
-rxn:3:64961:6361:69013,Cc1nnc2c(-c3cn(CC4CC(=O)N(c5ncc(C(=O)NC6(C7CCS(=O)(=O)C7)CCCCC6)cn5)C4)nn3)nccn12,ZPBUCODAZVYBOC-UHFFFAOYSA-N
-rxn:3:64961:6382:69013,CN(C)c1ccnc(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)n1,POZOUTDBDBFQNW-UHFFFAOYSA-N
-rxn:3:64961:6391:66021,Cc1nc2ncnn2c(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NCC5(CS(C)(=O)=O)CCCC5)cn4)C3)nn2)c1C,MBNALTBUTAGUNL-UHFFFAOYSA-N
-rxn:3:64961:6403:65938,CN1CCN(c2ncc(-c3cn(CC4CC(=O)N(c5ncc(C(=O)NCC6COCCS(=O)(=O)C6)cn5)C4)nn3)cn2)CC1,XSZFLNXQERMCHW-UHFFFAOYSA-N
-rxn:3:64961:7075:65938,CN1CCN(c2ncccc2-c2cn(CC3CC(=O)N(c4ncc(C(=O)NCC5COCCS(=O)(=O)C5)cn4)C3)nn2)CC1,XNFNIGSYSXCSOE-UHFFFAOYSA-N
-rxn:3:64961:7141:69013,Cn1ncc2c(-c3cn(CC4CC(=O)N(c5ncc(C(=O)NC6(C7CCS(=O)(=O)C7)CCCCC6)cn5)C4)nn3)cncc21,IZMHVTVYBGROHY-UHFFFAOYSA-N
-rxn:3:64961:7697:66021,Cc1csc2c(-c3cn(CC4CC(=O)N(c5ncc(C(=O)NCC6(CS(C)(=O)=O)CCCC6)cn5)C4)nn3)ncnc12,RCBZVGLDAKSCRL-UHFFFAOYSA-N
-rxn:3:64994:1881:66021,CS(=O)(=O)CC1(CNC(=O)c2cccnc2N2CC(Cn3cc(-c4cnc5scnc5c4)nn3)CC2=O)CCCC1,NUNIHCCTZRSUNX-UHFFFAOYSA-N
-rxn:3:64994:464:69013,Cn1cnc2c(-c3cn(CC4CC(=O)N(c5ncccc5C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)C4)nn3)ncnc21,OWEFEYJEAQYREH-UHFFFAOYSA-N
-rxn:3:64994:6361:66021,Cc1nnc2c(-c3cn(CC4CC(=O)N(c5ncccc5C(=O)NCC5(CS(C)(=O)=O)CCCC5)C4)nn3)nccn12,PCVUFBLOXAGVSM-UHFFFAOYSA-N
-rxn:3:64994:6372:66021,Cc1nnc2ccc(-c3cn(CC4CC(=O)N(c5ncccc5C(=O)NCC5(CS(C)(=O)=O)CCCC5)C4)nn3)nn12,CDZXNHXWWOOXDI-UHFFFAOYSA-N
-rxn:3:65003:1167:69013,Cc1cccn2cc(-c3cn(CC4CC(=O)N(c5ncncc5C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)C4)nn3)nc12,SKCVITRULABJEZ-UHFFFAOYSA-N
-rxn:3:65003:1881:66021,CS(=O)(=O)CC1(CNC(=O)c2cncnc2N2CC(Cn3cc(-c4cnc5scnc5c4)nn3)CC2=O)CCCC1,HBGXIURSPUWFKR-UHFFFAOYSA-N
-rxn:3:65003:3716:66021,CS(=O)(=O)CC1(CNC(=O)c2cncnc2N2CC(Cn3cc(-c4ccnn4C4CC4(F)F)nn3)CC2=O)CCCC1,OGNCGPWDQCAPEA-UHFFFAOYSA-N
-rxn:3:65003:5564:69013,Cn1ncc2c(-c3cn(CC4CC(=O)N(c5ncncc5C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)C4)nn3)ncnc21,HQQHTKAXKDHGCQ-UHFFFAOYSA-N
-rxn:3:65003:5864:67474,CCC1C(F)(F)C12CCC(NC(=O)c1cncnc1N1CC(Cn3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)CC1=O)CC2,ZUHGYEFNFBBKGC-UHFFFAOYSA-N
-rxn:3:65003:6361:69013,Cc1nnc2c(-c3cn(CC4CC(=O)N(c5ncncc5C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)C4)nn3)nccn12,VVECGOPDLIAQCE-UHFFFAOYSA-N
-rxn:3:65003:6382:69013,CN(C)c1ccnc(-c2cn(CC3CC(=O)N(c4ncncc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)n1,QOVPXXCICCCQJU-UHFFFAOYSA-N
-rxn:3:65003:6383:69013,CN(C)c1cc(-c2cn(CC3CC(=O)N(c4ncncc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)ncn1,FEPSTYGLNXDSCL-UHFFFAOYSA-N
-rxn:3:65003:6450:69013,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(c4ncncc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)cn1,WRVIHHYKSUHRLO-UHFFFAOYSA-N
-rxn:3:65003:7141:69013,Cn1ncc2c(-c3cn(CC4CC(=O)N(c5ncncc5C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)C4)nn3)cncc21,DUJBQPFBKLDGTL-UHFFFAOYSA-N
-rxn:3:65003:7697:66021,Cc1csc2c(-c3cn(CC4CC(=O)N(c5ncncc5C(=O)NCC5(CS(C)(=O)=O)CCCC5)C4)nn3)ncnc12,MPYCXXDPHYJHDR-UHFFFAOYSA-N
-rxn:3:6504:46343:113048,C=Cc1cnn(Cc2cn(CCC=Cc3nccc(C(=O)NCC4CCOC45CCS(=O)(=O)CC5)c3F)nn2)c1,KEZMLFIXSGJRHE-UHFFFAOYSA-N
-rxn:3:65150:1881:66021,CS(=O)(=O)CC1(CNC(=O)c2cc(N3CC(Cn4cc(-c5cnc6scnc6c5)nn4)CC3=O)ccn2)CCCC1,KDCLAKZEKBCGBG-UHFFFAOYSA-N
-rxn:3:65401:3914:69013,Cn1c(-c2cn(CC3CC(=O)N(c4cncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)n4)C3)nn2)cc2cccnc21,QSXZFBZJJSELQZ-UHFFFAOYSA-N
-rxn:3:65401:5474:69013,CN(C)c1ncc(-c2cn(CC3CC(=O)N(c4cncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)n4)C3)nn2)cn1,OVZWHYJJEJSQAE-UHFFFAOYSA-N
-rxn:3:65401:6257:69013,CN1CCC(N(C)c2cc(-c3cn(CC4CC(=O)N(c5cncc(C(=O)NC6(C7CCS(=O)(=O)C7)CCCCC6)n5)C4)nn3)ncn2)CC1,KYMDUUBUJMBLKV-UHFFFAOYSA-N
-rxn:3:65401:6361:69013,Cc1nnc2c(-c3cn(CC4CC(=O)N(c5cncc(C(=O)NC6(C7CCS(=O)(=O)C7)CCCCC6)n5)C4)nn3)nccn12,KAPWDJCJWZZWFK-UHFFFAOYSA-N
-rxn:3:65401:6382:69013,CN(C)c1ccnc(-c2cn(CC3CC(=O)N(c4cncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)n4)C3)nn2)n1,QDAGKCFMLHVIDR-UHFFFAOYSA-N
-rxn:3:65549:2850:67474,CCC1C(F)(F)C12CCC(NC(=O)c1nccnc1N1CC(Cn3cc(-c4cccnc4N(C)C)nn3)CC1=O)CC2,YYZCLTKEABBQGS-UHFFFAOYSA-N
-rxn:3:65549:391:69013,Cc1cc(-c2cn(CC3CC(=O)N(c4nccnc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)cn2ccnc12,JKXMONUVZUEWCS-UHFFFAOYSA-N
-rxn:3:65549:5474:69013,CN(C)c1ncc(-c2cn(CC3CC(=O)N(c4nccnc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)cn1,SHAHPOHHPODWRX-UHFFFAOYSA-N
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-rxn:2:69207:121007,CC(COCC1CCCO1)NC1CCCCCC1c1ccc(C(C)(C)C)cc1,LZUHHRIGLHXZCB-UHFFFAOYSA-N
-rxn:2:69415:79402,CC(C)c1cc(NC2CCC(c3nccc(C4CCN(C)C4)n3)CC2)ccc1OS(=O)(=O)F,YTMIVFNVSHLIPJ-UHFFFAOYSA-N
-rxn:2:69724:140202,CC(NC1CCOC2(CCCN(C)C2)C1)c1ccc(OS(C)(=O)=O)cc1,ABOZASVSVWDJGZ-UHFFFAOYSA-N
-rxn:2:69846:72600,CC(C)c1ccc(C(NCC2(F)CCCN(C)CC2)C2COCCO2)cc1,GDDGMECRQZOXDR-UHFFFAOYSA-N
-rxn:2:70584:105331,CC(CN(C)C1CCCCC1)NC1CCC([Si](C)(C)C)CC1,POFGCGPRTFBHDN-UHFFFAOYSA-N
-rxn:2:70683:139234,COCc1cc(OS(=O)(=O)F)ccc1NC1CCC(OS(C)(=O)=O)CC1,NXWUPHMLMPMAJU-UHFFFAOYSA-N
-rxn:2:71273:126600,Cc1ccc(C(C)NCc2ccoc2CN2CCN(C3CC3)CC2)c(OS(=O)(=O)F)c1,VAWDCUNEQARHCB-UHFFFAOYSA-N
-rxn:2:71576:86069,CC(C)[C@@H]1CCCCC1NCC(C)(C)N(C)C1CCC1,JIYWOCSMDNAFQZ-BHWOMJMDSA-N
-rxn:2:72407:73080,COc1ccc(NC(c2ccccc2CN2CCOCC2)C2CCC2)cc1OS(=O)(=O)F,YYEFVTZKENILRB-UHFFFAOYSA-N
-rxn:2:73080:141464,COc1ccc(NC(c2ccccc2CN2CCOCC2)C2CCCC2)cc1OS(=O)(=O)F,QWSICUABGYLIRM-UHFFFAOYSA-N
-rxn:2:73080:83419,COc1ccc(NC(c2cccc(CN3CCOCC3)c2)C2CCC2)cc1OS(=O)(=O)F,SXPDQGBPSYDKII-UHFFFAOYSA-N
-rxn:2:73328:73080,COc1ccc(NC(c2ccccc2CN2CCN(C)CC2)C2CCCC2)cc1OS(=O)(=O)F,VWSXGRAPBLLTGC-UHFFFAOYSA-N
-rxn:2:73568:120702,CC(C)C1C(F)(F)C12CCC(Nc1cc(CN(C)C3CCN(C)CC3)ccn1)CC2,HYODXSWTDQBUIL-UHFFFAOYSA-N
-rxn:2:74153:120702,CC(C)C1C(F)(F)C12CCC(Nc1cccnc1N1CCC(N(C)C)CC1)CC2,MELRTRGNTXDFIK-UHFFFAOYSA-N
-rxn:2:74198:140318,COc1ccc(C(C)NC2CCCCC2OS(C)(=O)=O)cc1OCC1CC1,BOPKAAUHNNYGKA-UHFFFAOYSA-N
-rxn:2:74647:120702,CC(CN(C)C)Oc1cncc(NC2CCC3(CC2)C(C(C)C)C3(F)F)n1,MEYDWPGPIXXPFE-UHFFFAOYSA-N
-rxn:2:75202:117560,CN1CCN(Cc2cccc(C(Nc3ccc(OS(C)(=O)=O)cc3)C3CCCC3)c2)CC1,JRIXREWVCHMAAH-UHFFFAOYSA-N
-rxn:2:76573:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NC2CCC(C)CC2CC2CCCO2)cs1,FRTPVUZFYNFEGZ-UHFFFAOYSA-N
-rxn:2:77061:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCC(N3CCN(C)CC3)CC2)cn1,DGBZSVBEIBKUIH-UHFFFAOYSA-N
-rxn:2:78095:100549,CC(NCC1(CCN(C)C)CC12CCCCC2)c1ccc(C2(F)COC2)cc1,JZQQZKNDOCHWMM-UHFFFAOYSA-N
-rxn:2:79778:119754,CCC1C(F)(F)C12CCC(Nc1cc(=O)[nH]n1CCCN(C)C)CC2,GBGHUKWAPHOYLK-UHFFFAOYSA-N
-rxn:2:79778:120702,CC(C)C1C(F)(F)C12CCC(Nc1cc(=O)[nH]n1CCCN(C)C)CC2,PHGZIFMSFAUDGW-UHFFFAOYSA-N
-rxn:2:79800:153229,Cc1cc(-c2cccnc2C(C)NCCS(=O)(=O)N=S(C)(C)=O)n(C2CCCCO2)n1,NAOYJYRRNXDNPS-UHFFFAOYSA-N
-rxn:2:79800:159811,Cc1cc(-c2ncc(C(C)NCCS(=O)(=O)N=S(C)(C)=O)s2)n(C2CCCCO2)n1,UPPGDKKTECBPLZ-UHFFFAOYSA-N
-rxn:2:79800:162345,Cc1cc(-c2cccc3c2C(NCCS(=O)(=O)N=S(C)(C)=O)CO3)n(C2CCCCO2)n1,LHIDNACHORGIJP-UHFFFAOYSA-N
-rxn:2:80649:140202,CC(NC1CC2CCC(C1)N2C1CCCCCCC1)c1ccc(OS(C)(=O)=O)cc1,MMDIMJWTFDAGTE-UHFFFAOYSA-N
-rxn:2:80649:143151,CC(NC1CC2CCC(C1)N2C1CCCCCCC1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,SIVDEKYOHBJFNA-UHFFFAOYSA-N
-rxn:2:80649:148020,Cc1cc(S(C)(=O)=O)ccc1-c1cccnc1C(C)NC1CC2CCC(C1)N2C1CCCCCCC1,QDYNIAAZAMWDPU-UHFFFAOYSA-N
-rxn:2:80649:157448,CC(NC1CC2CCC(C1)N2C1CCCCCCC1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,NNYIPJGMAWEZMP-UHFFFAOYSA-N
-rxn:2:80649:164099,CC(NC1CC2CCC(C1)N2C1CCCCCCC1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,MDKWGCOFJBDGOD-UHFFFAOYSA-N
-rxn:2:80649:166466,Cc1nc(-c2ccc(S(C)(=O)=O)cc2)sc1C(C)NC1CC2CCC(C1)N2C1CCCCCCC1,KXQJPAGWUYDRQB-UHFFFAOYSA-N
-rxn:2:80871:140202,CC1CC(C)C2(CCCCO2)C(NC(C)c2ccc(OS(C)(=O)=O)cc2)C1,YTMSXXXGAWHIBQ-UHFFFAOYSA-N
-rxn:2:80881:95209,CC(C1CC1)N(C)C1(CNC2CCC(C(C)(F)F)CC2)CCSC1,MQNWFZKNSYLGJF-UHFFFAOYSA-N
-rxn:2:81079:126600,Cc1ccc(C(C)NCC2CN(C)CC2C2CCOC2)c(OS(=O)(=O)F)c1,UNAWXKNATMXBON-UHFFFAOYSA-N
-rxn:2:81957:148941,CC(NCC(C)N1CCCC(CN2CCCC2)C1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,GGBSOWVQVKNZAB-UHFFFAOYSA-N
-rxn:2:81957:156195,CC(NCC(C)N1CCCC(CN2CCCC2)C1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,DHWXNOTUVJVJPV-UHFFFAOYSA-N
-rxn:2:82405:114498,CCC(CN1CCC(N(C)C)CC1)Nc1cc(COCC(C)C)ccn1,FZJRWTKRXRRCQJ-UHFFFAOYSA-N
-rxn:2:82712:123461,CN(C)CCN(C)c1ccc(NC2CCC3(CC2)C(F)(F)C32CCC2)nc1,KCXMNXYVYMQZAQ-UHFFFAOYSA-N
-rxn:2:83192:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCC(N3CCC(CN(C)C)CC3)C2)cn1,ZSYHLJUSYPGTJZ-UHFFFAOYSA-N
-rxn:2:83925:120702,CC(C)C1C(F)(F)C12CCC(NCc1ccc(N3CCC(N(C)C)CC3)nc1)CC2,CYCASSXDYPIKRF-UHFFFAOYSA-N
-rxn:2:83925:94656,CC(C)C1(F)CCC(NCc2ccc(N3CCC(N(C)C)CC3)nc2)CC1,IWRAUFSALOIETN-UHFFFAOYSA-N
-rxn:2:84269:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCN(C3CCN(C)CC3)CC2)cn1,LGTZZDILALJBNR-UHFFFAOYSA-N
-rxn:2:84906:156826,CC(NCC1CCCN(C2CCS(=O)(=O)C2)C1)c1ncc(-c2cnn(C(C)C)c2)cn1,BKPGZTWGVRJGQM-UHFFFAOYSA-N
-rxn:2:85393:137448,CC(C)C(N(C)C)C1(CNC(CN2CCCC2)c2cccn2C)CC1,YQRADCCHGDDUAB-UHFFFAOYSA-N
-rxn:2:85874:75202,CN1CCN(Cc2ccc(C(Nc3ccc(OS(C)(=O)=O)cc3)C3CCCC3)cc2)CC1,VQUKERCYVICYCR-UHFFFAOYSA-N
-rxn:2:86746:117066,CC(NCC1CCC(COC2CCOCC2)O1)c1ccc(OS(=O)(=O)[O-])cc1,SAWZXNMVHXTBMR-UHFFFAOYSA-M
-rxn:2:87618:164099,CC(NCC1CC(C)N(C2CCCCC2)C1C)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,ZVLGTJOOPAVGAT-UHFFFAOYSA-N
-rxn:2:88242:113464,CC1CCCCC1N(C)CC(C)(C)CNC1C[C@@H]2CCCC[C@H]12,KHVPYAIQGOFNEB-WTOUOJQSSA-N
-rxn:2:89147:156195,CC(NCC1CCN(C2CCN(C)CC2)CC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,KZASZKSBRMZXNK-UHFFFAOYSA-N
-rxn:2:89267:140202,COC1C(NC(C)c2ccc(OS(C)(=O)=O)cc2)COC12CCOCC2,HMQZNWLTZAUHIL-UHFFFAOYSA-N
-rxn:2:91994:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCC(N3CCN(C)CC3)C2)cn1,ZFFLQENTEAQDHI-UHFFFAOYSA-N
-rxn:2:93686:120702,CC(C)C1C(F)(F)C12CCC(Nc1cnccc1N1CCC(N(C)C)CC1)CC2,WYYNGOMIODUNTQ-UHFFFAOYSA-N
-rxn:2:94028:148941,CC(NCC(C1CCOC1)N1CCOCC1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,AVBQGWRLULVBQG-UHFFFAOYSA-N
-rxn:2:94028:156195,CC(NCC(C1CCOC1)N1CCOCC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,PKAUNFQZYHMLLM-UHFFFAOYSA-N
-rxn:2:94656:132243,CC(C)C1(F)CCC(NCc2ccnc(N3CCC(N(C)C)CC3)c2)CC1,YFCWKCYYRFASSB-UHFFFAOYSA-N
-rxn:2:94905:140202,CC(NCC1CCC(COC2CCCCC2)O1)c1ccc(OS(C)(=O)=O)cc1,UUFBQNNAGPPQJP-UHFFFAOYSA-N
-rxn:2:95209:103105,CC(C1CC1)N(C)C1(CNC2CCCC2(C)F)CCSC1,OLMWALWXWSDMGE-UHFFFAOYSA-N
-rxn:2:95209:107982,CC(C1CC1)N(C)C1(CNC2CCCC3C2C3(F)F)CCSC1,QIZJZCTZDHUKGW-UHFFFAOYSA-N
-rxn:2:95209:108765,CC(C1CC1)N(C)C1(CNC2CCC3C2C3(F)F)CCSC1,JVZCYZDGBMPNSO-UHFFFAOYSA-N
-rxn:2:95209:111134,CC(C1CC1)N(C)C1(CNC2C(F)(F)CCCCC23CCC3)CCSC1,HIHMHGKFKQVRJB-UHFFFAOYSA-N
-rxn:2:95209:141226,CC(C1CC1)N(C)C1(CNC2CCC2(C)F)CCSC1,FVUBTRJWDNVNHB-UHFFFAOYSA-N
-rxn:2:95405:122593,CC(COCC1CCCCC1)NC1CCc2cc(C(C)(C)C)ccc2C1,ZVMSCBVIGASAJR-UHFFFAOYSA-N
-rxn:2:99088:132367,COCC1(NC(c2ccc(C(C)(C)C)cc2C)C2CCCC2)CCCC1,CHDZOZGDDOSPCN-UHFFFAOYSA-N
-rxn:1:10030:60941,CN(C)c1ccc2c(=O)cc(C(=O)Nc3cccc(-c4cn(CCN5CCC(CO)(C(F)(F)F)C5)nn4)c3)[nH]c2c1,AGHPYDHBCAJMKS-UHFFFAOYSA-N
-rxn:1:10210:60658,CCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)C2)nn1,KAXMCEDJEQCZGT-UHFFFAOYSA-N
-rxn:1:10211:49466,CCc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,UBQSUDWEOWKJLE-UHFFFAOYSA-N
-rxn:1:10251:49466,CCCc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,BWUXAGPYNFINAG-UHFFFAOYSA-N
-rxn:1:10251:59780,CCCc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,WBKMRMLSRFDMEP-UHFFFAOYSA-N
-rxn:1:10252:49466,CCCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,WJOCUMXRXLRLFI-UHFFFAOYSA-N
-rxn:1:10252:59780,CCCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,HSEXNHRYZXPCNM-UHFFFAOYSA-N
-rxn:1:10253:49466,CCCc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,RJTJYDGMVRVYJS-UHFFFAOYSA-N
-rxn:1:10253:59780,CCCc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,UWPUFVGNROFHNB-UHFFFAOYSA-N
-rxn:1:10269:49480,O=c1c2c3c(sc2nc(-c2ccc(Cl)cc2)n1Cc1cn(C2CCN(S(=O)(=O)N4CCOCC4)CC2)nn1)CCCC3,JCTWKGXMKSNKPG-UHFFFAOYSA-N
-rxn:1:11170:56126,CC1CCCCC1N(Cc1cn(CC2CC2c2cc(Cl)ccc2C(=O)O)nn1)S(=O)(=O)c1cccs1,SENMKEGCNFOWRD-UHFFFAOYSA-N
-rxn:1:11170:56127,CC1CCCCC1N(Cc1cn(CC2CC2c2ccc(Cl)cc2C(=O)O)nn1)S(=O)(=O)c1cccs1,LPDWHPKKVNUZIP-UHFFFAOYSA-N
-rxn:1:11170:56128,CC1CCCCC1N(Cc1cn(CC2CC2c2cc(F)ccc2C(=O)O)nn1)S(=O)(=O)c1cccs1,AXBDKTGUSHWIFG-UHFFFAOYSA-N
-rxn:1:11170:56130,CC1CCCCC1N(Cc1cn(CC2CC2c2cc(Br)ccc2C(=O)O)nn1)S(=O)(=O)c1cccs1,WKQDDMAWTIQZLQ-UHFFFAOYSA-N
-rxn:1:11170:56131,CC1CCCCC1N(Cc1cn(CC2CC2c2ccc(Br)cc2C(=O)O)nn1)S(=O)(=O)c1cccs1,VFFNDVXRTCOCSW-UHFFFAOYSA-N
-rxn:1:11170:59781,CC1CCCCC1N(Cc1cn(C2CCN(C(=O)c3cccc4ccccc34)CC2)nn1)S(=O)(=O)c1cccs1,QWKBISVDYFARPD-UHFFFAOYSA-N
-rxn:1:11170:61452,CC1CCCCC1N(Cc1cn(Cc2ccc(C(=O)N3CCCC3)s2)nn1)S(=O)(=O)c1cccs1,KKBFXOUYPDLIFZ-UHFFFAOYSA-N
-rxn:1:11170:61481,CC1CCCCC1N(Cc1cn(Cc2ccc(C(=O)N3CCSCC3)s2)nn1)S(=O)(=O)c1cccs1,UKHBXVXCGRMWBL-UHFFFAOYSA-N
-rxn:1:11510:61261,CN1C(=O)COc2cc(N(Cc3cn(C4CN(C5CCCCCCC5)C4)nn3)S(=O)(=O)c3cccs3)ccc21,IZFXIBHNEIVQNG-UHFFFAOYSA-N
-rxn:1:13364:62297,O=C(Cc1cc(F)c(F)cc1F)Nc1ccc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)cc1,SSDASQWMFWNXDR-UHFFFAOYSA-N
-rxn:1:14341:62297,CCN(CC)C(=O)c1ccc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c(F)c1,WYAOPOWBAWZTMW-UHFFFAOYSA-N
-rxn:1:14695:62297,Cc1cc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)ccc1OCC(C)(F)F,ZDCBSGCPTGELLJ-UHFFFAOYSA-N
-rxn:1:15484:59777,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(C4CCCN(S(=O)(=O)N5CCCC5)C4)nn3)c(C3CCCC3)n2)cc1,YBHDQVJWQOWGOI-UHFFFAOYSA-N
-rxn:1:16237:59718,Cc1nc(S(=O)(=O)N2CCCC(n3cc(COc4ccccc4-n4cc(Cl)c(C5CCCCC5)n4)nn3)C2)cn1C,JEAWVRZRHZTKDX-UHFFFAOYSA-N
-rxn:1:16723:49468,COc1cc(-c2cn(C3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn2)ccc1-n1ncc(N)c1C1CCCCC1,GSZZDODSGLOVGK-UHFFFAOYSA-N
-rxn:1:16723:59756,COc1cc(-c2cn(C3CCCN(S(=O)(=O)c4ccccc4C#N)C3)nn2)ccc1-n1ncc(N)c1C1CCCCC1,RUSDYJQUALFTPK-UHFFFAOYSA-N
-rxn:1:16844:59779,O=C(N=c1sc2cc3c(cc2n1Cc1cn(C2CCN(S(=O)(=O)N4CCCCCC4)CC2)nn1)OCO3)c1cnccn1,RRSBIDSANCRZFY-UHFFFAOYSA-N
-rxn:1:16857:59777,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)N5CCCC5)C4)nn3)c2C2CCC2)cc1,VJOQSGRIZODZLZ-UHFFFAOYSA-N
-rxn:1:16857:59780,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c2C2CCC2)cc1,VEUPRHDBAISLBC-UHFFFAOYSA-N
-rxn:1:16954:58397,CN(CCCn1cc(-c2cnn(CCF)c2CC2CCCC2)nn1)C1CCS(=O)(=O)C1,OVYJNPPIEQXNEZ-UHFFFAOYSA-N
-rxn:1:16974:49477,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)c5cc(C)cc(C)c5)CC4)nn3)c2C2CCCCC2)cc1,XMBOLFFPJSWLFA-UHFFFAOYSA-N
-rxn:1:17589:54756,CC(C)c1cc(-c2cn(CCC3C(c4ccc5c(c4)C(=O)C(=O)N5)C3(F)F)nn2)nn1CCN(C)C,KYKXXAXOXFXCFC-UHFFFAOYSA-N
-rxn:1:17644:54836,CN(C)CCn1nc(-c2cn(CCC3C(c4cc([N+](=O)[O-])c5cn[nH]c5c4)C3(F)F)nn2)cc1C1CCCC1,WPTMAOFBQAHGFZ-UHFFFAOYSA-N
-rxn:1:17729:54836,CN(C)CCn1nc(-c2cn(CCC3C(c4cc([N+](=O)[O-])c5cn[nH]c5c4)C3(F)F)nn2)cc1C1CCCCC1,QLZPQUCERKZOGF-UHFFFAOYSA-N
-rxn:1:18101:57779,O=[N+]([O-])c1ncccc1CCCn1cc(-c2c3c(nn2C2CCCSC2)CCN(CC(F)(F)F)C3)nn1,SONFYSMFUYKIOE-UHFFFAOYSA-N
-rxn:1:1901:61023,CS(=O)(=O)OCc1c(-c2cn(CCN3CCC(N4CCSCC4)CC3)nn2)ccc2ccccc12,VZYDHVMIBSBJAF-UHFFFAOYSA-N
-rxn:1:20854:50324,CC(C1CCCCC1)n1nc(C2CCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])cn3)C2(F)F)nn1,FLSLIYHGWXCLNU-UHFFFAOYSA-N
-rxn:1:21152:50324,CC(C1CCC1)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])cn3)C2(F)F)nn1,KVZFTABNIJFLQZ-UHFFFAOYSA-N
-rxn:1:21155:60478,CC(C1CCCCC1)n1nc(C2CCCCC2)cc1-c1cn(-c2ccccc2C(F)(F)c2nc3c([N+](=O)[O-])cccc3[nH]2)nn1,KXSRJDGFXVCLKI-UHFFFAOYSA-N
-rxn:1:22757:59428,O=[N+]([O-])c1ccc(NN=C2CCCCCCCCCCC2n2cc(-c3cncc(-n4nc(C5CCC5)c(I)c4Br)c3)nn2)c([N+](=O)[O-])c1,IMZMQSKBWDBRBP-UHFFFAOYSA-N
-rxn:1:22767:58397,CN(CCCn1cc(-c2cncc(-n3nc(C4CCCCC4)c(Br)c3N)c2)nn1)C1CCS(=O)(=O)C1,UKNKXOFEADZFHO-UHFFFAOYSA-N
-rxn:1:22768:58397,CN(CCCn1cc(-c2cncc(-n3nc(C4CCCCC4)c(Cl)c3N)c2)nn1)C1CCS(=O)(=O)C1,BIUCLBZWSHNDDX-UHFFFAOYSA-N
-rxn:1:22769:58397,CN(CCCn1cc(-c2cncc(-n3nc(C4CCCCC4)c(I)c3N)c2)nn1)C1CCS(=O)(=O)C1,BXEIOCRIKXNIET-UHFFFAOYSA-N
-rxn:1:22786:58397,CN(CCCn1cc(-c2cncc(-n3nc(C4CCCCC4)c(I)c3O)c2)nn1)C1CCS(=O)(=O)C1,PENVVNKXXSQXQZ-UHFFFAOYSA-N
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-rxn:1:31968:44540,CC(=O)c1ccc(C#CCCn2cc(N(CC3COC(C)(C)O3)S(C)(=O)=O)nn2)cn1,UFXMCGMBMCUVNR-UHFFFAOYSA-N
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-rxn:1:4338:46294,C=C(C)Cn1c(SCc2cn(CCC=Cc3cnc(Cl)c([N+](=O)[O-])c3)nn2)nc2sc3c(c2c1=O)CC(C)(C)OC3,HSIUYMZCKATEAD-UHFFFAOYSA-N
-rxn:1:4391:59744,Cc1ccc(CNC2CCN(Cc3cn(C4CCCN(S(=O)(=O)c5ccc(C)s5)C4)nn3)CC2)s1,RRQBLZLKVFRRFD-UHFFFAOYSA-N
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-rxn:1:46085:38297,O=C=Nc1ccccc1C=CCCn1cc(CN2CCNCCNCCNCC2)nn1,YEMUDCIJBJSAMI-UHFFFAOYSA-N
-rxn:1:4789:59780,O=c1c2sccc2nc(SCc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)n1Cc1ccco1,ABEZZJMQZBPGMA-UHFFFAOYSA-N
-rxn:1:49460:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(C4CCN(S(=O)(=O)c5cn(C)c(C)n5)CC4)nn3)c(C3CCCC3)n2)cc1,IKZVVVKICPTMPA-UHFFFAOYSA-N
-rxn:1:49464:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(C4CCN(S(=O)(=O)C5CC5)CC4)nn3)c(C3CCCC3)n2)cc1,RUKOTKHCUFVWRS-UHFFFAOYSA-N
-rxn:1:49466:8196,Nc1nc(-c2ccccc2)nc2nc(C3CCCN(C(=O)c4cn(C5CCN(S(=O)(=O)C6CCCCC6)CC5)nn4)C3)ccc12,UHDQHIJJBSBWCM-UHFFFAOYSA-N
-rxn:1:49479:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(C4CCN(S(=O)(=O)N5CCCC5)CC4)nn3)c(C3CCCC3)n2)cc1,WWFQQZAAGVZADL-UHFFFAOYSA-N
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-rxn:1:50092:38297,O=[N+]([O-])c1c[nH]c(C2C(Cn3cc(CN4CCNCCNCCNCC4)nn3)C2(F)F)n1,WLGGMKRBGBJUNP-UHFFFAOYSA-N
-rxn:1:50323:17729,CN(C)CCn1nc(-c2cn(CC3C(c4cc([N+](=O)[O-])ccn4)C3(F)F)nn2)cc1C1CCCCC1,KDLPKWSEBMIWLR-UHFFFAOYSA-N
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-rxn:1:50323:21975,CC(C1CCC1)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])ccn3)C2(F)F)nn1,JDUMYJSCXUCVBU-UHFFFAOYSA-N
-rxn:1:50323:21976,CC(C1CCCC1)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3cc([N+](=O)[O-])ccn3)C2(F)F)nn1,GVQGKGFSKJLHON-UHFFFAOYSA-N
-rxn:1:50323:6197,CCOC(=O)C1CCCN(c2cc(-c3cn(CC4C(c5cc([N+](=O)[O-])ccn5)C4(F)F)nn3)ncn2)C1,KRZJOBXPPYXUSU-UHFFFAOYSA-N
-rxn:1:50324:17729,CN(C)CCn1nc(-c2cn(CC3C(c4ccc([N+](=O)[O-])cn4)C3(F)F)nn2)cc1C1CCCCC1,CUIXGDQVXPAEPH-UHFFFAOYSA-N
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-rxn:1:50324:21149,CC(C1CC1)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])cn3)C2(F)F)nn1,WVJFTTBNNMOUFC-UHFFFAOYSA-N
-rxn:1:50324:21976,CC(C1CCCC1)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])cn3)C2(F)F)nn1,OLABKGBDZFOXIY-UHFFFAOYSA-N
-rxn:1:50324:6197,CCOC(=O)C1CCCN(c2cc(-c3cn(CC4C(c5ccc([N+](=O)[O-])cn5)C4(F)F)nn3)ncn2)C1,FPLYUWAFRGMPBK-UHFFFAOYSA-N
-rxn:1:50332:19979,CCOc1ncc(C2C(Cn3cc(C4(NS(=O)(=O)c5ccc([N+](=O)[O-])cc5)CCCCC4)nn3)C2(F)F)cn1,DYWGXMLZUKXVST-UHFFFAOYSA-N
-rxn:1:5046:49480,CCc1nc2scc(-c3cc(C)ccc3Br)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCOCC3)CC2)nn1,HWTWFVHUFNDPOL-UHFFFAOYSA-N
-rxn:1:50779:17644,CN(C)CCn1nc(-c2cn(CC3C(c4cnc(Cl)c([N+](=O)[O-])c4)C3(F)F)nn2)cc1C1CCCC1,UBJJCVUAYGWRCZ-UHFFFAOYSA-N
-rxn:1:50779:17729,CN(C)CCn1nc(-c2cn(CC3C(c4cnc(Cl)c([N+](=O)[O-])c4)C3(F)F)nn2)cc1C1CCCCC1,BBEUAXQMZKBHLV-UHFFFAOYSA-N
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-rxn:1:51179:17623,N#Cc1ncc(C2C(Cn3cc(-c4cc(C5CCC5)n(C5CCCCC5)n4)nn3)C2(F)F)cc1[N+](=O)[O-],FJPOTYPYSJCIEK-UHFFFAOYSA-N
-rxn:1:51306:24331,O=[N+]([O-])c1ccc(OCC2CCCC2)c(-c2cn(CC3C(c4ccc(N5CCNCC5)cc4)C3(F)F)nn2)c1,WLZOENXKIKCUNH-UHFFFAOYSA-N
-rxn:1:51318:24331,O=[N+]([O-])c1ccc(OCC2CCCC2)c(-c2cn(CC3C(c4ccc(C5CCNCC5)cc4)C3(F)F)nn2)c1,OEFHQQDZEBMVPE-UHFFFAOYSA-N
-rxn:1:54708:17589,CC(C)c1cc(-c2cn(CCC3C(c4ccc5c(c4)C(=O)CCC5)C3(F)F)nn2)nn1CCN(C)C,XKZHATDBXRYMSH-UHFFFAOYSA-N
-rxn:1:54763:17589,CC(C)c1cc(-c2cn(CCC3C(c4ccc5c(c4)CCC(=O)N5)C3(F)F)nn2)nn1CCN(C)C,GHICWYYEUMKPIW-UHFFFAOYSA-N
-rxn:1:57506:18101,O=[N+]([O-])c1ccc(CCCn2cc(-c3c4c(nn3C3CCCSC3)CCN(CC(F)(F)F)C4)nn2)s1,KPEDFPWCHJCODY-UHFFFAOYSA-N
-rxn:1:57781:18101,O=[N+]([O-])c1cccnc1CCCn1cc(-c2c3c(nn2C2CCCSC2)CCN(CC(F)(F)F)C3)nn1,SSVGYNHCNHSEBE-UHFFFAOYSA-N
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-rxn:1:59729:22767,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(n2cc(-c3cncc(-n4nc(C5CCCCC5)c(Br)c4N)c3)nn2)C1,ZVHVVPLEWHYXQG-UHFFFAOYSA-N
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-rxn:1:59780:10252,CCCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,HSEXNHRYZXPCNM-UHFFFAOYSA-N
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-rxn:1:59780:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c2C2CCC2)cc1,VEUPRHDBAISLBC-UHFFFAOYSA-N
-rxn:1:59780:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c2C2CCCCC2)cc1,JSYWKKSANYNBQK-UHFFFAOYSA-N
-rxn:1:60300:10210,CCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)C3CCCCC3)C2)nn1,NEHMGLOYUAIZMU-UHFFFAOYSA-N
-rxn:1:60304:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)N5CCOCC5)C4)nn3)c2C2CCCCC2)cc1,XRUIKRWMLYNQQB-UHFFFAOYSA-N
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-rxn:1:60658:10252,CCCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)C2)nn1,MTORJRFSIQUQAL-UHFFFAOYSA-N
-rxn:1:60658:10253,CCCc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)C2)nn1,BJJHPLQQZHPVQY-UHFFFAOYSA-N
-rxn:1:60658:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c(C3CCCC3)n2)cc1,GHHMWUPTFFKNDL-UHFFFAOYSA-N
-rxn:1:60658:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c2C2CCC2)cc1,DFPWKPCKJZJANI-UHFFFAOYSA-N
-rxn:1:60658:17103,Nc1cc(C2CCC2)n(-c2ccc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)cc2)n1,LJSURIKENSKNLK-UHFFFAOYSA-N
-rxn:1:60658:39743,Nc1cc(-c2cc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)ccn2)c([N+](=O)[O-])cc1Br,JSJDYNQQTITFTL-UHFFFAOYSA-N
-rxn:1:60658:920,CN(Cc1cccc(N)c1)Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)C2)nn1,ARDFZMCKQPPXHM-UHFFFAOYSA-N
-rxn:1:60903:23845,COC1CCOC2(CCN(CCn3cc(CNS(=O)(=O)c4ccc(S(=O)(=O)Cl)cc4)nn3)C2)C1,VRFJIMVJSHNINM-UHFFFAOYSA-N
-rxn:1:60907:29662,O=[N+]([O-])c1ccc(N2CCCC(F)(F)C2)cc1-c1cn(CCN(C2CC2)C2CCSC2)nn1,AIHACWXKQGQRHR-UHFFFAOYSA-N
-rxn:1:60907:29665,O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)cc1-c1cn(CCN(C2CC2)C2CCSC2)nn1,DPOPGDMIDQPGQU-UHFFFAOYSA-N
-rxn:1:60907:29666,O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)cc1-c1cn(CCN(C2CC2)C2CCSC2)nn1,PPVKLFGUJVGVIQ-UHFFFAOYSA-N
-rxn:1:60912:29662,O=[N+]([O-])c1ccc(N2CCCC(F)(F)C2)cc1-c1cn(CCN(C2CCSCC2)C2CC2)nn1,LYCJYPZCMKJAJZ-UHFFFAOYSA-N
-rxn:1:60912:29665,O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)cc1-c1cn(CCN(C2CCSCC2)C2CC2)nn1,WKMLNAMSVWWGJE-UHFFFAOYSA-N
-rxn:1:60912:29666,O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)cc1-c1cn(CCN(C2CCSCC2)C2CC2)nn1,REJIEEKWLKVYCB-UHFFFAOYSA-N
-rxn:1:60912:9815,O=[N+]([O-])C=Cc1cc(Br)ccc1OCc1cn(CCN(C2CCSCC2)C2CC2)nn1,SEUCWODTKYUXTN-UHFFFAOYSA-N
-rxn:1:61008:17240,ON=Cc1cc(C2CCCC2)n(-c2ccc(-c3cn(CCN4CC5CCC(F)(F)C5C4)nn3)cc2)n1,LCTXAVUHGCUUTO-UHFFFAOYSA-N
-rxn:1:61026:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(CCN4CCC(N5CCCC5)CC4)nn3)c(C3CCCC3)n2)cc1,BMHTWJBDVFSGSR-UHFFFAOYSA-N
-rxn:1:61026:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CCC(N5CCCC5)CC4)nn3)c2C2CCC2)cc1,DIVKKRGZRLVOJX-UHFFFAOYSA-N
-rxn:1:61026:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CCC(N5CCCC5)CC4)nn3)c2C2CCCCC2)cc1,MSOXFOPBELEMNB-UHFFFAOYSA-N
-rxn:1:61029:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CCN(C5CCSC5)CC4)nn3)c2C2CCC2)cc1,TVQJPTQSRROCEJ-UHFFFAOYSA-N
-rxn:1:61035:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CCN(C5CCC5)CC4)nn3)c2C2CCC2)cc1,YLFNKYKFGDMACK-UHFFFAOYSA-N
-rxn:1:61261:11511,CN1C(=O)COc2ccc(N(Cc3cn(C4CN(C5CCCCCCC5)C4)nn3)S(=O)(=O)c3cccs3)cc21,ULOBJTCJXVAMBU-UHFFFAOYSA-N
-rxn:1:61426:29662,O=C(c1ccc(Cn2cc(-c3cc(N4CCCC(F)(F)C4)ccc3[N+](=O)[O-])nn2)o1)N1CCSCC1,PARMZXGPNUOUIZ-UHFFFAOYSA-N
-rxn:1:61876:17348,CS(=O)(=O)N1CCC(C(=O)N=c2sc3cc4c(cc3n2Cc2cn(CC3OCCNCC3(F)F)nn2)OCCO4)CC1,ZYFDPCFVCWWXKI-UHFFFAOYSA-N
-rxn:1:61924:29664,Nc1nc(-n2cc(-c3cc(N4CCC(C(F)(F)F)CC4)ccc3[N+](=O)[O-])nn2)nc2c1ncn2C1OC(CO)C(O)C1O,JNVHOFAFILYFFO-UHFFFAOYSA-N
-rxn:1:62136:29664,Nc1ncnc2c1nc(-n1cc(-c3cc(N4CCC(C(F)(F)F)CC4)ccc3[N+](=O)[O-])nn1)n2C1OC(CO)C(O)C1O,BCBOZEWTNSPOID-UHFFFAOYSA-N
-rxn:1:62297:12621,O=C(Cc1cc(F)c(F)cc1Br)Nc1ccc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)cc1,UHQDMUIEIVNVNX-UHFFFAOYSA-N
-rxn:1:62297:14017,N#Cc1cc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)ccc1OCC(F)(F)F,BNPPNYRITHQMQG-UHFFFAOYSA-N
-rxn:1:62297:28772,CNCC1C(c2ccc(-c3cn(C4CC(n5ccc(=O)[nH]c5=O)OC4COP(=O)(O)O)nn3)cc2)C1(F)F,YYSLYSYOQNYMBG-UHFFFAOYSA-N
-rxn:1:62297:33117,CSCC(=O)Nc1ncc(Br)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,YRFGGJFFMLMWAX-UHFFFAOYSA-N
-rxn:1:62297:33619,CCC(C)(NC(=O)c1ccc2ncc(Br)cc2c1)c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,ZVZDBAXPQJXVMP-UHFFFAOYSA-N
-rxn:1:62297:34357,CC(C)(C)CC(=O)Nc1ncc(Br)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,VLPQFSNPYPVVTM-UHFFFAOYSA-N
-rxn:1:62297:34409,Cc1cc(C(=O)N(C)c2ccc(F)cc2F)ccc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,ZTVMILVXKGFXDL-UHFFFAOYSA-N
-rxn:1:62297:34691,Cc1cccc(CN(C)C(=O)c2ccc(-c3cn(C4CC(n5ccc(=O)[nH]c5=O)OC4COP(=O)(O)O)nn3)cc2Cl)c1,PMYGWKNCJWJIQO-UHFFFAOYSA-N
-rxn:1:62297:35120,CC(C)(C(=O)Nc1ccc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)nc1)c1cccc(Cl)c1,UZJKBTPBGCSVMR-UHFFFAOYSA-N
-rxn:1:62297:35933,CCCOc1ccc(-c2cccc(-c3cn(C4CC(n5ccc(=O)[nH]c5=O)OC4COP(=O)(O)O)nn3)c2F)c(F)c1F,LFLOBUHJPSJUSG-UHFFFAOYSA-N
-rxn:1:62297:38526,CN(Cc1ccc(Cl)nc1)C(C)(C)c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,DWZPQBFRTMLZJQ-UHFFFAOYSA-N
-rxn:1:62297:5190,CCCC(Cc1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1)c1cc(Cl)ccc1Cl,GWRIEGIUVBZLNM-UHFFFAOYSA-N
-rxn:1:62297:8526,C[N+](C)(CC(=O)c1ccc(Cl)cc1)Cc1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,DMOZLROQQODMGQ-UHFFFAOYSA-O
-rxn:1:631:59779,Nc1ccc(S(=O)(=O)Nc2cccc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)c2)cc1,FCYMJGVILPBVKK-UHFFFAOYSA-N
-rxn:1:63681:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCCN4CCSCC4)nn3)c2C2CCCCC2)cc1,JSLSXUJACROCGL-UHFFFAOYSA-N
-rxn:1:63681:29662,O=[N+]([O-])c1ccc(N2CCCC(F)(F)C2)cc1-c1cn(CCCN2CCSCC2)nn1,ZOGGDICYKXHFKE-UHFFFAOYSA-N
-rxn:1:63681:29665,O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)cc1-c1cn(CCCN2CCSCC2)nn1,AYKKSCHMNBWFHT-UHFFFAOYSA-N
-rxn:1:64734:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CC4CC(=O)N(c5ccc(N6CCOCC6)cn5)C4)nn3)c2C2CCCCC2)cc1,FZAXBOIRCUCGLZ-UHFFFAOYSA-N
-rxn:1:8196:59740,Nc1nc(-c2ccccc2)nc2nc(C3CCCN(C(=O)c4cn(C5CCCN(S(=O)(=O)C6CC6)C5)nn4)C3)ccc12,WPETZZFTFGNVFA-UHFFFAOYSA-N
-rxn:1:8313:58397,CN(CCCn1cc(C(=O)N2CCC(c3nccnc3-n3ccnc3)CC2)nn1)C1CCS(=O)(=O)C1,DKGVVSPIRAGHKV-UHFFFAOYSA-N
-rxn:1:920:59779,CN(Cc1cccc(N)c1)Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,MXKCXAHYAVBKPZ-UHFFFAOYSA-N
-rxn:1:920:59780,CN(Cc1cccc(N)c1)Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,XMJFZFYHXXYNBV-UHFFFAOYSA-N
-rxn:2:101447:109246,CCC(NCC(C1CCCCC1)N(C)C(C)C)C1(F)CC1,CGYOFMDMKXHXDU-UHFFFAOYSA-N
-rxn:2:103603:113250,CC(CCCCN1CCCSCC1)NCC1(F)CCN(C)C1,IAHIUAQELPINII-UHFFFAOYSA-N
-rxn:2:103603:122142,CC(CCCCN1CCCC1C)NCC1(F)CCN(C)C1,FLDFELRBOXORKU-UHFFFAOYSA-N
-rxn:2:103603:128070,CC(CCCCN1CCCC(C)C1C)NCC1(F)CCN(C)C1,RZFBBKTWZFXJRM-UHFFFAOYSA-N
-rxn:2:105079:155181,CCC(Nc1ccc2c(c1)CN(CCCOC)CC21CC1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,HRVBIYUQLGWKRW-UHFFFAOYSA-N
-rxn:2:105086:120261,CC(CCN(C)C(C)C)N[C@H]1CC[C@@H](CN2CC(C)(F)C2)CC1,ZUNFZLGNTOATSS-AYHJJNSGSA-N
-rxn:2:105086:134391,CC1(F)CN(C[C@H]2CC[C@@H](NC3CCCc4c3cnn4COCC[Si](C)(C)C)CC2)C1,SLKHEXMWZQVGLP-RLAPIPATSA-N
-rxn:2:105660:117602,CCCN(C)C1CCCCC1NCCCCN1CCC(F)(F)CC1,UBBRGOCQCIXZHN-UHFFFAOYSA-N
-rxn:2:105763:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cncnc2OC2CCCC2N2CCCC2)cn1,YWBBRPDMJWJPDU-UHFFFAOYSA-N
-rxn:2:106196:105350,CC(NCc1ccnc(N2CCS(=O)(=O)CC2)n1)c1cnccc1OCCN1CCOCC1,ZHHFCCOJCAAONY-UHFFFAOYSA-N
-rxn:2:107304:130148,CC(NCC1(N(C)C)CCC(F)(F)CC1)c1nc2c(n1CCN1CCOCC1)CCCC2,GHHVTYIBGVJLMY-UHFFFAOYSA-N
-rxn:2:108040:114498,CCC(CN1CCC(N(C)C)CC1)Nc1cn(C)nc1SCC(C)C,LNNQHZDSAYVLNS-UHFFFAOYSA-N
-rxn:2:108806:147270,CC(NCC1CCC2(CCS(=O)(=O)CC2)O1)c1sccc1-c1ccc(S(C)(=O)=O)nc1,FATFYSCVCKCADC-UHFFFAOYSA-N
-rxn:2:108806:156809,CC(NCC1CCC2(CCS(=O)(=O)CC2)O1)c1ncccc1-c1ccc(S(C)(=O)=O)nc1,QMWOMSINFGVMGP-UHFFFAOYSA-N
-rxn:2:109523:147839,COC1C(C)C(NC(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)OCCO3)C12CCC2,PQUOTEXHMXUAST-UHFFFAOYSA-N
-rxn:2:110440:158598,CC(NCCS(=O)(=O)C1CCOCC1)c1cnc(-c2cnc(N3CCOCC3)nc2)cn1,RUJJNGOKJAYXCG-UHFFFAOYSA-N
-rxn:2:110440:161973,CC(NCCS(=O)(=O)C1CCOCC1)c1cccc(-c2cnc(N3CCOCC3)nc2)n1,JOGLTMLWQUMVFS-UHFFFAOYSA-N
-rxn:2:110523:114374,CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC2CC(C[Si](C)(C)C)C23CCCCC3)n1,AROIIRBUSBMPDA-OMYXNUHHSA-N
-rxn:2:110698:124948,CC(CCCN(C)C(C)C)NCCN1CCC(F)(F)CC1,JUIFRNFVCKADPC-UHFFFAOYSA-N
-rxn:2:110698:138126,CC(CCCN(C)C(C)C)NCC(F)(F)CN1CCCSCC1,MKOZBVQPHNIAAK-UHFFFAOYSA-N
-rxn:2:110698:140627,CC(CCCN(C)C(C)C)NCC1(F)CCN(C2CCC2)CC1,VYETZCPIVPBBGB-UHFFFAOYSA-N
-rxn:2:111431:159074,CCS(=O)(=O)C1(CNC(C)c2sccc2-c2csc(N3CCOCC3)n2)CCCC1,SVAPVOLZKAGKLJ-UHFFFAOYSA-N
-rxn:2:111538:143097,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1cccc(-c2ccnc(N3CCN(C)CC3)c2)n1,BGZRPSCPGQRGII-AYCAFKJYSA-N
-rxn:2:111538:149971,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)ccn1,LZSHSHTXTGWBTN-ZIQGHWNSSA-N
-rxn:2:111538:151993,COc1cc(-c2ccc(OC(C)N[C@H]3CC[C@H](OS(C)(=O)=O)CC3)cc2)cnc1C(C)=O,IRHFLGSWLNWKCP-UWNNQQLZSA-N
-rxn:2:111538:155971,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1ccnc(-c2ccnc(N3CCN(C)CC3)c2)c1,KQFRHIHDOACKDH-ZIQGHWNSSA-N
-rxn:2:111538:169648,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1sccc1-c1ccccc1C1=NC(C)(C)CO1,LCOFXPIQHLNBIF-ZNUUHSPMSA-N
-rxn:2:112552:168553,Cc1nc2nc(N3CCCCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)C)CCC(c2ccco2)C1,IRYXESQMJCVRFS-UHFFFAOYSA-N
-rxn:2:113048:152807,COS(=O)(=O)c1ccc(-c2ccsc2C(C)NCC2CCOC23CCS(=O)(=O)CC3)cc1,FGLPXMULDIYZIH-UHFFFAOYSA-N
-rxn:2:113048:162583,CS(=O)(=O)n1cc(-c2ccc(C(NCC3CCOC34CCS(=O)(=O)CC4)C3CC3)cc2)cn1,CQRKUUBKBWBXKD-UHFFFAOYSA-N
-rxn:2:113378:144694,CCOc1ccc(-c2ccc(C(NOCC3CCN(C4CCS(=O)(=O)C4)CC3)C3CC3)cc2)cn1,FSLQTHSJPJOYOU-UHFFFAOYSA-N
-rxn:2:113378:154985,CC(C)C(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccc(=O)[nH]n2)cc1,BELDTQQXKVOYCY-UHFFFAOYSA-N
-rxn:2:113378:162862,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cccc(-c2cccn(C)c2=O)n1,YVCNXCOWMWIFAD-UHFFFAOYSA-N
-rxn:2:113378:166268,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ncc(-c2cccn(C)c2=O)cn1,RVTUKXXDAIJBOD-UHFFFAOYSA-N
-rxn:2:113527:120702,CC(C)C1C(F)(F)C12CCC(NCc1ccnc(N3CCC(N(C)C)CC3)n1)CC2,MQTGTUIOWWHNLI-UHFFFAOYSA-N
-rxn:2:114498:138126,CCC(CN1CCC(N(C)C)CC1)NCC(F)(F)CN1CCCSCC1,KJTGHSMEAMCHFT-UHFFFAOYSA-N
-rxn:2:117602:124086,CCCCN(C)C1CCCC1NCCCCN1CCC(F)(F)CC1,VMTPUNYPAAUWQF-UHFFFAOYSA-N
-rxn:2:117602:160479,CN(C)CCn1nc(C2CCCCC2)c2c1CCCC2NCCCCN1CCC(F)(F)CC1,UGZZIBNDDRCMBC-UHFFFAOYSA-N
-rxn:2:118776:161972,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1sccc1-c1ccn(C2COC2)n1,LQBYADOLVHGLFG-UHFFFAOYSA-N
-rxn:2:118925:136378,COc1cccc(S(=O)(=O)F)c1NC1CCN(CCOS(C)(=O)=O)CC1,GQIWGQMSTGCQFF-UHFFFAOYSA-N
-rxn:2:120261:138126,CC(CCN(C)C(C)C)NCC(F)(F)CN1CCCSCC1,PKWXYDLNQFFUIL-UHFFFAOYSA-N
-rxn:2:121007:122593,CC(COCC1CCCCC1)NC1CCCCCC1c1ccc(C(C)(C)C)cc1,JNSXNCCJOLCVFF-UHFFFAOYSA-N
-rxn:2:122142:123788,CC(CCCCN1CCCC1C)NCC1(F)CN(C)C1,ASVINCJSVHQWKK-UHFFFAOYSA-N
-rxn:2:122614:164678,COc1ccc(OCC2CCC2)cc1NC1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1,YXYPPTUSKLFQJH-UHFFFAOYSA-N
-rxn:2:122614:166041,COc1ccc(OCC2CCC2)cc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,UKHVDWOXOMMZRJ-UHFFFAOYSA-N
-rxn:2:124533:129656,COCC1C(F)(F)C12CCC(Nc1cnc(N(C)C)nc1N(C)C)CC2,IDEUQJUCDGLYBB-UHFFFAOYSA-N
-rxn:2:124533:137911,COCC1C(F)(F)C12CCC(Nc1cc(OCC(C)C)nc(C(C)C)n1)CC2,KNZBTEKKSSEXGV-UHFFFAOYSA-N
-rxn:2:125331:162580,CCC(Nc1c(OC2COC2)ccnc1OC1COC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,UUHJEIQAVRIXHJ-UHFFFAOYSA-N
-rxn:2:126811:169812,CCC(C)C(CN1CCCN(C)CC1)NC(c1ccc(-c2c[nH]c(=O)c3ccccc23)cc1)C(C)C,KBANFMYAOMBKEH-UHFFFAOYSA-N
-rxn:2:128840:124533,COCC1C(F)(F)C12CCC(Nc1c(C)c(C)nn1CCCN(C)C)CC2,IIYKUASVHNQBQO-UHFFFAOYSA-N
-rxn:2:132109:164678,COc1cccc(OC2CCCC2)c1NC1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1,VHLYKDJHOQQTOK-UHFFFAOYSA-N
-rxn:2:132109:166041,COc1cccc(OC2CCCC2)c1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,OKKUZQUOVBUWIU-UHFFFAOYSA-N
-rxn:2:136190:136469,CC(C1CC1)N1CCCCC1CNCCN1CC[Si](C)(C)CC1,LZEAOWLKLQGKJX-UHFFFAOYSA-N
-rxn:2:136895:138546,CC(C)OCCN1CCC(Nc2ccc(N3CCC(N(C)C)CC3)cn2)CC1,WWDWNJCDZUAGNL-UHFFFAOYSA-N
-rxn:2:138126:133016,CC(CCN(C)CC1CC1)NCC(F)(F)CN1CCCSCC1,KFNNUNHCEWGZLK-UHFFFAOYSA-N
-rxn:2:138576:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2c(C3CCC3)c(C3CCC3)nn2C2CC2)cn1,GINSWPSMGAMZBU-UHFFFAOYSA-N
-rxn:2:139310:159916,COc1ccc(C(NCC2CC(OS(C)(=O)=O)C2)C23CN4CN(CN(C4)C2)C3)cc1,IQFBOCVTNMDJIJ-UHFFFAOYSA-N
-rxn:2:140982:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cnc(OCC3CCCCN3C3CC3)nc2)cn1,KLFQTOISFNRNQF-UHFFFAOYSA-N
-rxn:2:148780:161008,CC(NCc1cc(=O)[nH]n1C1CCCS(=O)(=O)C1)c1ncc(-c2ccccc2CN2CCOCC2)cn1,LGEKQMAMNLBWBY-UHFFFAOYSA-N
-rxn:2:148937:161008,CC(NCc1cc(=O)[nH]n1C1CCCS(=O)(=O)C1)c1ncc(-c2ccc(OC3CCOCC3)cc2)cn1,RXTBMQMUVUJVEG-UHFFFAOYSA-N
-rxn:2:150092:161008,CC(NCc1cc(=O)[nH]n1C1CCCS(=O)(=O)C1)c1cnc(-c2ccc(OC3CCOCC3)nc2)cn1,YRCWMSMZXMIHJX-UHFFFAOYSA-N
-rxn:2:157696:161008,CC(C)c1nc(-c2ccccn2)cc(N2CCC(NCc3cc(=O)[nH]n3C3CCCS(=O)(=O)C3)CC2)n1,GKICCOMWGKHQJV-UHFFFAOYSA-N
-rxn:2:161008:167688,Cc1cc(-c2cnc(N3CCOCC3)nc2)ccc1C(C)NCc1cc(=O)[nH]n1C1CCCS(=O)(=O)C1,VGILNDBBILAURV-UHFFFAOYSA-N
-rxn:2:66007:74153,CC(CCOCC1CCOC1)Nc1cccnc1N1CCC(N(C)C)CC1,WXZMAYSITUVWOV-UHFFFAOYSA-N
-rxn:2:66038:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCC(OS(C)(=O)=O)CC2)cn1,VKCSNAGONCITCF-UHFFFAOYSA-N
-rxn:2:66318:110698,CC(CCCN(C)C(C)C)NC1CCN(CC2(F)CCSCC2)CC1,IJKGRRXWXKKVKO-UHFFFAOYSA-N
-rxn:2:66318:120261,CC(CCN(C)C(C)C)NC1CCN(CC2(F)CCSCC2)CC1,WTDRBMCTVZSFTA-UHFFFAOYSA-N
-rxn:2:66355:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCC3(CC2)CS(=O)(=O)C3)cn1,CLPNENRCTJSBFI-UHFFFAOYSA-N
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-rxn:2:67132:152317,CC(NCC1CCN(C2CCN(C3CC3)CC2)C1)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2,LOOPLHOFKYJQEV-UHFFFAOYSA-N
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-rxn:2:67474:160479,CCC1C(F)(F)C12CCC(NC1CCCc3c1c(C1CCCCC1)nn3CCN(C)C)CC2,LHXNTYXFTFEFCF-UHFFFAOYSA-N
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-rxn:2:70510:128070,CC(CCCCN1CCCC(C)C1C)NCC1(F)CCN(C)CC1,CYVWUAKLBRNYOW-UHFFFAOYSA-N
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-rxn:2:71431:86839,CC(CCN(C)C1CCN(C)CC1)NCC(F)(F)CN1CCSCCC1C,KDMSTHCBHOGUBT-UHFFFAOYSA-N
-rxn:2:71431:98788,CCC(CN(C)C1CCN(C)CC1)NCC(F)(F)CN1CCSCCC1C,RXVONDQXYQGKLN-UHFFFAOYSA-N
-rxn:2:73491:138126,CCCC(CN(C)C1CC1)NCC(F)(F)CN1CCCSCC1,SVPPJUNKPXXZLT-UHFFFAOYSA-N
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-rxn:2:74153:88938,CC(C)C(Nc1cccnc1N1CCC(N(C)C)CC1)c1cnc(N2CCOCC2)s1,VNAWOXVVICDPJX-UHFFFAOYSA-N
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-rxn:2:76229:104280,Cc1cccc(C(COCC2CCOC2)NCC2CCC[Si](C)(C)CC2)c1,WAJOKHJMBAWKBY-UHFFFAOYSA-N
-rxn:2:76442:108579,CCN1CCC(N(C)CCC(C)NCC(F)(F)CN2CCSCC(C)C2)CC1,LCIJYDQSPKDIKI-UHFFFAOYSA-N
-rxn:2:76442:136205,CCN1CCC(N(C)CCC(C)NCC(F)(F)CN2CCSC(C)CC2)CC1,MSCZZPPRMYCDLF-UHFFFAOYSA-N
-rxn:2:76442:138126,CCN1CCC(N(C)CCC(C)NCC(F)(F)CN2CCCSCC2)CC1,DYECDZXLBIICPN-UHFFFAOYSA-N
-rxn:2:76442:95048,CCN1CCC(N(C)CCC(C)NCCCN2CCC(F)(F)CC2)CC1,SEJKDPAIUKZJFX-UHFFFAOYSA-N
-rxn:2:76442:96268,CCN1CCC(N(C)CCC(C)NCC(F)(F)CN2CCSC(C)C2)CC1,JNWRIDDDSBUHGI-UHFFFAOYSA-N
-rxn:2:76442:96810,CCN1CCC(N(C)CCC(C)NCC(F)(F)CN2CCSCC2C)CC1,CMEBDXCNARJZCT-UHFFFAOYSA-N
-rxn:2:76539:108579,CC1CSCCN(CC(F)(F)CNC(C)CCCN(C)C2CCCC2)C1,UIOQMQBWJKSDOW-UHFFFAOYSA-N
-rxn:2:76539:84943,CC(CCCN(C)C1CCCC1)NCC1C(F)(F)C12CC2,RYPWHPCVHYXZAW-UHFFFAOYSA-N
-rxn:2:77968:103638,CC1CCC(Nc2cc([C@@H]3C[C@@H]3F)[nH]n2)C(CN(C)C(C)C2CC2)C1,WLTYTNQBRVOTQE-UNIMRAMNSA-N
-rxn:2:79124:87496,CCC(NCC1(S(=O)(=O)C2CCCC2)COC1)c1cccc(S(=O)(=O)F)c1,XNASJXWLLRARJH-UHFFFAOYSA-N
-rxn:2:79331:153933,COc1cc2c(cc1-c1ccn(C3COC3)n1)CCC2NCC1(CCN(C)C)CC(F)(F)C1,HCWJNLJBQAJGRA-UHFFFAOYSA-N
-rxn:2:79793:80610,CC(CCCCN1CCCN(C)CC1)Nc1cc(OCC2CC2)[nH]n1,QORQQMDEPACGSL-UHFFFAOYSA-N
-rxn:2:79800:143709,CS(C)(=O)=NS(=O)(=O)CCNC1CCOc2cc(-c3cnn(C4CCCCO4)c3)ccc21,CGUNJAOURXWWLB-UHFFFAOYSA-N
-rxn:2:79800:159310,CS(C)(=O)=NS(=O)(=O)CCNC(c1ccc(-c2cnn(C3CCOCC3)c2)cc1)C1CC1,FYLPUNJIQTVJDU-UHFFFAOYSA-N
-rxn:2:79800:164610,CS(C)(=O)=NS(=O)(=O)CCNC1COc2cccc(-c3ccnn3C3CCCCO3)c21,GQSTVCRYHJPBMW-UHFFFAOYSA-N
-rxn:2:80298:144363,Cc1c2c(nn1COCC[Si](C)(C)C)C(NC(c1ccc3[nH]c(=O)[nH]c3c1)C1CCCCO1)CC2,AQJSQGMBDNLKFK-UHFFFAOYSA-N
-rxn:2:81859:121429,CCN(C)CC(F)(F)CNC1CCN2CCCC2(C)C1,AZSSLYQXNWMTMP-UHFFFAOYSA-N
-rxn:2:83263:101573,CCC1(NC2CCN(CCCCN(C)C)C(C)C2)CCC(F)(F)CC1,CMHPTQTYFLKDLC-UHFFFAOYSA-N
-rxn:2:83263:131354,CCN1CCC(F)(CNC2CCN(CCCCN(C)C)C(C)C2)CC1,FYHPQTJAXQNCOR-UHFFFAOYSA-N
-rxn:2:83653:103931,CC1C(F)(F)C12CCC(Nc1cnc(N3CCOCC3)nc1N(C)C)CC2,GZJSVTNOHSSFDG-UHFFFAOYSA-N
-rxn:2:83653:99753,CC1C(F)(F)C12CCC(Nc1cn(CCN(C)C)nc1C1CCCCC1)CC2,ODNUPVYVFDVBHM-UHFFFAOYSA-N
-rxn:2:84875:104280,Cc1cccc(C(COCC2CCOC2)NC2CCC[Si](C)(C)CC2)c1,ZWWZXQOZKXBAQQ-UHFFFAOYSA-N
-rxn:2:85183:120702,CC(C)C1C(F)(F)C12CCC(Nc1cncc(OCCN(C)C)n1)CC2,LATHWGBNEQHHTB-UHFFFAOYSA-N
-rxn:2:85335:84988,CC(C)Cc1nc(-c2sccc2NC2CCOC3(CCC(N(C)C)CC3)C2)n(C)n1,KOBCCOJOELAWIV-UHFFFAOYSA-N
-rxn:2:85594:114374,CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC2CC(C[Si](C)(C)C)C23CCCC3)n1,HFWQKISUVRHZIB-NUVZVAJJSA-N
-rxn:2:86393:136425,Cc1ccc(N2CCC(N(C)C)CC2)cc1NC(C)c1sc(N2CCN(C)CC2)nc1C,QKMDTUMBOHKWNH-UHFFFAOYSA-N
-rxn:2:86590:119754,CCC1C(F)(F)C12CCC(Nc1cnc(N3CCCC3)nc1N(C)C)CC2,BSLNZLOJQCMMDV-UHFFFAOYSA-N
-rxn:2:86590:83653,CC1C(F)(F)C12CCC(Nc1cnc(N3CCCC3)nc1N(C)C)CC2,WXIKQPFPXYYZFG-UHFFFAOYSA-N
-rxn:2:86839:136205,CC(CCN(C)C1CCN(C)CC1)NCC(F)(F)CN1CCSC(C)CC1,UKCYUVBFTFLVMH-UHFFFAOYSA-N
-rxn:2:86839:138126,CC(CCN(C)C1CCN(C)CC1)NCC(F)(F)CN1CCCSCC1,QEBXJIKYMYHRLS-UHFFFAOYSA-N
-rxn:2:88287:123308,C=C=Cc1ccc(C(NC[C@@]23CCCN2C[C@@H](OC)C3)C(C)C2CC2)cc1,QYHZSGUSOOLCNQ-SMLBMKQBSA-N
-rxn:2:88353:120702,CC(C)C1C(F)(F)C12CCC(Nc1cnccc1N1CCC(N(C)C)C1)CC2,AAEKLFNLBBXCED-UHFFFAOYSA-N
-rxn:2:88564:151171,Cc1cc(C)cc(-n2c(NC3C4(C)CCC5C4(C)COC53S(=O)(=O)[O-])cc(=O)[nH]c2=O)c1,FTMGETONNQMYBK-UHFFFAOYSA-M
-rxn:2:88564:153881,COc1ccc(-n2c(NC3C4(C)CCC5C4(C)COC53S(=O)(=O)[O-])cc(=O)[nH]c2=O)cc1,XQZIBKWGGXVERU-UHFFFAOYSA-M
-rxn:2:88564:165091,CC(c1cccnc1)n1c(NC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])cc(=O)[nH]c1=O,KLTZYFVDQYPJSU-UHFFFAOYSA-M
-rxn:2:88564:167917,CCOc1ccc(-c2cc(NC3C4(C)CCC5C4(C)COC53S(=O)(=O)[O-])n[nH]c2=O)cc1,DQXFQODSDIXBBC-UHFFFAOYSA-M
-rxn:2:88564:167997,COc1cc(OC)cc(-c2cc(NC3C4(C)CCC5C4(C)COC53S(=O)(=O)[O-])n[nH]c2=O)c1,XRSFHKKDFPFAFG-UHFFFAOYSA-M
-rxn:2:91160:108040,CC(C)CSc1nn(C)cc1NC1CCC(N(C)CCN(C)C)CC1,SQCSMQSDFOEBFY-UHFFFAOYSA-N
-rxn:2:91160:93560,CN(C)CCN(C)C1CCC(Nc2cc(C3CCCC3)nn2CC2CC2(F)F)CC1,KZVPJYWMYWXNEJ-UHFFFAOYSA-N
-rxn:2:92170:120702,CC(C)C1C(F)(F)C12CCC(Nc1cc(CN(C)CC3CCN(C)CC3)on1)CC2,UPZIHSOVUJSXLX-UHFFFAOYSA-N
-rxn:2:92636:159074,CCS(=O)(=O)C1(CNC(C)c2sccc2-c2csc(N3CCOCC3)n2)CC2(CC2)C1,NGONKRYCCSDIDZ-UHFFFAOYSA-N
-rxn:2:93560:98744,CCCC1(CN(C)C)CCC(Nc2cc(C3CCCC3)nn2CC2CC2(F)F)CC1,VGAKQQDNDLQJJC-UHFFFAOYSA-N
-rxn:2:93933:110698,CC(CCCN(C)C(C)C)NCC1(F)CCN(C2CC2)CC1,GFSVUDIUCVSIBX-UHFFFAOYSA-N
-rxn:2:93933:120261,CC(CCN(C)C(C)C)NCC1(F)CCN(C2CC2)CC1,VDCQELLBJLEWJB-UHFFFAOYSA-N
-rxn:2:93933:124544,CCCN(C)CCC(C)NCC1(F)CCN(C2CC2)CC1,XPPTUCMWUZQRSL-UHFFFAOYSA-N
-rxn:2:93964:130987,CC(CCN(C)C1CCSC1)NCC(F)(F)CN1CCCN(C)CC1,PTXVHUFITURLDX-UHFFFAOYSA-N
-rxn:2:94006:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cnc(OCC3CCCN(C4CC4)C3)nc2)cn1,OAXUKLGQJOHCHY-UHFFFAOYSA-N
-rxn:2:94196:123308,C=C=Cc1ccc(C(NC[C@]23CCCN2C[C@H](OC)C3)C(C)C2CC2)cc1,QYHZSGUSOOLCNQ-KCROBBERSA-N
-rxn:2:94495:160431,COC1C[C@@H]2CC(NC3CCCCCC3OS(=O)(=O)c3ccc(C)cc3)[C@@H]2C1,JAMFIMOQSWPQMJ-GTRHSGNASA-N
-rxn:2:94495:164704,COC1C[C@@H]2CC(NC3CCCCC3OS(=O)(=O)c3ccc(C)cc3)[C@@H]2C1,SAVPRRCQLANLEC-HHQVVKMESA-N
-rxn:2:95048:110698,CC(CCCN(C)C(C)C)NCCCN1CCC(F)(F)CC1,PEEKEFPAQZYDSH-UHFFFAOYSA-N
-rxn:2:95048:120261,CC(CCN(C)C(C)C)NCCCN1CCC(F)(F)CC1,IALQFMDGACTFKB-UHFFFAOYSA-N
-rxn:2:95048:124086,CCCCN(C)C1CCCC1NCCCN1CCC(F)(F)CC1,FWYXJECOHHUDQH-UHFFFAOYSA-N
-rxn:2:96089:136190,CC(CC1CCCCC1)NCCN1CC[Si](C)(C)CC1,BTRVCAYNYZLHHB-UHFFFAOYSA-N
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-rxn:2:97231:122953,Cc1cccc(C(COCC2CCCO2)NCCC2CCC[Si](C)(C)CC2)c1,GAFRLCKADRJTTE-UHFFFAOYSA-N
-rxn:2:97326:127577,COCC1(NC2CC3(C2)CC(c2ccccc2)C3)CC(C[Si](C)(C)C)C1,GCXBNFWYGUDOFX-UHFFFAOYSA-N
-rxn:2:98788:108579,CCC(CN(C)C1CCN(C)CC1)NCC(F)(F)CN1CCSCC(C)C1,VGMUBRKDDDSMIU-UHFFFAOYSA-N
-rxn:2:99753:119754,CCC1C(F)(F)C12CCC(Nc1cn(CCN(C)C)nc1C1CCCCC1)CC2,HRUIOVINMVDJBJ-UHFFFAOYSA-N
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-rxn:1:62052:3282,CP(C)(=O)c1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,UQFPCOMTYLECMR-UHFFFAOYSA-N
-rxn:1:62062:33568,Cc1cc(F)ccc1CC(=O)Nc1cncc(-c2cn([C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O)nn2)c1,CPVDIJFAPXLUJI-CQOQZXRMSA-N
-rxn:1:62271:23186,N#C[C@@H]1C[C@@H]1c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,HPZXYPZOPOJWMT-RBBRAESBSA-N
-rxn:1:62271:23330,C[C@H](O)Cc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,XGJXJVXHJWOZTM-DUSGFRESSA-N
-rxn:1:62271:28754,C[C@H](N)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,ZBGGBHIWNISCHL-NVIISYKOSA-N
-rxn:1:62271:3819,C[C@@H](N)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,ZBGGBHIWNISCHL-CKVNRSBBSA-N
-rxn:1:62271:6363,N#Cc1cnc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c(Cl)c1,ADNKHNNGTLGXBF-UHFFFAOYSA-N
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-rxn:1:62271:7626,N#Cc1ccc(F)c(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,OQYVUUGHZJBSJR-UHFFFAOYSA-N
-rxn:1:62297:28077,CNCC(O)C(O)c1cccc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1,ONMMXWJCZVZJPP-UHFFFAOYSA-N
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-rxn:1:62297:38116,Cn1ccnc1SC(=N)C(F)(F)c1cccc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1,OVBDWVISXPYRNW-UHFFFAOYSA-N
-rxn:1:62477:32435,CN(C)C=Nc1sc2c(c1C#N)[C@@](C)(c1cn(C3CCNCCC3(F)F)nn1)CCC2,YCWZJJQQJXUHCK-UUSAFJCLSA-N
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-rxn:1:63067:17492,CC(C)Cc1cc(Cl)nn1Cc1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,RZYWLTVUZKVCHW-UHFFFAOYSA-N
-rxn:1:63067:18143,CN1CCc2nn(CC(F)(F)F)c(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c2C1,UYDBGIOFUWGLFA-UHFFFAOYSA-N
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-rxn:1:63067:1929,CCOC(=O)Nc1nc2ncc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)nc2s1,MBANCKIAPHUBJY-UHFFFAOYSA-N
-rxn:1:63067:30354,CC(C)Cn1ccc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)n1,QHQUCHPVRGIITB-UHFFFAOYSA-N
-rxn:1:63067:30478,CC(C)n1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cn1,GCMBUOZYOTYEIK-UHFFFAOYSA-N
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-rxn:1:63067:32987,Cc1oncc1C(=O)Nc1cncc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c1,SSODJJQFBFYTAI-UHFFFAOYSA-N
-rxn:1:63067:33435,Cc1nscc1C(=O)Nc1cncc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c1,LMGASFSGVUXKTD-UHFFFAOYSA-N
-rxn:1:63067:35264,CC(NC(=O)Cn1cccn1)c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,IOAMZJFVEHIEAN-UHFFFAOYSA-N
-rxn:1:63067:462,CC(C)Cn1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cn1,CJYIQBXCLRIWHN-UHFFFAOYSA-N
-rxn:1:63067:6258,C=CCNc1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)ncn1,LPFCCMHTHGQCDD-UHFFFAOYSA-N
-rxn:1:63377:35756,CC1(CC(=O)Nc2ncc(Br)cc2-c2cn(CC3CC(=O)N(c4cc(S(C)(=O)=O)ccc4O)C3)nn2)OCCO1,SZNNXXKAIFDWGG-UHFFFAOYSA-N
-rxn:1:64465:33369,COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(-c3cn(CC4CC(=O)N(c5c(Cl)ccc6ncccc56)C4)nn3)c2)C1,KBFORYJWFGNUNP-VGAJERRHSA-N
-rxn:1:64651:14889,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(OS(=O)(=O)[O-])c1cn(S(=O)(=O)c2ccc(Cl)cc2)nn1,PZRUDKGYWSFMAO-VPNBNBKUSA-M
-rxn:1:65214:35756,CC1(CC(=O)Nc2ncc(Br)cc2-c2cn(CC3CC(=O)N(c4ccc5c(c4)S(=O)(=O)C=C5)C3)nn2)OCCO1,MKSOCPIVDDISSO-UHFFFAOYSA-N
-rxn:1:65364:33733,CN1CCC[C@@H]1C(=O)Nc1ncc(Br)cc1-c1cn(CC2CC(=O)N(c3cccnc3C(=O)O)C2)nn1,IUELZXDZSLNGIL-JANGERMGSA-N
-rxn:1:65753:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3cncc(Cl)c3)nn1)c1cc(OC)c(OC)cc1N2,JSSVIDPVLVFKCW-UHFFFAOYSA-N
-rxn:1:65754:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3ccc(Cl)nc3)nn1)c1cc(OC)c(OC)cc1N2,CXQLWQKQYJESHJ-UHFFFAOYSA-N
-rxn:1:65755:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3cncc(F)c3)nn1)c1cc(OC)c(OC)cc1N2,MJQONOOVNKCTHX-UHFFFAOYSA-N
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-rxn:1:7902:49479,O=C(c1cn(C2CCN(S(=O)(=O)N3CCCC3)CC2)nn1)N1CCCC1c1nc2ccccc2[nH]1,HNVWAHHTXJARAM-UHFFFAOYSA-N
-rxn:1:9549:49308,O=C(Nc1cccc(-c2cn([C@@H]3CCCC[C@H]3N3CCCCCC3)nn2)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1,MBIMVEYKSUJSCB-VSGBNLITSA-N
-rxn:2:102008:107304,CC(C)c1[nH]nc2c1C(NCC1(N(C)C)CCC(F)(F)CC1)CC21CC1,AVZRCNCPXQOBQH-UHFFFAOYSA-N
-rxn:2:102709:142566,Cc1ccc(C(NC2CCN(C)CC2N2CCCCC2)c2cccc(S(C)(=O)=O)c2)c(C)c1,IRIZCHNEEXHHFG-UHFFFAOYSA-N
-rxn:2:102709:143151,CC(NC1CCN(C)CC1N1CCCCC1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,FZWXPDUMWDYLDR-UHFFFAOYSA-N
-rxn:2:102709:147270,CC(NC1CCN(C)CC1N1CCCCC1)c1sccc1-c1ccc(S(C)(=O)=O)nc1,DRNQETCAAOFEGF-UHFFFAOYSA-N
-rxn:2:102709:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NC2CCN(C)CC2N2CCCCC2)cs1,XDDOPYGNLZRMFD-UHFFFAOYSA-N
-rxn:2:102709:167088,CCC(NC1CCN(C)CC1N1CCCCC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,HUHHFQYBQZYKAF-UHFFFAOYSA-N
-rxn:2:103042:143973,CN1CC(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC(c2cc3c(s2)OCO3)C1,MCMOSSJGQVBWOA-UHFFFAOYSA-N
-rxn:2:103497:147883,COCCc1cc(N2CCCC(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2)ncn1,XUCCLKMSLTVXRD-UHFFFAOYSA-N
-rxn:2:103603:124834,CCC1COCCN1CCCC(C)NCC1(F)CCN(C)C1,CHNHOEDUBIGJBH-UHFFFAOYSA-N
-rxn:2:105350:143973,O=S1(=O)CCN(c2nccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)CC1,BQOPWHPJNYQSOY-UHFFFAOYSA-N
-rxn:2:105834:165750,COc1ccc(C(NCC2CN(C3CCS(=O)(=O)C3)C(C)(C)C2)c2ccc(CN3CCC3)cc2)cc1,NJNPWHWZFJHHBH-UHFFFAOYSA-N
-rxn:2:105834:75372,CN1CCN(Cc2ccc(C(NCC3CN(C4CCS(=O)(=O)C4)C(C)(C)C3)C3CCC3)cc2)CC1,PJJXPLRBQQJSFC-UHFFFAOYSA-N
-rxn:2:105834:85739,CC(NCC1CN(C2CCS(=O)(=O)C2)C(C)(C)C1)c1ccc(CN2CCCC2)cc1,IWVIMHFNRVGPMB-UHFFFAOYSA-N
-rxn:2:107304:111038,CC(C)C(NCC1(N(C)C)CCC(F)(F)CC1)c1cn(C2CCCC2)cn1,KSNYKONKOFGJGA-UHFFFAOYSA-N
-rxn:2:107304:137519,CC(NCC1(N(C)C)CCC(F)(F)CC1)c1ccn(CC2CCC2)n1,PXJXKMPPGLAKMH-UHFFFAOYSA-N
-rxn:2:107304:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)C)CCC(F)(F)CC1,WNBYXPGNITUGMF-UHFFFAOYSA-N
-rxn:2:107835:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NC2CCCCC2N2CCN(C)CC2)cs1,SGIMEQIBTSKGDZ-UHFFFAOYSA-N
-rxn:2:107835:157448,CC(NC1CCCCC1N1CCN(C)CC1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,KZLIQNMHGDDONQ-UHFFFAOYSA-N
-rxn:2:107908:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(C)(C)S(=O)(=O)c1cnn(C(C)C)c1,SDKXVQHODXNCSW-UHFFFAOYSA-N
-rxn:2:107980:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1c(C2CCC2)cnn1C(C)C1CC1(F)F,IKRLPYUZMYLSFY-UHFFFAOYSA-N
-rxn:2:109467:109246,CCC(NCC1(N(C)C2CC2)CN2CCC1CC2)C1(F)CC1,HPWGXERSRNYPQN-UHFFFAOYSA-N
-rxn:2:110862:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NCc1cccn(C2CCC(F)(F)C2)c1=O,WJBUCNXHRGBIQE-UHFFFAOYSA-N
-rxn:2:110862:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1cccn(C2CCC(F)(F)C2)c1=O,BTJNTWOTRJMKSD-UHFFFAOYSA-N
-rxn:2:111178:141711,CCC(Nc1cc(N2CCCC2)ccc1OC)c1cnc(N2CCN(CC)CC2)c(C)c1,RKXQBHZKTDFDAQ-UHFFFAOYSA-N
-rxn:2:111610:146153,COc1ccc(-c2ccc(C(CN3CCCC3)NC3(COS(=O)(=O)[O-])CCCC3)cc2)cc1,MSKSNDPSTIRNKM-UHFFFAOYSA-M
-rxn:2:112174:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1ccc(N2CCC(C(C)(F)F)CC2)nc1,WZQBBCKNJAUWOZ-UHFFFAOYSA-N
-rxn:2:112174:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(N2CCC(C(C)(F)F)CC2)nc1,KPAJBIRUNPHUIE-UHFFFAOYSA-N
-rxn:2:112270:99201,CCS(=O)(=O)C1CC1c1ccc(NC(c2ccc(CN3CCCCC3)cc2)C2CCCCC2)cc1,DALZOYBNPWXLHB-UHFFFAOYSA-N
-rxn:2:112503:144085,CCN1CCc2c(cc(C(C)NCC(F)(F)c3cnc(OC)nc3OC)c(=O)n2C2CC2)C1,MRMBQSPJRQUNLX-UHFFFAOYSA-N
-rxn:2:112685:77766,Cc1ccc(C)c(C(CN2CC3CCC2C3)NC(c2ccc(S(C)(=O)=O)cc2)C2CC2)c1,NUVJDRAYKJNWOD-UHFFFAOYSA-N
-rxn:2:112905:166041,Cc1ccc(S(=O)(=O)OCC2CCC(NCC(C)c3nccc(C4CCCN(C)C4)n3)CC2)cc1,ZVUDXIINZVSGFZ-UHFFFAOYSA-N
-rxn:2:113378:164879,Cc1nc2ccc(-c3cccc4c3C(NOCC3CCN(C5CCS(=O)(=O)C5)CC3)CO4)cc2o1,CZFZTKPRPOUNFK-UHFFFAOYSA-N
-rxn:2:113378:166857,Cc1ccc(C(CSc2n[nH]c(=O)[nH]c2=O)NOCC2CCN(C3CCS(=O)(=O)C3)CC2)cc1,NKADDZNKKZLOKJ-UHFFFAOYSA-N
-rxn:2:113378:171842,Cc1nc2cc(-c3ccc(C(NOCC4CCN(C5CCS(=O)(=O)C5)CC4)C4CC4)cc3)ccc2o1,IXXVUYRJAIYWOU-UHFFFAOYSA-N
-rxn:2:113599:124533,COCC1C(F)(F)C12CCC(Nc1c(C)cnn1CCN(C)C)CC2,LFTRMDLTRAEVSD-UHFFFAOYSA-N
-rxn:2:114042:149239,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]c(N4CCCCC4)n3)C2(F)F)c(C)c1,PHGZQKNGXZTQFU-UHFFFAOYSA-N
-rxn:2:114185:147883,CCn1ccc(S(=O)(=O)C(C)(C)CNC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)n1,OZGVHHRJDUOABH-UHFFFAOYSA-N
-rxn:2:114696:147883,CCS(=O)(=O)c1cc(OC(C)C)cc(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)n1,HUUXRVZEPFSPBD-UHFFFAOYSA-N
-rxn:2:114757:126600,Cc1ccc(C(C)NCc2occc2CN2CCN(C3CC3)CC2)c(OS(=O)(=O)F)c1,TZJWAZUOCIIVNJ-UHFFFAOYSA-N
-rxn:2:115180:143097,CC(Nc1ccccc1OCCN1CCN(C)CC1)c1cccc(-c2ccnc(N3CCN(C)CC3)c2)n1,USNWFDVGMBZRBQ-UHFFFAOYSA-N
-rxn:2:116421:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCC1CC(F)(F)CN1C,YAZAPDLDBORNDA-UHFFFAOYSA-N
-rxn:2:116443:133840,Cc1c(C2(C)CC2)nn(CC2CC2(F)F)c1NC(C)CCCCn1[nH]c(=O)ccc1=O,ZERYWVBFUUMGQL-UHFFFAOYSA-N
-rxn:2:117490:125797,CN1CCC(C)(C)N(C2CC2)CC1CCNC(c1ccccc1)C1CCS(=O)(=O)C1,QOGCONMMLKANEB-UHFFFAOYSA-N
-rxn:2:117602:144085,CCN1CCc2c(cc(C(C)NCCCCN3CCC(F)(F)CC3)c(=O)n2C2CC2)C1,YCSJVTBQZRWOLS-UHFFFAOYSA-N
-rxn:2:117987:138408,Cc1c(NC(CN2CCN(C3CC3)CC2)c2ccccc2)cccc1S(=O)(=O)C1CCCC1,QGHPYIVDVQXYKC-UHFFFAOYSA-N
-rxn:2:118023:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCc1nn(CC2CC2(F)F)c2c1C(C)CC2,SBZPFCCILUWWSK-UHFFFAOYSA-N
-rxn:2:118023:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1nn(CC2CC2(F)F)c2c1C(C)CC2,YWGNPZXWVWYKQX-UHFFFAOYSA-N
-rxn:2:118081:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1C(c2ccccc2N(C)C)C1(F)F,UWQDLQJGCDHALE-UHFFFAOYSA-N
-rxn:2:119635:153696,CCCC(NCC(F)(F)CN1CC(C)C(C)C1C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,IXBQGBBDGGVXTC-UHFFFAOYSA-N
-rxn:2:120358:124477,COc1ccc(CC2(NC3CC(CS(=O)(=O)c4ccc(C)cc4)C3)CCCCC2)cc1OC,VQPQHETVNVNMNH-UHFFFAOYSA-N
-rxn:2:120858:126600,Cc1ccc(C(C)NCc2cnc(C3C4CC5CC(C4)CC3C5)nc2)c(OS(=O)(=O)F)c1,JVBAKNGXFKZPHS-UHFFFAOYSA-N
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-rxn:2:121242:146079,Cc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1C(C)NC(C1CC1)C12CC3CC(CC(C3)C1)C2,ZVJDDBLRQFLKBE-UHFFFAOYSA-N
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-rxn:2:121533:126600,Cc1ccc(C(C)NC2C3CN(C)CC2CN(Cc2ccccn2)C3)c(OS(=O)(=O)F)c1,MPBUYBGRQIIJPR-UHFFFAOYSA-N
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-rxn:2:136330:143784,CCC(Nc1ccc(N2CC(OC)C(OC)C2)nc1)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,JNHZJURFODDPQA-UHFFFAOYSA-N
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-rxn:2:136805:125863,CCN1CCN(c2ncc(C(C)NCC3C(c4cnc(OC)nc4OC)C3(F)F)c(C)n2)CC1,RMMASOOLPIEPBO-UHFFFAOYSA-N
-rxn:2:137540:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2c(C)c(C3CCC3)nn2C2CCCCC2)cn1,BEZODJARXWBNIV-UHFFFAOYSA-N
-rxn:2:137711:153696,CCCC(NCC(F)(F)CN1CC(C)OC(C)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,ATFMJXPYNPQPPD-UHFFFAOYSA-N
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-rxn:2:138363:157448,CC(NCC1CCN(C2CCCN(C)CC2)CC1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,GLRABTHNUGSPLI-UHFFFAOYSA-N
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-rxn:2:138988:147883,COc1cc(CN2CCC(F)(F)C2)ccc1NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,XDLZJPGMQXCBDO-UHFFFAOYSA-N
-rxn:2:139208:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NCC2CCCN(C3CCN(C)CC3)C2)cs1,ZAXLIVZKAVNBDT-UHFFFAOYSA-N
-rxn:2:139208:157448,CC(NCC1CCCN(C2CCN(C)CC2)C1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,BRUJTDCXVBCULX-UHFFFAOYSA-N
-rxn:2:139804:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCc1cc(C)n(C2CCCS(=O)(=O)C2)n1,NDZDQFBYWYAIHU-UHFFFAOYSA-N
-rxn:2:140318:170141,Cc1ccc(C(C)NC2CCCCC2OS(C)(=O)=O)cc1-c1ccc2c(c1)OCCCO2,SWHIYKGRHIZUQR-UHFFFAOYSA-N
-rxn:2:140370:141711,CCC(Nc1cc(N2CCCCC2)ccc1OC)c1cnc(N2CCN(CC)CC2)c(C)c1,JDQDBWNVLDBGAO-UHFFFAOYSA-N
-rxn:2:140460:147883,COc1ncc(C2C(CCNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)cn1,AZYHQOIXRAOBGU-UHFFFAOYSA-N
-rxn:2:141402:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)COS(C)(=O)=O,NLCWHOOBSVLXQQ-UHFFFAOYSA-N
-rxn:2:141492:155159,Cc1nc(NC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)cc(N2CCC(C)CC2)n1,MOYNQKUAZIXMBM-UHFFFAOYSA-N
-rxn:2:141962:114309,CN1CCN(CC(NCC(F)(F)c2cccc(N3CCOCC3)c2)c2cccn2C)CC1,PUVSJQXDQKLSMR-UHFFFAOYSA-N
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-rxn:2:153663:162583,Cc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)n1NC(c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1)C1CC1,HEJMQHVLPZBILB-UHFFFAOYSA-N
-rxn:2:153663:165217,Cc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)n1NC1COc2cccc(-c3cnn(S(C)(=O)=O)c3)c21,QVNJGHVKWAVRKL-UHFFFAOYSA-N
-rxn:2:154155:153663,Cc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)n1NC1COc2ccc(-c3cnn(S(C)(=O)=O)c3)cc21,LWJXJJKMSNUJJB-UHFFFAOYSA-N
-rxn:2:156892:144085,CCN1CCc2c(cc(C(C)Nc3ccc4nccc(N5CCN(C)CC5)c4c3)c(=O)n2C2CC2)C1,FEBQBTBRFZRLEE-UHFFFAOYSA-N
-rxn:2:159289:144085,CCN1CCc2c(cc(C(C)Nc3ccc4c(N5CCN(C)CC5)nccc4c3)c(=O)n2C2CC2)C1,FESZKKXPGGYLPM-UHFFFAOYSA-N
-rxn:2:161135:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(Nc1cc(C3C4CC5CC(C4)CC3C5)n[nH]c1=O)CC2,VBGBSKWRYDHRHW-UHFFFAOYSA-N
-rxn:2:65837:91308,CCC(NCCCN(C)C1CC1)C1CCC(F)(F)CC1,SATIFDZJYLIYQN-UHFFFAOYSA-N
-rxn:2:66004:75755,COc1cc(NC2CCCCCCCCCCC2Sc2ccccc2)ccc1CS(C)(=O)=O,YMHBMAZIVBHYIZ-UHFFFAOYSA-N
-rxn:2:66228:167088,CCC(NC1CCCC1N1CCCN(C)CC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,OAIIQSTVBAJMEM-UHFFFAOYSA-N
-rxn:2:66407:167778,CCC(NC(C)c1cc2c(cc1-c1cccnc1OC)OCCO2)c1ccc(N2CCN(C)CC2)nc1C,CELXJTIRDMNDGE-UHFFFAOYSA-N
-rxn:2:66615:141059,CC(C)CN1CCCCC1CNCC1CC[Si](C)(C)CC1,HKNLKLMEHZQXJO-UHFFFAOYSA-N
-rxn:2:66816:148941,CC(NC1CCN(C2CCN(C)CC2)CC1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,HGQUHXLKBCILAJ-UHFFFAOYSA-N
-rxn:2:66816:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NC2CCN(C3CCN(C)CC3)CC2)cs1,OKIHCURWYHYAMV-UHFFFAOYSA-N
-rxn:2:66816:156195,CC(NC1CCN(C2CCN(C)CC2)CC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,DEALNOSDDUEVAY-UHFFFAOYSA-N
-rxn:2:66816:157448,CC(NC1CCN(C2CCN(C)CC2)CC1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,NXPBUCHPXZEFRN-UHFFFAOYSA-N
-rxn:2:66899:143973,CC(NC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1cnc(N2CCOCC2C)s1,GMGZCYUOODTDSB-UHFFFAOYSA-N
-rxn:2:67586:151416,CN1CCN(Cc2ccccc2NC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1,IQYXQLCEANRVKR-UHFFFAOYSA-N
-rxn:2:68439:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NCC2CCN(C3CCN(C)CC3)C2)cs1,IENSGSGMEDAPTB-UHFFFAOYSA-N
-rxn:2:68439:156195,CC(NCC1CCN(C2CCN(C)CC2)C1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,TXGSOGFBNTWOBZ-UHFFFAOYSA-N
-rxn:2:68439:157448,CC(NCC1CCN(C2CCN(C)CC2)C1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,WXQWUOFHOSNVMW-UHFFFAOYSA-N
-rxn:2:68647:148941,CC(NC1CCCN(C2CCN(C)CC2)C1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,HRDIHYQAOUDDKR-UHFFFAOYSA-N
-rxn:2:68647:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NC2CCCN(C3CCN(C)CC3)C2)cs1,XCFVSAMJMIKVSW-UHFFFAOYSA-N
-rxn:2:68647:156195,CC(NC1CCCN(C2CCN(C)CC2)C1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,VFHLDYHQCIBNMV-UHFFFAOYSA-N
-rxn:2:68647:157448,CC(NC1CCCN(C2CCN(C)CC2)C1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,MWZWSCZSNBYUEI-UHFFFAOYSA-N
-rxn:2:69023:157448,CC(NC1CCCCCC1N1CCCN(C)CC1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,PFJKPRCCVFNBRZ-UHFFFAOYSA-N
-rxn:2:69415:155589,Cc1cccc2c1C(Nc1ccc(OS(=O)(=O)F)c(C(C)C)c1)C1C(CCN3CCCC13)O2,LFQGBIAFXMFGED-UHFFFAOYSA-N
-rxn:2:70274:136378,CN1CC(F)CC1c1ccccc1NC1CCN(CCOS(C)(=O)=O)CC1,REULWLFRSBMUOE-UHFFFAOYSA-N
-rxn:2:70482:149364,CC(NC1CCN(C2CCN3CCCC23)C(C)C1)c1ccc(S(=O)(=O)c2ccccc2)s1,UQJUUTZNSIGJGW-UHFFFAOYSA-N
-rxn:2:70683:115373,COCc1cc(OS(=O)(=O)F)ccc1NC(c1ccccc1CN1CCN(C)CC1)C1CCC1,MOPSKGSGPMFTEZ-UHFFFAOYSA-N
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-rxn:2:70880:73080,COc1ccc(NC(c2ccc(CN3CCOCC3)cc2)C2CCC2)cc1OS(=O)(=O)F,HCLBEQSEVRTXRJ-UHFFFAOYSA-N
-rxn:2:71004:79331,CC(C)C1CC(NCC2(CCN(C)C)CC(F)(F)C2)CCS1,NTBXPYSCENMFBQ-UHFFFAOYSA-N
-rxn:2:71037:144085,CCN1CCc2c(cc(C(C)Nc3cccnc3N3CCN(C)CC3)c(=O)n2C2CC2)C1,IAFYJPKYDVBXLR-UHFFFAOYSA-N
-rxn:2:71125:100224,CCn1ncc(C#CCO[Si](C)(C)C)c1C(C)NCC1(n2ccnn2)CCS(=O)(=O)CC1,WGYBHCDTGPBOQW-UHFFFAOYSA-N
-rxn:2:71216:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NC2CCN(C3CCN(C)C3)CC2)cs1,PDRAAATVYGWQAY-UHFFFAOYSA-N
-rxn:2:71915:107304,CC(CCc1nc(C2CCC2)c[nH]1)NCC1(N(C)C)CCC(F)(F)CC1,DXHZUCNTJMTJFH-UHFFFAOYSA-N
-rxn:2:71954:73080,COc1ccc(NC(c2cccc(CN3CCN(C)CC3)c2)C2CCC2)cc1OS(=O)(=O)F,KAHBCBWICHODOL-UHFFFAOYSA-N
-rxn:2:72660:133940,COc1ccc(OC)c(C(CN2CCCCC2)Nc2ncc(S(=O)(=O)C3CC3)cc2OC)c1,CTMNVDHKERXRGM-UHFFFAOYSA-N
-rxn:2:73028:76229,CC(C)CN1CCCC1CNCC1CCC[Si](C)(C)CC1,ZESWOVOLJBJCBL-UHFFFAOYSA-N
-rxn:2:73064:144085,CCN1CCc2c(cc(C(C)NCc3nccnc3N3CCN(C)CC3)c(=O)n2C2CC2)C1,MKMHEDLEHMLYSH-UHFFFAOYSA-N
-rxn:2:73080:106086,COc1ccc(NC(c2cccc(CN3CCOCC3)c2)C2CCCC2)cc1OS(=O)(=O)F,NVHBVUNJQUSBIO-UHFFFAOYSA-N
-rxn:2:73080:108131,COc1ccc(NCC(C2CCCCC2)S(C)(=O)=O)cc1OS(=O)(=O)F,SNDBWLMVOWGLLU-UHFFFAOYSA-N
-rxn:2:73080:113283,COc1ccc(NC(c2ccc(CN3CCC3)cc2)C2CCCCC2)cc1OS(=O)(=O)F,NCIUJKJCCZQZMJ-UHFFFAOYSA-N
-rxn:2:73080:115373,COc1ccc(NC(c2ccccc2CN2CCN(C)CC2)C2CCC2)cc1OS(=O)(=O)F,HMNXZKFBBRNNEX-UHFFFAOYSA-N
-rxn:2:73080:116487,COc1ccc(NC(c2ccccc2CN2CCOCC2)C2CCCCC2)cc1OS(=O)(=O)F,YCMKCRHBVYEDHJ-UHFFFAOYSA-N
-rxn:2:73080:119802,COc1ccc(NC(c2cccc(CN3CCC3)c2)C2CCCCC2)cc1OS(=O)(=O)F,JKXHCEISVWQCSF-UHFFFAOYSA-N
-rxn:2:73080:135709,COc1ccc(NC(c2cccc(CN3CCCC3)c2)C2CCCC2)cc1OS(=O)(=O)F,DHZMDPSPNXKIBH-UHFFFAOYSA-N
-rxn:2:73080:141659,COc1ccc(NC(c2ccc(CN3CCCC3)cc2)C2CCCC2)cc1OS(=O)(=O)F,KQIKDZFOMHIXNO-UHFFFAOYSA-N
-rxn:2:73080:70490,COc1ccc(NC(c2cccc(CN3CCCCC3)c2)C2CCC2)cc1OS(=O)(=O)F,DVXIVXMTBOCZKQ-UHFFFAOYSA-N
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-rxn:2:73080:96859,COc1ccc(NC(c2ccc(CN3CCOCC3)cc2)C2CCCC2)cc1OS(=O)(=O)F,YVTKXXGKMKOIDU-UHFFFAOYSA-N
-rxn:2:73149:128935,CC1CCC(NC[Si](C)(C)C)C(CN2CCCCCC2)C1,USMDKFYNHDUCHS-UHFFFAOYSA-N
-rxn:2:73149:89565,CN(CCC1CCCC1)CC1CCC(NC[Si](C)(C)C)CC1,YYSROWNEGUJQQJ-UHFFFAOYSA-N
-rxn:2:73149:92740,CN(CCC1CCCCC1)C1CCC(NC[Si](C)(C)C)CC1,OOKPFCLNKAFBDP-UHFFFAOYSA-N
-rxn:2:73328:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(c1ccccc1CN1CCN(C)CC1)C1CCCC1,WLIATKUMNPAIEN-UHFFFAOYSA-N
-rxn:2:73334:152761,CC(=O)c1cccc(C2C(CCSC(C)Nc3cc(=O)[nH]n3C(C)C3(C)CC3)C2(F)F)n1,YECJAKGSYQSSIG-UHFFFAOYSA-N
-rxn:2:73593:147883,COc1cncc(C2C(CCNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)c1,ODSWECMCQAAMJN-UHFFFAOYSA-N
-rxn:2:73660:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(CN1CCN(C2CC2)CC1)c1ccco1,HPLPNHMXVZRAGK-UHFFFAOYSA-N
-rxn:2:73797:134391,CN1CCC(CNC2CCCc3c2cnn3COCC[Si](C)(C)C)C(F)(F)CC1,VSJJSSDAGPIKHB-UHFFFAOYSA-N
-rxn:2:74024:114649,CCc1c(NC2CCC(N(C)c3cc(N(C)C)nc(C)n3)CC2)nn2c1C(F)(F)CCC2,XHMZDYCSRABYHN-UHFFFAOYSA-N
-rxn:2:74024:121159,Cc1nc(N(C)C)cc(N(C)C2CCC(Nc3nn(CC4CC4(F)F)c4c3C(C)CC4)CC2)n1,OXSVYAGBXQRJMU-UHFFFAOYSA-N
-rxn:2:74024:131379,Cc1nc(N(C)C)cc(N(C)C2CCC(Nc3cc(=O)[nH]n3C(C)C3CC3(F)F)CC2)n1,JRQIZXHJYLJXOL-UHFFFAOYSA-N
-rxn:2:74038:147883,COCC(F)(F)c1cccc([C@@H](C)NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)c1C,XIYJYFNXIUZAEQ-TZHYSIJRSA-N
-rxn:2:74635:71954,CCCOS(=O)(=O)c1ccc(NC(c2cccc(CN3CCN(C)CC3)c2)C2CCC2)cc1,OFASGBKXXAXMIN-UHFFFAOYSA-N
-rxn:2:74766:75075,CCc1nn(CCN(C)C)c(NCC(OC)C2CCC(F)(F)CC2)c1C,LDRQMECIMSUKJL-UHFFFAOYSA-N
-rxn:2:75011:114309,CN1CCN(CC(NCC23CCCN2CC(F)(F)C3)c2cccn2C)CC1,WCWNHUGRTZYSNA-UHFFFAOYSA-N
-rxn:2:75039:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1ccc(N2CCCC(C(C)(F)F)C2)nc1,SNJLYSYJAULDRV-UHFFFAOYSA-N
-rxn:2:75075:103225,CCc1c(C)nn(CCN(C)C)c1NCC(OC)C1CCC(F)(F)CC1,ZEZKJMVXDKOBNS-UHFFFAOYSA-N
-rxn:2:75105:144085,CCN1CCc2c(cc(C(C)NCC(F)(F)CN3CCN(C)CC3)c(=O)n2C2CC2)C1,BQQJGGWAJWFJLB-UHFFFAOYSA-N
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-rxn:2:75700:144085,CCN1CCc2c(cc(C(C)NCC(F)(F)c3c(C)nn(C)c3C)c(=O)n2C2CC2)C1,MZGIKCWJVFWHKB-UHFFFAOYSA-N
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-rxn:2:79124:163337,CCOc1ccccc1-c1cc(C(C)NCC2(S(=O)(=O)C3CCCC3)COC2)c(=O)[nH]n1,YEPKGCAFUMCYBM-UHFFFAOYSA-N
-rxn:2:79257:126600,Cc1ccc(C(C)NC2CC3CCC(C2)N3Cc2noc(C3CC3)n2)c(OS(=O)(=O)F)c1,GSTMBMUDSZJQPS-UHFFFAOYSA-N
-rxn:2:79266:126600,Cc1ccc(C(C)NCC2CN(C)CC(C)CN2C2CC2)c(OS(=O)(=O)F)c1,NUPGMHJJDFNKNP-UHFFFAOYSA-N
-rxn:2:79331:134854,CCC(NCC1(CCN(C)C)CC(F)(F)C1)C1CCSC1,MZSPVDIUGDBOGW-UHFFFAOYSA-N
-rxn:2:79778:129375,CC1CC(C)CN(c2ccc(C(Nc3cc(=O)[nH]n3CCCN(C)C)C(C)C)cc2)C1,ZEQUJIYAEPYLCH-UHFFFAOYSA-N
-rxn:2:79778:171239,CC(C)CSC(=N)C(F)(F)c1ccc2c(c1)C(Nc1cc(=O)[nH]n1CCCN(C)C)CC2,PZJGKAYINPHNES-UHFFFAOYSA-N
-rxn:2:79778:73038,CCC(Nc1cc(=O)[nH]n1CCCN(C)C)c1cnc(N2CCN(CC)CC2)cc1C,KCDKNBJBMAEOAJ-UHFFFAOYSA-N
-rxn:2:79778:74174,CC(CCN1CCC(F)(F)CC1)Nc1cc(=O)[nH]n1CCCN(C)C,NMPXLJOJROVKMX-UHFFFAOYSA-N
-rxn:2:79778:79723,CCC(Nc1cc(=O)[nH]n1CCCN(C)C)c1ccc(N2CCN(CC)CC2)nc1C,YQOUOKGICHUOQA-UHFFFAOYSA-N
-rxn:2:79800:152052,Cc1c(-c2ccnc(N3CCOCC3)c2)cccc1C(C)NCCS(=O)(=O)N=S(C)(C)=O,YZMPXLUJAUXHAA-UHFFFAOYSA-N
-rxn:2:79800:167688,Cc1cc(-c2cnc(N3CCOCC3)nc2)ccc1C(C)NCCS(=O)(=O)N=S(C)(C)=O,OLLHQKRLQGSXDO-UHFFFAOYSA-N
-rxn:2:80431:107304,CC(C)c1nn(C(C)C)c2c1C(NCC1(N(C)C)CCC(F)(F)CC1)CCC2,USYFMVOHJXZGKB-UHFFFAOYSA-N
-rxn:2:81058:147883,CCn1nccc1S(=O)(=O)C(C)(C)CNC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,DUZYJYUFJBTENP-UHFFFAOYSA-N
-rxn:2:81945:147883,COc1cc(C)c(C2C(CNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)cc1C,CLFMEGGVAXZVLN-UHFFFAOYSA-N
-rxn:2:82877:147883,CCOc1ccc(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)c(N2CCC(F)(F)C2)c1,PXLKYNAWFIRTSQ-UHFFFAOYSA-N
-rxn:2:83064:143973,CN1CCC(N(C)c2ccc(NC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)cn2)CC1,OVVHOEGVSHUQMC-UHFFFAOYSA-N
-rxn:2:83261:147883,CCC(F)(F)C(C)(C)CNC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,ONULJXGBEAPWDY-UHFFFAOYSA-N
-rxn:2:83263:128132,CC1CC(Nc2cncc(OS(=O)(=O)F)c2)CCN1CCCCN(C)C,SNSCJTJYGJJAHS-UHFFFAOYSA-N
-rxn:2:83324:153696,CCCC(NCC(F)(F)CN1CC(C)OCC1C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,ORJBPYGALIUOJJ-UHFFFAOYSA-N
-rxn:2:83653:90375,CC1C(F)(F)C12CCC(NCN(C)CCC1CCCN(C)C1)CC2,SSVSDLWKQYGEMA-UHFFFAOYSA-N
-rxn:2:84153:143973,COc1cc(CN2CCN(C)CC2)ccc1NC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,YFRMDCSJONHOQK-UHFFFAOYSA-N
-rxn:2:84946:114454,CCS(=O)(=O)C(CNCc1ccc(OS(=O)(=O)F)cc1)C1CCCCC1,JPCLDAYHRNVABE-UHFFFAOYSA-N
-rxn:2:85054:144085,CCN1CCc2c(cc(C(C)Nc3c(C)ccnc3N3CCN(C)CC3)c(=O)n2C2CC2)C1,MFQGXWFPJBPBDY-UHFFFAOYSA-N
-rxn:2:85571:136378,CCc1cc(OS(=O)(=O)F)ccc1NC1CCN(CCOS(C)(=O)=O)CC1,CZCSATASICKNNI-UHFFFAOYSA-N
-rxn:2:85965:147883,COc1cc(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)ccc1N1CCC(F)(F)C1,CMWKIAYXOABFSU-UHFFFAOYSA-N
-rxn:2:86038:147883,COCCN1CCC(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)C(F)(F)C1,KNTNHWOFVLZRMC-UHFFFAOYSA-N
-rxn:2:86191:94440,CCC(Nc1cnc(N2CCN(C)CC2)cc1OC)c1ccc(N2CCN(C)CC2)nc1,MXRAVGIBMNOQOY-UHFFFAOYSA-N
-rxn:2:86248:107982,CC(C)CN(C)CC1(NC2CCCC3C2C3(F)F)CCCCC1,DAOLOWZSFZGRAK-UHFFFAOYSA-N
-rxn:2:86248:108765,CC(C)CN(C)CC1(NC2CCC3C2C3(F)F)CCCCC1,LEVXAFDJYPGTKL-UHFFFAOYSA-N
-rxn:2:86559:86839,CC(CCN(C)C1CCN(C)CC1)NC1C(F)(F)C12CC2,UCCPENRVMBUNFT-UHFFFAOYSA-N
-rxn:2:86559:91160,CN(C)CCN(C)C1CCC(NC2C(F)(F)C23CC3)CC1,PPEYGNRNGKIIAA-UHFFFAOYSA-N
-rxn:2:86686:91308,CCC(Nc1c(C)c(C2CCC2)nn1CCN(C)C)C1CCC(F)(F)CC1,YWMSLEZJVVRWSK-UHFFFAOYSA-N
-rxn:2:86839:100659,CC(CCN(C)C1CCN(C)CC1)NC1C(C)C1(F)F,KTCNTKUADCYPQL-UHFFFAOYSA-N
-rxn:2:86839:84943,CC(CCN(C)C1CCN(C)CC1)NCC1C(F)(F)C12CC2,FKYCUOSZRDJXBR-UHFFFAOYSA-N
-rxn:2:86839:85432,CC(CCN(C)C1CCN(C)CC1)NC1CCCC2C1C2(F)F,VJKWUYKGEAAWAH-UHFFFAOYSA-N
-rxn:2:86839:96268,CC(CCN(C)C1CCN(C)CC1)NCC(F)(F)CN1CCSC(C)C1,JQFABYGJHKHLTB-UHFFFAOYSA-N
-rxn:2:86840:149333,CCCN1CCN(c2ccc(NC(C)c3ccc(-c4ccc(N5CCCC5)nc4)cc3OC)cc2OC)CC1,TUKGKIYGPKNUTK-UHFFFAOYSA-N
-rxn:2:87325:153696,CCCC(NCC(F)(F)CN1CCC(C)C(C)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,LJWSXOGOPGBRSV-UHFFFAOYSA-N
-rxn:2:87402:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1cccnc1N1CCCC(C(C)(F)F)C1,JLUFYPYRDAVDBZ-UHFFFAOYSA-N
-rxn:2:88336:126600,Cc1ccc(C(C)Nc2ccc3c(n2)N(C2CCN(C)CC2)CCO3)c(OS(=O)(=O)F)c1,DCAUIDHDZZTZIC-UHFFFAOYSA-N
-rxn:2:88341:144270,CC(=O)c1cccc(C2C(CSC(C)NCc3cn(C4CCCCC4)c(=O)[nH]c3=O)C2(F)F)n1,MGPKGAYHXHFGAQ-UHFFFAOYSA-N
-rxn:2:88341:147728,CC(=O)c1ccc(C2C(CSC(C)NCc3cn(C4CCCCC4)c(=O)[nH]c3=O)C2(F)F)cn1,JLEJZHJGVGTHHZ-UHFFFAOYSA-N
-rxn:2:89000:155589,Cc1cccc2c1C(Nc1ccc3c(c1)CC(OS(C)(=O)=O)C3)C1C(CCN3CCCC13)O2,ZGOHWQYDVNTDRS-UHFFFAOYSA-N
-rxn:2:89079:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2ccnc(N3CCN(C4CCCC4)CC3)c2)cn1,LGJRAGKZTAJJQS-UHFFFAOYSA-N
-rxn:2:89147:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NCC2CCN(C3CCN(C)CC3)CC2)cs1,FIAJTXRZKKPERF-UHFFFAOYSA-N
-rxn:2:89147:157448,CC(NCC1CCN(C2CCN(C)CC2)CC1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,UOTMENXRJZNMKN-UHFFFAOYSA-N
-rxn:2:90051:144085,CCN1CCc2c(cc(C(C)Nc3cc(C4CCC(F)(F)C4)nn3C)c(=O)n2C2CC2)C1,QMXGKWCRIKDVNS-UHFFFAOYSA-N
-rxn:2:90375:119754,CCC1C(F)(F)C12CCC(NCN(C)CCC1CCCN(C)C1)CC2,LSHVVJSBLFCNKG-UHFFFAOYSA-N
-rxn:2:90756:133940,COc1ccc(OC)c(C(CN2CCCCC2)Nc2cc(OC)c(S(=O)(=O)C3CC3)cn2)c1,BERGEPWRQDFZLH-UHFFFAOYSA-N
-rxn:2:90756:138669,COc1ccc(C(C)Nc2cc(OC)c(S(=O)(=O)C3CC3)cn2)cc1OC1CCN(C)CC1,VMXLUQQDMOIHIZ-UHFFFAOYSA-N
-rxn:2:90756:83842,COc1cc(NC(C)c2ccc(OCC3CCCN(C)C3)cc2)ncc1S(=O)(=O)C1CC1,NHZGRTRFVHIMEY-UHFFFAOYSA-N
-rxn:2:90756:95397,COc1ccccc1C(CN1CCN(C)CC1)Nc1cc(OC)c(S(=O)(=O)C2CC2)cn1,GJZBZFBCGGSFRN-UHFFFAOYSA-N
-rxn:2:90902:143973,O=S1(=O)CCN(c2cc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)ccn2)CC1,ZVCSDNUGABHWOJ-UHFFFAOYSA-N
-rxn:2:91308:124615,CCC(NCC1CN(CCN(C)C)C1)C1CCC(F)(F)CC1,WCJLLDDGJYCODE-UHFFFAOYSA-N
-rxn:2:91308:130979,CCC(Nc1c(C)c(C2CC2)nn1CCN(C)C)C1CCC(F)(F)CC1,KYKAFNOSBTWCEF-UHFFFAOYSA-N
-rxn:2:91542:124533,COCC1C(F)(F)C12CCC(Nc1c(C(C)C)n[nH]c1C(C)C)CC2,MSVMPOXFBCIUSZ-UHFFFAOYSA-N
-rxn:2:91994:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NC2CCC(N3CCN(C)CC3)C2)cs1,RQBIVIDKJFJULO-UHFFFAOYSA-N
-rxn:2:92617:144085,CCN1CCc2c(cc(C(C)NCc3nccnc3N3CCOCC3)c(=O)n2C2CC2)C1,BSJCPPIKFFBOSJ-UHFFFAOYSA-N
-rxn:2:92894:103105,CC(C)c1nc2c(n1C)CCCC2C(NC1CCCC1(C)F)C1CC1,SNMARPVPBAETIU-UHFFFAOYSA-N
-rxn:2:93358:151416,COCC1CCN(c2ccccc2NC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1,OPTOJFORWWTOCE-UHFFFAOYSA-N
-rxn:2:93964:114414,CC1C(NCC(F)(F)CN2CCCN(C)CC2)CCN(C)C1C,BVZIBERAADJGOY-UHFFFAOYSA-N
-rxn:2:94875:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NCC1CN(C)CC1(F)F,SCSQIBMSYNYWIP-UHFFFAOYSA-N
-rxn:2:94875:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCC1CN(C)CC1(F)F,UHCVBLZGTPOPEJ-UHFFFAOYSA-N
-rxn:2:95069:162580,CCC(Nc1c(CN2CCC(C)(C)CC2)c(C)nn1C)c1ccc(N2CCS(=O)(=O)CC2)nc1,QAEZPEGBXAZBKT-UHFFFAOYSA-N
-rxn:2:95150:136190,CC(C)CC1CCCCC1NCCN1CC[Si](C)(C)CC1,RGWAUVBWKGUQLG-UHFFFAOYSA-N
-rxn:2:95195:103217,CC1CCC(F)(F)CCC1Nc1cc(C2CCC2)n(CCN(C)C)n1,FSQUPICEZKEIJW-UHFFFAOYSA-N
-rxn:2:96511:169911,CC(NCC1CC2CS(=O)(=O)CN2C1)c1cc(-c2cccc(CN3CCCC3)c2)cs1,DDEQQPJODDDTHX-UHFFFAOYSA-N
-rxn:2:96511:172044,CC(NCC1CC2CS(=O)(=O)CN2C1)c1ccc(-c2cccc(CN3CCCC3)c2)s1,JCNWYKWTMFSSJO-UHFFFAOYSA-N
-rxn:2:96732:126600,Cc1ccc(C(C)NCc2ccc(C)nc2N2CCN(C3CC3)CC2)c(OS(=O)(=O)F)c1,QDAWKCGTBKMAQD-UHFFFAOYSA-N
-rxn:2:96786:105331,CC(CNC1CCC([Si](C)(C)C)CC1)N(C)C1CCCCC1,PGKHWQAVVWGPHY-UHFFFAOYSA-N
-rxn:2:97286:85874,CN1CCN(Cc2ccc(C(NCc3cncc(N=S(C)(C)=O)c3)C3CCCC3)cc2)CC1,XSPCYIUJIBIYQC-UHFFFAOYSA-N
-rxn:2:97404:163337,CCOc1ccccc1-c1cc(C(C)NCC2(N3CCOCC3)CCS(=O)(=O)CC2)c(=O)[nH]n1,QHZAROYJQPYCRT-UHFFFAOYSA-N
-rxn:2:97637:126600,Cc1ccc(C(C)Nc2ccc(CN3CCN(CC4CC4)CC3)cn2)c(OS(=O)(=O)F)c1,PDQGUIPDWZFFLX-UHFFFAOYSA-N
-rxn:2:97754:131513,CCOCC1CCN(c2ccccc2NC(c2ccccc2)C(C)CN2CCN(C)CC2)C1,WBUFSRRRERSGQC-UHFFFAOYSA-N
-rxn:2:97926:149807,CC(C)CN1CC(C)N(C)C(CCNC(c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)cc2)C(C)C)C1,UZXQCTHTIYLHFY-UHFFFAOYSA-N
-rxn:2:99725:149971,CCc1cn(C2CCS(=O)(=O)CC2)nc1NC(C)c1cc(-c2ccnc(N3CCN(C)CC3)c2)ccn1,CPZCJOICOZZZHS-UHFFFAOYSA-N
-rxn:3:10393:61600:88309,O=C(NOC1CCCCC1)c1cc(F)ccc1OCCn1cc(CSc2ncnc3sc4c(c23)CCCC4)nn1,PWWIICAECYCUSS-UHFFFAOYSA-N
-rxn:3:11519:59957:94773,C=C(C)C[N+](C)(C)Cc1cn([C@@H](C)CC(=O)N[C@H]2C[C@@]3(CCC3(F)F)C2)nn1,DFLICGPLNJDDOY-BXWFABGCSA-O
-rxn:3:12049:49937:106065,C[C@@H](NC(=O)c1[nH]ncc1C1C(Cn2cc(C3(N(C)C)CCCCC3)nn2)C1(F)F)C12C3C4C5C3C1C5C42,OXWRTDXQENHBME-GAPPUKCJSA-N
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-rxn:1:43967:5753,CC(C)CC(Oc1ccc(Cl)cc1)c1cn([C@@H]2C[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2COP(=O)(O)O)nn1,URNFWDJHWKKUSZ-UYAUMRQOSA-N
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-rxn:1:49366:5740,CC(C)CC(Oc1ccc(F)cc1)c1cn([C@@H]2C[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2COP(=O)(O)O)nn1,VENFQXHDVVSNDL-UYAUMRQOSA-N
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-rxn:1:49479:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)N5CCCC5)CC4)nn3)c2C2CCC2)cc1,NVVLMJUNDWWNQU-UHFFFAOYSA-N
-rxn:1:49479:27055,Nc1cccc2c(N3CC(c4cn(C5CCN(S(=O)(=O)N6CCCC6)CC5)nn4)CC3=O)cccc12,BUEKWKVYKTZJND-UHFFFAOYSA-N
-rxn:1:49479:5065,O=c1c2c3c(sc2nc(-c2ccncc2)n1Cc1cn(C2CCN(S(=O)(=O)N4CCCC4)CC2)nn1)CCCC3,MLJDAGKQTMGKRG-UHFFFAOYSA-N
-rxn:1:49480:17103,Nc1cc(C2CCC2)n(-c2ccc(-c3cn(C4CCN(S(=O)(=O)N5CCOCC5)CC4)nn3)cc2)n1,PSBYVUVAQGIXTR-UHFFFAOYSA-N
-rxn:1:49480:27380,Nc1ccc(-c2csc(N3CC(c4cn(C5CCN(S(=O)(=O)N6CCOCC6)CC5)nn4)CC3=O)n2)cc1,BQTZHTASEWNLJD-UHFFFAOYSA-N
-rxn:1:49488:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC(O)P(C)(C)=O)nn1,DLDQPZMCOHGBNT-UHFFFAOYSA-N
-rxn:1:50321:17729,CN(C)CCn1nc(-c2cn(CC3C(c4ccc([N+](=O)[O-])nc4)C3(F)F)nn2)cc1C1CCCCC1,CJDVSXBUQUNELD-UHFFFAOYSA-N
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-rxn:1:51156:28130,N#CN1CCCC1C(=O)N1CCc2c(-c3c[nH]c4ncc(-c5cn([C@H]6CCC[C@H]6OC(=O)Cl)nn5)cc34)cccc21,FHIZLZLSQTZDJX-KCIKGWAESA-N
-rxn:1:51169:6257,CN1CCC(N(C)c2cc(-c3cn(CC4C(c5ccc(CO)c([N+](=O)[O-])c5)C4(F)F)nn3)ncn2)CC1,SUAFIUHKEDLXPW-UHFFFAOYSA-N
-rxn:1:51229:31722,CC(C)(C)OC(=O)NC1CC2(C1)CC(c1cn(CC3C(c4ccc5nc[nH]c(=O)c5c4)C3(F)F)nn1)C2,GEXAWLJBXTXMNA-UHFFFAOYSA-N
-rxn:1:51343:17733,CCC(CC)n1nc(-c2cn(CC3C(c4cc([N+](=O)[O-])c5cn[nH]c5c4)C3(F)F)nn2)cc1C1CCCCC1,CQOSRSAZLSTHSX-UHFFFAOYSA-N
-rxn:1:51441:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn([C@H]2C[C@](C#N)(c3ccccc3)C2)nn1,NGSMHKCWSPGXEO-CBHYQUCXSA-N
-rxn:1:51497:9418,O=C(NC1CCCCC1)OCc1cn(CC2C(c3ccc(-c4cc(C(=O)O)[nH]n4)cc3)C2(F)F)nn1,XRNUWZRFVACRCD-UHFFFAOYSA-N
-rxn:1:52156:11584,COP(=O)(NC1(c2cn(CCC3CC3c3cccc(NN)n3)nn2)CCCCC1)OC,UHMJRRGHZXSQPU-UHFFFAOYSA-N
-rxn:1:53149:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(C3CCC(C#N)C3)nn1)c1ccccc12,XOQPSPHLZVSXCQ-UHFFFAOYSA-N
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-rxn:1:54496:17644,CN(C)CCn1nc(-c2cn(CCC3C(c4cnc(O)c([N+](=O)[O-])c4)C3(F)F)nn2)cc1C1CCCC1,LAMRNGQSHJUYNS-UHFFFAOYSA-N
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-rxn:1:56255:6199,CC(C)(C)OC(=O)N1CCCN(c2cc(-c3cn(CCSc4ccc([N+](=O)[O-])cc4)nn3)ncn2)CC1,RAXXDKGXGAPTKI-UHFFFAOYSA-N
-rxn:1:56900:10334,CN1CCC(N(C)CCCn2cc(Cn3c(Cc4ccc(Cl)cc4)nc4sc5c(c4c3=O)CCCC5)nn2)CC1,NVSCAJJBUKOMBG-UHFFFAOYSA-N
-rxn:1:56900:11077,CN1CCC(N(C)CCCn2cc(CON=C(c3ccc(Cl)cc3)C3CC3)nn2)CC1,HXLFVTUIJBWNCN-UHFFFAOYSA-N
-rxn:1:56900:11604,CN1CCC(N(C)CCCn2cc(CSc3nc4cc(C(=O)N5CCN(C)CC5)ccc4[nH]3)nn2)CC1,DCHHVDOOOQONSC-UHFFFAOYSA-N
-rxn:1:56900:11999,CN1CCC(N(C)CCCn2cc(CSc3nc4c(c(=O)[nH]3)C3(CCCC3)Cc3ccccc3-4)nn2)CC1,YUQWHWQYEURXCN-UHFFFAOYSA-N
-rxn:1:56900:12974,CN1CCC(N(C)CCCn2cc(-c3cccc(C(=O)OC4CCN(c5ncc(Br)cn5)CC4)c3)nn2)CC1,USAJLNSBUZNTCK-UHFFFAOYSA-N
-rxn:1:56900:13693,CN1CCC(N(C)CCCn2cc(-c3ccc(C(=O)Nc4ncc(Br)nc4N4CCCC4)cc3)nn2)CC1,WFGUZJDGQDYKNN-UHFFFAOYSA-N
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-rxn:1:56900:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCCN(C)C4CCN(C)CC4)nn3)c2C2CCCCC2)cc1,NAFQXKMURHTKSP-UHFFFAOYSA-N
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-rxn:1:56900:26504,CN1CCC(N(C)CCCn2cc(C3CC(=O)N(c4cc(N)c(C#N)c(Br)n4)C3)nn2)CC1,JXMRDLDVUSBWLA-UHFFFAOYSA-N
-rxn:1:56900:26546,CN1CCC(N(C)CCCn2cc(C3CC(=O)N(c4cc(F)ccc4C#N)C3)nn2)CC1,QXNOSIRRRZSMPM-UHFFFAOYSA-N
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-rxn:1:59779:18195,Nc1c(C2CCC2)cnn1-c1ccccc1OCc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,LPKHPEVHDSNCDP-UHFFFAOYSA-N
-rxn:1:59779:26858,N#Cc1c(N2CC(c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)CC2=O)ccc2ncccc12,GKWJBPNXCKSXCR-UHFFFAOYSA-N
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-rxn:1:59780:27380,Nc1ccc(-c2csc(N3CC(c4cn(C5CCCN(S(=O)(=O)N6CCCCCC6)C5)nn4)CC3=O)n2)cc1,OXANBQUBDAJWCP-UHFFFAOYSA-N
-rxn:1:59780:27393,Nc1nc(-c2ccccc2)nc(N2CC(c3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)CC2=O)n1,DTHHCHOTZRPVMM-UHFFFAOYSA-N
-rxn:1:59792:21338,COc1ccc(S(=O)(=O)N2CCCC2Cn2cc(-c3cc(C4CCCCC4)nn3Cc3c(O)cccc3Br)nn2)cc1,UIGDGJBILYPYIP-UHFFFAOYSA-N
-rxn:1:59801:17179,COc1cc(-c2cn(CC3CCCN3S(=O)(=O)Cc3ccccc3F)nn2)ccc1-n1nc(C(=O)O)cc1C1CCCCC1,WXKXTYGLRDDVNF-UHFFFAOYSA-N
-rxn:1:59803:27380,Nc1ccc(-c2csc(N3CC(c4cn(CC5CCCN5S(=O)(=O)N5CCCC5)nn4)CC3=O)n2)cc1,BJBCLGOKHRXWFF-UHFFFAOYSA-N
-rxn:1:60020:23663,CN(Cc1cn(C2C=C(C#N)CC2)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,IWVKYQLOVNJVRP-SBJKIQMGSA-N
-rxn:1:60020:31846,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(C4C=C(C#N)CC4)nn3)cn2)CC1,WYJIXCPNMYCAAS-UHFFFAOYSA-N
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-rxn:1:60026:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn([C@@H]3CCc4c(Br)cccc43)nn1)c1ccccc12,FXGSPBRAOAHGKY-VNNZMUOVSA-N
-rxn:1:60028:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn([C@H]3CCc4c(Br)cccc43)nn1)c1ccccc12,FXGSPBRAOAHGKY-VZSKUFKGSA-N
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-rxn:1:60300:10211,CCc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)C3CCCCC3)C2)nn1,KNVGBBHOIWYBTI-UHFFFAOYSA-N
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-rxn:1:60300:18195,Nc1c(C2CCC2)cnn1-c1ccccc1OCc1cn(C2CCCN(S(=O)(=O)C3CCCCC3)C2)nn1,STWLEKOUHUUXCO-UHFFFAOYSA-N
-rxn:1:60300:27380,Nc1ccc(-c2csc(N3CC(c4cn(C5CCCN(S(=O)(=O)C6CCCCC6)C5)nn4)CC3=O)n2)cc1,XOMOEFBTIDSEPA-UHFFFAOYSA-N
-rxn:1:60300:28975,Cc1sc2nc(SCc3cn(C4CCCN(S(=O)(=O)C5CCCCC5)C4)nn3)nc(-n3[se]c4cccnc4c3=O)c2c1C,NVUVBBHMPJZOMY-UHFFFAOYSA-N
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-rxn:1:60300:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(C3CCCN(S(=O)(=O)C4CCCCC4)C3)nn1)c1ccccc12,LXMXNLNODWSUSW-UHFFFAOYSA-N
-rxn:1:60301:35604,COc1ncc(C(=O)Nc2ccc(C)c(-c3cn(CC4CCCN4S(=O)(=O)C4CCCCC4)nn3)c2)cc1F,BGCRQSRITOXZLT-UHFFFAOYSA-N
-rxn:1:60304:27381,Nc1nc(-c2ccc(N3CC(c4cn(C5CCCN(S(=O)(=O)N6CCOCC6)C5)nn4)CC3=O)cc2)cs1,JLEMQNRVCGTCFY-UHFFFAOYSA-N
-rxn:1:60308:28599,COc1ncccc1C(=O)N1CCC(n2cc(Cn3c(C(=O)NC4CCCC4)cc4ccccc4c3=O)nn2)CC1,HCBSBXCYBNTUOL-UHFFFAOYSA-N
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-rxn:1:61023:29661,O=[N+]([O-])c1ccc(N2CCCC(C(F)(F)F)C2)cc1-c1cn(CCN2CCC(N3CCSCC3)CC2)nn1,KFEVMDIYDFHCLD-UHFFFAOYSA-N
-rxn:1:61023:29664,O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)cc1-c1cn(CCN2CCC(N3CCSCC3)CC2)nn1,BHVVWPYAFYSFAX-UHFFFAOYSA-N
-rxn:1:61031:29661,O=[N+]([O-])c1ccc(N2CCCC(C(F)(F)F)C2)cc1-c1cn(CCN2CCN(C3CCSCC3)CC2)nn1,HSJBNDDZWWOFIG-UHFFFAOYSA-N
-rxn:1:61031:29664,O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)cc1-c1cn(CCN2CCN(C3CCSCC3)CC2)nn1,FZVLNCPVNQTYSK-UHFFFAOYSA-N
-rxn:1:61035:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CCN(C5CCC5)CC4)nn3)c2C2CCCCC2)cc1,YDPSCIQENGLCRA-UHFFFAOYSA-N
-rxn:1:61068:9268,COC1CCN(C(=O)Cn2cc(CN3C(=O)C4(C(C#N)=C(n5cccc5)N(c5ccc(Br)cn5)C5=C4C(=O)CCC5)c4ccccc43)nn2)C1,GWFNKWFMSWNRLX-UHFFFAOYSA-N
-rxn:1:61133:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(C4CN(C(=O)C5CC=CC5)C4)nn3)c(C3CCCC3)n2)cc1,JTAMVGKZGIYLBN-UHFFFAOYSA-N
-rxn:1:61133:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CN(C(=O)C5CC=CC5)C4)nn3)c2C2CCC2)cc1,WJONQDQLRSPYGS-UHFFFAOYSA-N
-rxn:1:61146:34099,CCOCC(=O)N1CC(n2cc(-c3cnccc3NC(=O)CC3CCN(C)CC3)nn2)C1,COTHNKDMYMEXHH-UHFFFAOYSA-N
-rxn:1:61181:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(C4CN(C(=O)C5CC=CCC5)C4)nn3)c(C3CCCC3)n2)cc1,LMCMGDQLAJTDSI-UHFFFAOYSA-N
-rxn:1:61181:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CN(C(=O)C5CC=CCC5)C4)nn3)c2C2CCCCC2)cc1,ZMRDSXMSJUPNJC-UHFFFAOYSA-N
-rxn:1:6119:49468,CCCn1ncc(-c2cn(C3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn2)c1C1CCCCC1,CRICTVDTGHAGSI-UHFFFAOYSA-N
-rxn:1:61230:32997,COc1ncccc1C(=O)N1CC(n2cc(C3(NS(=O)(=O)c4cc(Cl)ccc4Cl)CCCCC3)nn2)C1,DHVHAOGEGGYXPK-UHFFFAOYSA-N
-rxn:1:61260:4002,CC1CCC(N2CC(n3cc(CN(Cc4ccc5c(c4)OCO5)S(C)(=O)=O)nn3)C2)CC1,ALHHTWGHDZWIFS-UHFFFAOYSA-N
-rxn:1:61427:17179,COc1cc(-c2cn(Cc3ccc(C(=O)N4CCS(=O)(=O)CC4)o3)nn2)ccc1-n1nc(C(=O)O)cc1C1CCCCC1,UVCZXBMXNULGSV-UHFFFAOYSA-N
-rxn:1:61464:12791,CC(=O)N1CCN(C(=O)c2ccc(-c3cn(Cc4ccc(C(=O)NC5CCCCC5)s4)nn3)cc2)CC1,YNAPKQMFTQCJJP-UHFFFAOYSA-N
-rxn:1:61474:35272,CO[C@H]1C[C@@H](NC(=O)c2ccc(-c3cn(Cc4ccc(C(=O)N5CCCN(C)CC5)s4)nn3)cc2Cl)C1,CIAMGVHFPRVQRI-KDURUIRLSA-N
-rxn:1:61478:17644,CN(C)CCn1nc(-c2cn(Cc3ccc(C(=O)NC4CCS(=O)(=O)C4)s3)nn2)cc1C1CCCC1,AYGCPYIFEYFRST-UHFFFAOYSA-N
-rxn:1:61510:12096,N#CN1CCC[C@H]1C(=O)N1CCc2c(-c3cnc4[nH]cc(-c5cn([C@H]6C[C@H](OCCF)C6)nn5)cc3-4)cccc21,HOWUUTBYXOPZHW-OSOCVKALSA-N
-rxn:1:61752:14861,CSC(SC)=C1C(=O)OC(c2ccccc2)(c2cn(-c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)nn2)OC1=O,TUZALCSWLLFSNV-UHFFFAOYSA-N
-rxn:1:61752:6193,CN1CCN(c2ccc(-n3cc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ncn4)nn3)cc2[N+](=O)[O-])CC1,YCHQKWCKSSZGJX-UHFFFAOYSA-N
-rxn:1:61752:6399,CN1CCN(c2ccc(-n3cc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)nn3)cc2[N+](=O)[O-])CC1,NIMOYEJSGRNKIR-UHFFFAOYSA-N
-rxn:1:61813:24572,CCc1ccc(N2C(N)=C(C#N)C3(C(=O)N(Cc4cn(-c5ncc(Br)cc5Cl)nn4)c4ccccc43)C3=C2CCCC3=O)cc1,YQBQAMCYHWWHOR-UHFFFAOYSA-N
-rxn:1:61963:15483,CC(C)S(=O)(=O)c1ccc(-n2cc(-c3cn(-c4cn(C5OC(CO)C(O)C5O)c(=O)[nH]c4=O)nn3)c(C3CCCC3)n2)cc1,JFCHAGOAIVDOJA-UHFFFAOYSA-N
-rxn:1:61963:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(-c4cn(C5OC(CO)C(O)C5O)c(=O)[nH]c4=O)nn3)c2C2CCCCC2)cc1,JAWBWGYCXPRRIF-UHFFFAOYSA-N
-rxn:1:61979:310,O=C(c1ccc(-n2cc(-c3ccc4c5c(cccc35)C(=O)N(C3CC3)C4=O)nn2)cc1)N1CCCC(CN2CCCC2)C1,YEENHGAOUOGLTA-UHFFFAOYSA-N
-rxn:1:62014:9374,O=C(c1ccc(-n2cc(CN3CCN(S(=O)(=O)c4ccc5[nH]c(=O)oc5c4)CC3)nn2)cc1)N1CCC(CO)CC1,GOYZRUCEOVGRMW-UHFFFAOYSA-N
-rxn:1:62064:30322,Cc1nccc(CN2CCCOc3ccccc3C(=O)NCC3(CC2)CCN(C(=O)c2cn(S(=O)(=O)c4ccccc4)nn2)CC3)n1,ZMVIEOPVXKBFRD-UHFFFAOYSA-N
-rxn:1:62229:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC(=O)N3CCCC3)nn1)c1ccccc12,KAZLLKFKCPHESZ-UHFFFAOYSA-N
-rxn:1:62297:12419,O=C(Nc1ccc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)cc1)C1CC(F)(F)C1,FCZTYVGIMBZABM-UHFFFAOYSA-N
-rxn:1:62297:12604,Cc1cc(Br)cnc1N1CCN(C(=O)c2cccc(-c3cn(C4CC(n5ccc(=O)[nH]c5=O)OC4COP(=O)(O)O)nn3)c2)CC1,LKTNRGRHKQIPDJ-UHFFFAOYSA-N
-rxn:1:62297:12608,O=C(c1cccc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1)N1CCN(Cc2ccc(F)cc2)CC1,GOYMQMJVPRKJIV-UHFFFAOYSA-N
-rxn:1:62297:12751,O=C(c1ccc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)cc1)N1CCN(Cc2ccc(F)cc2)CC1,YONIYAPYFLCCOA-UHFFFAOYSA-N
-rxn:1:62297:16656,COc1cc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)ccc1-n1ncc(Cl)c1CC1CC1,QQPYUNHRZOFZKG-UHFFFAOYSA-N
-rxn:1:62297:22775,O=c1ccn(C2CC(n3cc(-c4cncc(-n5nc(C6CCCCC6)cc5Br)c4)nn3)C(COP(=O)(O)O)O2)c(=O)[nH]1,YOEKRJIFCFXMDW-UHFFFAOYSA-N
-rxn:1:62297:22777,O=c1ccn(C2CC(n3cc(-c4cncc(-n5nc(C6CCCCC6)c(Cl)c5Br)c4)nn3)C(COP(=O)(O)O)O2)c(=O)[nH]1,UNBRFWMHFXGUNL-UHFFFAOYSA-N
-rxn:1:62297:26325,O=C1CC(c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)CN1c1[nH]ncc1-c1cccc(Cl)c1,JQUNNGNZZFXZLJ-UHFFFAOYSA-N
-rxn:1:62297:26683,O=C1CC(c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)CN1c1ccc(-n2cc(Br)cn2)cc1,CZXOWMPPXLMTNE-UHFFFAOYSA-N
-rxn:1:62297:29380,O=C(c1ccccc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1)N1CCCC(F)(F)C1,FIXVUYSXNLWUKW-UHFFFAOYSA-N
-rxn:1:62297:29431,COC1CCN(c2ccc(-c3cn(C4CC(n5ccc(=O)[nH]c5=O)OC4COP(=O)(O)O)nn3)cc2Cl)CC1,XNXGADXJZAPVEI-UHFFFAOYSA-N
-rxn:1:62297:33869,CC(C)(C(=O)Nc1ccncc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1)c1ccc(Cl)cc1,HBAGKZMWHBPYIO-UHFFFAOYSA-N
-rxn:1:62297:8322,O=C(c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1)N1CCCC(c2cccc(Cc3ccc(F)cc3)n2)C1,KDBQOOAWVHPNOF-UHFFFAOYSA-N
-rxn:1:62335:36046,CCn1nccc1-c1cncc(-c2cn(C3CN(C(=O)OC(C)(C)C)C4(CCS(=O)(=O)CC4)C3)nn2)c1,UFSMIWXAMURWMJ-UHFFFAOYSA-N
-rxn:1:62377:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn([C@@H]3CCCc4c(F)cc(F)cc43)nn1)c1ccccc12,YVAWERRHYVJMQY-DDAOKAKDSA-N
-rxn:1:63058:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(CC4CC(=O)N(C5CCC(N(C)C)CC5)C4)nn3)c(C3CCCC3)n2)cc1,XONDQKVRJLIOBR-UHFFFAOYSA-N
-rxn:1:63058:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CC4CC(=O)N(C5CCC(N(C)C)CC5)C4)nn3)c2C2CCCCC2)cc1,WGGXJSOTQSLUSL-UHFFFAOYSA-N
-rxn:1:63067:10098,Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,MFHMNRUARVDFNS-UHFFFAOYSA-N
-rxn:1:63067:10273,CN(C)C1(CN2CC(Cn3cc(Cn4c(-c5ccc(Cl)cc5)nc5sc6c(c5c4=O)CCC6)nn3)CC2=O)CCOCC1,PDWHXZMLIPWYOH-UHFFFAOYSA-N
-rxn:1:63067:10362,CN(C)C1(CN2CC(Cn3cc(CSc4nc5scc(-c6ccc(Br)cc6)c5c(=O)[nH]4)nn3)CC2=O)CCOCC1,GZMSIMPJENSEDC-UHFFFAOYSA-N
-rxn:1:63067:10413,CN(C)C1(CN2CC(Cn3cc(Cn4c(=O)[nH]c5scc(-c6ccc(Br)cc6)c5c4=O)nn3)CC2=O)CCOCC1,WOSCVWHQXVCDGD-UHFFFAOYSA-N
-rxn:1:63067:10480,Cc1cc2c(SCc3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)ncnc2s1,UHHYDPXJYWCURG-UHFFFAOYSA-N
-rxn:1:63067:1251,CN(C)c1ccc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cn1,BOXUGJSYWCKWEB-UHFFFAOYSA-N
-rxn:1:63067:14599,CC(C)n1ccc2cc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)ccc21,UOEJLQBXVRQTFQ-UHFFFAOYSA-N
-rxn:1:63067:15019,CN(C)C1(CN2CC(Cn3cc(COc4ccc(-n5[nH]c(=O)cc5Br)cc4)nn3)CC2=O)CCOCC1,PMFDRVXYSCZQBD-UHFFFAOYSA-N
-rxn:1:63067:15026,CN(C)C1(CN2CC(Cn3cc(COc4ccc(-n5[nH]c(=O)cc5Cl)cc4)nn3)CC2=O)CCOCC1,AXAQYJWGMRCEJO-UHFFFAOYSA-N
-rxn:1:63067:15028,CN(C)C1(CN2CC(Cn3cc(COc4ccccc4-n4[nH]c(=O)cc4Cl)nn3)CC2=O)CCOCC1,UTSDZWCFJCXZAZ-UHFFFAOYSA-N
-rxn:1:63067:15035,CN(C)C1(CN2CC(Cn3cc(COc4ccccc4-n4[nH]c(=O)cc4I)nn3)CC2=O)CCOCC1,QQGGNJQGJGIZEX-UHFFFAOYSA-N
-rxn:1:63067:15261,Cc1cc(-n2[nH]c(=O)cc2-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)ncc1F,IBMNQCKZIAUGNQ-UHFFFAOYSA-N
-rxn:1:63067:15284,Cc1cnc(-n2[nH]c(=O)cc2-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cc1Br,WDDUGNJNTMJMTD-UHFFFAOYSA-N
-rxn:1:63067:16827,CC(C)c1c(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cnn1C1CCS(=O)(=O)CC1,GVKZFKSGCJZXEQ-UHFFFAOYSA-N
-rxn:1:63067:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c2C2CCC2)cc1,FOAASZMFYKDEGA-UHFFFAOYSA-N
-rxn:1:63067:17877,CC(C)CCn1ccnc1-c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,TUMWQFYYVCJUDU-UHFFFAOYSA-N
-rxn:1:63067:18810,CC(C)C(C)n1nccc1-c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,ZQWFFVKWIFIXRY-UHFFFAOYSA-N
-rxn:1:63067:22554,CN(C)C1(CN2CC(Cn3cc(-c4ccc(Cn5[nH]c(=O)cc5Br)cc4)nn3)CC2=O)CCOCC1,SJNIAOMNHRUQIA-UHFFFAOYSA-N
-rxn:1:63067:22590,CN(C)C1(CN2CC(Cn3cc(-c4ccc(-n5ncc(C#N)c5Cl)cc4)nn3)CC2=O)CCOCC1,KWLVMDRBLQYTRL-UHFFFAOYSA-N
-rxn:1:63067:22612,CN(C)C1(CN2CC(Cn3cc(COc4ccccc4-n4ncc(C#N)c4Br)nn3)CC2=O)CCOCC1,AOXUIVGPLMTQCN-UHFFFAOYSA-N
-rxn:1:63067:22630,CN(C)C1(CN2CC(Cn3cc(COc4ccccc4-n4ncc(C#N)c4I)nn3)CC2=O)CCOCC1,WBPLJEDHBAMQHM-UHFFFAOYSA-N
-rxn:1:63067:22659,CSc1cnn(-c2cncc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c2)c1Br,DVPOWBXWEMBVMY-UHFFFAOYSA-N
-rxn:1:63067:22661,CSc1cnn(-c2cncc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c2)c1I,MCORMFARAQNCCN-UHFFFAOYSA-N
-rxn:1:63067:23477,CN(C)C1(CN2CC(Cn3cc(CN4C=Nc5ncc(Br)cc5S4(=O)=O)nn3)CC2=O)CCOCC1,SHLVLLINKPOTHC-UHFFFAOYSA-N
-rxn:1:63067:27942,CN(C)c1ccncc1-c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,DMRMRPNYHWZICZ-UHFFFAOYSA-N
-rxn:1:63067:28976,CN(C)C1(CN2CC(Cn3cc(COc4ccccc4-n4[se]c5cccnc5c4=O)nn3)CC2=O)CCOCC1,MRKLHRBBLQHYJG-UHFFFAOYSA-N
-rxn:1:63067:28986,CN(C)C1(CN2CC(Cn3cc(CSc4n[nH]c(-n5[se]c6cccnc6c5=O)n4)nn3)CC2=O)CCOCC1,UUJJKFBSLGIAIA-UHFFFAOYSA-N
-rxn:1:63067:29033,CN(C)C1(CN2CC(Cn3cc(COc4ccc(-n5[se]c6ncccc6c5=O)cc4)nn3)CC2=O)CCOCC1,NIKWGOGECMEHCW-UHFFFAOYSA-N
-rxn:1:63067:29331,CN(C)C1(CN2CC(Cn3cc(COc4nc5c(Cl)cccc5s4)nn3)CC2=O)CCOCC1,ZMGKXFALKJJLAL-UHFFFAOYSA-N
-rxn:1:63067:31210,CN(C)C1(CN2CC(Cn3cc(-c4ccc(C#N)c(F)c4F)nn3)CC2=O)CCOCC1,FSSGEKQQTUDBKP-UHFFFAOYSA-N
-rxn:1:63067:31490,CC(C)c1cccc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)n1,IKHOVMZWOMZXPR-UHFFFAOYSA-N
-rxn:1:63067:31821,CN(C)C1(CN2CC(Cn3cc(-c4cnc(C#N)c(Cl)c4)nn3)CC2=O)CCOCC1,ZGVKJWGBJQQUCK-UHFFFAOYSA-N
-rxn:1:63067:32054,Cc1c(-c2ccnc(SCc3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)n2)sc2ccc(Cl)cc12,AFYWQKKTQSFBPP-UHFFFAOYSA-N
-rxn:1:63067:36118,CN(C)Cc1ccc(-c2ccc(F)cc2-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cc1,VUINPCMRZRZHNB-UHFFFAOYSA-N
-rxn:1:63067:36438,CN1CCN(c2ccc(-c3ccc(F)cc3-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)cn2)CC1,OBHZYBIBYLVKNE-UHFFFAOYSA-N
-rxn:1:63067:37193,COc1cc2c(=O)[nH]cnc2cc1-c1ccc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cc1,UBLIELGREGCCJJ-UHFFFAOYSA-N
-rxn:1:63067:38762,CN(C)C1(CN2CC(Cn3cc(-c4nc(Cl)c(C#N)cc4F)nn3)CC2=O)CCOCC1,KAZDTZKBZQRDQH-UHFFFAOYSA-N
-rxn:1:63067:4715,CN(C)C1(CN2CC(Cn3cc(CCC(=O)Nc4nccs4)nn3)CC2=O)CCOCC1,GKWYFHKOAFFLEC-UHFFFAOYSA-N
-rxn:1:63067:6363,CN(C)C1(CN2CC(Cn3cc(-c4ncc(C#N)cc4Cl)nn3)CC2=O)CCOCC1,LYSBJFXIQIWBJN-UHFFFAOYSA-N
-rxn:1:63067:6892,CN(C)C1(CN2CC(Cn3cc(Cn4cc(CBr)c(-c5ccsc5)n4)nn3)CC2=O)CCOCC1,OEKMTNKMORIWMC-UHFFFAOYSA-N
-rxn:1:63067:7451,CC(C)c1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)on1,QWUFGWFDHGRMJP-UHFFFAOYSA-N
-rxn:1:63067:7871,CN(C)C1(CN2CC(Cn3cc(C(=O)Nc4nc(-c5ccccn5)cs4)nn3)CC2=O)CCOCC1,UZCLHGPQSANREA-UHFFFAOYSA-N
-rxn:1:63081:29709,COC1CCN(C(=O)c2ccc(-c3cn(CC4CC(=O)N(c5ccc(N6CCN(C)CC6)cn5)C4)nn3)cc2)CC1,FKHSNYPJGOBGJJ-UHFFFAOYSA-N
-rxn:1:63108:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn([C@@H]3CCCc4ccc(Cl)cc43)nn1)c1ccccc12,GYGPCZRVDROQQJ-DDAOKAKDSA-N
-rxn:1:63112:9268,N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn([C@H]3CCCc4ccc(Cl)cc43)nn1)c1ccccc12,GYGPCZRVDROQQJ-DILFZRPZSA-N
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-rxn:3:18814:64509:70016,CC(C1CCCCC1)n1nccc1-c1cn(-c2cncc(C(=O)NCCOC3CCS(=O)(=O)CC3)c2)nn1,KBVKSAIGTKIEMJ-UHFFFAOYSA-N
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-rxn:3:31769:42681:92433,C[Si](C)(C)CCONC(=O)c1ncccc1C#CCn1cc(C2=CCC(F)(F)CC2)nn1,MVGBRMWELBDSJP-UHFFFAOYSA-N
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-rxn:3:31769:44005:112976,C[Si](C)(C)ONC(=O)c1cscc1C#CCCn1cc(C2=CCC(F)(F)CC2)nn1,ZLOKKHGBLNFMBE-UHFFFAOYSA-N
-rxn:3:31769:44514:112976,C[Si](C)(C)ONC(=O)c1ncccc1C#CCCn1cc(C2=CCC(F)(F)CC2)nn1,BNVOJCXDUNYRRN-UHFFFAOYSA-N
-rxn:3:31769:44514:81017,C[Si](C)(C)OCCNC(=O)c1ncccc1C#CCCn1cc(C2=CCC(F)(F)CC2)nn1,IPAGSAJXNRPZFN-UHFFFAOYSA-N
-rxn:3:31769:44516:112976,C[Si](C)(C)ONC(=O)c1cccc(C#CCCn2cc(C3=CCC(F)(F)CC3)nn2)n1,ZPTYQIHPTUEBPA-UHFFFAOYSA-N
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-rxn:3:37650:62323:71118,CC(Cn1cc(CCSc2ncc3nccnc3n2)nn1)C(=O)NCC1(S(C)(=O)=O)CCOCC1,JCDHWKNFTDANAZ-UHFFFAOYSA-N
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-rxn:3:38287:65592:100874,COC1(CNC(=O)Cc2nnc(N3CC(Cn4cc(-c5nccn6cncc56)nn4)CC3=O)[nH]2)CS(=O)(=O)C1,RQCYOOKOXCXNJB-UHFFFAOYSA-N
-rxn:3:38287:65592:76650,COCC1(CNC(=O)Cc2nnc(N3CC(Cn4cc(-c5nccn6cncc56)nn4)CC3=O)[nH]2)CS(=O)(=O)C1,KLAXFLCVMKBPCV-UHFFFAOYSA-N
-rxn:3:38327:49937:79124,Cc1cnc(-c2cn(CC3C(c4cn[nH]c4C(=O)NCC4(S(=O)(=O)C5CCCC5)COC4)C3(F)F)nn2)cn1,PFKKBRANXIJYBP-UHFFFAOYSA-N
-rxn:3:38328:56298:111610,Cc1nccnc1-c1cn(CC2CC2c2cc(C(=O)NC3(COS(=O)(=O)[O-])CCCC3)c(F)cn2)nn1,PUANWZKMXORIPN-UHFFFAOYSA-M
-rxn:3:38328:56299:111610,Cc1nccnc1-c1cn(CC2CC2c2nccc(C(=O)NC3(COS(=O)(=O)[O-])CCCC3)c2F)nn1,LWHHZMJHCUFHME-UHFFFAOYSA-M
-rxn:3:39321:60588:122582,CC(C)C[C@H](C(=O)NC1CC12CC2(F)F)n1cc(CCN(C)C)nn1,KVLOPIAYQMMIAG-VQCLRJIVSA-N
-rxn:3:39321:60588:91143,CC(C)C[C@H](C(=O)NC1CCC2(C1)CC2(F)F)n1cc(CCN(C)C)nn1,LWHVJTMRWSMAGS-BFHRDPOASA-N
-rxn:3:39331:56298:130191,CC(C)C=Cc1cn(CC2CC2c2cc(C(=O)NCSC3CCCCC3)c(F)cn2)nn1,SZJGSLXAWYUUPY-UHFFFAOYSA-N
-rxn:3:39331:58229:130191,CC(C)C=Cc1cn(CCCc2cc(C(=O)NCSC3CCCCC3)c(F)cn2)nn1,KGRMMCFXDYLVGN-UHFFFAOYSA-N
-rxn:3:39390:42180:131256,C=CCCCc1cn(CC#Cc2ccc(C(=O)NCC3CC(F)(COC)C3)o2)nn1,KKSZLMSHPDCUKQ-UHFFFAOYSA-N
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-rxn:3:40949:2259:67345,CCN1CCC(c2cn(CC=Cc3ccc(CC(=O)Nc4cc5c(cc4OC)OCO5)nc3)nn2)CC1,GUXCHVLVGLMQGV-UHFFFAOYSA-N
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-rxn:3:41045:7852:111285,CC(NC(=O)Cc1ccc(F)cc1C=CCn1cc(C2(N(C)C)CCN(C)CC2)nn1)c1ccsc1,XPSFIANRKSDRIG-UHFFFAOYSA-N
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-rxn:3:42180:8607:83031,CN(C)C(c1cn(CC#Cc2ccc(C(=O)NC3C(F)(F)C34CCC4)o2)nn1)C1CC1,LUDKMDYKVZTLGF-UHFFFAOYSA-N
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-rxn:3:44513:14425:69106,CCCCC1CCC(c2cn(CCC#Cc3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)nc3)nn2)CC1,JPVRHDLANVLUBJ-UHFFFAOYSA-N
-rxn:3:44514:5463:92433,C[Si](C)(C)CCONC(=O)c1ncccc1C#CCCn1cc(C2CC3(C2)CC(F)(F)C3)nn1,BEAZDPQRJSGKCF-UHFFFAOYSA-N
-rxn:3:44824:2259:67346,CCN1CCC(c2cn(CCC#Cc3nccc(C(=O)NCC(OC)c4ccc(C)s4)c3F)nn2)CC1,BJRSWDFVKFQVDY-UHFFFAOYSA-N
-rxn:3:45142:6382:67474,CCC1C(F)(F)C12CCC(NC(=O)COc1ccc(-n3cc(-c4nccc(N(C)C)n4)nn3)cc1)CC2,WIJRJAQIMIDIHP-UHFFFAOYSA-N
-rxn:3:45142:6449:66355,C=CCCn1cc(-c2cn(-c3ccc(OCC(=O)NC4CCC5(CC4)CS(=O)(=O)C5)cc3)nn2)cn1,LODIRWGEPSMETL-UHFFFAOYSA-N
-rxn:3:45168:16806:83031,CCc1c(-c2cn(-c3cccc(CCC(=O)NC4C(F)(F)C45CCC5)c3)nn2)cnn1CCN(C)C,YYFOFCHNXRDMJS-UHFFFAOYSA-N
-rxn:3:45168:16813:83031,CC(C)c1c(CN(C)C)cnn1Cc1cn(-c2cccc(CCC(=O)NC3C(F)(F)C34CCC4)c2)nn1,DMKSFFDDMOVYNE-UHFFFAOYSA-N
-rxn:3:45168:17644:86559,CN(C)CCn1nc(-c2cn(-c3cccc(CCC(=O)NC4C(F)(F)C45CC5)c3)nn2)cc1C1CCCC1,WGWMTWNLCIKCPO-UHFFFAOYSA-N
-rxn:3:46343:23158:69013,CCN1CCC(c2cn(CCC=Cc3nccc(C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)c3F)nn2)C1,FCXMEWQLAXWPCY-UHFFFAOYSA-N
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-rxn:3:47746:2850:83031,CN(C)c1ncccc1-c1cn(-c2c(F)cc3c(=O)c(C(=O)NC4C(F)(F)C45CCC5)cn(C4CC4)c3c2F)nn1,DRKSKCFZEUVWAF-UHFFFAOYSA-N
-rxn:3:47746:2850:99917,CN(C)c1ncccc1-c1cn(-c2c(F)cc3c(=O)c(C(=O)N[C@@H]4C[C@@H]5CCCC[C@@H]54)cn(C4CC4)c3c2F)nn1,XTDJELZINAWWCA-TXBYWVTISA-N
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-rxn:3:49499:6404:69415,CC(C)c1cc(NC(=O)[C@H]2C[C@H](Cn3cc(-c4cnc(N5CCCN(C)CC5)nc4)nn3)C2)ccc1OS(=O)(=O)F,YYIODILJKHMPNT-MXVIHJGJSA-N
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-rxn:3:50150:28143:122549,C[C@@H](NC(=O)Cc1cc(C2C(Cn3cc([C@H]4CC[C@@H](N(C)C)CC4)nn3)C2(F)F)cs1)C1COC1,XOKJJSSVZQGNJU-RHTJGTCOSA-N
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-rxn:3:50437:18701:69768,CCn1cc(-c2cn(CC3C(c4ncccc4C(=O)N[C@@H]4C[C@]4(C)OC)C3(F)F)nn2)c(C2CC2)n1,SDIJDKSXCLPMSM-WHOVGHDKSA-N
-rxn:3:50437:2259:66055,CCN1CCC(c2cn(CC3C(c4ncccc4C(=O)NOc4ccc(OC)cc4OC)C3(F)F)nn2)CC1,VFVHTIASDCFLSP-UHFFFAOYSA-N
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-rxn:3:56299:16782:83031,Cc1c(-c2cn(CC3CC3c3nccc(C(=O)NC4C(F)(F)C45CCC5)c3F)nn2)cnn1CCN(C)C,XMZDLCZZIFMRSG-UHFFFAOYSA-N
-rxn:3:56299:16782:86559,Cc1c(-c2cn(CC3CC3c3nccc(C(=O)NC4C(F)(F)C45CC5)c3F)nn2)cnn1CCN(C)C,GOQWBEYQLAGDRW-UHFFFAOYSA-N
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-rxn:3:56299:16806:86559,CCc1c(-c2cn(CC3CC3c3nccc(C(=O)NC4C(F)(F)C45CC5)c3F)nn2)cnn1CCN(C)C,PDMWEKZQTWHSLZ-UHFFFAOYSA-N
-rxn:3:56299:16813:86559,CC(C)c1c(CN(C)C)cnn1Cc1cn(CC2CC2c2nccc(C(=O)NC3C(F)(F)C34CC4)c2F)nn1,CCTMMOMHIZOYBM-UHFFFAOYSA-N
-rxn:3:56299:17644:83031,CN(C)CCn1nc(-c2cn(CC3CC3c3nccc(C(=O)NC4C(F)(F)C45CCC5)c3F)nn2)cc1C1CCCC1,ORJLSXVDIIOBGE-UHFFFAOYSA-N
-rxn:3:56299:17644:86559,CN(C)CCn1nc(-c2cn(CC3CC3c3nccc(C(=O)NC4C(F)(F)C45CC5)c3F)nn2)cc1C1CCCC1,HWGNBLLTCQMYIA-UHFFFAOYSA-N
-rxn:3:56299:1911:127163,C=CCN(C)Cc1cn(CC2CC2c2nccc(C(=O)N[C@H]3CC[C@H](OC)CC3)c2F)nn1,QZQDDVPDBUOIBW-KDMCPBTNSA-N
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-rxn:3:56299:6257:120574,CN1CCC(N(C)c2cc(-c3cn(CC4CC4c4nccc(C(=O)NC56CCCC5CS(=O)(=O)C6)c4F)nn3)ncn2)CC1,LWXAUJAMKZAQJA-UHFFFAOYSA-N
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-rxn:3:56299:6449:108806,C=CCCn1cc(-c2cn(CC3CC3c3nccc(C(=O)NCC4CCC5(CCS(=O)(=O)CC5)O4)c3F)nn2)cn1,JIEMEQFYSSLBGI-UHFFFAOYSA-N
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-rxn:3:56330:28575:69013,CCc1cccnc1-c1cn(CC2CC2c2ccc(CC(=O)NC3(C4CCS(=O)(=O)C4)CCCCC3)nc2)nn1,PRBKIDRCDNSGRM-UHFFFAOYSA-N
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-rxn:3:56520:29726:141028,CCS(=O)(=O)c1ccc(CNC(=O)c2nc(SC)ncc2C2CC2Cn2cc(C3=CCCCCCCCCCC3)nn2)s1,NDZDJAHIGSRMRZ-UHFFFAOYSA-N
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-rxn:3:57883:16782:83031,Cc1c(-c2cn(CCCc3ccc(C(=O)NC4C(F)(F)C45CCC5)nc3)nn2)cnn1CCN(C)C,CJUXFJVMNFFAOK-UHFFFAOYSA-N
-rxn:3:57883:1911:83031,C=CCN(C)Cc1cn(CCCc2ccc(C(=O)NC3C(F)(F)C34CCC4)nc2)nn1,JXABFRYQVUWMPU-UHFFFAOYSA-N
-rxn:3:57883:8620:69083,CC(NC(=O)c1ccc(CCCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)cn1)C1COC1,FEAUSAGKNQOWEX-UHFFFAOYSA-N
-rxn:3:57886:16782:95904,Cc1c(-c2cn(CCCc3cccc(C(=O)NC4CC5(C4)CC5(F)F)n3)nn2)cnn1CCN(C)C,FTHALTAHGPFJNE-UHFFFAOYSA-N
-rxn:3:58229:11707:108806,C=CCn1cc(-c2cn(CCCc3cc(C(=O)NCC4CCC5(CCS(=O)(=O)CC5)O4)c(F)cn3)nn2)cn1,HNYDNCULBYQXTG-UHFFFAOYSA-N
-rxn:3:58229:16782:107063,Cc1c(-c2cn(CCCc3cc(C(=O)NC4CCCC4(F)F)c(F)cn3)nn2)cnn1CCN(C)C,AOENUJJRLGVIBR-UHFFFAOYSA-N
-rxn:3:58229:16782:83031,Cc1c(-c2cn(CCCc3cc(C(=O)NC4C(F)(F)C45CCC5)c(F)cn3)nn2)cnn1CCN(C)C,UEEXROZHROXAPS-UHFFFAOYSA-N
-rxn:3:58229:16782:86559,Cc1c(-c2cn(CCCc3cc(C(=O)NC4C(F)(F)C45CC5)c(F)cn3)nn2)cnn1CCN(C)C,NEGNUEURGJKJAS-UHFFFAOYSA-N
-rxn:3:58229:17621:65938,CCn1nc(-c2cn(CCCc3cc(C(=O)NCC4COCCS(=O)(=O)C4)c(F)cn3)nn2)cc1C1CCC1,NAOLVZPSCMVQTI-UHFFFAOYSA-N
-rxn:3:58229:1911:83031,C=CCN(C)Cc1cn(CCCc2cc(C(=O)NC3C(F)(F)C34CCC4)c(F)cn2)nn1,LGCVSEMSENYACT-UHFFFAOYSA-N
-rxn:3:58229:6382:108806,CN(C)c1ccnc(-c2cn(CCCc3cc(C(=O)NCC4CCC5(CCS(=O)(=O)CC5)O4)c(F)cn3)nn2)n1,XTJZZFVEJQOMIT-UHFFFAOYSA-N
-rxn:3:59446:6219:86559,CN(CCC#N)c1cc(-c2cn([C@H]3C[C@@H](C(=O)NC4C(F)(F)C45CC5)C3)nn2)ncn1,HMNOARCNIBQTQQ-NCNPBXTDSA-N
-rxn:3:59957:18745:68555,CCc1nn(CC2CC2(F)F)cc1-c1cn([C@@H](C)CC(=O)NC2CCCC(C(C)C)C2)nn1,CLUXVSMGMZFCKE-ZBZISHEGSA-N
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-rxn:3:60580:28143:85714,C=CC[C@@H](C(=O)NCC1CCC(F)(F)CO1)n1cc([C@H]2CC[C@@H](N(C)C)CC2)nn1,JRKYFUBHKSGMQN-RZRMAFQFSA-N
-rxn:3:60580:31814:85714,C=CC[C@@H](C(=O)NCC1CCC(F)(F)CO1)n1cc(C2(CN(C)C)CC2)nn1,IOBFVWUJMYOTTB-LOACHALJSA-N
-rxn:3:60580:7075:113048,C=CC[C@@H](C(=O)NCC1CCOC12CCS(=O)(=O)CC2)n1cc(-c2cccnc2N2CCN(C)CC2)nn1,OZGXXIJKNBCTKL-AKRCKQFNSA-N
-rxn:3:60582:38467:85432,C=CC[C@H](C(=O)NC1CCCC2C1C2(F)F)n1cc(CN(C)C2CCCCC2)nn1,UUYRTBKUIQFKGC-WMGUDHAHSA-N
-rxn:3:60582:39618:85432,C=CC[C@H](C(=O)NC1CCCC2C1C2(F)F)n1cc(CN(C)C2CCN(C)CC2)nn1,UESTXPFFOAMGEI-WMGUDHAHSA-N
-rxn:3:60582:6403:113048,C=CC[C@H](C(=O)NCC1CCOC12CCS(=O)(=O)CC2)n1cc(-c2cnc(N3CCN(C)CC3)nc2)nn1,YSTZHEMJDZKRPA-LWMIZPGFSA-N
-rxn:3:60582:6403:85638,C=CC[C@H](C(=O)NC1C(C)CCCC1F)n1cc(-c2cnc(N3CCN(C)CC3)nc2)nn1,UBBBAPLRRBQFOX-PNURWXJNSA-N
-rxn:3:60582:7075:113048,C=CC[C@H](C(=O)NCC1CCOC12CCS(=O)(=O)CC2)n1cc(-c2cccnc2N2CCN(C)CC2)nn1,OZGXXIJKNBCTKL-GWQXNCQPSA-N
-rxn:3:60582:7851:110162,C=CC[C@H](C(=O)NC1C(C)CCC1F)n1cc(C2(N(C)C)CCCC2)nn1,IFFSBGQCLNHTHS-LMBQMVEXSA-N
-rxn:3:60582:8607:85638,C=CC[C@H](C(=O)NC1C(C)CCCC1F)n1cc(C(C2CC2)N(C)C)nn1,XCTYIHRXOAAXQM-AFVQJNDASA-N
-rxn:3:60588:8607:86559,CC(C)C[C@H](C(=O)NC1C(F)(F)C12CC2)n1cc(C(C2CC2)N(C)C)nn1,MLJRZTWHQZBGTC-HPUBIQBYSA-N
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-rxn:3:6123:62466:129999,Cn1ncc(-c2cn(C3CCC(C(=O)Nc4ccccc4OS(=O)(=O)F)C4CCC43)nn2)c1C1CCCCC1,CVZMMSRCNZNPIS-UHFFFAOYSA-N
-rxn:3:6215:49127:100874,CCOC(Cn1cc(-c2cc(N3CCCC3)ncn2)nn1)C(=O)NCC1(OC)CS(=O)(=O)C1,MATLOQPKWJFURB-UHFFFAOYSA-N
-rxn:3:6215:49127:81395,CCOC(Cn1cc(-c2cc(N3CCCC3)ncn2)nn1)C(=O)NCC1(C)CS(=O)(=O)C1,YVNRLOMTYMLGMX-UHFFFAOYSA-N
-rxn:3:62466:15533:136751,CC(C)Cc1nn(C2CCCC2)cc1-c1cn(C2CCC(C(=O)NCc3ccsc3S(=O)(=O)C3CC3)C3CCC32)nn1,GIBVCKUBQJXNDE-UHFFFAOYSA-N
-rxn:3:62466:15533:83860,CC(C)Cc1nn(C2CCCC2)cc1-c1cn(C2CCC(C(=O)Nc3cccc(OS(=O)(=O)F)c3)C3CCC32)nn1,KEMIRFMWRKUECM-UHFFFAOYSA-N
-rxn:3:62466:15538:151955,CC(C)Cc1nn(C2CCCSC2)cc1-c1cn(C2CCC(C(=O)Nc3ccc4ccc(OS(=O)(=O)F)cc4c3)C3CCC32)nn1,WSIJDXIRQBASAM-UHFFFAOYSA-N
-rxn:3:62466:15668:83860,CC(C)n1cc(-c2cn(C3CCC(C(=O)Nc4cccc(OS(=O)(=O)F)c4)C4CCC43)nn2)c(C2CCCCC2)n1,SDCGYOZGHQXPRF-UHFFFAOYSA-N
-rxn:3:62466:15668:92547,CC(C)n1cc(-c2cn(C3CCC(C(=O)Nc4ccc(OS(=O)(=O)F)cc4)C4CCC43)nn2)c(C2CCCCC2)n1,XDUJFYVZSTVDLF-UHFFFAOYSA-N
-rxn:3:62466:16826:81931,CC(C)c1c(-c2cn(C3CCC(C(=O)NCc4ccc(S(=O)(=O)F)s4)C4CCC43)nn2)cnn1C1CCSCC1,DIWLQUMWRPVJQK-UHFFFAOYSA-N
-rxn:3:62466:16873:136751,CC(C)Cn1ncc(-c2cn(C3CCC(C(=O)NCc4ccsc4S(=O)(=O)C4CC4)C4CCC43)nn2)c1C1CCCC1,YMSTZGHHWJYDCC-UHFFFAOYSA-N
-rxn:3:62466:16873:81931,CC(C)Cn1ncc(-c2cn(C3CCC(C(=O)NCc4ccc(S(=O)(=O)F)s4)C4CCC43)nn2)c1C1CCCC1,NIRDSYPLIJRQRF-UHFFFAOYSA-N
-rxn:3:62466:16951:83860,CC(C)Cn1ncc(-c2cn(C3CCC(C(=O)Nc4cccc(OS(=O)(=O)F)c4)C4CCC43)nn2)c1CC1CCCC1,STBJMCKMYVMJIC-UHFFFAOYSA-N
-rxn:3:62466:17722:136751,CC(C)n1nc(-c2cn(C3CCC(C(=O)NCc4ccsc4S(=O)(=O)C4CC4)C4CCC43)nn2)cc1C1CCCCC1,AUYDOHUIBGSSJU-UHFFFAOYSA-N
-rxn:3:62466:36914:65938,CCn1nccc1-c1cc(F)cc(-c2cn(C3CCC(C(=O)NCC4COCCS(=O)(=O)C4)C4CCC43)nn2)c1,IDXYTDYHTVNNET-UHFFFAOYSA-N
-rxn:3:62466:6120:136751,CC(C)n1ncc(-c2cn(C3CCC(C(=O)NCc4ccsc4S(=O)(=O)C4CC4)C4CCC43)nn2)c1C1CCCCC1,BFQBEIVCKUOMIS-UHFFFAOYSA-N
-rxn:3:62479:20057:66389,CCc1cc(-c2cn(C(C(=O)NC3CCCCC(OC)C3)C(C)C)nn2)n(CC2CC2(F)F)n1,AOVFOBIKYSAMQE-UHFFFAOYSA-N
-rxn:3:62782:16780:81931,Cc1c(-c2cn(CC3CC(=O)N(C(C(=O)NCc4ccc(S(=O)(=O)F)s4)C4CCCC4)C3)nn2)cnn1C1CCCSC1,OANHMPYRYKSDCW-UHFFFAOYSA-N
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-rxn:3:6397:40563:120574,O=C(NC12CCCC1CS(=O)(=O)C2)c1ccncc1C=CCn1cc(-c2cnc(N3CCCCC3)nc2)nn1,KDLWKKZMTNRGGV-UHFFFAOYSA-N
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-rxn:3:64729:7075:69013,CN1CCN(c2ncccc2-c2cn(CC3CC(=O)N(c4ccc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)CC1,QBFUHBKTCYYFJU-UHFFFAOYSA-N
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-rxn:3:64902:3396:69013,CC(C)n1ccnc1-c1cn(CC2CC(=O)N(c3ccncc3C(=O)NC3(C4CCS(=O)(=O)C4)CCCCC3)C2)nn1,HARKYNHEBHYOOO-UHFFFAOYSA-N
-rxn:3:64902:7663:69013,CC(C)c1nccc(-c2cn(CC3CC(=O)N(c4ccncc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)n1,XQNNHWVLTYGDGD-UHFFFAOYSA-N
-rxn:3:64902:9334:67726,N#Cc1cc2c(nc1SCc1cn(CC3CC(=O)N(c4ccncc4C(=O)NCC(F)(F)C4CC4)C3)nn1)CCCCC2,LWACVCJRCAEITB-UHFFFAOYSA-N
-rxn:3:64921:6385:69013,Cc1nccc(-c2cn(CC3CC(=O)N(c4cnccc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)n1,JFNGNQPZICLWEE-UHFFFAOYSA-N
-rxn:3:64921:6590:67806,N#Cc1c(C2CCC2)nn2ccn(Cc3cn(CC4CC(=O)N(c5cnccc5C(=O)N[C@@H]5CCCC(F)(F)C5)C4)nn3)c12,HDCQFVXDFBYOHU-VGAJERRHSA-N
-rxn:3:64921:6595:67806,N#Cc1c(C2CC2)nn2ccn(Cc3cn(CC4CC(=O)N(c5cnccc5C(=O)N[C@@H]5CCCC(F)(F)C5)C4)nn3)c12,KJOBPECXCMLIEQ-ROPPNANJSA-N
-rxn:3:64921:7001:69013,N#Cc1cccnc1-c1cn(CC2CC(=O)N(c3cnccc3C(=O)NC3(C4CCS(=O)(=O)C4)CCCCC3)C2)nn1,APSMUNNHFFOOAM-UHFFFAOYSA-N
-rxn:3:64921:7663:69013,CC(C)c1nccc(-c2cn(CC3CC(=O)N(c4cnccc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)n1,GHCTXUPAUJVCKM-UHFFFAOYSA-N
-rxn:3:64954:1890:69013,CSc1nccc(-c2cn(CC3CC(=O)N(c4cnc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)n1,FYYYZTLBTMSZBT-UHFFFAOYSA-N
-rxn:3:64954:1920:66755,CSc1ncnc2c(-c3cn(CC4CC(=O)N(c5cnc(C(=O)NCC(C)C6CCC(F)(F)CC6)cn5)C4)nn3)csc12,KFFHWJZRKRCGDF-UHFFFAOYSA-N
-rxn:3:64954:2529:69013,Cc1cc(F)ncc1-c1cn(CC2CC(=O)N(c3cnc(C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)cn3)C2)nn1,ZEGBUBQIDJOYPQ-UHFFFAOYSA-N
-rxn:3:64954:7049:69013,O=C(NC1(C2CCS(=O)(=O)C2)CCCCC1)c1cnc(N2CC(Cn3cc(-c4cccnc4N4CCCCCC4)nn3)CC2=O)cn1,QOWDLVPGUFQTQN-UHFFFAOYSA-N
-rxn:3:64961:1179:69013,Cn1cccc1-c1cn(CC2CC(=O)N(c3ncc(C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)cn3)C2)nn1,WSNAIFAKWQWVMX-UHFFFAOYSA-N
-rxn:3:64961:179:66355,Cc1cnc(F)c(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)cn4)C3)nn2)c1,HOWMQXFEMPTZKZ-UHFFFAOYSA-N
-rxn:3:64961:1920:69871,CSc1ncnc2c(-c3cn(CC4CC(=O)N(c5ncc(C(=O)NC(C)CC6CCC(F)(F)CC6)cn5)C4)nn3)csc12,ZCGHRXGEQMSEGN-UHFFFAOYSA-N
-rxn:3:64961:2199:69013,Cc1ccc(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)nn1,GPSSTKDMQBFLCQ-UHFFFAOYSA-N
-rxn:3:64961:2508:69013,Cc1nc(F)ccc1-c1cn(CC2CC(=O)N(c3ncc(C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)cn3)C2)nn1,CHIDTJXCFHOASV-UHFFFAOYSA-N
-rxn:3:64961:2542:69013,Cc1cc(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)cnc1F,VCPNBNPHIYQEPL-UHFFFAOYSA-N
-rxn:3:64961:254:69013,Cc1cccc(Cc2cn(CC3CC(=O)N(c4ncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)n1,LUARLASYHOMNCM-UHFFFAOYSA-N
-rxn:3:64961:2666:69013,Cc1ncncc1-c1cn(CC2CC(=O)N(c3ncc(C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)cn3)C2)nn1,XCLGPBWXZDLQRR-UHFFFAOYSA-N
-rxn:3:64961:2946:69013,CCn1cncc1-c1cn(CC2CC(=O)N(c3ncc(C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)cn3)C2)nn1,FMNMEHAKBYEMND-UHFFFAOYSA-N
-rxn:3:64961:338:69013,Cc1ccnc(Cc2cn(CC3CC(=O)N(c4ncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)c1,GEYDCQIYABDSLH-UHFFFAOYSA-N
-rxn:3:64961:6378:69013,CCc1cc(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)ncn1,ZMDYWUSPLKFSAZ-UHFFFAOYSA-N
-rxn:3:64961:6389:69013,CCc1cnc(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)nc1,FHZXNIYCKKQJEU-UHFFFAOYSA-N
-rxn:3:64961:6595:67806,N#Cc1c(C2CC2)nn2ccn(Cc3cn(CC4CC(=O)N(c5ncc(C(=O)N[C@@H]6CCCC(F)(F)C6)cn5)C4)nn3)c12,SVLOWIVPHPCFGI-UUSAFJCLSA-N
-rxn:3:64961:7452:66355,Cc1ccc(F)c(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)cn4)C3)nn2)n1,GTMPFTZFLNAVTD-UHFFFAOYSA-N
-rxn:3:64961:7660:66355,N#Cc1ccncc1-c1cn(CC2CC(=O)N(c3ncc(C(=O)NC4CCC5(CC4)CS(=O)(=O)C5)cn3)C2)nn1,UDRZOBSXZNYKSD-UHFFFAOYSA-N
-rxn:3:64961:9306:69013,Cn1cc(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)cn1,NHONEJMBJVWDEQ-UHFFFAOYSA-N
-rxn:3:64961:9309:69013,CCn1cc(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)cn1,CWNBMYCZVOSAAJ-UHFFFAOYSA-N
-rxn:3:64994:2199:69013,Cc1ccc(-c2cn(CC3CC(=O)N(c4ncccc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)nn1,WPLNMTZFZWDDRG-UHFFFAOYSA-N
-rxn:3:64994:395:70016,Cc1c(-c2cn(CC3CC(=O)N(c4ncccc4C(=O)NCCOC4CCS(=O)(=O)CC4)C3)nn2)ccc2nccn12,LEDMZOMAIZTHBU-UHFFFAOYSA-N
-rxn:3:64994:6389:69013,CCc1cnc(-c2cn(CC3CC(=O)N(c4ncccc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)nc1,OITQTYADKUJTJN-UHFFFAOYSA-N
-rxn:3:64994:6590:66152,N#Cc1c(C2CCC2)nn2ccn(Cc3cn(CC4CC(=O)N(c5ncccc5C(=O)NC5CCC(F)(F)C5)C4)nn3)c12,VATUMXLUNXKUAR-UHFFFAOYSA-N
-rxn:3:64994:9306:69013,Cn1cc(-c2cn(CC3CC(=O)N(c4ncccc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)cn1,PARXBNAJZWSIAP-UHFFFAOYSA-N
-rxn:3:65003:1079:69013,Cc1cnccc1-c1cn(CC2CC(=O)N(c3ncncc3C(=O)NC3(C4CCS(=O)(=O)C4)CCCCC3)C2)nn1,KLFORLIRWONILH-UHFFFAOYSA-N
-rxn:3:65003:2530:69013,Cc1ncccc1-c1cn(CC2CC(=O)N(c3ncncc3C(=O)NC3(C4CCS(=O)(=O)C4)CCCCC3)C2)nn1,JPYYILVWGTVTII-UHFFFAOYSA-N
-rxn:3:65003:3617:69013,N#Cc1cccn1Cc1cn(CC2CC(=O)N(c3ncncc3C(=O)NC3(C4CCS(=O)(=O)C4)CCCCC3)C2)nn1,QXPWNYOIUJKZHD-UHFFFAOYSA-N
-rxn:3:65003:395:66355,Cc1c(-c2cn(CC3CC(=O)N(c4ncncc4C(=O)NC4CCC5(CC4)CS(=O)(=O)C5)C3)nn2)ccc2nccn12,SHCGEOJFCYBWPE-UHFFFAOYSA-N
-rxn:3:65003:6136:68265,CCn1ncc(-c2cn(CC3CC(=O)N(c4ncncc4C(=O)NCC4(F)CCS(=O)(=O)C4)C3)nn2)c1C1CCC1,TWBQVMNKPFGWRA-UHFFFAOYSA-N
-rxn:3:65003:6449:69013,C=CCCn1cc(-c2cn(CC3CC(=O)N(c4ncncc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)cn1,PBQCLHGOLASNQA-UHFFFAOYSA-N
-rxn:3:65003:6494:69013,N#CCn1cc(-c2cn(CC3CC(=O)N(c4ncncc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)cn1,OZTVMTCPDDNULV-UHFFFAOYSA-N
-rxn:3:65003:6590:66152,N#Cc1c(C2CCC2)nn2ccn(Cc3cn(CC4CC(=O)N(c5ncncc5C(=O)NC5CCC(F)(F)C5)C4)nn3)c12,RJJHWFPWMQZFRD-UHFFFAOYSA-N
-rxn:3:65003:6595:67806,N#Cc1c(C2CC2)nn2ccn(Cc3cn(CC4CC(=O)N(c5ncncc5C(=O)N[C@@H]5CCCC(F)(F)C5)C4)nn3)c12,UUHRRSNEAXFUJB-WHCXFUJUSA-N
-rxn:3:65364:17887:69106,CCCc1ccnc(-n2nccc2-c2cn(CC3CC(=O)N(c4cccnc4C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)C3)nn2)c1,HSOHVSDSCSKPCQ-UHFFFAOYSA-N
-rxn:3:65401:1156:69013,CCn1ccnc1-c1cn(CC2CC(=O)N(c3cncc(C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)n3)C2)nn1,NHKHVJWNIDCTBH-UHFFFAOYSA-N
-rxn:3:65401:2530:69013,Cc1ncccc1-c1cn(CC2CC(=O)N(c3cncc(C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)n3)C2)nn1,LLXYKXFZMOBZHL-UHFFFAOYSA-N
-rxn:3:65401:2542:69013,Cc1cc(-c2cn(CC3CC(=O)N(c4cncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)n4)C3)nn2)cnc1F,LHPGKFVZWHROEI-UHFFFAOYSA-N
-rxn:3:65401:2928:69013,Cc1cccc(F)c1-c1cn(CC2CC(=O)N(c3cncc(C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)n3)C2)nn1,GFVATSWAXAPJOE-UHFFFAOYSA-N
-rxn:3:65401:3295:69013,CCn1cnc(-c2cn(CC3CC(=O)N(c4cncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)n4)C3)nn2)c1,UKMBTCQCAXPEKJ-UHFFFAOYSA-N
-rxn:3:65401:3396:69013,CC(C)n1ccnc1-c1cn(CC2CC(=O)N(c3cncc(C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)n3)C2)nn1,VRQNFXHXBDXQKI-UHFFFAOYSA-N
-rxn:3:65401:3694:69013,O=C(NC1(C2CCS(=O)(=O)C2)CCCCC1)c1cncc(N2CC(Cn3cc(-c4cnn(C5CC5)c4)nn3)CC2=O)n1,WXMLLARPOWTMSY-UHFFFAOYSA-N
-rxn:3:65401:465:69013,Cc1ccnc(-c2cn(CC3CC(=O)N(c4cncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)n4)C3)nn2)c1,ATSKSCSWFSEOGD-UHFFFAOYSA-N
-rxn:3:65401:522:69013,Cc1cc(F)ccc1-c1cn(CC2CC(=O)N(c3cncc(C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)n3)C2)nn1,AFWCXRQYDHUPLQ-UHFFFAOYSA-N
-rxn:3:65401:6136:68265,CCn1ncc(-c2cn(CC3CC(=O)N(c4cncc(C(=O)NCC5(F)CCS(=O)(=O)C5)n4)C3)nn2)c1C1CCC1,VSJYCAZHCNGPKO-UHFFFAOYSA-N
-rxn:3:65401:6385:69013,Cc1nccc(-c2cn(CC3CC(=O)N(c4cncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)n4)C3)nn2)n1,NPBSQLHUYQNMST-UHFFFAOYSA-N
-rxn:3:65401:6450:66355,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(c4cncc(C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)n4)C3)nn2)cn1,NNXJPGQTUBJKEE-UHFFFAOYSA-N
-rxn:3:65401:6590:67806,N#Cc1c(C2CCC2)nn2ccn(Cc3cn(CC4CC(=O)N(c5cncc(C(=O)N[C@@H]6CCCC(F)(F)C6)n5)C4)nn3)c12,GPKJXFHSAIELLQ-ROPPNANJSA-N
-rxn:3:65401:7075:69013,CN1CCN(c2ncccc2-c2cn(CC3CC(=O)N(c4cncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)n4)C3)nn2)CC1,XEGGTQSZFUGZES-UHFFFAOYSA-N
-rxn:3:65401:7663:69013,CC(C)c1nccc(-c2cn(CC3CC(=O)N(c4cncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)n4)C3)nn2)n1,JRHBQQBOHFJQDE-UHFFFAOYSA-N
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-rxn:3:6872:49115:113048,COC(Cn1cc(Cn2ccc(-c3cnccn3)n2)nn1)C(=O)NCC1CCOC12CCS(=O)(=O)CC2,CXGPPUOGIPWPMB-UHFFFAOYSA-N
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-rxn:3:709:56432:130191,CC=Cc1cn(CC2CC2c2ccc(F)c(CC(=O)NCSC3CCCCC3)c2)nn1,QWRLBRFASNXBIN-UHFFFAOYSA-N
-rxn:3:7196:51060:113048,COc1cc(C2C(Cn3cc(-c4ccn5nccc5n4)nn3)C2(F)F)ccc1C(=O)NCC1CCOC12CCS(=O)(=O)CC2,KMFOZYQEFBZZOR-UHFFFAOYSA-N
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-rxn:3:7075:59852:83497,CCS(=O)(=O)c1ccsc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccnc4N4CCN(C)CC4)nn3)C2)CCO1,WMRAWIOBZLAJOD-QQMHWKEJSA-N
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-rxn:2:102399:146079,Cc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1C(C)NC1CCC(S(=O)(=O)C2CCCC2)CC1,JJOJFZREKKYLMD-UHFFFAOYSA-N
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-rxn:2:108183:160854,CC(C)CCn1c2c(cc(C(C)NCC(C)CSc3nccn3C)c1=O)CN(C)CC2,YEOMFSUBESZQJC-UHFFFAOYSA-N
-rxn:2:108245:141059,Cc1ccccc1CCC(NCC1CC[Si](C)(C)CC1)C1CCCCC1,IIKCVBQZKWRYNZ-UHFFFAOYSA-N
-rxn:2:108372:67851,CC(c1cccc(NC2CCC(Cc3ccc4c(c3)CCCS4)CC2)c1)N(C)CC1CC1,FZNCXOVFNYVUKC-UHFFFAOYSA-N
-rxn:2:108469:164430,CCCCn1ncc(-c2ccc(C)c(C)c2)c(C(C)Nc2cccnc2N2CCC(C)(COC)CC2)c1=O,BJYFQEMMSFSIJO-UHFFFAOYSA-N
-rxn:2:108647:147883,CON(C)Cc1cc(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)cc2c1OCOC2,PWTVRUIGGPOVEH-UHFFFAOYSA-N
-rxn:2:108806:144936,COc1ccc(C(NCC2CCC3(CCS(=O)(=O)CC3)O2)c2cnc(/N=C/N(C)C)s2)cc1,ASHKANWYYVWMAI-WGOQTCKBSA-N
-rxn:2:108806:151346,COc1ccc(C(NCC2CCC3(CCS(=O)(=O)CC3)O2)c2cnc(N=CN(C)C)s2)cc1,ASHKANWYYVWMAI-UHFFFAOYSA-N
-rxn:2:109100:124544,CCCN(C)CCC(C)NCC1C(F)(F)C12CCCC2,XVRNJSLPMPOKPW-UHFFFAOYSA-N
-rxn:2:109523:132367,COC1C(C)C(NC(c2ccc(C(C)(C)C)cc2C)C2CCCC2)C12CCC2,IKHCCJGXIUMCEO-UHFFFAOYSA-N
-rxn:2:110440:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCS(=O)(=O)C1CCOCC1,JSTQRRKGYNQSOI-UHFFFAOYSA-N
-rxn:2:110440:150092,CC(NCCS(=O)(=O)C1CCOCC1)c1cnc(-c2ccc(OC3CCOCC3)nc2)cn1,ZSVWILUZAHUMTN-UHFFFAOYSA-N
-rxn:2:110440:150881,CC(NCCS(=O)(=O)C1CCOCC1)c1cc(-c2ccc(OC3CCOCC3)nc2)ccn1,YXOXLPCVDJYGMS-UHFFFAOYSA-N
-rxn:2:110687:166193,COCCn1cc(-c2ccc(C(C)Nc3cccn(C4CCN(C5CC5)CC4)c3=O)c3c2OCO3)cn1,FPGYSTBIXDTMJW-UHFFFAOYSA-N
-rxn:2:111106:147883,COCC1CN(c2ccc(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)cn2)CC1C,PNALZCMQLOKRLP-UHFFFAOYSA-N
-rxn:2:111538:144850,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1csc(-c2cnc(N3CCOCC3)nc2)c1,SUTQJBPJFDZSIW-KTDGPJBASA-N
-rxn:2:111538:145413,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1cccc(-c2ccc(N3CCN(C)CC3)nc2)n1,DRKWOUXKRMLROJ-AYCAFKJYSA-N
-rxn:2:111538:145532,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1csc(-c2ccnc(N3CCOCC3)c2)c1,RBUHRBMDTWNKOK-VBHDRNNKSA-N
-rxn:2:111538:147360,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1ncccc1-c1cnc(N2CCOCC2)nc1,HLJRUSRRBGGCRX-YGXOWLSWSA-N
-rxn:2:111538:151487,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1sccc1-c1cnc(N2CCOCC2)nc1,QPHXMVCOMQQQSS-DNLFPKPLSA-N
-rxn:2:111538:152792,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1ccccc1-c1cnc(N2CCOCC2)s1,LOSPDKKWWNOPGX-ZNUUHSPMSA-N
-rxn:2:111538:152826,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1cc(-c2ccnc(N3CCOCC3)c2)cs1,QVVTXOQBGHQDFV-VBHDRNNKSA-N
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-rxn:2:111538:162854,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1ccc(-c2ccc(N3CCN(C)CC3)nc2)cn1,SLWXUUSVKSDPFX-ZIQGHWNSSA-N
-rxn:2:111538:163868,Cc1c(C(N[C@H]2CC[C@H](OS(C)(=O)=O)CC2)C2CC2)cnc2cc3c(cc12)OCO3,NVOIIJYHBTYDGC-STFKQGPRSA-N
-rxn:2:111645:149333,CCN1CCN(c2ccc(NC(C)c3ccc(-c4ccc(N5CCCC5)nc4)cc3OC)cc2OC)CC1,HSJQZCHRBZLMED-UHFFFAOYSA-N
-rxn:2:112062:152317,CC(NCC1CCCN(C2CC2)C1c1ccnn1C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2,DFEFEZXQMWTJAZ-UHFFFAOYSA-N
-rxn:2:113378:153461,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1nc(N(C)C)sc1-c1ccccn1,PAFFAHTWQVVTKA-UHFFFAOYSA-N
-rxn:2:113378:153569,Cc1nc2ccc(-c3ccc4c(c3)C(NOCC3CCN(C5CCS(=O)(=O)C5)CC3)CO4)cc2o1,FMZZFHIJMVVLKP-UHFFFAOYSA-N
-rxn:2:113378:154710,CN(C)c1ncc(-c2ccc3c(c2)C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CCS3)cn1,YDFUNSUDXUXLAP-UHFFFAOYSA-N
-rxn:2:113378:155977,Cc1ccc(-c2ccc3c(c2)C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CO3)o1,PPIIXYCGUKFMGY-UHFFFAOYSA-N
-rxn:2:113378:157781,CN(C)c1cccc(-c2ccc3c(c2)C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CC3)n1,VTWCRCFVSQDJDF-UHFFFAOYSA-N
-rxn:2:113378:159074,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1sccc1-c1csc(N2CCOCC2)n1,JOLMQDVPBUHUAK-UHFFFAOYSA-N
-rxn:2:113378:166572,CN(C)c1ncc(-c2cccc3c2C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CC3)cn1,XSWQYNATNCYHLV-UHFFFAOYSA-N
-rxn:2:113378:170597,Cc1nc2cc(-c3ccc4c(c3)C(NOCC3CCN(C5CCS(=O)(=O)C5)CC3)CCS4)ccc2o1,YISUNSCAQFYJQH-UHFFFAOYSA-N
-rxn:2:113378:172617,Cc1cc(-c2ccc3occc3c2)c2c(c1)C(NOCC1CCN(C3CCS(=O)(=O)C3)CC1)CCO2,YUDKZYJHXRXJMK-UHFFFAOYSA-N
-rxn:2:113725:161224,CCn1ccnc1N1CCCN(CCNC(c2c[nH]c(C(=O)/N=C/N(C)C)c2)c2ccccc2C)CC1,QMHABJJXFBTYTR-RUMWWMSVSA-N
-rxn:2:115633:142152,CCC(C)(CNC1c2ccccc2CC12CCOCC2)OC1CCCCC1,QBNVJRIUXYXCTN-UHFFFAOYSA-N
-rxn:2:116990:154206,CCC(NC(C)c1cc2cc(-c3ccc(OC)cc3)ccc2oc1=O)C(C)N(C)C1CCCN(C)C1,JDANZQQRHFGYSI-UHFFFAOYSA-N
-rxn:2:117849:164678,COc1cc(CNC2CCC(OS(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC1CCOCC1,DTJJKYMRRXHJBW-UHFFFAOYSA-N
-rxn:2:117881:152052,Cc1c(-c2ccnc(N3CCOCC3)c2)cccc1C(C)Nc1cnn(CC2(CS(C)(=O)=O)CCC2)c1,XLFJKSALGFYUOE-UHFFFAOYSA-N
-rxn:2:118776:121416,CN(CC1(CNC(CSc2nccn2C)c2ccc[nH]2)COC1)C1CCS(=O)(=O)C1,URJYKQPNJWFPEU-UHFFFAOYSA-N
-rxn:2:118776:131453,CN(CC1(CNC(c2cccs2)c2cc3c(s2)CCCC3)COC1)C1CCS(=O)(=O)C1,XOSZCMJSZUMVCT-UHFFFAOYSA-N
-rxn:2:118776:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(CN(C)C2CCS(=O)(=O)C2)COC1,DZXJWZYXVYXHPH-UHFFFAOYSA-N
-rxn:2:118776:149021,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1sccc1-c1cc(N2CCOCC2)ncn1,IMHQCIDGSMJVEZ-UHFFFAOYSA-N
-rxn:2:118776:149788,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1cccc(-c2ccnc(N3CCOCC3)c2)n1,WSLUMPVFVGSOJA-UHFFFAOYSA-N
-rxn:2:118776:150267,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1cccc(-c2ccc(N3CCOCC3)nc2)n1,WZZBMDLZFQWIEL-UHFFFAOYSA-N
-rxn:2:118776:150881,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1cc(-c2ccc(OC3CCOCC3)nc2)ccn1,GZGDBWRKEWSDLP-UHFFFAOYSA-N
-rxn:2:118776:151487,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1sccc1-c1cnc(N2CCOCC2)nc1,CZLSBMCLKNLLCH-UHFFFAOYSA-N
-rxn:2:118776:158917,CN(CC1(CNC(c2ccc(-c3cnn(C4CCOC4)c3)cc2)C2CC2)COC1)C1CCS(=O)(=O)C1,DRBPZQSJXLAUEL-UHFFFAOYSA-N
-rxn:2:118776:159074,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1sccc1-c1csc(N2CCOCC2)n1,VCGIOASHARLEBT-UHFFFAOYSA-N
-rxn:2:118776:159310,CN(CC1(CNC(c2ccc(-c3cnn(C4CCOCC4)c3)cc2)C2CC2)COC1)C1CCS(=O)(=O)C1,KPFMHDJQKYTJBT-UHFFFAOYSA-N
-rxn:2:118776:159711,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1ccc(-c2ccnc(N3CCOCC3)c2)cn1,OPHOEYBHCSFCBP-UHFFFAOYSA-N
-rxn:2:118776:161032,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1sccc1-c1ccnc(N2CCCC2)n1,NHZMWCBLECRRJR-UHFFFAOYSA-N
-rxn:2:118776:164299,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1csc(-c2ccc(N3CCOCC3)nc2)c1,QCKHFCPAUGJNRW-UHFFFAOYSA-N
-rxn:2:118776:167757,CN(CC1(CNC2CCSc3ccc(-c4ccn(C5COC5)n4)cc32)COC1)C1CCS(=O)(=O)C1,ZEYMPOIBCZFWRN-UHFFFAOYSA-N
-rxn:2:118779:147883,COCc1cc(N2CCC(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)CC2)ncn1,UJMIVKCFLXTDRN-UHFFFAOYSA-N
-rxn:2:118948:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2c3c(nn2C2CCCCN2C)CC2CC32)cn1,UJUKQEWXMSTJOS-UHFFFAOYSA-N
-rxn:2:119490:167576,CCC1CCCN1C1CCCCCC1NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,CGJIXEORPBACMP-UHFFFAOYSA-N
-rxn:2:120307:120702,CC(C)C1C(F)(F)C12CCC(NCCCN(C)C1CCN(C)CC1)CC2,CVQFUWONZADEAJ-UHFFFAOYSA-N
-rxn:2:120827:89634,Cc1ccc(NC(CN2CCCOCC2)c2ccc(C)c(C)c2)c(S(=O)(=O)C2CCCC2)c1,KXPVVOYXHNWLSL-UHFFFAOYSA-N
-rxn:2:122593:134320,CC(COCC1CCCCC1)NC1CCCCc2ccc(C(C)(C)C)cc21,SCKQURMJBXDRAE-UHFFFAOYSA-N
-rxn:2:122756:121648,Cc1ccccc1C(COCC1CCOCC1)NC1CC[Si](C)(C)CC1,GJPXEJOTAUFBMK-UHFFFAOYSA-N
-rxn:2:123038:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1ccc(C(F)C2CCCN(C)C2)cc1,CPVPCKNVOOJFIN-UHFFFAOYSA-N
-rxn:2:123233:147883,COC1CCN(c2cccc(CNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)c2)CC1,FKUIWKYGGVAZRO-UHFFFAOYSA-N
-rxn:2:123712:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2c(C3CCC3)c(C3CCC3)nn2C2CCC2)cn1,ZZJNSMANVUFWOU-UHFFFAOYSA-N
-rxn:2:123783:144920,COC1CCN(C(C)CCNC(C)c2c(-c3cccc(OC(C)C)c3)cn[nH]c2=O)CC1,XVICNBRFSMGJDA-UHFFFAOYSA-N
-rxn:2:124302:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC(C2CC2)N(C)C2CCCCC2)cn1,LNAAMNZCLOLBKU-UHFFFAOYSA-N
-rxn:2:124419:143973,CN1CCC(N(C)c2cc(NC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)ncn2)CC1,KPELKABUEMKACM-UHFFFAOYSA-N
-rxn:2:124938:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCc1csc(C2(S(C)(=O)=O)CCC2)n1,OXILJVIHRRCRHU-UHFFFAOYSA-N
-rxn:2:125337:156087,COc1ccc2c(c1)CN(C)CCN2CCCNC(C)c1csc(-c2cnc(N3CCCCC3)nc2)c1,YDYHCIFXLWHPHD-UHFFFAOYSA-N
-rxn:2:125616:166041,COc1cccc(N(C)CC2CCCC(NC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)C2)c1,JAQDURQTVNEIJM-UHFFFAOYSA-N
-rxn:2:125722:148780,CCc1ccc(N2CCC(OC)CC2)c(NC(C)c2ncc(-c3ccccc3CN3CCOCC3)cn2)c1,NAVLCPOPFKNDCQ-UHFFFAOYSA-N
-rxn:2:125722:151898,CCc1ccc(N2CCC(OC)CC2)c(NC(C)c2ccnc(-c3ccccc3CN3CCOCC3)c2)c1,KRWROQXLPJXORD-UHFFFAOYSA-N
-rxn:2:125722:162246,CCc1ccc(N2CCC(OC)CC2)c(NC2COc3cc(-c4ccc(N5CCOCC5)nc4)ccc32)c1,DNEAQFTULMEWOV-UHFFFAOYSA-N
-rxn:2:126076:120702,CC(C)C1C(F)(F)C12CCC(NC1CCC(C(c3cccnc3)N(C)C)CC1)CC2,CCHPXGYSWADUFJ-UHFFFAOYSA-N
-rxn:2:126076:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC1CCC(C(c2cccnc2)N(C)C)CC1,GBBLVCRDAOQSDS-UHFFFAOYSA-N
-rxn:2:126835:153696,CCCC(NCC(C)(COC)N1CCCCC1C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,FDINWXTZEZDVPO-UHFFFAOYSA-N
-rxn:2:126871:155971,CCCn1c2c(cc(C(C)NC(C)c3ccnc(-c4ccnc(N5CCN(C)CC5)c4)c3)c1=O)CCCC2,FBBYGSJSYSIVAS-UHFFFAOYSA-N
-rxn:2:127196:103354,CCC1CCC(c2ccc(CNC3CC(C)(C)CC4(CC4)C3)cc2)CC1,MIUQRGWCTWXPKW-UHFFFAOYSA-N
-rxn:2:127489:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC1(CN(C)Cc2cccs2)CCCCC1,ATHAASKRAYBXDK-UHFFFAOYSA-N
-rxn:2:127783:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CN(CCC3CN(C)C3)CCS2)cn1,KYIGCTMRVXTNGW-UHFFFAOYSA-N
-rxn:2:129222:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCN(c3ccc(C4CCOCC4)nn3)C2)cn1,NTMMXYWYEOLVFU-UHFFFAOYSA-N
-rxn:2:129482:166857,Cc1ccc(C(CSc2n[nH]c(=O)[nH]c2=O)NCC(CC2CCCC2)C2CCS(=O)(=O)C2)cc1,USYOHBQVIMMDHJ-UHFFFAOYSA-N
-rxn:2:130687:126124,CCC(NCCC1CC1c1cccc(S(C)(=O)=O)c1)C1CCCCN1C1CC1,GHFHICIDQYCMLY-UHFFFAOYSA-N
-rxn:2:131493:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2c3c(nn2C2CCN(C)CC2)CC2CC32)cn1,RCTQNAUHAXYAHJ-UHFFFAOYSA-N
-rxn:2:131811:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1cccc(N2CCC(N(C)C)CC2)c1,WOXYGNMHRVISDL-UHFFFAOYSA-N
-rxn:2:132297:153696,CCCC(NC(CC(C)C)CN1CCN(C)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,KNWGFLGBOGEBIG-UHFFFAOYSA-N
-rxn:2:132337:153696,CCCC(NCCC1CN(C)CCN1CC(C)C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,HQSFNMWSSYZIAY-UHFFFAOYSA-N
-rxn:2:132608:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2c(C3CCC3)c(C3CC3)nn2C2CCC2)cn1,MZZFHYNRKSNUKP-UHFFFAOYSA-N
-rxn:2:133288:160431,COc1ccc(C(NC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)C2CC2)c(C)c1,SBLMLKXGYIAVCK-UHFFFAOYSA-N
-rxn:2:134041:140202,CC(NC1CCC(OCC2CCCO2)CC1)c1ccc(OS(C)(=O)=O)cc1,AFSRJIDDDNKSBS-UHFFFAOYSA-N
-rxn:2:134161:144085,CCN1CCc2c(cc(C(C)NCC3CCCN(c4ncccc4C)C3)c(=O)n2C2CC2)C1,MLDRBBUEWWNKNG-UHFFFAOYSA-N
-rxn:2:134302:147883,CCOCC1CCN(c2ncccc2NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)C1,MILPHXONSIWVSH-UHFFFAOYSA-N
-rxn:2:135027:167616,CCN1CCC(N(C)c2ccc(C)cc2NC(C)c2cc(OC)ccc2-c2ccc(OC(C)C)nc2)CC1,STCXVJMBXVZFTB-UHFFFAOYSA-N
-rxn:2:135039:155971,CC(C)CCn1c2c(cc(C(C)NC(C)c3ccnc(-c4ccnc(N5CCN(C)CC5)c4)c3)c1=O)CCC2,LTZRWFXXOMXUBH-UHFFFAOYSA-N
-rxn:2:135536:160431,COc1cc(CNC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)ccc1OC1COC1,HDEQOYNGCUIWMB-UHFFFAOYSA-N
-rxn:2:135536:164678,COc1cc(CNC2CCC(OS(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC1COC1,OZUBVGFAMMBILN-UHFFFAOYSA-N
-rxn:2:136178:108558,CC(=O)c1cncc(CCCSC(C)NCC#Cc2cnn(CC3CC(C)(C)C3)c2)c1,KLTAEUYMRVTCHU-UHFFFAOYSA-N
-rxn:2:136726:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)Cc2cscn2)CCCCC1,WWRIPVNRKSUWMP-UHFFFAOYSA-N
-rxn:2:138126:91160,CN(C)CCN(C)C1CCC(NCC(F)(F)CN2CCCSCC2)CC1,ZRUHBUBFZOHHSF-UHFFFAOYSA-N
-rxn:2:138351:154710,CN(C)c1ncc(-c2ccc3c(c2)C(NCC2CCN(C4CCS(=O)(=O)C4)CC2)CCS3)cn1,ZYAXBSLWOYOGKB-UHFFFAOYSA-N
-rxn:2:138351:166572,CN(C)c1ncc(-c2cccc3c2C(NCC2CCN(C4CCS(=O)(=O)C4)CC2)CC3)cn1,NMKXIISCNVICRD-UHFFFAOYSA-N
-rxn:2:138351:170110,Cc1nc2ccc(-c3ccc4c(c3)C(NCC3CCN(C5CCS(=O)(=O)C5)CC3)CCS4)cc2o1,VMDGBYKHJRAHMK-UHFFFAOYSA-N
-rxn:2:139006:160431,COc1cc(OC2COC2)ccc1NC1CCCCCC1OS(=O)(=O)c1ccc(C)cc1,OWZWZSPMUWEFNC-UHFFFAOYSA-N
-rxn:2:140297:164678,COc1cc(OCC2CCCC2)ccc1NC1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1,MRSOUKBOLSFQFG-UHFFFAOYSA-N
-rxn:2:140318:151922,COc1ccc(C(C)NC2CCCCC2OS(C)(=O)=O)cc1-c1cccc(OC2CC2)n1,VPHAXKURCVNTHY-UHFFFAOYSA-N
-rxn:2:140318:169261,COc1ccc(C2CC(NC3CCCCC3OS(C)(=O)=O)c3c(C)cc(C)cc3O2)cc1,UNEXJSWRCSFADI-UHFFFAOYSA-N
-rxn:2:140362:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3N[C@@H]2CCCC[C@H]2N2CCN(C)CC2)cn1,ILKYZNHUWJLWNP-OPWSDZRHSA-N
-rxn:2:140701:163337,CCOc1ccccc1-c1cc(C(C)NCC2(N(C)CC3CC3)CCCCCCC2)c(=O)[nH]n1,QNFBAODQLXXVLT-UHFFFAOYSA-N
-rxn:2:141270:155971,CC(C)Cn1c2c(cc(C(C)NC(C)c3ccnc(-c4ccnc(N5CCN(C)CC5)c4)c3)c1=O)CCC2,KYAUUPDARKSWGB-UHFFFAOYSA-N
-rxn:2:141372:136378,COc1ccc(C2(NC3CCN(CCOS(C)(=O)=O)CC3)COC2)cc1C(C)C,PBFJRJDHWSSZSM-UHFFFAOYSA-N
-rxn:2:142002:153696,CCCC(NCCCC(C)N1CCCN(C)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,GZKBIPDDQMKNFK-UHFFFAOYSA-N
-rxn:2:142064:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2(N3CCCN(C)CC3)CCSC2)cn1,LGWJAUZODOVAIF-UHFFFAOYSA-N
-rxn:2:142213:147749,CCOc1ccc2ccccc2c1C(CN1CCCCC1)Nc1cnc(N2CCC(OC)CC2)nc1,BOQVYQULAYEGRL-UHFFFAOYSA-N
-rxn:2:142369:144085,CCN1CCc2c(cc(C(C)NCc3c(C)nn4ccn(C5CCCC5)c34)c(=O)n2C2CC2)C1,DMLPFQIHPVYDEH-UHFFFAOYSA-N
-rxn:2:146505:167512,CC(NC1CCCC1N(C)c1ccc2c(c1)ncn2C)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,ILEDOTPTMPXKOG-UHFFFAOYSA-N
-rxn:2:147472:136378,CC(C)c1cc2nc(C3CCOC3)cc(NC3CCN(CCOS(C)(=O)=O)CC3)n2n1,DLGGIFPEKLFNPD-UHFFFAOYSA-N
-rxn:2:149799:144085,CCN1CCc2c(cc(C(C)NCc3cnc4ccc(C5CCCN(C)C5)nn34)c(=O)n2C2CC2)C1,PFYLWMLWLQBDFV-UHFFFAOYSA-N
-rxn:2:156275:144085,CCN1CCc2c(cc(C(C)NC3CCCC3N(C)c3ccc4[nH]c(C)nc4c3)c(=O)n2C2CC2)C1,SUSFSRXRJJAUMY-UHFFFAOYSA-N
-rxn:2:161893:87087,CCC(Nn1ccc2nc(N3CCOCC3)ncc2c1=O)c1cnc(N2CCN(C(C)C)CC2)cc1C,VSFADOLNEFESPY-UHFFFAOYSA-N
-rxn:2:65895:154594,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NCCC3CCSC4(CCCN(C)C4)C3)nc2)cn1,DEHXEECHGQGSGQ-UHFFFAOYSA-N
-rxn:2:66038:93754,CC1CC(NC2CCC(OS(C)(=O)=O)CC2)c2cc3c(cc2O1)OCO3,LVXMUVLOINJIJV-UHFFFAOYSA-N
-rxn:2:66090:95209,CC(C1CC1)N(C)C1(CNC2CCC23CC(F)(F)C3)CCSC1,BDMBKTYBWJDAKN-UHFFFAOYSA-N
-rxn:2:66969:127110,CCC(N[C@@H](c1ccc2c(c1)OCO2)C1CCCCC1)C1CCCCC1,QHVVPXQSMMNICI-GWQXNCQPSA-N
-rxn:2:67078:147883,COC1CCN(CCn2cccc(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)c2=O)C1,ZITUBKFXSZSIHC-UHFFFAOYSA-N
-rxn:2:67474:83263,CCC1C(F)(F)C12CCC(NC1CCN(CCCCN(C)C)C(C)C1)CC2,PEYMSXDAJQKGTN-UHFFFAOYSA-N
-rxn:2:67474:86839,CCC1C(F)(F)C12CCC(NC(C)CCN(C)C1CCN(C)CC1)CC2,MNVXRTWVJZUOAG-UHFFFAOYSA-N
-rxn:2:68476:148020,Cc1cc(S(C)(=O)=O)ccc1-c1cccnc1C(C)Nc1c(C2CC2)c(C2CC2)nn1C1CCOCC1,YJHTXQOPRNZCON-UHFFFAOYSA-N
-rxn:2:68476:156762,Cc1cc(-c2ccc(S(C)(=O)=O)nc2)ccc1C(C)Nc1c(C2CC2)c(C2CC2)nn1C1CCOCC1,PVRAWYKGRGYHQA-UHFFFAOYSA-N
-rxn:2:68801:128935,CC1CCC(NC[Si](C)(C)c2ccccc2)C(CN2CCCCCC2)C1,DOKFJOYPMWWRBO-UHFFFAOYSA-N
-rxn:2:68801:69865,CC1CCC(NC[Si](C)(C)c2ccccc2)C(CN2CCCCCCC2)C1,POSYBMUUHJPXSE-UHFFFAOYSA-N
-rxn:2:68836:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2(N(C)C3CCCN(C)C3)CCSC2)cn1,OXOXKDUUZRLGRX-UHFFFAOYSA-N
-rxn:2:69353:164678,COc1cc(OC2CCOC2)ccc1NC1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1,OAPFFUBOUSQZFD-UHFFFAOYSA-N
-rxn:2:69356:147883,COCCC(C)N1CCc2c(cccc2NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)C1,HOVHLIHJDDMDSI-UHFFFAOYSA-N
-rxn:2:69356:71645,CCC(C(Nc1cccc2c1CCN(C(C)CCOC)C2)c1ccccc1)N1CCOCC1,WECOVGLPGYTAMW-UHFFFAOYSA-N
-rxn:2:69403:155591,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NCC3(N(C)C4CCOCC4)CCSC3)nc2)nc1,DCZXDUWCEUZMMB-UHFFFAOYSA-N
-rxn:2:69649:132988,CCC(C)c1nc(C(C)C)n(C(C)C)c1NC1CCCC(N(C)C)CC1,WTRWNCLQLKTWNT-UHFFFAOYSA-N
-rxn:2:69820:153696,CCCC(NCC(C)(COC)N1CCCC(C)C1C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,YSKXFDBLAWHJBE-UHFFFAOYSA-N
-rxn:2:70235:124900,CCS(=O)(=O)C1CCC(NCc2ccccc2N(C)CC2CCOCC2)CC1,RGUHKZLEXMOAON-UHFFFAOYSA-N
-rxn:2:70251:74005,CC(C)Cc1cc(C(C)NCCCN2CCC(N(C)C)CC2)n(C)n1,QYVDEEIGRXOENW-UHFFFAOYSA-N
-rxn:2:70602:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCc1ncnn1C1CCS(=O)(=O)CC1,IZKJXOVPQVWMGN-UHFFFAOYSA-N
-rxn:2:70827:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)Cc2ccco2)CCCC1,INHVQQZYJVGRNZ-UHFFFAOYSA-N
-rxn:2:71118:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(S(C)(=O)=O)CCOCC1,WXLPMKDODZXJGB-UHFFFAOYSA-N
-rxn:2:71309:140202,CC(NCC1CCN(CC2CC2)CCO1)c1ccc(OS(C)(=O)=O)cc1,XZDBFDODMWOYPX-UHFFFAOYSA-N
-rxn:2:71853:150238,COc1cc([C@@H](NC2CCCC2OS(=O)(=O)c2ccc(C)cc2)C2CC2)cc2c1OCO2,USPWSMVFXPPXDX-XPJNUEMQSA-N
-rxn:2:72267:146538,CCCN1CCCC(c2cccc(NC(c3ccc(OC)cc3)c3c[nH]c(C(=O)N=CN(C)C)c3)c2)C1,IVBVUQNXKYQDNJ-UHFFFAOYSA-N
-rxn:2:72772:164678,COc1cc(NC2CCC(OS(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC1CCOC1,AUYKHQOGZXKBKN-UHFFFAOYSA-N
-rxn:2:73596:156074,CCN1CCN(C2(CNC(C)c3c(-c4cccc5ccccc45)cn[nH]c3=O)CCN(C)CC2)CC1,ZRXIBZNFKIUPAY-UHFFFAOYSA-N
-rxn:2:73943:153696,CCCC(NCCN1CCCC(N(C)C(C)C)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,MTLDHPSYTVJRFH-UHFFFAOYSA-N
-rxn:2:74153:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1cccnc1N1CCC(N(C)C)CC1,NQKSLAOUIDGHPG-UHFFFAOYSA-N
-rxn:2:74988:132367,Cc1cc(C(C)(C)C)ccc1C(NCCOC1CCCCCC1)C1CCCC1,URRYQBGSZUBQOM-UHFFFAOYSA-N
-rxn:2:74995:160431,COc1cc(OC2CCOCC2)ccc1NC1CCCCCC1OS(=O)(=O)c1ccc(C)cc1,LGLGGPAMUVGHPF-UHFFFAOYSA-N
-rxn:2:74995:164678,COc1cc(OC2CCOCC2)ccc1NC1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1,MNEYAPXZQPKKQP-UHFFFAOYSA-N
-rxn:2:74995:164704,COc1cc(OC2CCOCC2)ccc1NC1CCCCC1OS(=O)(=O)c1ccc(C)cc1,LEPKHDFQNFKGGR-UHFFFAOYSA-N
-rxn:2:75563:144085,CCC(C)CN(C)c1ccncc1NC(C)c1cc2c(n(C3CC3)c1=O)CCN(CC)C2,WAWBCEMDTGYZHN-UHFFFAOYSA-N
-rxn:2:75568:158270,CC(NC(c1ccc2c(c1)OCCO2)C(C)CN(C)C)c1cc(=O)n2nc(C3CCCO3)cc2[nH]1,DIILLEXZEBQQKN-UHFFFAOYSA-N
-rxn:2:75604:140202,COCCOC1CCCCCC1NC(C)c1ccc(OS(C)(=O)=O)cc1,CUBKTJQPLNONLV-UHFFFAOYSA-N
-rxn:2:75817:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1(n2cncn2)CCS(=O)(=O)CC1,JNBBACMZQCXCCN-UHFFFAOYSA-N
-rxn:2:75953:145532,CCS(=O)(=O)C1(CNC(C)c2csc(-c3ccnc(N4CCOCC4)c3)c2)CCOCC1,LOOCIOLXNJCFKV-UHFFFAOYSA-N
-rxn:2:75953:159074,CCS(=O)(=O)C1(CNC(C)c2sccc2-c2csc(N3CCOCC3)n2)CCOCC1,CNVYYJQMORAKBP-UHFFFAOYSA-N
-rxn:2:75953:161032,CCS(=O)(=O)C1(CNC(C)c2sccc2-c2ccnc(N3CCCC3)n2)CCOCC1,SXAXFQLVEKJPFS-UHFFFAOYSA-N
-rxn:2:76229:104602,Cc1ccc(CCC(NCC2CCC[Si](C)(C)CC2)C2CCCCC2)cc1,AAIAITKENMIEHA-UHFFFAOYSA-N
-rxn:2:76229:116045,Cc1cccc(CCC(NCC2CCC[Si](C)(C)CC2)C2CCCCC2)c1,UASBPBJEUPTFPG-UHFFFAOYSA-N
-rxn:2:76532:144472,CCCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,VGIUBWSQYXPXKG-UHFFFAOYSA-N
-rxn:2:76532:144601,COc1cccc2cc(-c3cc(C(C)NCCCN4CCC5(CC4)CC(OC)CCO5)ccn3)[nH]c12,QAXSNJOAIXLNJQ-UHFFFAOYSA-N
-rxn:2:76532:151721,COC1CCOC2(CCN(CCCNC(c3ccccc3)c3cnc(N4CCCCC4)c(C)c3)CC2)C1,YUEJBFBTYIGBDV-UHFFFAOYSA-N
-rxn:2:76532:155639,COC1CCOC2(CCN(CCCNC(C)c3ccccc3-c3nccc(N4CCCC4)n3)CC2)C1,RYANJDOYDAEERQ-UHFFFAOYSA-N
-rxn:2:76532:156765,COC1CCOC2(CCN(CCCNC3CCCc4ccc(-c5cncnc5C5CC5)cc43)CC2)C1,YLNCWCGNROVETD-UHFFFAOYSA-N
-rxn:2:76532:159934,COC1CCOC2(CCN(CCCNC(c3ccc(-c4ccnc(N5CCCC5)n4)cc3)C(C)C)CC2)C1,KVRMMPPBHXTCPW-UHFFFAOYSA-N
-rxn:2:76532:169148,COC1CCOC2(CCN(CCCNC(c3cnc4ccccc4c3)c3cc(C)ccc3C)CC2)C1,NRELNRYRBAINRT-UHFFFAOYSA-N
-rxn:2:76532:170480,COC1CCOC2(CCN(CCCNC(C)c3cc(C)ccc3-c3cnc4ccccc4c3)CC2)C1,KDWVGDKEVLVNNK-UHFFFAOYSA-N
-rxn:2:76532:172782,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1cccc(-c2ccc3cccnc3c2)c1,GYHALPVRUVFQPG-UHFFFAOYSA-N
-rxn:2:76532:94440,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(N2CCN(C)CC2)nc1,GXJKPJYMMMLEFJ-UHFFFAOYSA-N
-rxn:2:76539:78524,CC(CCCN(C)C1CCCC1)NCC1C(F)(F)C12CCC2,KRRZMJQBVOLBQE-UHFFFAOYSA-N
-rxn:2:76663:155569,CC(NCC(C)(C)CS(=O)(=O)C1CCCN(C)C1)c1cccnc1-c1cnn(CC2CC2)c1,QYQXMKCGTQHPSI-UHFFFAOYSA-N
-rxn:2:76975:147883,COC1CCN(c2ccc(CNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)cc2)CC1,TXXIZMLTHZWICF-UHFFFAOYSA-N
-rxn:2:77940:136954,CCC(C)(CNC1CCC([C@H]2CC[C@H](c3ccc(C)cc3)CC2)CC1)OC1CCC1,UPCPMRLOOCJMFO-OXZSSKASSA-N
-rxn:2:78810:152317,CC(NCC1CCCN(C2CC2)C1c1cncn1C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2,NCWWSTLGRQOJNX-UHFFFAOYSA-N
-rxn:2:79134:103080,CCC(C)c1ccc(C(NCCN2CC(COC)C3(CCCC3)C2)c2cc[nH]n2)cc1,ZNPBILSKNKCOIP-UHFFFAOYSA-N
-rxn:2:79778:112215,CCC(C(Nc1cc(=O)[nH]n1CCCN(C)C)c1ccc2c(c1)CCC2)N1CCCC1,KAANOBSCDZYAKG-UHFFFAOYSA-N
-rxn:2:79778:85594,CN(C)CCCn1[nH]c(=O)cc1NC1CC(C[Si](C)(C)C)C12CCCC2,CDTYLJUTSCKQIO-UHFFFAOYSA-N
-rxn:2:79800:144000,CS(C)(=O)=NS(=O)(=O)CCNC1CCc2cc(-c3cnc(N4CCOCC4)nc3)ccc21,QZTNGLUPELSGIG-UHFFFAOYSA-N
-rxn:2:79800:145957,Cc1cc2c(cc1-c1ccnn1C1CCCCO1)C(NCCS(=O)(=O)N=S(C)(C)=O)CC2,WISKWOPUFWGEEH-UHFFFAOYSA-N
-rxn:2:79800:146004,CS(C)(=O)=NS(=O)(=O)CCNC1CCc2cccc(-c3cnc(N4CCOCC4)nc3)c21,NJSDKRUPVKZIRU-UHFFFAOYSA-N
-rxn:2:79800:146246,CC(NCCS(=O)(=O)N=S(C)(C)=O)c1ccnc(-c2ccc(OC3CCOCC3)nc2)c1,TYZFLAXFWULAPG-UHFFFAOYSA-N
-rxn:2:79800:148621,CCC(NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(-c2cnn(C3CCOCC3)c2)s1,NXTDLNFMVUOTDK-UHFFFAOYSA-N
-rxn:2:79800:150092,CC(NCCS(=O)(=O)N=S(C)(C)=O)c1cnc(-c2ccc(OC3CCOCC3)nc2)cn1,UFQYCLZERXNXTI-UHFFFAOYSA-N
-rxn:2:79800:164570,CS(C)(=O)=NS(=O)(=O)CCNC1COc2cc(-c3cnn(C4CCOCC4)c3)ccc21,RSCQFPSHSTZDOJ-UHFFFAOYSA-N
-rxn:2:79800:164593,CS(C)(=O)=NS(=O)(=O)CCNC1CCc2ccc(-c3cnc(N4CCOCC4)nc3)cc21,DYPNXGDGFZVRQC-UHFFFAOYSA-N
-rxn:2:80151:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCCCN2CCC2CCCCN2C)cn1,GDKAIAWHXMLHTK-UHFFFAOYSA-N
-rxn:2:80298:155041,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nn1ccc3nc(N4CCCCC4)ncc3c1=O)CC2,QRGRNRFOSMKDJX-UHFFFAOYSA-N
-rxn:2:80651:80298,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nc1ccnn(C3CCOCC3)c1=O)CC2,WEKPDAYAQZJUOQ-UHFFFAOYSA-N
-rxn:2:81090:107422,Cc1nc(NC(C)c2ccc(N3CCN(C)CC3)s2)c(N2CCCC2CN(C)C)[nH]1,PZTDXPOPJKICQC-UHFFFAOYSA-N
-rxn:2:81278:164678,COc1cc2c(cc1CNC1CCC(OS(=O)(=O)c3ccc(C)cc3)CC1)OCCCO2,XVERBDZDCSDMKX-UHFFFAOYSA-N
-rxn:2:81510:147883,COCCC1CCN(c2ccc(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)cc2)CC1,UNUPUUYWSNIZAA-UHFFFAOYSA-N
-rxn:2:81957:149022,CC(CNCC(c1nc2ccccc2[nH]1)S(C)(=O)=O)N1CCCC(CN2CCCC2)C1,UIGVPZGDBYUVHZ-UHFFFAOYSA-N
-rxn:2:83028:74005,CC(C)Cc1cc(C(C)NC(C)CN2CCC(N(C)C)CC2)n(C)n1,FAIOODATYWAHOQ-UHFFFAOYSA-N
-rxn:2:83031:86839,CC(CCN(C)C1CCN(C)CC1)NC1C(F)(F)C12CCC2,KMUJZVZSGVRDGS-UHFFFAOYSA-N
-rxn:2:83444:146538,COc1ccc(C(NCC(F)(F)c2cnn([C@@H]3CCCCO3)c2)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,STQLUQDTTDPJBQ-UXMRNZNESA-N
-rxn:2:83444:150884,COc1ccc(C(NCC(F)(F)c2cnn([C@@H]3CCCCO3)c2)c2c[nH]c(C(=O)/N=C/N(C)C)c2)cc1,STQLUQDTTDPJBQ-VKWQFBPUSA-N
-rxn:2:84013:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCCC2CCCCN(C3CSC3)C2)cn1,GQSNHSSEMQVUSU-UHFFFAOYSA-N
-rxn:2:84731:147883,COC1CCN(C(CNC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)c2cnn(C)c2)CC1,UGEYLZJGVOKQDL-UHFFFAOYSA-N
-rxn:2:84906:154710,CN(C)c1ncc(-c2ccc3c(c2)C(NCC2CCCN(C4CCS(=O)(=O)C4)C2)CCS3)cn1,FYMNTKZLFRDISZ-UHFFFAOYSA-N
-rxn:2:85354:152317,CCC(NC(C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2)C(c1cccnc1)N1CCCCC1,ATLIJQFQBUVJCY-UHFFFAOYSA-N
-rxn:2:85721:164678,COc1cc(OC2CCCCC2)ccc1NC1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1,XYKIAVVPOBMWTK-UHFFFAOYSA-N
-rxn:2:86322:147883,COC1CCc2c(ncn2C(C)CCNC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)C1,YJVCGWNCGKAIIB-UHFFFAOYSA-N
-rxn:2:86393:72752,Cc1ccc(C(COCC2CCCO2)Nc2cc(N3CCC(N(C)C)CC3)ccc2C)cc1C,AUSAGCDOKIIBCJ-UHFFFAOYSA-N
-rxn:2:87172:109100,CN1CCC(N(C)CC(NCC2C(F)(F)C23CCCC3)c2cccn2C)CC1,LLAIMJBXZXVFKA-UHFFFAOYSA-N
-rxn:2:87378:99470,CCC(C)(C)OCC(NCC1CCN(c2nccn(C)c2=O)CC1)c1c(C)cc(C)cc1C,VISHADAESBWPHF-UHFFFAOYSA-N
-rxn:2:88035:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1(n2ccnn2)CCS(=O)(=O)CC1,IGXOMLFKSVCAPD-UHFFFAOYSA-N
-rxn:2:88473:168373,CC(C)n1c2c(cc(CNC3CCC(N(C)c4ccc5c(c4)ncn5C)CC3)c1=O)CN(C)CC2,HNGYCBLXFGGKFB-UHFFFAOYSA-N
-rxn:2:88600:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cc(C3CCCC3)nn2C2CCCCC2)cn1,QAZDZNACRYQUOV-UHFFFAOYSA-N
-rxn:2:89147:163337,CCOc1ccccc1-c1cc(C(C)NCC2CCN(C3CCN(C)CC3)CC2)c(=O)[nH]n1,CADSRRGYSAYWAL-UHFFFAOYSA-N
-rxn:2:89497:164678,COc1ccc2c(c1)C(CNC1CCC(OS(=O)(=O)c3ccc(C)cc3)CC1)CCCO2,KJLMCGASXJUPRD-UHFFFAOYSA-N
-rxn:2:90375:120702,CC(C)C1C(F)(F)C12CCC(NCN(C)CCC1CCCN(C)C1)CC2,IWWRZKSCNGGFHF-UHFFFAOYSA-N
-rxn:2:90636:146538,COc1ccc(C(Nc2ccnc(N3CC[C@@H](OC)[C@@H](F)C3)n2)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,XUHSPNBKYJLEDX-GWKQTIPISA-N
-rxn:2:90636:150884,COc1ccc(C(Nc2ccnc(N3CC[C@@H](OC)[C@@H](F)C3)n2)c2c[nH]c(C(=O)/N=C/N(C)C)c2)cc1,XUHSPNBKYJLEDX-DEDLMPELSA-N
-rxn:2:90636:164666,CO[C@@H]1CCN(c2nccc(NC(C)c3cc(C)cn4c(=O)cc(N5CCOCC5)nc34)n2)C[C@@H]1F,HFIRGEPPTMLJBV-ZYJPSCNZSA-N
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-rxn:2:91160:109100,CN(C)CCN(C)C1CCC(NCC2C(F)(F)C23CCCC3)CC1,DTAUYNRVLYTEGN-UHFFFAOYSA-N
-rxn:2:91311:95209,CC(C1CC1)N(C)C1(CNC2CCC3C(F)(F)C3(C)C2)CCSC1,QBEKGGYTUYAHOF-UHFFFAOYSA-N
-rxn:2:91379:103795,CCc1nc(CCN2CCCC2)sc1C(C)Nc1ccccc1N1CCC(N(C)C)CC1,PXLJSSJAVNVKRA-UHFFFAOYSA-N
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-rxn:2:92091:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)C)CCCSC1,FFBCRVYSVHKMRZ-UHFFFAOYSA-N
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-rxn:2:93673:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)C)CCCN(Cc2ccco2)C1,VOTJOIOOIZUUHX-UHFFFAOYSA-N
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-rxn:2:93959:144472,CCCC(NCC1CN(CCC(C)C)CC(C)N1C)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,PMOUAANVYMYDPX-UHFFFAOYSA-N
-rxn:2:94113:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cn(CC3CCCCC3)nc2C2CCCC2)cn1,XSMNUDOQGONKSU-UHFFFAOYSA-N
-rxn:2:94428:144085,CCN1CCc2c(cc(C(C)NCCCn3ccn4nc(C5CCCC5)cc34)c(=O)n2C2CC2)C1,IHTFTVZUGMRVHG-UHFFFAOYSA-N
-rxn:2:94457:147883,COCC(C)(CNC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C)c1ccc2c(c1)OCCO2,YYHJJVPQBPZUMQ-UHFFFAOYSA-N
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-rxn:2:96530:159074,CC(NCCC1CCN(C2CCS(=O)(=O)C2)C1)c1sccc1-c1csc(N2CCOCC2)n1,FOLYLQZRVLPOLD-UHFFFAOYSA-N
-rxn:2:97194:140202,CC(NC1CCC(OCC2CCOCC2)CC1)c1ccc(OS(C)(=O)=O)cc1,FQIBVYDUBBHNJF-UHFFFAOYSA-N
-rxn:2:97345:155971,CC(C)Cn1c2c(cc(CNC(C)c3ccnc(-c4ccnc(N5CCN(C)CC5)c4)c3)c1=O)CN(C)CC2,UWJAZFBVVAUUKN-UHFFFAOYSA-N
-rxn:2:97345:168373,CC(C)Cn1c2c(cc(CNC3CCC(N(C)c4ccc5c(c4)ncn5C)CC3)c1=O)CN(C)CC2,OIHJEGZQXHCTTI-UHFFFAOYSA-N
-rxn:2:97442:140202,CC(NC1CCOCC1OCC1CCCCO1)c1ccc(OS(C)(=O)=O)cc1,ZYYFKXZLLKNFEI-UHFFFAOYSA-N
-rxn:2:97812:134481,COc1c(C(NCC2CCCCCC2Cc2ccccc2C)C2CCC2)cc(C)cc1C(C)(C)C,JFMCUJLCAKHVDD-UHFFFAOYSA-N
-rxn:2:97926:144472,CCCC(NCCC1CN(CC(C)C)CC(C)N1C)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,UREZOLOERGVZLE-UHFFFAOYSA-N
-rxn:2:99213:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CC(F)Cn2nc(C3CCCCC3)nc21,HBIFUQMFUFKFOC-UHFFFAOYSA-N
-rxn:2:99336:105331,CC1CCCCC1N(C)C(C)CCNC1CCC([Si](C)(C)C)CC1,KECQALJBKZNUMH-UHFFFAOYSA-N
-rxn:2:99460:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CC(C(C3CCCC3)N(C)C)C2)cn1,SBMSLIPLBMQEDA-UHFFFAOYSA-N
-rxn:2:99804:80298,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nc1cccn(CCN3CCOCC3)c1=O)CC2,XHIGCOYLMMJJPE-UHFFFAOYSA-N
-rxn:3:11707:46343:104152,C=CCn1cc(-c2cn(CCC=Cc3nccc(C(=O)N[C@H]4C[C@H](C5CCCC5)C4)c3F)nn2)cn1,DMQXTARPKWPLCO-AQYVVDRMSA-N
-rxn:3:12155:44515:77117,CN(C)C1CC(c2cn(CCC#Cc3cc(C(=O)NC4(C(C)(F)F)CC4)ccn3)nn2)C1,XNMSETSAUNGXQJ-UHFFFAOYSA-N
-rxn:3:1251:59852:131639,CN(C)c1ccc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)N[C@H]5C[C@](C)(F)C5)C4)C3)nn2)cn1,WBPUQWPOLYPMQD-JBRASSBRSA-N
-rxn:3:16777:40920:110191,Cc1c(-c2cn(CC=Cc3nccc(C(=O)NC4CCCCCC4)c3F)nn2)cnn1CCC(C)C,QOBCQFDPUYKJQH-UHFFFAOYSA-N
-rxn:3:16893:40920:110191,CCCc1c(-c2cn(CC=Cc3nccc(C(=O)NC4CCCCCC4)c3F)nn2)cnn1CC(C)C,ONORXQXYAYJEJM-UHFFFAOYSA-N
-rxn:3:17667:40920:141994,CCn1nc(-c2cn(CC=Cc3nccc(C(=O)N[C@H]4CC[C@@H](CC)CC4)c3F)nn2)cc1CC(C)C,RHLINKZFVJEPIN-OYRHEFFESA-N
-rxn:3:17667:40920:91519,CCn1nc(-c2cn(CC=Cc3nccc(C(=O)N[C@H]4CC[C@H](CC)CC4)c3F)nn2)cc1CC(C)C,RHLINKZFVJEPIN-MEMLXQNLSA-N
-rxn:3:17876:59842:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1CC=C[C@H](n2cc(-c3nccn3C3CCCC3)nn2)C1,ZLVKUSZNSBSFQU-PXNSSMCTSA-N
-rxn:3:17876:59969:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@@]12C[C@@H](n3cc(-c4nccn4C4CCCC4)nn3)[C@@H]1C2,MSGLEBNSMSSFEQ-VNZMSGEBSA-N
-rxn:3:17881:59852:101404,O=C(NCCCS(=O)(=O)[O-])C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccnc(-n5cccn5)c4)nn3)C2)CCO1,ZMPJTOWGTFXZDD-JLMWTWJWSA-M
-rxn:3:17887:59852:121443,CCCc1ccnc(-n2nccc2-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NOS(C)(=O)=O)C4)C3)nn2)c1,DKLADSZAKJMRRC-VJOPYQGCSA-N
-rxn:3:17887:59852:83860,CCCc1ccnc(-n2nccc2-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)Nc5cccc(OS(=O)(=O)F)c5)C4)C3)nn2)c1,AEEIIBIBMXDKJY-AGJHVYIYSA-N
-rxn:3:17887:59852:95622,CCCc1ccnc(-n2nccc2-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NOC5CCS(=O)(=O)C5)C4)C3)nn2)c1,IDYZRBWTXPVRCC-FYGZEEIGSA-N
-rxn:3:17891:59852:121443,Cc1c(F)cnc(-n2nccc2-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NOS(C)(=O)=O)C4)C3)nn2)c1F,YRTMLTVEUHULLJ-KFKFVUQKSA-N
-rxn:3:17893:59852:105510,CC(C)Cc1ccnc(-n2nccc2-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5CCCS(=O)(=O)C5)C4)C3)nn2)c1,NJVFCQGJCOWIBP-NSIFAMOJSA-N
-rxn:3:17903:59852:81395,CC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cnn(-c6cc(C7CCC7)ccn6)c5)nn4)C3)CCO2)CS(=O)(=O)C1,MQBUGHGMLITLPJ-KZIPUZRUSA-N
-rxn:3:17914:59446:92636,CCS(=O)(=O)C1(CNC(=O)[C@H]2C[C@@H](n3cc(-c4cnn(-c5cc(F)cc(F)n5)c4)nn3)C2)CC2(CC2)C1,WQNCANNSYULNJY-RHNCMZPLSA-N
-rxn:3:1881:41046:121387,CCOC1CC(NC(=O)Cc2cc(F)ccc2C=CCn2cc(-c3cnc4scnc4c3)nn2)C12CCCCC2,RRLRBXWJNMCBPT-UHFFFAOYSA-N
-rxn:3:1881:41101:89161,COc1c(C=CCn2cc(-c3cnc4scnc4c3)nn2)cccc1C(=O)NCC(F)(F)C1(OC)CCOCC1,VQDWEFOLQTVIER-UHFFFAOYSA-N
-rxn:3:1881:41107:67474,CCC1C(F)(F)C12CCC(NC(=O)c1ccc(C=CCn3cc(-c4cnc5scnc5c4)nn3)cc1OC)CC2,LSEYYWDKRPPBTC-UHFFFAOYSA-N
-rxn:3:1881:51042:124822,COc1ccc(C2C(Cn3cc(-c4cnc5scnc5c4)nn3)C2(F)F)cc1C(=O)NCCOC1(C)CCCC1,GNBMESZCALVHKR-UHFFFAOYSA-N
-rxn:3:1881:51042:86312,COc1ccc(C2C(Cn3cc(-c4cnc5scnc5c4)nn3)C2(F)F)cc1C(=O)NC(C)C1(C)COCOC1,YCIVOCQSKVCWSJ-UHFFFAOYSA-N
-rxn:3:1881:51060:124822,COc1cc(C2C(Cn3cc(-c4cnc5scnc5c4)nn3)C2(F)F)ccc1C(=O)NCCOC1(C)CCCC1,CYRIZXSWGZJUJP-UHFFFAOYSA-N
-rxn:3:1881:51060:67769,COc1cc(C2C(Cn3cc(-c4cnc5scnc5c4)nn3)C2(F)F)ccc1C(=O)NCCOC1(C)CCOCC1,SXLRXGVELXTWPF-UHFFFAOYSA-N
-rxn:3:1881:59852:100996,CCCC1(CCNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cnc6scnc6c5)nn4)C3)CCO2)CS(=O)(=O)C1,NADAOGBOKGELBG-MRBOTJLVSA-N
-rxn:3:1881:59852:117699,O=C(NCCCCS(=O)(=O)F)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnc5scnc5c4)nn3)C2)CCO1,PYGMABQAEAYPBR-XXTRANHVSA-N
-rxn:3:1881:59852:70016,O=C(NCCOC1CCS(=O)(=O)CC1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnc5scnc5c4)nn3)C2)CCO1,RYSRQTLFSYKLPY-YUBCUAJFSA-N
-rxn:3:1887:59852:106561,Cc1cc(S(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cncc5nccn45)nn3)C2)CCO1,FBWQSRFJGOPTQO-AHTUAUCYSA-N
-rxn:3:1911:58230:68563,C=CCN(C)Cc1cn(CCCc2nccc(C(=O)NC3CCCCC(F)C3)c2F)nn1,OWISBKGOMZMNOO-UHFFFAOYSA-N
-rxn:3:23188:42680:112976,C[Si](C)(C)ONC(=O)c1ccc(C#CCn2cc(CC3(C#N)CC(F)(F)C3)nn2)cn1,ZXFKRXGWFWCNGT-UHFFFAOYSA-N
-rxn:3:23188:42681:73149,C[Si](C)(C)CNC(=O)c1ncccc1C#CCn1cc(CC2(C#N)CC(F)(F)C2)nn1,QELBWTBJZZAZBW-UHFFFAOYSA-N
-rxn:3:23188:42688:112976,C[Si](C)(C)ONC(=O)c1cc(C#CCn2cc(CC3(C#N)CC(F)(F)C3)nn2)ccn1,RCLVPEPUISFELO-UHFFFAOYSA-N
-rxn:3:23731:40863:100874,COC1(CNC(=O)[C@H](C)n2cc(C=CCn3cc([C@H]4C[C@H](n5ccnn5)C4)nn3)cn2)CS(=O)(=O)C1,IWUNHBQVTILPKS-WDSOQIARSA-N
-rxn:3:23731:42987:100874,COC1(CNC(=O)[C@H](C)n2cc(C#CCn3cc([C@H]4C[C@H](n5ccnn5)C4)nn3)cn2)CS(=O)(=O)C1,LBFCIRWWEJXHOM-WDSOQIARSA-N
-rxn:3:23732:42987:100874,COC1(CNC(=O)[C@H](C)n2cc(C#CCn3cc([C@H]4C[C@@H](n5ccnn5)C4)nn3)cn2)CS(=O)(=O)C1,LBFCIRWWEJXHOM-YTQUADARSA-N
-rxn:3:23732:59842:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1CC=C[C@H](n2cc([C@H]3C[C@@H](n4ccnn4)C3)nn2)C1,OMEPRKCAIFZAAD-PBWTXFEYSA-N
-rxn:3:23774:59842:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1CC=C[C@H](n2cc(C3(n4cc(F)cn4)CCC3)nn2)C1,MAVZIIDAUPWNBM-HKUYNNGSSA-N
-rxn:3:23777:59446:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1C[C@@H](n2cc(C3(n4cc(F)cn4)CCSCC3)nn2)C1,VEHSCNGXUQGAHD-RHNCMZPLSA-N
-rxn:3:23799:59842:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1CC=C[C@H](n2cc(C3(n4cccn4)CCCC3)nn2)C1,YOJIRFFORHXQNH-ICSRJNTNSA-N
-rxn:3:23799:59969:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@@]12C[C@@H](n3cc(C4(n5cccn5)CCCC4)nn3)[C@@H]1C2,KAZHJFQALQDEHK-NOXFTYBFSA-N
-rxn:3:23825:59852:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(C4(n5ccnc5)CC4)nn3)C2)CCO1,WBQPQLCQGBDRAA-MRBOTJLVSA-N
-rxn:3:23826:59969:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@@]12C[C@@H](n3cc(C4(n5ccnc5)CCC4)nn3)[C@@H]1C2,CNOJPMJLLIRXBD-KPLVRAHFSA-N
-rxn:3:23873:48101:106334,CN1CCC[C@H]1c1cncc(-c2cn(-c3cccc(OCC(=O)NCC4COCCS4(=O)=O)c3)nn2)c1,HZFZMWDHHBPFBI-GITCGBDTSA-N
-rxn:3:23873:48101:110285,CN1CCC[C@H]1c1cncc(-c2cn(-c3cccc(OCC(=O)NCC4CCCCS4(=O)=O)c3)nn2)c1,DVEWMQSPBMZFQX-YNMFNDETSA-N
-rxn:3:23873:48103:110285,CN1CCC[C@H]1c1cncc(-c2cn(-c3ccccc3OCC(=O)NCC3CCCCS3(=O)=O)nn2)c1,NBONJQHGAJBHJE-YANBTOMASA-N
-rxn:3:23873:59852:101404,CN1CCC[C@H]1c1cncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCCCS(=O)(=O)[O-])C4)C3)nn2)c1,BWIQSEKKBPVCCA-PNMLAVAESA-M
-rxn:3:23873:59852:105340,CN1CCC[C@H]1c1cncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCCS(=O)(=O)F)C4)C3)nn2)c1,ZHGSJGSGJPIWOQ-FQDHBXPTSA-N
-rxn:3:23873:59852:92547,CN1CCC[C@H]1c1cncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)Nc5ccc(OS(=O)(=O)F)cc5)C4)C3)nn2)c1,DBBPNASWZYJSMF-DLPFPISTSA-N
-rxn:3:23873:62829:81931,CN1CCC[C@H]1c1cncc(-c2cn(CC3CC(=O)N([C@H](C(=O)NCc4ccc(S(=O)(=O)F)s4)C4CCCCC4)C3)nn2)c1,ANHPPSGWOIMITK-YBZGVPESSA-N
-rxn:3:27797:59852:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccc5nccnc45)nn3)C2)CCO1,KTRFSLMVYUMSCX-NLDIKOHWSA-N
-rxn:3:27942:47746:105280,CN(C)c1ccncc1-c1cn(-c2c(F)cc3c(=O)c(C(=O)N[C@H]4[C@@H]5CCCCC[C@@H]54)cn(C4CC4)c3c2F)nn1,MXYKGCHCZSYABT-VAPPJAQISA-N
-rxn:3:27942:47746:132752,CN(C)c1ccncc1-c1cn(-c2c(F)cc3c(=O)c(C(=O)N[C@@H]4CC[C@H]5CCC[C@H]54)cn(C4CC4)c3c2F)nn1,GFCZLPIIAKQHPJ-JTUHZDRVSA-N
-rxn:3:28143:43162:134343,CN(C)[C@H]1CC[C@@H](c2cn(CC#Cc3ccc(F)c(CC(=O)Nc4cc5c(s4)CCC5)c3)nn2)CC1,UHIIHOJHPWDMSD-UHGJSFDGSA-N
-rxn:3:28369:49937:106303,CCC1(c2cn(CC3C(c4cn[nH]c4C(=O)Nc4cc5sc(=O)oc5cc4OC)C3(F)F)nn2)CCCCC1,QHOBSSMSEQMZMW-UHFFFAOYSA-N
-rxn:3:28708:59852:101404,O=C(NCCCS(=O)(=O)[O-])C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccnc4-n4ccnc4)nn3)C2)CCO1,NHHXMKQQWAJADE-IERKJGKXSA-M
-rxn:3:28710:60582:108806,C=CC[C@H](C(=O)NCC1CCC2(CCS(=O)(=O)CC2)O1)n1cc(-c2cccnc2-n2cccn2)nn1,WYBIUGDFYXFUGV-BDPMCISCSA-N
-rxn:3:30364:60078:120574,O=C(NC12CCCC1CS(=O)(=O)C2)c1cc2n(CCn3cc(-c4ccn(C5CCCC5)n4)nn3)ccn2n1,FEQSBNMEIXXPMB-UHFFFAOYSA-N
-rxn:3:31170:59852:65938,CC(C)c1ccnc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5COCCS(=O)(=O)C5)C4)C3)nn2)c1,FNOWKUTXCMYZAQ-ONRZVXARSA-N
-rxn:3:31769:42128:92433,C[Si](C)(C)CCONC(=O)c1sccc1C#CCn1cc(C2=CCC(F)(F)CC2)nn1,XTSIMURVZIXAIP-UHFFFAOYSA-N
-rxn:3:31769:42679:92433,C[Si](C)(C)CCONC(=O)c1cncc(C#CCn2cc(C3=CCC(F)(F)CC3)nn2)c1,SFQIAJNMVJRYKR-UHFFFAOYSA-N
-rxn:3:31769:42680:92433,C[Si](C)(C)CCONC(=O)c1ccc(C#CCn2cc(C3=CCC(F)(F)CC3)nn2)cn1,NUPXJTJDJYDZOX-UHFFFAOYSA-N
-rxn:3:31769:42681:81017,C[Si](C)(C)OCCNC(=O)c1ncccc1C#CCn1cc(C2=CCC(F)(F)CC2)nn1,DYDVFVABWDKQLP-UHFFFAOYSA-N
-rxn:3:31769:42685:92433,C[Si](C)(C)CCONC(=O)c1ccc(C#CCn2cc(C3=CCC(F)(F)CC3)nn2)nc1,FQSHDTQUZIXAIU-UHFFFAOYSA-N
-rxn:3:31769:42688:92433,C[Si](C)(C)CCONC(=O)c1cc(C#CCn2cc(C3=CCC(F)(F)CC3)nn2)ccn1,MJFVMNBVDBKTTR-UHFFFAOYSA-N
-rxn:3:31769:42689:92433,C[Si](C)(C)CCONC(=O)c1ccncc1C#CCn1cc(C2=CCC(F)(F)CC2)nn1,WUXLDFCZKUBEQJ-UHFFFAOYSA-N
-rxn:3:31769:44513:112976,C[Si](C)(C)ONC(=O)c1ccc(C#CCCn2cc(C3=CCC(F)(F)CC3)nn2)cn1,SGJIPNYRSXYTOV-UHFFFAOYSA-N
-rxn:3:31769:44514:92433,C[Si](C)(C)CCONC(=O)c1ncccc1C#CCCn1cc(C2=CCC(F)(F)CC2)nn1,WXAPMIRYIKHKGW-UHFFFAOYSA-N
-rxn:3:31769:44517:112976,C[Si](C)(C)ONC(=O)c1ccc(C#CCCn2cc(C3=CCC(F)(F)CC3)nn2)nc1,AMPUAIXBIAUCHH-UHFFFAOYSA-N
-rxn:3:31769:44520:112976,C[Si](C)(C)ONC(=O)c1cc(C#CCCn2cc(C3=CCC(F)(F)CC3)nn2)ccn1,ZLIVLXLJGGUASV-UHFFFAOYSA-N
-rxn:3:31939:50435:89487,CN(C)c1ccnc(-c2cn(CC3C(c4cccc(C(=O)NC5C(C)(C)OC56CCCC6)n4)C3(F)F)nn2)c1,ALRFZKPKZNYWSH-UHFFFAOYSA-N
-rxn:3:31939:51307:103798,CN(C)c1ccnc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)NC6CC7(CCCCCC7)C6)c5c4)C3(F)F)nn2)c1,KZBJBTBYBMUEPH-UHFFFAOYSA-N
-rxn:3:31939:51307:72341,CN(C)c1ccnc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)N[C@@H]6CCCC7(CC7)C6)c5c4)C3(F)F)nn2)c1,ZBHNMWVFQMURSO-MFDWQKDMSA-N
-rxn:3:31939:51307:77607,CN(C)c1ccnc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)NC6COC67CCCCC7)c5c4)C3(F)F)nn2)c1,BRTMFAXVAMBTLH-UHFFFAOYSA-N
-rxn:3:31939:51307:89553,CN(C)c1ccnc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)NC6CCOC67CCCCC7)c5c4)C3(F)F)nn2)c1,FSSCNGAXJMGPIG-UHFFFAOYSA-N
-rxn:3:31964:59852:135875,CS(=O)(=O)[C@H]1CC[C@@H](NC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5c(F)cc6sc(C7CC7)nc6c5F)nn4)C3)CCO2)C1,VXGRBEIKENLGRS-FGSBKZAUSA-N
-rxn:3:32592:47746:105280,CN(C)c1cc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5[C@@H]6CCCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)ccn1,VTMPTRVVMQDGOQ-BZOKFPOPSA-N
-rxn:3:32592:47746:132752,CN(C)c1cc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CC[C@H]6CCC[C@H]65)cn(C5CC5)c4c3F)nn2)ccn1,SKHICSQSGKPSDW-ZDWFVDTJSA-N
-rxn:3:32592:49822:110820,CN(C)c1cc(-c2cn(CC3C(c4sccc4C(=O)NC4CC[Si]5(CCCCC5)CC4)C3(F)F)nn2)ccn1,YSDFZBZKJYWNIV-UHFFFAOYSA-N
-rxn:3:36046:59852:132314,CCn1nccc1-c1cncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5CCS(=O)(=O)CC5)C4)C3)nn2)c1,PZCLBHFOIPZIIN-RDCUFOFQSA-N
-rxn:3:36046:59852:65938,CCn1nccc1-c1cncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5COCCS(=O)(=O)C5)C4)C3)nn2)c1,VJGNQHLMYGWMFD-VIWHSLTKSA-N
-rxn:3:37265:64509:86291,C=Cc1cc(C(F)(F)F)cnc1-c1cn(-c2cncc(C(=O)N[C@@H](c3cccc(OC)c3OC)C3CCCCC3)c2)nn1,ZNUOJMBEMUWDHC-HHHXNRCGSA-N
-rxn:3:37650:59852:117997,CC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(CCSc5ncc6nccnc6n5)nn4)C3)CCO2)CCCS1(=O)=O,ACLDXRQWMBQRDP-JWGUCRCDSA-N
-rxn:3:37650:59852:65938,O=C(NCC1COCCS(=O)(=O)C1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(CCSc4ncc5nccnc5n4)nn3)C2)CCO1,UCTMNMNEGLUAMP-VIXZBYKASA-N
-rxn:3:37650:59937:99561,CCOC1(CNC(=O)C23CCC(n4cc(CCSc5ncc6nccnc6n5)nn4)C2C3)CS(=O)(=O)C1,FDEFFXDZKXWPLW-UHFFFAOYSA-N
-rxn:3:37650:59969:99561,CCOC1(CNC(=O)[C@@]23C[C@@H](n4cc(CCSc5ncc6nccnc6n5)nn4)[C@@H]2C3)CS(=O)(=O)C1,NZOMSMSLNCLNQM-JIGPKXGUSA-N
-rxn:3:38287:59852:106561,Cc1cc(S(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccn5cncc45)nn3)C2)CCO1,HYLUWBKPCHJDPR-AHTUAUCYSA-N
-rxn:3:38287:59852:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccn5cncc45)nn3)C2)CCO1,GIXGQZYDNBIGNL-DUTPZCPISA-N
-rxn:3:38287:59852:81395,CC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5nccn6cncc56)nn4)C3)CCO2)CS(=O)(=O)C1,IOUATNYHQQWQBL-FYQIFJIOSA-N
-rxn:3:38287:65512:99561,CCOC1(CNC(=O)c2cnc(N3CC(Cn4cc(-c5nccn6cncc56)nn4)CC3=O)o2)CS(=O)(=O)C1,YXLNUZDRHMWKFS-UHFFFAOYSA-N
-rxn:3:38287:65592:72152,CCC1(CNC(=O)Cc2nnc(N3CC(Cn4cc(-c5nccn6cncc56)nn4)CC3=O)[nH]2)CCS(=O)(=O)C1,LLMJLAUVROCNQY-UHFFFAOYSA-N
-rxn:3:38306:65003:99561,CCOC1(CNC(=O)c2cncnc2N2CC(Cn3cc(-c4nccnc4F)nn3)CC2=O)CS(=O)(=O)C1,IVZYJDVRAFYAHQ-UHFFFAOYSA-N
-rxn:3:38306:65549:99561,CCOC1(CNC(=O)c2nccnc2N2CC(Cn3cc(-c4nccnc4F)nn3)CC2=O)CS(=O)(=O)C1,LJMWSWULUGZEJE-UHFFFAOYSA-N
-rxn:3:38364:56493:111610,COc1ccc(C2CC2Cn2cc(-c3cn4ccnc4cn3)nn2)cc1C(=O)NC1(COS(=O)(=O)[O-])CCCC1,KNZVHGAVDIKCKA-UHFFFAOYSA-M
-rxn:3:38364:56510:111610,COc1cc(C2CC2Cn2cc(-c3cn4ccnc4cn3)nn2)ccc1C(=O)NC1(COS(=O)(=O)[O-])CCCC1,HUZJFXMDDGOMNY-UHFFFAOYSA-M
-rxn:3:38787:59852:95622,N#Cc1cc(F)cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NOC5CCS(=O)(=O)C5)C4)C3)nn2)c1,LQABBUUJNXAFRW-CRQFIJHFSA-N
-rxn:3:39720:48101:110285,CN1CCCC1c1cncc(-c2cn(-c3cccc(OCC(=O)NCC4CCCCS4(=O)=O)c3)nn2)c1,DVEWMQSPBMZFQX-UHFFFAOYSA-N
-rxn:3:40005:16782:96700,Cc1c(-c2cn(CC=Cc3sccc3C(=O)NC3CC4(C3)CC(F)(F)C4)nn2)cnn1CCN(C)C,KHESCASPEWCVAP-UHFFFAOYSA-N
-rxn:3:40005:38579:71532,CN(C)c1ccc(-c2cn(CC=Cc3sccc3C(=O)NC3CC4(CCC(F)(F)CC4)C3)nn2)cc1,QILGUPXSXXFXEP-UHFFFAOYSA-N
-rxn:3:40005:5864:141351,CN(C)c1ccnc2ccc(-c3cn(CC=Cc4sccc4C(=O)NCC4CC5(CCC(F)(F)CC5)C4)nn3)cc12,WDJJBUAYOHZTEW-UHFFFAOYSA-N
-rxn:3:40057:17887:67474,CCCc1ccnc(-n2nccc2-c2cn(CC=Cc3ccc(C(=O)NC4CCC5(CC4)C(CC)C5(F)F)o3)nn2)c1,QTHMHQZBNVSFLC-UHFFFAOYSA-N
-rxn:3:40441:2259:67969,CCN1CCC(c2cn(CC=Cc3cnc(C(=O)NCC(OC)c4ccc5c(c4)OCCO5)nc3)nn2)CC1,XDFHWUMUGCSJIH-UHFFFAOYSA-N
-rxn:3:40554:17887:67474,CCCc1ccnc(-n2nccc2-c2cn(CC=Cc3cncc(C(=O)NC4CCC5(CC4)C(CC)C5(F)F)c3)nn2)c1,RZIXWUDZZITALC-UHFFFAOYSA-N
-rxn:3:40554:2259:67969,CCN1CCC(c2cn(CC=Cc3cncc(C(=O)NCC(OC)c4ccc5c(c4)OCCO5)c3)nn2)CC1,DXTIDBBPGHLDLN-UHFFFAOYSA-N
-rxn:3:40558:1251:119713,CN(C)c1ccc(-c2cn(CC=Cc3cc(C(=O)NC4CCC5(CC4)OCC5(F)F)ccn3)nn2)cn1,SBLJRSSSUIRQDN-UHFFFAOYSA-N
-rxn:3:40558:16806:67806,CCc1c(-c2cn(CC=Cc3cc(C(=O)N[C@@H]4CCCC(F)(F)C4)ccn3)nn2)cnn1CCN(C)C,QSWSCCGRPNIHLA-OAQYLSRUSA-N
-rxn:3:40558:27942:119713,CN(C)c1ccncc1-c1cn(CC=Cc2cc(C(=O)NC3CCC4(CC3)OCC4(F)F)ccn2)nn1,MPJJWPSCOBIEKQ-UHFFFAOYSA-N
-rxn:3:40558:32592:71532,CN(C)c1cc(-c2cn(CC=Cc3cc(C(=O)NC4CC5(CCC(F)(F)CC5)C4)ccn3)nn2)ccn1,YXGMQDKTOVSUAO-UHFFFAOYSA-N
-rxn:3:40559:8607:108283,CN(C)C(c1cn(CC=Cc2cccc(C(=O)NC3(C(C)(F)F)CCC3)n2)nn1)C1CC1,PTFLXLBLRMNUBD-UHFFFAOYSA-N
-rxn:3:40560:5463:92433,C[Si](C)(C)CCONC(=O)c1ccc(C=CCn2cc(C3CC4(C3)CC(F)(F)C4)nn2)nc1,SSORSLNUXXINQF-UHFFFAOYSA-N
-rxn:3:40562:17887:67474,CCCc1ccnc(-n2nccc2-c2cn(CC=Cc3ccnc(C(=O)NC4CCC5(CC4)C(CC)C5(F)F)c3)nn2)c1,LAHLYGHHFCIHRU-UHFFFAOYSA-N
-rxn:3:40856:17644:116611,CN(C)CCn1nc(-c2cn(C3(C(=O)N[C@H]4CC4(F)F)CC3)nn2)cc1C1CCCC1,BFMTUXUXTAXTQN-SFHVURJKSA-N
-rxn:3:40919:1251:75778,CN(C)c1ccc(-c2cn(CC=Cc3cc(C(=O)N[C@H]4CC[C@H](C(C)(C)F)CC4)c(F)cn3)nn2)cn1,QRMASRVEYQYQCR-MXVIHJGJSA-N
-rxn:3:40919:2259:66222,CCN1CCC(c2cn(CC=Cc3cc(C(=O)NC[C@@H](C)C4CC(F)C4)c(F)cn3)nn2)CC1,KUSYDGXWSWIWRN-QHGAOEGBSA-N
-rxn:3:40919:32254:75778,CN(C)c1cncc(-c2cn(CC=Cc3cc(C(=O)N[C@H]4CC[C@H](C(C)(C)F)CC4)c(F)cn3)nn2)c1,KLDSEWCMJQPTNM-MXVIHJGJSA-N
-rxn:3:40920:7851:132550,CCC[C@H](NC(=O)c1ccnc(C=CCn2cc(C3(N(C)C)CCCC3)nn2)c1F)c1sccc1C,YAWMPIHARGMQEO-QFIPXVFZSA-N
-rxn:3:41110:1881:68267,COCCC1(NC(=O)c2cc(OC)ccc2C=CCn2cc(-c3cnc4scnc4c3)nn2)CCC(F)(F)CC1,HNFOSEHJDBJENN-UHFFFAOYSA-N
-rxn:3:42683:16806:67806,CCc1c(-c2cn(CC#Cc3cc(C(=O)N[C@@H]4CCCC(F)(F)C4)ccn3)nn2)cnn1CCN(C)C,BQMZZXPSCISQRH-OAQYLSRUSA-N
-rxn:3:42684:16782:83031,Cc1c(-c2cn(CC#Cc3cccc(C(=O)NC4C(F)(F)C45CCC5)n3)nn2)cnn1CCN(C)C,UMPGOKIZBHZZGM-UHFFFAOYSA-N
-rxn:3:42684:23873:113048,CN1CCC[C@H]1c1cncc(-c2cn(CC#Cc3cccc(C(=O)NCC4CCOC45CCS(=O)(=O)CC5)n3)nn2)c1,DRXGSHDTCVMGHP-AZKKKJBWSA-N
-rxn:3:42686:16806:67806,CCc1c(-c2cn(CC#Cc3ncccc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,QOFKZIQEUDAHBG-LJQANCHMSA-N
-rxn:3:42987:23143:70075,CCN1CC(c2cn(CC#Cc3cnn([C@@H](C)C(=O)NCC4(OC)CCSC4)c3)nn2)C1,RCDBEHWFQODFBT-LBOXEOMUSA-N
-rxn:3:43044:13895:66248,CCCCC[C@H]1CC[C@@H](c2cn(CC#Cc3nccc(C(=O)NC4CCC(F)C4)c3F)nn2)CC1,AZQNIDOKJCQROD-FDRBHKFBSA-N
-rxn:3:43044:2259:67969,CCN1CCC(c2cn(CC#Cc3nccc(C(=O)NCC(OC)c4ccc5c(c4)OCCO5)c3F)nn2)CC1,IELZGKATTHGLSC-UHFFFAOYSA-N
-rxn:3:43044:38579:75778,CN(C)c1ccc(-c2cn(CC#Cc3nccc(C(=O)N[C@H]4CC[C@H](C(C)(C)F)CC4)c3F)nn2)cc1,FVNXMZGTKIRGLE-MEMLXQNLSA-N
-rxn:3:43166:2259:69969,CCN1CCC(c2cn(CC#Cc3ccc(CC(=O)N[C@H]4CC45CC5)c(F)c3)nn2)CC1,WEGVCEAYWJYGQF-QHCPKHFHSA-N
-rxn:3:43170:17887:66436,CCCc1ccnc(-n2nccc2-c2cn(CC#Cc3ccc(F)cc3CC(=O)N[C@H]3CCCC[C@H](OC)C3)nn2)c1,LDPJSGKEKOZYEI-NSOVKSMOSA-N
-rxn:3:43458:17887:66278,CCCc1ccnc(-n2nccc2-c2cn(C(COCC)C(=O)NC3CC4(CCOCC4)Oc4ccc(C)cc43)nn2)c1,BVICUDCWDQIMNJ-UHFFFAOYSA-N
-rxn:3:43458:17887:66355,CCCc1ccnc(-n2nccc2-c2cn(C(COCC)C(=O)NC3CCC4(CC3)CS(=O)(=O)C4)nn2)c1,ZFUNOQYTMZVQJX-UHFFFAOYSA-N
-rxn:3:43509:16806:96700,CCc1c(-c2cn(Cc3ccc(C(=O)NC4CC5(C4)CC(F)(F)C5)o3)nn2)cnn1CCN(C)C,KAPBMAOFTRPECJ-UHFFFAOYSA-N
-rxn:3:4364:40920:69859,CC(C)CCN(C)Cc1cn(CC=Cc2nccc(C(=O)N[C@H]3CC[Se]C3)c2F)nn1,ZYNKIPPQTRXSQQ-KRWDZBQOSA-N
-rxn:3:44513:23143:66021,CCN1CC(c2cn(CCC#Cc3ccc(C(=O)NCC4(CS(C)(=O)=O)CCCC4)nc3)nn2)C1,GQZQQZOHKJJXCN-UHFFFAOYSA-N
-rxn:3:44514:2850:123002,CN(C)c1ncccc1-c1cn(CCC#Cc2cccnc2C(=O)NC2CC3(C2)C(F)(F)C32CCC2)nn1,JIQLOPKDDMPEJW-UHFFFAOYSA-N
-rxn:3:44514:2850:75778,CN(C)c1ncccc1-c1cn(CCC#Cc2cccnc2C(=O)N[C@H]2CC[C@H](C(C)(C)F)CC2)nn1,TYFIIJWSPZRTPL-HZCBDIJESA-N
-rxn:3:44520:16806:67806,CCc1c(-c2cn(CCC#Cc3ccnc(C(=O)N[C@@H]4CCCC(F)(F)C4)c3)nn2)cnn1CCN(C)C,VXHAUACBNCXOOF-OAQYLSRUSA-N
-rxn:3:44520:32592:123002,CN(C)c1cc(-c2cn(CCC#Cc3ccnc(C(=O)NC4CC5(C4)C(F)(F)C54CCC4)c3)nn2)ccn1,JLZXUZLLXZIHLS-UHFFFAOYSA-N
-rxn:3:44711:17887:66436,CCCc1ccnc(-n2nccc2-c2cn(CCC#Cc3cc(F)cc(C(=O)N[C@H]4CCCC[C@H](OC)C4)c3)nn2)c1,CTRNQVAJXQOEPM-NSOVKSMOSA-N
-rxn:3:46056:1251:119713,CN(C)c1ccc(-c2cn(CCC=Cc3cc(C(=O)NC4CCC5(CC4)OCC5(F)F)ccn3)nn2)cn1,XMYKQKKUURHMRR-UHFFFAOYSA-N
-rxn:3:46056:27942:119713,CN(C)c1ccncc1-c1cn(CCC=Cc2cc(C(=O)NC3CCC4(CC3)OCC4(F)F)ccn2)nn1,XUHMNBOJEIXEIA-UHFFFAOYSA-N
-rxn:3:46056:2850:119713,CN(C)c1ncccc1-c1cn(CCC=Cc2cc(C(=O)NC3CCC4(CC3)OCC4(F)F)ccn2)nn1,IFDFFZNUBIZQQZ-UHFFFAOYSA-N
-rxn:3:46056:32592:119713,CN(C)c1cc(-c2cn(CCC=Cc3cc(C(=O)NC4CCC5(CC4)OCC5(F)F)ccn3)nn2)ccn1,MAMOQWUFBQMELS-UHFFFAOYSA-N
-rxn:3:46056:32592:71532,CN(C)c1cc(-c2cn(CCC=Cc3cc(C(=O)NC4CC5(CCC(F)(F)CC5)C4)ccn3)nn2)ccn1,FUKLSBTTYCKWTM-UHFFFAOYSA-N
-rxn:3:46058:32592:119713,CN(C)c1cc(-c2cn(CCC=Cc3ccc(C(=O)NC4CCC5(CC4)OCC5(F)F)cn3)nn2)ccn1,WZZHLQNQXLAONS-UHFFFAOYSA-N
-rxn:3:46058:32592:71532,CN(C)c1cc(-c2cn(CCC=Cc3ccc(C(=O)NC4CC5(CCC(F)(F)CC5)C4)cn3)nn2)ccn1,MHMQBKUDJYDFPY-UHFFFAOYSA-N
-rxn:3:46058:8607:108283,CN(C)C(c1cn(CCC=Cc2ccc(C(=O)NC3(C(C)(F)F)CCC3)cn2)nn1)C1CC1,FYBWMXDQOJMEQU-UHFFFAOYSA-N
-rxn:3:46342:31814:69859,CN(C)CC1(c2cn(CCC=Cc3cc(C(=O)N[C@H]4CC[Se]C4)c(F)cn3)nn2)CC1,ZKVXSVDEVVETDB-KRWDZBQOSA-N
-rxn:3:46343:11707:91267,C=CCn1cc(-c2cn(CCC=Cc3nccc(C(=O)N[C@@H]4C[C@H]4C4CCCCC4)c3F)nn2)cn1,OCDGMPIBRDJWND-LADGPHEKSA-N
-rxn:3:47746:1251:115757,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5C[C@H]6OCCC[C@@H]56)cn(C5CC5)c4c3F)nn2)cn1,PPFBABUHOANMPE-JWNTYJGQSA-N
-rxn:3:47746:1251:83031,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5C(F)(F)C56CCC6)cn(C5CC5)c4c3F)nn2)cn1,RYDYLUSNMSKNOC-UHFFFAOYSA-N
-rxn:3:47746:17887:66805,CCCc1ccnc(-n2nccc2-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H](C)C5CCCOC5)cn(C5CC5)c4c3F)nn2)c1,WXPYYCJJIFBLRT-YMBRHYMPSA-N
-rxn:3:47746:17887:66969,CCCc1ccnc(-n2nccc2-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H](c5ccc6c(c5)OCO6)C5CCCCC5)cn(C5CC5)c4c3F)nn2)c1,IVPDIRWXODNWFQ-PSXMRANNSA-N
-rxn:3:47746:17887:67954,CCCc1ccnc(-n2nccc2-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC[C@@]56CCC[C@@H]5OCC6)cn(C5CC5)c4c3F)nn2)c1,SHVOVHODQAAQTL-FOPBOCKXSA-N
-rxn:3:49127:17887:66278,CCCc1ccnc(-n2nccc2-c2cn(CC(OCC)C(=O)NC3CC4(CCOCC4)Oc4ccc(C)cc43)nn2)c1,NMJTZVYAKQXDBB-UHFFFAOYSA-N
-rxn:3:50151:17887:67866,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4sc(C(=O)N[C@@H]5CC56CCCCC6)cc4C)C3(F)F)nn2)c1,DIYLVGHKFMGVDE-PYLWXJQRSA-N
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-rxn:3:50439:17887:66436,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccnc(C(=O)N[C@H]5CCCC[C@H](OC)C5)c4)C3(F)F)nn2)c1,RKXYOOGPHIMCDB-VHGCQIPTSA-N
-rxn:3:50681:17887:66436,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4c(C)cccc4C(=O)N[C@H]4CCCC[C@H](OC)C4)C3(F)F)nn2)c1,BDSMRMNLEGWCOH-MCAHUBGDSA-N
-rxn:3:50874:39600:132716,COc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(C3C(Cn4cc(CN5CCCC(N(C)C)C5)nn4)C3(F)F)cn1)CC2,QESJIVSUWXBEHJ-YQKMBSBOSA-N
-rxn:3:51042:17887:66833,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(OC)c(C(=O)NC5CCC6(CCOCC6)C5)c4)C3(F)F)nn2)c1,QJKNVVXPPMWEDE-UHFFFAOYSA-N
-rxn:3:51049:17724:69859,CCCn1nc(-c2cn(CC3C(c4ccc(C(=O)N[C@H]5CC[Se]C5)cc4OC)C3(F)F)nn2)cc1C1CCCCC1,JVZJYIFPSUOYHR-QAAXHWMCSA-N
-rxn:3:51049:17887:67869,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(C(=O)NC5COC6(COC6)C5)cc4OC)C3(F)F)nn2)c1,BXLCMSIFOYFABX-UHFFFAOYSA-N
-rxn:3:51050:17887:67869,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cc(C(=O)NC5COC6(COC6)C5)ccc4OC)C3(F)F)nn2)c1,PMHDSENXNJOKQK-UHFFFAOYSA-N
-rxn:3:51051:17887:66929,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cccc(C(=O)N[C@H]5CC56CCOCC6)c4OC)C3(F)F)nn2)c1,XIHRVOOXOPPNQD-KLIUIWTBSA-N
-rxn:3:51051:17887:67590,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cccc(C(=O)N[C@@H]5CC56CCOCC6)c4OC)C3(F)F)nn2)c1,XIHRVOOXOPPNQD-KJIXGKQBSA-N
-rxn:3:51059:17887:67590,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cc(OC)cc(C(=O)N[C@@H]5CC56CCOCC6)c4)C3(F)F)nn2)c1,SFAVAIIYSKSHFE-QRXISGLASA-N
-rxn:3:51059:17887:69959,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cc(OC)cc(C(=O)N[C@H]5CC[C@]6(CCO6)CC5)c4)C3(F)F)nn2)c1,FDHOVFKZTBOHSR-ASLUVKLNSA-N
-rxn:3:51060:17887:66929,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(C(=O)N[C@H]5CC56CCOCC6)c(OC)c4)C3(F)F)nn2)c1,QMJHRSRZZSGFSD-KXLLNGJYSA-N
-rxn:3:51060:17887:67590,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(C(=O)N[C@@H]5CC56CCOCC6)c(OC)c4)C3(F)F)nn2)c1,QMJHRSRZZSGFSD-IPEXIJNSSA-N
-rxn:3:51064:17887:67866,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cccc(OC)c4C(=O)N[C@@H]4CC45CCCCC5)C3(F)F)nn2)c1,LSIHGUYQCQIXDI-DLPZQXBVSA-N
-rxn:3:51307:17887:66436,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc5[nH]nc(C(=O)N[C@H]6CCCC[C@H](OC)C6)c5c4)C3(F)F)nn2)c1,XOEXPADFYDQIPB-SOFGLPRESA-N
-rxn:3:51497:2259:66203,CCN1CCC(c2cn(CC3C(c4ccc(-c5cc(C(=O)NC6CSc7cc(OC)ccc7C6)[nH]n5)cc4)C3(F)F)nn2)CC1,JSVGBQAFYBJUDG-UHFFFAOYSA-N
-rxn:3:51497:29726:138378,COC1CC2CC(NC(=O)c3cc(-c4ccc(C5C(Cn6cc(C7=CCCCCCCCCCC7)nn6)C5(F)F)cc4)n[nH]3)C2C1,LBTYYVCFYHUFDA-UHFFFAOYSA-N
-rxn:3:53780:9248:124780,O=C(Nc1ccc2c(c1)S(=O)(=O)CO2)c1ncccc1OCCn1cc(C(CN2CCCCC2)N2CCCCC2)nn1,IWSFMTKVYDVAQA-UHFFFAOYSA-N
-rxn:3:53841:31339:105636,CS(=O)(=O)[C@H]1CC[C@H](NC(=O)c2ncsc2C2C(CCn3cc(-c4ncc5n4CCCC5)nn3)C2(F)F)CC1,PAMYHHQCBXTFME-DMVBEIBASA-N
-rxn:3:54544:2259:68844,CCN1CCC(c2cn(CCC3C(c4cc(C)cnc4C(=O)Nc4ccc(OC)cc4OC)C3(F)F)nn2)CC1,HLFPRZSZAARXBF-UHFFFAOYSA-N
-rxn:3:5463:44001:112976,C[Si](C)(C)ONC(=O)c1sccc1C#CCCn1cc(C2CC3(C2)CC(F)(F)C3)nn1,TVRGEWAMMZPCKQ-UHFFFAOYSA-N
-rxn:3:5474:47746:109334,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCC5C(C)(C)C)cn(C5CC5)c4c3F)nn2)cn1,VSDQPFXPNJJTFZ-UHFFFAOYSA-N
-rxn:3:5474:47746:124091,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5CCCC(C)(C)C5)cn(C5CC5)c4c3F)nn2)cn1,VBMSQHPYWXPBPA-KRWDZBQOSA-N
-rxn:3:5474:47746:131065,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CC6CCCCCC6C5)cn(C5CC5)c4c3F)nn2)cn1,QCXCHKJFXVHMDU-UHFFFAOYSA-N
-rxn:3:5474:47746:75917,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CCCCC5(C)C)cn(C5CC5)c4c3F)nn2)cn1,HZLVOADMTHSGHZ-JOCHJYFZSA-N
-rxn:3:5474:47746:88981,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5CCCCC5(C)C)cn(C5CC5)c4c3F)nn2)cn1,HZLVOADMTHSGHZ-QFIPXVFZSA-N
-rxn:3:5474:51307:131978,CN(C)c1ncc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)N[C@H]6CC67CCCCC7)c5c4)C3(F)F)nn2)cn1,JSDWFNZVQDQBHG-UTCTYZAISA-N
-rxn:3:5474:51307:67866,CN(C)c1ncc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)N[C@@H]6CC67CCCCC7)c5c4)C3(F)F)nn2)cn1,JSDWFNZVQDQBHG-RUDSSYLZSA-N
-rxn:3:5474:59852:70016,CN(C)c1ncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCCOC5CCS(=O)(=O)CC5)C4)C3)nn2)cn1,CHOWEGVMLAWFKL-MRBOTJLVSA-N
-rxn:3:5474:59852:85563,CN(C)c1ncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5(C)CCS(=O)(=O)CC5)C4)C3)nn2)cn1,FUAGLUVOQWGKJP-CKALXEAQSA-N
-rxn:3:54804:15487:92388,CO[C@@H]1C[C@H]1NC(=O)c1n[nH]c2ccc(C3C(CCn4cc(-c5cn(C6CCCC6)nc5C5CCCC5)nn4)C3(F)F)cc12,ZMEHUWRWIVMWGW-HXSSADIGSA-N
-rxn:3:55877:17887:65938,CCCc1ccnc(-n2nccc2-c2cn(CC3CC3c3cncc(C(=O)NCC4COCCS(=O)(=O)C4)c3)nn2)c1,IKUHUWWZUXTDBQ-UHFFFAOYSA-N
-rxn:3:55883:17724:125792,CCCn1nc(-c2cn(CC3CC3c3cccc(C(=O)Nc4ccc5c(c4)CC(F)(F)C5)n3)nn2)cc1C1CCCCC1,BRFUSTXMLHZFPA-UHFFFAOYSA-N
-rxn:3:55885:6445:108806,O=C(NCC1CCC2(CCS(=O)(=O)CC2)O1)c1cccnc1C1CC1Cn1cc(-c2cnn(-c3cnccn3)c2)nn1,WCMFAGSUIJKEOR-UHFFFAOYSA-N
-rxn:3:56124:39139:101193,O=C(Nc1scc2c1CCC2)c1c(F)cccc1C1CC1Cn1cc(C(CN2CCCC2)N2CCCC2)nn1,BQSSGHGBZNEIJG-UHFFFAOYSA-N
-rxn:3:56124:39139:134343,O=C(Nc1cc2c(s1)CCC2)c1c(F)cccc1C1CC1Cn1cc(C(CN2CCCC2)N2CCCC2)nn1,VCFHDIMCUHWJHV-UHFFFAOYSA-N
-rxn:3:56124:39139:80609,O=C(NC1CCc2sccc21)c1c(F)cccc1C1CC1Cn1cc(C(CN2CCCC2)N2CCCC2)nn1,CWCPURPYKFHPTP-UHFFFAOYSA-N
-rxn:3:56124:39139:93475,O=C(Nc1cc2c(s1)CCCC2)c1c(F)cccc1C1CC1Cn1cc(C(CN2CCCC2)N2CCCC2)nn1,JNFZVAZOWLNYIX-UHFFFAOYSA-N
-rxn:3:56128:39139:101193,O=C(Nc1scc2c1CCC2)c1ccc(F)cc1C1CC1Cn1cc(C(CN2CCCC2)N2CCCC2)nn1,YIMGPAKJXWRWBR-UHFFFAOYSA-N
-rxn:3:56298:29726:96623,COCCOc1ccc2c(NC(=O)c3cc(C4CC4Cn4cc(C5=CCCCCCCCCCC5)nn4)ncc3F)cccc2c1,YUXZXERLJNCXNQ-UHFFFAOYSA-N
-rxn:3:56299:11707:113889,C=CCn1cc(-c2cn(CC3CC3c3nccc(C(=O)N[C@@H]4CCC[C@H](C5CC5)C4)c3F)nn2)cn1,CURRUGCWQUIOSB-GQRWVPFLSA-N
-rxn:3:56299:11707:115977,C=CCn1cc(-c2cn(CC3CC3c3nccc(C(=O)N[C@H]4C[C@@H]4C4CCCCC4)c3F)nn2)cn1,HUTIDOCBISETTP-PLISZXCSSA-N
-rxn:3:56299:11707:91267,C=CCn1cc(-c2cn(CC3CC3c3nccc(C(=O)N[C@@H]4C[C@H]4C4CCCCC4)c3F)nn2)cn1,HUTIDOCBISETTP-LWZIIBGRSA-N
-rxn:3:56471:17887:66436,CCCc1ccnc(-n2nccc2-c2cn(CC3CC3c3c(F)cc(C(=O)N[C@H]4CCCC[C@H](OC)C4)cc3F)nn2)c1,CJLZPKXYOUYAOK-VKKYLHOTSA-N
-rxn:3:56520:8620:163877,CSc1ncc(C2CC2Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c(C(=O)Nc2scc3c2c(=O)oc2ccccc23)n1,LXVSAAYXEBDNPR-UHFFFAOYSA-N
-rxn:3:57886:32592:123002,CN(C)c1cc(-c2cn(CCCc3cccc(C(=O)NC4CC5(C4)C(F)(F)C54CCC4)n3)nn2)ccn1,RERYOZALASKEJS-UHFFFAOYSA-N
-rxn:3:57886:8607:77117,CN(C)C(c1cn(CCCc2cccc(C(=O)NC3(C(C)(F)F)CC3)n2)nn1)C1CC1,RGCFDJGLTPSXSA-UHFFFAOYSA-N
-rxn:3:58230:23158:67645,CCN1CCC(c2cn(CCCc3nccc(C(=O)N[C@H]4C[C@H](OC(C)C)C4)c3F)nn2)C1,QEFYBOOAWSWXLA-YIQCUVMYSA-N
-rxn:3:58230:23158:70075,CCN1CCC(c2cn(CCCc3nccc(C(=O)NCC4(OC)CCSC4)c3F)nn2)C1,QIXVXGFGJXPGTP-UHFFFAOYSA-N
-rxn:3:59842:16977:129999,CCn1ncc(-c2cn([C@H]3C=CC[C@H](C(=O)Nc4ccccc4OS(=O)(=O)F)C3)nn2)c1C1CCCCC1,HBVPPKLGHYBTLW-PMACEKPBSA-N
-rxn:3:59852:17887:69013,CCCc1ccnc(-n2nccc2-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)C4)C3)nn2)c1,ABVJHHDXQRXNTG-CJTJAOPVSA-N
-rxn:3:59852:17887:81395,CCCc1ccnc(-n2nccc2-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5(C)CS(=O)(=O)C5)C4)C3)nn2)c1,VZOKYIAUMBKRAF-JIISWEIGSA-N
-rxn:3:59852:17892:136281,Cc1cnc(-n2nccc2-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5CS(=O)(=O)CCO5)C4)C3)nn2)cc1C1CC1,ZLODFAWALZJRQQ-SKKLXNTPSA-N
-rxn:3:59852:17892:65938,Cc1cnc(-n2nccc2-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5COCCS(=O)(=O)C5)C4)C3)nn2)cc1C1CC1,IHKJDEBOXWKFER-ZNOWYUMRSA-N
-rxn:3:59852:17910:65938,Cc1ccnc(-n2cc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6COCCS(=O)(=O)C6)C5)C4)nn3)cn2)c1C1CC1,IXVVPYLBCTYIOW-WCJSSBDLSA-N
-rxn:3:59852:28575:69013,CCc1cccnc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)C2)nn1,YQYKYYFFWOEPDN-BJUYWAFUSA-N
-rxn:3:59852:32254:90515,CN(C)c1cncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)N[C@H]5CC[C@@H](CS(=O)(=O)F)CC5)C4)C3)nn2)c1,ZKSLQRFHPICQLX-FQPGQVKZSA-N
-rxn:3:59852:32592:70016,CN(C)c1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCCOC5CCS(=O)(=O)CC5)C4)C3)nn2)ccn1,REQOIEWVDMVGKU-QQMHWKEJSA-N
-rxn:3:59852:3295:151783,CCn1cnc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)Nc5ccc(OS(=O)(=O)F)c6ccccc56)C4)C3)nn2)c1,QNLNEHSXIVPFNZ-RZDHNTQGSA-N
-rxn:3:59852:6396:134099,O=C(NCCCS(=O)(=O)F)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnc(N5CCCC5)nc4)nn3)C2)CCO1,AFQJFQORVLSBTD-CJHNXZANSA-N
-rxn:3:59852:6404:151783,CN1CCCN(c2ncc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)Nc6ccc(OS(=O)(=O)F)c7ccccc67)C5)C4)nn3)cn2)CC1,DJRGCTPGBMBCNY-ZNCLLQHPSA-N
-rxn:3:59852:8:134099,O=C(NCCCS(=O)(=O)F)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccc(N5CCCC5)nn4)nn3)C2)CCO1,DCPHPSJFHKPESN-IERKJGKXSA-N
-rxn:3:59897:15470:96700,CN(C)CCn1cc(-c2cn(Cc3cccc(C(=O)NC4CC5(C4)CC(F)(F)C5)n3)nn2)c(C2CCC2)n1,HROBXGUJTKOEMO-UHFFFAOYSA-N
-rxn:3:59957:16806:94773,CCc1c(-c2cn([C@@H](C)CC(=O)N[C@H]3C[C@@]4(CCC4(F)F)C3)nn2)cnn1CCN(C)C,WWQVPUXZJATQNZ-QYWGDWMGSA-N
-rxn:3:59958:17887:68265,CCCc1ccnc(-n2nccc2-c2cn([C@@H]3CCC[C@@H](C(=O)NCC4(F)CCS(=O)(=O)C4)C3)nn2)c1,ZHHZJLQVFXVYIT-PRIXLJELSA-N
-rxn:3:59958:5864:67474,CCC1C(F)(F)C12CCC(NC(=O)[C@@H]1CCC[C@@H](n3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)C1)CC2,OQKXGPFRCLXJEJ-DFAZDQAKSA-N
-rxn:3:60580:6872:108806,C=CC[C@@H](C(=O)NCC1CCC2(CCS(=O)(=O)CC2)O1)n1cc(Cn2ccc(-c3cnccn3)n2)nn1,IMYGYQKNYWMAQU-BPARTEKVSA-N
-rxn:3:60580:7196:108806,C=CC[C@@H](C(=O)NCC1CCC2(CCS(=O)(=O)CC2)O1)n1cc(-c2ccn3nccc3n2)nn1,GVLNXMJVPQPUDB-CVMIBEPCSA-N
-rxn:3:62466:28204:151955,C=C1CN2CCCC2(c2cn(C3CCC(C(=O)Nc4ccc5ccc(OS(=O)(=O)F)cc5c4)C4CCC43)nn2)C1,CFDRCDFWUDOEFO-UHFFFAOYSA-N
-rxn:3:62824:6998:106303,CCc1ncnc(-c2cn(CC3CC(=O)N([C@@H](C(=O)Nc4cc5sc(=O)oc5cc4OC)C4=CCC=CC4)C3)nn2)c1F,FGJIYAOLCQSOKM-GDALGIGOSA-N
-rxn:3:62849:17887:70084,CCCc1ccnc(-n2nccc2-c2cn(CC3CC(=O)N(C(C)(C)C(=O)Nc4csc5c4CCCC5)C3)nn2)c1,WZFFVPGXIFWYHX-UHFFFAOYSA-N
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-rxn:2:102134:147883,COc1ncc(C2C(CNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)cc1C,SGPSFKXUUVWVTF-UHFFFAOYSA-N
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-rxn:2:102399:152807,COS(=O)(=O)c1ccc(-c2ccsc2C(C)NC2CCC(S(=O)(=O)C3CCCC3)CC2)cc1,JXMLWZDMORPSDZ-UHFFFAOYSA-N
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-rxn:2:107422:144270,CC(=O)c1cccc(C2C(CSC(C)Nc3nc(C)[nH]c3N3CCCC3CN(C)C)C2(F)F)n1,IQLSDPZAYJQPDT-UHFFFAOYSA-N
-rxn:2:107422:147728,CC(=O)c1ccc(C2C(CSC(C)Nc3nc(C)[nH]c3N3CCCC3CN(C)C)C2(F)F)cn1,MQDJTTIIMLYYPD-UHFFFAOYSA-N
-rxn:2:107482:91258,CCS(=O)(=O)C1(c2nc(CNC(CN3CCCCC3)c3cccc(OC)c3)cs2)CC1,MPAYEXJEXWDYFT-UHFFFAOYSA-N
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-rxn:2:111538:136090,CC(=O)c1ccc(C#CCSC(C)N[C@H]2CC[C@H](OS(C)(=O)=O)CC2)cn1,JEDGQRRGIMWFOV-DNLFPKPLSA-N
-rxn:2:111538:159696,CC(C)Oc1ccc(-c2ccc(C(C)N[C@H]3CC[C@H](OS(C)(=O)=O)CC3)c3c2OCO3)cn1,DFALQNUNSGCEKH-YGXOWLSWSA-N
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-rxn:2:111610:84222,COc1ccc(C(C#C[Si](C)(C)C)NC2(COS(=O)(=O)[O-])CCCC2)cc1,MQHZDWQOUGWSBR-UHFFFAOYSA-M
-rxn:2:111702:166041,Cc1ccc(N2C(C)CC(CNC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)C2C)cc1,CFXNUTFODWIGDT-UHFFFAOYSA-N
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-rxn:2:113378:152707,COc1ccc(C(C)NOCC2CCN(C3CCS(=O)(=O)C3)CC2)cc1-c1cc(=O)[nH]c(=O)[nH]1,BHHBSZZFYMNAOH-UHFFFAOYSA-N
-rxn:2:113378:152807,COS(=O)(=O)c1ccc(-c2ccsc2C(C)NOCC2CCN(C3CCS(=O)(=O)C3)CC2)cc1,HHUVNMILCJEAIB-UHFFFAOYSA-N
-rxn:2:113378:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NOCC2CCN(C3CCS(=O)(=O)C3)CC2)cn1,MKGDNLKXZXBSAV-UHFFFAOYSA-N
-rxn:2:113378:157448,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,PNLYYAHPBGJTIU-UHFFFAOYSA-N
-rxn:2:113378:162583,CS(=O)(=O)n1cc(-c2ccc(C(NOCC3CCN(C4CCS(=O)(=O)C4)CC3)C3CC3)cc2)cn1,LAUJWBWFWAOTCC-UHFFFAOYSA-N
-rxn:2:113378:163512,CCS(=O)(=O)c1ccc(-c2ncccc2C(C)NOCC2CCN(C3CCS(=O)(=O)C3)CC2)cc1,FTFHVDVBHHDSAO-UHFFFAOYSA-N
-rxn:2:113378:164099,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,KGYMWNLCPSHYIN-UHFFFAOYSA-N
-rxn:2:113378:165217,CS(=O)(=O)n1cc(-c2cccc3c2C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CO3)cn1,HYJOXXRLLNIZAO-UHFFFAOYSA-N
-rxn:2:113527:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCc1ccnc(N2CCC(N(C)C)CC2)n1,JFXAITZLRRNQHQ-UHFFFAOYSA-N
-rxn:2:114200:148941,CC(NCC1CCCCN1C1CCN(C(C)C)C1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,GDQCDFBKJIIILQ-UHFFFAOYSA-N
-rxn:2:114200:156195,CC(NCC1CCCCN1C1CCN(C(C)C)C1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,FSZTWPMFEDQWRE-UHFFFAOYSA-N
-rxn:2:114215:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)Cc2cnn(C)c2)CCN(C)C1,DGFRKGZHUKGRCX-UHFFFAOYSA-N
-rxn:2:114805:147883,CO[C@H]1C[Si](C)(C)C[C@H]1NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,HSRICFBDFGTSFZ-YMSDKTMASA-N
-rxn:2:115327:140202,CC(NCC1CC2CCC(C1)N2C1CC1)c1ccc(OS(C)(=O)=O)cc1,IEIUVOFKZXIYHX-UHFFFAOYSA-N
-rxn:2:115327:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CC3CCC(C2)N3C2CC2)cn1,KPIBVSMVFJLNIA-UHFFFAOYSA-N
-rxn:2:115347:147883,CCc1c(C)nn(CC2CC2(F)F)c1NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,QDUDGGQXNSWMPQ-UHFFFAOYSA-N
-rxn:2:115807:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)Nc1cccnc1N1CCC(C(C)(F)F)CC1,RYGQVXCQWDAUPE-UHFFFAOYSA-N
-rxn:2:116388:113527,CC(=O)c1cc(C#CCSC(C)NCc2ccnc(N3CCC(N(C)C)CC3)n2)cs1,OTLBDKBPPNSFRH-UHFFFAOYSA-N
-rxn:2:116443:91160,Cc1c(C2(C)CC2)nn(CC2CC2(F)F)c1NC1CCC(N(C)CCN(C)C)CC1,MRIQTAAKMWAGNF-UHFFFAOYSA-N
-rxn:2:116823:114498,CCC(CN1CCC(N(C)C)CC1)NC(CSc1nccn1C)C(C)C,KSSCHISDRVWPID-UHFFFAOYSA-N
-rxn:2:116901:152807,COS(=O)(=O)c1ccc(-c2ccsc2C(C)NC2CCC(C)CC2C2CCS(=O)(=O)C2)cc1,DWXIVYJRQGAVOB-UHFFFAOYSA-N
-rxn:2:117066:122134,CC(NC1CC2CCCC(C1)N2CC1COCCO1)c1ccc(OS(=O)(=O)[O-])cc1,LXMPVMMAODISQC-UHFFFAOYSA-M
-rxn:2:117066:153663,Cc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)n1NC(C)c1ccc(OS(=O)(=O)[O-])cc1,JRCLYGLNWBYXSX-UHFFFAOYSA-M
-rxn:2:117286:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1(N(C)C)CCCC1,QDQUKZVNCCBOPV-UHFFFAOYSA-N
-rxn:2:117626:147883,COc1cccc(C2C(CCNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)n1,JQMYUEGXJQXGSB-UHFFFAOYSA-N
-rxn:2:117741:156195,CC(CN1CCCC(N2CCCCC2)CC1)NC(C)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,JZAFXPWFODKUQK-UHFFFAOYSA-N
-rxn:2:118023:102067,CC(CCCCn1ccn(C)c(=O)c1=O)NCc1nn(CC2CC2(F)F)c2c1C(C)CC2,RGHSRLGWZDXUCA-UHFFFAOYSA-N
-rxn:2:118023:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCc1nn(CC2CC2(F)F)c2c1C(C)CC2,BIWIIXYCFOZRCA-UHFFFAOYSA-N
-rxn:2:118776:150764,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1cc(-c2ccc(N3CCOCC3)nc2)cs1,VBFXQKWLFKRMFS-UHFFFAOYSA-N
-rxn:2:118776:152826,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1cc(-c2ccnc(N3CCOCC3)c2)cs1,FGCSTPJTPOUJER-UHFFFAOYSA-N
-rxn:2:118776:155836,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1ncc(-c2ccnc(N3CCOCC3)c2)cn1,VZBRLDYURPIHBF-UHFFFAOYSA-N
-rxn:2:118776:157836,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1ccc(-c2ccnc(N3CCOCC3)c2)s1,NELPXHZIXHPHIN-UHFFFAOYSA-N
-rxn:2:119694:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC1(COC)CC(F)(F)C1,AKHQNMHAUACUCE-UHFFFAOYSA-N
-rxn:2:119694:154391,COCC1(CNC(C)CCCCn2c(=O)c3nc[nH]c3n(C)c2=O)CC(F)(F)C1,ZDESCSIXLATZRS-UHFFFAOYSA-N
-rxn:2:119716:99688,CC(CCN(C)c1ccc2c(c1)CCCS2)NCC1(S(=O)(=O)C2CCCC2)CC1,HQVPEDOWSJXSNX-UHFFFAOYSA-N
-rxn:2:119930:133840,Cc1nn(CC2CC2(F)F)c(NC(C)CCCCn2[nH]c(=O)ccc2=O)c1C1(C)CC1,BDUNVVKGQJFLJK-UHFFFAOYSA-N
-rxn:2:120197:155721,CCS(=O)(=O)c1ccc(-c2cccnc2C(C)NCC2(C(C3CCOCC3)N(C)C)COC2)cc1,MJYICFXCLJPTGA-UHFFFAOYSA-N
-rxn:2:120217:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CC3CCC(C2)N3CC2CC2)cn1,NUVUFIVZARDSIZ-UHFFFAOYSA-N
-rxn:2:120322:137856,CC(=O)c1sccc1C#CCCSC(C)NCC1(CS(=O)(=O)F)CC1,WASAPQMNYDWDDU-UHFFFAOYSA-N
-rxn:2:120869:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN1CCN(C)C(C)C1,DFDLNSRYLKWVCA-UHFFFAOYSA-N
-rxn:2:121079:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(C)(C)Oc1cccc(S(C)(=O)=O)c1,ORLRNPIICPDLNW-UHFFFAOYSA-N
-rxn:2:121159:102067,CC(CCCCn1ccn(C)c(=O)c1=O)Nc1nn(CC2CC2(F)F)c2c1C(C)CC2,TUIRGJZAOSFVJH-UHFFFAOYSA-N
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-rxn:2:121159:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)Nc1nn(CC2CC2(F)F)c2c1C(C)CC2,QEEWBPLEVQDXNM-UHFFFAOYSA-N
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-rxn:2:122762:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1cnn(C2CC3(C2)CC(F)(F)C3)c1,ZRBWEYCOYZESMJ-UHFFFAOYSA-N
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-rxn:2:124419:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3cc(N(C)C4CCN(C)CC4)ncn3)C2(F)F)nc1,LBZUFNVJJAYPNR-UHFFFAOYSA-N
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-rxn:2:135079:126600,Cc1ccc(C(C)NC2CC3CCC(C2)N3C2CCOCC2)c(OS(=O)(=O)F)c1,ZOTAISRUIRYPJR-UHFFFAOYSA-N
-rxn:2:135079:157448,CC(NC1CC2CCC(C1)N2C1CCOCC1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,WPXISHXECFLYFC-UHFFFAOYSA-N
-rxn:2:135079:164099,CC(NC1CC2CCC(C1)N2C1CCOCC1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,ZBHBJPCNBGXWIL-UHFFFAOYSA-N
-rxn:2:135079:73502,CC(NC1CC2CCC(C1)N2C1CCOCC1)c1ccc(COS(C)(=O)=O)cc1,LAQRPWWSGNIRNE-UHFFFAOYSA-N
-rxn:2:135128:133840,CC1CN(CC(F)(F)CNC(C)CCCCn2[nH]c(=O)ccc2=O)C(C)(C)C1,KFGAMCAYIMBILT-UHFFFAOYSA-N
-rxn:2:135285:155591,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NCC3(N4CC(C)CC(C)C4)CCN(C)CC3)nc2)nc1,SACZQYGDDWREJO-UHFFFAOYSA-N
-rxn:2:135681:143973,O=S1(=O)CCN(c2ccnc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)c2)CC1,ZEAFMXGVAFJPOE-UHFFFAOYSA-N
-rxn:2:135778:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCc1nn(CC2CC2(F)F)c2c1C1CC1C2,PUOZIEIUYWIAQF-UHFFFAOYSA-N
-rxn:2:135971:147883,COc1c(C)cc(C2C(CNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)cc1C,LKNGAJHGRIIYND-UHFFFAOYSA-N
-rxn:2:136272:152707,COc1ccc(C(C)NCC(F)(F)CN2CCCC(C)(C)C2)cc1-c1cc(=O)[nH]c(=O)[nH]1,OTLRAKGLYQUDJW-UHFFFAOYSA-N
-rxn:2:136627:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(Cc2ccc(S(C)(=O)=O)cc2)CC1,ZZKKDWNIFHZQCQ-UHFFFAOYSA-N
-rxn:2:136805:147883,COc1ncc(C2C(CNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)c(OC)n1,BQSIOCCUUJZJCL-UHFFFAOYSA-N
-rxn:2:137448:149407,CC(C)C(N(C)C)C1(CNC(CC2=NCCO2)c2ccc3[nH]c(=O)[nH]c3c2)CC1,WDUSUNSIPXDMTJ-UHFFFAOYSA-N
-rxn:2:137592:147883,COc1cccc(C2(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)CCC(F)(F)CC2)c1,VHISZIJONKOXJC-UHFFFAOYSA-N
-rxn:2:137778:143973,CN1C2CCC1CC(Oc1ncccc1NC1CCN(C3=NS(=O)(=O)c4ccccc43)CC1)C2,LPGAFEKAYJLQBV-UHFFFAOYSA-N
-rxn:2:138182:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)Nc1nc(CN2CCC(N(C)C)CC2)cs1,MRAGRFLYINFNLE-UHFFFAOYSA-N
-rxn:2:138351:146153,COc1ccc(-c2ccc(C(CN3CCCC3)NCC3CCN(C4CCS(=O)(=O)C4)CC3)cc2)cc1,UIMGILBCMDHQKD-UHFFFAOYSA-N
-rxn:2:138351:152807,COS(=O)(=O)c1ccc(-c2ccsc2C(C)NCC2CCN(C3CCS(=O)(=O)C3)CC2)cc1,YQYXPRKTAHVJIM-UHFFFAOYSA-N
-rxn:2:138351:171943,Cc1cccc(C2CC2C(NCC2CCN(C3CCS(=O)(=O)C3)CC2)c2cccs2)c1,LVLWNLVUYUBMTN-UHFFFAOYSA-N
-rxn:2:138363:165256,CC(NCC1CCN(C2CCCN(C)CC2)CC1)c1csc(-c2ccc(S(C)(=O)=O)cc2)c1,LRNFBOUKFBVQSQ-UHFFFAOYSA-N
-rxn:2:138546:136425,Cc1nc(N2CCN(C)CC2)sc1C(C)Nc1ccc(N2CCC(N(C)C)CC2)cn1,VRKHDSAOMIPXGO-UHFFFAOYSA-N
-rxn:2:138726:130727,CCC(Nc1cccc(S(=O)(=O)OC2CCCC2)c1)c1cnc(SC2CCCCC2)c(C)c1,SSLHCTUHVFNTAI-UHFFFAOYSA-N
-rxn:2:138854:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCc1c2c(nn1CC1CC1(F)F)CCC2C,CLLWRWMRIALOTH-UHFFFAOYSA-N
-rxn:2:138854:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1c2c(nn1CC1CC1(F)F)CCC2C,AHIFOURZLXWYTF-UHFFFAOYSA-N
-rxn:2:139208:143151,CC(NCC1CCCN(C2CCN(C)CC2)C1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,KEDAETYDRYUPAZ-UHFFFAOYSA-N
-rxn:2:140054:147883,COc1ccccc1C1(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)CCC(F)(F)CC1,QVLFJGPGJYHFJD-UHFFFAOYSA-N
-rxn:2:140318:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCCCC2OS(C)(=O)=O)cn1,QVIVOTVGZQPNGB-UHFFFAOYSA-N
-rxn:2:140359:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCC(F)(F)CN1CCSC(C)C1C,VLFKVECBECDQSU-UHFFFAOYSA-N
-rxn:2:140405:147883,CCC(CNC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C)N(C)C1CCN(C)CC1,RFAZKDOUKLYEMX-UHFFFAOYSA-N
-rxn:2:142475:119754,CCC1C(F)(F)C12CCC(Nc1nc3[nH]c(OC)c(OC(C)C)c(=O)n3n1)CC2,LVUKNIPTAORJCL-UHFFFAOYSA-N
-rxn:2:143339:169635,COCCOc1cc2nc[nH]c(=O)c2cc1NC(C)c1cccc(C(F)(F)C(=N)SC2CCCC2)n1,YMFCYGXCRATJQF-UHFFFAOYSA-N
-rxn:2:143544:166169,CC(Nc1ncnc2c1[nH]c(=O)n2CCN(C)C)SCC1C(c2ccc3c(c2)C(=O)CC3)C1(F)F,LLRFJQIZXVDNBM-UHFFFAOYSA-N
-rxn:2:156675:169635,CCC(c1cccc(OC)c1)n1[nH]c(=O)cc1NC(C)c1cccc(C(F)(F)C(=N)SC2CCCC2)n1,PUYGNMUBWFPBCS-UHFFFAOYSA-N
-rxn:2:159120:85766,CCC(NCc1cc2cnn(C(C)C(C)C)c2[nH]c1=O)C1CCN(CC(C)C)C1,HHJAVUXIGCVCDH-UHFFFAOYSA-N
-rxn:2:159327:138408,Cc1c([C@@H](C)NC(CN2CCN(C3CC3)CC2)c2ccccc2)cccc1S(=O)(=O)C1CC1,GTPGLAYUDWTPSK-OSMGYRLQSA-N
-rxn:2:66291:151752,CC(NC1CCC(N2CCSCC2)CC1)c1cc(-c2ccccc2)ccc1OS(=O)(=O)F,QIYFUUZJKIMYFF-UHFFFAOYSA-N
-rxn:2:66620:88564,CC(C)(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])SC1C2CC3CC(C2)CC1C3,SZVJSYJWRFJRHL-UHFFFAOYSA-M
-rxn:2:66816:143151,CC(NC1CCN(C2CCN(C)CC2)CC1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,GUOVCORDUJONKW-UHFFFAOYSA-N
-rxn:2:66816:164099,CC(NC1CCN(C2CCN(C)CC2)CC1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,ZUYCJROPBMEENE-UHFFFAOYSA-N
-rxn:2:66816:165256,CC(NC1CCN(C2CCN(C)CC2)CC1)c1csc(-c2ccc(S(C)(=O)=O)cc2)c1,IOJCDQQITZCOBB-UHFFFAOYSA-N
-rxn:2:67296:75360,CCC(CNC(C)c1ccc2c(c1)OCCOCCOCCO2)S(=O)(=O)c1cccs1,BIXKYNCLLDHBQA-UHFFFAOYSA-N
-rxn:2:67472:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1c(C(C)(F)F)nn(C)c1N1CCC1,GIMPJSWDPIQGTP-UHFFFAOYSA-N
-rxn:2:67478:104695,CCC(COS(C)(=O)=O)NCC1CC1C1CC1c1ccc2c(c1)OCO2,UVDSPXYPSKBCAV-UHFFFAOYSA-N
-rxn:2:68310:88564,CN1CCN(C(CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])c2ccsc2)CC1,VNSLDEQFIJRDDQ-UHFFFAOYSA-M
-rxn:2:68439:143151,CC(NCC1CCN(C2CCN(C)CC2)C1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,NWWHIWCBQMTKAG-UHFFFAOYSA-N
-rxn:2:68647:143151,CC(NC1CCCN(C2CCN(C)CC2)C1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,JLWPXKUJMWNJRY-UHFFFAOYSA-N
-rxn:2:68745:153696,CCCC(NCC(F)(F)CN1CCCOC(C)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,QFVFVAVKUOAVAF-UHFFFAOYSA-N
-rxn:2:68813:144472,CCCC(NCC(N(C)OC)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,KJLPHYYPIFUVHV-UHFFFAOYSA-N
-rxn:2:68813:152707,COc1ccc(C(C)NCC(N(C)OC)C23CC4CC(CC(C4)C2)C3)cc1-c1cc(=O)[nH]c(=O)[nH]1,QLUVLYKXFZQLJH-UHFFFAOYSA-N
-rxn:2:69175:126600,Cc1ccc(C(C)NCC2C3CC(C3)N2C2CCC2)c(OS(=O)(=O)F)c1,GOMGJIZWQSYJRR-UHFFFAOYSA-N
-rxn:2:69336:153696,CCCC(NCC(F)(F)CN1CC(C)CC(C)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,VMLADGWINFHGTB-UHFFFAOYSA-N
-rxn:2:69566:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)C)CN2CCC1CC2,JDUHPMWACZQFHR-UHFFFAOYSA-N
-rxn:2:69733:140202,CC(NCC1(OC2COC2)CCCCC1)c1ccc(OS(C)(=O)=O)cc1,ICPVXMRSMRAYEL-UHFFFAOYSA-N
-rxn:2:70006:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1cn[nH]c1C1CCC(F)(F)CC1,KERYHNVZWXQDKC-UHFFFAOYSA-N
-rxn:2:70472:143151,CC(NC1CCN(C2CCN(C3CC3)C2)CC1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,AOZMCKSLANTDLW-UHFFFAOYSA-N
-rxn:2:70472:164099,CC(NC1CCN(C2CCN(C3CC3)C2)CC1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,RVDCNXXLYQFOIF-UHFFFAOYSA-N
-rxn:2:70683:114048,COCc1cc(OS(=O)(=O)F)ccc1NC1CCC(COS(C)(=O)=O)CC1,FTXGDZSPONQHHK-UHFFFAOYSA-N
-rxn:2:70683:160431,COCc1cc(OS(=O)(=O)F)ccc1NC1CCCCCC1OS(=O)(=O)c1ccc(C)cc1,TYQZSLKLVCWPQC-UHFFFAOYSA-N
-rxn:2:70736:153696,CCCC(NCC(F)(F)CN1CC2C(C1)C2(C)C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,OVHAGCBGSSBRQJ-UHFFFAOYSA-N
-rxn:2:70965:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(CCC(C)C)CCS(=O)(=O)C1,QDLBXLMGCZICRB-UHFFFAOYSA-N
-rxn:2:71118:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCC1(S(C)(=O)=O)CCOCC1,NLVVVNGMQRSKFN-UHFFFAOYSA-N
-rxn:2:71125:75817,CCn1ncc(C#CCO[Si](C)(C)C)c1C(C)NCCC1(n2cncn2)CCS(=O)(=O)CC1,RXEIGAZTWJLNMG-UHFFFAOYSA-N
-rxn:2:71287:122583,COc1cc(S(C)(=O)=O)ccc1NC(CCN1CCCCC1)c1ccc(OC)c(C)c1C,PANQCXZIZKJIPT-UHFFFAOYSA-N
-rxn:2:71316:82504,CCS(=O)(=O)C(CNC(CN1CCCC1)c1cccc(C)c1)C1CCCC1,YELRDPWSFCRZLT-UHFFFAOYSA-N
-rxn:2:71394:130600,CC(=O)Oc1cc(C(C)=O)ccc1OC(C)NCC(F)(F)c1cnc(N2CCCC2)nc1,MGSBYQGNTFAOPA-UHFFFAOYSA-N
-rxn:2:71394:146538,COc1ccc(C(NCC(F)(F)c2cnc(N3CCCC3)nc2)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,AKKHPDDZAJUXTQ-UHFFFAOYSA-N
-rxn:2:71394:150884,COc1ccc(C(NCC(F)(F)c2cnc(N3CCCC3)nc2)c2c[nH]c(C(=O)/N=C/N(C)C)c2)cc1,AKKHPDDZAJUXTQ-ATZGPIRCSA-N
-rxn:2:71394:158106,CCCCCC(NCC(F)(F)c1cnc(N2CCCC2)nc1)c1cn(C)c(=O)n(C)c1=O,ZDAGMRSGWBRABW-UHFFFAOYSA-N
-rxn:2:71427:160431,Cc1ccc(S(=O)(=O)OC2CCCCCC2Nc2ccc(C(C)(C)S(C)(=O)=O)nc2)cc1,HHTFEKTWSUVGMV-UHFFFAOYSA-N
-rxn:2:72660:127973,COc1cc(S(=O)(=O)C2CC2)cnc1NC(CN1CCOCC1)c1ccc(OC(C)C)c(C)c1,ZWWCXWWHQPKCOQ-UHFFFAOYSA-N
-rxn:2:72660:150130,COc1cc(C(C)Nc2ncc(S(=O)(=O)C3CC3)cc2OC)ccc1OC(C)C1CCCN(C)C1,BMDUSOSLNUOHBO-UHFFFAOYSA-N
-rxn:2:73080:136378,COc1ccc(NC2CCN(CCOS(C)(=O)=O)CC2)cc1OS(=O)(=O)F,SAAZBJBYKRHKHV-UHFFFAOYSA-N
-rxn:2:73334:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3(C)CC3)C2(F)F)c1,KJHLTDIOXWBPGB-UHFFFAOYSA-N
-rxn:2:73334:147728,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3(C)CC3)C2(F)F)cn1,WWWUARNAWDQEEI-UHFFFAOYSA-N
-rxn:2:73334:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3(C)CC3)C2(F)F)nc1,HHSNKEKWIFDAIL-UHFFFAOYSA-N
-rxn:2:73458:108054,CCc1nc(NC(C)c2ccccc2OS(C)(=O)=O)c(C23CC4CC(CC(C4)C2)C3)o1,JOXVLQOYLKRSGA-UHFFFAOYSA-N
-rxn:2:73496:143973,CC1CC1c1ccc(C(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)N2CCCC2)o1,CWASEGCGXUXUCO-UHFFFAOYSA-N
-rxn:2:73657:133840,COCC1C(F)(F)C12CCC(NC(C)CCCCn1[nH]c(=O)ccc1=O)CC2,OKMYWROKTSQXGC-UHFFFAOYSA-N
-rxn:2:73759:71125,CCn1ncc(C#CCO[Si](C)(C)C)c1C(C)NCC1(n2cncn2)CCS(=O)(=O)CC1,QUYMKTBWUSEZQD-UHFFFAOYSA-N
-rxn:2:73779:155591,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NCC3(N4CCC(N(C)C)CC4)CCN(C)C3)nc2)nc1,GNUZWIIKFCUNRV-UHFFFAOYSA-N
-rxn:2:73779:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2(N3CCC(N(C)C)CC3)CCN(C)C2)cn1,UZPTZKAJDMXTIT-UHFFFAOYSA-N
-rxn:2:74043:126600,Cc1ccc(C(C)Nc2ccc(N3CCN(C4COC4)CC3C)cn2)c(OS(=O)(=O)F)c1,GWWCWGDMASTZCH-UHFFFAOYSA-N
-rxn:2:74153:136425,Cc1nc(N2CCN(C)CC2)sc1C(C)Nc1cccnc1N1CCC(N(C)C)CC1,IGPZGKDNFYCUFO-UHFFFAOYSA-N
-rxn:2:74461:117927,COc1ccc(C(C)NCc2ccc(CN3CCS(=O)(=O)CC3)o2)cc1OC1(C)CCN(C)CC1,LHEMVZVCVHHETR-UHFFFAOYSA-N
-rxn:2:74979:168741,CC(=O)c1ccc(C)c(C2C(CSC(C)Nc3ccnc(CN(C)C4CCN(C)C4)n3)C2(F)F)c1,KQVHDQRBOSRBSU-UHFFFAOYSA-N
-rxn:2:75070:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN1CC(C)(C)C1,JCVMQJYMADNPII-UHFFFAOYSA-N
-rxn:2:75105:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN1CCN(C)CC1,AGONTHPNZZNNBB-UHFFFAOYSA-N
-rxn:2:75631:151346,COc1ccc(C(NCC(F)(F)CN2CCCOCC2)c2cnc(N=CN(C)C)s2)cc1,WKSUQISPHGWQIH-UHFFFAOYSA-N
-rxn:2:75907:77762,CC(NC12CC3CC(CC(C3)C1)CC2C)c1coc(COS(C)(=O)=O)n1,XIIFNNDFTLPXKE-UHFFFAOYSA-N
-rxn:2:75953:149788,CCS(=O)(=O)C1(CNC(C)c2cccc(-c3ccnc(N4CCOCC4)c3)n2)CCOCC1,AZCKDLNUXQOBAI-UHFFFAOYSA-N
-rxn:2:75953:149971,CCS(=O)(=O)C1(CNC(C)c2cc(-c3ccnc(N4CCN(C)CC4)c3)ccn2)CCOCC1,GLHGXHXREAGVLN-UHFFFAOYSA-N
-rxn:2:75953:159711,CCS(=O)(=O)C1(CNC(C)c2ccc(-c3ccnc(N4CCOCC4)c3)cn2)CCOCC1,ZYIBRSGCJCSSIA-UHFFFAOYSA-N
-rxn:2:76057:152707,COc1ccc(C(C)NCC2(CN(C)C3CCS(=O)(=O)C3)CCC2)cc1-c1cc(=O)[nH]c(=O)[nH]1,JNVIUUBOKKHYES-UHFFFAOYSA-N
-rxn:2:76189:83028,CC(CN1CCC(N(C)C)CC1)NC(C)c1ccn(C(C)C2CC2)n1,ODDIYJSYACSMTM-UHFFFAOYSA-N
-rxn:2:76214:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3cnc(N4CCCCC4)nc3N(C)C)C2(F)F)c1,NRKVTUDQPZFAKH-UHFFFAOYSA-N
-rxn:2:76214:144270,CC(=O)c1cccc(C2C(CSC(C)Nc3cnc(N4CCCCC4)nc3N(C)C)C2(F)F)n1,JXMJQLKXNGLCAK-UHFFFAOYSA-N
-rxn:2:76214:147728,CC(=O)c1ccc(C2C(CSC(C)Nc3cnc(N4CCCCC4)nc3N(C)C)C2(F)F)cn1,QBGRTWPLGUZDNL-UHFFFAOYSA-N
-rxn:2:76420:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3CCCC3)C2(F)F)nc1,USQKCGQZPCWCQG-UHFFFAOYSA-N
-rxn:2:76663:143751,COc1cccc(-c2ccn(C3COC3)n2)c1C(C)NCC(C)(C)CS(=O)(=O)C1CCCN(C)C1,SDRQPMLILYADHE-UHFFFAOYSA-N
-rxn:2:76797:147466,COc1c(-c2ccn(C3COC3)n2)cccc1C(C)NCC1(OC(C)C)CS(=O)(=O)C1,LTYRYZDURQXHKF-UHFFFAOYSA-N
-rxn:2:76797:163666,COc1cc(-c2ccnc(OC)c2OC)cnc1C(C)NCC1(OC(C)C)CS(=O)(=O)C1,VWRZNRVUWQAPDI-UHFFFAOYSA-N
-rxn:2:76949:141971,CN(C)CCn1nc(CC(C)(C)C)cc1NC1CCC2(CC1)C(F)(F)C21CC1,SRNJQLDQMCSCME-UHFFFAOYSA-N
-rxn:2:77412:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1C(c2ccccc2N(C)C)C1(F)F,QNZSNZBTSDHXCH-UHFFFAOYSA-N
-rxn:2:77993:147883,COc1ccccc1C(F)(F)CC(C)(C)NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,RDZVEDYDMRTJPO-UHFFFAOYSA-N
-rxn:2:78105:104192,Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC1CC(C[Si](C)(C)C)C12CCC2,SQYJDPLLLQLPDR-YBXZHIRMSA-N
-rxn:2:78105:114613,CN(c1ncc(NC2CC(C[Si](C)(C)C)C23CCC3)cn1)[C@@H]1COC[C@H]1F,ZFTCJMVIPOJYLO-FZBQFSLMSA-N
-rxn:2:78105:115901,Cn1nccc1CN1C[C@@H](F)C[C@H]1CNC1CC(C[Si](C)(C)C)C12CCC2,ZTDUTUGDYNIKCM-HECZYDGTSA-N
-rxn:2:78105:119511,CN(c1ccnc(NC2CC(C[Si](C)(C)C)C23CCC3)n1)[C@@H]1COC[C@H]1F,UTHKPERSWWTDIH-JCCCHCCOSA-N
-rxn:2:78105:85426,CN(C)c1ncc(C(F)(F)CNC2CC(C[Si](C)(C)C)C23CCC3)cn1,TXXVYRGSSBTDRK-UHFFFAOYSA-N
-rxn:2:78546:117066,CC(NCc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)[nH]1)c1ccc(OS(=O)(=O)[O-])cc1,JGFXGEVWKFSIAV-UHFFFAOYSA-M
-rxn:2:78662:140202,CC(NC1CC2CCC(C1)N2C1CCCCC1C)c1ccc(OS(C)(=O)=O)cc1,JXKMMKZCLSOYNQ-UHFFFAOYSA-N
-rxn:2:78949:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1c(C2CC2)cnn1C(C)C1CC1(F)F,FBPSAGTWEMJRKY-UHFFFAOYSA-N
-rxn:2:78973:143973,O=S1(=O)CCN(c2ccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)cn2)CC1,FTSSYIXOXCJXHK-UHFFFAOYSA-N
-rxn:2:79124:152707,COc1ccc(C(C)NCC2(S(=O)(=O)C3CCCC3)COC2)cc1-c1cc(=O)[nH]c(=O)[nH]1,WIJYJJPQBXGSEU-UHFFFAOYSA-N
-rxn:2:79331:147466,COc1c(-c2ccn(C3COC3)n2)cccc1C(C)NCC1(CCN(C)C)CC(F)(F)C1,QMROAGYAOMEIIF-UHFFFAOYSA-N
-rxn:2:79331:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(CCN(C)C)CC(F)(F)C1,RAFNGWRNBKUENT-UHFFFAOYSA-N
-rxn:2:79649:147241,CC1CN(C2(CNC(C)c3ccc(OC4CS(=O)(=O)CC4N(C)C)cc3)CCSCC2)CCO1,YINGMXFAHKZGKA-UHFFFAOYSA-N
-rxn:2:79778:172545,CC(Nc1cc(=O)[nH]n1CCCN(C)C)c1ccc(C(F)(F)C(=N)SC2CCCC2)cn1,VSGNWFHAYCVGNY-UHFFFAOYSA-N
-rxn:2:80448:109246,CCC(NCC1CCCCN1C[Si](C)(C)C)C1(F)CC1,VQYPHXJWOQAIKA-UHFFFAOYSA-N
-rxn:2:80511:147883,CCC(F)(F)c1cccc(CC(C)(C)NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)c1,PQYVSJOUKUZALB-UHFFFAOYSA-N
-rxn:2:80813:147883,COc1ccc(C2C(CCNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)nn1,KGWDCEBMPFCZQV-UHFFFAOYSA-N
-rxn:2:81027:147883,COc1ccc(C)c(C2C(CCNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)c1,LWZNZXQMPIVWMT-UHFFFAOYSA-N
-rxn:2:82703:147883,COCC1CC(F)(F)CN1c1ccc(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)cc1,LBDIPWYOVLZUHZ-UHFFFAOYSA-N
-rxn:2:83028:128459,CC(C)CCn1cc(C(C)NC(C)CN2CCC(N(C)C)CC2)cn1,IBXDYBNNSRXOEG-UHFFFAOYSA-N
-rxn:2:83028:76189,CC(CN1CCC(N(C)C)CC1)NC(C)c1ccn(C(C)C2CC2)n1,ODDIYJSYACSMTM-UHFFFAOYSA-N
-rxn:2:83444:158106,CCCCCC(NCC(F)(F)c1cnn([C@@H]2CCCCO2)c1)c1cn(C)c(=O)n(C)c1=O,QCTBEUJAMPGEBY-GGYWPGCISA-N
-rxn:2:83444:161224,Cc1ccccc1C(NCC(F)(F)c1cnn([C@@H]2CCCCO2)c1)c1c[nH]c(C(=O)/N=C/N(C)C)c1,YXYUKGKACYARDS-VKWQFBPUSA-N
-rxn:2:83444:161879,Cc1ccccc1C(NCC(F)(F)c1cnn([C@@H]2CCCCO2)c1)c1c[nH]c(C(=O)N=CN(C)C)c1,YXYUKGKACYARDS-UXMRNZNESA-N
-rxn:2:83444:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCC(F)(F)c1cnn([C@@H]2CCCCO2)c1,AAWBJBJNTDOILZ-DAFXYXGESA-N
-rxn:2:84590:80298,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nc1cc(=O)[nH]n1CC1CC1(F)F)CC2,YTXAGKZSJTYFRP-UHFFFAOYSA-N
-rxn:2:84785:152707,CCC(CNC(C)c1ccc(OC)c(-c2cc(=O)[nH]c(=O)[nH]2)c1)CN1CCCC(F)(F)C1,VGOMRDLUVOKENT-UHFFFAOYSA-N
-rxn:2:84906:152807,COS(=O)(=O)c1ccc(-c2ccsc2C(C)NCC2CCCN(C3CCS(=O)(=O)C3)C2)cc1,IIXFJZORQXFFPP-UHFFFAOYSA-N
-rxn:2:84906:166857,Cc1ccc(C(CSc2n[nH]c(=O)[nH]c2=O)NCC2CCCN(C3CCS(=O)(=O)C3)C2)cc1,CMRNUIYBOMLPAY-UHFFFAOYSA-N
-rxn:2:84906:173268,COc1ccc(C(NCC2CCCN(C3CCS(=O)(=O)C3)C2)C(C)C)cc1-c1cccs1,IYGRRIMUBKUWNZ-UHFFFAOYSA-N
-rxn:2:85038:147883,COc1cc(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)ccc1N1CCC(F)(F)CC1,DMKXKQXIKGIQCJ-UHFFFAOYSA-N
-rxn:2:85426:110523,CN(C)c1ncc(C(F)(F)CNC2CC(C[Si](C)(C)C)C23CCCCC3)cn1,MMEWPZROUIKOIA-UHFFFAOYSA-N
-rxn:2:85426:144085,CCN1CCc2c(cc(C(C)NCC(F)(F)c3cnc(N(C)C)nc3)c(=O)n2C2CC2)C1,STSPCRIWFSJGPF-UHFFFAOYSA-N
-rxn:2:85571:114048,CCc1cc(OS(=O)(=O)F)ccc1NC1CCC(COS(C)(=O)=O)CC1,QEHPVZSBWNYCJB-UHFFFAOYSA-N
-rxn:2:85594:104192,Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC1CC(C[Si](C)(C)C)C12CCCC2,DHBBZPCSCCSVEO-NUVZVAJJSA-N
-rxn:2:85594:115901,Cn1nccc1CN1C[C@@H](F)C[C@H]1CNC1CC(C[Si](C)(C)C)C12CCCC2,LAOJZCQUVFGHRT-YWDUDDICSA-N
-rxn:2:85594:119511,CN(c1ccnc(NC2CC(C[Si](C)(C)C)C23CCCC3)n1)[C@@H]1COC[C@H]1F,LAYYEYATQGLJRX-QLOLRVAOSA-N
-rxn:2:85594:85426,CN(C)c1ncc(C(F)(F)CNC2CC(C[Si](C)(C)C)C23CCCC3)cn1,KNHFJONCSQPNEQ-UHFFFAOYSA-N
-rxn:2:85782:142505,CC(=O)c1ccc(C2C(CCSC(C)NC(C(C)C)C3CCC3)C2(F)F)nc1,SQFOGJXTYPXVPY-UHFFFAOYSA-N
-rxn:2:86004:147883,CCc1cnn(C(C)C2CC2(F)F)c1NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,BZCMFAZBOQXYFR-UHFFFAOYSA-N
-rxn:2:86068:148941,CC(CN1CCC(N2CCCCC2)CC1)NC(C)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,NCZHOAPLZAXSCQ-UHFFFAOYSA-N
-rxn:2:86068:156195,CC(CN1CCC(N2CCCCC2)CC1)NC(C)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,LLQSSUAFCYZRLX-UHFFFAOYSA-N
-rxn:2:86227:147883,Cc1ccsc1S(=O)(=O)CC(C)(C)CNC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,NUKUSOSQWRVMPV-UHFFFAOYSA-N
-rxn:2:86264:91160,CC(C)SCCn1ccc(NC2CCC(N(C)CCN(C)C)CC2)n1,KXUAHYIIVYWICP-UHFFFAOYSA-N
-rxn:2:87941:147883,COc1cnn(C(C)C2CC2(F)F)c1NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,BWCUJWOKGPQVQZ-UHFFFAOYSA-N
-rxn:2:88564:120460,CC(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])c1ccc(OC2COC2)nc1,YYKXJDSXVRRCGR-UHFFFAOYSA-M
-rxn:2:88564:155618,Cc1ccc(-n2c(NC3C4(C)CCC5C4(C)COC53S(=O)(=O)[O-])cc(=O)[nH]c2=O)c(C)c1,ZDPTXVISAHLYRS-UHFFFAOYSA-M
-rxn:2:88564:162488,Cc1ccc(C)c(-n2c(NC3C4(C)CCC5C4(C)COC53S(=O)(=O)[O-])cc(=O)[nH]c2=O)c1,VICNONHZVRMLAU-UHFFFAOYSA-M
-rxn:2:88564:168277,CC(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1(c2ccc3oc(=O)[nH]c3c2)COC1,SUTXGOZYDSLGGX-UHFFFAOYSA-M
-rxn:2:88564:168768,Cc1cccc(-n2c(NC3C4(C)CCC5C4(C)COC53S(=O)(=O)[O-])cc(=O)[nH]c2=O)c1C,AGAJPTFLKIIBPI-UHFFFAOYSA-M
-rxn:2:89147:143151,CC(NCC1CCN(C2CCN(C)CC2)CC1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,MXKNQMMGUZMYJN-UHFFFAOYSA-N
-rxn:2:89147:165256,CC(NCC1CCN(C2CCN(C)CC2)CC1)c1csc(-c2ccc(S(C)(=O)=O)cc2)c1,YARUYYBRABQFJW-UHFFFAOYSA-N
-rxn:2:89535:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCC1(S(C)(=O)=O)CCCCC1,HEENOQXIXTZGIG-UHFFFAOYSA-N
-rxn:2:89957:147883,CCc1ccc(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)c(N2CCCC(F)(F)C2)c1,KFOPURUOOLNXPW-UHFFFAOYSA-N
-rxn:2:90506:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccnc(CN(C)C3CCN(C)CC3)n1)CC2,UOJLABLXWFHQJV-UHFFFAOYSA-N
-rxn:2:90756:104848,COc1cc(NC(CN2CCCCC2)c2ccc(OC(C)C)c(C)c2)ncc1S(=O)(=O)C1CC1,AVRPUFTWDYNSQM-UHFFFAOYSA-N
-rxn:2:90859:165358,CC(N[C@H](Cn1nc(C2CC2)ccc1=O)C(C)C)SCC#Cc1ccc2c(c1)C(=O)CC2,KYIFDXFMDNKNKG-VCUSLETLSA-N
-rxn:2:91379:109813,CC(CC(c1ccncc1)N1CCOCC1)Nc1ccccc1N1CCC(N(C)C)CC1,BZNGNSPHLHCDSO-UHFFFAOYSA-N
-rxn:2:91379:110196,CC(Nc1ccccc1N1CCC(N(C)C)CC1)c1sc(CN2CCCCCC2)nc1C1CC1,USRPZIZAPQRMRF-UHFFFAOYSA-N
-rxn:2:91416:130514,CC1(C)C2CCC1(CS(=O)(=O)F)C(NCCC#CCN1CCSCC1)C2,RCFMIZIVHCFLEW-UHFFFAOYSA-N
-rxn:2:91681:126600,Cc1ccc(C(C)NCC2CN(C)CCN2CCC2CSC2)c(OS(=O)(=O)F)c1,WGXCHNMCFWKBTA-UHFFFAOYSA-N
-rxn:2:92559:148941,CC(NCCN1CCC(N2CCCC2)CC1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,CGAGVLNVBZUSQQ-UHFFFAOYSA-N
-rxn:2:92768:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCc1ccnc(N(C)C2CCN(C)CC2)c1,FYDOIXHPWUGTPA-UHFFFAOYSA-N
-rxn:2:92819:144085,CCN1CCc2c(cc(C(C)NCC(F)(F)c3n[nH]c4c3COCC4)c(=O)n2C2CC2)C1,OJCTZVAKVRMIGV-UHFFFAOYSA-N
-rxn:2:93724:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN(C)C1CC1,CDRCVEIDELFOPM-UHFFFAOYSA-N
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-rxn:3:65150:1920:66755,CSc1ncnc2c(-c3cn(CC4CC(=O)N(c5ccnc(C(=O)NCC(C)C6CCC(F)(F)CC6)c5)C4)nn3)csc12,ONMFMCAXDDOXMU-UHFFFAOYSA-N
-rxn:3:65150:1920:69871,CSc1ncnc2c(-c3cn(CC4CC(=O)N(c5ccnc(C(=O)NC(C)CC6CCC(F)(F)CC6)c5)C4)nn3)csc12,HXDZZZIXKKKFNE-UHFFFAOYSA-N
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-rxn:3:65150:6441:69013,Cn1cncc1-c1ccc(-c2cn(CC3CC(=O)N(c4ccnc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)c4)C3)nn2)s1,IZZQMNYSELOYKU-UHFFFAOYSA-N
-rxn:3:65150:6449:69013,C=CCCn1cc(-c2cn(CC3CC(=O)N(c4ccnc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)c4)C3)nn2)cn1,PYHYVACMZHHDCT-UHFFFAOYSA-N
-rxn:3:65401:1920:66222,CSc1ncnc2c(-c3cn(CC4CC(=O)N(c5cncc(C(=O)NC[C@@H](C)C6CC(F)C6)n5)C4)nn3)csc12,ZDSBXIHOOKLCQD-UKBSLWIUSA-N
-rxn:3:65401:1920:67645,CSc1ncnc2c(-c3cn(CC4CC(=O)N(c5cncc(C(=O)N[C@H]6C[C@H](OC(C)C)C6)n5)C4)nn3)csc12,PFQCWUQPUODZEI-ATBAIXNZSA-N
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-rxn:3:65401:6404:69013,CN1CCCN(c2ncc(-c3cn(CC4CC(=O)N(c5cncc(C(=O)NC6(C7CCS(=O)(=O)C7)CCCCC6)n5)C4)nn3)cn2)CC1,NAMNKRNBMWRBHP-UHFFFAOYSA-N
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-rxn:3:65401:6620:69013,N#Cc1cc2n(Cc3cn(CC4CC(=O)N(c5cncc(C(=O)NC6(C7CCS(=O)(=O)C7)CCCCC6)n5)C4)nn3)ccn2n1,QOTLBFRUFATDQM-UHFFFAOYSA-N
-rxn:3:65512:17887:69013,CCCc1ccnc(-n2nccc2-c2cn(CC3CC(=O)N(c4ncc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)o4)C3)nn2)c1,QAAISQWHKOKTKG-UHFFFAOYSA-N
-rxn:3:65549:1167:66021,Cc1cccn2cc(-c3cn(CC4CC(=O)N(c5nccnc5C(=O)NCC5(CS(C)(=O)=O)CCCC5)C4)nn3)nc12,HIDAXROUQHTHGZ-UHFFFAOYSA-N
-rxn:3:65549:179:69101,Cc1cnc(F)c(-c2cn(CC3CC(=O)N(c4nccnc4C(=O)N[C@H]4C[C@@H](OCC(C)C)C4)C3)nn2)c1,CVVVGDDBYIALBW-YQQQUEKLSA-N
-rxn:3:65549:1920:66355,CSc1ncnc2c(-c3cn(CC4CC(=O)N(c5nccnc5C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)C4)nn3)csc12,MNAYEXNTTVGEFU-UHFFFAOYSA-N
-rxn:3:65549:1920:67150,CSc1ncnc2c(-c3cn(CC4CC(=O)N(c5nccnc5C(=O)NC5CC(C)(C)OC5(C)C)C4)nn3)csc12,GMJLZABLPSAXRN-UHFFFAOYSA-N
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-rxn:3:65549:6382:67474,CCC1C(F)(F)C12CCC(NC(=O)c1nccnc1N1CC(Cn3cc(-c4nccc(N(C)C)n4)nn3)CC1=O)CC2,DQMHNZZOPYSPAO-UHFFFAOYSA-N
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-rxn:3:65549:6620:66355,N#Cc1cc2n(Cc3cn(CC4CC(=O)N(c5nccnc5C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)C4)nn3)ccn2n1,KEKWMHNLXZJNMD-UHFFFAOYSA-N
-rxn:3:65549:7075:69013,CN1CCN(c2ncccc2-c2cn(CC3CC(=O)N(c4nccnc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)CC1,ZERAULLFWIIBSN-UHFFFAOYSA-N
-rxn:3:65549:7141:66021,Cn1ncc2c(-c3cn(CC4CC(=O)N(c5nccnc5C(=O)NCC5(CS(C)(=O)=O)CCCC5)C4)nn3)cncc21,ORKDPOZHHLJHBT-UHFFFAOYSA-N
-rxn:3:65549:7663:66021,CC(C)c1nccc(-c2cn(CC3CC(=O)N(c4nccnc4C(=O)NCC4(CS(C)(=O)=O)CCCC4)C3)nn2)n1,IBSAYOTZPCXVQT-UHFFFAOYSA-N
-rxn:3:65549:9154:67474,CCC1C(F)(F)C12CCC(NC(=O)c1nccnc1N1CC(Cn3cc(C[n+]4ccn5cccc5c4C)nn3)CC1=O)CC2,MEAOOIURKIXHPY-UHFFFAOYSA-O
-rxn:3:65549:9309:69013,CCn1cc(-c2cn(CC3CC(=O)N(c4nccnc4C(=O)NC4(C5CCS(=O)(=O)C5)CCCCC4)C3)nn2)cn1,KPUQWNCHRIECFN-UHFFFAOYSA-N
-rxn:3:6868:59852:130089,O=C(NCCS(=O)(=O)[O-])C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(Cn4nc(-c5cnccn5)cc4C4CC4)nn3)C2)CCO1,LOECHQZUFVTNFZ-DUAOYYFSSA-M
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-rxn:3:7141:65512:111610,Cn1ncc2c(-c3cn(CC4CC(=O)N(c5ncc(C(=O)NC6(COS(=O)(=O)[O-])CCCC6)o5)C4)nn3)cncc21,QPVRNYUZMCULSP-UHFFFAOYSA-M
-rxn:3:7141:65549:111610,Cn1ncc2c(-c3cn(CC4CC(=O)N(c5nccnc5C(=O)NC5(COS(=O)(=O)[O-])CCCC5)C4)nn3)cncc21,WXHUMXPMAIACBQ-UHFFFAOYSA-M
-rxn:3:7141:65592:111610,Cn1ncc2c(-c3cn(CC4CC(=O)N(c5nnc(CC(=O)NC6(COS(=O)(=O)[O-])CCCC6)[nH]5)C4)nn3)cncc21,HGSWDKKSQHUWHU-UHFFFAOYSA-M
-rxn:3:7196:59852:117699,O=C(NCCCCS(=O)(=O)F)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccn5nccc5n4)nn3)C2)CCO1,PDNYBYKJPBORCU-FYQIFJIOSA-N
-rxn:3:7698:65512:111610,Cn1ccc2c(-c3cn(CC4CC(=O)N(c5ncc(C(=O)NC6(COS(=O)(=O)[O-])CCCC6)o5)C4)nn3)ncnc21,HBDFPVXNQITTED-UHFFFAOYSA-M
-rxn:3:7698:65549:111610,Cn1ccc2c(-c3cn(CC4CC(=O)N(c5nccnc5C(=O)NC5(COS(=O)(=O)[O-])CCCC5)C4)nn3)ncnc21,YRMRGOLXAPOHOT-UHFFFAOYSA-M
-rxn:3:8781:56432:130191,C=CCc1cn(CC2CC2c2ccc(F)c(CC(=O)NCSC3CCCCC3)c2)nn1,KJAMPTPHUYELFB-UHFFFAOYSA-N
-rxn:3:968:41093:83031,COc1ccc(C=CCn2cc(-c3ccnn3CC(F)F)nn2)cc1C(=O)NC1C(F)(F)C12CCC2,SIIZWPOKSHYWJD-UHFFFAOYSA-N
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-rxn:3:968:41107:83031,COc1cc(C=CCn2cc(-c3ccnn3CC(F)F)nn2)ccc1C(=O)NC1C(F)(F)C12CCC2,FPDCNUNPFBHAQO-UHFFFAOYSA-N
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-rxn:2:104086:163337,CCOc1ccccc1-c1cc(C(C)NCC2(C)CC(N(C)C)CC(C)(C)C2)c(=O)[nH]n1,OOQDBGCIDYGWDU-UHFFFAOYSA-N
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-rxn:2:104681:144085,CCN1CCc2c(cc(C(C)NCc3nccnc3OCC3CC(F)(F)C3)c(=O)n2C2CC2)C1,IOMKHOVVAFYKTF-UHFFFAOYSA-N
-rxn:2:105129:163337,CCOc1ccccc1-c1cc(C(C)NCC(C)(C)CN(C)C2CCN(C)C2)c(=O)[nH]n1,FDQSHOJMMNUKCH-UHFFFAOYSA-N
-rxn:2:105647:143818,CCN1CCN(C(c2cccnc2)C(C)NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CC1,QEJNBIWZZGBSHC-UHFFFAOYSA-N
-rxn:2:106143:155181,CCC(NCC1CCN(CCOC)CC1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1,HNGDZFYOYVYNPG-UHFFFAOYSA-N
-rxn:2:106180:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2nccc(N3CCN(C4CCC4)CC3)n2)cn1,BSBCDUVCAZBTPD-UHFFFAOYSA-N
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-rxn:2:108469:156200,CCOc1ncccc1-c1cc2c(cc1C(C)Nc1cccnc1N1CCC(C)(COC)CC1)OCCO2,CJADVKTVBYSNIN-UHFFFAOYSA-N
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-rxn:2:113378:150150,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cc(-c2ccc(=O)n(C(C)C)c2)ccn1,ZXSAZNNEQUVPHA-UHFFFAOYSA-N
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-rxn:2:113378:168910,CC(=O)n1ncc2c(-c3cccc(C(C)NOCC4CCN(C5CCS(=O)(=O)C5)CC4)n3)cccc21,DAKDMOHAKOBZKI-UHFFFAOYSA-N
-rxn:2:113527:139721,CC(C)CCC(NCc1ccnc(N2CCC(N(C)C)CC2)n1)C(C)C,UNGLGPKXBYCKTJ-UHFFFAOYSA-N
-rxn:2:113663:147883,CCc1cc(C(F)(F)C(C)(C)NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)ccc1OC,GOIVPBLPDXJSLK-UHFFFAOYSA-N
-rxn:2:114042:166098,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]c(N4CCCCC4)n3)C2(F)F)cc1C,AERYXIFFDDSZKO-UHFFFAOYSA-N
-rxn:2:114374:161224,Cc1ccccc1C(NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)c1c[nH]c(C(=O)/N=C/N(C)C)c1,MJMIAMFKDPMVHU-QSYJZMDFSA-N
-rxn:2:114374:161879,Cc1ccccc1C(NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)c1c[nH]c(C(=O)N=CN(C)C)c1,MJMIAMFKDPMVHU-ZLTNKZLJSA-N
-rxn:2:115161:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCC(F)(F)CN1CC(C)C(C)C1,JEWYWVKMWAUJGG-UHFFFAOYSA-N
-rxn:2:115454:162907,C=C=Cc1ccc(C(C)NC(C)C(c2cccnc2)N2CC(C)CC(C)C2)c(-c2cc(=O)[nH]cc2OC)c1,FXLMRNKENGPBCD-UHFFFAOYSA-N
-rxn:2:115952:147749,CCOc1ccc2ccccc2c1C(CN1CCCCC1)Nc1ccc(N2CCC(C)(COC)CC2)nc1,JLCQFTRCKLMXAF-UHFFFAOYSA-N
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-rxn:2:116846:144270,CC(=O)c1cccc(C2C(CSC(C)NC3(CN(C)C)CC3)C2(F)F)n1,ADQUEWXVMDRAGI-UHFFFAOYSA-N
-rxn:2:117396:142486,COCOc1ccc(C)cc1-c1ccnc(C(C)NCC2(F)CC(C)(C)CC(C)(C)C2)c1,YACWONQSVXHKSE-UHFFFAOYSA-N
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-rxn:2:117655:114498,CCC(CN1CCC(N(C)C)CC1)Nc1ccc(OCC(C)C)c(C)c1,MIJGHSUQHQIINH-UHFFFAOYSA-N
-rxn:2:117881:165086,CC(Nc1cnn(CC2(CS(C)(=O)=O)CCC2)c1)c1ccnc(-c2ccc(N3CCN(C)CC3)nc2)c1,DVUGUDGWZRYGPR-UHFFFAOYSA-N
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-rxn:2:137711:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCC(F)(F)CN1CC(C)OC(C)C1,BBAASZFUWPNKHH-UHFFFAOYSA-N
-rxn:2:138351:156687,CC(=O)n1ncc2c(-c3ncc(C(C)NCC4CCN(C5CCS(=O)(=O)C5)CC4)s3)cccc21,RUSBZGNLSGGTOR-UHFFFAOYSA-N
-rxn:2:138351:172674,Cc1cc(-c2ccc(C(NCC3CCN(C4CCS(=O)(=O)C4)CC3)C3CC3)cc2)cs1,YFJDBUPAQWUGFV-UHFFFAOYSA-N
-rxn:2:138988:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1ccc(CN2CCC(F)(F)C2)cc1OC,MMMMJSYBDDERQS-UHFFFAOYSA-N
-rxn:2:139174:153696,CCCC(NCC1CCN(CCOC)CC1(C)C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,HSFVNLJJKCOLIF-UHFFFAOYSA-N
-rxn:2:139262:165358,CC(NCc1ccnc(N2CCN(C(C)C)CC2)n1)SCC#Cc1ccc2c(c1)C(=O)CC2,JGEMCBOKXZBQMR-UHFFFAOYSA-N
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-rxn:2:140227:162580,CCC(NC1CCN(c2ccc(=O)n(C)n2)CC1)c1ccc(N2CCS(=O)(=O)CC2)nc1,BHMFNDMSCSUVHS-UHFFFAOYSA-N
-rxn:2:140359:152707,COc1ccc(C(C)NCC(F)(F)CN2CCSC(C)C2C)cc1-c1cc(=O)[nH]c(=O)[nH]1,AIAIKCAIFPJWEN-UHFFFAOYSA-N
-rxn:2:140570:147883,COc1cc(C2C(CCNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)ccc1C,AGRAYJDEUIHZSO-UHFFFAOYSA-N
-rxn:2:141249:144085,CCc1cc(CNC(C)c2cc3c(n(C4CC4)c2=O)CCN(CC)C3)n(CC2CC2(F)F)n1,HSAUQKLNHAWIKT-UHFFFAOYSA-N
-rxn:2:141299:160730,CCOc1ncccc1-c1cc2c(cc1OC)C(NCC(c1ccccn1)N(C)C1CCCN(C)C1)CC2,DRZDXRLCVQPIGP-UHFFFAOYSA-N
-rxn:2:142164:160431,Cc1ccc(S(=O)(=O)OC2CCCCCC2Nc2nn(C3CCS(=O)(=O)CC3)cc2C)cc1,GKZGYJPDDNSMIK-UHFFFAOYSA-N
-rxn:2:142169:144839,CC(C)C(CCN1CCCN(C)CC1)NC(c1ccc(-c2cc3[nH]ccc(=O)c3cn2)cc1)C(C)C,MZYHYRBQEYHSNV-UHFFFAOYSA-N
-rxn:2:147968:153570,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC(F)(F)c1cccc2[nH]c(=O)oc(=O)c12,JCLQHIBHTXTKNC-UHFFFAOYSA-N
-rxn:2:147968:167190,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(C)C(F)(F)c1ccc2[nH]c(=O)oc2c1,QALFLPFCTBQFEJ-UHFFFAOYSA-N
-rxn:2:148797:113027,CC(C)c1cccc(-n2[nH]c(=O)cc2NC2CCC(CCO[Si](C)(C)C(C)(C)C)CC2)n1,QQZRAFAOAWEEEF-UHFFFAOYSA-N
-rxn:2:148797:87147,CC(C)c1cccc(-n2[nH]c(=O)cc2NC2CCC(CCO[Si](C)(C)C(C)(C)C)C2)n1,DYEZGJOVCKFZPB-UHFFFAOYSA-N
-rxn:2:150901:156343,CC(=O)c1ccc(C2C(CCSC(C)NC(c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C3CC3)C2(F)F)cn1,LVBSTZMDALRLJX-UHFFFAOYSA-N
-rxn:2:161571:136625,CCS(=O)(=O)c1c(NC(C)c2cccc(OCCN3CCCCC3)c2)ccn(C2CC2)c1=O,WFIWQHLYKZDFLJ-UHFFFAOYSA-N
-rxn:2:165855:130197,CCC(NC(C)(COC)c1ccc2[nH]c(C3CC3)nc2c1)c1ccc(N2CCN(C)CC2)nc1C,MHKKWYQPYYNBOH-UHFFFAOYSA-N
-rxn:2:165855:134221,CCC(NC(C)(COC)c1ccc2[nH]c(C3CC3)nc2c1)c1cnc(N2CCN(C)CC2)cc1C,UVMJKQFIQVXEFS-UHFFFAOYSA-N
-rxn:2:167218:118088,CC(=O)c1sccc1C1C(CSC(C)NC(c2ccc3[nH]c(=O)oc3c2)C2CCCN2C)C1(F)F,KVJRRJNJHNKMFI-UHFFFAOYSA-N
-rxn:2:66244:136155,CC(C)Cn1ccc(C(C)NCC2(N(C)C)CCC(C(C)(C)C)CC2)n1,STPQHFAEXRTVAA-UHFFFAOYSA-N
-rxn:2:66276:94280,CCc1ccc(C(CCN2CCCCC2)NC[C@]23C[C@H]2CS(=O)(=O)C3)cc1,GKGPFJSNAWQKSQ-NHNZYLEHSA-N
-rxn:2:66748:166857,Cc1ccc(C(CSc2n[nH]c(=O)[nH]c2=O)NCC2CCSC23CC(C)S(=O)(=O)C3)cc1,PVSLSSVTLRSROS-UHFFFAOYSA-N
-rxn:2:66755:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC(C)C1CCC(F)(F)CC1,NTMYKWNVXIPDNO-UHFFFAOYSA-N
-rxn:2:68267:144920,COCCC1(NC(C)c2c(-c3cccc(OC(C)C)c3)cn[nH]c2=O)CCC(F)(F)CC1,FSOXGLSMASWGEJ-UHFFFAOYSA-N
-rxn:2:68267:148240,COCCC1(NC(C)c2cc(-c3cc(C)cc(C)c3OC)n[nH]c2=O)CCC(F)(F)CC1,GBELLRZVNYLDFT-UHFFFAOYSA-N
-rxn:2:68604:114541,CCC(NCCN1CC(COC)C2(CCC2)C1)C(c1cccnc1)C(C)C,PBJKAHITNQZDCJ-UHFFFAOYSA-N
-rxn:2:69008:168878,CN(C1CCS(=O)(=O)C1)C1CCCCC1NCCC#Cc1ccc(-c2ccccc2)s1,HCKAEDQMIHAIBO-UHFFFAOYSA-N
-rxn:2:69057:126586,CCCCN1CCN(c2ncccc2NC(C)c2c(C(C)C)cc(C(C)C)[nH]c2=O)CC1,MZAYEGAHQJPDLI-UHFFFAOYSA-N
-rxn:2:69057:133019,CCC1(Oc2cc(C(C)C)ncc2NC(C)c2c(C(C)C)cc(C(C)C)[nH]c2=O)COC1,NYSPJOVCFNZTCF-UHFFFAOYSA-N
-rxn:2:69057:75130,CCOCC1CCN(c2ncccc2NC(C)c2c(C(C)C)cc(C(C)C)[nH]c2=O)CC1,ZYARZERYGAGOAZ-UHFFFAOYSA-N
-rxn:2:69057:76846,Cc1cc(N2CCN(C)CC2)ncc1C(C)NC(C)c1c(C(C)C)cc(C(C)C)[nH]c1=O,GUEVZHJSNIPGIP-UHFFFAOYSA-N
-rxn:2:69820:146079,COCC(C)(CNC(C)c1ccccc1-c1c(C)[nH]c(=O)[nH]c1=O)N1CCCC(C)C1C,SNWNKZWXGHZMEH-UHFFFAOYSA-N
-rxn:2:71075:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC(F)(F)c1cn(C(C)C)nc1C,NWHMZRLHPNQZET-UHFFFAOYSA-N
-rxn:2:71118:104858,Cc1ccc(C(CCOC(C)C)NCC2(S(C)(=O)=O)CCOCC2)s1,JFJKQMBNFLCLPC-UHFFFAOYSA-N
-rxn:2:71118:71068,Cc1ccsc1C(CCOC(C)C)NCC1(S(C)(=O)=O)CCOCC1,VIPRRMZIVHHIFU-UHFFFAOYSA-N
-rxn:2:72102:139988,CCN1CCCCCC1CC(NC(c1cccc(S(C)(=O)=O)c1)C1CC1)c1cccs1,RBUWNSFEWKHJEL-UHFFFAOYSA-N
-rxn:2:72660:106016,COc1ccc(C(Nc2ncc(S(=O)(=O)C3CC3)cc2OC)C(C)N2CCCC2)cc1OC,JREIWZPMXJLEMS-UHFFFAOYSA-N
-rxn:2:73093:144085,CCc1nn(CC2CC2(F)F)cc1CNC(C)c1cc2c(n(C3CC3)c1=O)CCN(CC)C2,ZEXXADFFPLNMMW-UHFFFAOYSA-N
-rxn:2:73305:163337,CCOc1ccccc1-c1cc(C(C)NCC2(N3CCC(C)C3)CCS(=O)(=O)CC2)c(=O)[nH]n1,KTLAHYFMIWRKJW-UHFFFAOYSA-N
-rxn:2:73334:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3cc(=O)[nH]n3C(C)C3(C)CC3)C2(F)F)nc1,RSNKPQNGFDSZCV-UHFFFAOYSA-N
-rxn:2:73334:156343,CC(=O)c1ccc(C2C(CCSC(C)Nc3cc(=O)[nH]n3C(C)C3(C)CC3)C2(F)F)cn1,ZRSDFNSSDGEBCQ-UHFFFAOYSA-N
-rxn:2:73334:161548,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3(C)CC3)C2(F)F)cc1,USGFRNNJZLLMFW-UHFFFAOYSA-N
-rxn:2:73779:154594,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NCC3(N4CCC(N(C)C)CC4)CCN(C)C3)nc2)cn1,FWUVCISILSFNFS-UHFFFAOYSA-N
-rxn:2:74362:108398,CC(c1ccc(NC(COCC2CCOCC2)c2ccn(C)c2)cc1)N1CCOCC1(C)C,INEWLOGFMZPBER-UHFFFAOYSA-N
-rxn:2:74555:144270,CC(=O)c1cccc(C2C(CSC(C)N[C@]3(C)C[C@H](N(C)C)C3)C2(F)F)n1,YOGDGNQARXCMJR-VJNCGPOMSA-N
-rxn:2:76420:142505,CC(=O)c1ccc(C2C(CCSC(C)Nc3cc(=O)[nH]n3C(C)C3CCCC3)C2(F)F)nc1,HFPZFTCIGIILGP-UHFFFAOYSA-N
-rxn:2:76420:147728,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3CCCC3)C2(F)F)cn1,KXUKCGCDDWGUKS-UHFFFAOYSA-N
-rxn:2:76532:173041,CCCc1ccc(C(NCCCN2CCC3(CC2)CC(OC)CCO3)c2cnc3ccccc3c2)cc1,ZKTUTVPPCNZELX-UHFFFAOYSA-N
-rxn:2:76663:172680,CC(C)c1cc(C(NCC(C)(C)CS(=O)(=O)C2CCCN(C)C2)c2ccncc2)cc2c1OCCCC2,SJUBVPHSGMXSBI-UHFFFAOYSA-N
-rxn:2:76797:115846,CCSc1ccc(C(CN2CCCC2)NCC2(OC(C)C)CS(=O)(=O)C2)s1,GSMHVFHCPLUDBO-UHFFFAOYSA-N
-rxn:2:77257:99267,CC(C)C(c1cccs1)N1CCC(NC(c2cccc(S(C)(=O)=O)c2)C2CCC2)CC1,QFGZHDIJRDLKBD-UHFFFAOYSA-N
-rxn:2:77613:106196,COCC(NC(C)c1cnccc1OCCN1CCOCC1)c1ccc2c(c1)CCC(C)(C)O2,FRQPEAZNSHUCJL-UHFFFAOYSA-N
-rxn:2:77782:140359,COn1cc(C(C)NCC(F)(F)CN2CCSC(C)C2C)c(=O)[nH]c1=O,MRKYGTVMNSHEEQ-UHFFFAOYSA-N
-rxn:2:77968:142218,CCC(C)CN(C)CC1CC(C)CCC1Nc1cc([C@@H]2C[C@@H]2F)[nH]n1,XNZUJGJMWPVFOW-SBZGPEHISA-N
-rxn:2:78311:140318,COC(c1ccc(C(C)NC2CCCCC2OS(C)(=O)=O)cc1)C(C)C,FQKCFXQBLMFFBN-UHFFFAOYSA-N
-rxn:2:78632:80298,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nc1ncccc1OCC1CC(F)(F)C1)CC2,AMVCYYMYGWDENM-UHFFFAOYSA-N
-rxn:2:78650:147883,CCC(C)(C)C(NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C)c1ccc(OC)c(C)c1,NVTHNZYQBFCAFW-UHFFFAOYSA-N
-rxn:2:79124:100695,CC(C)CN(c1ncc(C(C)NCC2(S(=O)(=O)C3CCCC3)COC2)s1)C(C)C,JJOXWWHUSNAERK-UHFFFAOYSA-N
-rxn:2:79124:126600,Cc1ccc(C(C)NCC2(S(=O)(=O)C3CCCC3)COC2)c(OS(=O)(=O)F)c1,CQYXCWHZBCBNJT-UHFFFAOYSA-N
-rxn:2:79331:145799,CCc1c(C(NCC2(CCN(C)C)CC(F)(F)C2)c2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O,SPJFTBYKNZLBDW-UHFFFAOYSA-N
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-rxn:3:64902:6620:69013,N#Cc1cc2n(Cc3cn(CC4CC(=O)N(c5ccncc5C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)C4)nn3)ccn2n1,WIKDWYRBXDLDNX-UHFFFAOYSA-N
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-rxn:3:64921:6403:69013,CN1CCN(c2ncc(-c3cn(CC4CC(=O)N(c5cnccc5C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)C4)nn3)cn2)CC1,PIFPQXQSNWKWDM-UHFFFAOYSA-N
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-rxn:3:64954:6404:69013,CN1CCCN(c2ncc(-c3cn(CC4CC(=O)N(c5cnc(C(=O)NC6(C7CCS(=O)(=O)C7)CCCCC6)cn5)C4)nn3)cn2)CC1,IGMFDGSWBRXQGM-UHFFFAOYSA-N
-rxn:3:64954:6440:69013,Cn1cncc1-c1ccc(-c2cn(CC3CC(=O)N(c4cnc(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)cn4)C3)nn2)cc1,VDGDAHWHUMOHEW-UHFFFAOYSA-N
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-rxn:3:28708:59852:75266,Cc1cc(S(C)(=O)=O)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccnc4-n4ccnc4)nn3)C2)CCO1,GRXIYSXVNOJRAN-XBRHSWDSSA-N
-rxn:3:28708:59852:89218,CC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cccnc5-n5ccnc5)nn4)C3)CCO2)CCS(=O)(=O)C1,ABAAKAANDGHSJK-KLXXITQFSA-N
-rxn:3:31555:59852:81395,CC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5csc6ncccc56)nn4)C3)CCO2)CS(=O)(=O)C1,WZVKDVBXQJLTLH-XWATYHNTSA-N
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-rxn:3:32592:51307:67866,CN(C)c1cc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)N[C@@H]6CC67CCCCC7)c5c4)C3(F)F)nn2)ccn1,SJKJBJOLHXHBRW-JKJRPBHFSA-N
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-rxn:3:37650:59957:100889,COC1(CNC(=O)C[C@H](C)n2cc(CCSc3ncc4nccnc4n3)nn2)CCS(=O)(=O)CC1,OLQPPZASJQQGTR-HNNXBMFYSA-N
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-rxn:3:38287:59852:121343,Cc1sc(S(=O)(=O)F)cc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccn5cncc45)nn3)C2)CCO1,HEXKOAIHCLFVDJ-LJMNQJIDSA-N
-rxn:3:38328:59852:83860,Cc1nccnc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)Nc4cccc(OS(=O)(=O)F)c4)C3)C2)nn1,LMTAWFLSKLIUSW-ZSQVXAAVSA-N
-rxn:3:38328:59852:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccnc4C)nn3)C2)CCO1,AICGRDWAUFQYQR-GNPFLCDCSA-N
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-rxn:3:39005:59852:100539,Cc1ccc(S(=O)(=O)F)cc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnccn4)nn3)C2)CCO1,CYTANEKRIPIAIX-JGUPTHKFSA-N
-rxn:3:39005:59852:106561,Cc1cc(S(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnccn4)nn3)C2)CCO1,FPTINFOXHKJOLM-JGUPTHKFSA-N
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-rxn:3:40005:16782:77856,Cc1c(-c2cn(CC=Cc3sccc3C(=O)N[C@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,BAYNRTCHPAJQKT-SFHVURJKSA-N
-rxn:3:40005:16782:94016,Cc1c(-c2cn(CC=Cc3sccc3C(=O)NC[C@H]3CCC(F)(F)C3)nn2)cnn1CCN(C)C,VSCMSARVOQWFFU-SFHVURJKSA-N
-rxn:3:40057:23143:69782,CCN1CC(c2cn(CC=Cc3ccc(C(=O)NCC4(COC)CCOCC4)o3)nn2)C1,BLKXSUMYIHTXRF-UHFFFAOYSA-N
-rxn:3:40558:1251:120859,CC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCn3cc(-c4ccc(N(C)C)nc4)nn3)c1)CC2,HDGRYMQMGMBRRJ-UHFFFAOYSA-N
-rxn:3:40558:2850:120859,CC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCn3cc(-c4cccnc4N(C)C)nn3)c1)CC2,NEVWOTLHMPDEIL-UHFFFAOYSA-N
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-rxn:3:40558:32254:120859,CC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCn3cc(-c4cncc(N(C)C)c4)nn3)c1)CC2,SDZURXWNEQRGRW-UHFFFAOYSA-N
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-rxn:3:43044:1911:127163,C=CCN(C)Cc1cn(CC#Cc2nccc(C(=O)N[C@H]3CC[C@H](OC)CC3)c2F)nn1,LBSCSBGUPZSXBO-UAPYVXQJSA-N
-rxn:3:43044:23143:67969,CCN1CC(c2cn(CC#Cc3nccc(C(=O)NCC(OC)c4ccc5c(c4)OCCO5)c3F)nn2)C1,ZZUIGAVJXCLLPH-UHFFFAOYSA-N
-rxn:3:43044:23799:99561,CCOC1(CNC(=O)c2ccnc(C#CCn3cc(C4(n5cccn5)CCCC4)nn3)c2F)CS(=O)(=O)C1,QRVUBOIIXNCZDT-UHFFFAOYSA-N
-rxn:3:43044:28143:133958,CN(C)[C@H]1CC[C@@H](c2cn(CC#Cc3nccc(C(=O)Nc4scc5c4CCCC5)c3F)nn2)CC1,IAXQWVAYSUUMBR-PUZFROQSSA-N
-rxn:3:43044:31814:102708,CS[C@H]1C[C@H](NC(=O)c2ccnc(C#CCn3cc(C4(CN(C)C)CC4)nn3)c2F)C1,GHQKSZAUZWNKSS-WKILWMFISA-N
-rxn:3:43162:2259:68925,CCN1CCC(c2cn(CC#Cc3ccc(F)c(CC(=O)N[C@H]4C[C@@H]4C4CC4)c3)nn2)CC1,FIQKUQLTKSWVOB-VWNXMTODSA-N
-rxn:3:43162:23143:66475,CCN1CC(c2cn(CC#Cc3ccc(F)c(CC(=O)N[C@H]4CC[C@H](C)C4)c3)nn2)C1,HGUHWVSTGMAFLD-UWJYYQICSA-N
-rxn:3:43162:23143:68925,CCN1CC(c2cn(CC#Cc3ccc(F)c(CC(=O)N[C@H]4C[C@@H]4C4CC4)c3)nn2)C1,YBXKMNRBIFBVDC-IRLDBZIGSA-N
-rxn:3:43162:23158:69859,CCN1CCC(c2cn(CC#Cc3ccc(F)c(CC(=O)N[C@H]4CC[Se]C4)c3)nn2)C1,AEURXLIVFYYTIJ-IJHRGXPZSA-N
-rxn:3:44822:23143:70075,CCN1CC(c2cn(CCC#Cc3cc(C(=O)NCC4(OC)CCSC4)c(F)cn3)nn2)C1,FIRFBWLDFJWGLD-UHFFFAOYSA-N
-rxn:3:44824:1911:127163,C=CCN(C)Cc1cn(CCC#Cc2nccc(C(=O)N[C@H]3CC[C@H](OC)CC3)c2F)nn1,ZEAOSGVFSWNANL-KESTWPANSA-N
-rxn:3:44824:28143:110162,CC1CCC(F)C1NC(=O)c1ccnc(C#CCCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)c1F,DSWYLMKOISFMQI-PFVZQKCQSA-N
-rxn:3:44824:31814:141744,CC1CC(NC(=O)c2ccnc(C#CCCn3cc(C4(CN(C)C)CC4)nn3)c2F)C1,BDGALHGSOTVLBW-UHFFFAOYSA-N
-rxn:3:44824:38152:110162,CC1CCC(F)C1NC(=O)c1ccnc(C#CCCn2cc(C3(N(C)C)CC3)nn2)c1F,QNDTWGKZUHBLNC-UHFFFAOYSA-N
-rxn:3:44824:38306:125434,CCOC1(CNC(=O)c2ccnc(C#CCCn3cc(-c4nccnc4F)nn3)c2F)CCS(=O)(=O)C1,KUNIRDCZZFLLCJ-UHFFFAOYSA-N
-rxn:3:45154:16806:130458,CCc1c(-c2cn(-c3ccc(CC(=O)NC4CC(F)(F)C45CCC5)cc3)nn2)cnn1CCN(C)C,YSBFNDPTBXHGIM-UHFFFAOYSA-N
-rxn:3:45154:16848:94773,CN(C)CCn1ncc(-c2cn(-c3ccc(CC(=O)N[C@H]4C[C@@]5(CCC5(F)F)C4)cc3)nn2)c1C1CC1,RZFXKKZKDMOYAH-AEEMYVKYSA-N
-rxn:3:46342:2259:69859,CCN1CCC(c2cn(CCC=Cc3cc(C(=O)N[C@H]4CC[Se]C4)c(F)cn3)nn2)CC1,BZIYOGQUDAXSTD-IBGZPJMESA-N
-rxn:3:46343:38306:125434,CCOC1(CNC(=O)c2ccnc(C=CCCn3cc(-c4nccnc4F)nn3)c2F)CCS(=O)(=O)C1,FZSFOTCZTSXVPI-UHFFFAOYSA-N
-rxn:3:47746:17887:66389,CCCc1ccnc(-n2nccc2-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCCCC(OC)C5)cn(C5CC5)c4c3F)nn2)c1,XCVXIJZDGPFNTK-UHFFFAOYSA-N
-rxn:3:47746:17887:67381,CCCc1ccnc(-n2nccc2-c2cn(-c3c(F)cc4c(=O)c(C(=O)NCC5C[C@@H]6CCCC[C@H]6O5)cn(C5CC5)c4c3F)nn2)c1,IXVMYIWJTBVRPF-YOUQWXSSSA-N
-rxn:3:47746:17887:68555,CCCc1ccnc(-n2nccc2-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCCC(C(C)C)C5)cn(C5CC5)c4c3F)nn2)c1,NIBMUBNBODPHRM-UHFFFAOYSA-N
-rxn:3:47746:17887:69028,CCCc1ccnc(-n2nccc2-c2cn(-c3c(F)cc4c(=O)c(C(=O)NCC5CCCCC5CC)cn(C5CC5)c4c3F)nn2)c1,NXTNPTKORIZTLE-UHFFFAOYSA-N
-rxn:3:47746:32592:95489,CN(C)c1cc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CC[C@@H]5C5CCC5)cn(C5CC5)c4c3F)nn2)ccn1,FHORTJWBHFMPIU-AUSIDOKSSA-N
-rxn:3:47746:37896:105280,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5[C@@H]6CCCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)nc1,BPOXMGWSMLVXOQ-BZOKFPOPSA-N
-rxn:3:47746:5864:105280,CN(C)c1ccnc2ccc(-c3cn(-c4c(F)cc5c(=O)c(C(=O)N[C@H]6[C@@H]7CCCCC[C@@H]76)cn(C6CC6)c5c4F)nn3)cc12,BPSZOOLSYAYMDH-LHTQQALISA-N
-rxn:3:49127:6382:100874,CCOC(Cn1cc(-c2nccc(N(C)C)n2)nn1)C(=O)NCC1(OC)CS(=O)(=O)C1,GIUCGOUNFAPSQY-UHFFFAOYSA-N
-rxn:3:49499:6219:83031,CN(CCC#N)c1cc(-c2cn(C[C@H]3C[C@H](C(=O)NC4C(F)(F)C45CCC5)C3)nn2)ncn1,AQJLYEAMLYIXGQ-LEWLWEGZSA-N
-rxn:3:50032:2259:66552,CCN1CCC(c2cn(CC3C(c4scnc4C(=O)Nc4cc(OC)c(C)c(OC)c4)C3(F)F)nn2)CC1,YIKXQRRLPXUAAK-UHFFFAOYSA-N
-rxn:3:51049:17887:67866,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(C(=O)N[C@@H]5CC56CCCCC6)cc4OC)C3(F)F)nn2)c1,YCPBEHOZCAHKEI-HCAZQKKQSA-N
-rxn:3:51059:17887:66066,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cc(OC)cc(C(=O)N[C@@H]5CC56CCCC6)c4)C3(F)F)nn2)c1,IEYFFDOBUKIKRH-QRXISGLASA-N
-rxn:3:51060:17887:68017,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(C(=O)N[C@H]5C[C@]6(CCCO6)C5)c(OC)c4)C3(F)F)nn2)c1,BIRFNVFVGISWBB-ORWNXKNOSA-N
-rxn:3:51062:17887:66066,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cc(OC)ccc4C(=O)N[C@@H]4CC45CCCC5)C3(F)F)nn2)c1,RPBMSTBYXMTXJR-QRXISGLASA-N
-rxn:3:51063:17887:66066,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(OC)cc4C(=O)N[C@@H]4CC45CCCC5)C3(F)F)nn2)c1,XXNAKZRQGPQSQY-QRXISGLASA-N
-rxn:3:5463:42680:92433,C[Si](C)(C)CCONC(=O)c1ccc(C#CCn2cc(C3CC4(C3)CC(F)(F)C4)nn2)cn1,OJDCPSGMCLNPJD-UHFFFAOYSA-N
-rxn:3:5463:42688:92433,C[Si](C)(C)CCONC(=O)c1cc(C#CCn2cc(C3CC4(C3)CC(F)(F)C4)nn2)ccn1,SXPHNYVFXQDMKS-UHFFFAOYSA-N
-rxn:3:5474:41072:91267,CN(C)c1ncc(-c2cn(CC=Cc3c(F)cc(C(=O)N[C@@H]4C[C@H]4C4CCCCC4)cc3F)nn2)cn1,UQVVYPFHKXZCHN-XUZZJYLKSA-N
-rxn:3:5474:47746:105828,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC[C@H]5CC[C@H](C)CC5)cn(C5CC5)c4c3F)nn2)cn1,MIEMQQWJEVGCCK-QAQDUYKDSA-N
-rxn:3:5474:47746:107252,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CCO[C@H]5C5CC5)cn(C5CC5)c4c3F)nn2)cn1,RLHFJUQNTSIMNI-IBVKSMDESA-N
-rxn:3:5474:47746:116055,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC[C@@H]5C[C@H]5C5CCC5)cn(C5CC5)c4c3F)nn2)cn1,IMWYVYLFODEMOS-LPHOPBHVSA-N
-rxn:3:5474:47746:118980,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5C[C@@H]6OCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)cn1,CDGYYJHCMYKIGE-CNDZOEFASA-N
-rxn:3:5474:47746:127275,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC[C@@H]5C[C@H]5C5CCCCC5)cn(C5CC5)c4c3F)nn2)cn1,LSWMEQQUXKIXBC-RXVVDRJESA-N
-rxn:3:5474:47746:71785,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC[C@H]5CC[C@@H]6CCC[C@@H]65)cn(C5CC5)c4c3F)nn2)cn1,BDMWEGSBPNNEFX-QKLQHJQFSA-N
-rxn:3:5474:47746:75520,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5C[C@@H]6CSC[C@H]6C5)cn(C5CC5)c4c3F)nn2)cn1,DIDQAKWLVSBCQY-HUUCEWRRSA-N
-rxn:3:5474:47746:86621,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5C[C@H]6CSC[C@@H]6C5)cn(C5CC5)c4c3F)nn2)cn1,DIDQAKWLVSBCQY-GJZGRUSLSA-N
-rxn:3:5474:47746:90884,CN(C)c1ncc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5CCCC[C@@H](F)C5)cn(C5CC5)c4c3F)nn2)cn1,NPNTZVGUYCRTRU-SJORKVTESA-N
-rxn:3:5474:51307:72341,CN(C)c1ncc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)N[C@@H]6CCCC7(CC7)C6)c5c4)C3(F)F)nn2)cn1,PINVPCKUDJGWJV-TWEIKEKHSA-N
-rxn:3:55465:1911:86559,C=CCN(C)Cc1cn(CC2CC2c2ncc(C(=O)NC3C(F)(F)C34CC4)s2)nn1,PJLFVJHLLSKGLE-UHFFFAOYSA-N
-rxn:3:55883:16977:83860,CCn1ncc(-c2cn(CC3CC3c3cccc(C(=O)Nc4cccc(OS(=O)(=O)F)c4)n3)nn2)c1C1CCCCC1,NDPGOVHTADQACJ-UHFFFAOYSA-N
-rxn:3:56119:17887:66436,CCCc1ccnc(-n2nccc2-c2cn(CC3CC3c3ccc(C(=O)N[C@H]4CCCC[C@H](OC)C4)c(F)c3)nn2)c1,VSJJEIYBTNTDJA-XRKSGAARSA-N
-rxn:3:56120:17887:66436,CCCc1ccnc(-n2nccc2-c2cn(CC3CC3c3cc(F)cc(C(=O)N[C@H]4CCCC[C@H](OC)C4)c3)nn2)c1,HRHMOTOEIFJPRQ-RUJLQLILSA-N
-rxn:3:56299:17887:66436,CCCc1ccnc(-n2nccc2-c2cn(CC3CC3c3nccc(C(=O)N[C@H]4CCCC[C@H](OC)C4)c3F)nn2)c1,DLCRUHWKJHTFNC-PTQUMOBTSA-N
-rxn:3:56475:17887:67866,CCCc1ccnc(-n2nccc2-c2cn(CC3CC3c3cc(F)c(F)cc3C(=O)N[C@@H]3CC34CCCCC4)nn2)c1,BNSOHGVIYQCMJP-UQIPPQJZSA-N
-rxn:3:56510:17887:67806,CCCc1ccnc(-n2nccc2-c2cn(CC3CC3c3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)c(OC)c3)nn2)c1,OPBFVVKFJZLZAI-QJOWDPPASA-N
-rxn:3:57295:1911:130458,C=CCN(C)Cc1cn(CCCc2sccc2C(=O)NC2CC(F)(F)C23CCC3)nn1,HUGQGJJZWMRHSL-UHFFFAOYSA-N
-rxn:3:57297:1911:130458,C=CCN(C)Cc1cn(CCCc2cscc2C(=O)NC2CC(F)(F)C23CCC3)nn1,BKTWSQPVLIACGC-UHFFFAOYSA-N
-rxn:3:58230:28143:110162,CC1CCC(F)C1NC(=O)c1ccnc(CCCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)c1F,FVZLAMCBIGQGBM-OUHLSAAZSA-N
-rxn:3:58230:31814:110162,CC1CCC(F)C1NC(=O)c1ccnc(CCCn2cc(C3(CN(C)C)CC3)nn2)c1F,DJMGXNSHQCNYHR-UHFFFAOYSA-N
-rxn:3:59446:17879:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1C[C@@H](n2cc(-c3nccn3C3CCSC3)nn2)C1,ACJIUEVWITYDFR-FHQBBSRKSA-N
-rxn:3:59446:20057:69156,CCc1cc(-c2cn([C@H]3C[C@@H](C(=O)NC(CC)c4ccc(OC)c(C)c4)C3)nn2)n(CC2CC2(F)F)n1,OBCAKZVGOYMBPD-GABSUYOYSA-N
-rxn:3:59446:20057:70057,CCc1cc(-c2cn([C@H]3C[C@@H](C(=O)N[C@H]4COc5cccc(OC)c5C4)C3)nn2)n(CC2CC2(F)F)n1,HHKWUGFPWVTGAV-VBZNHOPUSA-N
-rxn:3:59842:17879:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1CC=C[C@H](n2cc(-c3nccn3C3CCSC3)nn2)C1,PDCQDZFXEODBMD-SPIBDARASA-N
-rxn:3:59842:17879:84946,O=C(NCc1ccc(OS(=O)(=O)F)cc1)[C@H]1CC=C[C@H](n2cc(-c3nccn3C3CCSC3)nn2)C1,OPTISGRTYQHSOO-ADUPEVMXSA-N
-rxn:3:59842:17879:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1CC=C[C@H](n2cc(-c3nccn3C3CCSC3)nn2)C1,RGQONBOYVGIYGL-ADUPEVMXSA-N
-rxn:3:59842:2850:99561,CCOC1(CNC(=O)[C@H]2CC=C[C@H](n3cc(-c4cccnc4N(C)C)nn3)C2)CS(=O)(=O)C1,LIPNUFPTRGWBAM-IRXDYDNUSA-N
-rxn:3:59842:5474:99561,CCOC1(CNC(=O)[C@H]2CC=C[C@H](n3cc(-c4cnc(N(C)C)nc4)nn3)C2)CS(=O)(=O)C1,QXHQAGXEDDNXPD-RDJZCZTQSA-N
-rxn:3:59842:6382:125434,CCOC1(CNC(=O)[C@H]2CC=C[C@H](n3cc(-c4nccc(N(C)C)n4)nn3)C2)CCS(=O)(=O)C1,CNTDWUBRNYYKJX-ASCMOBCVSA-N
-rxn:3:59842:6382:85579,CCOC1(CNC(=O)[C@H]2CC=C[C@H](n3cc(-c4nccc(N(C)C)n4)nn3)C2)CCCS(=O)(=O)C1,IMLQMHUQPPCADA-JOHXPNBHSA-N
-rxn:3:59842:6382:99561,CCOC1(CNC(=O)[C@H]2CC=C[C@H](n3cc(-c4nccc(N(C)C)n4)nn3)C2)CS(=O)(=O)C1,RRUCABMGYYMTSQ-HOTGVXAUSA-N
-rxn:3:59852:17887:69106,CCCc1ccnc(-n2nccc2-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC(F)(F)c6cc(OC)ccc65)C4)C3)nn2)c1,SWRJBRLZJRIRIN-YFHNZCRPSA-N
-rxn:3:59852:27797:81395,CC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cccc6nccnc56)nn4)C3)CCO2)CS(=O)(=O)C1,WIWXWDFUZWARPX-SCCQQYQZSA-N
-rxn:3:59852:28705:100539,Cc1ccc(S(=O)(=O)F)cc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccnc4N4CCC4)nn3)C2)CCO1,QFVNQPLNNDRDHK-UNNWOSPESA-N
-rxn:3:59852:38287:117699,O=C(NCCCCS(=O)(=O)F)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccn5cncc45)nn3)C2)CCO1,HAFOLJRFRIXZGD-FYQIFJIOSA-N
-rxn:3:59852:38287:84946,O=C(NCc1ccc(OS(=O)(=O)F)cc1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccn5cncc45)nn3)C2)CCO1,JCGIQVQUYFVZHI-GNPFLCDCSA-N
-rxn:3:59852:38306:106561,Cc1cc(S(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccnc4F)nn3)C2)CCO1,WNEPVPFCJUTIHD-LJMNQJIDSA-N
-rxn:3:59852:38306:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccnc4F)nn3)C2)CCO1,BQKZGGLCFJIBLT-HPGOHTHCSA-N
-rxn:3:59852:6382:100539,Cc1ccc(S(=O)(=O)F)cc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccc(N(C)C)n4)nn3)C2)CCO1,PBAVRSWQVCOPMG-SCCQQYQZSA-N
-rxn:3:59852:6392:117699,O=C(NCCCCS(=O)(=O)F)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccn5nccc45)nn3)C2)CCO1,XNQKIXARFJFMNB-FYQIFJIOSA-N
-rxn:3:59852:6392:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccn5nccc45)nn3)C2)CCO1,MVINQZMWTSBQPP-RZDHNTQGSA-N
-rxn:3:59852:6392:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccn5nccc45)nn3)C2)CCO1,CNWBIZHCLQIIFY-DUTPZCPISA-N
-rxn:3:59852:6392:84946,O=C(NCc1ccc(OS(=O)(=O)F)cc1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccn5nccc45)nn3)C2)CCO1,XXDIVANJQPJOJE-GNPFLCDCSA-N
-rxn:3:59852:6443:100874,COC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cnn(-c6ncccn6)c5)nn4)C3)CCO2)CS(=O)(=O)C1,NBHXKSTUJFDNPE-CJHNXZANSA-N
-rxn:3:59852:6443:92547,O=C(Nc1ccc(OS(=O)(=O)F)cc1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(-c5ncccn5)c4)nn3)C2)CCO1,LXKHQUDCHINPIW-MMCXAJBUSA-N
-rxn:3:59852:6445:92547,O=C(Nc1ccc(OS(=O)(=O)F)cc1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(-c5cnccn5)c4)nn3)C2)CCO1,DWMKIDSQITUWQQ-MMCXAJBUSA-N
-rxn:3:59852:6446:100539,Cc1ccc(S(=O)(=O)F)cc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(-c5ccccn5)c4)nn3)C2)CCO1,NBNVOVCNRXENJE-XFOQRXRMSA-N
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-rxn:3:51307:17887:67866,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc5[nH]nc(C(=O)N[C@@H]6CC67CCCCC7)c5c4)C3(F)F)nn2)c1,MANMRGKRXBAHCM-IPEXIJNSSA-N
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-rxn:3:59842:23808:84946,O=C(NCc1ccc(OS(=O)(=O)F)cc1)[C@H]1CC=C[C@H](n2cc(C3(n4cncn4)CCCC3)nn2)C1,VJQNIOBQEDMULK-OALUTQOASA-N
-rxn:3:59842:6629:99561,CCOC1(CNC(=O)[C@H]2CC=C[C@H](n3cc(Cn4ccn5nc(-c6cnccn6)cc45)nn3)C2)CS(=O)(=O)C1,AJFNXFRIXPFRDG-ICSRJNTNSA-N
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-rxn:3:60078:23732:86265,COC1(CNC(=O)c2cc3n(CCn4cc([C@H]5C[C@@H](n6ccnn6)C5)nn4)ccn3n2)CCCS(=O)(=O)C1,ACQMENWAVFAPNO-NHJWOMDBSA-N
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-rxn:3:60078:23799:125434,CCOC1(CNC(=O)c2cc3n(CCn4cc(C5(n6cccn6)CCCC5)nn4)ccn3n2)CCS(=O)(=O)C1,KEWCPMSFDREUJO-UHFFFAOYSA-N
-rxn:3:60078:28705:86265,COC1(CNC(=O)c2cc3n(CCn4cc(-c5cccnc5N5CCC5)nn4)ccn3n2)CCCS(=O)(=O)C1,GRISLTLBDAPWJX-UHFFFAOYSA-N
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-rxn:3:60078:6404:100874,COC1(CNC(=O)c2cc3n(CCn4cc(-c5cnc(N6CCCN(C)CC6)nc5)nn4)ccn3n2)CS(=O)(=O)C1,XZXFTSCWYWSREQ-UHFFFAOYSA-N
-rxn:3:60078:6404:101562,CN1CCCN(c2ncc(-c3cn(CCn4ccn5nc(C(=O)NCC6(C)CS(=O)(=O)CCO6)cc45)nn3)cn2)CC1,BMTQMKLVNSIVMM-UHFFFAOYSA-N
-rxn:3:60078:6404:109946,COC1(CNC(=O)c2cc3n(CCn4cc(-c5cnc(N6CCCN(C)CC6)nc5)nn4)ccn3n2)CCS(=O)(=O)C1,PYLBZCFABZCBKZ-UHFFFAOYSA-N
-rxn:3:60580:27797:108806,C=CC[C@@H](C(=O)NCC1CCC2(CCS(=O)(=O)CC2)O1)n1cc(-c2cccc3nccnc23)nn1,GHWCSMWGRKHHOI-LFABVHOISA-N
-rxn:3:60580:27942:108806,C=CC[C@@H](C(=O)NCC1CCC2(CCS(=O)(=O)CC2)O1)n1cc(-c2cnccc2N(C)C)nn1,DMEBRUYQWRQXOT-LFABVHOISA-N
-rxn:3:60580:37896:108806,C=CC[C@@H](C(=O)NCC1CCC2(CCS(=O)(=O)CC2)O1)n1cc(-c2ccc(N(C)C)cn2)nn1,DSOWBQVTYINQMH-ZYZRXSCRSA-N
-rxn:3:60580:6404:100874,C=CC[C@@H](C(=O)NCC1(OC)CS(=O)(=O)C1)n1cc(-c2cnc(N3CCCN(C)CC3)nc2)nn1,MQSZFUHMWAAUIB-IBGZPJMESA-N
-rxn:3:60580:7196:113048,C=CC[C@@H](C(=O)NCC1CCOC12CCS(=O)(=O)CC2)n1cc(-c2ccn3nccc3n2)nn1,CUUAFOFVBNLOGO-CVMIBEPCSA-N
-rxn:3:60582:27797:108806,C=CC[C@H](C(=O)NCC1CCC2(CCS(=O)(=O)CC2)O1)n1cc(-c2cccc3nccnc23)nn1,GHWCSMWGRKHHOI-FBLFFUNLSA-N
-rxn:3:60582:37896:108806,C=CC[C@H](C(=O)NCC1CCC2(CCS(=O)(=O)CC2)O1)n1cc(-c2ccc(N(C)C)cn2)nn1,DSOWBQVTYINQMH-BDPMCISCSA-N
-rxn:3:60582:7196:113048,C=CC[C@H](C(=O)NCC1CCOC12CCS(=O)(=O)CC2)n1cc(-c2ccn3nccc3n2)nn1,CUUAFOFVBNLOGO-LRTDYKAYSA-N
-rxn:3:64276:38287:84946,O=C1CC(Cn2cc(-c3nccn4cncc34)nn2)CN1[C@H]1CC[C@@H](C(=O)NCc2ccc(OS(=O)(=O)F)cc2)CC1,TZTYMKZFJZGSBR-SEJPIABJSA-N
-rxn:3:65549:6644:86265,COC1(CNC(=O)c2nccnc2N2CC(Cn3cc(Cn4ccn5nccc45)nn3)CC2=O)CCCS(=O)(=O)C1,POROHRKUWJAMNX-UHFFFAOYSA-N
-rxn:2:100224:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(n2ccnn2)CCS(=O)(=O)CC1,UKJYOKBIWYREDJ-UHFFFAOYSA-N
-rxn:2:100525:153696,CCCC(NCC(F)(F)CN1CCCC(C)C1C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,GFYGPAHWUUDBQO-UHFFFAOYSA-N
-rxn:2:101709:126626,COC(NC(c1ccc2c(c1)OCCCO2)C1CCCCC1)c1cc2c(cc1C)OCO2,UAZDBLWDGPUKOC-UHFFFAOYSA-N
-rxn:2:101898:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCC2CN(C)CCCN2C2CC2)cn1,WWYJRJQXSIEAIX-UHFFFAOYSA-N
-rxn:2:103025:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1C(c2cccc(N(C)C)c2)C1(F)F,RLEKEDYHKUNCTB-UHFFFAOYSA-N
-rxn:2:103475:161879,CCN1CCN(c2ncc(C(C)NC(c3c[nH]c(C(=O)N=CN(C)C)c3)c3ccccc3C)cc2C)CC1,FFDWGVOWGLAHAX-UHFFFAOYSA-N
-rxn:2:104322:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCc1c2c(nn1CC1CC1(F)F)CC1CC21,BWAYSERCEMZDHO-UHFFFAOYSA-N
-rxn:2:104524:152707,COc1ccc(C(C)NCCCN2CCC(C(C)(F)F)CC2)cc1-c1cc(=O)[nH]c(=O)[nH]1,AANAYGQEQQFDHX-UHFFFAOYSA-N
-rxn:2:104524:153696,CCCC(NCCCN1CCC(C(C)(F)F)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,LPTYAIHTCNQIIR-UHFFFAOYSA-N
-rxn:2:105331:118922,CCC(NC1CCC([Si](C)(C)C)CC1)C(C)N(C)C1CCCCCC1,MXXQBXNSFUHLNO-UHFFFAOYSA-N
-rxn:2:105350:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCc1ccnc(N2CCS(=O)(=O)CC2)n1,NKNQRABMCAKUGP-UHFFFAOYSA-N
-rxn:2:106288:148296,Cc1nc(C23CC4CC(CC(C4)C2)C3)n(C)c1NC1CCC(c2ccc(S(C)(=O)=O)cc2)CC1,NNRLGIXYJBGXSD-UHFFFAOYSA-N
-rxn:2:106789:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1(n2cccn2)CCS(=O)(=O)CC1,OMDGBMJCHVGEJZ-UHFFFAOYSA-N
-rxn:2:107154:146538,COc1ccc(C(NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,SNTXHCQEXDAGGR-NTETXRHWSA-N
-rxn:2:107154:150884,COc1ccc(C(NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)c2c[nH]c(C(=O)/N=C/N(C)C)c2)cc1,SNTXHCQEXDAGGR-LQDAOUTMSA-N
-rxn:2:107304:145220,CC(C)n1c(C(NCC2(N(C)C)CCC(F)(F)CC2)c2ccco2)nc2c1CCCC2,HLWMDTPONAZFSC-UHFFFAOYSA-N
-rxn:2:107304:163818,CC(C)n1c(C(NCC2(N(C)C)CCC(F)(F)CC2)c2ccncc2)nc2c1CCCC2,PRKSYMHMZBSULX-UHFFFAOYSA-N
-rxn:2:107439:144472,CCCC(NC(CC(C)C)CN1CCCN(C)CC1)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,UHPWQIRRXPCJHX-UHFFFAOYSA-N
-rxn:2:107439:153696,CCCC(NC(CC(C)C)CN1CCCN(C)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,FSFNRIVXUVVTHH-UHFFFAOYSA-N
-rxn:2:107980:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)Nc1c(C2CCC2)cnn1C(C)C1CC1(F)F,CEKPACMPVLPNCV-UHFFFAOYSA-N
-rxn:2:108142:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCC#Cc1csc(CN2CCN(C)CC2)c1,UMLLBUMYDVBETC-UHFFFAOYSA-N
-rxn:2:109260:147883,CCOc1cc(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)ccc1N1CCC(F)(F)C1,BKUBKDKYEVZONT-UHFFFAOYSA-N
-rxn:2:111378:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN(C)C(C)C,SWDSQMFWSYTKHZ-UHFFFAOYSA-N
-rxn:2:111378:154283,Cc1nc2nc(N3CCCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN(C)C(C)C,FQLTZYYQQSDNEH-UHFFFAOYSA-N
-rxn:2:111378:168553,Cc1nc2nc(N3CCCCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN(C)C(C)C,OOEDYNUEGFMPCY-UHFFFAOYSA-N
-rxn:2:111538:151922,COc1ccc(C(C)N[C@H]2CC[C@H](OS(C)(=O)=O)CC2)cc1-c1cccc(OC2CC2)n1,GSHHTTBFVZFAOD-WTXWRMNVSA-N
-rxn:2:111538:154745,Cc1cc(-c2cc3c(cc2C(C)N[C@H]2CC[C@H](OS(C)(=O)=O)CC2)OCCO3)cnc1C,BVVHUUBRAXIFRE-DASMUKNDSA-N
-rxn:2:111610:169209,COc1ccc(-c2cc(C(C)NC3(COS(=O)(=O)[O-])CCCC3)c(C)n2C2CC2)cc1,LKVTYYCCCLZHDT-UHFFFAOYSA-M
-rxn:2:111734:153696,CCCC(NC1(CCCC(C)C)CCN(C)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,IJEFWHQJANJTKU-UHFFFAOYSA-N
-rxn:2:111800:153696,CCCC(NCC1CN(C)CC(C)CN1C(C)C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,IZMILENAKSIWBJ-UHFFFAOYSA-N
-rxn:2:112552:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)C)CCC(c2ccco2)C1,UHKAMXVVMAJRJS-UHFFFAOYSA-N
-rxn:2:112964:151416,Cc1cccc(C(CNC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)N2CCCOCC2)c1C,MOUXCLVRKAJDQH-UHFFFAOYSA-N
-rxn:2:113031:165358,CC(Nc1ccc(N2CCN(C(C)C)CC2)nn1)SCC#Cc1ccc2c(c1)C(=O)CC2,XKNAJSRCZVUBON-UHFFFAOYSA-N
-rxn:2:113055:153696,CCCC(NC(C)CN1CCN(C)CC1CN(C)C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,KWPRUCCHLRKEFI-UHFFFAOYSA-N
-rxn:2:113228:76539,CC(CCCN(C)C1CCCC1)NCc1cccc(S(=O)(=O)C2CC2)n1,XRFYPPAQBGXPQQ-UHFFFAOYSA-N
-rxn:2:113378:144074,Cn1cc2cc(-c3ccc4c(c3)C(NOCC3CCN(C5CCS(=O)(=O)C5)CC3)CO4)ccc2n1,DOZPPFNEEGHSBM-UHFFFAOYSA-N
-rxn:2:113378:145062,Cc1ccc(-c2cccc3c2C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CO3)cn1,GBSKFBVHAJABKP-UHFFFAOYSA-N
-rxn:2:113378:146079,Cc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1C(C)NOCC1CCN(C2CCS(=O)(=O)C2)CC1,JFVOBQFMJZICDK-UHFFFAOYSA-N
-rxn:2:113378:152342,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cc(-c2cccn(C)c2=O)ccn1,RVYUYHWYAHWNLO-UHFFFAOYSA-N
-rxn:2:113378:153696,CCCC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,JTSDOGGNVWREIL-UHFFFAOYSA-N
-rxn:2:113378:158577,COc1cccc2cc(-c3ccc4c(c3)C(NOCC3CCN(C5CCS(=O)(=O)C5)CC3)CO4)[nH]c12,IHZVNSPQJCWTLZ-UHFFFAOYSA-N
-rxn:2:113378:159741,CCOc1cc(-c2ccc3c(c2)C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CO3)ccn1,PNDBCGGHURWXQB-UHFFFAOYSA-N
-rxn:2:113378:159961,CCOc1ncccc1-c1cccc2c1C(NOCC1CCN(C3CCS(=O)(=O)C3)CC1)CO2,MMUYAVKDNDFBMG-UHFFFAOYSA-N
-rxn:2:113378:163337,CCOc1ccccc1-c1cc(C(C)NOCC2CCN(C3CCS(=O)(=O)C3)CC2)c(=O)[nH]n1,BTIAGGNUUPFMLW-UHFFFAOYSA-N
-rxn:2:113378:166807,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccccc1-c1cnc(=O)n(C)c1,BGSWNSFCYAXHSY-UHFFFAOYSA-N
-rxn:2:113378:171790,CCOc1ccc(-c2ccc(C3CCC(NOCC4CCN(C5CCS(=O)(=O)C5)CC4)CC3)cc2)cn1,OHVPKWXIZJWBIO-UHFFFAOYSA-N
-rxn:2:114046:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(c2cccc(S(C)(=O)=O)c2)CCC1,ARZILLHDVQMCFK-UHFFFAOYSA-N
-rxn:2:114270:150671,CCC(NC(CC(C)C)c1nc2cnccc2c(=O)[nH]1)C1CCN(CC(C)C)CC1,SAJHBYXTEGRUNI-UHFFFAOYSA-N
-rxn:2:115085:124533,COCC1C(F)(F)C12CCC(Nc1cc(S(=O)(=O)[O-])c(C)cc1C)CC2,WDEFHRMNXJGYBZ-UHFFFAOYSA-M
-rxn:2:115619:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)Nc1cn(CC2CC2(F)F)nc1C1CC1,NTQOKVKPGLQYFT-UHFFFAOYSA-N
-rxn:2:116198:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCc1cccc(OC2CCS(=O)(=O)C2)c1,PVBHWLSEIZUPJK-UHFFFAOYSA-N
-rxn:2:116235:147883,CCc1cc(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)n(C2CCS(=O)(=O)CC2)n1,VZNBTUZUDJFCCF-UHFFFAOYSA-N
-rxn:2:116620:153696,CCCC(NC(CN1CCCN(C)CC1)C(C)C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,TYHDELQFHAYKSE-UHFFFAOYSA-N
-rxn:2:116697:147883,COc1ccc(CN2CCC(F)(F)C2)cc1NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,XGSVQDWYPNKMDT-UHFFFAOYSA-N
-rxn:2:116760:133840,CO[C@H]1CC[Si](C)(C)CC[C@@H]1NC(C)CCCCn1[nH]c(=O)ccc1=O,WYTDFKILGUAUIV-BSOSBYQFSA-N
-rxn:2:117825:147883,CCOCC1CCCN(c2ncccc2NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)C1,GSCBWFZNJZDWDG-UHFFFAOYSA-N
-rxn:2:117893:133840,CCC(NC(C)CCCCn1[nH]c(=O)ccc1=O)c1cnc(N2CCN(C)CC2)cc1C,RSFMGRXTWXHPCN-UHFFFAOYSA-N
-rxn:2:118123:136294,CCS(=O)(=O)c1cccnc1CNC(c1ccc(CN2CCSCC2)cc1)C1CCCC1,KLHCXLCBWLKOFT-UHFFFAOYSA-N
-rxn:2:118776:153696,CCCC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,IDGVIUYBGNOYCO-UHFFFAOYSA-N
-rxn:2:119635:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCC(F)(F)CN1CC(C)C(C)C1C,AZGLAMZVIAMSKP-UHFFFAOYSA-N
-rxn:2:120869:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC(F)(F)CN1CCN(C)C(C)C1,VBZKEHLUZRWUFM-UHFFFAOYSA-N
-rxn:2:121429:147883,CCN(C)CC(F)(F)CNC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,CGMXFSLIAVVVIL-UHFFFAOYSA-N
-rxn:2:121978:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCC(CN3CCSCC3)CC2)cn1,QRESHJISPMNOHZ-UHFFFAOYSA-N
-rxn:2:122762:146538,COc1ccc(C(Nc2cnn(C3CC4(C3)CC(F)(F)C4)c2)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,XUNFWMFDOLYYHF-UHFFFAOYSA-N
-rxn:2:122762:150884,COc1ccc(C(Nc2cnn(C3CC4(C3)CC(F)(F)C4)c2)c2c[nH]c(C(=O)/N=C/N(C)C)c2)cc1,XUNFWMFDOLYYHF-OKCVXOCRSA-N
-rxn:2:123501:126600,Cc1ccc(C(C)NCCC2CCCN2c2ccc(C3CCC3)nn2)c(OS(=O)(=O)F)c1,RJWVVDAGUGVFGC-UHFFFAOYSA-N
-rxn:2:124005:132367,COC(C1CC1)C(C)NC(c1ccc(C(C)(C)C)cc1C)C1CCCC1,LPIDWBZKMJDJRB-UHFFFAOYSA-N
-rxn:2:124093:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CN3CCCCC3CO2)cn1,ASFWVUGKPPRQJT-UHFFFAOYSA-N
-rxn:2:124269:153696,CCCC(NCC1(N(C)CC)CCN(C2CC2)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,GRCNXXDTDJRMEO-UHFFFAOYSA-N
-rxn:2:124595:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(S(=O)(=O)C(C)(C)C)CC1,IUTXWAPOYQWHNV-UHFFFAOYSA-N
-rxn:2:124611:147883,COCCN1CCN(c2cccc(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)c2)CC1,QSAHWOHTVOLNBD-UHFFFAOYSA-N
-rxn:2:125044:153696,CCCC(NC(CN1CCN(C)CC1)C(C)CC)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,PMTXKGTTYICZOE-UHFFFAOYSA-N
-rxn:2:126347:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCC(N3CCOCC3)CC2)cn1,SQZFUTCYIUMBDU-UHFFFAOYSA-N
-rxn:2:126600:133419,Cc1ccc(C(C)NC(c2n[nH]c(=O)[nH]2)C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,QZKNILRLHHTRMI-UHFFFAOYSA-N
-rxn:2:126600:138055,Cc1ccc(C(C)Nc2cnc(OCC3CCN(C4CC4)CC3)nc2)c(OS(=O)(=O)F)c1,WJMQWNLHLTUFTO-UHFFFAOYSA-N
-rxn:2:126600:140982,Cc1ccc(C(C)Nc2cnc(OCC3CCCCN3C3CC3)nc2)c(OS(=O)(=O)F)c1,NVCGSJNHRZTCGA-UHFFFAOYSA-N
-rxn:2:127773:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)C)CCOC1,JFVXLZHGLCCJGK-UHFFFAOYSA-N
-rxn:2:128522:126600,Cc1ccc(C(C)N[C@@H]2COC[C@H]2N2CCN(C)CC2)c(OS(=O)(=O)F)c1,YNIGMRASPNFWSG-VNCLPFQGSA-N
-rxn:2:128551:160422,CN(CCc1ccc(NC2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)cc1)C1CCSC1,WMXXOASXPYNMIX-UHFFFAOYSA-N
-rxn:2:128815:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCCN2CCC(N3CCCCC3)CC2)cn1,NVFXKPGMMGQLKE-UHFFFAOYSA-N
-rxn:2:129793:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(C)(C)S(=O)(=O)c1ccn(C(C)C)n1,PWUKAWLKZGOJHC-UHFFFAOYSA-N
-rxn:2:130324:165431,CCN1CCN(c2nc(C)c3c(n2)CCCC3Nc2ccccc2SC(F)(F)CN(C)C)CC1,SZYIOTPVKALDTL-UHFFFAOYSA-N
-rxn:2:131649:136378,CC(C)c1nn(C2CCSCC2)cc1CNC1CCN(CCOS(C)(=O)=O)CC1,FCTWYDMXIGNGKY-UHFFFAOYSA-N
-rxn:2:132930:155264,CC1CN(C2(CNC(C)c3sccc3-c3cccnc3S(C)(=O)=O)CCN(C)CC2)C(C)CO1,FMPZOMXUEAKPPM-UHFFFAOYSA-N
-rxn:2:133523:153696,CCCC(NC(CCN1CCN(C)CC1)C(C)C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,ZJAUKDJYIZDVTH-UHFFFAOYSA-N
-rxn:2:133614:153696,CCCC(NC1CCN(CC2(F)CCOC2)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,WDGOBDJGXUEGIN-UHFFFAOYSA-N
-rxn:2:133772:133840,CC(CCCCn1[nH]c(=O)ccc1=O)Nc1ccc(N2CCN(CC(C)(C)C)CC2)cn1,VBJLKIUNZZCCEY-UHFFFAOYSA-N
-rxn:2:135064:155591,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NC3CC(CC4CC4)CN(C4CCC4C)C3)nc2)nc1,PWCLMFDUIWJXSY-UHFFFAOYSA-N
-rxn:2:135521:147883,COc1ccc(C2C(CCNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)c(C)c1,MIVGHVSNRFEIJY-UHFFFAOYSA-N
-rxn:2:135725:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(n2cccn2)CCS(=O)(=O)CC1,RZQJLGVDNGILMT-UHFFFAOYSA-N
-rxn:2:135759:147883,COC(CNC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C)(C(C)C)C(C)C,SEJAOALOGXRGDS-UHFFFAOYSA-N
-rxn:2:138351:143097,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cccc(-c2ccnc(N3CCN(C)CC3)c2)n1,HTZHANBVWGRGTL-UHFFFAOYSA-N
-rxn:2:138351:144694,CCOc1ccc(-c2ccc(C(NCC3CCN(C4CCS(=O)(=O)C4)CC3)C3CC3)cc2)cn1,UAJZNDKQBNSISS-UHFFFAOYSA-N
-rxn:2:138351:150150,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cc(-c2ccc(=O)n(C(C)C)c2)ccn1,AZRKCFYAYDWCMC-UHFFFAOYSA-N
-rxn:2:138351:153696,CCCC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,MNWOARHFNPTHTP-UHFFFAOYSA-N
-rxn:2:138351:159961,CCOc1ncccc1-c1cccc2c1C(NCC1CCN(C3CCS(=O)(=O)C3)CC1)CO2,VVSUWEGISUQBSY-UHFFFAOYSA-N
-rxn:2:138351:164907,CCOc1cc(-c2cccc(OC)c2C(C)NCC2CCN(C3CCS(=O)(=O)C3)CC2)ccn1,YTRHKQRYRNSWNG-UHFFFAOYSA-N
-rxn:2:138692:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CC3CCCC(C2)N3C2CCC(C)CC2)cn1,HMDRJJCJAZWHED-UHFFFAOYSA-N
-rxn:2:139551:153696,CCCC(NCC(F)(F)CN1CCC(C)CC1C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,TWYAEXZRHYBDNV-UHFFFAOYSA-N
-rxn:2:140221:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC(CCC(C)(F)F)C(C)C,CNHCVYPHBPSQOX-UHFFFAOYSA-N
-rxn:2:140271:159120,CCC(NCc1cc2cnn(C(C)C(C)C)c2[nH]c1=O)C1CCCN(CC(C)C)C1,UGHSIXFOJLMKFR-UHFFFAOYSA-N
-rxn:2:140318:168407,CC(=O)n1cc(-c2ccc(C(C)NC3CCCCC3OS(C)(=O)=O)c3c2OCO3)cn1,IGQRCKNVKHFMIU-UHFFFAOYSA-N
-rxn:2:140318:171694,Cc1cc(-c2cccc(OC3CC3)c2)c2c(c1)C(NC1CCCCC1OS(C)(=O)=O)CCO2,BYMSEHUDGCODCD-UHFFFAOYSA-N
-rxn:2:140794:147883,CCS(=O)(=O)CC1(CNC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)CC1,YQVGCCGZBLDJBJ-UHFFFAOYSA-N
-rxn:2:140873:147883,COCc1ccccc1N1CCC(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)CC1,VAAGCEUZNQVROU-UHFFFAOYSA-N
-rxn:2:141302:147883,COc1cc(N2CCC(F)(F)CC2)ccc1NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,CCAUPOCKCDCXFK-UHFFFAOYSA-N
-rxn:2:141341:144063,CC(NCC1CC(C)N(C2CCCC2)C1C)c1ccccc1-c1ccc(S(C)(=O)=O)nc1,XZSFATLAFCLINO-UHFFFAOYSA-N
-rxn:2:141341:164099,CC(NCC1CC(C)N(C2CCCC2)C1C)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,DXUMNCIIEPWLQE-UHFFFAOYSA-N
-rxn:2:141890:147883,Cc1cc(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)cnc1N1CCS(=O)(=O)CC1,ZSGHSQLBIKQLMJ-UHFFFAOYSA-N
-rxn:2:142169:142605,CC(C)C(CCN1CCCN(C)CC1)NC(c1c[nH]c2ncnn2c1=O)C(C)C,XXAWQXWLYFSMCH-UHFFFAOYSA-N
-rxn:2:147188:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1nn(-c2cnccc2OC)c2c1C(C)CC2,PLZGLCRDXUXFIK-UHFFFAOYSA-N
-rxn:2:147968:150671,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(CC(C)C)c1nc2cnccc2c(=O)[nH]1,GOYGNLRKPUWQFF-UHFFFAOYSA-N
-rxn:2:148797:73700,CC(C)c1cccc(-n2[nH]c(=O)cc2NC2CCC(N(C)C3CCS(=O)(=O)C3)CC2)n1,OAEJLQKQDYVRJH-UHFFFAOYSA-N
-rxn:2:148797:88564,CC(C)c1cccc(-n2[nH]c(=O)cc2NC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])n1,XBLBQGZTXWIUML-UHFFFAOYSA-M
-rxn:2:167218:118870,CC(=O)c1ccc(C2C(CSC(C)NC(c3ccc4[nH]c(=O)oc4c3)C3CCCN3C)C2(F)F)s1,OXIAIJORRKQZGR-UHFFFAOYSA-N
-rxn:2:66038:160224,CC(C)Oc1ncc(-c2ccc(C(NC3CCC(OS(C)(=O)=O)CC3)C3CC3)cc2)cn1,KJYKKIANMRPBAS-UHFFFAOYSA-N
-rxn:2:66038:162583,CS(=O)(=O)OC1CCC(NC(c2ccc(-c3cnn(S(C)(=O)=O)c3)cc2)C2CC2)CC1,DLPWGOCLYUFFAZ-UHFFFAOYSA-N
-rxn:2:68577:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCCN2CCC(N3CCCC3)CC2)cn1,VMKAJZGJVVIGDF-UHFFFAOYSA-N
-rxn:2:68673:153696,CCCC(NCC(F)(F)CN1CCOC(C)C1C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,YQPPWCYULMSOTR-UHFFFAOYSA-N
-rxn:2:69415:119652,CC(C)c1cc(NC2CCC(c3csc(C4CCN(C)C4)n3)CC2)ccc1OS(=O)(=O)F,AXYOHKGVYKOPBP-UHFFFAOYSA-N
-rxn:2:69822:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(C)(C)S(=O)(=O)c1ccnn1C(C)C,XTZGOURXLHCJIO-UHFFFAOYSA-N
-rxn:2:69846:110698,CC(CCCN(C)C(C)C)NCC1(F)CCCN(C)CC1,KODWULDTZBCPAE-UHFFFAOYSA-N
-rxn:2:69846:95869,CC(C)CCC(NCC1(F)CCCN(C)CC1)C1(c2ccccc2)CC1,MAZILGPIERBCPJ-UHFFFAOYSA-N
-rxn:2:70123:147883,CCS(=O)(=O)c1ccc(C(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)C2CC2)cc1,FLTLLYLQRIFRGO-UHFFFAOYSA-N
-rxn:2:70482:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NC2CCN(C3CCN4CCCC34)C(C)C2)cs1,WHDPTJCPFVOHNS-UHFFFAOYSA-N
-rxn:2:70482:168792,CCC(NC1CCN(C2CCN3CCCC23)C(C)C1)c1ccc(-c2ccc(S(C)(=O)=O)nc2)s1,OIHLJYQAGMXTJW-UHFFFAOYSA-N
-rxn:2:70988:147883,COCCN1CCN(c2ccc(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)cc2)CC1,JVEOPNJBWAOFLQ-UHFFFAOYSA-N
-rxn:2:71431:153696,CCCC(NCC(F)(F)CN1CCSCCC1C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,MUAKJRCVYKNQIE-UHFFFAOYSA-N
-rxn:2:71933:147883,COc1ncc(C2C(CCNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)cc1C,JBMNMJWLYCDXBN-UHFFFAOYSA-N
-rxn:2:73305:152707,COc1ccc(C(C)NCC2(N3CCC(C)C3)CCS(=O)(=O)CC2)cc1-c1cc(=O)[nH]c(=O)[nH]1,SDTVJMLGGLVSST-UHFFFAOYSA-N
-rxn:2:73525:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCN2C2CCOCC2)cn1,RZSDRHRNYZANOS-UHFFFAOYSA-N
-rxn:2:73657:152707,COCC1C(F)(F)C12CCC(NC(C)c1ccc(OC)c(-c3cc(=O)[nH]c(=O)[nH]3)c1)CC2,WZYCOEZAEXIKMM-UHFFFAOYSA-N
-rxn:2:73980:152707,COCCCN1CCC(C)(C)C(NC(C)c2ccc(OC)c(-c3cc(=O)[nH]c(=O)[nH]3)c2)C1,QZRCMMVSRVLOMC-UHFFFAOYSA-N
-rxn:2:73980:153696,CCCC(NC1CN(CCCOC)CCC1(C)C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,CNHZWQHNSIQOPH-UHFFFAOYSA-N
-rxn:2:73980:163337,CCOc1ccccc1-c1cc(C(C)NC2CN(CCCOC)CCC2(C)C)c(=O)[nH]n1,RSSHQJBAWDDERY-UHFFFAOYSA-N
-rxn:2:74461:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCc1ccc(CN2CCS(=O)(=O)CC2)o1,CEBNAWQZLUDIJU-UHFFFAOYSA-N
-rxn:2:75182:153696,CCCC(NCC(CC)CN1CCC(F)(F)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,NBZPZIXWWYQBQZ-UHFFFAOYSA-N
-rxn:2:75831:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCc1nccc(N2CCS(=O)(=O)CC2)n1,WNXORXWXXUIILY-UHFFFAOYSA-N
-rxn:2:76177:147883,CCn1cc(S(=O)(=O)C(C)(C)CNC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)cn1,LUCIJRNRONDCNR-UHFFFAOYSA-N
-rxn:2:76797:158598,CC(C)OC1(CNC(C)c2cnc(-c3cnc(N4CCOCC4)nc3)cn2)CS(=O)(=O)C1,ZXWATTSQRWOCLI-UHFFFAOYSA-N
-rxn:2:77241:147883,COc1ccc(C2C(CNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)c(C)n1,GXXHYOCQIFEYQN-UHFFFAOYSA-N
-rxn:2:77437:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC(c1ccncc1)C1CCS(=O)(=O)CC1,XGXFPIAISHMNQC-UHFFFAOYSA-N
-rxn:2:78949:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)Nc1c(C2CC2)cnn1C(C)C1CC1(F)F,VOBGEKGLPVWPEU-UHFFFAOYSA-N
-rxn:2:79103:151022,CCc1cc(=O)[nH]c(N2CCCC(NC(C)c3ccc(OC4CCS(=O)(=O)C4)c(OC)c3)C2)n1,QMRLZKBLOLHTFD-UHFFFAOYSA-N
-rxn:2:79124:90049,COCC#Cc1ccc(C(C)NCC2(S(=O)(=O)C3CCCC3)COC2)s1,CNSLRHRXDRWXBK-UHFFFAOYSA-N
-rxn:2:79266:155264,CC1CN(C)CC(CNC(C)c2sccc2-c2cccnc2S(C)(=O)=O)N(C2CC2)C1,PRKAFPSXCWLURU-UHFFFAOYSA-N
-rxn:2:79484:161224,Cc1ccccc1C(NCCCn1cnnc1C1CCC(F)(F)CC1)c1c[nH]c(C(=O)/N=C/N(C)C)c1,HXIHYBMZJFIKIL-VTNSRFBWSA-N
-rxn:2:79484:161879,Cc1ccccc1C(NCCCn1cnnc1C1CCC(F)(F)CC1)c1c[nH]c(C(=O)N=CN(C)C)c1,HXIHYBMZJFIKIL-UHFFFAOYSA-N
-rxn:2:79800:171550,CS(C)(=O)=NS(=O)(=O)CCNC1CCC(c2ccc(-c3cccc4c3OCO4)cc2)CC1,DEPUOHISPQXLAG-UHFFFAOYSA-N
-rxn:2:80165:147883,COCC1CC(F)(F)CN1c1ccccc1NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,OQMHJNKFADTGPL-UHFFFAOYSA-N
-rxn:2:81420:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN(C2CC2)[C@@H]2CCCN(C)C2)cn1,OFZCVXDHYDQLTP-XQZUBTRRSA-N
-rxn:2:83314:150671,CCCC(NC(CC(C)C)c1nc2cnccc2c(=O)[nH]1)C1CCN(CC(C)C)CC1,IBEBNTLRISMBQH-UHFFFAOYSA-N
-rxn:2:84520:153696,CCCC(NCC1CCN(C2(C)CCS(=O)(=O)C2)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,CQYINZJEEMLEFM-UHFFFAOYSA-N
-rxn:2:84695:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCC2CN(C3CC3)CCCN2C)cn1,OBZLEKBLMRRDDP-UHFFFAOYSA-N
-rxn:2:84906:145413,CC(NCC1CCCN(C2CCS(=O)(=O)C2)C1)c1cccc(-c2ccc(N3CCN(C)CC3)nc2)n1,SYMVECKRSXQQIA-UHFFFAOYSA-N
-rxn:2:84906:149971,CC(NCC1CCCN(C2CCS(=O)(=O)C2)C1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)ccn1,PDVNVNKSBYPLJX-UHFFFAOYSA-N
-rxn:2:84906:152707,COc1ccc(C(C)NCC2CCCN(C3CCS(=O)(=O)C3)C2)cc1-c1cc(=O)[nH]c(=O)[nH]1,WAQWYUGGEJNEBN-UHFFFAOYSA-N
-rxn:2:84906:153696,CCCC(NCC1CCCN(C2CCS(=O)(=O)C2)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,VNRLTGHCCLDHAH-UHFFFAOYSA-N
-rxn:2:84906:163337,CCOc1ccccc1-c1cc(C(C)NCC2CCCN(C3CCS(=O)(=O)C3)C2)c(=O)[nH]n1,WWJLIFBHLSDSRJ-UHFFFAOYSA-N
-rxn:2:84906:171342,Cc1ccc(-c2ccc(C(NCC3CCCN(C4CCS(=O)(=O)C4)C3)C3CC3)cc2)s1,QBNGYUDSTIUFIX-UHFFFAOYSA-N
-rxn:2:84906:172674,Cc1cc(-c2ccc(C(NCC3CCCN(C4CCS(=O)(=O)C4)C3)C3CC3)cc2)cs1,HZDJKFOTUMTVKO-UHFFFAOYSA-N
-rxn:2:85050:148020,Cc1cc(S(C)(=O)=O)ccc1-c1cccnc1C(C)NC1CC2CCC(C1)N2C1CCCC1,OCSOPPCCPVSRRG-UHFFFAOYSA-N
-rxn:2:85050:156762,Cc1cc(-c2ccc(S(C)(=O)=O)nc2)ccc1C(C)NC1CC2CCC(C1)N2C1CCCC1,WNQMDAQUPXCSFT-UHFFFAOYSA-N
-rxn:2:85074:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(n2ccnc2)CCS(=O)(=O)CC1,MHWIZASHYXLURX-UHFFFAOYSA-N
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-rxn:2:85426:159603,CN1CCC(n2nc(C3CC3)c3c2CCCC3NCC(F)(F)c2cnc(N(C)C)nc2)CC1,GSKAYIWVDVLVPW-UHFFFAOYSA-N
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-rxn:2:98588:109246,CCC(NC(CN(C)C1CCCC1)C(C)C)C1(F)CC1,PUDXPIIDZIYZJK-UHFFFAOYSA-N
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-rxn:1:11170:65207,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3cc(N4CCOCC4)ncn3)C2)nn1)S(=O)(=O)c1cccs1,UTWSCEZCSPETFY-UHFFFAOYSA-N
-rxn:1:11604:61291,COCCCN1CC(n2cc(CSc3nc4cc(C(=O)N5CCN(C)CC5)ccc4[nH]3)nn2)C1,LUZMZUBVIMYCFW-UHFFFAOYSA-N
-rxn:1:13762:49355,CCS(=O)(=O)N1CCN(C(=O)c2cccc(-c3cn([C@@H]4CCC[C@H]4N4CCCN(C)CC4)nn3)c2)CC1,RFBPGBDDPQXGKV-JWQCQUIFSA-N
-rxn:1:13762:59983,CCS(=O)(=O)N1CCN(C(=O)c2cccc(-c3cn(CC4=NO[C@@H]5[C@H]6CC[C@H](C6)[C@H]45)nn3)c2)CC1,DPNQVYVDTKZHDG-AAUAJYIVSA-N
-rxn:1:15266:59780,NC(=O)c1ccnc(-n2[nH]c(=O)cc2-c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,VHEKRQMRIZAGMP-UHFFFAOYSA-N
-rxn:1:15439:59777,O=C(NC1CC1)c1cnn(-c2ccc(-c3cn(C4CCCN(S(=O)(=O)N5CCCC5)C4)nn3)cc2)c1,XRWLRCRILHEMJU-UHFFFAOYSA-N
-rxn:1:18118:58468,CCOC(=O)N1CCc2nn(C3CCS(=O)(=O)CC3)c(-c3cn(CCCc4cnn([C@@H]5CCCCO5)c4)nn3)c2C1,PQAHSVYBCIWRHF-VWLOTQADSA-N
-rxn:1:18594:59717,Cn1cnc(S(=O)(=O)N2CCC(n3cc(-c4nn(C5CCS(=O)(=O)CC5)cc4C4CCC4)nn3)CC2)c1,DCCKTEPARAYLBB-UHFFFAOYSA-N
-rxn:1:18594:59744,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(-c4nn(C5CCS(=O)(=O)CC5)cc4C4CCC4)nn3)C2)s1,LXNYKCNKMLVWGM-UHFFFAOYSA-N
-rxn:1:19218:48165,CCC(c1ccc(F)c(F)c1)n1cc(-c2cn([C@H]3CN[C@H](C(=O)N4CCc5cc(OC)c(OC)cc5C4)C3)nn2)cn1,NZKCUTNZTOXREH-VHHDRZGZSA-N
-rxn:1:20858:61550,CC(C1CCOC1)n1nc(C2CCC2)cc1-c1cn(Cc2cc(OS(=O)(=O)F)cc(C(=O)O)c2)nn1,DUYIPQNOQRZLKZ-UHFFFAOYSA-N
-rxn:1:25941:49479,Cn1nc(-c2cccnc2)cc1N1CC(c2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)CC1=O,ZXELLTSARDGUTM-UHFFFAOYSA-N
-rxn:1:25942:49479,Cn1nc(-c2ccccn2)cc1N1CC(c2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)CC1=O,CKFCFSAMMRVITR-UHFFFAOYSA-N
-rxn:1:25961:49479,Cn1ncc2ccc(N3CC(c4cn(C5CCN(S(=O)(=O)N6CCCC6)CC5)nn4)CC3=O)cc21,XPRWWNHLTTYQIH-UHFFFAOYSA-N
-rxn:1:25963:49479,Cn1ncc2cc(N3CC(c4cn(C5CCN(S(=O)(=O)N6CCCC6)CC5)nn4)CC3=O)ccc21,WRFRRVJRWWTUIV-UHFFFAOYSA-N
-rxn:1:27086:59780,O=C1CC(c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)CN1c1cc(-c2ccccc2)n[nH]1,QTGSXUGNAQCDQL-UHFFFAOYSA-N
-rxn:1:27430:59744,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(C4CC(=O)N(c5cc(N6CCCCC6)nc(N)n5)C4)nn3)C2)s1,DCAQCZKERPEHGL-UHFFFAOYSA-N
-rxn:1:29013:59779,Cc1sc2nc(SCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)nc(-n3[se]c4ccccc4c3=O)c2c1C,SAGXRJINEMVMCJ-UHFFFAOYSA-N
-rxn:1:29090:39925,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(-c5cc([N+](=O)[O-])cc6snc(Cl)c56)nn4)ncn3)CC2)OC1(C)C,BEPDIBQAHALNQC-UHFFFAOYSA-N
-rxn:1:31770:62297,N[C@H](c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1)c1cccc2c1CCC2(F)F,VSPMZDWNMKAUKY-WEFHOXGESA-N
-rxn:1:33013:48267,CS(=O)(=O)N1CC(C(=O)Nc2ncc(Br)nc2-c2cn([C@@H]3C[C@H](n4ccc(=N)[nH]c4=O)O[C@@H]3CO)nn2)C1,SCNNUXCGJHPHOK-XJKCOSOUSA-N
-rxn:1:33746:53098,Cc1cc(C(=O)NCS(=O)(=O)O)ccc1-c1cn(CCC2CC2c2cnn([C@@H]3CCCCO3)c2)nn1,DKMCAYLTQJBLOU-WJXHAUQLSA-N
-rxn:1:33908:46536,CO[C@H]1CC[C@@H](NC(=O)c2ccc(-c3cn(CCC=Cc4cnn([C@@H]5CCCCO5)c4)nn3)cc2Cl)CC1,CVLGWGGHBDWGEM-OBTVHEKISA-N
-rxn:1:35272:46536,CO[C@H]1C[C@@H](NC(=O)c2ccc(-c3cn(CCC=Cc4cnn([C@@H]5CCCCO5)c4)nn3)cc2Cl)C1,GVDUNMMBRZIBMX-BKSPAHHJSA-N
-rxn:1:35760:49480,CCOC(=O)c1ccc2nccc(-c3ccccc3-c3cn(C4CCN(S(=O)(=O)N5CCOCC5)CC4)nn3)c2c1,PQOZMGOMFKFVSU-UHFFFAOYSA-N
-rxn:1:37247:58669,CC(C)(C)OC(=O)N1CC2(CC(=Cc3cccc(-c4cn(CCCCc5cn[nH]c5)nn4)c3F)C2)C1,PDXZZWUZPOERJN-UHFFFAOYSA-N
-rxn:1:37247:58672,CC(C)(C)OC(=O)N1CC2(CC(=Cc3cccc(-c4cn(CCCCc5ncc[nH]5)nn4)c3F)C2)C1,DSDRJZDVHBSPSL-UHFFFAOYSA-N
-rxn:1:37247:59364,CC(C)(C)OC(=O)N1CC2(CC(=Cc3cccc(-c4cn(CCCCc5cnc6[nH]c(=O)oc6c5)nn4)c3F)C2)C1,UAETYORNMFVPGZ-UHFFFAOYSA-N
-rxn:1:3841:64856,CC(C)(C)OC(=O)NC1(c2cn(CC3CC(=O)N(c4ccc5ncsc5c4Br)C3)nn2)CNC1,YFOYFXNZDFGDEA-UHFFFAOYSA-N
-rxn:1:39133:59779,O=C(OCc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1)c1ccc2[nH]c(-c3cccnc3)nc2c1,BKLFCKYJYWKUII-UHFFFAOYSA-N
-rxn:1:40240:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3ncc(Cl)nc3N)nn1)c1cc(OC)c(OC)cc1N2,IHJXVPQIKUQMJC-UHFFFAOYSA-N
-rxn:1:40251:29100,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(CCc2cn(CC=Cc3nc[nH]c3[N+](=O)[O-])nn2)c1,MRQAKMSFQQGBAM-UHFFFAOYSA-N
-rxn:1:40293:31426,O=C(O)c1cnc(N2CCC3(CCN(Cc4cn(CC=Cc5ccc(CCl)c(F)c5)nn4)CC3)CC2)nc1,ZBDBTMZZAHQZHC-UHFFFAOYSA-N
-rxn:1:40446:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC=Cc5cc([N+](=O)[O-])ccn5)nn4)ncn3)CC2)OC1(C)C,HZNHXQIIBXHHDP-UHFFFAOYSA-N
-rxn:1:40542:30322,Cc1nccc(CN2CCCOc3ccccc3C(=O)NCC3(CC2)CCN(C(=O)c2cn(CCCS(=O)(=O)F)nn2)CC3)n1,NKNNYGZGXICHTH-UHFFFAOYSA-N
-rxn:1:40721:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3cnc4ccc(Cl)nn34)nn1)c1cc(OC)c(OC)cc1N2,ZTJJUPWNUHMXLW-UHFFFAOYSA-N
-rxn:1:40858:6199,CC(C)(C)OC(=O)N1CCCN(c2cc(-c3cn(CC=Cc4cncc([N+](=O)[O-])c4Cl)nn3)ncn2)CC1,ZNSGUFFNEKWLPP-UHFFFAOYSA-N
-rxn:1:41003:17642,NNC(=O)c1cncc(C=CCn2cc(-c3cc(C4CCCC4)n(C4CCCS(=O)(=O)C4)n3)nn2)c1,GUHVBSQBUDWCHY-UHFFFAOYSA-N
-rxn:1:41251:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3ccc4c(Cl)ncnc4c3)nn1)c1cc(OC)c(OC)cc1N2,PJQDBMRJJZXBCP-UHFFFAOYSA-N
-rxn:1:41263:33908,CO[C@H]1CC[C@@H](NC(=O)c2ccc(-c3cn(CC=Cc4cnn([C@@H]5CCCCO5)c4)nn3)cc2Cl)CC1,POHVXLCRQNBUCW-VRUMLPLGSA-N
-rxn:1:41352:29098,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2cn(CC=Cc3n[nH]c4c([N+](=O)[O-])cccc34)nn2)c1,ALIWYXWFFXENGT-UHFFFAOYSA-N
-rxn:1:41511:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3cncc(Br)c3)nn1)c1cc(OC)c(OC)cc1N2,POGIHSQMVSKJCW-UHFFFAOYSA-N
-rxn:1:41512:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3ccc(Br)nc3)nn1)c1cc(OC)c(OC)cc1N2,CLBSWYWALFBQOS-UHFFFAOYSA-N
-rxn:1:42571:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC#Cc5cc([N+](=O)[O-])ccn5)nn4)ncn3)CC2)OC1(C)C,IJRPTNKDEFBASM-UHFFFAOYSA-N
-rxn:1:42572:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC#Cc5ccc([N+](=O)[O-])cn5)nn4)ncn3)CC2)OC1(C)C,IJIXTRUPOQIXGU-UHFFFAOYSA-N
-rxn:1:42752:23663,CN(Cc1cn(CC#Cc2cnc3c(c2)CCN3)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,PYFJUVSEIQXDNZ-FQRUVTKNSA-N
-rxn:1:42808:9825,CCN1CCC2(CC1)CN(Cc1cn(CC#Cc3cnc4[nH]c(=O)oc4c3)nn1)c1cc(OC)c(OC)cc1N2,SMOZZLGWOCXUPY-UHFFFAOYSA-N
-rxn:1:43129:17727,NNC(=O)c1cncc(C#CCn2cc(-c3cc(C4CCCCC4)n(C4CCCS(=O)(=O)C4)n3)nn2)c1,COMKSJJXAFPBTH-UHFFFAOYSA-N
-rxn:1:43353:9825,CCN1CCC2(CC1)CN(Cc1cn(CC#Cc3ccc4occc(=O)c4c3)nn1)c1cc(OC)c(OC)cc1N2,LYUCGJCENUITNY-UHFFFAOYSA-N
-rxn:1:43389:18118,CCOC(=O)N1CCc2nn(C3CCS(=O)(=O)CC3)c(-c3cn(CC#Cc4cnn([C@@H]5CCCCO5)c4)nn3)c2C1,DVRSLYISGARRIE-VWLOTQADSA-N
-rxn:1:43462:9825,CCN1CCC2(CC1)CN(Cc1cn(CC#Cc3ccc(O)c(-c4ccno4)c3)nn1)c1cc(OC)c(OC)cc1N2,VSBLZYHJADKZBS-UHFFFAOYSA-N
-rxn:1:43474:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC#Cc5n[nH]c6ccc([N+](=O)[O-])cc56)nn4)ncn3)CC2)OC1(C)C,ZVWSQLKJFQLZFM-UHFFFAOYSA-N
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-rxn:1:49479:26858,N#Cc1c(N2CC(c3cn(C4CCN(S(=O)(=O)N5CCCC5)CC4)nn3)CC2=O)ccc2ncccc12,YKDIFSUOQLFZNS-UHFFFAOYSA-N
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-rxn:1:59777:25962,Cn1ncc2cccc(N3CC(c4cn(C5CCCN(S(=O)(=O)N6CCCC6)C5)nn4)CC3=O)c21,WJKMMZRGWHBDLK-UHFFFAOYSA-N
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-rxn:1:59777:27463,O=C1CC(c2cn(C3CCCN(S(=O)(=O)N4CCCC4)C3)nn2)CN1c1ncc(-c2ccccc2)[nH]1,CUIKYFVQAHBNML-UHFFFAOYSA-N
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-rxn:1:60304:37487,CCOC(=O)c1cc2cccc(-c3ccccc3-c3cn(C4CCCN(S(=O)(=O)N5CCOCC5)C4)nn3)c2[nH]1,XWEVBZXLWYUSLL-UHFFFAOYSA-N
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-rxn:1:60304:4869,COc1cccc(-c2csc([C@@H](N)Cc3cn(C4CCCN(S(=O)(=O)N5CCOCC5)C4)nn3)n2)c1,QRXQYOLZEWLXQG-QWAKEFERSA-N
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-rxn:1:60658:18695,CS(=O)(=O)c1ccc(-n2cc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c(C3CC3)n2)cc1,XDUJSJBSLLYALL-UHFFFAOYSA-N
-rxn:1:60658:22908,Nc1cc(C2CNC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,VZWJTJIHFPRJJY-UHFFFAOYSA-N
-rxn:1:60658:25962,Cn1ncc2cccc(N3CC(c4cn(C5CCN(S(=O)(=O)N6CCCCCC6)C5)nn4)CC3=O)c21,ORNWPMICAWEOPL-UHFFFAOYSA-N
-rxn:1:60658:26858,N#Cc1c(N2CC(c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)CC2=O)ccc2ncccc12,IEVJEAGZJFXRGJ-UHFFFAOYSA-N
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-rxn:1:60658:28917,NC(=O)C1CC1c1ccc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)cc1,IEPWXTOZPTYUPP-UHFFFAOYSA-N
-rxn:1:60658:28975,Cc1sc2nc(SCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)nc(-n3[se]c4cccnc4c3=O)c2c1C,MWCIOVLLZVFIAX-UHFFFAOYSA-N
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-rxn:1:60658:35389,CC=CCC(=O)Nc1ccc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1,ABWFAOPCOXKGRG-UHFFFAOYSA-N
-rxn:1:60658:37487,CCOC(=O)c1cc2cccc(-c3ccccc3-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c2[nH]1,ROEORBTZSOTLPI-UHFFFAOYSA-N
-rxn:1:60658:4868,COc1ccccc1-c1csc([C@@H](N)Cc2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)n1,QFAXFOVBCHLJGA-QWAKEFERSA-N
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-rxn:1:60862:25547,COCC1CN(C(=O)Cn2cc(C[n+]3c(N)sc4cc(S(C)(=O)=O)ccc43)nn2)CC12CCC2,IZZFARYYJFNWLQ-UHFFFAOYSA-O
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-rxn:1:60891:33908,COC1CN(CCn2cc(-c3ccc(C(=O)N[C@H]4CC[C@@H](OC)CC4)c(Cl)c3)nn2)CC1n1ccnc1,KEUOTXYDFVDBHB-KVEMZPMDSA-N
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-rxn:1:61896:9825,CCN1CCC2(CC1)CN(Cc1cn(-c3c(F)cc4c(C)cc(=O)oc4c3F)nn1)c1cc(OC)c(OC)cc1N2,QQAPUSJVWILWMN-UHFFFAOYSA-N
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-rxn:1:62297:27268,O=C1CC(c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)CN1c1cccc(Cl)c1-n1ccnc1,IRBSVHCUHIZBPB-UHFFFAOYSA-N
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-rxn:1:62297:28763,NCC1C(c2ccc(-c3cn(C4CC(n5ccc(=O)[nH]c5=O)OC4COP(=O)(O)O)nn3)cc2)C1(F)F,AHYMZYQJZPDYKD-UHFFFAOYSA-N
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-rxn:1:49465:18560,Cc1ccc(S(=O)(=O)N2CCC(n3cc(-c4nn(C5CCCS(=O)(=O)C5)cc4C4CC4)nn3)CC2)s1,OBXAEGFKWBHCQK-UHFFFAOYSA-N
-rxn:1:49465:8098,Cc1ccc(S(=O)(=O)N2CCC(n3cc(C(=O)N4CCC(c5nc(C6CC6)ncc5-c5ccncc5)CC4)nn3)CC2)s1,LFNVJMIHGPIKFX-UHFFFAOYSA-N
-rxn:1:49465:8114,Cc1ccc(S(=O)(=O)N2CCC(n3cc(C(=O)N4CCCC(c5nc(N6CCCC6)ncc5-c5cccnc5)C4)nn3)CC2)s1,MMGOAABZXRVKHL-UHFFFAOYSA-N
-rxn:1:49465:8293,Cc1ccc(S(=O)(=O)N2CCC(n3cc(C(=O)N4CCCC(c5cncc(-n6ccnc6C(C)C)n5)C4)nn3)CC2)s1,DDDCGPCVHCIINL-UHFFFAOYSA-N
-rxn:1:49466:15361,NC(=O)c1ccnn1-c1ccccc1OCc1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,PYGMLKJEIFTPDN-UHFFFAOYSA-N
-rxn:1:49466:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(C4CCN(S(=O)(=O)C5CCCCC5)CC4)nn3)c(C3CCCC3)n2)cc1,ORDJOCUSNDZKEU-UHFFFAOYSA-N
-rxn:1:49466:27393,Nc1nc(-c2ccccc2)nc(N2CC(c3cn(C4CCN(S(=O)(=O)C5CCCCC5)CC4)nn3)CC2=O)n1,CYLBZYDMYAZSJP-UHFFFAOYSA-N
-rxn:1:49479:10438,O=c1[nH]c(SCc2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)nc2scc(-c3ccc4c(c3)CCCC4)c12,JUGALOCCXJGWJZ-UHFFFAOYSA-N
-rxn:1:49479:17672,CC(C)Cc1cc(-c2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)nn1C1CCS(=O)(=O)CC1,RQEHVEAQPYVHDA-UHFFFAOYSA-N
-rxn:1:49479:27397,O=C1CC(c2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)CN1c1nccc(-c2ccncc2)n1,TVCRAIWGQLZQJC-UHFFFAOYSA-N
-rxn:1:49479:27401,O=C1CC(c2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)CN1c1nccc(-c2ccccn2)n1,PMVXUZLPFUSHIO-UHFFFAOYSA-N
-rxn:1:49479:32872,CC(=O)N1CC[C@H]1C(=O)Nc1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)c1,NFUDGCMPDVFSSR-NRFANRHFSA-N
-rxn:1:49479:8314,Cc1nccn1-c1nccnc1C1CCN(C(=O)c2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)CC1,HVFKOZGSIDKYNA-UHFFFAOYSA-N
-rxn:1:49479:8315,CCc1nccn1-c1nccnc1C1CCN(C(=O)c2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)CC1,BCVMFDWKTFIQID-UHFFFAOYSA-N
-rxn:1:49480:11318,Cc1ccnc(N(Cc2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)S(=O)(=O)c2ccccc2)c1,PRXSPLCCBSIOFD-UHFFFAOYSA-N
-rxn:1:49480:17672,CC(C)Cc1cc(-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)nn1C1CCS(=O)(=O)CC1,AJMLYZWGTAWVIK-UHFFFAOYSA-N
-rxn:1:49480:27393,Nc1nc(-c2ccccc2)nc(N2CC(c3cn(C4CCN(S(=O)(=O)N5CCOCC5)CC4)nn3)CC2=O)n1,OJGRKASFMYDLDM-UHFFFAOYSA-N
-rxn:1:49480:27397,O=C1CC(c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)CN1c1nccc(-c2ccncc2)n1,CHULGWBBQMDMEG-UHFFFAOYSA-N
-rxn:1:49480:27401,O=C1CC(c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)CN1c1nccc(-c2ccccn2)n1,HDKSCHKWNKJLQF-UHFFFAOYSA-N
-rxn:1:49480:27432,Nc1nc(N2CC(c3cn(C4CCN(S(=O)(=O)N5CCOCC5)CC4)nn3)CC2=O)c2ccccc2n1,PDJLODASFKJAFY-UHFFFAOYSA-N
-rxn:1:49480:27485,O=C1CC(c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)CN1c1nccc(-c2cccs2)n1,XKFJDLIDTDVCHQ-UHFFFAOYSA-N
-rxn:1:49480:35691,COc1c(Cl)cccc1C(=O)Nc1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)c1,YKUFDFBHHHXMPW-UHFFFAOYSA-N
-rxn:1:49480:35890,Cc1c(-c2ccccc2-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)ccc2c1NC(=O)CO2,KRJVYGUAIJJEPD-UHFFFAOYSA-N
-rxn:1:50321:16983,CN(C)CCn1ncc(-c2cn(CC3C(c4ccc([N+](=O)[O-])nc4)C3(F)F)nn2)c1C1CCCCC1,TWTLDCUURXYMFH-UHFFFAOYSA-N
-rxn:1:50323:16983,CN(C)CCn1ncc(-c2cn(CC3C(c4cc([N+](=O)[O-])ccn4)C3(F)F)nn2)c1C1CCCCC1,RAUIOSBSLUCOOP-UHFFFAOYSA-N
-rxn:1:50590:35200,Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C)ccc1-c1cn(CC2C(c3ccc4c(c3)CCNC4)C2(F)F)nn1,NVUGAOAYKIBPOV-HXOQOEBWSA-N
-rxn:1:50801:17647,CCC(CC)n1nc(-c2cn(CC3C(c4ccc([N+](=O)[O-])c(C)n4)C3(F)F)nn2)cc1C1CCCC1,AXVRISBYVSFETO-UHFFFAOYSA-N
-rxn:1:51228:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4C(c5ccc6c(=O)[nH]cnc6c5)C4(F)F)nn3)nc2)CC1,QUTCHSWSMVCISN-GIMISSOZSA-N
-rxn:1:51499:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn([C@H]2C[C@@](C#N)(c3ccccc3)C2)nn1,NGSMHKCWSPGXEO-SIDLAZDFSA-N
-rxn:1:51950:12720,Cc1cn(C2CC(n3cc(-c4ccc(C(=O)OCc5ccncc5Br)cc4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,GDXNCKWEECAGLT-UHFFFAOYSA-N
-rxn:1:51950:12807,Cc1cn(C2CC(n3cc(-c4ccc(C(=O)OCc5ccc(Br)cn5)cc4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,SDECXWMHHZPKSF-UHFFFAOYSA-N
-rxn:1:51950:12844,Cc1cn(C2CC(n3cc(-c4ccc(C(=O)OCc5cc(Br)ccn5)cc4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,HMRCUJYRQGVDQI-UHFFFAOYSA-N
-rxn:1:51950:12861,Cc1cn(C2CC(n3cc(-c4ccc(C(=O)OCc5ccc(Cl)cn5)cc4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,XTKRKMOOUUSCQD-UHFFFAOYSA-N
-rxn:1:51950:12893,Cc1cn(C2CC(n3cc(-c4ccc(C(=O)OCc5cc(Cl)ccn5)cc4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,QBNJVQAZFOHESF-UHFFFAOYSA-N
-rxn:1:51950:13448,Cc1cn(C2CC(n3cc(-c4ccc(C(=O)OC5CCN(c6ncccn6)CC5)cc4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,CWKJADDZTAQYMO-UHFFFAOYSA-N
-rxn:1:51950:13638,Cc1cn(C2CC(n3cc(-c4ccc(C(=O)OCc5ccncc5F)cc4)nn3)C(CO)O2)c(=O)nc1N1CCCCC1,XNSFQJAKMFOHOC-UHFFFAOYSA-N
-rxn:1:51950:13761,COc1cc(Br)ccc1NC(=O)c1cccc(-c2cn(C3CC(n4cc(C)c(N5CCCCC5)nc4=O)OC3CO)nn2)c1,MIZHSCBSYRKXMD-UHFFFAOYSA-N
-rxn:1:51950:33872,COc1ccncc1C(=O)Nc1cncc(-c2cn(C3CC(n4cc(C)c(N5CCCCC5)nc4=O)OC3CO)nn2)c1,MZYYWACICQKMNV-UHFFFAOYSA-N
-rxn:1:51950:35315,COc1cncc(C(=O)Nc2ccncc2-c2cn(C3CC(n4cc(C)c(N5CCCCC5)nc4=O)OC3CO)nn2)c1,FUVJEIIXJXZGEW-UHFFFAOYSA-N
-rxn:1:51950:9659,COc1cc(F)ccc1C(=O)Nc1cccc(-c2cn(C3CC(n4cc(C)c(N5CCCCC5)nc4=O)OC3CO)nn2)c1,KPXSTOMJYWSTDN-UHFFFAOYSA-N
-rxn:1:52281:10750,COCCCCn1cc(COc2ccc(CN3CCC4(CC3)CNC(=O)C4)cc2Cl)nn1,KZAVCMZYNRSGSN-UHFFFAOYSA-N
-rxn:1:52518:38297,O=C=Nc1ccccc1C1CC1CCn1cc(CN2CCNCCNCCNCC2)nn1,XRUPFUALXQTEQV-UHFFFAOYSA-N
-rxn:1:53078:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CCC3CC3c3cc(OC)c4c(c3)OCO4)nn2)CC1,SEXPVDCYFWKVLZ-UHFFFAOYSA-N
-rxn:1:54104:17644,CN(C)CCn1nc(-c2cn(CCC3C(c4cc([N+](=O)[O-])ccn4)C3(F)F)nn2)cc1C1CCCC1,GERXXLJHWVNKAD-UHFFFAOYSA-N
-rxn:1:54104:17729,CN(C)CCn1nc(-c2cn(CCC3C(c4cc([N+](=O)[O-])ccn4)C3(F)F)nn2)cc1C1CCCCC1,ALOYBAACARZQIZ-UHFFFAOYSA-N
-rxn:1:54860:15078,CN1CCN(c2ccc(C3C(CCn4cc(Cn5[nH]c(=O)cc5C(=O)N(C)C)nn4)C3(F)F)cc2)CC1,PABSYYIYWYPZEF-UHFFFAOYSA-N
-rxn:1:54860:5420,CN1CCN(c2ccc(C3C(CCn4cc(CSc5nc6sc7c(c6c(=O)n5C)CCCC7)nn4)C3(F)F)cc2)CC1,YCEGFQPOAFWXPE-UHFFFAOYSA-N
-rxn:1:5524:56075,Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(Cc3cn(CC4CC4c4cnn5ccc(Cl)nc45)nn3)CC1)O2,YEZZTIKGPZUISQ-UHFFFAOYSA-N
-rxn:1:5524:56076,Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(Cc3cn(CC4CC4c4cnc5ccc(Cl)nn45)nn3)CC1)O2,NMMBKFHEVVHZFB-UHFFFAOYSA-N
-rxn:1:5524:58003,Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(Cc3cn(CCCc4n[nH]c5ncnc(Cl)c45)nn3)CC1)O2,XUNCXKRLARXHBL-UHFFFAOYSA-N
-rxn:1:56303:34589,CCC1CCC(C(=O)Nc2ncc(Br)nc2-c2cn(CC3CC3c3ccccc3S(N)(=O)=O)nn2)CC1,VOLJOLQYXYCQON-UHFFFAOYSA-N
-rxn:1:56328:35512,CCN1CCCN(C(=O)c2ccc(-c3cn(CC4CC4c4cccnc4C(=O)OC)nn3)cc2Cl)CC1,RRHKRQOXSCVXNZ-UHFFFAOYSA-N
-rxn:1:56336:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cc(C(=O)OC)ccn3)nn2)CC1,OKBWEPNEGZPTSQ-UHFFFAOYSA-N
-rxn:1:56655:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cc(OC)c4c(c3)OCO4)nn2)CC1,TXGOBCUTYKQFCR-UHFFFAOYSA-N
-rxn:1:56715:17672,CC(C)Cc1cc(-c2cn(CC3CC3c3cnc(N4CCCC4)nc3)nn2)nn1C1CCS(=O)(=O)CC1,FONHQNBQLJJMFI-UHFFFAOYSA-N
-rxn:1:56715:34205,Cc1ccc(C(=O)NC2CCS(=O)(=O)CC2)cc1-c1cn(CC2CC2c2cnc(N3CCCC3)nc2)nn1,GRDOEAKEIUPCCX-UHFFFAOYSA-N
-rxn:1:56898:10750,COC(=O)c1c[nH]c2ccc(C3CC3Cn3cc(COc4ccc(CN5CCC6(CC5)CNC(=O)C6)cc4Cl)nn3)cc12,HKCGRHHELFIKMJ-UHFFFAOYSA-N
-rxn:1:56900:10294,CN1CCC(N(C)CCCn2cc(Cn3c(Cc4cccc(Cl)c4)nc4sc5c(c4c3=O)CCCC5)nn2)CC1,ITVFBDRCYXAFFP-UHFFFAOYSA-N
-rxn:1:56900:13450,CN1CCC(N(C)CCCn2cc(-c3ccc(C(=O)OC4CCN(c5ncc(Br)cn5)CC4)cc3)nn2)CC1,MFBDVFCGKLTSBM-UHFFFAOYSA-N
-rxn:1:56900:14085,CN1CCC(N(C)CCCn2cc(-c3cc(Cl)cc(C(=O)OC(C)(C)C)c3)nn2)CC1,RWZISGLAKOMSQX-UHFFFAOYSA-N
-rxn:1:56900:14088,CN1CCC(N(C)CCCn2cc(-c3cc(F)cc(C(=O)OC(C)(C)C)c3)nn2)CC1,FIKVIWOQXUGGCE-UHFFFAOYSA-N
-rxn:1:56900:15968,CCCC(=O)N=c1sc2cccc(Cl)c2n1Cc1cn(CCCN(C)C2CCN(C)CC2)nn1,ZESXUOSVGILUKY-UHFFFAOYSA-N
-rxn:1:56900:16004,CN1CCC(N(C)CCCn2cc(COc3cccc(-n4cc(Br)c(C5CCCC5)n4)c3)nn2)CC1,LFVCQHOTLBMQLV-UHFFFAOYSA-N
-rxn:1:56900:16005,CN1CCC(N(C)CCCn2cc(COc3ccccc3-n3cc(Br)c(C4CCCC4)n3)nn2)CC1,ZQHOGOMQBHTZBT-UHFFFAOYSA-N
-rxn:1:56900:16235,CN1CCC(N(C)CCCn2cc(COc3ccc(-n4cc(Cl)c(C5CCCCC5)n4)cc3)nn2)CC1,CQJMJEBTVNAGEW-UHFFFAOYSA-N
-rxn:1:56900:16236,CN1CCC(N(C)CCCn2cc(COc3cccc(-n4cc(Cl)c(C5CCCCC5)n4)c3)nn2)CC1,ZMBGVFWZJAEVSF-UHFFFAOYSA-N
-rxn:1:56900:16581,CN1CCC(N(C)CCCn2cc(COc3ccc(-n4ncc(Br)c4C4CCCC4)cc3)nn2)CC1,CWTOSHVOQGMVCQ-UHFFFAOYSA-N
-rxn:1:56900:16730,CN1CCC(N(C)CCCn2cc(COc3ccc(-n4ncc(I)c4C4CCCCC4)cc3)nn2)CC1,USHINJVHTXPLFD-UHFFFAOYSA-N
-rxn:1:56900:16732,CN1CCC(N(C)CCCn2cc(COc3ccccc3-n3ncc(I)c3C3CCCCC3)nn2)CC1,VIZSRSNSJVREKH-UHFFFAOYSA-N
-rxn:1:56900:23030,CN1CCC(N(C)CCCn2cc(CSc3nc4c(c(=O)[nH]3)C3(CCCCC3)Cc3ccccc3-4)nn2)CC1,UEPNSXFOKVPCMT-UHFFFAOYSA-N
-rxn:1:56900:5013,CC(C)COc1cc(Br)cn(Cc2cn(CCCN(C)C3CCN(C)CC3)nn2)c1=O,BLUJTARSAAHUKZ-UHFFFAOYSA-N
-rxn:1:57565:29100,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(CCc2cn(CCCc3nc([N+](=O)[O-])c[nH]3)nn2)c1,PCBSTNBAPZMGMG-UHFFFAOYSA-N
-rxn:1:58984:8070,Cc1nc(C2CCN(C(=O)c3cn(CCCCc4ncc(Cl)cc4N)nn3)CC2)ncc1C(=O)N1CCCC1,PGHBFPUDUOJINO-UHFFFAOYSA-N
-rxn:1:59671:17800,CCC(=O)c1cc(-c2cn([C@@H]3[C@@H](O)[C@H](n4cc(OC)c(=O)[nH]c4=O)O[C@@H]3CO)nn2)c2c(c1)C(CC)C(=O)N2,VMBKISJWZNJZDP-DAMRPUKZSA-N
-rxn:1:59717:16864,Cn1cnc(S(=O)(=O)N2CCC(n3cc(-c4cnn(C5CCS(=O)(=O)CC5)c4C4CCC4)nn3)CC2)c1,BTURGOGGDFYMHE-UHFFFAOYSA-N
-rxn:1:59717:16959,Cn1cnc(S(=O)(=O)N2CCC(n3cc(-c4cnn(C5CCS(=O)(=O)CC5)c4CC4CCCC4)nn3)CC2)c1,FGOTVCWENATISF-UHFFFAOYSA-N
-rxn:1:59717:8315,CCc1nccn1-c1nccnc1C1CCN(C(=O)c2cn(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)nn2)CC1,FLKKFFILEOJXKZ-UHFFFAOYSA-N
-rxn:1:59718:8314,Cc1nc(S(=O)(=O)N2CCCC(n3cc(C(=O)N4CCC(c5nccnc5-n5ccnc5C)CC4)nn3)C2)cn1C,UIORHHHHSCXBBB-UHFFFAOYSA-N
-rxn:1:59744:16864,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(-c4cnn(C5CCS(=O)(=O)CC5)c4C4CCC4)nn3)C2)s1,RTAZGNQOKDYCRF-UHFFFAOYSA-N
-rxn:1:59744:18560,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(-c4nn(C5CCCS(=O)(=O)C5)cc4C4CC4)nn3)C2)s1,HISWUHHWMYKGEJ-UHFFFAOYSA-N
-rxn:1:59744:27429,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(C4CC(=O)N(c5nc(N)cc(N6CCCCC6)n5)C4)nn3)C2)s1,OJQDZGYQURHBBZ-UHFFFAOYSA-N
-rxn:1:59744:32926,COC[C@H]1CCCN1C(=O)c1ccc(-c2cn(C3CCCN(S(=O)(=O)c4ccc(C)s4)C3)nn2)cc1Cl,QGKDGLMXSGXAJP-GFOWMXPYSA-N
-rxn:1:59744:8293,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(C(=O)N4CCCC(c5cncc(-n6ccnc6C(C)C)n5)C4)nn3)C2)s1,VCZGOJDTWTYKCK-UHFFFAOYSA-N
-rxn:1:59744:8311,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(C(=O)N4CCC(c5nccnc5-c5cnc(C)n5C)CC4)nn3)C2)s1,XJKKPLBNOBOITC-UHFFFAOYSA-N
-rxn:1:59744:8315,CCc1nccn1-c1nccnc1C1CCN(C(=O)c2cn(C3CCCN(S(=O)(=O)c4ccc(C)s4)C3)nn2)CC1,MMJWUILNCFZILC-UHFFFAOYSA-N
-rxn:1:59777:10438,O=c1[nH]c(SCc2cn(C3CCCN(S(=O)(=O)N4CCCC4)C3)nn2)nc2scc(-c3ccc4c(c3)CCCC4)c12,HQINBQUQFUKBGO-UHFFFAOYSA-N
-rxn:1:59777:16539,Nc1cnn(-c2ccccc2OCc2cn(C3CCCN(S(=O)(=O)N4CCCC4)C3)nn2)c1C1CCC1,MKDNSZOWJHAQCW-UHFFFAOYSA-N
-rxn:1:59777:17672,CC(C)Cc1cc(-c2cn(C3CCCN(S(=O)(=O)N4CCCC4)C3)nn2)nn1C1CCS(=O)(=O)CC1,OGVCMAAIAWHHIQ-UHFFFAOYSA-N
-rxn:1:59777:18695,CS(=O)(=O)c1ccc(-n2cc(-c3cn(C4CCCN(S(=O)(=O)N5CCCC5)C4)nn3)c(C3CC3)n2)cc1,GZHYHKBIRCAALC-UHFFFAOYSA-N
-rxn:1:59777:8196,Nc1nc(-c2ccccc2)nc2nc(C3CCCN(C(=O)c4cn(C5CCCN(S(=O)(=O)N6CCCC6)C5)nn4)C3)ccc12,BLQJORVVEVNULX-UHFFFAOYSA-N
-rxn:1:59777:8315,CCc1nccn1-c1nccnc1C1CCN(C(=O)c2cn(C3CCCN(S(=O)(=O)N4CCCC4)C3)nn2)CC1,VCOORVSEBIRGQM-UHFFFAOYSA-N
-rxn:1:59779:15204,CCS(=O)(=O)c1ccc(-n2[nH]c(=O)cc2-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)cc1,QVFBIFUPGLZYTR-UHFFFAOYSA-N
-rxn:1:59779:16539,Nc1cnn(-c2ccccc2OCc2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)c1C1CCC1,CURFASMKJOCNFI-UHFFFAOYSA-N
-rxn:1:59779:27397,O=C1CC(c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)CN1c1nccc(-c2ccncc2)n1,UPXYMIOYTIPVDT-UHFFFAOYSA-N
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-rxn:1:59792:21140,COc1ccc(C(C)n2nc(C3CCCCC3)cc2-c2cn(CC3CCCN3S(=O)(=O)c3ccc(OC)cc3)nn2)cc1,UOAOFZVLALHKSV-UHFFFAOYSA-N
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-rxn:1:60304:25962,Cn1ncc2cccc(N3CC(c4cn(C5CCCN(S(=O)(=O)N6CCOCC6)C5)nn4)CC3=O)c21,VWIHAFXFVROWAW-UHFFFAOYSA-N
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-rxn:1:60310:26858,N#Cc1c(N2CC(c3cn(CC4CCCN4S(=O)(=O)N4CCCCCC4)nn3)CC2=O)ccc2ncccc12,BCVGAADRELWCAK-UHFFFAOYSA-N
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-rxn:1:60310:27397,O=C1CC(c2cn(CC3CCCN3S(=O)(=O)N3CCCCCC3)nn2)CN1c1nccc(-c2ccncc2)n1,JOEISUJEUBWXSY-UHFFFAOYSA-N
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-rxn:1:60310:27432,Nc1nc(N2CC(c3cn(CC4CCCN4S(=O)(=O)N4CCCCCC4)nn3)CC2=O)c2ccccc2n1,XGASXYYWLDHNGU-UHFFFAOYSA-N
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-rxn:1:60310:4506,Nc1ccccc1-n1ccc(C(=O)NCc2cn(CC3CCCN3S(=O)(=O)N3CCCCCC3)nn2)n1,MGEBIEIURWEJQL-UHFFFAOYSA-N
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-rxn:1:60314:16246,CCOc1ncccc1C(=O)N1CCC(n2cc(-c3cn(-c4ccc(OC)c(C)c4)nc3C3CCCCC3)nn2)CC1,GVIBGTLLYOGEMQ-UHFFFAOYSA-N
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-rxn:1:60362:35756,CC1(CC(=O)Nc2ncc(Br)cc2-c2cn(C3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)nn2)OCCO1,WWJWTKIFEFTAHY-UHFFFAOYSA-N
-rxn:1:60364:32645,COc1ccc(Cl)cc1NC(=O)N1CCC(n2cc(COc3cc(C)ccc3C3CCCCC3)nn2)C1,YYWZGGDOFKGDAR-UHFFFAOYSA-N
-rxn:1:60646:22127,COc1cc(F)cc(Cn2nc(C3CCCC3)cc2-c2cn(C3CCN(S(=O)(=O)c4ccc5c(c4)OCO5)C3)nn2)c1,AGQOMUZTHDYSLR-UHFFFAOYSA-N
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-rxn:1:60862:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CC(=O)N4CC(COC)C5(CCC5)C4)nn3)c2C2CCC2)cc1,CLNMVCWAHSENDW-UHFFFAOYSA-N
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-rxn:1:60862:22291,COCC1CN(C(=O)Cn2cc(COc3ccccc3-n3ncc(S(C)(=O)=O)c3Br)nn2)CC12CCC2,RFIZIRIHMNZDGJ-UHFFFAOYSA-N
-rxn:1:60862:22303,COCC1CN(C(=O)Cn2cc(COc3ccccc3-n3ncc(S(C)(=O)=O)c3I)nn2)CC12CCC2,LGVZVALWXGVZNH-UHFFFAOYSA-N
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-rxn:1:60862:35146,C=CC(C)C(=O)Nc1ccncc1-c1cn(CC(=O)N2CC(COC)C3(CCC3)C2)nn1,RPTVMDJBLPCRSW-UHFFFAOYSA-N
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-rxn:1:60907:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN(C4CC4)C4CCSC4)nn3)c2C2CCCCC2)cc1,CKGPYCKHFXQAGW-UHFFFAOYSA-N
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-rxn:1:61031:4757,O=[N+]([O-])c1cccc(-c2csc3nc(SCc4cn(CCN5CCN(C6CCSCC6)CC5)nn4)nc(Cl)c23)c1,MLWBBRVSQLEGKL-UHFFFAOYSA-N
-rxn:1:61032:12714,CCC(=O)N=c1sc2cc(Br)ccc2n1Cc1cn(CCN2CCN(C3CCCCC3)CC2)nn1,WOAZUYITSFZTBT-UHFFFAOYSA-N
-rxn:1:61032:12890,CCC(=O)N=c1sc2cc(F)ccc2n1Cc1cn(CCN2CCN(C3CCCCC3)CC2)nn1,AGDCBKZISNOFNX-UHFFFAOYSA-N
-rxn:1:61032:15727,CCC(=O)N=c1sc2cccc(Cl)c2n1Cc1cn(CCN2CCN(C3CCCCC3)CC2)nn1,CGPXDIVQSKXNAT-UHFFFAOYSA-N
-rxn:1:61032:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CCN(C5CCCCC5)CC4)nn3)c2C2CCC2)cc1,JKYUFMXHTBEMOH-UHFFFAOYSA-N
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-rxn:1:61146:8297,CCOCC(=O)N1CC(n2cc(C(=O)N3CCCC(c4cccc(-n5ccnc5CC)n4)C3)nn2)C1,BBZRAFUDAWWALN-UHFFFAOYSA-N
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-rxn:1:61312:8114,CCOCCN1CC(n2cc(C(=O)N3CCCC(c4nc(N5CCCC5)ncc4-c4cccnc4)C3)nn2)C1,KGKZSDHKILSMRR-UHFFFAOYSA-N
-rxn:1:61324:10011,O=C(CN1CC(n2cc(Cn3ccc(C(=O)NC4CCCCCC4)cc3=O)nn2)C1)Nc1nccs1,SYOXPBQEOMCCOC-UHFFFAOYSA-N
-rxn:1:61364:4757,CC1CCN(C(=O)CN2CC(n3cc(CSc4nc(Cl)c5c(-c6cccc([N+](=O)[O-])c6)csc5n4)nn3)C2)CC1,RCXWMZCONMIERR-UHFFFAOYSA-N
-rxn:1:61433:21348,Cc1cccc(Cl)c1Cn1nc(C2CCCCC2)cc1-c1cn(Cc2ccc(C(=O)NC3CCCCCC3)o2)nn1,PMYNOLQQDZANAM-UHFFFAOYSA-N
-rxn:1:61474:3307,CN1CCCN(C(=O)c2ccc(Cn3cc(CC(=O)CC(N)C4CC4)nn3)s2)CC1,GAWDASJBODQCCK-UHFFFAOYSA-N
-rxn:1:61493:16131,CCN1CCN(C(=O)c2ccc(Cn3cc(-c4cn(-c5ccc(OC)c(C)c5)nc4CC4CCCC4)nn3)s2)CC1,FTPIKKGPLURAQE-UHFFFAOYSA-N
-rxn:1:61493:23405,CCN1CCN(C(=O)c2ccc(Cn3cc(-c4ccc(F)cc4OCC4CCCCC4)nn3)s2)CC1,NIDBXABYKPSPNP-UHFFFAOYSA-N
-rxn:1:61507:23905,CO[C@H]1C[C@H](n2cc(COc3ccc(C4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc3Cl)nn2)C1,SFTPWRMHRMSICI-STFKQGPRSA-N
-rxn:1:61550:16983,CN(C)CCn1ncc(-c2cn(Cc3cc(OS(=O)(=O)F)cc(C(=O)O)c3)nn2)c1C1CCCCC1,XATPZEQIASDUTQ-UHFFFAOYSA-N
-rxn:1:61550:17729,CN(C)CCn1nc(-c2cn(Cc3cc(OS(=O)(=O)F)cc(C(=O)O)c3)nn2)cc1C1CCCCC1,SFWPDUNTEWNRCU-UHFFFAOYSA-N
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-rxn:1:61922:29664,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1n1cc(-c2cc(N3CCC(C(F)(F)F)CC3)ccc2[N+](=O)[O-])nn1,LNHSGXFPQMZPQR-UHFFFAOYSA-N
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-rxn:1:62016:34005,CC(NC(=O)c1ccnc(N2CCOCC2)c1)c1cn(-c2ccc(C(=O)N3CCC(CCO)CC3)cc2)nn1,LAZJIRQMWOJAQF-UHFFFAOYSA-N
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-rxn:1:63067:10498,Cc1nc(SCc2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c2c(-c3ccc(Cl)cc3)csc2n1,KDCWFCBPJGGLKM-UHFFFAOYSA-N
-rxn:1:63067:16910,CN(C)C1(CN2CC(Cn3cc(CSc4nc5c(cnn5-c5ccc(Cl)cc5)c(=O)[nH]4)nn3)CC2=O)CCOCC1,YTUPXSWQNXLNMF-UHFFFAOYSA-N
-rxn:1:63067:17874,CN(C)C1(CN2CC(Cn3cc(-c4nccn4-c4ccc(S(C)(=O)=O)cc4)nn3)CC2=O)CCOCC1,BMGZSRCDGLNPCP-UHFFFAOYSA-N
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-rxn:1:63067:22798,CC(C)Cc1nn(-c2cncc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c2)c(Br)c1I,XUQCCTMOQSUAHC-UHFFFAOYSA-N
-rxn:1:63067:28987,CN(C)C1(CN2CC(Cn3cc(COCCn4[se]c5cccnc5c4=O)nn3)CC2=O)CCOCC1,AUXIGQOSHNECPJ-UHFFFAOYSA-N
-rxn:1:63067:29032,CN(C)C1(CN2CC(Cn3cc(COc4ccccc4-n4[se]c5ncccc5c4=O)nn3)CC2=O)CCOCC1,KYLKOTKZXMSHDX-UHFFFAOYSA-N
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-rxn:1:63316:8114,COc1ncc(N2CC(Cn3cc(C(=O)N4CCCC(c5nc(N6CCCC6)ncc5-c5cccnc5)C4)nn3)CC2=O)cc1Br,UGMIDZBXSNZRPR-UHFFFAOYSA-N
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-rxn:3:1911:56432:112952,C=CCN(C)Cc1cn(CC2CC2c2ccc(F)c(CC(=O)NC3CCCCCCC3)c2)nn1,YNCCEAPVRFGNHD-UHFFFAOYSA-N
-rxn:3:1911:57294:83031,C=CCN(C)Cc1cn(CCCc2ccc(C(=O)NC3C(F)(F)C34CCC4)s2)nn1,YAQMRUQBLFUTFF-UHFFFAOYSA-N
-rxn:3:23143:49937:73257,CCN1CC(c2cn(CC3C(c4cn[nH]c4C(=O)NSc4ccc(OC)cc4OC)C3(F)F)nn2)C1,UBJZLSITHHZPEV-UHFFFAOYSA-N
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-rxn:3:27839:59852:65938,Cc1ccc2c(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6COCCS(=O)(=O)C6)C5)C4)nn3)cccc2n1,VOSJIMKTNDJLBY-AUQBZJPASA-N
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-rxn:3:27842:59852:108806,Cc1cccc2nc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6CCC7(CCS(=O)(=O)CC7)O6)C5)C4)nn3)ccc12,WWQCWNHTUSIRQK-IOUQQSKQSA-N
-rxn:3:27842:59852:113048,Cc1cccc2nc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6CCOC67CCS(=O)(=O)CC7)C5)C4)nn3)ccc12,GPSLWYPSPNXRPB-PSLLBRLYSA-N
-rxn:3:27842:59852:65938,Cc1cccc2nc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6COCCS(=O)(=O)C6)C5)C4)nn3)ccc12,KAEXWXZQOOPCDR-AUQBZJPASA-N
-rxn:3:27843:59852:65938,Cc1ccc2nc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6COCCS(=O)(=O)C6)C5)C4)nn3)ccc2c1,MOCYOQQJKYGYIY-AIWDDEFCSA-N
-rxn:3:27942:47746:74250,CN(C)c1ccncc1-c1cn(-c2c(F)cc3c(=O)c(C(=O)NC4CCC[C@@H]5CC[C@H]45)cn(C4CC4)c3c2F)nn1,CYAJBMKMIKGPNT-LEMITICQSA-N
-rxn:3:28143:43162:69859,CN(C)[C@H]1CC[C@@H](c2cn(CC#Cc3ccc(F)c(CC(=O)N[C@H]4CC[Se]C4)c3)nn2)CC1,SMMYGMRYSUJGIH-ILWGZMRPSA-N
-rxn:3:29221:59852:65938,Cc1ccncc1-c1cccc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5COCCS(=O)(=O)C5)C4)C3)nn2)c1,AUPPJNJILYJQSJ-MQECAZAOSA-N
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-rxn:3:31769:42128:81017,C[Si](C)(C)OCCNC(=O)c1sccc1C#CCn1cc(C2=CCC(F)(F)CC2)nn1,UEIRJSMQOYWGDX-UHFFFAOYSA-N
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-rxn:3:59852:18814:132818,CC(C1CCCCC1)n1nccc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCCc4ccc(S(=O)(=O)F)s4)C3)C2)nn1,GWWHWQYHORZOPX-AIWDDEFCSA-N
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-rxn:3:62466:16912:151955,CC(C)Cc1c(-c2cn(C3CCC(C(=O)Nc4ccc5ccc(OS(=O)(=O)F)cc5c4)C4CCC43)nn2)cnn1C1CCSC1,BTVVFTMNGOVQFL-UHFFFAOYSA-N
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-rxn:2:101607:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC(C)C(c1ccccc1)N1CCN(C)CC1,MAMMPKGOURFQOP-UHFFFAOYSA-N
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-rxn:2:104192:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC[C@@H]1C[C@H](F)CN1Cc1nccn1C,PQWBANDYEVOPAD-BEEDKBRMSA-N
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-rxn:2:104707:85115,CCS(=O)(=O)OCC1CCC(Nc2cc(OC)ccc2OC2COC2)C1,AINUCILHMYPCFG-UHFFFAOYSA-N
-rxn:2:104838:145535,COc1cc(-c2ccc3c(ccn3C)c2)cnc1C(C)NCC1(CN(C)C2CCN(C)C2)COC1,YBCWKWDFHVDLNJ-UHFFFAOYSA-N
-rxn:2:105834:100118,CC(NCC1CN(C2CCS(=O)(=O)C2)C(C)(C)C1)c1ccc(N2CC3CCC2C3)cc1,YEHUHUNYTGPHRJ-UHFFFAOYSA-N
-rxn:2:106131:122881,CC(NCCC(c1ccccn1)N1CCN(C)CC1)c1ccccc1OCC1CCCN(C)C1,LYSXAQKEQACIQI-UHFFFAOYSA-N
-rxn:2:106187:113378,COc1ccccc1CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cccs1,QHAUHHXDEAJCRZ-UHFFFAOYSA-N
-rxn:2:106221:144085,CCN1CCc2c(cc(C(C)NCC3(N(C)C)CCOCC3)c(=O)n2C2CC2)C1,GPZDCDQINGRZHW-UHFFFAOYSA-N
-rxn:2:106221:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)C)CCOCC1,LPFZXHJZAQTVSR-UHFFFAOYSA-N
-rxn:2:106436:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC12CC3CC(C1)CC(N(C)C)(C3)C2,YQKOGJXQXFBXNS-UHFFFAOYSA-N
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-rxn:2:107600:126124,CCC(NCCC1CC1c1ccccc1S(C)(=O)=O)C1CCCCN1C1CC1,BCLUXRUHPSYXLW-UHFFFAOYSA-N
-rxn:2:108524:116620,CC(C)C(CN1CCCN(C)CC1)NC(c1ccccc1)C1(F)CCCCC1,OKZBHLKXHNJCOQ-UHFFFAOYSA-N
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-rxn:2:108765:112383,CC(C)C(C)N(C)C1(CNC2CCC3C2C3(F)F)CCCCCC1,HDIZIBMDBCHBKZ-UHFFFAOYSA-N
-rxn:2:108806:143151,CC(NCC1CCC2(CCS(=O)(=O)CC2)O1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,YGFBBFFCEQBGFD-UHFFFAOYSA-N
-rxn:2:108806:144063,CC(NCC1CCC2(CCS(=O)(=O)CC2)O1)c1ccccc1-c1ccc(S(C)(=O)=O)nc1,BIJMJQNKDCDZHD-UHFFFAOYSA-N
-rxn:2:108806:162583,CS(=O)(=O)n1cc(-c2ccc(C(NCC3CCC4(CCS(=O)(=O)CC4)O3)C3CC3)cc2)cn1,NMEZBPGTEWBKBQ-UHFFFAOYSA-N
-rxn:2:108806:166857,Cc1ccc(C(CSc2n[nH]c(=O)[nH]c2=O)NCC2CCC3(CCS(=O)(=O)CC3)O2)cc1,KMVUBMZJYBCKDB-UHFFFAOYSA-N
-rxn:2:109246:112383,CCC(NCC1(N(C)C(C)C(C)C)CCCCCC1)C1(F)CC1,OUMGKLKSKQWHDH-UHFFFAOYSA-N
-rxn:2:109592:118898,CON(C)C(C)C(NC(C)C1CC(C)CC(C)(C)C1)c1ccc(C)cc1,IDDMYRUWDUINSH-UHFFFAOYSA-N
-rxn:2:110127:148296,Cc1sc(NC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)nc1C12CC3CC(CC(C3)C1)C2,KHOBNJSHALRGPX-UHFFFAOYSA-N
-rxn:2:110440:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCS(=O)(=O)C2CCOCC2)cn1,PKTJLOPZSAMRHO-UHFFFAOYSA-N
-rxn:2:110440:162583,CS(=O)(=O)n1cc(-c2ccc(C(NCCS(=O)(=O)C3CCOCC3)C3CC3)cc2)cn1,KRNGWTFOFHXEOV-UHFFFAOYSA-N
-rxn:2:110935:153696,CCCC(NCC(C)C(C1CCN(C)C1)N(C)C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,REEUGJMJTNBJGV-UHFFFAOYSA-N
-rxn:2:111538:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3N[C@H]2CC[C@H](OS(C)(=O)=O)CC2)cn1,VKCSNAGONCITCF-PTEGZUARSA-N
-rxn:2:111610:121789,COc1ccc(C(CN2CCC(C)CC2)NC2(COS(=O)(=O)[O-])CCCC2)cc1,WJHWKAARZWGVJO-UHFFFAOYSA-M
-rxn:2:111610:122000,Cc1ccc([C@@H]2CC(NC3(COS(=O)(=O)[O-])CCCC3)C[C@H](C)O2)s1,GSLJAOGLMSDFBA-JDLVMGNASA-M
-rxn:2:111610:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC1(COS(=O)(=O)[O-])CCCC1,SXSWOYYCBQVPIQ-UHFFFAOYSA-M
-rxn:2:111610:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NC2(COS(=O)(=O)[O-])CCCC2)cc1,RBVPHJKYCSUTOY-UHFFFAOYSA-M
-rxn:2:111724:156195,CC(NC1CCCCCC1N(C)C1CCCN(C)C1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,BFAAGXPTOFNEIM-UHFFFAOYSA-N
-rxn:2:111734:129440,CC(C)CCCC1(NC(C)c2ccc(C(C)C)[nH]c2=O)CCN(C)CC1,GHEBTJPDNLAHGR-UHFFFAOYSA-N
-rxn:2:113114:114309,CC(CN1CCOCC1)NC(CN1CCN(C)CC1)c1cccn1C,WIWLSWPPYJAHPJ-UHFFFAOYSA-N
-rxn:2:113160:147883,CCN1CCN(c2cccc(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)c2OC)CC1,WWQSKEJBTYYBOM-UHFFFAOYSA-N
-rxn:2:113378:144476,CN(C)c1ccc(C(NOCC2CCN(C3CCS(=O)(=O)C3)CC2)c2cccnc2)cc1,NFZRBYKYVCJNSC-UHFFFAOYSA-N
-rxn:2:113378:149364,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccc(S(=O)(=O)c2ccccc2)s1,FMPKTNCRUUXFQB-UHFFFAOYSA-N
-rxn:2:113378:155721,CCS(=O)(=O)c1ccc(-c2cccnc2C(C)NOCC2CCN(C3CCS(=O)(=O)C3)CC2)cc1,DJBPLACXTPOPRP-UHFFFAOYSA-N
-rxn:2:115234:127862,CC(C)C(C)N(C)CC(NCCC1(N(C)C)CCSCC1)c1ccc[nH]1,LNQSPSILSZRJOT-UHFFFAOYSA-N
-rxn:2:116647:143973,CN(CC1CCCO1)c1ncc(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)s1,AVHYTMNFMKYXTI-UHFFFAOYSA-N
-rxn:2:117286:144085,CCN1CCc2c(cc(C(C)NCCC3(N(C)C)CCCC3)c(=O)n2C2CC2)C1,LYGBBZDACWJMDW-UHFFFAOYSA-N
-rxn:2:117416:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCc1ccnn1C1CCCS(=O)(=O)C1,VGPUENNWZHLMFV-UHFFFAOYSA-N
-rxn:2:117741:148941,CC(CN1CCCC(N2CCCCC2)CC1)NC(C)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,PKOLGYLCQZJYBF-UHFFFAOYSA-N
-rxn:2:118776:158113,CN(CC1(CNC(c2ccc(N3CCOCC3)cc2)c2ccsc2)COC1)C1CCS(=O)(=O)C1,NVLPODMBBGLFTP-UHFFFAOYSA-N
-rxn:2:118776:166857,Cc1ccc(C(CSc2n[nH]c(=O)[nH]c2=O)NCC2(CN(C)C3CCS(=O)(=O)C3)COC2)cc1,PHHXKNWLYRUWSE-UHFFFAOYSA-N
-rxn:2:118859:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC12CCC(N(C)C)(CC1)CC2,HCXCOATYQQEPLD-UHFFFAOYSA-N
-rxn:2:118922:143818,CCC(NC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)C(C)N(C)C1CCCCCC1,VUHOUAPWGYODCY-UHFFFAOYSA-N
-rxn:2:118922:162103,CCC(NCC(c1ccc2cc(OC)ccc2c1)N(C)C)C(C)N(C)C1CCCCCC1,AJZVRFFTMJLCGE-UHFFFAOYSA-N
-rxn:2:119979:140318,Cc1cccc(C(CSC2COC2)NC2CCCCC2OS(C)(=O)=O)c1,AOCPLRUBDJATFF-UHFFFAOYSA-N
-rxn:2:121050:166857,Cc1ccc(C(CSc2n[nH]c(=O)[nH]c2=O)NC2(CN3CCS(=O)(=O)CC3)CCCCC2)cc1,NOPQAVFFKOHNGQ-UHFFFAOYSA-N
-rxn:2:121530:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)C)CCCC(C)C1,VNVNKBZSMIJXQJ-UHFFFAOYSA-N
-rxn:2:121827:144085,CCN1CCc2c(cc(C(C)Nc3cccnc3N3CCN4CCCC4C3)c(=O)n2C2CC2)C1,NAWJPBNBZDJMRQ-UHFFFAOYSA-N
-rxn:2:121980:144085,CCN1CCc2c(cc(C(C)NCC3CCN(Cc4nccn4C)CC3)c(=O)n2C2CC2)C1,GKJFDWPEFKQTRJ-UHFFFAOYSA-N
-rxn:2:122282:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCC1(N(C)C)CCN(C)C1,ZYOHWSYXSVKJHA-UHFFFAOYSA-N
-rxn:2:122356:147883,COCCN1CCOc2ccc(CNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)cc2C1,UKELUNNPJSLQBE-UHFFFAOYSA-N
-rxn:2:124710:130197,CCC(NCc1c(C(C)C)cc(C(C)C)[nH]c1=O)c1ccc(N2CCN(C)CC2)nc1C,HMEKHQSVZFUALB-UHFFFAOYSA-N
-rxn:2:125092:158492,CC(CC(c1ccccn1)N1CCN(C)CC1)NCC(C)C(c1ccc2oc(=O)[nH]c2c1)N(C)C,NBSAVUJHDDBUPT-UHFFFAOYSA-N
-rxn:2:126549:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1cc(=O)[nH]n1C1CCS(=O)(=O)CC1,YIUWPOSWLPQFFL-UHFFFAOYSA-N
-rxn:2:126811:159204,CCC(C)C(CN1CCCN(C)CC1)NC(c1ccc(-c2ccc3oc(=O)[nH]c3c2)cc1)C(C)C,KGTYWRLDCUOVAR-UHFFFAOYSA-N
-rxn:2:126811:170811,CCC(C)C(CN1CCCN(C)CC1)NC(c1ccc(-c2ccc3c[nH]c(=O)cc3c2)cc1)C(C)C,SGFROHDISXVMPN-UHFFFAOYSA-N
-rxn:2:127430:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC1c2ccccc2CCC1N(C)C1CC1,IASZAIZEUSOXNP-UHFFFAOYSA-N
-rxn:2:127473:164678,COc1cc(O[C@@H]2CCOC2)ccc1NC1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1,OAPFFUBOUSQZFD-GZNCHQMQSA-N
-rxn:2:127832:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)N[C@H](c1ccc(S(C)(=O)=O)cc1)C1CCC1,HXNSUXIOWOPCHK-KESSSICBSA-N
-rxn:2:128480:153696,CCCC(NC(CC)C(C)N1CCC(OC)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,QROQRLKYPKUXCM-UHFFFAOYSA-N
-rxn:2:128637:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1(N(C)C)CCOCC1,CPAVOQKPKHCTOS-UHFFFAOYSA-N
-rxn:2:128765:156119,CC(NCC(C)(C(C)C)N1CCC(N(C)C)CC1)c1cccc2c(=O)n(C)ccc12,WBJBZPKGCIFUOR-UHFFFAOYSA-N
-rxn:2:129482:152807,COS(=O)(=O)c1ccc(-c2ccsc2C(C)NCC(CC2CCCC2)C2CCS(=O)(=O)C2)cc1,MJSNSTCCHJKLQF-UHFFFAOYSA-N
-rxn:2:131298:144085,CCN1CCc2c(cc(C(C)NCCC3(N(C)C)CCCCC3)c(=O)n2C2CC2)C1,LSBFFUAGLZQPPG-UHFFFAOYSA-N
-rxn:2:131357:133840,CC(CCCCn1[nH]c(=O)ccc1=O)Nc1ccc(C2CCN(C)CC2)nc1OC(C)C,DUQBBWBPLQUJQH-UHFFFAOYSA-N
-rxn:2:134135:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC1CCCCC1N(C)Cc1ccccn1,RLSQWZCQNDFVRH-UHFFFAOYSA-N
-rxn:2:134428:166041,COc1ccc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)c(OC2CCC2)c1,UMGWFTYXMKHOSA-UHFFFAOYSA-N
-rxn:2:135816:164678,COc1cc(NC2CCC(OS(=O)(=O)c3ccc(C)cc3)CC2)ccc1O[C@@H]1CCOC1,AUYKHQOGZXKBKN-DQVLVPHSSA-N
-rxn:2:136378:139373,COc1ccc(S(=O)(=O)F)cc1NC1CCN(CCOS(C)(=O)=O)CC1,RLGPEFTUOMEZQC-UHFFFAOYSA-N
-rxn:2:137448:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1(C(C(C)C)N(C)C)CC1,RRXVUFXTDJHTTE-UHFFFAOYSA-N
-rxn:2:137448:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(C(C(C)C)N(C)C)CC1,SZXRIGMCHYIEKS-UHFFFAOYSA-N
-rxn:2:138351:155721,CCS(=O)(=O)c1ccc(-c2cccnc2C(C)NCC2CCN(C3CCS(=O)(=O)C3)CC2)cc1,VAUYPMLVWHRIDB-UHFFFAOYSA-N
-rxn:2:138351:166857,Cc1ccc(C(CSc2n[nH]c(=O)[nH]c2=O)NCC2CCN(C3CCS(=O)(=O)C3)CC2)cc1,DVTBJSABZAYKKG-UHFFFAOYSA-N
-rxn:2:138546:164084,CC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1ccc2oc(=O)n(C3CCN(C)CC3)c2c1,BVULAWRUHDGSBW-UHFFFAOYSA-N
-rxn:2:138668:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCC1(C2CCS(=O)(=O)C2)CC1,BXDUSWGBYGQMGS-UHFFFAOYSA-N
-rxn:2:139166:153696,CCCC(NCCC1CN(C)CC(C)CN1CC(C)C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,HTUOKSBLFKXGAT-UHFFFAOYSA-N
-rxn:2:139652:164678,COc1c(COC2CCC2)cccc1NC1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1,VHHGTEDFCKFQSR-UHFFFAOYSA-N
-rxn:2:141898:153696,CCCC(NCC1(N(CC)CC)CCN(C)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,RAUZKGYWHJXPJI-UHFFFAOYSA-N
-rxn:2:144940:144085,CCN1CCc2c(cc(C(C)Nc3ccc4ccnc(N5CCN(C)CC5)c4c3)c(=O)n2C2CC2)C1,KWPDPAKWSDLTHC-UHFFFAOYSA-N
-rxn:2:146542:144085,CCN1CCc2c(cc(C(C)Nc3ccc4nc(N5CCN(C)CC5)ccc4c3)c(=O)n2C2CC2)C1,VYJUJOUZSQLJOA-UHFFFAOYSA-N
-rxn:2:151100:144085,CCN1CCc2c(cc(C(C)Nc3cccc4ccc(N5CCN(C)CC5)nc34)c(=O)n2C2CC2)C1,BZVQCHDOXJGHJK-UHFFFAOYSA-N
-rxn:2:153663:163298,Cc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)n1NC(C)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1,ZLJRALKNQDQHDM-UHFFFAOYSA-N
-rxn:2:154914:144085,CCN1CCc2c(cc(C(C)Nc3ccc(N4CCN(C)CC4)c4ccncc34)c(=O)n2C2CC2)C1,RLOQZSZGXPZYKC-UHFFFAOYSA-N
-rxn:2:156747:144085,CCN1CCc2c(cc(C(C)NC3CN(C)CCC3c3ccc4occc4c3)c(=O)n2C2CC2)C1,NRTDLXHQBRHTMM-UHFFFAOYSA-N
-rxn:2:161008:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCc1cc(=O)[nH]n1C1CCCS(=O)(=O)C1,BRCMLBYDVVHGBW-UHFFFAOYSA-N
-rxn:2:166055:144085,CCN1CCc2c(cc(C(C)NC3CC(c4cc5ncccc5n4C)CN(C)C3)c(=O)n2C2CC2)C1,HZMBCYIFYADXBJ-UHFFFAOYSA-N
-rxn:2:167978:90977,CN(CC1CCCCC1Nc1ccccc1-c1ccc(S(C)(=O)=O)cc1)C1CCOCC1,OFGBSZSZVKLGRZ-UHFFFAOYSA-N
-rxn:2:65960:143818,CC(C)CCC1(CNC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CCCOC1,SRUQNVGHMLLVMA-UHFFFAOYSA-N
-rxn:2:66244:163337,CCOc1ccccc1-c1cc(C(C)NCC2(N(C)C)CCC(C(C)(C)C)CC2)c(=O)[nH]n1,YWQWDUAXMVSXBT-UHFFFAOYSA-N
-rxn:2:66276:76702,Cc1ccc(C(CCN2CCCCC2)NC[C@]23C[C@H]2CS(=O)(=O)C3)cc1,RACFCYLECSMPCX-YSTUSHMSSA-N
-rxn:2:66355:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NC1CCC2(CC1)CS(=O)(=O)C2,QRJIBNJTKBUJOR-UHFFFAOYSA-N
-rxn:2:67663:166041,COc1ccc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)c(OC2CCCC2)c1,AMZKQTIDHKAEKW-UHFFFAOYSA-N
-rxn:2:68740:91308,CCC(NCC(C(C)c1ccc2c(c1)CCC2)N(C)C)C1CCC(F)(F)CC1,KRCFGEFOQLYGLK-UHFFFAOYSA-N
-rxn:2:68985:159204,CC(C)C(NCC1(N2CCN(C)CC2)CCN(C)CC1)c1ccc(-c2ccc3oc(=O)[nH]c3c2)cc1,PQUGXLZQRIJZDJ-UHFFFAOYSA-N
-rxn:2:68985:170811,CC(C)C(NCC1(N2CCN(C)CC2)CCN(C)CC1)c1ccc(-c2ccc3c[nH]c(=O)cc3c2)cc1,MBMAKSALUCSNBR-UHFFFAOYSA-N
-rxn:2:68985:171048,CC(C)C(NCC1(N2CCN(C)CC2)CCN(C)CC1)c1ccc(-c2cccc3cc[nH]c(=O)c23)cc1,JDACZVVXWZMHJG-UHFFFAOYSA-N
-rxn:2:69008:70352,CN(C1CCS(=O)(=O)C1)C1CCCCC1NCC1CC1c1cc(-c2ccccc2)cs1,NSYAKBDRRLLHIO-UHFFFAOYSA-N
-rxn:2:69013:166857,Cc1ccc(C(CSc2n[nH]c(=O)[nH]c2=O)NC2(C3CCS(=O)(=O)C3)CCCCC2)cc1,NWWAGIVJSOKKFR-UHFFFAOYSA-N
-rxn:2:69057:77326,CCC(NC(C)c1c(C(C)C)cc(C(C)C)[nH]c1=O)c1ccc(N2CCN(C)CC2)nc1,AYKMLVQMBRHSDY-UHFFFAOYSA-N
-rxn:2:69185:130197,CCC(Nc1cccc(OCCN2CCN(C)CC2)c1)c1ccc(N2CCN(C)CC2)nc1C,XQVBYKUIOKMXFW-UHFFFAOYSA-N
-rxn:2:69846:147524,CCc1nc2cc(C(CCN3CCCC3)NCC3(F)CCCN(C)CC3)ccc2[nH]1,KKMBCMKHJLPFBP-UHFFFAOYSA-N
-rxn:2:70031:164084,CCc1cc(NC(C)c2ccc3oc(=O)n(C4CCN(C)CC4)c3c2)ccc1N1CCN(C)CC1,BZCGIXDDBQBVCX-UHFFFAOYSA-N
-rxn:2:70422:75013,CC(NCc1cccnc1OCC1CCCN(C)C1)c1cccc(C23CCN(C)CC2C3)c1,UUWFDZBBINKQDQ-UHFFFAOYSA-N
-rxn:2:70529:133840,COC1CCN(CC#CCNC(C)CCCCn2[nH]c(=O)ccc2=O)CC1,FAXZKTLFSDRYAH-UHFFFAOYSA-N
-rxn:2:70666:143818,CC1CCC(NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)C(N(C)C(C)C2CC2)C1,CTIPFFWJYAYVMN-UHFFFAOYSA-N
-rxn:2:70666:144196,CC1CCC(NC(c2ccc(-c3cccc4nc[nH]c(=O)c34)cc2)C(C)C)C(N(C)C(C)C2CC2)C1,CNTFYDFXDLUTLA-UHFFFAOYSA-N
-rxn:2:70666:164321,CC1CCC(NC(c2ccc(-c3ccc4[nH][nH]c(=O)c4c3)cc2)C(C)C)C(N(C)C(C)C2CC2)C1,YKSFNVUNFCYIDW-UHFFFAOYSA-N
-rxn:2:70683:136895,COCc1cc(OS(=O)(=O)F)ccc1NC1CCN(CCOC(C)C)CC1,YPFAYXZYWZDAME-UHFFFAOYSA-N
-rxn:2:71125:73334,CCn1ncc(C#CCO[Si](C)(C)C)c1C(C)Nc1cc(=O)[nH]n1C(C)C1(C)CC1,GGDIGROFCLZTCS-UHFFFAOYSA-N
-rxn:2:71481:120702,CC(C)C1C(F)(F)C12CCC(NC(CN(C)C1CCN(C)CC1)c1ccccc1)CC2,BIPDRYRBCLFWJP-UHFFFAOYSA-N
-rxn:2:71594:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)C)CCN(Cc2ccccc2)CC1,JQHCKFXRBQGHHC-UHFFFAOYSA-N
-rxn:2:71828:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1ccc(N2CCCC(N(C)C)C2)cc1,NQRBAHQVHYDAPJ-UHFFFAOYSA-N
-rxn:2:72504:107304,CC(C)C(NCC1(N(C)C)CCC(F)(F)CC1)c1ccc2c(n1)CCCC2,QCJDOWSUXPPTMK-UHFFFAOYSA-N
-rxn:2:72538:83028,CC(CN1CCC(N(C)C)CC1)NC(COC(C)C)c1cccn1C,WRAMLTMWQPKFLD-UHFFFAOYSA-N
-rxn:2:72660:158733,COc1ccc(C(C)Nc2ncc(S(=O)(=O)C3CC3)cc2OC)cc1OC(C)C1CCCN(C)C1,ZCDIVIOVFTYDKX-UHFFFAOYSA-N
-rxn:2:72660:164678,COc1cc(S(=O)(=O)C2CC2)cnc1NC1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1,GHJXCPKRMBANIW-UHFFFAOYSA-N
-rxn:2:72772:166041,COc1cc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC1CCOC1,YAIBMCFXQZJDMJ-UHFFFAOYSA-N
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-rxn:2:87838:166041,Cc1ccc(N2CCC[C@@H]2CNC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)cc1,WXWSBEBAFSCWTR-OOEPIQFGSA-N
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-rxn:2:88341:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCc2cn(C3CCCCC3)c(=O)[nH]c2=O)cc1,PWUIAHLWJPXICN-UHFFFAOYSA-N
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-rxn:2:89450:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC(C)C(c1ccco1)N1CCN(C)CC1,PTWYERQELBBUFR-UHFFFAOYSA-N
-rxn:2:89504:111734,CC(C)CCCC1(NC(C)CCCn2ncccc2=O)CCN(C)CC1,PYNLMEOVMAIUPL-UHFFFAOYSA-N
-rxn:2:89533:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1ccc(N2CCC(N(C)C)CC2)cc1,HXHUAVJVBXOGEC-UHFFFAOYSA-N
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-rxn:2:91379:69187,CCOc1ccc(C)cc1C(CN1CCCC1)Nc1ccccc1N1CCC(N(C)C)CC1,QQPNGCOFHZQEIW-UHFFFAOYSA-N
-rxn:2:91379:95612,CCOc1ccccc1C(CN1CCCCC1)Nc1ccccc1N1CCC(N(C)C)CC1,LMIMPYIENCQWRC-UHFFFAOYSA-N
-rxn:2:91653:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1cccc(S(=O)(=O)C2CCOCC2)c1,RDZFYUVLHWBFHV-UHFFFAOYSA-N
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-rxn:2:92143:147883,COCCN1CCN(c2ccc(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)cn2)CC1,CAHKQTWWMRDTFJ-UHFFFAOYSA-N
-rxn:2:92303:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCc1cccnc1N1CCCN(C)CC1,GBCAHOXIGDJQLA-UHFFFAOYSA-N
-rxn:2:92431:130197,CCC(NCC1(c2cc(C(C)C)ccc2OC)CN(C)C1)c1ccc(N2CCN(C)CC2)nc1C,NTRMXJZIIBVZSO-UHFFFAOYSA-N
-rxn:2:93924:164678,COc1cc(O[C@H]2CCOC2)ccc1NC1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1,OAPFFUBOUSQZFD-GRERDSQWSA-N
-rxn:2:94028:143151,CC(NCC(C1CCOC1)N1CCOCC1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,IDOYOLBNDYDRBU-UHFFFAOYSA-N
-rxn:2:95209:96603,CC(C)c1cc(C(C)NCC2(N(C)C(C)C3CC3)CCSC2)c(=O)[nH]n1,PRAXJMQROFKNPF-UHFFFAOYSA-N
-rxn:2:96530:152807,COS(=O)(=O)c1ccc(-c2ccsc2C(C)NCCC2CCN(C3CCS(=O)(=O)C3)C2)cc1,IYLMNVSCTGGNIJ-UHFFFAOYSA-N
-rxn:2:97141:144085,CCN1CCc2c(cc(C(C)NCC3(N(C)C)CCCC3)c(=O)n2C2CC2)C1,SGQHCTRNAKWWQY-UHFFFAOYSA-N
-rxn:2:97141:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)C)CCCC1,ZGUCWWFNWKZXRL-UHFFFAOYSA-N
-rxn:2:97404:146079,Cc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1C(C)NCC1(N2CCOCC2)CCS(=O)(=O)CC1,WOQRDEZITCFUAA-UHFFFAOYSA-N
-rxn:2:98368:144085,CCN1CCc2c(cc(C(C)NCC3(N(C)C)CCCCCC3)c(=O)n2C2CC2)C1,LZXWPVSNHVVMND-UHFFFAOYSA-N
-rxn:2:98368:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCC1(N(C)C)CCCCCC1,KAGRNGJBIJTDEZ-UHFFFAOYSA-N
-rxn:2:99547:147883,CCC(NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C)C(c1ccccn1)N1CCN(C)CC1,CMDFNYFAPFEXTC-UHFFFAOYSA-N
-rxn:3:1056:40920:94847,Cc1ccnn1Cc1cn(CC=Cc2nccc(C(=O)N[C@H]3CC[C@H](OCC(C)C)CC3)c2F)nn1,TZVDAPHSAFFTPP-AQYVVDRMSA-N
-rxn:3:1156:40920:94847,CCn1ccnc1-c1cn(CC=Cc2nccc(C(=O)N[C@H]3CC[C@H](OCC(C)C)CC3)c2F)nn1,NUNHLYACGACQPD-MXVIHJGJSA-N
-rxn:3:16813:61523:83031,CC(C)c1c(CN(C)C)cnn1Cc1cn(C2(C(=O)NC3C(F)(F)C34CCC4)CCC2)nn1,YMEMWTLSGNSAMY-UHFFFAOYSA-N
-rxn:3:16823:55763:83860,CC(C)c1c(-c2cn(CC3CC3c3cnc(C(=O)Nc4cccc(OS(=O)(=O)F)c4)nc3)nn2)cnn1C1CCCCC1,PMMNJSYUFZTANV-UHFFFAOYSA-N
-rxn:3:16823:55763:92547,CC(C)c1c(-c2cn(CC3CC3c3cnc(C(=O)Nc4ccc(OS(=O)(=O)F)cc4)nc3)nn2)cnn1C1CCCCC1,AGSKOJIFACTXLF-UHFFFAOYSA-N
-rxn:3:17569:55763:92547,CCc1cc(-c2cn(CC3CC3c3cnc(C(=O)Nc4ccc(OS(=O)(=O)F)cc4)nc3)nn2)nn1C1CCCCC1,PNQNGRVBPQBAAW-UHFFFAOYSA-N
-rxn:3:17644:56471:69859,CN(C)CCn1nc(-c2cn(CC3CC3c3c(F)cc(C(=O)N[C@H]4CC[Se]C4)cc3F)nn2)cc1C1CCCC1,FRDJLASDZXHBBS-ORFBVSJDSA-N
-rxn:3:17876:55465:117987,Cc1c(NC(=O)c2cnc(C3CC3Cn3cc(-c4nccn4C4CCCC4)nn3)s2)cccc1S(=O)(=O)C1CCCC1,QEVRXZWHXDEVIV-UHFFFAOYSA-N
-rxn:3:18135:56436:96838,CCn1nc2c(c1-c1cn(CC3CC3c3ccc(CC(=O)NC4COCOC4)c(F)c3)nn1)CN(C)CC2,IBHWHDAWLJPEIC-UHFFFAOYSA-N
-rxn:3:18502:62323:83031,Cc1cn(CCN(C)C)nc1-c1cn(CC(C)C(=O)NC2C(F)(F)C23CCC3)nn1,MOMNUMBVDWPQRJ-UHFFFAOYSA-N
-rxn:3:18591:59842:129999,O=C(Nc1ccccc1OS(=O)(=O)F)[C@H]1CC=C[C@H](n2cc(-c3nn(C4CCCCC4)cc3C3CCC3)nn2)C1,OAUFRVWBWZKCIT-UNMCSNQZSA-N
-rxn:3:18593:59446:129999,O=C(Nc1ccccc1OS(=O)(=O)F)[C@H]1C[C@@H](n2cc(-c3nn(C4CCSCC4)cc3C3CCC3)nn2)C1,GCFIOSHVUGHHAM-IZAXUBKRSA-N
-rxn:3:18593:59446:83860,O=C(Nc1cccc(OS(=O)(=O)F)c1)[C@H]1C[C@@H](n2cc(-c3nn(C4CCSCC4)cc3C3CCC3)nn2)C1,ZVCPOJLSTQDEDL-MSEWRSJXSA-N
-rxn:3:18593:59842:129999,O=C(Nc1ccccc1OS(=O)(=O)F)[C@H]1CC=C[C@H](n2cc(-c3nn(C4CCSCC4)cc3C3CCC3)nn2)C1,IHMHMGVHSKHTEO-FPOVZHCZSA-N
-rxn:3:18593:59842:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)[C@H]1CC=C[C@H](n2cc(-c3nn(C4CCSCC4)cc3C3CCC3)nn2)C1,SZDKJIWEAXYUGD-GMAHTHKFSA-N
-rxn:3:18593:59937:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)C12CCC(n3cc(-c4nn(C5CCSCC5)cc4C4CCC4)nn3)C1C2,KYUKARBSYZVLJW-UHFFFAOYSA-N
-rxn:3:18622:40856:126993,Cc1nn(CCCN(C)C)cc1-c1cn(C2(C(=O)NC3CC(F)(F)C3C)CC2)nn1,RXMHQIGIJBZEGZ-UHFFFAOYSA-N
-rxn:3:18622:61523:126993,Cc1nn(CCCN(C)C)cc1-c1cn(C2(C(=O)NC3CC(F)(F)C3C)CCC2)nn1,DHEIIUJHPHWMRQ-UHFFFAOYSA-N
-rxn:3:18622:62154:83031,Cc1nn(CCCN(C)C)cc1-c1cn([C@@H](C)C(=O)NC2C(F)(F)C23CCC3)nn1,ICPOYNUJYASFPH-PIVQAISJSA-N
-rxn:3:18650:45159:83031,CCc1nn(CCN(C)C)cc1-c1cn(-c2ccc(CCC(=O)NC3C(F)(F)C34CCC4)cc2)nn1,WSFVSULIEDTELW-UHFFFAOYSA-N
-rxn:3:1911:40920:86921,C=CCN(C)Cc1cn(CC=Cc2nccc(C(=O)NC3(C)CCCOC3)c2F)nn1,YWWOZHHHWJFGGR-UHFFFAOYSA-N
-rxn:3:1911:49115:83031,C=CCN(C)Cc1cn(CC(OC)C(=O)NC2C(F)(F)C23CCC3)nn1,MWCIEKQERCKBGC-UHFFFAOYSA-N
-rxn:3:1911:61795:83031,C=CCN(C)Cc1cn(CC(C)(C)C(=O)NC2C(F)(F)C23CCC3)nn1,BMQCFBSBYSSYBL-UHFFFAOYSA-N
-rxn:3:23799:43242:117699,CSc1ncc(C#CCn2cc(C3(n4cccn4)CCCC3)nn2)c(C(=O)NCCCCS(=O)(=O)F)n1,CHGQHNRIIXXZKR-UHFFFAOYSA-N
-rxn:3:23807:42987:117699,C[C@@H](C(=O)NCCCCS(=O)(=O)F)n1cc(C#CCn2cc(C3(n4cncn4)CCC3)nn2)cn1,FVOXCWQBBGSEDQ-KRWDZBQOSA-N
-rxn:3:23807:43242:117699,CSc1ncc(C#CCn2cc(C3(n4cncn4)CCC3)nn2)c(C(=O)NCCCCS(=O)(=O)F)n1,CPWGYFFKAKLBQY-UHFFFAOYSA-N
-rxn:3:23808:42987:134099,C[C@@H](C(=O)NCCCS(=O)(=O)F)n1cc(C#CCn2cc(C3(n4cncn4)CCCC3)nn2)cn1,DVCCIGJYYMXGCA-KRWDZBQOSA-N
-rxn:3:23808:43242:117699,CSc1ncc(C#CCn2cc(C3(n4cncn4)CCCC3)nn2)c(C(=O)NCCCCS(=O)(=O)F)n1,OGZUYRXDTVYLGZ-UHFFFAOYSA-N
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-rxn:3:44515:20057:68168,CCc1cc(-c2cn(CCC#Cc3cc(C(=O)NC4CCCCC4)ccn3)nn2)n(CC2CC2(F)F)n1,MRMJHMBVULLGAK-UHFFFAOYSA-N
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-rxn:3:44517:20057:68168,CCc1cc(-c2cn(CCC#Cc3ccc(C(=O)NC4CCCCC4)cn3)nn2)n(CC2CC2(F)F)n1,OAJBCRCTXKPEBQ-UHFFFAOYSA-N
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-rxn:3:44520:18745:68168,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCC#Cc2ccnc(C(=O)NC3CCCCC3)c2)nn1,DQRLMJNRQMLOEX-UHFFFAOYSA-N
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-rxn:3:44848:23143:67068,CCN1CC(c2cn(CCC#Cc3cnc(C(=O)N[C@@H]4CCC4(F)F)c(C)c3)nn2)C1,ATBGXEMNKMMTLE-LJQANCHMSA-N
-rxn:3:44848:23143:67830,CCN1CC(c2cn(CCC#Cc3cnc(C(=O)NC(C)CC(C)(F)F)c(C)c3)nn2)C1,LKEUBUKBKFFNNS-UHFFFAOYSA-N
-rxn:3:44848:23158:67830,CCN1CCC(c2cn(CCC#Cc3cnc(C(=O)NC(C)CC(C)(F)F)c(C)c3)nn2)C1,KLZWYLWNCBZWTH-UHFFFAOYSA-N
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-rxn:3:45154:16806:137832,CCc1c(-c2cn(-c3ccc(CC(=O)NCC4C(F)(F)C45CCOCC5)cc3)nn2)cnn1CCN(C)C,AXSONFZELVVIBK-UHFFFAOYSA-N
-rxn:3:45154:28143:86559,CN(C)[C@H]1CC[C@@H](c2cn(-c3ccc(CC(=O)NC4C(F)(F)C45CC5)cc3)nn2)CC1,KCTYQWQUCZPZDM-QRTHJKPMSA-N
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-rxn:3:45168:18622:83031,Cc1nn(CCCN(C)C)cc1-c1cn(-c2cccc(CCC(=O)NC3C(F)(F)C34CCC4)c2)nn1,PSAFNQXQPYHGDK-UHFFFAOYSA-N
-rxn:3:46057:16782:86559,Cc1c(-c2cn(CCC=Cc3cccc(C(=O)NC4C(F)(F)C45CC5)n3)nn2)cnn1CCN(C)C,OITPWQKBRUGIAY-UHFFFAOYSA-N
-rxn:3:46342:1911:83031,C=CCN(C)Cc1cn(CCC=Cc2cc(C(=O)NC3C(F)(F)C34CCC4)c(F)cn2)nn1,UEJBWEGPBVQJOG-UHFFFAOYSA-N
-rxn:3:46342:38152:134260,CS[C@H]1C[C@@H](NC(=O)c2cc(C=CCCn3cc(C4(N(C)C)CC4)nn3)ncc2F)C1,GVRWTOWHYGDLLW-CALCHBBNSA-N
-rxn:3:46343:2850:84875,CN(C)c1ncccc1-c1cn(CCC=Cc2nccc(C(=O)NC3CCC[Si](C)(C)CC3)c2F)nn1,FQTPEWGQJZLVOA-UHFFFAOYSA-N
-rxn:3:46343:6383:113048,CN(C)c1cc(-c2cn(CCC=Cc3nccc(C(=O)NCC4CCOC45CCS(=O)(=O)CC5)c3F)nn2)ncn1,WJCCCSYPONPDIZ-UHFFFAOYSA-N
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-rxn:3:48101:18650:83031,CCc1nn(CCN(C)C)cc1-c1cn(-c2cccc(OCC(=O)NC3C(F)(F)C34CCC4)c2)nn1,DDVUREYDGLFICY-UHFFFAOYSA-N
-rxn:3:48103:18650:83031,CCc1nn(CCN(C)C)cc1-c1cn(-c2ccccc2OCC(=O)NC2C(F)(F)C23CCC3)nn1,BJQZLZGYEBMYKS-UHFFFAOYSA-N
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-rxn:3:49115:6742:113048,COC(Cn1cc(Cn2cc(-c3cnccn3)cn2)nn1)C(=O)NCC1CCOC12CCS(=O)(=O)CC2,DSMIKGVUVNPJJD-UHFFFAOYSA-N
-rxn:3:49127:38287:113048,CCOC(Cn1cc(-c2nccn3cncc23)nn1)C(=O)NCC1CCOC12CCS(=O)(=O)CC2,PGLQXXLWBGKLCP-UHFFFAOYSA-N
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-rxn:3:49499:6403:117699,CN1CCN(c2ncc(-c3cn(C[C@H]4C[C@H](C(=O)NCCCCS(=O)(=O)F)C4)nn3)cn2)CC1,FRGDXQQGWYDGPZ-QAQDUYKDSA-N
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-rxn:3:50432:18701:66719,CCn1cc(-c2cn(CC3C(c4cccnc4C(=O)N[C@@H]4CCC[C@@H]4COC)C3(F)F)nn2)c(C2CC2)n1,DGTFDURFBPYCHQ-LJAXSVQBSA-N
-rxn:3:52381:17552:92547,Cc1cc(-c2cn(CCC3CC3c3cnc(C(=O)Nc4ccc(OS(=O)(=O)F)cc4)nc3)nn2)nn1C1CCCSC1,YOEHSGMFQWZVSH-UHFFFAOYSA-N
-rxn:3:53780:16782:83031,Cc1c(-c2cn(CCOc3cccnc3C(=O)NC3C(F)(F)C34CCC4)nn2)cnn1CCN(C)C,JDMOTBOMNVUXKW-UHFFFAOYSA-N
-rxn:3:53780:18745:68168,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCOc2cccnc2C(=O)NC2CCCCC2)nn1,BANROKSXRQLYOH-UHFFFAOYSA-N
-rxn:3:53780:20057:68168,CCc1cc(-c2cn(CCOc3cccnc3C(=O)NC3CCCCC3)nn2)n(CC2CC2(F)F)n1,VSDFFTFEYGRZNB-UHFFFAOYSA-N
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-rxn:3:54202:18701:68579,CCn1cc(-c2cn(CCC3C(c4cnccc4C(=O)N[C@@H]4CC[C@H]4OC)C3(F)F)nn2)c(C2CC2)n1,OZGZGWQDNFDWPC-QXLPQFPDSA-N
-rxn:3:5463:60078:92433,C[Si](C)(C)CCONC(=O)c1cc2n(CCn3cc(C4CC5(C4)CC(F)(F)C5)nn3)ccn2n1,XOFRWCIUDVBPHK-UHFFFAOYSA-N
-rxn:3:55465:6404:84946,CN1CCCN(c2ncc(-c3cn(CC4CC4c4ncc(C(=O)NCc5ccc(OS(=O)(=O)F)cc5)s4)nn3)cn2)CC1,BCBONGUYVUDMDP-UHFFFAOYSA-N
-rxn:3:5564:49127:71118,CCOC(Cn1cc(-c2ncnc3c2cnn3C)nn1)C(=O)NCC1(S(C)(=O)=O)CCOCC1,QNBYZQISWPVBOG-UHFFFAOYSA-N
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-rxn:3:55763:6404:100874,COC1(CNC(=O)c2ncc(C3CC3Cn3cc(-c4cnc(N5CCCN(C)CC5)nc4)nn3)cn2)CS(=O)(=O)C1,ZVNWSIUAVNUNIQ-UHFFFAOYSA-N
-rxn:3:55763:6404:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)c1ncc(C2CC2Cn2cc(-c3cnc(N4CCCN(C)CC4)nc3)nn2)cn1,GSLOLOPNSHUJOQ-UHFFFAOYSA-N
-rxn:3:56298:18701:68563,CCn1cc(-c2cn(CC3CC3c3cc(C(=O)NC4CCCCC(F)C4)c(F)cn3)nn2)c(C2CC2)n1,ZJEHSPNIUWVPDC-UHFFFAOYSA-N
-rxn:3:56299:3295:113048,CCn1cnc(-c2cn(CC3CC3c3nccc(C(=O)NCC4CCOC45CCS(=O)(=O)CC5)c3F)nn2)c1,USZTXYGQQOEPCF-UHFFFAOYSA-N
-rxn:3:56299:6404:120574,CN1CCCN(c2ncc(-c3cn(CC4CC4c4nccc(C(=O)NC56CCCC5CS(=O)(=O)C6)c4F)nn3)cn2)CC1,XLZICISZALEFMQ-UHFFFAOYSA-N
-rxn:3:56722:15487:135631,CS(=O)(=O)[C@H]1CC[C@H](NC(=O)c2cc3c(C4CC4Cn4cc(-c5cn(C6CCCC6)nc5C5CCCC5)nn4)cccc3s2)C1,ZKCIVLXOCPTKLG-DJWPXMDBSA-N
-rxn:3:56722:17876:105636,CS(=O)(=O)[C@H]1CC[C@H](NC(=O)c2cc3c(C4CC4Cn4cc(-c5nccn5C5CCCC5)nn4)cccc3s2)CC1,RUIMTGQVHSARPG-AGLMVDKFSA-N
-rxn:3:57295:16782:96700,Cc1c(-c2cn(CCCc3sccc3C(=O)NC3CC4(C3)CC(F)(F)C4)nn2)cnn1CCN(C)C,DMUIXTBQOAWMQZ-UHFFFAOYSA-N
-rxn:3:57295:18745:68168,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCCc2sccc2C(=O)NC2CCCCC2)nn1,LJNNOQMBZYDTLN-UHFFFAOYSA-N
-rxn:3:57295:20057:68168,CCc1cc(-c2cn(CCCc3sccc3C(=O)NC3CCCCC3)nn2)n(CC2CC2(F)F)n1,BECSTROSDCVAQU-UHFFFAOYSA-N
-rxn:3:57778:18745:68168,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCCc2cnc(C(=O)NC3CCCCC3)nc2)nn1,MXCZGJMLJHMYQQ-UHFFFAOYSA-N
-rxn:3:57881:18745:68168,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCCc2cncc(C(=O)NC3CCCCC3)c2)nn1,PQUDYZGYIDVUDT-UHFFFAOYSA-N
-rxn:3:57883:18745:68168,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCCc2ccc(C(=O)NC3CCCCC3)nc2)nn1,HBLMGACGQCVJQV-UHFFFAOYSA-N
-rxn:3:57884:18745:68168,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCCc2cccnc2C(=O)NC2CCCCC2)nn1,CFSHOYGYKRJDIQ-UHFFFAOYSA-N
-rxn:3:57885:12155:86559,CN(C)C1CC(c2cn(CCCc3cc(C(=O)NC4C(F)(F)C45CC5)ccn3)nn2)C1,MNSXGIKSUGVIGC-UHFFFAOYSA-N
-rxn:3:57885:16782:83031,Cc1c(-c2cn(CCCc3cc(C(=O)NC4C(F)(F)C45CCC5)ccn3)nn2)cnn1CCN(C)C,BSWWSHRASZRUNX-UHFFFAOYSA-N
-rxn:3:57885:18745:68168,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCCc2cc(C(=O)NC3CCCCC3)ccn2)nn1,MOWZIIZHBCBGTH-UHFFFAOYSA-N
-rxn:3:57885:1911:130458,C=CCN(C)Cc1cn(CCCc2cc(C(=O)NC3CC(F)(F)C34CCC4)ccn2)nn1,BNSZDHSWMCGWSI-UHFFFAOYSA-N
-rxn:3:57886:18745:68168,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCCc2cccc(C(=O)NC3CCCCC3)n2)nn1,HQNQHDJCGHYGEO-UHFFFAOYSA-N
-rxn:3:57886:20057:68168,CCc1cc(-c2cn(CCCc3cccc(C(=O)NC4CCCCC4)n3)nn2)n(CC2CC2(F)F)n1,MZWNIPSJDCEFGT-UHFFFAOYSA-N
-rxn:3:57887:12155:86559,CN(C)C1CC(c2cn(CCCc3ccc(C(=O)NC4C(F)(F)C45CC5)cn3)nn2)C1,MOUFOTGZFQSUAG-UHFFFAOYSA-N
-rxn:3:57887:16782:83031,Cc1c(-c2cn(CCCc3ccc(C(=O)NC4C(F)(F)C45CCC5)cn3)nn2)cnn1CCN(C)C,NAOIQPKMBAUFRZ-UHFFFAOYSA-N
-rxn:3:57887:18745:68168,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCCc2ccc(C(=O)NC3CCCCC3)cn2)nn1,YKFHCOQMRJSPSS-UHFFFAOYSA-N
-rxn:3:57888:18745:68168,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCCc2ncccc2C(=O)NC2CCCCC2)nn1,MVRHFEBJBDRQIG-UHFFFAOYSA-N
-rxn:3:57889:18745:68168,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCCc2ccnc(C(=O)NC3CCCCC3)c2)nn1,KHQGUTUNGNPHCA-UHFFFAOYSA-N
-rxn:3:57889:1911:83031,C=CCN(C)Cc1cn(CCCc2ccnc(C(=O)NC3C(F)(F)C34CCC4)c2)nn1,NRKZNXAEMNFKTP-UHFFFAOYSA-N
-rxn:3:57889:20057:68168,CCc1cc(-c2cn(CCCc3ccnc(C(=O)NC4CCCCC4)c3)nn2)n(CC2CC2(F)F)n1,AWKVDTKJHYVPSC-UHFFFAOYSA-N
-rxn:3:57890:18745:68168,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCCc2cnccc2C(=O)NC2CCCCC2)nn1,UCCYGEICXVSDFH-UHFFFAOYSA-N
-rxn:3:58230:1911:83031,C=CCN(C)Cc1cn(CCCc2nccc(C(=O)NC3C(F)(F)C34CCC4)c2F)nn1,YJIDOVQTXWIAFZ-UHFFFAOYSA-N
-rxn:3:58230:23732:71118,CS(=O)(=O)C1(CNC(=O)c2ccnc(CCCn3cc([C@H]4C[C@@H](n5ccnn5)C4)nn3)c2F)CCOCC1,PBDDXQUOAQCBMR-HDICACEKSA-N
-rxn:3:58230:5474:113048,CN(C)c1ncc(-c2cn(CCCc3nccc(C(=O)NCC4CCOC45CCS(=O)(=O)CC5)c3F)nn2)cn1,QSZGNXQDEKGAGX-UHFFFAOYSA-N
-rxn:3:58230:6403:120574,CN1CCN(c2ncc(-c3cn(CCCc4nccc(C(=O)NC56CCCC5CS(=O)(=O)C6)c4F)nn3)cn2)CC1,MHUIPNSVFXQWCK-UHFFFAOYSA-N
-rxn:3:58230:6404:120574,CN1CCCN(c2ncc(-c3cn(CCCc4nccc(C(=O)NC56CCCC5CS(=O)(=O)C6)c4F)nn3)cn2)CC1,MFGCMPLZTNRWKT-UHFFFAOYSA-N
-rxn:3:58230:709:94847,CC=Cc1cn(CCCc2nccc(C(=O)N[C@H]3CC[C@H](OCC(C)C)CC3)c2F)nn1,PHQQZSWEFHKAPN-KESTWPANSA-N
-rxn:3:5864:60582:119713,C=CC[C@H](C(=O)NC1CCC2(CC1)OCC2(F)F)n1cc(-c2ccc3nccc(N(C)C)c3c2)nn1,KVBKBVYBYHOOIL-ZOQSAPLSSA-N
-rxn:3:59446:6403:117699,CN1CCN(c2ncc(-c3cn([C@H]4C[C@@H](C(=O)NCCCCS(=O)(=O)F)C4)nn3)cn2)CC1,SRBBASHQMSZHAN-WOVMCDHWSA-N
-rxn:3:59852:15487:95839,CS(=O)(=O)c1ccsc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cn(C5CCCC5)nc4C4CCCC4)nn3)C2)CCO1,SSYSRMAKYWOJPA-QEHQQCFTSA-N
-rxn:3:59957:16861:81931,C[C@@H](CC(=O)NCc1ccc(S(=O)(=O)F)s1)n1cc(-c2cnn(C3CCCCC3)c2C2CCC2)nn1,GHJQZQQJMAPKBE-INIZCTEOSA-N
-rxn:3:59957:2850:119713,C[C@@H](CC(=O)NC1CCC2(CC1)OCC2(F)F)n1cc(-c2cccnc2N(C)C)nn1,FRVHQZJOMJGOIN-BQTBQCLESA-N
-rxn:3:59957:6257:65938,C[C@@H](CC(=O)NCC1COCCS(=O)(=O)C1)n1cc(-c2cc(N(C)C3CCN(C)CC3)ncn2)nn1,DFCBSWNVUKVRFZ-ZENAZSQFSA-N
-rxn:3:59957:6644:108806,C[C@@H](CC(=O)NCC1CCC2(CCS(=O)(=O)CC2)O1)n1cc(Cn2ccn3nccc23)nn1,SDLGVUYJSBWOBH-ATNAJCNCSA-N
-rxn:3:59958:23799:84946,O=C(NCc1ccc(OS(=O)(=O)F)cc1)[C@@H]1CCC[C@@H](n2cc(C3(n4cccn4)CCCC3)nn2)C1,ZHWFGDYZNUGDOO-WOJBJXKFSA-N
-rxn:3:59958:28705:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@@H]1CCC[C@@H](n2cc(-c3cccnc3N3CCC3)nn2)C1,HLEJIFRVIBOJFI-IEBWSBKVSA-N
-rxn:3:59990:6629:113048,C[C@H](CC(=O)NCC1CCOC12CCS(=O)(=O)CC2)n1cc(Cn2ccn3nc(-c4cnccn4)cc23)nn1,HUDZGRIEAAGOPB-MRTLOADZSA-N
-rxn:3:60078:16806:83031,CCc1c(-c2cn(CCn3ccn4nc(C(=O)NC5C(F)(F)C56CCC6)cc34)nn2)cnn1CCN(C)C,QHMMFBAYWBLCTH-UHFFFAOYSA-N
-rxn:3:60078:16977:98129,CCn1ncc(-c2cn(CCn3ccn4nc(C(=O)NC5CCC(CS(=O)(=O)F)C5)cc34)nn2)c1C1CCCCC1,TULSDTNBIJERPP-UHFFFAOYSA-N
-rxn:3:60078:18745:66069,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCn2ccn3nc(C(=O)NC4CCCC45CC5)cc23)nn1,XTYGENZTYKFZFD-UHFFFAOYSA-N
-rxn:3:60078:18745:66389,CCc1nn(CC2CC2(F)F)cc1-c1cn(CCn2ccn3nc(C(=O)NC4CCCCC(OC)C4)cc23)nn1,ZUVJXBIDTUBMDN-UHFFFAOYSA-N
-rxn:3:60078:1911:109100,C=CCN(C)Cc1cn(CCn2ccn3nc(C(=O)NCC4C(F)(F)C45CCCC5)cc23)nn1,NHHKKFQLONHUCR-UHFFFAOYSA-N
-rxn:3:60078:1911:94773,C=CCN(C)Cc1cn(CCn2ccn3nc(C(=O)N[C@H]4C[C@@]5(CCC5(F)F)C4)cc23)nn1,DXDOAVRXKHBMSM-OQIWPSSASA-N
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-rxn:2:103217:101342,CC1CCC(F)(F)CCC1NC1CN(CCN(C)C)C(C)(C)C1,IUSPQAJHAVGMMS-UHFFFAOYSA-N
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-rxn:2:104503:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1cccnc1S(=O)(=O)CC1CCOC1,ZWJZHOZQGUJANS-UHFFFAOYSA-N
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-rxn:2:105091:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1ccnc(CO[Si](C)(C)C(C)(C)C)c1,YRGMOMNYFCDJFD-UHFFFAOYSA-N
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-rxn:2:105240:73502,CC(NCC1CN(C)CC12CCOC2)c1ccc(COS(C)(=O)=O)cc1,RQESBGNBRTXTGF-UHFFFAOYSA-N
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-rxn:2:108479:120702,CC(C)C1C(F)(F)C12CCC(NCc1nccc(N3CCC(N(C)C)CC3)n1)CC2,UNOUFVKZXYSPNM-UHFFFAOYSA-N
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-rxn:2:109760:66060,CCCCN1CCN(c2cc(NC3CCC(c4cccc(C)c4)(N(C)C)CC3)ccn2)CC1,FSGWKOGBANYDEL-UHFFFAOYSA-N
-rxn:2:110003:83653,CC1C(F)(F)C12CCC(Nc1ccc(N3CCC(N(C)C)CC3)nc1)CC2,QOXBSVGCPWXFGF-UHFFFAOYSA-N
-rxn:2:110489:120702,CC(C)C1C(F)(F)C12CCC(Nc1cncnc1OC1CCCC(N(C)C)C1)CC2,ODOFPUIYAFPBSX-UHFFFAOYSA-N
-rxn:2:110698:133356,CC(CCCN(C)C(C)C)NCC1(F)CCCC(C)(C)C1,HSOMGSXQVHGCDH-UHFFFAOYSA-N
-rxn:2:110935:71542,CC(NCC(C)C(C1CCN(C)C1)N(C)C)c1ccc(OCC2CC2)cn1,TVTGFBHCNBWNAP-UHFFFAOYSA-N
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-rxn:2:111134:127609,Cc1c(C2(C)CC2)nn(CCN(C)C)c1NC1C(F)(F)CCCCC12CCC2,NXKSRYBTULFSMJ-UHFFFAOYSA-N
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-rxn:2:111378:144085,CCN1CCc2c(cc(C(C)NCC(F)(F)CN(C)C(C)C)c(=O)n2C2CC2)C1,GTONWDWPJDCYGG-UHFFFAOYSA-N
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-rxn:2:111538:151262,CN1CCN2c3ncccc3C(N[C@H]3CC[C@H](OS(C)(=O)=O)CC3)c3ccccc3C2C1,UVIWXYNGKJUIDQ-MMRGEYGVSA-N
-rxn:2:111538:167778,COc1ncccc1-c1cc2c(cc1C(C)N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)OCCO2,UKNDUTOXFTXOLV-ATBAIXNZSA-N
-rxn:2:111610:108867,COc1ccc(C(NC2(COS(=O)(=O)[O-])CCCC2)C(C)N(C)C)cc1,XXXACONJBRSMFV-UHFFFAOYSA-M
-rxn:2:111610:159916,COc1ccc(C(NC2(COS(=O)(=O)[O-])CCCC2)C23CN4CN(CN(C4)C2)C3)cc1,IZTQWCDDKXCQME-UHFFFAOYSA-M
-rxn:2:112685:95892,COc1cccc(C(CCN2CCOCC2)NC(c2ccc(S(C)(=O)=O)cc2)C2CC2)c1,UMMXUABBTWNTOM-UHFFFAOYSA-N
-rxn:2:113378:149754,CC(=O)n1ncc2c(-c3cccnc3C(C)NOCC3CCN(C4CCS(=O)(=O)C4)CC3)cccc21,LHVPMMKQEWLXSH-UHFFFAOYSA-N
-rxn:2:113378:151262,CN1CCN2c3ncccc3C(NOCC3CCN(C4CCS(=O)(=O)C4)CC3)c3ccccc3C2C1,VRKAKJAGEBOKBQ-UHFFFAOYSA-N
-rxn:2:113378:154180,CS(=O)(=O)n1cc(-c2ccc3c(c2)OCC3NOCC2CCN(C3CCS(=O)(=O)C3)CC2)cn1,ZWHFXRXCZYRGCS-UHFFFAOYSA-N
-rxn:2:113378:167123,Cc1nc2ccc(-c3ccc4c(c3)OCC4NOCC3CCN(C4CCS(=O)(=O)C4)CC3)cc2o1,GCILPLJXICIUIZ-UHFFFAOYSA-N
-rxn:2:113378:168323,CN(C)c1ccc(C(NOCC2CCN(C3CCS(=O)(=O)C3)CC2)c2ccccc2)cn1,RZHWILYOLMHIAL-UHFFFAOYSA-N
-rxn:2:113527:143973,CN(C)C1CCN(c2nccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)CC1,BUULVNJBMBUBLU-UHFFFAOYSA-N
-rxn:2:113527:94656,CC(C)C1(F)CCC(NCc2ccnc(N3CCC(N(C)C)CC3)n2)CC1,KAIROZUCTKWJOM-UHFFFAOYSA-N
-rxn:2:113649:144085,CCN1CCc2c(cc(C(C)NCCCN(C)OC)c(=O)n2C2CC2)C1,HJJGUTZXGWRGOH-UHFFFAOYSA-N
-rxn:2:114150:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc(N(C)C3CCN(C)CC3)cn1)CC2,DIGWZWJEGFWOSU-UHFFFAOYSA-N
-rxn:2:114374:150884,COc1ccc(C(NC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)c2c[nH]c(C(=O)/N=C/N(C)C)c2)cc1,RMKOZRBFPXUTJN-QSYJZMDFSA-N
-rxn:2:114374:168553,Cc1nc2nc(N3CCCCC3)[nH]c(=O)c2cc1C(C)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1,WMKRWCFCKQNYPQ-MSYFUGIWSA-N
-rxn:2:114627:131513,CC(CN1CCN(C)CC1)C(Nc1ccccc1N1CCCC(C(C)(F)F)C1)c1ccccc1,VWINJHAKJPZDHL-UHFFFAOYSA-N
-rxn:2:114627:94533,CCN1CCN(CC(Nc2ccccc2N2CCCC(C(C)(F)F)C2)c2ccn(C)c2)CC1,QOASVXRIPWTOAY-UHFFFAOYSA-N
-rxn:2:114996:80610,CC(CCCCN1CCCN(C)CC1)Nc1cccc(N2CCCCC2)n1,PNRHKAPYQIAWPH-UHFFFAOYSA-N
-rxn:2:115234:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1(N(C)C)CCSCC1,BLZNCVWQSSROBQ-UHFFFAOYSA-N
-rxn:2:115327:126600,Cc1ccc(C(C)NCC2CC3CCC(C2)N3C2CC2)c(OS(=O)(=O)F)c1,SAWHCPLEGPTANF-UHFFFAOYSA-N
-rxn:2:115426:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)N[C@H]1CC[C@H](N(C)C)CC1,GDCMYZOQHKAKSU-ZCQHSFHSSA-N
-rxn:2:115807:161879,Cc1ccccc1C(Nc1cccnc1N1CCC(C(C)(F)F)CC1)c1c[nH]c(C(=O)N=CN(C)C)c1,PXVBRPQZPUHECN-UHFFFAOYSA-N
-rxn:2:115952:78925,CCOc1ccccc1C(CN1CCOCC1)Nc1ccc(N2CCC(C)(COC)CC2)nc1,JMOZWZXUQTXJFL-UHFFFAOYSA-N
-rxn:2:115991:140202,CC(NC1CCOC2(C1)CC1CCC(C2)N1C)c1ccc(OS(C)(=O)=O)cc1,PQCVFTDYPRKXCQ-UHFFFAOYSA-N
-rxn:2:117066:122361,CC(NC1CCN(C2CCN(C)CC2)C1)c1ccc(OS(=O)(=O)[O-])cc1,YQHQNKJPBIUMNQ-UHFFFAOYSA-M
-rxn:2:117259:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)Cc2ncccn2)CCCC(C)C1,ORUOFLOTQMPRBU-UHFFFAOYSA-N
-rxn:2:117795:91308,CCC(Nc1c(C)c(C(C)C)nn1CCN(C)C)C1CCC(F)(F)CC1,LSZKJHWFMABBGD-UHFFFAOYSA-N
-rxn:2:118766:154180,CN1CCCC(n2cc(CNC3COc4cc(-c5cnn(S(C)(=O)=O)c5)ccc43)c(C3CCC3)n2)C1,CYQGZTACLMFMNR-UHFFFAOYSA-N
-rxn:2:118766:165217,CN1CCCC(n2cc(CNC3COc4cccc(-c5cnn(S(C)(=O)=O)c5)c43)c(C3CCC3)n2)C1,FQAAWNZMCNDGNC-UHFFFAOYSA-N
-rxn:2:119188:143151,CC(NCC1CN(C2CCCCC2)C(C)CCN1C)c1sccc1-c1ccc(S(C)(=O)=O)cc1,YGBFXJDQLVBYHB-UHFFFAOYSA-N
-rxn:2:119260:143973,CN1CCCCC1COc1ncc(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cn1,HFEKBLBEFFCWFM-UHFFFAOYSA-N
-rxn:2:119882:148941,CC(NCC1CCCN(CC2CCN(C)C2)C1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,YDIGBVMBVRRGNG-UHFFFAOYSA-N
-rxn:2:119882:156195,CC(NCC1CCCN(CC2CCN(C)C2)C1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,UIGUHAFGIQBNKK-UHFFFAOYSA-N
-rxn:2:120217:117066,CC(NC1CC2CCC(C1)N2CC1CC1)c1ccc(OS(=O)(=O)[O-])cc1,AVBNEFBLRVZUNG-UHFFFAOYSA-M
-rxn:2:120261:133356,CC(CCN(C)C(C)C)NCC1(F)CCCC(C)(C)C1,MVRFWOPCZZMFJU-UHFFFAOYSA-N
-rxn:2:120592:161224,COCCN1CCN(c2ncccc2NC(c2c[nH]c(C(=O)/N=C/N(C)C)c2)c2ccccc2C)CC1,RLBDVPCBXGZPAA-AJBULDERSA-N
-rxn:2:120702:130446,CC(C)C1C(F)(F)C12CCC(Nc1cccnc1N(C)C1CCN(C)CC1)CC2,FSWPCNLWOMMPCJ-UHFFFAOYSA-N
-rxn:2:120702:131811,CC(C)C1C(F)(F)C12CCC(Nc1cccc(N3CCC(N(C)C)CC3)c1)CC2,GJOLZUVLWCWGRL-UHFFFAOYSA-N
-rxn:2:120784:77620,CCOCC1CCN(c2ccccc2NC(CN2CCCC2)c2ccc(C)c(C)c2)CC1,WHBFFZJVBQKHDS-UHFFFAOYSA-N
-rxn:2:121430:155591,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NC3CCCC3N3CCN(C)CC3)nc2)nc1,RYZZKNBWMJRUDU-UHFFFAOYSA-N
-rxn:2:121529:126600,Cc1ccc(C(C)NC2CC3CCC(C2)N3C2CC2)c(OS(=O)(=O)F)c1,QXOLMPHIJCMQQX-UHFFFAOYSA-N
-rxn:2:121827:166079,CC(Nc1cccnc1N1CCN2CCCC2C1)c1ccccc1OC1CS(=O)(=O)CC1N(C)C,LPBWXBGRNRCOKC-UHFFFAOYSA-N
-rxn:2:122016:143151,CC(NC1CCCCC1N1CCCC1CN(C)C)c1sccc1-c1ccc(S(C)(=O)=O)cc1,FEAWBYQRGRWKRB-UHFFFAOYSA-N
-rxn:2:122016:144063,CC(NC1CCCCC1N1CCCC1CN(C)C)c1ccccc1-c1ccc(S(C)(=O)=O)nc1,CGXVVGAFGZUEEN-UHFFFAOYSA-N
-rxn:2:122016:148941,CC(NC1CCCCC1N1CCCC1CN(C)C)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,QYIJLFQDZUWYJF-UHFFFAOYSA-N
-rxn:2:122016:156195,CC(NC1CCCCC1N1CCCC1CN(C)C)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,BEOAPZCGEKBSCV-UHFFFAOYSA-N
-rxn:2:122016:165256,CC(NC1CCCCC1N1CCCC1CN(C)C)c1csc(-c2ccc(S(C)(=O)=O)cc2)c1,YHORFISXANXKKX-UHFFFAOYSA-N
-rxn:2:122282:122030,CC(C)C(NCC1(N(C)C)CCN(C)C1)c1ccn(CC2CCC2)n1,WLZPUBCENPEUGY-UHFFFAOYSA-N
-rxn:2:122361:117066,CC(NC1CCN(C2CCN(C)CC2)C1)c1ccc(OS(=O)(=O)[O-])cc1,YQHQNKJPBIUMNQ-UHFFFAOYSA-M
-rxn:2:122361:126600,Cc1ccc(C(C)NC2CCN(C3CCN(C)CC3)C2)c(OS(=O)(=O)F)c1,HDVVPCDPOZYYRL-UHFFFAOYSA-N
-rxn:2:122361:140202,CC(NC1CCN(C2CCN(C)CC2)C1)c1ccc(OS(C)(=O)=O)cc1,OASPIAVPRMTUNN-UHFFFAOYSA-N
-rxn:2:122361:148020,Cc1cc(S(C)(=O)=O)ccc1-c1cccnc1C(C)NC1CCN(C2CCN(C)CC2)C1,OXHZPBDCOOJQFI-UHFFFAOYSA-N
-rxn:2:122742:156246,CC[C@@H](NC(CN1C(=N)SC2CCCCC21)c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1,UZSRPWOFFKBEJH-FBZGVISVSA-N
-rxn:2:123103:91160,Cc1c(C2CCC2)nn(CC2CC2(F)F)c1NC1CCC(N(C)CCN(C)C)CC1,XPFXARICHNZSHO-UHFFFAOYSA-N
-rxn:2:123196:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1n[nH]cc1N1CCC(CN(C)C)CC1,VIZBBNMKHRXGJE-UHFFFAOYSA-N
-rxn:2:123196:83653,CC1C(F)(F)C12CCC(Nc1n[nH]cc1N1CCC(CN(C)C)CC1)CC2,VNEOJDQZMRNWLY-UHFFFAOYSA-N
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-rxn:2:124025:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC[C@H]1C[C@@H](CN(C)C)C1,DGDCFAAUFZQWPG-ZXFUBFMLSA-N
-rxn:2:124302:151792,Cc1c(-c2ccc(S(C)(=O)=O)nc2)cccc1C(C)NCC(C1CC1)N(C)C1CCCCC1,SRDYROXQFCXJAJ-UHFFFAOYSA-N
-rxn:2:124302:156195,CC(NCC(C1CC1)N(C)C1CCCCC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,XRCYJZCAOUFHGH-UHFFFAOYSA-N
-rxn:2:124982:144085,CCN1CCc2c(cc(C(C)Nc3cc(C4CCC4)nn3CCOC)c(=O)n2C2CC2)C1,NQDOEZXOSTYAJK-UHFFFAOYSA-N
-rxn:2:125722:112995,CCc1ccc(N2CCC(OC)CC2)c(NC(CCN(C)C)c2cnc(N3CCCC3)nc2C)c1,VKFNXPWRZCBHHS-UHFFFAOYSA-N
-rxn:2:126567:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NC2CCN(C)CC2CN2CCCCCC2)cs1,KEPOUIHUAWTWOD-UHFFFAOYSA-N
-rxn:2:126567:165256,CC(NC1CCN(C)CC1CN1CCCCCC1)c1csc(-c2ccc(S(C)(=O)=O)cc2)c1,VEXPZPKOBBGQJY-UHFFFAOYSA-N
-rxn:2:126833:147883,COCCC1CCN(c2ccccc2NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)CC1,FONMZANNAZNXTF-UHFFFAOYSA-N
-rxn:2:127773:164666,Cc1cc(C(C)NCC2(N(C)C)CCOC2)c2nc(N3CCOCC3)cc(=O)n2c1,FYRDMBILMBKXRP-UHFFFAOYSA-N
-rxn:2:127839:155721,CCS(=O)(=O)c1ccc(-c2cccnc2C(C)NCC(C2CCN(C)CC2)C2CCCN(C)C2)cc1,YVLWWNOXRVVJML-UHFFFAOYSA-N
-rxn:2:127839:167088,CCC(NCC(C1CCN(C)CC1)C1CCCN(C)C1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,KEVJVBFVUSHHIA-UHFFFAOYSA-N
-rxn:2:128171:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)C)CCN(C)CC1,HMWIPDACWMKMFW-UHFFFAOYSA-N
-rxn:2:128840:123461,Cc1nn(CCCN(C)C)c(NC2CCC3(CC2)C(F)(F)C32CCC2)c1C,WIWBOYDRFIDOJD-UHFFFAOYSA-N
-rxn:2:128993:161224,COC1CCN(Cc2cccnc2CNC(c2c[nH]c(C(=O)/N=C/N(C)C)c2)c2ccccc2C)CC1,XKJGQPXQZLJQRL-FMFFXOCNSA-N
-rxn:2:129322:164678,COc1cc(NC2CCC(OS(=O)(=O)c3ccc(C)cc3)CC2)ccc1C1CCN(C)CC1,OXFMRYCSZTVUKL-UHFFFAOYSA-N
-rxn:2:129505:143973,CN(C)C1CCN(Cc2cccnc2NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1,UHSFEPYVUSJIJC-UHFFFAOYSA-N
-rxn:2:129505:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1ncccc1CN1CCC(N(C)C)CC1,ISULDLDPOZQVHU-UHFFFAOYSA-N
-rxn:2:129505:160422,CN(C)C1CCN(Cc2cccnc2NC2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)CC1,UGLJMYLQODJLOC-UHFFFAOYSA-N
-rxn:2:129617:134743,CC(C)Cc1cc(N2CCC(NCC3(N(C)C)CCSC3)CC2)ncn1,PDEMUHLKFJTXCR-UHFFFAOYSA-N
-rxn:2:129617:142719,Cc1ccc(C)c2c(C(C)NCC3(N(C)C)CCSC3)c(N3CCN(C)CC3)[nH]c12,BYBSBKMUHJXAOR-UHFFFAOYSA-N
-rxn:2:129617:143955,Cc1cc(C)c2c(C(C)NCC3(N(C)C)CCSC3)c(N3CCN(C)CC3)[nH]c2c1,QAOJNPBKZMTCBW-UHFFFAOYSA-N
-rxn:2:129999:163379,Cc1ccc2c(c1)C(Nc1ccccc1OS(=O)(=O)F)C(CN1CCN(C)CC1)CCO2,HKSBGABSYQUXAU-UHFFFAOYSA-N
-rxn:2:130023:144085,CCN1CCc2c(cc(C(C)Nc3cccnc3OCC[Si](C)(C)C)c(=O)n2C2CC2)C1,YFXINLCWXGFMFS-UHFFFAOYSA-N
-rxn:2:130446:143973,CN1CCC(N(C)c2ncccc2NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1,BDQHXOLAEZAXIG-UHFFFAOYSA-N
-rxn:2:130446:144085,CCN1CCc2c(cc(C(C)Nc3cccnc3N(C)C3CCN(C)CC3)c(=O)n2C2CC2)C1,LMFRZFHJAKHNLS-UHFFFAOYSA-N
-rxn:2:130446:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1cccnc1N(C)C1CCN(C)CC1,POKSZDVIOJZPDU-UHFFFAOYSA-N
-rxn:2:130467:156195,CC(NCC1(N2CCCCCC2)CCN(C)C1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,FSVPORXJIJNRDD-UHFFFAOYSA-N
-rxn:2:130791:126600,Cc1ccc(C(C)NC2CCC(N3CCCC(CN(C)C)C3)C2)c(OS(=O)(=O)F)c1,NZJIPAAAPOMWLG-UHFFFAOYSA-N
-rxn:2:130791:143151,CC(NC1CCC(N2CCCC(CN(C)C)C2)C1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,KQXRPWCVGMRJLA-UHFFFAOYSA-N
-rxn:2:130791:148941,CC(NC1CCC(N2CCCC(CN(C)C)C2)C1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,REQHXINZEHTUIE-UHFFFAOYSA-N
-rxn:2:130791:164099,CC(NC1CCC(N2CCCC(CN(C)C)C2)C1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,ZSIIMUZYJKYCRT-UHFFFAOYSA-N
-rxn:2:131298:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1(N(C)C)CCCCC1,SEDXWYMPNYMIDT-UHFFFAOYSA-N
-rxn:2:131670:154050,Cc1ccc2c(c1)OC1(CCC(F)(F)CC1)CC2Nc1cnc(N(C)C)nc1N1CCOCC1,QOCNRTTVVAUZFL-UHFFFAOYSA-N
-rxn:2:131754:154947,COc1ccc(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)cc1CN1CCC(F)(F)C1,PCSICKXNNSWPEC-UHFFFAOYSA-N
-rxn:2:132243:156696,COc1ccc(C)c2c(C(C)NCc3ccnc(N4CCC(N(C)C)CC4)c3)c(N3CCCCC3)[nH]c12,GXZYDOSTMCFZJL-UHFFFAOYSA-N
-rxn:2:132243:158082,COc1cc(C)cc2c(C(C)NCc3ccnc(N4CCC(N(C)C)CC4)c3)c(N3CCCCC3)[nH]c12,XOJGIRYJPCYVLQ-UHFFFAOYSA-N
-rxn:2:132413:147883,COC1CN(c2ccc(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)cc2)CC1OC,UPMKQTSBAJQBKI-UHFFFAOYSA-N
-rxn:2:132568:143151,CC(NCC(C1CCCC1)C1CCCCCN1C)c1sccc1-c1ccc(S(C)(=O)=O)cc1,XOOBUAXAWXGXPD-UHFFFAOYSA-N
-rxn:2:132568:165256,CC(NCC(C1CCCC1)C1CCCCCN1C)c1csc(-c2ccc(S(C)(=O)=O)cc2)c1,CGBGZRXQQDBTLO-UHFFFAOYSA-N
-rxn:2:133321:130987,CC(C)CC(C)(F)CNC(C)CCN(C)C1CCSC1,ROWQYKZMMFPMAX-UHFFFAOYSA-N
-rxn:2:134482:144085,CCN1CCc2c(cc(C(C)NCCCCN(C)C)c(=O)n2C2CC2)C1,SUBSLBGGUDGZOE-UHFFFAOYSA-N
-rxn:2:135079:156809,CC(NC1CC2CCC(C1)N2C1CCOCC1)c1ncccc1-c1ccc(S(C)(=O)=O)nc1,JKAVKTZOWLFKEP-UHFFFAOYSA-N
-rxn:2:137142:160431,CCc1ccc([C@@H](NC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)C2CCCCC2)s1,SZWHHLFVBONCTH-ONJSCSTBSA-N
-rxn:2:137142:166041,CCc1ccc([C@@H](NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)C2CCCCC2)s1,MGFFPKOSTUGVQR-ZKPZBSICSA-N
-rxn:2:137512:126600,Cc1ccc(C(C)NC2CCc3nc(N4CCN(C)CC4)ncc3C2)c(OS(=O)(=O)F)c1,XZYKEEFOWBHCSQ-UHFFFAOYSA-N
-rxn:2:137660:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2c(C3CCCN(C)C3)nc3n2CCCC3)cn1,QGWNUSURALIOHI-UHFFFAOYSA-N
-rxn:2:138055:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(Nc1cnc(OCC3CCN(C4CC4)CC3)nc1)CC2,UIEGMXIDTAOLNV-UHFFFAOYSA-N
-rxn:2:138351:148941,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,XCVVZTGMKLLRQK-UHFFFAOYSA-N
-rxn:2:138351:156195,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,CSRXQXRWRQWFSB-UHFFFAOYSA-N
-rxn:2:138351:157448,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,YYQCBCHNQJQQIH-UHFFFAOYSA-N
-rxn:2:138351:164099,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,FFILYMAMYGUHSS-UHFFFAOYSA-N
-rxn:2:138363:143151,CC(NCC1CCN(C2CCCN(C)CC2)CC1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,PKBSTHKMMDPBDY-UHFFFAOYSA-N
-rxn:2:138363:147270,CC(NCC1CCN(C2CCCN(C)CC2)CC1)c1sccc1-c1ccc(S(C)(=O)=O)nc1,UTFSVCSMYDMXOE-UHFFFAOYSA-N
-rxn:2:138363:148020,Cc1cc(S(C)(=O)=O)ccc1-c1cccnc1C(C)NCC1CCN(C2CCCN(C)CC2)CC1,UZZNSPCWIWTTIU-UHFFFAOYSA-N
-rxn:2:138363:151752,CC(NCC1CCN(C2CCCN(C)CC2)CC1)c1cc(-c2ccccc2)ccc1OS(=O)(=O)F,JSGODWLHYSLBKR-UHFFFAOYSA-N
-rxn:2:138407:164678,COc1cc(NC2CCC(OS(=O)(=O)c3ccc(C)cc3)CC2)cc(C2CCCCC2)c1,PNVDFUNFOVLESG-UHFFFAOYSA-N
-rxn:2:138546:101466,CC(CC(c1ccccn1)N1CCOCC1)Nc1ccc(N2CCC(N(C)C)CC2)cn1,BWLPJXYAEIDOHA-UHFFFAOYSA-N
-rxn:2:138546:109813,CC(CC(c1ccncc1)N1CCOCC1)Nc1ccc(N2CCC(N(C)C)CC2)cn1,JJWMKIPOYMCFNM-UHFFFAOYSA-N
-rxn:2:138546:122881,CC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1ccccc1OCC1CCCN(C)C1,SYCPHUPRAPLRNS-UHFFFAOYSA-N
-rxn:2:138546:77943,CC(CCCN1CCN(c2ccccn2)CC1)Nc1ccc(N2CCC(N(C)C)CC2)cn1,MHFZMGACJSJKSB-UHFFFAOYSA-N
-rxn:2:138570:148941,CC(NCCC1CCCCCN1CC1CN(C)C1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,QRTVCIMHYVXCJO-UHFFFAOYSA-N
-rxn:2:139179:168851,CCc1ccc(OC)c(C(C#CN2CCCC2)Nc2ccc(N3CCN(CCOC)CC3)nn2)c1,QFVSLKUASKPMRP-UHFFFAOYSA-N
-rxn:2:139208:148020,Cc1cc(S(C)(=O)=O)ccc1-c1cccnc1C(C)NCC1CCCN(C2CCN(C)CC2)C1,JGZFWGIWXAQCEH-UHFFFAOYSA-N
-rxn:2:139208:164099,CC(NCC1CCCN(C2CCN(C)CC2)C1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,UNWQSIYAVZHJDW-UHFFFAOYSA-N
-rxn:2:139942:144085,CCN1CCc2c(cc(C(C)NCC3(N(C)C)CCCCCCC3)c(=O)n2C2CC2)C1,DBBRDBCGHCFCRO-UHFFFAOYSA-N
-rxn:2:139942:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)C)CCCCCCC1,POEFCGAIPOHTBY-UHFFFAOYSA-N
-rxn:2:140362:140202,CC(N[C@@H]1CCCC[C@H]1N1CCN(C)CC1)c1ccc(OS(C)(=O)=O)cc1,XOZDFZXIETWSOM-ODFWGIBRSA-N
-rxn:2:140418:124533,COCC1C(F)(F)C12CCC(Nc1c(C3CC3)c(C)nn1CCN(C)C)CC2,VJVWMVOACRRUBP-UHFFFAOYSA-N
-rxn:2:141014:143973,CN1CCN(c2nccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)CC1,ZSFYJMWMPCHLRJ-UHFFFAOYSA-N
-rxn:2:141552:83653,CC1C(F)(F)C12CCC(Nc1cncnc1OC1CCC(N(C)C)CC1)CC2,FERRSWXOXMDVBN-UHFFFAOYSA-N
-rxn:2:141962:164290,Cc1[nH]c2ccccc2c1C(CN1CCN(C)CC1)NCC(F)(F)c1cccc(N2CCOCC2)c1,FQTKVZDFHYKHJV-UHFFFAOYSA-N
-rxn:2:143973:150805,Cc1nc2occc2nc1C1CC(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CN(C)C1,WQVGCMXWIMTZJX-UHFFFAOYSA-N
-rxn:2:146542:136378,CN1CCN(c2ccc3cc(NC4CCN(CCOS(C)(=O)=O)CC4)ccc3n2)CC1,LKKDBZSPQRCZPF-UHFFFAOYSA-N
-rxn:2:148797:125415,CC(C)c1cccc(-n2[nH]c(=O)cc2NC2CC3(C)C4CN(C)CC(C4(F)F)C3(C)C2)n1,DYSOEJASTKZBDW-UHFFFAOYSA-N
-rxn:2:150671:83690,CC(C)CC(NC(C)CCC(C1CCOCC1)N(C)C)c1nc2cnccc2c(=O)[nH]1,UWFLHAJBJDPDGI-UHFFFAOYSA-N
-rxn:2:151955:163379,Cc1ccc2c(c1)C(Nc1ccc3ccc(OS(=O)(=O)F)cc3c1)C(CN1CCN(C)CC1)CCO2,HUIIHGRIHAIVTD-UHFFFAOYSA-N
-rxn:2:153416:72574,CC1CCC(NC(C)CN(C)Cc2ccc3[nH]c(=O)[nH]c3c2)C(CN(C)Cc2nccn2C)C1,DRAOBLKIIQLZSO-UHFFFAOYSA-N
-rxn:2:158384:163379,Cc1ccc2c(c1)C(Nc1ccc3cc(OS(=O)(=O)F)ccc3c1)C(CN1CCN(C)CC1)CCO2,OLXFBLFXMGOHRR-UHFFFAOYSA-N
-rxn:2:161893:71125,CCn1ncc(C#CCO[Si](C)(C)C)c1C(C)Nn1ccc2nc(N3CCOCC3)ncc2c1=O,PCQXKJVLSTUGBB-UHFFFAOYSA-N
-rxn:2:163833:144085,CCN1CCc2c(cc(C(C)Nc3c(N(C)C4CCCC4)ccc4scnc34)c(=O)n2C2CC2)C1,ONBXGTURRTYJHN-UHFFFAOYSA-N
-rxn:2:165554:143973,CN1CCC(n2c(=O)oc3cc(NC4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)cnc32)CC1,CTAZHUMKSAANGO-UHFFFAOYSA-N
-rxn:2:66038:151262,CN1CCN2c3ncccc3C(NC3CCC(OS(C)(=O)=O)CC3)c3ccccc3C2C1,UVIWXYNGKJUIDQ-UHFFFAOYSA-N
-rxn:2:66228:143151,CC(NC1CCCC1N1CCCN(C)CC1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,HLEGMCIFJICCEO-UHFFFAOYSA-N
-rxn:2:66228:147270,CC(NC1CCCC1N1CCCN(C)CC1)c1sccc1-c1ccc(S(C)(=O)=O)nc1,MJYRMASLRVCIBI-UHFFFAOYSA-N
-rxn:2:66228:148020,Cc1cc(S(C)(=O)=O)ccc1-c1cccnc1C(C)NC1CCCC1N1CCCN(C)CC1,KEMXIEDQFBQUQI-UHFFFAOYSA-N
-rxn:2:66816:117066,CC(NC1CCN(C2CCN(C)CC2)CC1)c1ccc(OS(=O)(=O)[O-])cc1,GJTPXBHSLXOIBW-UHFFFAOYSA-M
-rxn:2:66816:167088,CCC(NC1CCN(C2CCN(C)CC2)CC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,WWBBVIRJXKSCHG-UHFFFAOYSA-N
-rxn:2:66969:124520,C[C@@H]1C[C@H]2[C@@H](CC1N[C@@H](c1ccc3c(c1)OCO3)C1CCCCC1)C2(C)C,JYMRQAGNQPNLAL-QCVVMTBZSA-N
-rxn:2:66978:143973,CN1CCN(c2ncc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)cn2)CC1,IEPMFUVCGVQNRF-UHFFFAOYSA-N
-rxn:2:67548:137124,CC(C)c1nc(CCN(C)C)sc1C(C)NCC1(F)CCC2(CC1)CC2,DYVJUNJOGLXYFJ-UHFFFAOYSA-N
-rxn:2:67933:143973,Cc1ccc(C(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)N2CCOCC2)o1,JJLMSRBKDIFTDP-UHFFFAOYSA-N
-rxn:2:68302:161396,COc1ccc(N2CCC(OC)CC2)c(NC2COc3ccc(-c4cnc(N5CCOCC5)nc4)cc32)c1,LEOLULSTJWOZNB-UHFFFAOYSA-N
-rxn:2:68439:164099,CC(NCC1CCN(C2CCN(C)CC2)C1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,QOSGJROSQBUGNW-UHFFFAOYSA-N
-rxn:2:68439:165256,CC(NCC1CCN(C2CCN(C)CC2)C1)c1csc(-c2ccc(S(C)(=O)=O)cc2)c1,FFNIKPWZUKTIGG-UHFFFAOYSA-N
-rxn:2:68647:140202,CC(NC1CCCN(C2CCN(C)CC2)C1)c1ccc(OS(C)(=O)=O)cc1,NEGXCHQFDMDABF-UHFFFAOYSA-N
-rxn:2:68836:126600,Cc1ccc(C(C)NCC2(N(C)C3CCCN(C)C3)CCSC2)c(OS(=O)(=O)F)c1,SKLZMTJVUZPPSX-UHFFFAOYSA-N
-rxn:2:68924:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(C)C12CC3CC(C1)CC(N(C)C)(C3)C2,BYKALJLNLMLZEM-UHFFFAOYSA-N
-rxn:2:69020:157499,CO[C@@H]1[C@@H](NC2c3cc(C)ccc3N=C3C2CCN3c2ccccc2)COC12CCOCC2,FLYBWAHHBCPULJ-DBMPWETRSA-N
-rxn:2:69023:164099,CC(NC1CCCCCC1N1CCCN(C)CC1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,XOTAZIVGIUPPAV-UHFFFAOYSA-N
-rxn:2:69057:116778,CC(C)c1cc(C(C)C)c(C(C)NCC2(N(C)C)CCCCC2)c(=O)[nH]1,BBZZSOWQORLYTN-UHFFFAOYSA-N
-rxn:2:69057:131298,CC(C)c1cc(C(C)C)c(C(C)NCCC2(N(C)C)CCCCC2)c(=O)[nH]1,JVTRIFWPMMODGI-UHFFFAOYSA-N
-rxn:2:69057:87910,CC(C)c1cc(C(C)C)c(C(C)NCCC2(N(C)C)CCCCCC2)c(=O)[nH]1,CVRGHIIFMDBSAJ-UHFFFAOYSA-N
-rxn:2:69057:98368,CC(C)c1cc(C(C)C)c(C(C)NCC2(N(C)C)CCCCCC2)c(=O)[nH]1,PYNLDGPCMJLBRK-UHFFFAOYSA-N
-rxn:2:69403:155721,CCS(=O)(=O)c1ccc(-c2cccnc2C(C)NCC2(N(C)C3CCOCC3)CCSC2)cc1,TXJJIZXBCUJOBM-UHFFFAOYSA-N
-rxn:2:69403:156195,CC(NCC1(N(C)C2CCOCC2)CCSC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,QUPZRHTWDPAQJR-UHFFFAOYSA-N
-rxn:2:70261:103638,CC1CCC(Nc2cc([C@H]3C[C@@H]3F)[nH]n2)C(CN(C)C(C)C2CC2)C1,WLTYTNQBRVOTQE-NODNRGERSA-N
-rxn:2:70472:148941,CC(NC1CCN(C2CCN(C3CC3)C2)CC1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,GXZIBQDFQPKNHV-UHFFFAOYSA-N
-rxn:2:70472:157448,CC(NC1CCN(C2CCN(C3CC3)C2)CC1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,RXZDMWFDTTTYHN-UHFFFAOYSA-N
-rxn:2:70482:148941,CC(NC1CCN(C2CCN3CCCC23)C(C)C1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,AVACNAYGPLFMRD-UHFFFAOYSA-N
-rxn:2:70482:156195,CC(NC1CCN(C2CCN3CCCC23)C(C)C1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,OKEVJZUDYUABBN-UHFFFAOYSA-N
-rxn:2:70629:154180,CN(C)C1CCCc2oc(NC3COc4cc(-c5cnn(S(C)(=O)=O)c5)ccc43)c(C3CCCC3)c21,MUAPQNKVFWXJKH-UHFFFAOYSA-N
-rxn:2:70629:165217,CN(C)C1CCCc2oc(NC3COc4cccc(-c5cnn(S(C)(=O)=O)c5)c43)c(C3CCCC3)c21,RDJCBOLLSLSYGH-UHFFFAOYSA-N
-rxn:2:70683:163379,COCc1cc(OS(=O)(=O)F)ccc1NC1c2cc(C)ccc2OCCC1CN1CCN(C)CC1,ZWVHVSMPPZRFGL-UHFFFAOYSA-N
-rxn:2:71027:165256,CC(NCC1CN(C2CCCCCC2)CCCN1C)c1csc(-c2ccc(S(C)(=O)=O)cc2)c1,KWJWKINEYCYFPG-UHFFFAOYSA-N
-rxn:2:71424:120261,CC(CCN(C)C(C)C)NCC(C)(F)C1CCCCC1,POZJUSBOQHPTQZ-UHFFFAOYSA-N
-rxn:2:71584:144085,CCN1CCc2c(cc(C(C)NC(CN(C)C)c3cnc(C)c(C)n3)c(=O)n2C2CC2)C1,RFMFICUSVPWAQG-UHFFFAOYSA-N
-rxn:2:72216:74024,Cc1nc(N(C)C)cc(N(C)C2CCC(Nc3c4c(nn3CC3CC3(F)F)CCC4C)CC2)n1,TYTXEHVFEZQORG-UHFFFAOYSA-N
-rxn:2:72330:126600,Cc1ccc(C(C)NCCN2CC[C@@H](N(C)C3CC3)C2)c(OS(=O)(=O)F)c1,ZNRVLDLMERZCQP-OMOCHNIRSA-N
-rxn:2:72515:110698,CC(CCCN(C)C(C)C)NCC1(F)CCC(C)(C)CC1,XKVXTJNCSYGOQG-UHFFFAOYSA-N
-rxn:2:72515:120261,CC(CCN(C)C(C)C)NCC1(F)CCC(C)(C)CC1,VVFNCBVISSDNKG-UHFFFAOYSA-N
-rxn:2:72659:91160,CCc1nn(CC2CC2(F)F)c(NC2CCC(N(C)CCN(C)C)CC2)c1C1CC1,SXCMREFHMVKTTF-UHFFFAOYSA-N
-rxn:2:72660:70271,CCOc1ccc(C(CN2CCCCC2)Nc2ncc(S(=O)(=O)C3CC3)cc2OC)cc1,DDQZWGJBMZBYTO-UHFFFAOYSA-N
-rxn:2:73080:78354,COc1ccc(NC2CCN(c3cc(N4CCN(C)CC4)ncn3)C2)cc1OS(=O)(=O)F,SAQCPSSQXUYQKN-UHFFFAOYSA-N
-rxn:2:73499:142719,Cc1ccc(C)c2c(C(C)NCC3(N(C)C)COC3)c(N3CCN(C)CC3)[nH]c12,UHNGHLSMHGOZFN-UHFFFAOYSA-N
-rxn:2:73499:143955,Cc1cc(C)c2c(C(C)NCC3(N(C)C)COC3)c(N3CCN(C)CC3)[nH]c2c1,WDUKZORTHVCIDC-UHFFFAOYSA-N
-rxn:2:73568:143973,CN1CCC(N(C)Cc2ccnc(NC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)c2)CC1,VMUIKZGOAARHLY-UHFFFAOYSA-N
-rxn:2:73646:143973,Cc1ncc(C(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C2CCCN(C)C2)cn1,OIVYUNKCLWCTNY-UHFFFAOYSA-N
-rxn:2:74153:127230,CC(C)C(Nc1cccnc1N1CCC(N(C)C)CC1)c1csc(N2CCOCC2)n1,CJVMJKWNNJLING-UHFFFAOYSA-N
-rxn:2:74153:143955,Cc1cc(C)c2c(C(C)Nc3cccnc3N3CCC(N(C)C)CC3)c(N3CCN(C)CC3)[nH]c2c1,NNEURHHAOAZWGN-UHFFFAOYSA-N
-rxn:2:74153:144085,CCN1CCc2c(cc(C(C)Nc3cccnc3N3CCC(N(C)C)CC3)c(=O)n2C2CC2)C1,OJAQNQOENYERLL-UHFFFAOYSA-N
-rxn:2:74153:164666,Cc1cc(C(C)Nc2cccnc2N2CCC(N(C)C)CC2)c2nc(N3CCOCC3)cc(=O)n2c1,NSKYHFIDEKKCKC-UHFFFAOYSA-N
-rxn:2:74979:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccnc(CN(C)C3CCN(C)C3)n1)CC2,XMZTUWRSURIJMQ-UHFFFAOYSA-N
-rxn:2:74979:143973,CN1CCC(N(C)Cc2nccc(NC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)C1,SASUZHKPADNTPW-UHFFFAOYSA-N
-rxn:2:75003:74005,CC(C)Cc1cc(C(C)NC(CN(C)C2CCN(C)CC2)C(C)C)n(C)n1,YLGNTUXBIAGCCH-UHFFFAOYSA-N
-rxn:2:75073:91308,CCC(Nc1c2c(nn1CCCN(C)C)CCC2C)C1CCC(F)(F)CC1,MGWJWPSOLGGJFV-UHFFFAOYSA-N
-rxn:2:75529:143973,Cc1ccnc(N2CCOC(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)C2)n1,OYUXQACOABIMRJ-UHFFFAOYSA-N
-rxn:2:75831:143973,O=S1(=O)CCN(c2ccnc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)CC1,WEXGDEYJJKLKTI-UHFFFAOYSA-N
-rxn:2:76189:75003,CC(NC(CN(C)C1CCN(C)CC1)C(C)C)c1ccn(C(C)C2CC2)n1,INIXQYJZDRSHKW-UHFFFAOYSA-N
-rxn:2:76457:143973,COc1cc([C@@H](NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C2CCC2)cc2c1OCO2,JIHKFWJTEMMEPM-QHCPKHFHSA-N
-rxn:2:76569:119754,CCC1C(F)(F)C12CCC(Nc1ccc(N3CC(N(C)C)C3)nc1)CC2,WRLJFHZZZRWOGH-UHFFFAOYSA-N
-rxn:2:76846:161879,Cc1cc(N2CCN(C)CC2)ncc1C(C)NC(c1c[nH]c(C(=O)N=CN(C)C)c1)c1ccccc1C,WIYWJFIVEIFKDR-UHFFFAOYSA-N
-rxn:2:77061:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NCCN2CCC(N3CCN(C)CC3)CC2)cs1,FDINZOUGVTWUPW-UHFFFAOYSA-N
-rxn:2:77424:164678,COc1cc(NC2CCC(OS(=O)(=O)c3ccc(C)cc3)CC2)ccc1C1CCCCC1,VLKRCGYCNHWBGU-UHFFFAOYSA-N
-rxn:2:78524:87172,CN1CCC(N(C)CC(NCC2C(F)(F)C23CCC3)c2cccn2C)CC1,OQKVWXQSPUXIKM-UHFFFAOYSA-N
-rxn:2:78776:143973,CN(C)c1ccc(C(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)N2CCCC2)o1,KHBKWBOMHNQFFS-UHFFFAOYSA-N
-rxn:2:78949:91160,CC(C1CC1(F)F)n1ncc(C2CC2)c1NC1CCC(N(C)CCN(C)C)CC1,RDBNWVZGPBFTOH-UHFFFAOYSA-N
-rxn:2:79103:164678,CCc1cc(=O)[nH]c(N2CCCC(NC3CCC(OS(=O)(=O)c4ccc(C)cc4)CC3)C2)n1,VPYDASRDJOEUTC-UHFFFAOYSA-N
-rxn:2:79193:95739,Cc1cccc(N2CCN(CC(C)(C)NC(C)c3cccc(OCCN(C)C)c3)CC2)n1,PZUSHVYWMFVYFC-UHFFFAOYSA-N
-rxn:2:79331:141943,CCC(NCC1(CCN(C)C)CC(F)(F)C1)C1CSC1,BJQPLJHEYMGLND-UHFFFAOYSA-N
-rxn:2:79331:168553,Cc1nc2nc(N3CCCCC3)[nH]c(=O)c2cc1C(C)NCC1(CCN(C)C)CC(F)(F)C1,BYNIAFQAKPAVHY-UHFFFAOYSA-N
-rxn:2:79534:154155,Cc1c(C2CCC2)nn(C2CCCCN2C)c1NC1COc2ccc(-c3cnn(S(C)(=O)=O)c3)cc21,VVEIUFMJVUGNIG-UHFFFAOYSA-N
-rxn:2:79534:165217,Cc1c(C2CCC2)nn(C2CCCCN2C)c1NC1COc2cccc(-c3cnn(S(C)(=O)=O)c3)c21,AOYUPBVYZBGIHY-UHFFFAOYSA-N
-rxn:2:79674:148941,CC(NCCC1CCN(C2CCN(C)CC2)CC1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,USRZDSHYXDDXFN-UHFFFAOYSA-N
-rxn:2:79674:156195,CC(NCCC1CCN(C2CCN(C)CC2)CC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,GZQYZVYIJJXUAK-UHFFFAOYSA-N
-rxn:2:79778:115316,CC(C)C(Nc1cc(=O)[nH]n1CCCN(C)C)c1ccc(N(C)C2CCCCC2)cc1,GOBGZTDMXJWQMD-UHFFFAOYSA-N
-rxn:2:79778:115389,CCC(C(Nc1cc(=O)[nH]n1CCCN(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,UFDHWQULXMFPIE-UHFFFAOYSA-N
-rxn:2:79778:87087,CCC(Nc1cc(=O)[nH]n1CCCN(C)C)c1cnc(N2CCN(C(C)C)CC2)cc1C,GVEASQQURQGTBJ-UHFFFAOYSA-N
-rxn:2:79800:157625,CS(C)(=O)=NS(=O)(=O)CCNC1COc2ccc(-c3ccc(N4CCOCC4)cc3)cc21,VULPVVNADWEOAV-UHFFFAOYSA-N
-rxn:2:79800:168553,Cc1nc2nc(N3CCCCC3)[nH]c(=O)c2cc1C(C)NCCS(=O)(=O)N=S(C)(C)=O,FBAQTWAVOWHMPU-UHFFFAOYSA-N
-rxn:2:80476:153696,CCCC(NC1CN(CCCN(C)C)C(C)(C)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,BMPHCMZSJWVOTM-UHFFFAOYSA-N
-rxn:2:80476:163337,CCOc1ccccc1-c1cc(C(C)NC2CN(CCCN(C)C)C(C)(C)C2)c(=O)[nH]n1,YMTGKJMPRXFKLL-UHFFFAOYSA-N
-rxn:2:80643:144085,CCN1CCc2c(cc(C(C)Nc3ccc(N4CCC(N(C)C)C4)cn3)c(=O)n2C2CC2)C1,VXDNEGXTLTUARS-UHFFFAOYSA-N
-rxn:2:80643:66007,CC(CCOCC1CCOC1)Nc1ccc(N2CCC(N(C)C)C2)cn1,VYJHZZLSRWAVCO-UHFFFAOYSA-N
-rxn:2:80871:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NC2CC(C)CC(C)C23CCCCO3)cs1,VPTVVPUGQWFFCL-UHFFFAOYSA-N
-rxn:2:80881:127609,Cc1c(C2(C)CC2)nn(CCN(C)C)c1NC1CCC(C(C)(F)F)CC1,LJOZVPYEVYTXPR-UHFFFAOYSA-N
-rxn:2:81115:110698,CC(CCCN(C)C(C)C)NC[C@H]1CCCC(F)(F)C1,LREWWFXESNQLLJ-LOACHALJSA-N
-rxn:2:81422:159916,COc1ccc(C(NOS(=O)(=O)c2c(C)cc(C)cc2C)C23CN4CN(CN(C4)C2)C3)cc1,RVMAFBDUZJYGKB-UHFFFAOYSA-N
-rxn:2:81538:112224,CC(NC1CCN(CCCN(C)C)C(C)(C)C1)C1(F)CC1,BWAXMJJOZUIHTQ-UHFFFAOYSA-N
-rxn:2:81759:123461,Cc1ncc(CCCN(C)C)cc1NC1CCC2(CC1)C(F)(F)C21CCC1,YQLGQDWUOYGIHE-UHFFFAOYSA-N
-rxn:2:81928:155159,CCOc1ccc(C2(C3(NC(CC4=NCCO4)c4ccc(S(C)(=O)=O)cc4)CC3)COC2)cc1,PHXFACZJBGVELR-UHFFFAOYSA-N
-rxn:2:82920:103638,CC1CCC(Nc2cc([C@@H]3C[C@H]3F)[nH]n2)C(CN(C)C(C)C2CC2)C1,WLTYTNQBRVOTQE-ZIOFJUOOSA-N
-rxn:2:83028:103141,CC(CN1CCC(N(C)C)CC1)NC(C)c1ccc(C#CC2CC2)s1,ZGDIHXOPAIWOPN-UHFFFAOYSA-N
-rxn:2:83028:81090,CC(CN1CCC(N(C)C)CC1)NC(C)c1ccc(N2CCN(C)CC2)s1,NLFKBFSKEBUFKN-UHFFFAOYSA-N
-rxn:2:83028:86949,CC(CN1CCC(N(C)C)CC1)NC(c1ccnn1C(C)C)C1CC1,LWTZJTFCLOFPHM-UHFFFAOYSA-N
-rxn:2:83064:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc(N(C)C3CCN(C)CC3)nc1)CC2,HNUCOXTWIBHISN-UHFFFAOYSA-N
-rxn:2:83192:154594,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NC3CCC(N4CCC(CN(C)C)CC4)C3)nc2)cn1,MKFKRCXGLVXPFK-UHFFFAOYSA-N
-rxn:2:83263:105019,CC(C)c1ccc(C(C)NC2CCN(CCCCN(C)C)C(C)C2)c(=O)[nH]1,LFLRTRSZOBCOMF-UHFFFAOYSA-N
-rxn:2:83417:120702,CC(C)C1C(F)(F)C12CCC(N[C@@H]1CN(Cc3ccncc3)C[C@H]1CN(C)C)CC2,JMUNQBSJTAYPTK-TZGKTNJBSA-N
-rxn:2:83562:147883,COC1CCN(c2ncccc2CNC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)CC1,BQXHEJYTPVWIAZ-UHFFFAOYSA-N
-rxn:2:83653:101342,CC1C(F)(F)C12CCC(NC1CN(CCN(C)C)C(C)(C)C1)CC2,BGAUSZIRDMAVQI-UHFFFAOYSA-N
-rxn:2:84153:163343,COc1cc(CN2CCN(C)CC2)ccc1NC(C)c1ccc(OC)c(-c2cnc(N3CCCC3)nc2)c1,CMQLRHOLRAVQTD-UHFFFAOYSA-N
-rxn:2:84201:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)Cc2cccs2)CCOCC1,INHQWZIBCSWIRQ-UHFFFAOYSA-N
-rxn:2:84410:148941,CC(NC1CC2CCC(C1)N2CC1CCCOC1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,DIKOJGYUKPKPRP-UHFFFAOYSA-N
-rxn:2:84410:156195,CC(NC1CC2CCC(C1)N2CC1CCCOC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,NMKCLLYWPWIBFH-UHFFFAOYSA-N
-rxn:2:84906:146153,COc1ccc(-c2ccc(C(CN3CCCC3)NCC3CCCN(C4CCS(=O)(=O)C4)C3)cc2)cc1,CAQGDXUTFYMNAO-UHFFFAOYSA-N
-rxn:2:84906:148941,CC(NCC1CCCN(C2CCS(=O)(=O)C2)C1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,RGSLALLVHGDTGD-UHFFFAOYSA-N
-rxn:2:84906:149754,CC(=O)n1ncc2c(-c3cccnc3C(C)NCC3CCCN(C4CCS(=O)(=O)C4)C3)cccc21,KCKUSJYBMRNARN-UHFFFAOYSA-N
-rxn:2:84906:156195,CC(NCC1CCCN(C2CCS(=O)(=O)C2)C1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,QUATUVVSYGFYJN-UHFFFAOYSA-N
-rxn:2:84906:157448,CC(NCC1CCCN(C2CCS(=O)(=O)C2)C1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,UHKUYDCUJCUWIM-UHFFFAOYSA-N
-rxn:2:84956:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(c1ccc(N2CCCCC2)o1)N(C)C,KVBMPTUMMJMXHQ-UHFFFAOYSA-N
-rxn:2:84956:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(c1ccc(N2CCCCC2)o1)N(C)C,CFBDJRBUYSGPGK-UHFFFAOYSA-N
-rxn:2:85050:117066,CC(NC1CC2CCC(C1)N2C1CCCC1)c1ccc(OS(=O)(=O)[O-])cc1,PALLDTKMRDSUHJ-UHFFFAOYSA-M
-rxn:2:85050:157448,CC(NC1CC2CCC(C1)N2C1CCCC1)c1ccc(-c2cccc(S(C)(=O)=O)c2)s1,SWDFBEULUUAMCI-UHFFFAOYSA-N
-rxn:2:85335:111236,CN(C)c1ccc(C2C(CNC3CCOC4(CCC(N(C)C)CC4)C3)C2(F)F)cn1,GLSOEYAKXUOUFD-UHFFFAOYSA-N
-rxn:2:85458:74005,CC(C)Cc1cc(C(C)NCCN(C)C2CCC(N(C)C)CC2)n(C)n1,BQHZHGLDUKDARA-UHFFFAOYSA-N
-rxn:2:85458:89697,CC(C)c1cc(C(C)NCCN(C)C2CCC(N(C)C)CC2)n(C)n1,TWNIWLAKXARSBA-UHFFFAOYSA-N
-rxn:2:85491:143973,CN(C)C(NC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc2c(c1)OCCO2,OSDYWJATQDSVPY-UHFFFAOYSA-N
-rxn:2:85571:155589,CCc1cc(OS(=O)(=O)F)ccc1NC1c2c(C)cccc2OC2CCN3CCCC3C21,URDZZOQGEIYSIA-UHFFFAOYSA-N
-rxn:2:85723:154947,CC(C)CCCN1CCC(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)CC1,BRIINSJKQGUYLO-UHFFFAOYSA-N
-rxn:2:86037:143973,CN1CCN(Cc2cccnc2NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1,NUQIBNBNUADANU-UHFFFAOYSA-N
-rxn:2:86305:110753,CCC(NCC1CC1c1cccc(S(C)(=O)=O)c1)C1CCN(c2ccc3c(c2)OCO3)C1,RAMZWJORZWHKQR-UHFFFAOYSA-N
-rxn:2:86393:100348,CCN1CCN(c2ccc(C(C)Nc3cc(N4CCC(N(C)C)CC4)ccc3C)cc2)CC1,UBQVZMIFKDCYEX-UHFFFAOYSA-N
-rxn:2:86393:141208,CCC(Nc1cc(N2CCC(N(C)C)CC2)ccc1C)c1ccc(N2CC(F)(F)C2)cc1,DOVYAWQVSXYZDY-UHFFFAOYSA-N
-rxn:2:87121:151416,CC1CC(C)CC(n2cc(NC3CCC(Cc4ccc(S(C)(=O)=O)cc4)CC3)cn2)C1,QIVYGHRRLAXWBT-UHFFFAOYSA-N
-rxn:2:87172:95904,CN1CCC(N(C)CC(NC2CC3(C2)CC3(F)F)c2cccn2C)CC1,MOJIRBKWSRMDEG-UHFFFAOYSA-N
-rxn:2:87402:167512,CC(Nc1cccnc1N1CCCC(C(C)(F)F)C1)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,XPTPQRKWMQRDPU-UHFFFAOYSA-N
-rxn:2:87711:161879,CCN1CCN(c2ncc(CNC(c3c[nH]c(C(=O)N=CN(C)C)c3)c3ccccc3C)cc2C)CC1,CTYCVRLTQJJUFC-UHFFFAOYSA-N
-rxn:2:87910:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1(N(C)C)CCCCCC1,CHXNMMJCEAFKFU-UHFFFAOYSA-N
-rxn:2:88336:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(Nc1ccc3c(n1)N(C1CCN(C)CC1)CCO3)CC2,WYZSJGMLRRJSPC-UHFFFAOYSA-N
-rxn:2:88353:144085,CCN1CCc2c(cc(C(C)Nc3cnccc3N3CCC(N(C)C)C3)c(=O)n2C2CC2)C1,WRBUKOJYDYVYOW-UHFFFAOYSA-N
-rxn:2:88353:66007,CC(CCOCC1CCOC1)Nc1cnccc1N1CCC(N(C)C)C1,MSFANVYEBVFUGJ-UHFFFAOYSA-N
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-rxn:2:113378:156687,CC(=O)n1ncc2c(-c3ncc(C(C)NOCC4CCN(C5CCS(=O)(=O)C5)CC4)s3)cccc21,VKCGQGWRBFRGEP-UHFFFAOYSA-N
-rxn:2:113378:156809,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ncccc1-c1ccc(S(C)(=O)=O)nc1,CTNRHZMRXMVILG-UHFFFAOYSA-N
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-rxn:2:113378:161248,Cc1ccc(C(Cn2cccnc2=O)NOCC2CCN(C3CCS(=O)(=O)C3)CC2)s1,COJPHYDITJBYFR-UHFFFAOYSA-N
-rxn:2:113378:164727,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccc(=O)n(C)n2)cn1,LMQZPOBPQKDETN-UHFFFAOYSA-N
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-rxn:2:115615:138716,CC(=O)Oc1cc(OC(C)NC(C)(C)CN2CCN(c3ncccn3)CC2)cc(C(C)=O)c1,CIZDBSOSFRWAKC-UHFFFAOYSA-N
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-rxn:2:116846:152761,CC(=O)c1cccc(C2C(CCSC(C)NC3(CN(C)C)CC3)C2(F)F)n1,UVOJVNIVTKATOX-UHFFFAOYSA-N
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-rxn:2:117881:148454,Cc1ccc(C(CN2CCOCC2)Nc2cnn(CC3(CS(C)(=O)=O)CCC3)c2)c2ccccc12,YEUWESWRPIHCTF-UHFFFAOYSA-N
-rxn:2:118023:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCc1nn(CC2CC2(F)F)c2c1C(C)CC2,JUQYFAKOWKKIBN-UHFFFAOYSA-N
-rxn:2:118776:162854,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1ccc(-c2ccc(N3CCN(C)CC3)nc2)cn1,AUHDDFWTGNOTBI-UHFFFAOYSA-N
-rxn:2:119643:126600,Cc1ccc(C(C)NCCN(C2CCSCC2)C2CC2)c(OS(=O)(=O)F)c1,SMVGUBUUHPANRL-UHFFFAOYSA-N
-rxn:2:120408:155396,CC(=O)c1ccc(C2C(CSC(C)NCC3(C)CN(C)C3)C2(F)F)nc1,AXPGIDSSKZHGAW-UHFFFAOYSA-N
-rxn:2:120507:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC#CCS(=O)(=O)C1CC1,TYNBTCNXZMJPTM-UHFFFAOYSA-N
-rxn:2:120592:167512,COCCN1CCN(c2ncccc2NC(C)c2cn(N3CCN(C)CC3)c(=O)[nH]c2=O)CC1,DFEMIRVPFUAVNJ-UHFFFAOYSA-N
-rxn:2:120734:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCN(C)C1CCS(=O)(=O)CC1,LYDXNRHULZQYAV-UHFFFAOYSA-N
-rxn:2:120734:151465,CN(CCNC(c1ccc(N2CCOCC2)o1)c1cccs1)C1CCS(=O)(=O)CC1,YMOXSIJGSWTAHT-UHFFFAOYSA-N
-rxn:2:121050:146079,Cc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1C(C)NC1(CN2CCS(=O)(=O)CC2)CCCCC1,QPZOIPVGTNCEEM-UHFFFAOYSA-N
-rxn:2:121050:152707,COc1ccc(C(C)NC2(CN3CCS(=O)(=O)CC3)CCCCC2)cc1-c1cc(=O)[nH]c(=O)[nH]1,MOGOSFRCJYRDLX-UHFFFAOYSA-N
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-rxn:2:121262:126600,Cc1ccc(C(C)NC2CCN(C3CCN(C)CC3)C(C)C2)c(OS(=O)(=O)F)c1,PSUKDOZGSADHEH-UHFFFAOYSA-N
-rxn:2:121494:152317,Cc1nc[nH]c1C(CNC(C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2)N1CCN(C)CC1,SGGLFUAWRGXKSA-UHFFFAOYSA-N
-rxn:2:121982:146538,CCC1(CC)OC(C)(C)C1NC(c1ccc(OC)cc1)c1c[nH]c(C(=O)N=CN(C)C)c1,HDUIWEPRKNXJIU-UHFFFAOYSA-N
-rxn:2:122282:127862,CC(C)C(C)N(C)CC(NCC1(N(C)C)CCN(C)C1)c1ccc[nH]1,OSLMJGAEXTURRL-UHFFFAOYSA-N
-rxn:2:122361:152807,COS(=O)(=O)c1ccc(-c2ccsc2C(C)NC2CCN(C3CCN(C)CC3)C2)cc1,WDGWWUNJXDGZNV-UHFFFAOYSA-N
-rxn:2:122361:155591,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NC3CCN(C4CCN(C)CC4)C3)nc2)nc1,MOJIJTQZGVIAQY-UHFFFAOYSA-N
-rxn:2:122361:155721,CCS(=O)(=O)c1ccc(-c2cccnc2C(C)NC2CCN(C3CCN(C)CC3)C2)cc1,DEWULIBDMVBNMA-UHFFFAOYSA-N
-rxn:2:123033:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(c1cccs1)N1CCN(C)CC1,FHPSSAYORYIYFW-UHFFFAOYSA-N
-rxn:2:123135:126600,Cc1ccc(C(C)NC2CCC3CC2CN3C2CC2)c(OS(=O)(=O)F)c1,ZANOPWSEPZOKRU-UHFFFAOYSA-N
-rxn:2:123685:147883,CCS(=O)(=O)C1CCC(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)CC1,DYGYMGLLRIZZPT-UHFFFAOYSA-N
-rxn:2:124025:147728,CC(=O)c1ccc(C2C(CSC(C)NC[C@H]3C[C@@H](CN(C)C)C3)C2(F)F)cn1,PABDLEFKLKYMHZ-CYJFBURWSA-N
-rxn:2:124025:155396,CC(=O)c1ccc(C2C(CSC(C)NC[C@H]3C[C@@H](CN(C)C)C3)C2(F)F)nc1,OQJYWWSTKAHICE-CYJFBURWSA-N
-rxn:2:124106:147883,COc1cnn(C2CCS(=O)(=O)CC2)c1NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,QFGXXYKSCBAYMD-UHFFFAOYSA-N
-rxn:2:125152:134221,CCC(NCC1CN(c2cc(C)ccc2OC)CCN1C)c1cnc(N2CCN(C)CC2)cc1C,SPBYWTLAQDHMTP-UHFFFAOYSA-N
-rxn:2:125152:167836,COc1ccc(C)cc1N1CCN(C)C(CNC(C)c2ncc(-c3ccccc3CN(C)C)cc2OC)C1,XWCRGEHQHCNWRK-UHFFFAOYSA-N
-rxn:2:125286:154594,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NC3CCC(C(C4CCC4)N(C)C)CC3)nc2)cn1,GFVWXAQDCDPCSX-UHFFFAOYSA-N
-rxn:2:125337:94440,CCC(NCCCN1CCN(C)Cc2cc(OC)ccc21)c1ccc(N2CCN(C)CC2)nc1,FPBOOMFVWFETDI-UHFFFAOYSA-N
-rxn:2:125345:160431,COc1ccc(CS(C)(=O)=O)cc1NC1CCCCCC1OS(=O)(=O)c1ccc(C)cc1,QAQOQJSNSNSUKU-UHFFFAOYSA-N
-rxn:2:125535:152317,CC(C)CC(NC(C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2)c1ncc(C2CCCCC2)[nH]1,FDYSINRPKRESHH-UHFFFAOYSA-N
-rxn:2:125755:146079,Cc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1C(C)NCC1(N2CCCC2)CCS(=O)(=O)CC1,LFSNLFWHJLLAPB-UHFFFAOYSA-N
-rxn:2:125755:173268,COc1ccc(C(NCC2(N3CCCC3)CCS(=O)(=O)CC2)C(C)C)cc1-c1cccs1,PJHXXVIBUFHZQK-UHFFFAOYSA-N
-rxn:2:126958:126600,Cc1ccc(C(C)NC2CC3CCC(C2)N3C2COC2)c(OS(=O)(=O)F)c1,YBWLHWQIYNHWEC-UHFFFAOYSA-N
-rxn:2:127288:146567,Cc1c(C(C)NC(C)n2cc(-c3cnn(C4CCC(=O)CC4)c3)cn2)cnn1C1CCS(=O)(=O)C1,XTIRAOCVCHFIOS-UHFFFAOYSA-N
-rxn:2:127839:126600,Cc1ccc(C(C)NCC(C2CCN(C)CC2)C2CCCN(C)C2)c(OS(=O)(=O)F)c1,VZXCLANILATPFO-UHFFFAOYSA-N
-rxn:2:128132:69008,CN(C1CCS(=O)(=O)C1)C1CCCCC1Nc1cncc(OS(=O)(=O)F)c1,SBSACTAVRYILEZ-UHFFFAOYSA-N
-rxn:2:129114:156195,CC(NC1CCC(N2CCN3CCCC3C2)CC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,FHWRPTNSVNCVKG-UHFFFAOYSA-N
-rxn:2:129233:171015,COCC1(NC(c2ccc(-c3ccc(C)c4ncccc34)cc2)C(C)C)CC2(CCC(F)(F)CC2)C1,NWHFJCQFTHNSMZ-UHFFFAOYSA-N
-rxn:2:129233:171706,COCC1(NC(c2ccc(-c3ccc4cccnc4c3C)cc2)C(C)C)CC2(CCC(F)(F)CC2)C1,WIDGMQPGLNYDNU-UHFFFAOYSA-N
-rxn:2:129395:152317,CCC(NC(C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2)c1cnc(N2CCN(C)CC2)c(C)c1,XIXMLXZQHABLLO-UHFFFAOYSA-N
-rxn:2:129597:147883,CCCS(=O)(=O)C1CCC(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)CC1,CDZOLTSHMHXLEG-UHFFFAOYSA-N
-rxn:2:129599:152707,COc1ccc(C(C)NCC(C)(C)CN(C)C(C)C(C)(C)C)cc1-c1cc(=O)[nH]c(=O)[nH]1,JLKQSYIOQZLZCX-UHFFFAOYSA-N
-rxn:2:130262:160431,COc1cccc(OC)c1C#CCNC1CCCCCC1OS(=O)(=O)c1ccc(C)cc1,DBHGIGFGIWKAMV-UHFFFAOYSA-N
-rxn:2:130791:154594,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NC3CCC(N4CCCC(CN(C)C)C4)C3)nc2)cn1,FFPRETGZULMWSY-UHFFFAOYSA-N
-rxn:2:131068:153696,CCCC(NCC(F)(F)CN1CCC2(CCC2)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,PLDJUXGHLSXLAP-UHFFFAOYSA-N
-rxn:2:131379:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cc(=O)[nH]n1C(C)C1CC1(F)F,RLSWZJADSZVBJQ-UHFFFAOYSA-N
-rxn:2:131379:86158,CC(=O)c1cccc(C2CC2CCSC(C)Nc2cc(=O)[nH]n2C(C)C2CC2(F)F)n1,SPKZZKCRZAMRMF-UHFFFAOYSA-N
-rxn:2:132179:147883,COc1ccc(CS(=O)(=O)C(C)C)cc1NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,HGLHKMWZWJSIPT-UHFFFAOYSA-N
-rxn:2:132226:148941,CC(CN1CCN(C2CCCC2)CC1)NC(C)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,PSYIVHBJUVTXPF-UHFFFAOYSA-N
-rxn:2:132226:156195,CC(CN1CCN(C2CCCC2)CC1)NC(C)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,SYYYXFNSPUPBNP-UHFFFAOYSA-N
-rxn:2:132226:167576,CC(CN1CCN(C2CCCC2)CC1)NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,ZFIQMNNJUMTWAX-UHFFFAOYSA-N
-rxn:2:132314:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1CCS(=O)(=O)CC1,AQARKSWUEOOPNL-UHFFFAOYSA-N
-rxn:2:135062:144472,CCCC(NCC(C(C)C)N1CCN(C(C)C)CC1)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,RPLNCICGVWUERW-UHFFFAOYSA-N
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-rxn:2:168587:89951,CCCc1cccc(-n2[nH]c(=O)cc2CNC2CCCCC2N2CCS(=O)(=O)CC2)n1,KQELSVVCOZASKR-UHFFFAOYSA-N
-rxn:2:66228:155591,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NC3CCCC3N3CCCN(C)CC3)nc2)nc1,CDPHIFSUTILJTN-UHFFFAOYSA-N
-rxn:2:66228:165256,CC(NC1CCCC1N1CCCN(C)CC1)c1csc(-c2ccc(S(C)(=O)=O)cc2)c1,NBGWVOUWABXHNH-UHFFFAOYSA-N
-rxn:2:66355:162583,CS(=O)(=O)n1cc(-c2ccc(C(NC3CCC4(CC3)CS(=O)(=O)C4)C3CC3)cc2)cn1,RVQWMNWMICPZTP-UHFFFAOYSA-N
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-rxn:2:66641:147883,CCC(C)(NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C)c1cc(C(C)C)ccc1OC,LDCJHPBWIMBZEX-UHFFFAOYSA-N
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-rxn:2:66816:147270,CC(NC1CCN(C2CCN(C)CC2)CC1)c1sccc1-c1ccc(S(C)(=O)=O)nc1,AMMHDNNRDJQNHG-UHFFFAOYSA-N
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-rxn:2:67396:162580,CCC(N[C@@H](CN1CCCC1)C(C)C)c1ccc(N2CCS(=O)(=O)CC2)nc1,DYAUOROUPIFIAJ-ANYOKISRSA-N
-rxn:2:67505:80448,CC(C)C1CCCC(NCC2CCCCN2C[Si](C)(C)C)CC1,BOKBVZCQSDMYER-UHFFFAOYSA-N
-rxn:2:67675:167512,CC1CN(c2ncccc2CNC(C)c2cn(N3CCN(C)CC3)c(=O)[nH]c2=O)C(C)CO1,MRVIRVNZGFBLNQ-UHFFFAOYSA-N
-rxn:2:68229:94656,CC(C)C1(F)CCC(Nc2cn(CCN(C)C)nc2C2CCC2)CC1,OKLJONCRJPDGIM-UHFFFAOYSA-N
-rxn:2:68439:126600,Cc1ccc(C(C)NCC2CCN(C3CCN(C)CC3)C2)c(OS(=O)(=O)F)c1,KHJJYIGMHUDXMV-UHFFFAOYSA-N
-rxn:2:68647:148020,Cc1cc(S(C)(=O)=O)ccc1-c1cccnc1C(C)NC1CCCN(C2CCN(C)CC2)C1,RSJAGMVIKGHPQM-UHFFFAOYSA-N
-rxn:2:68647:155721,CCS(=O)(=O)c1ccc(-c2cccnc2C(C)NC2CCCN(C3CCN(C)CC3)C2)cc1,LBHNARXHLVZFJE-UHFFFAOYSA-N
-rxn:2:68647:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCCN(C3CCN(C)CC3)C2)cn1,VFJUJYUCEMJQEG-UHFFFAOYSA-N
-rxn:2:68647:164099,CC(NC1CCCN(C2CCN(C)CC2)C1)c1cc(-c2ccc(S(C)(=O)=O)nc2)cs1,UQDNCDWMZPRSRA-UHFFFAOYSA-N
-rxn:2:69013:152807,COS(=O)(=O)c1ccc(-c2ccsc2C(C)NC2(C3CCS(=O)(=O)C3)CCCCC2)cc1,FUMLVLZZJLUQMZ-UHFFFAOYSA-N
-rxn:2:69023:143151,CC(NC1CCCCCC1N1CCCN(C)CC1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,OUBFNQHSZWLTSV-UHFFFAOYSA-N
-rxn:2:70016:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCOC1CCS(=O)(=O)CC1,ZJJIZCIUXCDXTJ-UHFFFAOYSA-N
-rxn:2:70140:152807,COS(=O)(=O)c1ccc(-c2ccsc2C(C)NC2COCC2N2CCN(C)CC2)cc1,DUAJJJSVYPNYAQ-UHFFFAOYSA-N
-rxn:2:70472:156195,CC(NC1CCN(C2CCN(C3CC3)C2)CC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,WTVRLXJIVDPIPR-UHFFFAOYSA-N
-rxn:2:70482:143151,CC(NC1CCN(C2CCN3CCCC23)C(C)C1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,GOVDTPYDJDELOU-UHFFFAOYSA-N
-rxn:2:71316:147883,CCS(=O)(=O)C(CNC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C)C1CCCC1,FRUOWRSHTFDCLI-UHFFFAOYSA-N
-rxn:2:71722:153696,CCCC(NC1CCC2(CC1)C(C(C)C)C2(F)F)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,PZZPEDQTFWORGL-UHFFFAOYSA-N
-rxn:2:71786:161548,CC(=O)c1ccc(C2C(CSC(C)N[C@H](c3cccn3C)C3CCCC3)C2(F)F)cc1,JUBSAXLJDIHCSZ-PEOZNKPKSA-N
-rxn:2:72075:140169,COc1ccc(OC(=O)[C@H](C)NC2CCCCC2S(=O)(=O)F)cc1OC,IJUANAABPDKCAN-XOMBGVMMSA-N
-rxn:2:72102:99236,CCN1CCCCCC1CC(NCCCN1CCS(=O)(=O)CC1)c1cccs1,CCSJPMUQTCZAHI-UHFFFAOYSA-N
-rxn:2:72480:167512,CC(NCC1CN(Cc2ccncc2)CCO1)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,YIGVFDYMZSHFEB-UHFFFAOYSA-N
-rxn:2:72636:167512,CCOC1CCN(c2ncncc2NC(C)c2cn(N3CCN(C)CC3)c(=O)[nH]c2=O)C1,KSBJXSRBBVJJAZ-UHFFFAOYSA-N
-rxn:2:72660:122636,COc1cc(C)c(C(CN2CCCCC2)Nc2ncc(S(=O)(=O)C3CC3)cc2OC)c(C)c1,VBTASZQONLICSB-UHFFFAOYSA-N
-rxn:2:72660:138669,COc1ccc(C(C)Nc2ncc(S(=O)(=O)C3CC3)cc2OC)cc1OC1CCN(C)CC1,ICNRJQMRJCYDIB-UHFFFAOYSA-N
-rxn:2:72660:148870,CCN1CCN(CC(Nc2ncc(S(=O)(=O)C3CC3)cc2OC)c2c(C)[nH]c3ccccc23)CC1,QUGGQOABVCOREA-UHFFFAOYSA-N
-rxn:2:72660:80767,COc1cc(C)c(C2(CC(C)Nc3ncc(S(=O)(=O)C4CC4)cc3OC)COC2)cc1OC,GFBQVXQIVFRECZ-UHFFFAOYSA-N
-rxn:2:72660:95397,COc1ccccc1C(CN1CCN(C)CC1)Nc1ncc(S(=O)(=O)C2CC2)cc1OC,VQTJURJNOXQFCM-UHFFFAOYSA-N
-rxn:2:72660:95892,COc1cccc(C(CCN2CCOCC2)Nc2ncc(S(=O)(=O)C3CC3)cc2OC)c1,VEVDDUJCCJTNFW-UHFFFAOYSA-N
-rxn:2:73080:106343,COc1ccc(NC2CCC(S(=O)(=O)C3CCCC3)CC2)cc1OS(=O)(=O)F,GGDMYDHBBOBYNM-UHFFFAOYSA-N
-rxn:2:73080:145434,COc1ccc(NC2c3cccc(OC)c3OCCC2CN2CCCCC2)cc1OS(=O)(=O)F,BKMVBUDWKSAPLZ-UHFFFAOYSA-N
-rxn:2:73305:146079,Cc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1C(C)NCC1(N2CCC(C)C2)CCS(=O)(=O)CC1,DVAPZRFJAUXHAR-UHFFFAOYSA-N
-rxn:2:73305:151465,CC1CCN(C2(CNC(c3ccc(N4CCOCC4)o3)c3cccs3)CCS(=O)(=O)CC2)C1,KUFXUZIBQQVCNA-UHFFFAOYSA-N
-rxn:2:73305:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2(N3CCC(C)C3)CCS(=O)(=O)CC2)cn1,ASRFGDJTLPCSFY-UHFFFAOYSA-N
-rxn:2:73305:166857,Cc1ccc(C(CSc2n[nH]c(=O)[nH]c2=O)NCC2(N3CCC(C)C3)CCS(=O)(=O)CC2)cc1,LPPJCXJIJPPFOC-UHFFFAOYSA-N
-rxn:2:73657:146538,COCC1C(F)(F)C12CCC(NC(c1ccc(OC)cc1)c1c[nH]c(C(=O)N=CN(C)C)c1)CC2,GYUAEULHOYMSMV-UHFFFAOYSA-N
-rxn:2:73657:150884,COCC1C(F)(F)C12CCC(NC(c1ccc(OC)cc1)c1c[nH]c(C(=O)/N=C/N(C)C)c1)CC2,GYUAEULHOYMSMV-OKCVXOCRSA-N
-rxn:2:73759:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(n2cncn2)CCS(=O)(=O)CC1,HQCJKTVYKLMYHI-UHFFFAOYSA-N
-rxn:2:73899:115615,CC(=O)Oc1cc(OC(C)NCCCN2CCCN(c3cnccn3)CC2)cc(C(C)=O)c1,SFSCUNAVXIOOEV-UHFFFAOYSA-N
-rxn:2:73905:136378,COc1ccc([C@H](C)NC2CCN(CCOS(C)(=O)=O)CC2)c(OC)c1,YYFUGOXTCPKVFO-AWEZNQCLSA-N
-rxn:2:74323:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCS(=O)(=O)C(C)(C)C,AOJXVEFZRFUXRO-UHFFFAOYSA-N
-rxn:2:74555:147728,CC(=O)c1ccc(C2C(CSC(C)N[C@]3(C)C[C@H](N(C)C)C3)C2(F)F)cn1,YUZGTEOKHWWIGH-VAHGNSLSSA-N
-rxn:2:74555:155396,CC(=O)c1ccc(C2C(CSC(C)N[C@]3(C)C[C@H](N(C)C)C3)C2(F)F)nc1,JNXWSTCPUXAFIF-VAHGNSLSSA-N
-rxn:2:76057:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(CN(C)C2CCS(=O)(=O)C2)CCC1,WOSXZDFMAYEENL-UHFFFAOYSA-N
-rxn:2:76214:83653,CC1C(F)(F)C12CCC(Nc1cnc(N3CCCCC3)nc1N(C)C)CC2,ZCUKYZQTXPXXFV-UHFFFAOYSA-N
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-rxn:3:53841:2259:66552,CCN1CCC(c2cn(CCC3C(c4scnc4C(=O)Nc4cc(OC)c(C)c(OC)c4)C3(F)F)nn2)CC1,NNLSCAKHSSLRJQ-UHFFFAOYSA-N
-rxn:3:54804:6404:120574,CN1CCCN(c2ncc(-c3cn(CCC4C(c5ccc6[nH]nc(C(=O)NC78CCCC7CS(=O)(=O)C8)c6c5)C4(F)F)nn3)cn2)CC1,VEJKPCIDNNDLFA-UHFFFAOYSA-N
-rxn:3:55879:17887:66355,CCCc1ccnc(-n2nccc2-c2cn(CC3CC3c3cccnc3C(=O)NC3CCC4(CC3)CS(=O)(=O)C4)nn2)c1,WMYRFFZKNPJNTO-UHFFFAOYSA-N
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-rxn:3:56298:17887:66039,CCCc1ccnc(-n2nccc2-c2cn(CC3CC3c3cc(C(=O)NCC4CC5(CCCC5)C4)c(F)cn3)nn2)c1,RJCFRHZCQWVLEL-UHFFFAOYSA-N
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-rxn:3:5864:60582:93577,C=CC[C@H](C(=O)N[C@H]1CC[C@H](OCOC)CC1)n1cc(-c2ccc3nccc(N(C)C)c3c2)nn1,HFYLBSXRUGCQFW-UMEGOILYSA-N
-rxn:3:59446:23873:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1C[C@@H](n2cc(-c3cncc([C@@H]4CCCN4C)c3)nn2)C1,DVCWITYHMJAUHU-GANZUKCXSA-N
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-rxn:3:59852:36010:113048,CCn1nccc1-c1cccc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5CCOC56CCS(=O)(=O)CC6)C4)C3)nn2)c1F,OBVGPTSWNNBSQA-PSLLBRLYSA-N
-rxn:3:59852:36914:114314,CCn1nccc1-c1cc(F)cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCCC(S(C)(=O)=O)C5)C4)C3)nn2)c1,FNJSDRCNCKRQGT-DCILMPHSSA-N
-rxn:3:59852:426:71211,CC(C)n1cnc2c(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6(S(C)(=O)=O)CCCC6)C5)C4)nn3)ncnc21,SJMPDKNUKCSQOO-OJOWTSHBSA-N
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-rxn:3:59852:6404:92547,CN1CCCN(c2ncc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)Nc6ccc(OS(=O)(=O)F)cc6)C5)C4)nn3)cn2)CC1,APDSQLURSAKUGL-OGKCQMLTSA-N
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-rxn:3:59990:16806:109100,CCc1c(-c2cn([C@H](C)CC(=O)NCC3C(F)(F)C34CCCC4)nn2)cnn1CCN(C)C,IVPXVUYBAZBYAM-QRIPLOBPSA-N
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-rxn:3:60078:3295:108806,CCn1cnc(-c2cn(CCn3ccn4nc(C(=O)NCC5CCC6(CCS(=O)(=O)CC6)O5)cc34)nn2)c1,WDXTXSDFDKAQBJ-UHFFFAOYSA-N
-rxn:3:60580:38364:113048,C=CC[C@@H](C(=O)NCC1CCOC12CCS(=O)(=O)CC2)n1cc(-c2cn3ccnc3cn2)nn1,DHACHWKKEUBNQK-CVMIBEPCSA-N
-rxn:3:60580:5864:108806,C=CC[C@@H](C(=O)NCC1CCC2(CCS(=O)(=O)CC2)O1)n1cc(-c2ccc3nccc(N(C)C)c3c2)nn1,ZQDHLLKATBNCSM-KUXBLMNESA-N
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-rxn:1:59779:35890,Cc1c(-c2ccccc2-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)ccc2c1NC(=O)CO2,CJHYRDYAWNRAGB-UHFFFAOYSA-N
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-rxn:1:59780:33644,CN(Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1)S(=O)(=O)c1cccs1,FGKUQKOXFJEPRV-UHFFFAOYSA-N
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-rxn:1:62297:206,CC1CC(COc2ccc(-c3cn(C4CC(n5ccc(=O)[nH]c5=O)OC4COP(=O)(O)O)nn3)cn2)C1,JZZPWHGRUACEFR-UHFFFAOYSA-N
-rxn:1:62297:22837,O=c1ccn(C2CC(n3cc(-c4cncc(-n5nc(C6CCCC6)c(Cl)c5Br)c4)nn3)C(COP(=O)(O)O)O2)c(=O)[nH]1,JNABWOOFHBQEPW-UHFFFAOYSA-N
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-rxn:1:62416:23477,CC(C)(C)OC(=O)N1CC(Cn2cc(CN3C=Nc4ncc(Br)cc4S3(=O)=O)nn2)C2(CCOC2)C1,QHVDUTLRJWHYMV-UHFFFAOYSA-N
-rxn:1:624:61482,CC(NCc1cn(Cc2ccc(C(=O)N3CCS(=O)(=O)CC3)s2)nn1)C(=O)N1CCCCCC1,KCGJGXFRSRBXOT-UHFFFAOYSA-N
-rxn:1:62864:12974,Cc1cn(C2CC(n3cc(-c4cccc(C(=O)OC5CCN(c6ncc(Br)cn6)CC5)c4)nn3)C(CO)O2)c(=O)nc1N1CCCC1,XPSWSUUMWOCARA-UHFFFAOYSA-N
-rxn:1:62864:13450,Cc1cn(C2CC(n3cc(-c4ccc(C(=O)OC5CCN(c6ncc(Br)cn6)CC5)cc4)nn3)C(CO)O2)c(=O)nc1N1CCCC1,GJEOXPXVEAHGMF-UHFFFAOYSA-N
-rxn:1:63067:10385,Cc1sc2nc(SCc3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)[nH]c(=O)c2c1-c1ccc(Cl)c(Cl)c1,IGHLXTDGIQHKSK-UHFFFAOYSA-N
-rxn:1:63067:10387,CN(C)C1(CN2CC(Cn3cc(CSc4nc5scc(-c6ccc(Cl)c(Cl)c6)c5c(=O)[nH]4)nn3)CC2=O)CCOCC1,JOTOARDQNRTUAW-UHFFFAOYSA-N
-rxn:1:63067:10412,CN(C)C1(CN2CC(Cn3cc(Cn4c(=O)[nH]c5scc(-c6ccc(Cl)cc6)c5c4=O)nn3)CC2=O)CCOCC1,HNQWNGRMMASTPX-UHFFFAOYSA-N
-rxn:1:63067:10414,CN(C)C1(CN2CC(Cn3cc(Cn4c(=O)[nH]c5scc(-c6ccc(F)cc6)c5c4=O)nn3)CC2=O)CCOCC1,XLPAPZOXGBWLHQ-UHFFFAOYSA-N
-rxn:1:63067:10466,Cc1ccc(Br)c(-c2csc3ncn(Cc4cn(CC5CC(=O)N(CC6(N(C)C)CCOCC6)C5)nn4)c(=O)c23)c1,GRHYNCGOHFLVGA-UHFFFAOYSA-N
-rxn:1:63067:10473,CN(C)C1(CN2CC(Cn3cc(Cn4c(=O)[nH]c5scc(-c6ccc(Cl)c(Cl)c6)c5c4=O)nn3)CC2=O)CCOCC1,MQHLYGQHUUDKTI-UHFFFAOYSA-N
-rxn:1:63067:106,Cc1cc(C)c2c(N)c(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)sc2n1,MMIWCVJFKRMYPD-UHFFFAOYSA-N
-rxn:1:63067:15102,CC(C)c1ccc(-n2[nH]c(=O)cc2-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cc1,ALWODSSQFVDUNN-UHFFFAOYSA-N
-rxn:1:63067:15254,CC(C)c1ccnc(-n2[nH]c(=O)cc2-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c1,IQGRSLQLXIQNAJ-UHFFFAOYSA-N
-rxn:1:63067:15262,Cc1ccnc(-n2[nH]c(=O)cc2-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c1F,DUNRITNCNYGNHT-UHFFFAOYSA-N
-rxn:1:63067:15274,Cc1ccnc(-n2[nH]c(=O)cc2-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c1Cl,LBMDJOOZMILQPM-UHFFFAOYSA-N
-rxn:1:63067:15296,CC(C)c1cccc(-n2[nH]c(=O)cc2-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)n1,QCFUBFOHMJPLGZ-UHFFFAOYSA-N
-rxn:1:63067:1530,CC(NCc1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1)c1ccc(Br)s1,RROTZVWUNWGZJW-UHFFFAOYSA-N
-rxn:1:63067:15462,CC(C)n1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c(C2CCC2)n1,NQOBRJZTZRGDQK-UHFFFAOYSA-N
-rxn:1:63067:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c(C3CCCC3)n2)cc1,HGSMACCJFUECRM-UHFFFAOYSA-N
-rxn:1:63067:15522,CC(C)Cc1ccn(Cc2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)n1,NQHJXMZADAZBPC-UHFFFAOYSA-N
-rxn:1:63067:15534,CC(C)Cc1nn(C)cc1-c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,CEFCFDTXZGSFQZ-UHFFFAOYSA-N
-rxn:1:63067:16776,Cc1c(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cnn1C(C)C,MMIQKJPEETVLIL-UHFFFAOYSA-N
-rxn:1:63067:17584,CC(C)c1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)nn1C1CC1,UCZHBRAOEYRXSJ-UHFFFAOYSA-N
-rxn:1:63067:17587,CC(C)c1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)nn1C1CCSC1,HCVCEAIDXCSNDR-UHFFFAOYSA-N
-rxn:1:63067:17897,CC(C)c1cccc(-n2nccc2-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)n1,PHERRVNWXRELIN-UHFFFAOYSA-N
-rxn:1:63067:17902,CC(C)c1ccnc(-n2cc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)cn2)c1,UAMKTKOPJFRZPG-UHFFFAOYSA-N
-rxn:1:63067:17910,Cc1ccnc(-n2cc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)cn2)c1C1CC1,NTHWGVYGVVOVGK-UHFFFAOYSA-N
-rxn:1:63067:1833,CC(=O)Nc1cccn2c(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)cnc12,CXNQMAAFLKCTIE-UHFFFAOYSA-N
-rxn:1:63067:18541,CC(C)c1cn(C2CCSCC2)nc1-c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,FQRWSARWRIHVIY-UHFFFAOYSA-N
-rxn:1:63067:18555,CC(C)n1cc(C2CC2)c(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)n1,RORGHISGMJVDFN-UHFFFAOYSA-N
-rxn:1:63067:18658,CC(C)c1nn(Cc2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cc1Cl,PGPPGYMMVMQCFS-UHFFFAOYSA-N
-rxn:1:63067:18659,CC(C)c1nn(Cc2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cc1I,SHMHUFGFXXYCOF-UHFFFAOYSA-N
-rxn:1:63067:18702,CC(C)CCn1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c(C2CC2)n1,JIVCTKVLZJZYGD-UHFFFAOYSA-N
-rxn:1:63067:18816,CC(C1CCSCC1)n1nccc1-c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,DJDUVMCSUZREOQ-UHFFFAOYSA-N
-rxn:1:63067:18818,CC(C1CCOC1)n1nccc1-c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,MNOJLPAOANAIKH-UHFFFAOYSA-N
-rxn:1:63067:19197,CC(C1CC1)n1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cn1,RECSFYRWAZCAMS-UHFFFAOYSA-N
-rxn:1:63067:19205,CC(C1CCOC1)n1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cn1,XNPYJFNAIUGGFR-UHFFFAOYSA-N
-rxn:1:63067:22260,CC(C)c1cnoc1-c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,UWKCVNNZSGOZBN-UHFFFAOYSA-N
-rxn:1:63067:22712,CC(C)c1nn(-c2cncc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c2)c(Cl)c1Cl,SUVMMIWIBFDDHW-UHFFFAOYSA-N
-rxn:1:63067:23084,C[C@H]1CO[C@@H](c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)CN1,BCZXYTBQQBRFKY-NANQTSIFSA-N
-rxn:1:63067:23445,CC(C)c1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c(Cl)nc1C(C)C,NPESWBFJWQPVHW-UHFFFAOYSA-N
-rxn:1:63067:23446,CC(C)c1ccc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c(Cl)n1,PMRGFMRHFDEDOW-UHFFFAOYSA-N
-rxn:1:63067:23465,CC(C)c1cc(Cl)c(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cn1,ABAPRYHWXFDBJT-UHFFFAOYSA-N
-rxn:1:63067:23522,CC(C)c1ccc2c(N)c(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)oc2n1,VVJGJKNCLOUIQZ-UHFFFAOYSA-N
-rxn:1:63067:29494,CC1CNCCN1c1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)ncn1,ZXLQDLBNQGUEOX-UHFFFAOYSA-N
-rxn:1:63067:3,CCNc1ccc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)nn1,MISIRLXBVKSUFD-UHFFFAOYSA-N
-rxn:1:63067:30343,CCC(C)n1ccc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)n1,MPDSIDLOEDRILG-UHFFFAOYSA-N
-rxn:1:63067:31127,C[C@@H](c1ccccc1)n1cc(-c2cc(F)cc3c(-c4cn(CC5CC(=O)N(CC6(N(C)C)CCOCC6)C5)nn4)n[nH]c23)c(=O)[nH]c1=O,VLMKVARNQMHDOP-HMTLIYDFSA-N
-rxn:1:63067:31781,CCc1n[nH]c2c(Cl)ccc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c12,GAEHHULMGOECJA-UHFFFAOYSA-N
-rxn:1:63067:32201,CC(C)c1cncc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c1,MVWVLDLFRJWYBY-UHFFFAOYSA-N
-rxn:1:63067:33233,Cc1cnn(CC(=O)Nc2ccc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)nc2)c1,WSWZBBMBFLOXPU-UHFFFAOYSA-N
-rxn:1:63067:33628,CC(NC(=O)Cn1cc(Cl)cn1)c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,REMZJPXXXICVBM-UHFFFAOYSA-N
-rxn:1:63067:34679,C=CCC(=O)Nc1ncc(Br)nc1-c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,WIQQPERCIYOBRD-UHFFFAOYSA-N
-rxn:1:63067:35559,Cc1nscc1C(=O)Nc1ccc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)nc1,QYSCYUUOYMSCCR-UHFFFAOYSA-N
-rxn:1:63067:36011,CCOc1ccc(-c2ccc(F)cc2-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cn1,WUCPSVPSBVRAJD-UHFFFAOYSA-N
-rxn:1:63067:36221,CC(C)Cn1nccc1-c1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)ccn1,PEJMHPZBEJQABI-UHFFFAOYSA-N
-rxn:1:63067:36684,CC(C)Cn1nccc1-c1cccc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c1F,IQBDBYGAESMNBI-UHFFFAOYSA-N
-rxn:1:63067:37454,CCCOc1ncccc1-c1cc(F)cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c1,CYHHWWNVQKKBIT-UHFFFAOYSA-N
-rxn:1:63067:38492,CC(C)Oc1ccc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cn1,OWVQPCJQFMHPKA-UHFFFAOYSA-N
-rxn:1:63067:3954,Cc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,WKWHDBQXLZBSBC-UHFFFAOYSA-N
-rxn:1:63067:417,CC1CC(Cn2cc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)cn2)C1,QIFGUVGEGRMQIP-UHFFFAOYSA-N
-rxn:1:63067:426,CC(C)n1cnc2c(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)ncnc21,MSWLIDSGUWIMSM-UHFFFAOYSA-N
-rxn:1:63067:5481,CCc1nn(Cc2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c(=O)c2cc3sccc3n12,GPKYCGWWABJFQW-UHFFFAOYSA-N
-rxn:1:63067:5499,CCn1c2cc(C)sc2c2cnn(Cc3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c(=O)c21,ZFCYKZWHWCSGGH-UHFFFAOYSA-N
-rxn:1:63067:6145,CC(c1c(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cnn1C)C1CC1,VQMWMCDGFFEKCQ-UHFFFAOYSA-N
-rxn:1:63067:6236,CNC1CN(c2cc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)ncn2)C1,UTLAOLPSAGGRSC-UHFFFAOYSA-N
-rxn:1:63067:6247,C[C@@H]1CNCCN1c1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)ncn1,ZXLQDLBNQGUEOX-MRTLOADZSA-N
-rxn:1:63067:6248,C[C@H]1CNCCN1c1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)ncn1,ZXLQDLBNQGUEOX-OYKVQYDMSA-N
-rxn:1:63067:8313,CN(C)C1(CN2CC(Cn3cc(C(=O)N4CCC(c5nccnc5-n5ccnc5)CC4)nn3)CC2=O)CCOCC1,MZSJXBPFEGDXIN-UHFFFAOYSA-N
-rxn:1:63098:8503,CNS(=O)(=O)c1ccc(N2CC(Cn3cc(C(=O)N4CCOCC(Cc5cccn6nccc56)C4)nn3)CC2=O)cc1,HCXNCVOPXYSASJ-UHFFFAOYSA-N
-rxn:1:64444:9825,CCN1CCC2(CC1)CN(Cc1cn(CCCS(=O)(=O)Cl)nn1)c1cc(OC)c(OC)cc1N2,VWXDOPDFPAKVQQ-UHFFFAOYSA-N
-rxn:1:9029:59779,Cc1ccc(Cc2nnc(SCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)n2N)cc1,RLXKOJYFAPODMF-UHFFFAOYSA-N
-rxn:3:11519:58229:69859,C=C(C)C[N+](C)(C)Cc1cn(CCCc2cc(C(=O)N[C@H]3CC[Se]C3)c(F)cn2)nn1,NEYLNWGNOZNYGE-SFHVURJKSA-O
-rxn:3:11519:58230:124396,C=C(C)C[N+](C)(C)Cc1cn(CCCc2nccc(C(=O)N[C@@H]3CCC[C@H](F)C3)c2F)nn1,DBEAVDUQCHHEOU-RBUKOAKNSA-O
-rxn:3:11701:49937:125530,C=Cc1cnn(CCc2cn(CC3C(c4cn[nH]c4C(=O)NC4COC5(CCC5)C4OC)C3(F)F)nn2)c1,LNGGZQXFCZDKDI-UHFFFAOYSA-N
-rxn:3:12214:40441:139366,CCN1C[C@@H](F)[C@H](c2cn(CC=Cc3cnc(C(=O)NCc4cc(OC)c5c(c4)OCO5)nc3)nn2)C1,AFDDDQXKLFFIFD-RTBURBONSA-N
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-rxn:3:12214:40863:79102,CCN1C[C@@H](F)[C@H](c2cn(CC=Cc3cnn([C@@H](C)C(=O)N[C@H]4COc5cc(OC)ccc54)c3)nn2)C1,LVZNLAYVGZMDJO-UTWPSFJPSA-N
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-rxn:3:16806:61524:134564,CCc1c(-c2cn(C3(C(=O)NC[C@@H]4C[C@@H]4F)CCCC3)nn2)cnn1CCN(C)C,ABTGAXFEGWAYQD-RDJZCZTQSA-N
-rxn:3:17571:43044:121443,CCc1cc(-c2cn(CC#Cc3nccc(C(=O)NOS(C)(=O)=O)c3F)nn2)nn1C1CCSCC1,DQJGWEKNQVPOGM-UHFFFAOYSA-N
-rxn:3:17571:58230:121443,CCc1cc(-c2cn(CCCc3nccc(C(=O)NOS(C)(=O)=O)c3F)nn2)nn1C1CCSCC1,MREILEHXIIIZDO-UHFFFAOYSA-N
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-rxn:3:1911:40919:133296,C=CCN(C)Cc1cn(CC=Cc2cc(C(=O)NC3CCCSCC3)c(F)cn2)nn1,VFXPFVBNYISOEY-UHFFFAOYSA-N
-rxn:3:20088:59969:140794,CCS(=O)(=O)CC1(CNC(=O)[C@@]23C[C@@H](n4cc(CSc5nc6ncc(C#N)cn6n5)nn4)[C@@H]2C3)CC1,LULDVANSZHTHAW-JKSBSHDWSA-N
-rxn:3:22938:43042:141641,CCc1ccnc(-c2cn(CC#Cc3cc(C(=O)N[C@H]4CC[C@H](CCCOC)CC4)c(F)cn3)nn2)c1,JCSXQJSTPJFJMD-HZCBDIJESA-N
-rxn:3:22938:43044:141641,CCc1ccnc(-c2cn(CC#Cc3nccc(C(=O)N[C@H]4CC[C@H](CCCOC)CC4)c3F)nn2)c1,NSGDZBBPIUYFKL-HZCBDIJESA-N
-rxn:3:22999:44053:96700,C[N+](C)(C)Cc1cn(CCC#Cc2ccc(C(=O)NC3CC4(C3)CC(F)(F)C4)o2)nn1,WMMBFSXEFFEAGQ-UHFFFAOYSA-O
-rxn:3:23873:59842:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@H]1CC=C[C@H](n2cc(-c3cncc([C@@H]4CCCN4C)c3)nn2)C1,AEEHUDZHTVQVFT-NHZRIVAWSA-N
-rxn:3:23873:59842:92547,CN1CCC[C@H]1c1cncc(-c2cn([C@H]3C=CC[C@H](C(=O)Nc4ccc(OS(=O)(=O)F)cc4)C3)nn2)c1,PLIMQFVLWSZFNW-JBUDQFAYSA-N
-rxn:3:27942:47746:141845,CN(C)c1ccncc1-c1cn(-c2c(F)cc3c(=O)c(C(=O)NC[C@H]4[C@@H]5CCCC[C@@H]54)cn(C4CC4)c3c2F)nn1,ZMHBMYIZFUPKIS-RUYXUALKSA-N
-rxn:3:28122:46343:102708,CS[C@H]1C[C@H](NC(=O)c2ccnc(C=CCCn3cc(-c4ccc5n4CCC5N(C)C)nn3)c2F)C1,OQJQCZPSUKQSSU-NCHKGXLSSA-N
-rxn:3:28122:46343:134260,CS[C@H]1C[C@@H](NC(=O)c2ccnc(C=CCCn3cc(-c4ccc5n4CCC5N(C)C)nn3)c2F)C1,OQJQCZPSUKQSSU-NHJWOMDBSA-N
-rxn:3:28143:43044:125279,CN(C)[C@H]1CC[C@@H](c2cn(CC#Cc3nccc(C(=O)NC4CCOc5ccsc54)c3F)nn2)CC1,NPYWDLDJBCGMFG-HTZLVSCSSA-N
-rxn:3:28143:43044:141069,CN(C)[C@H]1CC[C@@H](c2cn(CC#Cc3nccc(C(=O)Nc4scc5c4OCCO5)c3F)nn2)CC1,WNAPGFZAQFXTOZ-CALCHBBNSA-N
-rxn:3:31939:47746:132752,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CC[C@H]6CCC[C@H]65)cn(C5CC5)c4c3F)nn2)c1,LSCODQLLDMIWBB-ZDWFVDTJSA-N
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-rxn:3:31939:51307:92583,CN(C)c1ccnc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)N[C@H]6CCCC7(CC7)C6)c5c4)C3(F)F)nn2)c1,ZBHNMWVFQMURSO-HHIIEYADSA-N
-rxn:3:31939:51307:98462,CN(C)c1ccnc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)N[C@H]6CC[C@@]7(CCO7)CC6)c5c4)C3(F)F)nn2)c1,MCTPUVBIVDORHL-YFEAIDOPSA-N
-rxn:3:32083:46342:127434,C=C1CC(c2cn(CCC=Cc3cc(C(=O)NCC4(OC)COC4)c(F)cn3)nn2)C1,RWGIFXVOECYNAM-UHFFFAOYSA-N
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-rxn:3:35117:46342:105021,C=C(C)c1cn(CCC=Cc2cc(C(=O)NCC3(COC)CCOC3)c(F)cn2)nn1,UBFLZNUHQYWRBZ-UHFFFAOYSA-N
-rxn:3:35117:46343:67005,C=C(C)c1cn(CCC=Cc2nccc(C(=O)N[C@H](CCC)C3CCCC3)c2F)nn1,LVMFPRMRTDIMAR-HXUWFJFHSA-N
-rxn:3:37650:59446:112703,CCOC1(CNC(=O)[C@H]2C[C@@H](n3cc(CCSc4ncc5nccnc5n4)nn3)C2)CCS(=O)(=O)CC1,IKDZJMOLYKTYRU-MAEOIBBWSA-N
-rxn:3:37650:59842:76650,COCC1(CNC(=O)[C@H]2CC=C[C@H](n3cc(CCSc4ncc5nccnc5n4)nn3)C2)CS(=O)(=O)C1,MOEPYPODKALJRF-WMZOPIPTSA-N
-rxn:3:37650:59842:99561,CCOC1(CNC(=O)[C@H]2CC=C[C@H](n3cc(CCSc4ncc5nccnc5n4)nn3)C2)CS(=O)(=O)C1,QDWKLKUONOOXOU-WMZOPIPTSA-N
-rxn:3:37650:60580:112069,C=CC[C@@H](C(=O)NCC1CC12CCS(=O)(=O)CC2)n1cc(CCSc2ncc3nccnc3n2)nn1,FAUHQMUCXIIYPV-CVMIBEPCSA-N
-rxn:3:37650:60582:66355,C=CC[C@H](C(=O)NC1CCC2(CC1)CS(=O)(=O)C2)n1cc(CCSc2ncc3nccnc3n2)nn1,YVYRCEBMSHOGTE-LJQANCHMSA-N
-rxn:3:37650:61795:78229,CC(C)(Cn1cc(CCSc2ncc3nccnc3n2)nn1)C(=O)NCCC1CCS(=O)(=O)CC1,SAYDDRLFMSYSOU-UHFFFAOYSA-N
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-rxn:3:38364:59852:101404,O=C(NCCCS(=O)(=O)[O-])C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cn5ccnc5cn4)nn3)C2)CCO1,KQQINSRTJAWREJ-LGJCEAAXSA-M
-rxn:3:38364:59852:130089,O=C(NCCS(=O)(=O)[O-])C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cn5ccnc5cn4)nn3)C2)CCO1,GWWHCGRBXHZULW-QNRNLVPOSA-M
-rxn:3:39720:59842:84946,CN1CCCC1c1cncc(-c2cn([C@H]3C=CC[C@H](C(=O)NCc4ccc(OS(=O)(=O)F)cc4)C3)nn2)c1,NJLPPZNAWXMVGC-HKJCUSPOSA-N
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-rxn:3:40005:1911:96700,C=CCN(C)Cc1cn(CC=Cc2sccc2C(=O)NC2CC3(C2)CC(F)(F)C3)nn1,BJJFWBIMMJJXBX-UHFFFAOYSA-N
-rxn:3:40441:13895:68840,CCCCC[C@H]1CC[C@@H](c2cn(CC=Cc3cnc(C(=O)N[C@@H]4CCC(F)(F)c5ccccc54)nc3)nn2)CC1,BNFVGOJECZWFMZ-RWCIVJTCSA-N
-rxn:3:40441:14425:69106,CCCCC1CCC(c2cn(CC=Cc3cnc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)nc3)nn2)CC1,SEXRHEGGQGIWSU-UHFFFAOYSA-N
-rxn:3:40559:37896:67474,CCC1C(F)(F)C12CCC(NC(=O)c1cccc(C=CCn3cc(-c4ccc(N(C)C)cn4)nn3)n1)CC2,KHEPDNVZHMDHKB-UHFFFAOYSA-N
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-rxn:3:40919:16782:77752,Cc1c(-c2cn(CC=Cc3cc(C(=O)N[C@H]4CC[C@@H](F)CC4)c(F)cn3)nn2)cnn1CCN(C)C,NSYUBIKXTJTNIG-KDURUIRLSA-N
-rxn:3:40919:16806:124396,CCc1c(-c2cn(CC=Cc3cc(C(=O)N[C@@H]4CCC[C@H](F)C4)c(F)cn3)nn2)cnn1CCN(C)C,CUUKNTPWGBUFSI-AZUAARDMSA-N
-rxn:3:40919:17887:66188,CCCc1ccnc(-n2nccc2-c2cn(CC=Cc3cc(C(=O)NCC4OCCOC45CCC5)c(F)cn3)nn2)c1,UATVPXJJFKKVMZ-UHFFFAOYSA-N
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-rxn:3:40919:23143:69372,CCN1CC(c2cn(CC=Cc3cc(C(=O)NC4CC(C)SC(C)C4)c(F)cn3)nn2)C1,WRFZVSJMNWVCDW-UHFFFAOYSA-N
-rxn:3:40919:28575:67681,CCc1cccnc1-c1cn(CC=Cc2cc(C(=O)N[C@H]3CCCCCC[C@H]3Oc3ccc(OC)cc3)c(F)cn2)nn1,SMMFLILAIBDHLO-IGYGKHONSA-N
-rxn:3:40920:13895:66248,CCCCC[C@H]1CC[C@@H](c2cn(CC=Cc3nccc(C(=O)NC4CCC(F)C4)c3F)nn2)CC1,GIKDEDCYIFPPAF-FDRBHKFBSA-N
-rxn:3:40920:13895:69859,CCCCC[C@H]1CC[C@@H](c2cn(CC=Cc3nccc(C(=O)N[C@H]4CC[Se]C4)c3F)nn2)CC1,BQEKFKWDCWMOOG-HBMCJLEFSA-N
-rxn:3:40920:16782:84646,Cc1c(-c2cn(CC=Cc3nccc(C(=O)N[C@H]4CCC[C@H](F)C4)c3F)nn2)cnn1CCN(C)C,WDVVTKRNKMIBRD-OALUTQOASA-N
-rxn:3:40920:16806:73489,CCc1c(-c2cn(CC=Cc3nccc(C(=O)N[C@H]4CCCC[C@@H]4F)c3F)nn2)cnn1CCN(C)C,UBMXVRWKIQRXPV-SFTDATJTSA-N
-rxn:3:40920:16806:77752,CCc1c(-c2cn(CC=Cc3nccc(C(=O)N[C@H]4CC[C@@H](F)CC4)c3F)nn2)cnn1CCN(C)C,OHMGGRHIMWQWHG-KDURUIRLSA-N
-rxn:3:40920:16806:84646,CCc1c(-c2cn(CC=Cc3nccc(C(=O)N[C@H]4CCC[C@H](F)C4)c3F)nn2)cnn1CCN(C)C,BDSLRMUOBOCLAC-OALUTQOASA-N
-rxn:3:40920:2850:120859,CC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCn3cc(-c4cccnc4N(C)C)nn3)c1F)CC2,GNYZBTDDVPDBRK-UHFFFAOYSA-N
-rxn:3:40920:31939:120859,CC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCn3cc(-c4cc(N(C)C)ccn4)nn3)c1F)CC2,MWIHVOHTUXJDIX-UHFFFAOYSA-N
-rxn:3:40920:31939:67474,CCC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCn3cc(-c4cc(N(C)C)ccn4)nn3)c1F)CC2,WXIWPQLAZLYRER-UHFFFAOYSA-N
-rxn:3:40920:3295:113048,CCn1cnc(-c2cn(CC=Cc3nccc(C(=O)NCC4CCOC45CCS(=O)(=O)CC5)c3F)nn2)c1,GWESIMYCAMKSBI-UHFFFAOYSA-N
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-rxn:3:40920:37896:73657,COCC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCn3cc(-c4ccc(N(C)C)cn4)nn3)c1F)CC2,KAKAOUZMJFMNDP-UHFFFAOYSA-N
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-rxn:3:41040:17887:69330,CCCc1ccnc(-n2nccc2-c2cn(CC=Cc3ccc(CC(=O)N[C@@H]4CCOC5(CCC5)C4)cc3F)nn2)c1,VEWAIOXDIBLKGR-AREMUKBSSA-N
-rxn:3:41042:17887:69377,CCCc1ccnc(-n2nccc2-c2cn(CC=Cc3ccc(CC(=O)NC4COCC45CCCC5)c(F)c3)nn2)c1,FYNUZHXRCWHFCK-UHFFFAOYSA-N
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-rxn:3:41045:17887:69377,CCCc1ccnc(-n2nccc2-c2cn(CC=Cc3cc(F)ccc3CC(=O)NC3COCC34CCCC4)nn2)c1,JGGVCEXSRMBSSK-UHFFFAOYSA-N
-rxn:3:41046:17887:69959,CCCc1ccnc(-n2nccc2-c2cn(CC=Cc3ccc(F)cc3CC(=O)N[C@H]3CC[C@]4(CCO4)CC3)nn2)c1,LVIIYLCAKOPMCM-JCTZZBJSSA-N
-rxn:3:41072:17887:66389,CCCc1ccnc(-n2nccc2-c2cn(CC=Cc3c(F)cc(C(=O)NC4CCCCC(OC)C4)cc3F)nn2)c1,KGHPTCOPLSNOGQ-UHFFFAOYSA-N
-rxn:3:41072:17887:69959,CCCc1ccnc(-n2nccc2-c2cn(CC=Cc3c(F)cc(C(=O)N[C@H]4CC[C@]5(CCO5)CC4)cc3F)nn2)c1,OXHFDCMNNBFGLS-FESQKGCISA-N
-rxn:3:41076:17887:67342,CCCc1ccnc(-n2nccc2-c2cn(CC=Cc3cc(F)c(F)cc3C(=O)NCC3CC4(CCOC4)CO3)nn2)c1,VKTAXRYJXXKPGH-UHFFFAOYSA-N
-rxn:3:42567:13895:69106,CCCCC[C@H]1CC[C@@H](c2cn(CC#Cc3cnc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)nc3)nn2)CC1,KSNFEDJXVYVKME-LAFQJSODSA-N
-rxn:3:42567:14425:69106,CCCCC1CCC(c2cn(CC#Cc3cnc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)nc3)nn2)CC1,BXYJVPYUOADPOC-UHFFFAOYSA-N
-rxn:3:42567:3295:108806,CCn1cnc(-c2cn(CC#Cc3cnc(C(=O)NCC4CCC5(CCS(=O)(=O)CC5)O4)nc3)nn2)c1,NCPZAUYQIGUAOX-UHFFFAOYSA-N
-rxn:3:42679:13895:69106,CCCCC[C@H]1CC[C@@H](c2cn(CC#Cc3cncc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)c3)nn2)CC1,UWNARXFNWGQJHZ-BPCYRIMNSA-N
-rxn:3:42680:14425:69106,CCCCC1CCC(c2cn(CC#Cc3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)nc3)nn2)CC1,DWBFCBZEQCBGMO-UHFFFAOYSA-N
-rxn:3:42680:2259:70339,CCN1CCC(c2cn(CC#Cc3ccc(C(=O)N[C@@H]4CC[C@H](CS(=O)(=O)c5ccccc5)C4)nc3)nn2)CC1,AEOQWLYFTGYBCP-AZGAKELHSA-N
-rxn:3:42683:13895:69106,CCCCC[C@H]1CC[C@@H](c2cn(CC#Cc3cc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)ccn3)nn2)CC1,FBHSGHPOUNPLFQ-QBONCRILSA-N
-rxn:3:42683:16782:96700,Cc1c(-c2cn(CC#Cc3cc(C(=O)NC4CC5(C4)CC(F)(F)C5)ccn3)nn2)cnn1CCN(C)C,JYYXWUKDOKQPRD-UHFFFAOYSA-N
-rxn:3:42683:32592:119713,CN(C)c1cc(-c2cn(CC#Cc3cc(C(=O)NC4CCC5(CC4)OCC5(F)F)ccn3)nn2)ccn1,COODLMBKPCCPQO-UHFFFAOYSA-N
-rxn:3:42684:13895:69106,CCCCC[C@H]1CC[C@@H](c2cn(CC#Cc3cccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)n3)nn2)CC1,ZZYFIJAQKWZZHI-PFYMKENHSA-N
-rxn:3:42684:14425:69106,CCCCC1CCC(c2cn(CC#Cc3cccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)n3)nn2)CC1,YKCGBLRMJPZBIA-UHFFFAOYSA-N
-rxn:3:42685:13895:69106,CCCCC[C@H]1CC[C@@H](c2cn(CC#Cc3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)cn3)nn2)CC1,YFPFIXZAKYZVCX-QBONCRILSA-N
-rxn:3:42686:16848:133283,CN(C)CCn1ncc(-c2cn(CC#Cc3ncccc3C(=O)N[C@H]3CCCC3(F)F)nn2)c1C1CC1,LRJOWLDNQPZONI-QHCPKHFHSA-N
-rxn:3:42689:13895:69106,CCCCC[C@H]1CC[C@@H](c2cn(CC#Cc3cnccc3C(=O)NC3CCC(F)(F)c4cc(OC)ccc43)nn2)CC1,QBRZDTMEZJESRY-QBONCRILSA-N
-rxn:3:43040:13895:70057,CCCCC[C@H]1CC[C@@H](c2cn(CC#Cc3cnc(F)c(C(=O)N[C@H]4COc5cccc(OC)c5C4)c3)nn2)CC1,JKZDIASZCQCHQZ-PZUNEJSGSA-N
-rxn:3:43042:14425:70057,CCCCC1CCC(c2cn(CC#Cc3cc(C(=O)N[C@H]4COc5cccc(OC)c5C4)c(F)cn3)nn2)CC1,USEAQSHYGCTPFQ-UBVWURDFSA-N
-rxn:3:43042:16782:86559,Cc1c(-c2cn(CC#Cc3cc(C(=O)NC4C(F)(F)C45CC5)c(F)cn3)nn2)cnn1CCN(C)C,SYXMSZCXMQBAAC-UHFFFAOYSA-N
-rxn:3:43042:16848:69859,CN(C)CCn1ncc(-c2cn(CC#Cc3cc(C(=O)N[C@H]4CC[Se]C4)c(F)cn3)nn2)c1C1CC1,IKLWHEZRJYWSSS-IBGZPJMESA-N
-rxn:3:43042:2259:68412,CCN1CCC(c2cn(CC#Cc3cc(C(=O)N[C@@H]4CCOc5c(OC)cccc54)c(F)cn3)nn2)CC1,QQNLVGXODJMSPZ-XMMPIXPASA-N
-rxn:3:43044:13895:66849,CCCCC[C@H]1CC[C@@H](c2cn(CC#Cc3nccc(C(=O)NC4CC(F)c5ccccc54)c3F)nn2)CC1,IYZJLHZKEMVZGW-MLTLAOJRSA-N
-rxn:3:43044:13895:69182,CCCCC[C@H]1CC[C@@H](c2cn(CC#Cc3nccc(C(=O)NCc4cscc4OC)c3F)nn2)CC1,KGBIDIWCUWKSGE-OYRHEFFESA-N
-rxn:3:43044:14425:68900,CCCCC1CCC(c2cn(CC#Cc3nccc(C(=O)NC(CC)c4ccco4)c3F)nn2)CC1,NAQAOTPBCSQNRA-UHFFFAOYSA-N
-rxn:3:43044:16806:84646,CCc1c(-c2cn(CC#Cc3nccc(C(=O)N[C@H]4CCC[C@H](F)C4)c3F)nn2)cnn1CCN(C)C,PKIPAWOBKWNBOY-OALUTQOASA-N
-rxn:3:43044:2259:66203,CCN1CCC(c2cn(CC#Cc3nccc(C(=O)NC4CSc5cc(OC)ccc5C4)c3F)nn2)CC1,SRTZANQQNWRQAM-UHFFFAOYSA-N
-rxn:3:43509:15470:67806,CN(C)CCn1cc(-c2cn(Cc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)o3)nn2)c(C2CCC2)n1,PDHLVDYNKUPUEH-GOSISDBHSA-N
-rxn:3:43509:16806:130458,CCc1c(-c2cn(Cc3ccc(C(=O)NC4CC(F)(F)C45CCC5)o3)nn2)cnn1CCN(C)C,GTJJYMONSLZJNL-UHFFFAOYSA-N
-rxn:3:43509:16848:130458,CN(C)CCn1ncc(-c2cn(Cc3ccc(C(=O)NC4CC(F)(F)C45CCC5)o3)nn2)c1C1CC1,FPMXEYLYDNUKQO-UHFFFAOYSA-N
-rxn:3:43509:16848:83031,CN(C)CCn1ncc(-c2cn(Cc3ccc(C(=O)NC4C(F)(F)C45CCC5)o3)nn2)c1C1CC1,AGARYMVMTXJPRX-UHFFFAOYSA-N
-rxn:3:43509:16848:94773,CN(C)CCn1ncc(-c2cn(Cc3ccc(C(=O)N[C@H]4C[C@@]5(CCC5(F)F)C4)o3)nn2)c1C1CC1,JLMYGCJQVAQANQ-WVQHILGCSA-N
-rxn:3:43509:6404:125434,CCOC1(CNC(=O)c2ccc(Cn3cc(-c4cnc(N5CCCN(C)CC5)nc4)nn3)o2)CCS(=O)(=O)C1,PTSAFEUXWWHOHR-UHFFFAOYSA-N
-rxn:3:44414:3295:108806,CCn1cnc(-c2cn(CCC#Cc3cnc(C(=O)NCC4CCC5(CCS(=O)(=O)CC5)O4)nc3)nn2)c1,MBWJIRRKPMEQJR-UHFFFAOYSA-N
-rxn:3:44414:3295:86265,CCn1cnc(-c2cn(CCC#Cc3cnc(C(=O)NCC4(OC)CCCS(=O)(=O)C4)nc3)nn2)c1,PHBYQQPAZLJZDH-UHFFFAOYSA-N
-rxn:3:44512:23158:66021,CCN1CCC(c2cn(CCC#Cc3cncc(C(=O)NCC4(CS(C)(=O)=O)CCCC4)c3)nn2)C1,MSGMXANKJDJWTB-UHFFFAOYSA-N
-rxn:3:44718:17887:66436,CCCc1ccnc(-n2nccc2-c2cn(CCC#Cc3cc(F)ccc3C(=O)N[C@H]3CCCC[C@H](OC)C3)nn2)c1,XILRHZACNUTLBG-SVBPBHIXSA-N
-rxn:3:4:47746:105280,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5[C@@H]6CCCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)nn1,LIRHORVKFIOUBZ-UEEOCISISA-N
-rxn:3:4:47746:115977,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5C[C@@H]5C5CCCCC5)cn(C5CC5)c4c3F)nn2)nn1,WXGKZBKRFQKXPN-JPYJTQIMSA-N
-rxn:3:4:47746:74250,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC5CCC[C@@H]6CC[C@H]56)cn(C5CC5)c4c3F)nn2)nn1,YUTZZEAOHWATAA-XZFDIXFUSA-N
-rxn:3:4:47746:91267,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5C[C@H]5C5CCCCC5)cn(C5CC5)c4c3F)nn2)nn1,WXGKZBKRFQKXPN-FDDCHVKYSA-N
-rxn:3:4:47746:99917,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5C[C@@H]6CCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)nn1,XYYVFWMKDXTDNB-GIMINZRKSA-N
-rxn:3:44822:17887:66436,CCCc1ccnc(-n2nccc2-c2cn(CCC#Cc3cc(C(=O)N[C@H]4CCCC[C@H](OC)C4)c(F)cn3)nn2)c1,VKLNHZSWXPEQLF-DQEYMECFSA-N
-rxn:3:44822:2259:66203,CCN1CCC(c2cn(CCC#Cc3cc(C(=O)NC4CSc5cc(OC)ccc5C4)c(F)cn3)nn2)CC1,QALRVVYPMZTIDQ-UHFFFAOYSA-N
-rxn:3:44824:17887:66436,CCCc1ccnc(-n2nccc2-c2cn(CCC#Cc3nccc(C(=O)N[C@H]4CCCC[C@H](OC)C4)c3F)nn2)c1,KUCJRBUUZWCXOL-ZEQRLZLVSA-N
-rxn:3:44824:2259:66203,CCN1CCC(c2cn(CCC#Cc3nccc(C(=O)NC4CSc5cc(OC)ccc5C4)c3F)nn2)CC1,YGGGMLRALNDNAQ-UHFFFAOYSA-N
-rxn:3:46056:31939:67474,CCC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCCn3cc(-c4cc(N(C)C)ccn4)nn3)c1)CC2,VTMZOQFWQDQURH-UHFFFAOYSA-N
-rxn:3:46056:37896:67474,CCC1C(F)(F)C12CCC(NC(=O)c1ccnc(C=CCCn3cc(-c4ccc(N(C)C)cn4)nn3)c1)CC2,GPCPPPTWKRAACQ-UHFFFAOYSA-N
-rxn:3:46056:7196:113048,O=C(NCC1CCOC12CCS(=O)(=O)CC2)c1ccnc(C=CCCn2cc(-c3ccn4nccc4n3)nn2)c1,DOLXNRPNKYSCPF-UHFFFAOYSA-N
-rxn:3:46057:32592:119713,CN(C)c1cc(-c2cn(CCC=Cc3cccc(C(=O)NC4CCC5(CC4)OCC5(F)F)n3)nn2)ccn1,RHOAUSJAZKJWEZ-UHFFFAOYSA-N
-rxn:3:46342:11707:124034,C=CCn1cc(-c2cn(CCC=Cc3cc(C(=O)N[C@@H]4CCCC[C@H](OC)C4)c(F)cn3)nn2)cn1,WJABUUMPNJOAOQ-YADHBBJMSA-N
-rxn:3:46343:6450:124034,C=C(C)Cn1cc(-c2cn(CCC=Cc3nccc(C(=O)N[C@@H]4CCCC[C@H](OC)C4)c3F)nn2)cn1,WXGZENZPRNFCFB-YADHBBJMSA-N
-rxn:3:46430:17887:67866,CCCc1ccnc(-n2nccc2-c2cn(CCC=Cc3c(F)cc(C(=O)N[C@@H]4CC45CCCCC5)cc3F)nn2)c1,NXTSYOYGSZSOGY-GDLZYMKVSA-N
-rxn:3:47746:31939:132752,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CC[C@H]6CCC[C@H]65)cn(C5CC5)c4c3F)nn2)c1,LSCODQLLDMIWBB-ZDWFVDTJSA-N
-rxn:3:47746:31939:99917,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5C[C@@H]6CCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)c1,PETKEVDJTFSKDZ-BTCOZLQPSA-N
-rxn:3:47746:4:105280,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5[C@@H]6CCCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)nn1,LIRHORVKFIOUBZ-UEEOCISISA-N
-rxn:3:47746:4:115977,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5C[C@@H]5C5CCCCC5)cn(C5CC5)c4c3F)nn2)nn1,WXGKZBKRFQKXPN-JPYJTQIMSA-N
-rxn:3:47746:4:99917,CN(C)c1ccc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5C[C@@H]6CCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)nn1,XYYVFWMKDXTDNB-GIMINZRKSA-N
-rxn:3:47746:6383:105280,CN(C)c1cc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5[C@@H]6CCCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)ncn1,HXJMKTZRXGNYOT-UEEOCISISA-N
-rxn:3:47746:6383:127275,CN(C)c1cc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC[C@@H]5C[C@H]5C5CCCCC5)cn(C5CC5)c4c3F)nn2)ncn1,UYIPKIRABGNTOZ-ICSRJNTNSA-N
-rxn:3:47746:6383:81805,CN(C)c1cc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5CC[C@@H]6CCC[C@@H]65)cn(C5CC5)c4c3F)nn2)ncn1,JMOJZFMLZVSIIL-WJPUGNRLSA-N
-rxn:3:49127:7196:108806,CCOC(Cn1cc(-c2ccn3nccc3n2)nn1)C(=O)NCC1CCC2(CCS(=O)(=O)CC2)O1,JFIKEYCYDCURHO-UHFFFAOYSA-N
-rxn:3:49156:17887:66748,CCCc1ccnc(-n2nccc2-c2cn(C(COC)C(=O)NCC3CCSC34CC(C)S(=O)(=O)C4)nn2)c1,RMHPOVUUNRCZLC-UHFFFAOYSA-N
-rxn:3:49499:6445:112703,CCOC1(CNC(=O)[C@H]2C[C@H](Cn3cc(-c4cnn(-c5cnccn5)c4)nn3)C2)CCS(=O)(=O)CC1,LMZHLIYKBZBKQS-IYARVYRRSA-N
-rxn:3:49517:17887:69020,CCCc1ccnc(-n2nccc2-c2cn(-c3ccccc3C3C(C(=O)N[C@H]4COC5(CCOCC5)[C@@H]4OC)C3(F)F)nn2)c1,FAOIUDWCFJPRNP-NZWAZWEPSA-N
-rxn:3:50032:2259:69921,CCN1CCC(c2cn(CC3C(c4scnc4C(=O)NC4CCCc5c4ccc(OC)c5OC)C3(F)F)nn2)CC1,OOQBZPJWOSLQCO-UHFFFAOYSA-N
-rxn:3:50319:2259:69795,CCN1CCC(c2cn(CC3C(c4cnc(C(=O)N[C@H]5C[C@H](c6ccc(OC)cc6)C5)nc4)C3(F)F)nn2)CC1,IJVYHBBREPCYNX-RDNDSBJTSA-N
-rxn:3:50432:17887:69020,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cccnc4C(=O)N[C@H]4COC5(CCOCC5)[C@@H]4OC)C3(F)F)nn2)c1,NDSSESNFEPLDJR-GBGUNEDVSA-N
-rxn:3:50437:17887:69020,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ncccc4C(=O)N[C@H]4COC5(CCOCC5)[C@@H]4OC)C3(F)F)nn2)c1,WZXQLUFYFWNOQX-GBGUNEDVSA-N
-rxn:3:50440:17887:69020,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cnccc4C(=O)N[C@H]4COC5(CCOCC5)[C@@H]4OC)C3(F)F)nn2)c1,JXWOWKQQOXVCPF-CXAMSWOKSA-N
-rxn:3:51042:17887:67328,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(OC)c(C(=O)N[C@@]56COC[C@@H]5C6)c4)C3(F)F)nn2)c1,PHORXDPUDQHPFU-QONVLRDNSA-N
-rxn:3:51049:17887:66929,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(C(=O)N[C@H]5CC56CCOCC6)cc4OC)C3(F)F)nn2)c1,VGMQNXGJXJJXOC-KXLLNGJYSA-N
-rxn:3:51050:17887:67590,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cc(C(=O)N[C@@H]5CC56CCOCC6)ccc4OC)C3(F)F)nn2)c1,DNGRYCUKHZWDJW-IPEXIJNSSA-N
-rxn:3:51051:17887:67869,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cccc(C(=O)NC5COC6(COC6)C5)c4OC)C3(F)F)nn2)c1,PDCUTXHXFXLGAH-UHFFFAOYSA-N
-rxn:3:51059:17887:67328,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cc(OC)cc(C(=O)N[C@@]56COC[C@@H]5C6)c4)C3(F)F)nn2)c1,MLNHRXATHHDDNN-KCMMYVFGSA-N
-rxn:3:51059:17887:69330,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cc(OC)cc(C(=O)N[C@@H]5CCOC6(CCC6)C5)c4)C3(F)F)nn2)c1,FMCUDOUBJZUDMO-ZNIPOOQYSA-N
-rxn:3:51060:17887:67328,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(C(=O)N[C@@]56COC[C@@H]5C6)c(OC)c4)C3(F)F)nn2)c1,OHXBRNPXOKCOLI-QONVLRDNSA-N
-rxn:3:51062:17887:69959,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4cc(OC)ccc4C(=O)N[C@H]4CC[C@]5(CCO5)CC4)C3(F)F)nn2)c1,NFZYBALCDGDTRB-AZUCUFKOSA-N
-rxn:3:51063:17887:66929,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(OC)cc4C(=O)N[C@H]4CC45CCOCC5)C3(F)F)nn2)c1,ADIHDJPTEYAUNO-CIARAPGSSA-N
-rxn:3:51063:17887:68017,CCCc1ccnc(-n2nccc2-c2cn(CC3C(c4ccc(OC)cc4C(=O)N[C@H]4C[C@]5(CCCO5)C4)C3(F)F)nn2)c1,JDUNALCAQCBJDP-AAJJLCFHSA-N
-rxn:3:51307:2850:131978,CN(C)c1ncccc1-c1cn(CC2C(c3ccc4[nH]nc(C(=O)N[C@H]5CC56CCCCC6)c4c3)C2(F)F)nn1,UXJNSIMGHOBGCO-GWHCDVRWSA-N
-rxn:3:51307:2850:72341,CN(C)c1ncccc1-c1cn(CC2C(c3ccc4[nH]nc(C(=O)N[C@@H]5CCCC6(CC6)C5)c4c3)C2(F)F)nn1,QGTQLPFAYBNPKI-ZGYBWILLSA-N
-rxn:3:52483:6504:108008,C=Cc1cnn(Cc2cn(CCC3CC3c3cncc(C(=O)N[C@@H]4CC[C@@H](OC)C[C@@H]4F)c3)nn2)c1,KQMFHTGHIFGIFP-VVNAHJFBSA-N
-rxn:3:52722:17887:68017,CCCc1ccnc(-n2nccc2-c2cn(CCC3CC3c3ccc(C(=O)N[C@H]4C[C@]5(CCCO5)C4)c(F)c3)nn2)c1,FVRXAYUEYTZBLC-PMDUMWHXSA-N
-rxn:3:52848:17887:67866,CCCc1ccnc(-n2nccc2-c2cn(CCC3CC3c3cc(C(=O)N[C@@H]4CC45CCCCC5)c(F)cn3)nn2)c1,PZANRUADGIPZIE-RZRYPWFSSA-N
-rxn:3:52848:17887:68017,CCCc1ccnc(-n2nccc2-c2cn(CCC3CC3c3cc(C(=O)N[C@H]4C[C@]5(CCCO5)C4)c(F)cn3)nn2)c1,ADFUDKFKSRKDKW-WCSFRKAXSA-N
-rxn:3:52848:28575:66436,CCc1cccnc1-c1cn(CCC2CC2c2cc(C(=O)N[C@H]3CCCC[C@H](OC)C3)c(F)cn2)nn1,BQOGWKLQQYDXFC-INAZGPRKSA-N
-rxn:3:52963:17887:66066,CCCc1ccnc(-n2nccc2-c2cn(CCC3CC3c3c(F)cc(C(=O)N[C@@H]4CC45CCCC5)cc3F)nn2)c1,WANFHCPRNRMKFS-TZKIBNSLSA-N
-rxn:3:52963:17887:67866,CCCc1ccnc(-n2nccc2-c2cn(CCC3CC3c3c(F)cc(C(=O)N[C@@H]4CC45CCCCC5)cc3F)nn2)c1,BXPKUIWXRJNOBF-IPLQWOKBSA-N
-rxn:3:54100:2259:69795,CCN1CCC(c2cn(CCC3C(c4cnc(C(=O)N[C@H]5C[C@H](c6ccc(OC)cc6)C5)nc4)C3(F)F)nn2)CC1,TUVSQPMAJBPOIM-BLEWTQTASA-N
-rxn:3:54100:2259:70057,CCN1CCC(c2cn(CCC3C(c4cnc(C(=O)N[C@H]5COc6cccc(OC)c6C5)nc4)C3(F)F)nn2)CC1,PUOFYWSLAFALKL-VSZORKFZSA-N
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-rxn:3:56472:17887:66039,CCCc1ccnc(-n2nccc2-c2cn(CC3CC3c3cc(C(=O)NCC4CC5(CCCC5)C4)c(F)cc3F)nn2)c1,LVYYLDZFXSCUIT-UHFFFAOYSA-N
-rxn:3:56472:17887:67866,CCCc1ccnc(-n2nccc2-c2cn(CC3CC3c3cc(C(=O)N[C@@H]4CC45CCCCC5)c(F)cc3F)nn2)c1,HWEVVDRWDLDECS-UQIPPQJZSA-N
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-rxn:3:57885:37896:67474,CCC1C(F)(F)C12CCC(NC(=O)c1ccnc(CCCn3cc(-c4ccc(N(C)C)cn4)nn3)c1)CC2,DKXTZOSYFOXVEB-UHFFFAOYSA-N
-rxn:3:57887:16782:96700,Cc1c(-c2cn(CCCc3ccc(C(=O)NC4CC5(C4)CC(F)(F)C5)cn3)nn2)cnn1CCN(C)C,CNHKBXDDCRZJKG-UHFFFAOYSA-N
-rxn:3:57887:32592:123002,CN(C)c1cc(-c2cn(CCCc3ccc(C(=O)NC4CC5(C4)C(F)(F)C54CCC4)cn3)nn2)ccn1,VATWOCIYJDKTIV-UHFFFAOYSA-N
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-rxn:3:58230:5564:108806,Cn1ncc2c(-c3cn(CCCc4nccc(C(=O)NCC5CCC6(CCS(=O)(=O)CC6)O5)c4F)nn3)ncnc21,PGVJUUVWRKFMFF-UHFFFAOYSA-N
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-rxn:3:59842:6629:125434,CCOC1(CNC(=O)[C@H]2CC=C[C@H](n3cc(Cn4ccn5nc(-c6cnccn6)cc45)nn3)C2)CCS(=O)(=O)C1,JUVNZPICJGVKGB-GOADRSPRSA-N
-rxn:3:59852:1881:132400,CS(=O)(=O)CNC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnc5scnc5c4)nn3)C2)CCO1,PWHCRCIBANKOQC-YVEJMYDXSA-N
-rxn:3:59852:3694:81931,O=C(NCc1ccc(S(=O)(=O)F)s1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(C5CC5)c4)nn3)C2)CCO1,NLUBVEMPKWCRAX-MGMFDXOMSA-N
-rxn:3:59852:38306:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccnc4F)nn3)C2)CCO1,OONSEKDDZHTBCZ-DVLOMUPFSA-N
-rxn:3:59852:6392:125434,CCOC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5nccn6nccc56)nn4)C3)CCO2)CCS(=O)(=O)C1,BHJUBAAFEQZTNX-JMFKVGEDSA-N
-rxn:3:59852:6392:99561,CCOC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5nccn6nccc56)nn4)C3)CCO2)CS(=O)(=O)C1,HFMMVUMHGKOXKT-IERKJGKXSA-N
-rxn:3:59852:6443:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(-c5ncccn5)c4)nn3)C2)CCO1,UKJZFXIWOISNKH-GXIDFNPISA-N
-rxn:3:59852:6445:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(-c5cnccn5)c4)nn3)C2)CCO1,IMLPWHASVKTMLY-GXIDFNPISA-N
-rxn:3:59852:6445:81931,O=C(NCc1ccc(S(=O)(=O)F)s1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(-c5cnccn5)c4)nn3)C2)CCO1,QTZSYYMYCIQUFI-ZSQVXAAVSA-N
-rxn:3:59852:6446:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(-c5ccccn5)c4)nn3)C2)CCO1,CLKOOIDGNUTDTG-GRIOEYINSA-N
-rxn:3:59852:6644:117699,O=C(NCCCCS(=O)(=O)F)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(Cn4ccn5nccc45)nn3)C2)CCO1,GDLYPAQCFLLADB-SAMMEDMISA-N
-rxn:3:59852:6644:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(Cn4ccn5nccc45)nn3)C2)CCO1,CLGXLLMGWQHBQW-YMAISKEGSA-N
-rxn:3:59852:6644:84946,O=C(NCc1ccc(OS(=O)(=O)F)cc1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(Cn4ccn5nccc45)nn3)C2)CCO1,PCJQJXYNQMSPSD-FKHRANHKSA-N
-rxn:3:59852:6644:99561,CCOC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(Cn5ccn6nccc56)nn4)C3)CCO2)CS(=O)(=O)C1,NZJGZJDDTIBSLP-ZJBPFHOOSA-N
-rxn:3:59897:13895:69106,CCCCC[C@H]1CC[C@@H](c2cn(Cc3cccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)n3)nn2)CC1,NEHKRPHWMSQTDL-RRZWQVKKSA-N
-rxn:3:59958:17879:70683,COCc1cc(OS(=O)(=O)F)ccc1NC(=O)[C@@H]1CCC[C@@H](n2cc(-c3nccn3C3CCSC3)nn2)C1,OEKCOYMMIFLRSE-SYUDBMKNSA-N
-rxn:3:59958:6629:112703,CCOC1(CNC(=O)[C@@H]2CCC[C@@H](n3cc(Cn4ccn5nc(-c6cnccn6)cc45)nn3)C2)CCS(=O)(=O)CC1,MCOOXKUNUMQCTK-IFMALSPDSA-N
-rxn:3:59958:6629:125434,CCOC1(CNC(=O)[C@@H]2CCC[C@@H](n3cc(Cn4ccn5nc(-c6cnccn6)cc45)nn3)C2)CCS(=O)(=O)C1,YCMOTPOXIDEAFR-FOSBBQIRSA-N
-rxn:3:60078:23732:85579,CCOC1(CNC(=O)c2cc3n(CCn4cc([C@H]5C[C@@H](n6ccnn6)C5)nn4)ccn3n2)CCCS(=O)(=O)C1,CPUJYOMNLUOJSA-QRQCMCJISA-N
-rxn:3:6123:59842:84946,Cn1ncc(-c2cn([C@H]3C=CC[C@H](C(=O)NCc4ccc(OS(=O)(=O)F)cc4)C3)nn2)c1C1CCCCC1,QUXCCDCTEAHNJQ-SFTDATJTSA-N
-rxn:3:62819:13895:69106,CCCCC[C@H]1CC[C@@H](c2cn(Cc3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)cn3)nn2)CC1,VNSBTNSRPXBNRC-UXCHGGSFSA-N
-rxn:3:6382:47746:141845,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)NC[C@H]5[C@@H]6CCCC[C@@H]65)cn(C5CC5)c4c3F)nn2)n1,GZDAEUVBLWRPBQ-DZFIZOCASA-N
-rxn:3:6382:47746:75917,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CCCCC5(C)C)cn(C5CC5)c4c3F)nn2)n1,LQRANKZQHUSCRT-OAQYLSRUSA-N
-rxn:3:6382:47746:81805,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5CC[C@@H]6CCC[C@@H]65)cn(C5CC5)c4c3F)nn2)n1,RHGFRBHTRTVAAE-WJPUGNRLSA-N
-rxn:3:6382:51307:67866,CN(C)c1ccnc(-c2cn(CC3C(c4ccc5[nH]nc(C(=O)N[C@@H]6CC67CCCCC7)c5c4)C3(F)F)nn2)n1,IFOXCYRRNNTTHS-JRSYVHTFSA-N
-rxn:3:6383:54804:66066,CN(C)c1cc(-c2cn(CCC3C(c4ccc5[nH]nc(C(=O)N[C@@H]6CC67CCCC7)c5c4)C3(F)F)nn2)ncn1,SNBXPSLQTOECIG-NBTXJNEHSA-N
-rxn:3:6383:54804:67866,CN(C)c1cc(-c2cn(CCC3C(c4ccc5[nH]nc(C(=O)N[C@@H]6CC67CCCCC7)c5c4)C3(F)F)nn2)ncn1,ZZXCYBRAZXCXJZ-UXVFNKRRSA-N
-rxn:3:6383:54804:92583,CN(C)c1cc(-c2cn(CCC3C(c4ccc5[nH]nc(C(=O)N[C@H]6CCCC7(CC7)C6)c5c4)C3(F)F)nn2)ncn1,RIWCSEDRTICUOV-ISKPRUBYSA-N
-rxn:3:6396:58226:121390,CO[C@H]1CC(NC(=O)c2cc(CCCn3cc(-c4cnc(N5CCCC5)nc4)nn3)cnc2F)C[C@@H]1OC,ZJTTWGIZCCBTSF-GOTSBHOMSA-N
-rxn:3:6402:53780:128082,O=C(NCC1CS(=O)(=O)C1)c1ncccc1OCCn1cc(-c2cnc(N3CCCCCC3)nc2)nn1,UGNCVAFBBFQRLU-UHFFFAOYSA-N
-rxn:3:6404:59842:103600,CCOS(=O)(=O)c1cccc(NC(=O)[C@H]2CC=C[C@H](n3cc(-c4cnc(N5CCCN(C)CC5)nc4)nn3)C2)c1,DCCFCSMZEHQJPD-REWPJTCUSA-N
-rxn:3:6450:40441:108806,C=C(C)Cn1cc(-c2cn(CC=Cc3cnc(C(=O)NCC4CCC5(CCS(=O)(=O)CC5)O4)nc3)nn2)cn1,WWDJEUNMJFUQRX-UHFFFAOYSA-N
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-rxn:2:107835:148020,Cc1cc(S(C)(=O)=O)ccc1-c1cccnc1C(C)NC1CCCCC1N1CCN(C)CC1,CCEPTSHPHQMLHR-UHFFFAOYSA-N
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-rxn:2:108579:153696,CCCC(NCC(F)(F)CN1CCSCC(C)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,WDBMLCIJWFXZRR-UHFFFAOYSA-N
-rxn:2:109100:114309,CN1CCN(CC(NCC2C(F)(F)C23CCCC3)c2cccn2C)CC1,GVEWXMNLTICBFI-UHFFFAOYSA-N
-rxn:2:109152:105940,CN(C)CCN1CCC(NCC2CC(F)(F)C23CCC3)C(C)(C)C1,KYMDZJKWYGABOI-UHFFFAOYSA-N
-rxn:2:109246:136423,CCC(NC(C)C(N(C)C1CCCCC1C)C(C)(C)C)C1(F)CC1,IHUJKQPDONIPQB-UHFFFAOYSA-N
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-rxn:2:109582:154391,COC1(C(F)(F)CNC(C)CCCCn2c(=O)c3nc[nH]c3n(C)c2=O)CCC1,HMTQNDRMILIJKJ-UHFFFAOYSA-N
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-rxn:2:110662:151416,CC1COCCN1CCc1ccccc1NC1CCC(Cc2ccc(S(C)(=O)=O)cc2)CC1,QPLDAFJYDULZST-UHFFFAOYSA-N
-rxn:2:110967:147539,CCC(C)N1CCN(C(C)C(C)NC(C)c2ccc(OC)c(-c3n[nH]c(=O)c4ncccc34)c2)CC1,RGSDMBGYEIITHE-UHFFFAOYSA-N
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-rxn:2:111610:75784,CCN1CCC(NC2(COS(=O)(=O)[O-])CCCC2)CC1c1ccc(OC)cc1OC,QDCQVTTYBNIYEI-UHFFFAOYSA-M
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-rxn:2:113156:152707,COc1ccc(C(C)NCCN2CCC(N(C)C3CC3)CC2)cc1-c1cc(=O)[nH]c(=O)[nH]1,CUAOVMLDWYDVAQ-UHFFFAOYSA-N
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-rxn:2:113712:147883,COc1cc(C)c(C2C(CCNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)cn1,XNPNXDCZSDQFQN-UHFFFAOYSA-N
-rxn:2:113886:147883,CO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@@H]1NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,QKAZORBHIHWBDK-RMSVRTADSA-N
-rxn:2:114337:160431,COc1ccc(OC)c(C2CC(NC3CCCCCC3OS(=O)(=O)c3ccc(C)cc3)C2)c1,FQAKBIBLNQSJTB-UHFFFAOYSA-N
-rxn:2:114337:164678,COc1ccc(OC)c(C2CC(NC3CCC(OS(=O)(=O)c4ccc(C)cc4)CC3)C2)c1,AEJXTOBTYRUHGT-UHFFFAOYSA-N
-rxn:2:114337:164704,COc1ccc(OC)c(C2CC(NC3CCCCC3OS(=O)(=O)c3ccc(C)cc3)C2)c1,NYJVNHYBNYJBPJ-UHFFFAOYSA-N
-rxn:2:114374:146538,COc1ccc(C(NC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,RMKOZRBFPXUTJN-ZLTNKZLJSA-N
-rxn:2:114374:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1,RWIBGCKLFVTDDR-BEEDKBRMSA-N
-rxn:2:114374:164666,Cc1cc(C(C)NC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)c2nc(N3CCOCC3)cc(=O)n2c1,LNWDLYOGWJRJDX-YPJRHXLCSA-N
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-rxn:2:115807:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1cccnc1N1CCC(C(C)(F)F)CC1,XTYJXIJJCZPSBP-UHFFFAOYSA-N
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-rxn:2:116573:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCN1C[C@H](F)[C@@H](F)C1,BFIOQANJARSYGO-XZNKJRRYSA-N
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-rxn:2:117259:144085,CCN1CCc2c(cc(C(C)NCC3(N(C)Cc4ncccn4)CCCC(C)C3)c(=O)n2C2CC2)C1,KXBIBMQRVOQKNG-UHFFFAOYSA-N
-rxn:2:117349:147883,COc1ccc(C2C(CCNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)cn1,MUWBPEITRVKODX-UHFFFAOYSA-N
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-rxn:2:117893:161224,CCC(NC(c1c[nH]c(C(=O)/N=C/N(C)C)c1)c1ccccc1C)c1cnc(N2CCN(C)CC2)cc1C,JEDSDPSGOKEYAP-FMFFXOCNSA-N
-rxn:2:117893:161879,CCC(NC(c1c[nH]c(C(=O)N=CN(C)C)c1)c1ccccc1C)c1cnc(N2CCN(C)CC2)cc1C,JEDSDPSGOKEYAP-UHFFFAOYSA-N
-rxn:2:118023:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NCc1nn(CC2CC2(F)F)c2c1C(C)CC2,PRBWWJBJCVMZHF-UHFFFAOYSA-N
-rxn:2:118453:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1ccc(CO[Si](C)(C)C(C)(C)C)cn1,PYHICOMTLOZKGG-UHFFFAOYSA-N
-rxn:2:118776:145413,CC(NCC1(CN(C)C2CCS(=O)(=O)C2)COC1)c1cccc(-c2ccc(N3CCN(C)CC3)nc2)n1,BIBXYMIYJBGXQP-UHFFFAOYSA-N
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-rxn:2:119336:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCC2N2CCOC(C)C2)cn1,QBXPLLWHLILEKT-UHFFFAOYSA-N
-rxn:2:119704:153696,CCCC(N[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,FYVHCNHYKPPNNN-QCHSIUOGSA-N
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-rxn:2:121441:144085,CCN1CCc2c(cc(C(C)Nc3cn(C)nc3S(=O)(=O)C3COC3)c(=O)n2C2CC2)C1,WZEIDUUHRNDQIB-UHFFFAOYSA-N
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-rxn:2:122195:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)N[C@@H](c1ccccc1OC)C(C)CC,HBKQVWDGOIEWJJ-QJDQLVHXSA-N
-rxn:2:122762:158106,CCCCCC(Nc1cnn(C2CC3(C2)CC(F)(F)C3)c1)c1cn(C)c(=O)n(C)c1=O,CONDEJGTQSKEKM-UHFFFAOYSA-N
-rxn:2:123363:143495,CC(NC(C)(C)CC(F)(F)C1CCCN(C)C1)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cn1,GQPDAGANRMZQCD-UHFFFAOYSA-N
-rxn:2:123439:147883,CCC(C)(C)C(CNC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C)OC,CCOJYLPZUZSKIY-UHFFFAOYSA-N
-rxn:2:123778:154391,COCC1(NC(C)CCCCn2c(=O)c3nc[nH]c3n(C)c2=O)CCC(F)(F)CC1,XSOSUYDULQRDFF-UHFFFAOYSA-N
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-rxn:2:126274:144085,CCN1CCc2c(cc(C(C)N[C@@H](Cn3nc(C4CC4)ccc3=O)C(C)C)c(=O)n2C2CC2)C1,VPVOOHNLRCSFHT-LUTIACGYSA-N
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-rxn:2:126945:166857,Cc1ccc(C(CSc2n[nH]c(=O)[nH]c2=O)NC2CC3CCCC(C2)N3C2CCCCCC2)cc1,MISYHYVQVPSXTO-UHFFFAOYSA-N
-rxn:2:127064:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NC(C)(C)CCC1CC1(F)F,PENDZKRAXBSFSS-UHFFFAOYSA-N
-rxn:2:127069:153696,CCCC(NC(C)(C)CCN1CCN(CC)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,GUOIHDGROPOSCA-UHFFFAOYSA-N
-rxn:2:128171:67548,CC(C)c1nc(CCN(C)C)sc1C(C)NCC1(N(C)C)CCN(C)CC1,UYSOKQLWZLRINR-UHFFFAOYSA-N
-rxn:2:128682:143973,O=c1[nH]n(C23CC4CC(CC(C4)C2)C3)cc1CNC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,FHWLRCCLQWYNMB-UHFFFAOYSA-N
-rxn:2:128840:91308,CCC(Nc1c(C)c(C)nn1CCCN(C)C)C1CCC(F)(F)CC1,KUFVEJGVUBKUDS-UHFFFAOYSA-N
-rxn:2:129449:146079,COC1CCN(CCC(NC(C)c2ccccc2-c2c(C)[nH]c(=O)[nH]c2=O)C(C)(C)C)CC1,JTFNRFISNYGYSK-UHFFFAOYSA-N
-rxn:2:130629:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCC#Cc1ccsc1CN1CCCCC1C,FZPCZDVLXRREFD-UHFFFAOYSA-N
-rxn:2:130791:156195,CC(NC1CCC(N2CCCC(CN(C)C)C2)C1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,BRHXYSMVIOAQRH-UHFFFAOYSA-N
-rxn:2:130944:167576,CN1CCC(N(C)C2CCCC2NC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)CC1,LCXJZHVVTPFIOQ-UHFFFAOYSA-N
-rxn:2:131256:147883,COCC1(F)CC(CNC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)C1,GFFDOCCBWXPJRS-UHFFFAOYSA-N
-rxn:2:131811:136425,Cc1nc(N2CCN(C)CC2)sc1C(C)Nc1cccc(N2CCC(N(C)C)CC2)c1,NELIFSYPRLPEFH-UHFFFAOYSA-N
-rxn:2:131853:166041,COc1ccc2c(c1)C(NC1CCC(COS(=O)(=O)c3ccc(C)cc3)CC1)CCCS2,AJKCTRJEEKXAHN-UHFFFAOYSA-N
-rxn:2:132243:123273,CC(C)OCCC(NCc1ccnc(N2CCC(N(C)C)CC2)c1)C(C)C,NSGLDILNAYNCBS-UHFFFAOYSA-N
-rxn:2:132243:139721,CC(C)CCC(NCc1ccnc(N2CCC(N(C)C)CC2)c1)C(C)C,WDZBWLGCXBUQMX-UHFFFAOYSA-N
-rxn:2:132682:163337,CCOc1ccccc1-c1cc(C(C)NC(C)(C)CN2CCC(N(C)C)CC2)c(=O)[nH]n1,RLBKFBAMEAIOLA-UHFFFAOYSA-N
-rxn:2:132703:147883,CCc1c(C2CC2)nn(CC2CC2(F)F)c1NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,BFWWCILESSVKMP-UHFFFAOYSA-N
-rxn:2:132820:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1(C(C)(F)F)CC1,IFRCQFNUXQECSO-UHFFFAOYSA-N
-rxn:2:133140:144085,CCN1CCc2c(cc(C(C)NCC(F)(F)CN3CCOCC3(C)C)c(=O)n2C2CC2)C1,CYBIVEJPSOFUPG-UHFFFAOYSA-N
-rxn:2:133140:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN1CCOCC1(C)C,XNTSYVFPZLMHIU-UHFFFAOYSA-N
-rxn:2:133292:156195,CC(NCC1CCC(N2CCN(C)CC2)CC1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)s1,JUULGKIRNLOYMT-UHFFFAOYSA-N
-rxn:2:134196:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1C(c2cccc(N(C)C)c2)C1(F)F,LXKQIFKESQZNRE-UHFFFAOYSA-N
-rxn:2:134366:147539,CCN1CCC(CNC(C)c2ccc(OC)c(-c3n[nH]c(=O)c4ncccc34)c2)(N2CCC(C)C2)CC1,ZCODQUYRSCTQBS-UHFFFAOYSA-N
-rxn:2:134420:147883,COc1ccc(C2(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)CCC(F)(F)CC2)cc1,XACITNWIGQCNGW-UHFFFAOYSA-N
-rxn:2:135079:143151,CC(NC1CC2CCC(C1)N2C1CCOCC1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,UNCQAXYAKJCMNX-UHFFFAOYSA-N
-rxn:2:135079:149364,CC(NC1CC2CCC(C1)N2C1CCOCC1)c1ccc(S(=O)(=O)c2ccccc2)s1,XWEKPUDOIMFQOD-UHFFFAOYSA-N
-rxn:2:135337:124533,COCC1C(F)(F)C12CCC(Nc1c(C(C)C)c(C)nn1CCN(C)C)CC2,AIMYHEYLJCUHDS-UHFFFAOYSA-N
-rxn:2:136056:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN1CCCC1(C)C,FLOGRCOWQUPHQR-UHFFFAOYSA-N
-rxn:2:136580:165217,CS(=O)(=O)n1cc(-c2cccc3c2C(NCCCN2CCC(N4CCSCC4)CC2)CO3)cn1,JFVWKCNTGYVENJ-UHFFFAOYSA-N
-rxn:2:137179:153696,CCCC(NC(C)(C)CCCN1CCN(C)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,JMKTWMIPMOCVKC-UHFFFAOYSA-N
-rxn:2:137448:114309,CC(C)C(N(C)C)C1(CNC(CN2CCN(C)CC2)c2cccn2C)CC1,DVGBRGLOJCVKEG-UHFFFAOYSA-N
-rxn:2:137448:81090,CC(NCC1(C(C(C)C)N(C)C)CC1)c1ccc(N2CCN(C)CC2)s1,KSRJZTLXTOYMAP-UHFFFAOYSA-N
-rxn:2:137448:87172,CC(C)C(N(C)C)C1(CNC(CN(C)C2CCN(C)CC2)c2cccn2C)CC1,BQCBCPQPFPNUPL-UHFFFAOYSA-N
-rxn:2:137907:71125,CCn1ncc(C#CCO[Si](C)(C)C)c1C(C)NC1CCCN(c2ncc[nH]c2=O)C1,DPMMKNGRJKQTDK-UHFFFAOYSA-N
-rxn:2:138182:139721,CC(C)CCC(Nc1nc(CN2CCC(N(C)C)CC2)cs1)C(C)C,NSYBRLSYQZJNPC-UHFFFAOYSA-N
-rxn:2:138716:146538,COc1ccc(C(NC(C)(C)CN2CCN(c3ncccn3)CC2)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,HBQXIOQTOMLLJD-UHFFFAOYSA-N
-rxn:2:138854:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NCc1c2c(nn1CC1CC1(F)F)CCC2C,UVSVYVNWETYPRG-UHFFFAOYSA-N
-rxn:2:139174:163337,CCOc1ccccc1-c1cc(C(C)NCC2CCN(CCOC)CC2(C)C)c(=O)[nH]n1,GQYDWWVDGDZLGD-UHFFFAOYSA-N
-rxn:2:139974:152707,CCC(COC1CC(C)CC(C)(C)C1)NC(C)c1ccc(OC)c(-c2cc(=O)[nH]c(=O)[nH]2)c1,DTMGCQOQZUBFGO-UHFFFAOYSA-N
-rxn:2:140012:117066,COC1CCOC2(CCN(CCCNC(C)c3ccc(OS(=O)(=O)[O-])cc3)C2)C1,CVPIHOVRCVRGHF-UHFFFAOYSA-M
-rxn:2:140186:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC(F)(F)C1CCCN(C)C1,ILPMNUQNCMPSAY-UHFFFAOYSA-N
-rxn:2:140359:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCC(F)(F)CN1CCSC(C)C1C,IIUUQPJZHRXNON-UHFFFAOYSA-N
-rxn:2:140359:144085,CCN1CCc2c(cc(C(C)NCC(F)(F)CN3CCSC(C)C3C)c(=O)n2C2CC2)C1,KGANVXFZYJFDPA-UHFFFAOYSA-N
-rxn:2:140985:144936,COc1ccc(C(NCC2CC3(CCC(F)(F)CC3)CO2)c2cnc(/N=C/N(C)C)s2)cc1,OPIHEBDQIRRVRU-MUFRIFMGSA-N
-rxn:2:140985:151346,COc1ccc(C(NCC2CC3(CCC(F)(F)CC3)CO2)c2cnc(N=CN(C)C)s2)cc1,OPIHEBDQIRRVRU-UHFFFAOYSA-N
-rxn:2:141552:139721,CC(C)CCC(Nc1cncnc1OC1CCC(N(C)C)CC1)C(C)C,QROXDBCEZUJNLZ-UHFFFAOYSA-N
-rxn:2:141598:168480,COc1ccc(CCC(Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)C2CCCCC2)cc1,IBCLZIKPHIUNFZ-UHFFFAOYSA-N
-rxn:2:141643:147830,Cc1cc(NC2CC(C)(C)Cc3c2cnc2c3c(=O)n(C)c(=O)n2C)n(C2CCC(F)(F)CC2)n1,CHMQBXWXOZKDNI-UHFFFAOYSA-N
-rxn:2:142169:154985,CC(C)C(CCN1CCCN(C)CC1)NC(c1ccc(-c2ccc(=O)[nH]n2)cc1)C(C)C,GGGSEMUCTJDSLU-UHFFFAOYSA-N
-rxn:2:148103:159568,COc1ccc(-c2cnn(S(C)(=O)=O)c2)c(C(C)Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2)c1,DDQLVAULHUBPLR-UHFFFAOYSA-N
-rxn:2:148797:125639,CC(C)c1cccc(-n2[nH]c(=O)cc2NC2CCC(C)(O[Si](C)(C)C(C)(C)C)CC2)n1,VUSDUTDIJAVAHK-UHFFFAOYSA-N
-rxn:2:148797:136787,CC(C)c1cccc(-n2[nH]c(=O)cc2NCC(O[Si](C)(C)C(C)(C)C)C2CCCC2)n1,SUSFLGYPTYHQAN-UHFFFAOYSA-N
-rxn:2:148797:86893,CC(C)c1cccc(-n2[nH]c(=O)cc2NC2CCC(CO[Si](C)(C)C(C)(C)C)OC2)n1,NGZKBZFHOIHMSQ-UHFFFAOYSA-N
-rxn:2:149892:134221,CCC(NC(C)(C)CN(C)Cc1ccc2oc(=O)[nH]c2c1)c1cnc(N2CCN(C)CC2)cc1C,FQFFONGYCLXEPV-UHFFFAOYSA-N
-rxn:2:155273:69008,CN(C1CCS(=O)(=O)C1)C1CCCCC1Nc1ccc(-c2ccccc2S(C)(=O)=O)cn1,VHDRTGHPCLFFGM-UHFFFAOYSA-N
-rxn:2:156863:83584,CC(NC(C)(C)C(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)c1cnccc1OCCN1CCCCC1,ZTMNKSPEEKGUHP-UHFFFAOYSA-N
-rxn:2:159607:116267,CCCC(Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C1CCN(C2CCCC2)C1,PSKMZDDVZUNFDR-UHFFFAOYSA-N
-rxn:2:161616:69008,CN(C1CCS(=O)(=O)C1)C1CCCCC1Nc1ccnc(-c2cnn(S(C)(=O)=O)c2)n1,JSVZVIZCSPEMNZ-UHFFFAOYSA-N
-rxn:2:168779:123461,Cc1nn(C)c(NC2CCC3(CC2)C(F)(F)C32CCC2)c1CN(C)Cc1nccn1C,KGFCDBDRYSKQQK-UHFFFAOYSA-N
-rxn:2:66038:159916,COc1ccc(C(NC2CCC(OS(C)(=O)=O)CC2)C23CN4CN(CN(C4)C2)C3)cc1,XROQLGACODUGMS-UHFFFAOYSA-N
-rxn:2:66241:134391,C[Si](C)(C)CCOCn1ncc2c1CCCC2NCC#CCN1CCC(F)(F)CC1,VURMZFDSVPQGJC-UHFFFAOYSA-N
-rxn:2:66318:163337,CCOc1ccccc1-c1cc(C(C)NC2CCN(CC3(F)CCSCC3)CC2)c(=O)[nH]n1,XQQMNGPTYBSELL-UHFFFAOYSA-N
-rxn:2:66427:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)Nc1c(C2CCC2)cnn1CC1CC1(F)F,MAEQBKZAUKIJAG-UHFFFAOYSA-N
-rxn:2:66556:79331,CCN(C)c1cc(N2CCC(NCC3(CCN(C)C)CC(F)(F)C3)CC2)nc(C)n1,RKUBFRWLSPLFRF-UHFFFAOYSA-N
-rxn:2:66678:144085,CCN1CCc2c(cc(C(C)Nc3nccnc3OCCN3CCOCC3)c(=O)n2C2CC2)C1,IHVCHICZDDIGDP-UHFFFAOYSA-N
-rxn:2:66873:160431,COc1ccc(C2CC2C2CC2NC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)cc1,FOXLFDBQLVAHKT-UHFFFAOYSA-N
-rxn:2:67038:147883,COCC(C)(NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C)c1cc(C(C)C)ccc1C,UANTUZYVVBJYPX-UHFFFAOYSA-N
-rxn:2:67409:89697,CC(C)c1cc(C(C)NCCC2(N3CCN(C)CC3)CSC2)n(C)n1,HXSRUBMHOOZCEV-UHFFFAOYSA-N
-rxn:2:67474:147883,CCC1C(F)(F)C12CCC(NC(C)c1cc3c(=O)[nH]c(N4CCOCC4)nc3nc1C)CC2,LTOOSJAUXHQZEC-UHFFFAOYSA-N
-rxn:2:68267:133840,COCCC1(NC(C)CCCCn2[nH]c(=O)ccc2=O)CCC(F)(F)CC1,SBZVJWUJWMHXCS-UHFFFAOYSA-N
-rxn:2:68267:154391,COCCC1(NC(C)CCCCn2c(=O)c3nc[nH]c3n(C)c2=O)CCC(F)(F)CC1,ZOFMJFUTYMUOAG-UHFFFAOYSA-N
-rxn:2:68673:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCC(F)(F)CN1CCOC(C)C1C,POKBJPNMZAOXEQ-UHFFFAOYSA-N
-rxn:2:68745:144085,CCN1CCc2c(cc(C(C)NCC(F)(F)CN3CCCOC(C)C3)c(=O)n2C2CC2)C1,KAFWRLOFKJAUTJ-UHFFFAOYSA-N
-rxn:2:69023:165256,CC(NC1CCCCCC1N1CCCN(C)CC1)c1csc(-c2ccc(S(C)(=O)=O)cc2)c1,DXTINSCVKQCQAG-UHFFFAOYSA-N
-rxn:2:69353:166041,COc1cc(OC2CCOC2)ccc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,YVPOOPGKERKKBJ-UHFFFAOYSA-N
-rxn:2:69403:117066,CC(NCC1(N(C)C2CCOCC2)CCSC1)c1ccc(OS(=O)(=O)[O-])cc1,NUKIYVAUASFZKN-UHFFFAOYSA-M
-rxn:2:69403:154594,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NCC3(N(C)C4CCOCC4)CCSC3)nc2)cn1,OPNKFLINYAIXIC-UHFFFAOYSA-N
-rxn:2:69403:156809,CC(NCC1(N(C)C2CCOCC2)CCSC1)c1ncccc1-c1ccc(S(C)(=O)=O)nc1,MYYHJROMGJFXMI-UHFFFAOYSA-N
-rxn:2:69561:147883,CCOC(CNC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C)C1CCC(F)(F)CC1,BJMCYAPOMUEJOE-UHFFFAOYSA-N
-rxn:2:69649:71115,CCC(C)c1nc(C(C)C)n(C(C)C)c1NC1CCC(N(C)C)CC1,FVKVQPSFUKQLAV-UHFFFAOYSA-N
-rxn:2:69818:126559,CC1CCC(NCC2(C)CCCCC2(F)F)C(CN(C)C(C)C)C1,VLERPNCSCRBRBV-UHFFFAOYSA-N
-rxn:2:70006:151596,CC(CCCCn1c(=O)c2ncn(C)c2n(C)c1=O)NCc1cn[nH]c1C1CCC(F)(F)CC1,NERWJFKQSFIRQJ-UHFFFAOYSA-N
-rxn:2:70230:147883,COCC1CC(F)(F)CN1c1ncccc1NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,WINSKIHWOLGHRS-UHFFFAOYSA-N
-rxn:2:70230:154391,COCC1CC(F)(F)CN1c1ncccc1NC(C)CCCCn1c(=O)c2nc[nH]c2n(C)c1=O,RKBKZOOFGCBQSO-UHFFFAOYSA-N
-rxn:2:70347:149822,CCC(NCCC1CCN2CCCC12)c1ccc(C2C(CSC(C)=O)C2(F)F)cc1,NDZPERORSZLNMU-UHFFFAOYSA-N
-rxn:2:70482:155591,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NC3CCN(C4CCN5CCCC45)C(C)C3)nc2)nc1,OMJLSPNRXQMDTN-UHFFFAOYSA-N
-rxn:2:70482:155721,CCS(=O)(=O)c1ccc(-c2cccnc2C(C)NC2CCN(C3CCN4CCCC34)C(C)C2)cc1,JDCSQHGMIBNIMP-UHFFFAOYSA-N
-rxn:2:70529:144920,COC1CCN(CC#CCNC(C)c2c(-c3cccc(OC(C)C)c3)cn[nH]c2=O)CC1,ISBPSZMMKJCFPD-UHFFFAOYSA-N
-rxn:2:71125:137907,CCn1ncc(C#CCO[Si](C)(C)C)c1C(C)NC1CCCN(c2ncc[nH]c2=O)C1,DPMMKNGRJKQTDK-UHFFFAOYSA-N
-rxn:2:71125:155041,CCn1ncc(C#CCO[Si](C)(C)C)c1C(C)Nn1ccc2nc(N3CCCCC3)ncc2c1=O,JSNUZWKVLKRKEO-UHFFFAOYSA-N
-rxn:2:71316:86295,CCS(=O)(=O)C(CNC(C)c1ccc(N2CCOCC2)cc1)C1CCCC1,AMNOMGHDUIWCGJ-UHFFFAOYSA-N
-rxn:2:71933:168553,COc1ncc(C2C(CCNC(C)c3cc4c(=O)[nH]c(N5CCCCC5)nc4nc3C)C2(F)F)cc1C,GTUYJPMVYMRYHK-UHFFFAOYSA-N
-rxn:2:72131:143818,CCC(NC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)C(c1ccncc1)N1CCCCC1C,NYEZIFXEWUADMV-UHFFFAOYSA-N
-rxn:2:72474:164678,CCOc1ccc(CN2CCC(NC3CCC(OS(=O)(=O)c4ccc(C)cc4)CC3)CC2)cn1,FJAOVTWPMBNEAT-UHFFFAOYSA-N
-rxn:2:72474:166041,CCOc1ccc(CN2CCC(NC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)CC2)cn1,SRAUXZINASRJSV-UHFFFAOYSA-N
-rxn:2:72660:85544,CCOc1ccc(C(C)Nc2ncc(S(=O)(=O)C3CC3)cc2OC)cc1CN1CCOCC1,HLQLCHPYZHNKCL-UHFFFAOYSA-N
-rxn:2:73080:78001,COc1ccc(NC2c3cc(C)ccc3OCCC2CN2CCCCC2)cc1OS(=O)(=O)F,DZADDTYEYVITLZ-UHFFFAOYSA-N
-rxn:2:73358:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1cc(CO[Si](C)(C)C(C)(C)C)ccn1,JZHNJDFSWGJGHP-UHFFFAOYSA-N
-rxn:2:73657:147883,COCC1C(F)(F)C12CCC(NC(C)c1cc3c(=O)[nH]c(N4CCOCC4)nc3nc1C)CC2,RVDFNBJJZXQXOG-UHFFFAOYSA-N
-rxn:2:73779:74005,CC(C)Cc1cc(C(C)NCC2(N3CCC(N(C)C)CC3)CCN(C)C2)n(C)n1,FLMJAGLPTOOKAD-UHFFFAOYSA-N
-rxn:2:73797:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)NCC1CCN(C)CCC1(F)F,WGQLROVPWGPJKT-UHFFFAOYSA-N
-rxn:2:74005:74639,CC(C)Cc1cc(C(C)NCC2(N(C)C3CCSC3)CCN(C)CC2)n(C)n1,WWKBOTYMALFTOM-UHFFFAOYSA-N
-rxn:2:74217:147883,CCC(CNC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C)(OC)C1CC1C,UFDOMUCUNGUBRU-UHFFFAOYSA-N
-rxn:2:74780:77662,CCC(CC(C)C)C(C)NCC(OC)C1CC(F)(F)C1,ALYRCGUYHALHKJ-UHFFFAOYSA-N
-rxn:2:74949:160431,COc1cc(NC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)ccc1OCC1CC1,QBUZRGGJCFHAKC-UHFFFAOYSA-N
-rxn:2:75039:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(N2CCCC(C(C)(F)F)C2)nc1,FIOPTLSSWWILFZ-UHFFFAOYSA-N
-rxn:2:75075:160098,CCCn1c(NCC(OC)C2CCC(F)(F)CC2)nc2c1c(=O)n(C)c(=O)n2C,UJJVFFGFKRPXEL-UHFFFAOYSA-N
-rxn:2:75279:163337,CCOCCC1(NC(C)c2cc(-c3ccccc3OCC)n[nH]c2=O)CCC(C(C)(C)C)CC1,NDYYANQMYSOMHF-UHFFFAOYSA-N
-rxn:2:75412:147883,COc1ccc(C2C(CCNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)nc1,CIHORHXZSMZWRH-UHFFFAOYSA-N
-rxn:2:75902:166041,COc1cccc(OC2CC2)c1CNC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,TUBFQWPQYFNGCF-UHFFFAOYSA-N
-rxn:2:76442:120869,CCN1CCC(N(C)CCC(C)NCC(F)(F)CN2CCN(C)C(C)C2)CC1,XKCOGOXGOYTWEI-UHFFFAOYSA-N
-rxn:2:76786:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1C(c2cnc(N(C)C)nc2)C1(F)F,JZUONTAYQLSZBU-UHFFFAOYSA-N
-rxn:2:76846:147883,Cc1cc(N2CCN(C)CC2)ncc1C(C)NC(C)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C,LTWTWEUHZOIWTK-UHFFFAOYSA-N
-rxn:2:76862:133840,CC(CCCCn1[nH]c(=O)ccc1=O)Nc1ncccc1CN1CCN(C(C)(C)C)CC1,VNWWMXKDPWGNNI-UHFFFAOYSA-N
-rxn:2:76934:89697,CC(C)c1cc(C(C)NCCC(C)N(C)C2CCN(C)CC2)n(C)n1,MXEWJBIXBOZCDO-UHFFFAOYSA-N
-rxn:2:76937:147883,COc1cc(C)cc(C2C(CCNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)C2(F)F)c1,QZXIFWFQBSQBIY-UHFFFAOYSA-N
-rxn:2:77314:153696,CCCC(N[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,PVDPVRWPVGKYKA-HCGNOCCLSA-N
-rxn:2:77662:113993,CCC(CC)(NCC(OC)C1CC(F)(F)C1)c1nc(C(C)C)cc(=O)[nH]1,WLOVIOSVUYOWJS-UHFFFAOYSA-N
-rxn:2:79103:106538,CCc1cc(=O)[nH]c(N2CCCC(NC(C)c3cc(CO[Si](C)(C)C(C)(C)C)ccn3)C2)n1,CQVYOBADSMKWQI-UHFFFAOYSA-N
-rxn:2:79107:136425,Cc1cc(N2CCC(N(C)C)CC2)ccc1NC(C)c1sc(N2CCN(C)CC2)nc1C,HTXSTFPOZAYGLP-UHFFFAOYSA-N
-rxn:2:79331:164666,Cc1cc(C(C)NCC2(CCN(C)C)CC(F)(F)C2)c2nc(N3CCOCC3)cc(=O)n2c1,KDGVJOKOARSEBL-UHFFFAOYSA-N
-rxn:2:79331:168631,CN(C)C#CC(NCC1(CCN(C)C)CC(F)(F)C1)c1ccc2oc(=O)[nH]c2c1,ZCQTZGWFNWJBKF-UHFFFAOYSA-N
-rxn:2:79331:97959,CC(NCC1(CCN(C)C)CC(F)(F)C1)c1cc(C2CCC2)nn1C,QEIRCNYAYJBJPP-UHFFFAOYSA-N
-rxn:2:79484:144085,CCN1CCc2c(cc(C(C)NCCCn3cnnc3C3CCC(F)(F)CC3)c(=O)n2C2CC2)C1,JHUQQEUHPGWMQY-UHFFFAOYSA-N
-rxn:2:79800:143395,CS(C)(=O)=NS(=O)(=O)CCNC(CCc1ccccn1)c1ccc(N2CCOCC2)cc1,JJDSRLJAIHOIJY-UHFFFAOYSA-N
-rxn:2:79800:145175,CS(C)(=O)=NS(=O)(=O)CCNC1CCc2cc(-c3cnn(C4CCOC4)c3)ccc2C1,MABSNIDRRVVLNB-UHFFFAOYSA-N
-rxn:2:79800:147758,CS(C)(=O)=NS(=O)(=O)CCNC1CCOc2cc(-c3ccnn3C3CCCCO3)ccc21,ZOPVLSYRRDNEGL-UHFFFAOYSA-N
-rxn:2:79800:148300,CS(C)(=O)=NS(=O)(=O)CCNC(c1ccc2c(c1)COCO2)c1ccc2c(c1)COCO2,STBUDHGFRPBWTH-UHFFFAOYSA-N
-rxn:2:79800:148384,CS(C)(=O)=NS(=O)(=O)CCNC1COc2cc(-c3cccc(N4CCOCC4)c3)ccc21,DVOGQXVZEHHAPG-UHFFFAOYSA-N
-rxn:2:79800:153678,CS(C)(=O)=NS(=O)(=O)CCNC1CCc2ccc(-c3cnn(C4CCCCO4)c3)cc21,QDPPRDOHWNTYHB-UHFFFAOYSA-N
-rxn:2:79866:133840,CC(CCCCn1[nH]c(=O)ccc1=O)NCC(F)(F)CN1CCC(C)C1C,LEBWPXKIPWQIGM-UHFFFAOYSA-N
-rxn:2:80137:144936,COc1ccc(C(NOCC2CC3(C2)CC(F)(F)C3)c2cnc(/N=C/N(C)C)s2)cc1,PJCQZPUQGRXEJB-VULFUBBASA-N
-rxn:2:80137:151346,COc1ccc(C(NOCC2CC3(C2)CC(F)(F)C3)c2cnc(N=CN(C)C)s2)cc1,PJCQZPUQGRXEJB-UHFFFAOYSA-N
-rxn:2:80476:109246,CCC(NC1CN(CCCN(C)C)C(C)(C)C1)C1(F)CC1,AHJCMNWIEADSOZ-UHFFFAOYSA-N
-rxn:2:80476:152707,COc1ccc(C(C)NC2CN(CCCN(C)C)C(C)(C)C2)cc1-c1cc(=O)[nH]c(=O)[nH]1,NMCXRJJPCQDXTL-UHFFFAOYSA-N
-rxn:2:80746:81873,CC(=O)c1cc(C2CC2CSC(C)NCC2(S(=O)(=O)C3CC3)CC2)cs1,OISQXGLFJBPYDN-UHFFFAOYSA-N
-rxn:2:81148:143818,CCC(CNC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)C1(C(C)C)COC1,PIWYTDBWSPCBNF-UHFFFAOYSA-N
-rxn:2:81690:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1cncc(CO[Si](C)(C)C(C)(C)C)c1,JZVZXTODWXLEDW-UHFFFAOYSA-N
-rxn:2:81807:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC(F)(F)CN1CCSC(C)(C)C1,MXIQAEGQRGQLMR-UHFFFAOYSA-N
-rxn:2:82298:128171,CC(C)c1cc(C(C)NCC2(N(C)C)CCN(C)CC2)n(C(C)C)n1,QJVVPOBSOXZZCD-UHFFFAOYSA-N
-rxn:2:82412:121530,Cc1nc(CCC(C)NCC2(N(C)C)CCCC(C)C2)[nH]c1C(C)C,MEDYEKVGJRIMHS-UHFFFAOYSA-N
-rxn:2:82836:140202,CC(NCCC1CCCN(CC2CSC2)C1)c1ccc(OS(C)(=O)=O)cc1,VHDWNDRIXVKWHS-UHFFFAOYSA-N
-rxn:2:82877:154283,CCOc1ccc(NC(C)c2cc3c(=O)[nH]c(N4CCCC4)nc3nc2C)c(N2CCC(F)(F)C2)c1,SGCUCINXJNBLSU-UHFFFAOYSA-N
-rxn:2:82877:168553,CCOc1ccc(NC(C)c2cc3c(=O)[nH]c(N4CCCCC4)nc3nc2C)c(N2CCC(F)(F)C2)c1,IEFAKTIELCRPOB-UHFFFAOYSA-N
-rxn:2:83031:87172,CN1CCC(N(C)CC(NC2C(F)(F)C23CCC3)c2cccn2C)CC1,TWLJCHKRFXJSDZ-UHFFFAOYSA-N
-rxn:2:83263:111267,CCC1(CNC2CCN(CCCCN(C)C)C(C)C2)CC(F)(F)C1,LEIQGFLJFMWGCE-UHFFFAOYSA-N
-rxn:2:83781:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC(F)(F)C(C)(C)C,WFDQFFGEXFPLEL-UHFFFAOYSA-N
-rxn:2:83881:136425,CCc1ccc(N2CCN(C)CC2)cc1NC(C)c1sc(N2CCN(C)CC2)nc1C,QJVBRNMUAUNOQM-UHFFFAOYSA-N
-rxn:2:84073:166857,Cc1ccc(C(CSc2n[nH]c(=O)[nH]c2=O)NOCC#CCO[Si](C)(C)C(C)(C)C)cc1,VQKQKSGLFHFCMG-UHFFFAOYSA-N
-rxn:2:84259:81873,CC(=O)c1ccc(C2CC2CSC(C)NCC2(S(=O)(=O)C3CC3)CC2)s1,BUHKXWCBIDMVLD-UHFFFAOYSA-N
-rxn:2:84580:104524,CN(C)N=CCNCCCN1CCC(C(C)(F)F)CC1,GDCKYPAUEPDFQS-UHFFFAOYSA-N
-rxn:2:85074:71125,CCn1ncc(C#CCO[Si](C)(C)C)c1C(C)NCC1(n2ccnc2)CCS(=O)(=O)CC1,YGZKIKWYOVDWRB-UHFFFAOYSA-N
-rxn:2:85335:107353,CN(C)c1ccc(C2C(CCNC3CCOC4(CCC(N(C)C)CC4)C3)C2(F)F)cn1,JCBKQDICHMBUOE-UHFFFAOYSA-N
-rxn:2:85335:140340,CC(C)c1cnn(C(C)C2CC2(F)F)c1NC1CCOC2(CCC(N(C)C)CC2)C1,MZYXORHDYJRLEP-UHFFFAOYSA-N
-rxn:2:85426:160854,CC(C)CCn1c2c(cc(C(C)NCC(F)(F)c3cnc(N(C)C)nc3)c1=O)CN(C)CC2,YZHNIERZQOVUHP-UHFFFAOYSA-N
-rxn:2:85426:160867,CCCCCn1c2c(cc(C(C)NCC(F)(F)c3cnc(N(C)C)nc3)c1=O)CCCC2,STPGGNMKNPOQEP-UHFFFAOYSA-N
-rxn:2:85458:152707,COc1ccc(C(C)NCCN(C)C2CCC(N(C)C)CC2)cc1-c1cc(=O)[nH]c(=O)[nH]1,YGLBIVOOJFDTNK-UHFFFAOYSA-N
-rxn:2:86279:152707,COc1ccc(C(C)NCCN2CCCC(N(C)C3CC3)C2)cc1-c1cc(=O)[nH]c(=O)[nH]1,PIEIMBBWSLSLLY-UHFFFAOYSA-N
-rxn:2:86597:163337,CCOc1ccccc1-c1cc(C(C)NCC2(N(C)C3CCCCC3)CCOCC2)c(=O)[nH]n1,VQBKHVFQTZANFB-UHFFFAOYSA-N
-rxn:2:87147:149465,CC(C)(C)[Si](C)(C)OCCC1CCC(NCC(F)(F)c2n[nH]c3nc[nH]c(=O)c23)C1,JRJBJHASSSHBPX-UHFFFAOYSA-N
-rxn:2:87402:163119,CC(CCCCn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1cccnc1N1CCCC(C(C)(F)F)C1,LJZZDXAWUOVBEA-UHFFFAOYSA-N
-rxn:2:88341:151022,COc1cc(C(C)NCc2cn(C3CCCCC3)c(=O)[nH]c2=O)ccc1OC1CCS(=O)(=O)C1,MMRDIGVCSDPJAC-UHFFFAOYSA-N
-rxn:2:88388:163337,CCOc1ccccc1-c1cc(C(C)NOC2CCC(N(C)C3CCCC3)CC2)c(=O)[nH]n1,VLRXWBCXCUSTFA-UHFFFAOYSA-N
-rxn:2:88564:146932,COc1cccc(Cn2c(NC3C4(C)CCC5C4(C)COC53S(=O)(=O)[O-])cc(=O)[nH]c2=O)c1,ZSRCFFWXHPGENH-UHFFFAOYSA-M
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-rxn:1:63067:11508,CN(C)C1(CN2CC(Cn3cc(CN(c4ccc(Cl)cn4)S(=O)(=O)c4cccs4)nn3)CC2=O)CCOCC1,COTKODWQLJAAJO-UHFFFAOYSA-N
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-rxn:1:63067:12769,CC(=O)N=c1sc2cc(F)ccc2n1Cc1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,SWNMYWPNSWQDMS-UHFFFAOYSA-N
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-rxn:1:63067:17289,CCc1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)nn1-c1ccc(C)cc1Cl,DBASSOAYRVAVLM-UHFFFAOYSA-N
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-rxn:1:63067:22463,CC(C)c1cnn(Cc2ccc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)cc2)c1Br,NZZWFLUQGCYJHK-UHFFFAOYSA-N
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-rxn:1:63067:22466,CC(C)c1cnn(Cc2cccc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c2)c1Cl,LTEGOJZCWGFDGA-UHFFFAOYSA-N
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-rxn:1:63067:22718,CC(C)c1cc(I)n(-c2cncc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c2)n1,YTPGDYMTUNUXFM-UHFFFAOYSA-N
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-rxn:1:63067:35314,CC(NC(=O)[C@H]1C[C@@H]1c1ccc(Br)nc1)c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,CVNTYSMQEKQATJ-FMFRFZGHSA-N
-rxn:1:63067:35375,Cc1nnsc1C(=O)Nc1ccc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)nc1,XRDCMTIGYUTFFA-UHFFFAOYSA-N
-rxn:1:63067:35924,CCCOc1cc(F)ccc1-c1ncc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cn1,WWSVWMWNZFFDDD-UHFFFAOYSA-N
-rxn:1:63067:35952,CCOc1cc(-c2cccc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c2F)ccn1,ZEAHWHCVMXYDOS-UHFFFAOYSA-N
-rxn:1:63067:36020,CC(C)CCn1nccc1-c1ccc(F)cc1-c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,FRMCFIVUZWQBKV-UHFFFAOYSA-N
-rxn:1:63067:36505,CCOc1c(F)cccc1-c1ncc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cn1,ANSIHELYXNTLBI-UHFFFAOYSA-N
-rxn:1:63067:36721,CCOc1cc(F)ccc1-c1cncc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c1,OOIJDGAWKRJSOA-UHFFFAOYSA-N
-rxn:1:63067:37042,COCOc1ccc(F)cc1-c1cncc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c1,RUWXSZHBFDFJQV-UHFFFAOYSA-N
-rxn:1:63067:37328,CCn1ncc(C)c1-c1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)ccn1,OIFMEICYDCINIV-UHFFFAOYSA-N
-rxn:1:63067:37715,CN(C)c1cccc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)n1,RJMBPODUZJQSET-UHFFFAOYSA-N
-rxn:1:63067:38039,CN(C)C1(CN2CC(Cn3cc(-c4cccc(C(F)(F)c5nc6c([N+](=O)[O-])cccc6[nH]5)c4)nn3)CC2=O)CCOCC1,IPLKYCCMZZZWCX-UHFFFAOYSA-N
-rxn:1:63067:3965,CCc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,JABQWPKCLWTNTF-UHFFFAOYSA-N
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-rxn:1:63067:5302,CC(C)c1nc2cc(OCc3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)ccc2[nH]1,AWQADQDPQJFVRV-UHFFFAOYSA-N
-rxn:1:63067:6203,CC(=O)N1CCN(c2cc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)ncn2)CC1,GMKBIDVMOOFMOG-UHFFFAOYSA-N
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-rxn:1:64993:29664,N#Cc1cccnc1N1CC(Cn2cc(-c3cc(N4CCC(C(F)(F)F)CC4)ccc3[N+](=O)[O-])nn2)CC1=O,LESFJBINTCNTOV-UHFFFAOYSA-N
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-rxn:1:65548:29661,N#Cc1nccnc1N1CC(Cn2cc(-c3cc(N4CCCC(C(F)(F)F)C4)ccc3[N+](=O)[O-])nn2)CC1=O,PWPIWBIMZOGSGV-UHFFFAOYSA-N
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-rxn:1:10414:59779,O=c1[nH]c2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,QMCNMBZELBXYRZ-UHFFFAOYSA-N
-rxn:1:10953:44629,CC1CCCCC1N(Cc1cn(-c2cc3ccc(OC4CCCC4)cc3oc2=O)nn1)S(C)(=O)=O,FNCZAAUAIUSJLF-UHFFFAOYSA-N
-rxn:1:11280:61020,N#CC1(C(=O)NCc2cn(CCN3CCN(CCF)CC3)nn2)CC1,WALJEMOZFGXRDE-UHFFFAOYSA-N
-rxn:1:12:42981,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(CC#Cc4ncc(Cl)cc4[N+](=O)[O-])nn3)nn2)CC1,UGJUERWYXGFVHX-UHFFFAOYSA-N
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-rxn:1:14071:59718,CCN1CCC(Nc2cccc(-c3cn(C4CCCN(S(=O)(=O)c5cn(C)c(C)n5)C4)nn3)c2)CC1,UBRQPMUQVATKLK-UHFFFAOYSA-N
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-rxn:1:22475:49480,Nc1c(C2CC2)cnn1Cc1cccc(-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)c1,QXJLECVQQVBSFE-UHFFFAOYSA-N
-rxn:1:22488:49479,Nc1c(C2CCC2)cnn1Cc1ccc(-c2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)cc1,FIBNIXXZXAYPQF-UHFFFAOYSA-N
-rxn:1:22911:49479,Nc1c(I)c(C2CNC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)c1,HSAIIJZLKKNNAL-UHFFFAOYSA-N
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-rxn:1:23663:43325,CN(Cc1cn(CC#Cc2cc(F)c(O)c([N+](=O)[O-])c2)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,GHOMOKLGQLSEFL-MZNJEOGPSA-N
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-rxn:1:25943:49479,Cn1ccc2cc(N3CC(c4cn(C5CCN(S(=O)(=O)N6CCCC6)CC5)nn4)CC3=O)ccc21,XWOAGTVXGBRJPN-UHFFFAOYSA-N
-rxn:1:25943:49480,Cn1ccc2cc(N3CC(c4cn(C5CCN(S(=O)(=O)N6CCOCC6)CC5)nn4)CC3=O)ccc21,DXPRVHZXVYHOKM-UHFFFAOYSA-N
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-rxn:1:25964:49479,Cn1ncc2c(N3CC(c4cn(C5CCN(S(=O)(=O)N6CCCC6)CC5)nn4)CC3=O)cccc21,BBGQHGPXBOGJLR-UHFFFAOYSA-N
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-rxn:1:28143:49471,CN(C)[C@H]1CC[C@@H](c2cn(C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)nn2)CC1,VFRCBIPFHYRPGP-IZAXUBKRSA-N
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-rxn:1:29100:57781,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(CCc2cn(CCCc3ncccc3[N+](=O)[O-])nn2)c1,YNKPYXRSOGKFKF-UHFFFAOYSA-N
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-rxn:1:32468:59779,NC(=O)c1c(N)nc2[nH]ccc2c1-c1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,BYWGGMQFIKKWCO-UHFFFAOYSA-N
-rxn:1:32468:59780,NC(=O)c1c(N)nc2[nH]ccc2c1-c1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,JNCKVSWRWNCEQA-UHFFFAOYSA-N
-rxn:1:35989:49480,COCOc1ccc(C)cc1-c1cc(-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)ccn1,UHMMWLLZRQIUBC-UHFFFAOYSA-N
-rxn:1:36904:49480,COCOc1ccc(F)cc1-c1cc(-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)ccn1,OTRWSXMFPRMWJL-UHFFFAOYSA-N
-rxn:1:37203:49316,CN1CCCN([C@@H]2CCCC[C@H]2n2cc(-c3ccccc3-c3ccc4c(c3)CCN4S(C)(=O)=O)nn2)CC1,UPBYYDRFHUPTKO-FQLXRVMXSA-N
-rxn:1:37203:49355,CN1CCCN([C@@H]2CCC[C@H]2n2cc(-c3ccccc3-c3ccc4c(c3)CCN4S(C)(=O)=O)nn2)CC1,MXVSFMARBMDQPU-VSGBNLITSA-N
-rxn:1:37978:49308,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccc(-c4cn([C@@H]5CCCC[C@H]5N5CCCCCC5)nn4)cc3)nc2c1,SUSGUMHTVOFVRN-CLJLJLNGSA-N
-rxn:1:3841:49710,CC(C)(C)OC(=O)NC1(c2cn(CC3C(c4c[nH]nc4C#N)C3(F)F)nn2)CNC1,IUXULLXIICQNJD-UHFFFAOYSA-N
-rxn:1:3841:49921,CC(C)(C)OC(=O)NC1(c2cn(CC3C(c4ncccc4C#N)C3(F)F)nn2)CNC1,XAUJWXIFSLWNCD-UHFFFAOYSA-N
-rxn:1:3841:53730,CC(C)(C)OC(=O)NC1(c2cn(CCC3C(c4ncccc4C#N)C3(F)F)nn2)CNC1,FYSDBEQELWEEIL-UHFFFAOYSA-N
-rxn:1:40432:23315,CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2(O)c1cn(-c2cc(N)ccc2Cl)nn1,NPDGAIVMCHEOTA-UHFFFAOYSA-N
-rxn:1:41129:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC=Cc3cnc(N)c(C(=O)OC)c3)nn2)CC1,KIXHHNPOHZTGOR-UHFFFAOYSA-N
-rxn:1:41130:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC=Cc3cc(C(=O)OC)cnc3N)nn2)CC1,NGKDJYNLGNRPSA-UHFFFAOYSA-N
-rxn:1:41219:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC=Cc3cnc(N)c(C(=O)OC)n3)nn2)CC1,YGAYHUBLDKWXGS-UHFFFAOYSA-N
-rxn:1:41405:8876,O=C(CN1CCCNCC1)NCc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)nn1,CBILPNCQAHVJSE-UHFFFAOYSA-N
-rxn:1:41701:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC=Cc3cc(OC)c(O)c(OC)c3)nn2)CC1,FBKXDDBNVAXFER-UHFFFAOYSA-N
-rxn:1:4203:59780,Cn1ccnc1C(NCc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1)c1ccco1,NDIWOTDVDNYUEU-UHFFFAOYSA-N
-rxn:1:42572:23663,CN(Cc1cn(CC#Cc2ccc([N+](=O)[O-])cn2)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,QARYLCHMBONSKZ-CRICUBBOSA-N
-rxn:1:42981:29063,CC1(C)OB(C(F)=Cc2cnn(Cc3cn(CC#Cc4ncc(Cl)cc4[N+](=O)[O-])nn3)c2)OC1(C)C,VLYDIXSVVDZYIC-UHFFFAOYSA-N
-rxn:1:42981:29083,CC1(C)OB(C(F)=Cc2cn(Cc3cn(CC#Cc4ncc(Cl)cc4[N+](=O)[O-])nn3)nc2-c2cnccn2)OC1(C)C,XSDMMZRBYPWZMT-UHFFFAOYSA-N
-rxn:1:42981:29100,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(CCc2cn(CC#Cc3ncc(Cl)cc3[N+](=O)[O-])nn2)c1,HYYZCVIKFIYVGD-UHFFFAOYSA-N
-rxn:1:42982:6097,CC(C)(C)OC(=O)N1CCC(n2nncc2-c2cn(CC#Cc3cncc([N+](=O)[O-])c3Cl)nn2)CC1,LNEMKNZDQUBMDK-UHFFFAOYSA-N
-rxn:1:42982:6399,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cn(CC#Cc4cncc([N+](=O)[O-])c4Cl)nn3)cn2)CC1,YENHLVPHRUSTFQ-UHFFFAOYSA-N
-rxn:1:42983:29098,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2cn(CC#Cc3cc([N+](=O)[O-])cnc3Cl)nn2)c1,JXHCJRPSXILFNN-UHFFFAOYSA-N
-rxn:1:43014:29098,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2cn(CC#Cc3ccc(O)c([N+](=O)[O-])n3)nn2)c1,ZIKLAZLZGGOYLI-UHFFFAOYSA-N
-rxn:1:43291:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC#Cc3cc(C(=O)OC)cnc3Cl)nn2)CC1,GCXYLNDNUWBVCS-UHFFFAOYSA-N
-rxn:1:43299:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC#Cc3cnc(C(=O)OC)c(C)c3)nn2)CC1,XAQRCUZAYXUROH-UHFFFAOYSA-N
-rxn:1:4391:49465,Cc1ccc(CNC2CCN(Cc3cn(C4CCN(S(=O)(=O)c5ccc(C)s5)CC4)nn3)CC2)s1,WKRDCALYTUKVRY-UHFFFAOYSA-N
-rxn:1:44418:29098,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2cn(CCC#Cc3cc([N+](=O)[O-])ccn3)nn2)c1,ZQCDOFRYHQRVHV-UHFFFAOYSA-N
-rxn:1:44780:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CCC#Cc3cnc(C(=O)O)c(N)c3)nn2)CC1,DLSHMIMRPLWFRI-UHFFFAOYSA-N
-rxn:1:44957:35756,Cc1cc(C#CCCn2cc(-c3cc(Br)cnc3NC(=O)CC3(C)OCCO3)nn2)cc([N+](=O)[O-])c1N,PEUIZOMYHVLAOI-UHFFFAOYSA-N
-rxn:1:44989:35756,CC1(CC(=O)Nc2ncc(Br)cc2-c2cn(CCC#Cc3cc(F)c(F)cc3[N+](=O)[O-])nn2)OCCO1,BNBSQCLLDPMGRN-UHFFFAOYSA-N
-rxn:1:44998:35756,CC1(CC(=O)Nc2ncc(Br)cc2-c2cn(CCC#Cc3cc(F)c(O)c([N+](=O)[O-])c3)nn2)OCCO1,OEVNCIOFRHOWHO-UHFFFAOYSA-N
-rxn:1:45132:30319,COCCOc1ccc(-n2cc(C(=O)N3CCC4(CCN(Cc5ccc(Cl)cn5)CCCOc5ccccc5C(=O)NC4)CC3)nn2)cc1,XVQPMYDAIBOEKO-UHFFFAOYSA-N
-rxn:1:45798:29098,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2cn(CCC=Cc3nc([N+](=O)[O-])c[nH]3)nn2)c1,CTXDYBNSWWDZOO-UHFFFAOYSA-N
-rxn:1:49460:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)nn2)CC1,WOEWHKJBUCBSHQ-UHFFFAOYSA-N
-rxn:1:49480:37479,CCOc1ccc(-c2ccccc2-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)c(OC)c1,KXFVUCQNBLSSEQ-UHFFFAOYSA-N
-rxn:1:5006:59744,CCN1c2ccc(N)cc2N(Cc2cn(C3CCCN(S(=O)(=O)c4ccc(C)s4)C3)nn2)CC12CCCC2,QPCVKUXBYJQAOQ-UHFFFAOYSA-N
-rxn:1:50792:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3C(c4cnc(OC)nc4OC)C3(F)F)nn2)CC1,ATSCYYQRQFVSGK-UHFFFAOYSA-N
-rxn:1:51052:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3C(c4c(O)cc(OC)cc4OC)C3(F)F)nn2)CC1,JWOYYPYRPBWHDR-UHFFFAOYSA-N
-rxn:1:51100:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3C(c4cc([N+](=O)[O-])cnc4OC)C3(F)F)nn2)CC1,MXIJFBUSTYBVMA-UHFFFAOYSA-N
-rxn:1:5113:49479,Nc1nc2c(s1)C(c1cccc(OCc3cn(C4CCN(S(=O)(=O)N5CCCC5)CC4)nn3)c1)CC(O)=N2,FWTDQTOHKZKCIS-UHFFFAOYSA-N
-rxn:1:5113:59777,Nc1nc2c(s1)C(c1cccc(OCc3cn(C4CCCN(S(=O)(=O)N5CCCC5)C4)nn3)c1)CC(O)=N2,DDMBWTGQIJTBQQ-UHFFFAOYSA-N
-rxn:1:5113:59779,Nc1nc2c(s1)C(c1cccc(OCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)c1)CC(O)=N2,PYFMBWSIEVOXHU-UHFFFAOYSA-N
-rxn:1:51429:9825,CCN1CCC2(CC1)CN(Cc1cn(CCCCS(=O)(=O)Cl)nn1)c1cc(OC)c(OC)cc1N2,BGDMIIZPZSJLCY-UHFFFAOYSA-N
-rxn:1:51939:15673,Nc1ncc(C2CC2CCn2cc(-c3cn(C4CCCS(=O)(=O)C4)nc3C3CCCCC3)nn2)nc1N,BZVIFTCLINIGCV-UHFFFAOYSA-N
-rxn:1:52155:17727,NNc1ccc(C2CC2CCn2cc(-c3cc(C4CCCCC4)n(C4CCCS(=O)(=O)C4)n3)nn2)cn1,DYNLNAAUUCDBCW-UHFFFAOYSA-N
-rxn:1:52156:15673,NNc1cccc(C2CC2CCn2cc(-c3cn(C4CCCS(=O)(=O)C4)nc3C3CCCCC3)nn2)n1,IMDDNOPEJUHSMY-UHFFFAOYSA-N
-rxn:1:52801:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CCC3CC3c3cnc(N)c(C(=O)O)c3)nn2)CC1,WEMXSJBVSLYQSA-UHFFFAOYSA-N
-rxn:1:52823:35756,CC1(CC(=O)Nc2ncc(Br)cc2-c2cn(CCC3CC3c3ccc(O)c([N+](=O)[O-])n3)nn2)OCCO1,XOLYQUFJCAMJEO-UHFFFAOYSA-N
-rxn:1:52876:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CCC3CC3c3cnc(C(=O)O)c(C)c3)nn2)CC1,XXJBCNXXHKMOGX-UHFFFAOYSA-N
-rxn:1:52914:35756,CC1(CC(=O)Nc2ncc(Br)cc2-c2cn(CCC3CC3c3cc([N+](=O)[O-])cnc3N)nn2)OCCO1,XCXRFRHLEMOYSC-UHFFFAOYSA-N
-rxn:1:52915:35756,CC1(CC(=O)Nc2ncc(Br)cc2-c2cn(CCC3CC3c3cnc(N)c([N+](=O)[O-])c3)nn2)OCCO1,BBDWCYIHZCMDAP-UHFFFAOYSA-N
-rxn:1:53142:16981,Nc1ccc2nccnc2c1C1CC1CCn1cc(-c2cnn(C3CCCS(=O)(=O)C3)c2C2CCCCC2)nn1,JENVRHAMLAWVGC-UHFFFAOYSA-N
-rxn:1:53514:39225,CC(C)(C)OC(=O)NC1(c2cn(CCC3C(c4c[nH]nc4C#N)C3(F)F)nn2)CC1,QIMJUBCNMVFYSD-UHFFFAOYSA-N
-rxn:1:54496:6257,CN1CCC(N(C)c2cc(-c3cn(CCC4C(c5cnc(O)c([N+](=O)[O-])c5)C4(F)F)nn3)ncn2)CC1,TWSYOCDOPDFFPT-UHFFFAOYSA-N
-rxn:1:54860:23294,CC(=O)[C@H]1C[C@H](c2cn(CCC3C(c4ccc(N5CCN(C)CC5)cc4)C3(F)F)nn2)C1,OOVLWUMNZGCLEP-WLKWEBFESA-N
-rxn:1:55132:9247,CC1(C)CC2(CCO1)CN(CC#N)CCN2Cc1cn(C2CCc3c(Br)cccc32)nn1,KVWWYRXWHNVUBH-UHFFFAOYSA-N
-rxn:1:55523:15673,NNc1cccc(C2CC2Cn2cc(-c3cn(C4CCCS(=O)(=O)C4)nc3C3CCCCC3)nn2)n1,VSTQUVPHKBXLJR-UHFFFAOYSA-N
-rxn:1:56240:33216,CN1CCC(CC(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cnc(N)c(C(=O)O)c3)nn2)CC1,ZRFNJZRJQYNRGL-UHFFFAOYSA-N
-rxn:1:56240:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cnc(N)c(C(=O)O)c3)nn2)CC1,DLSZBYGNTGKRAF-UHFFFAOYSA-N
-rxn:1:56243:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cnc(C(=O)OC)nc3)nn2)CC1,XLLDRBPAXQQXMF-UHFFFAOYSA-N
-rxn:1:56270:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3ccc(O)c([N+](=O)[O-])n3)nn2)CC1,HLMXAIRVDUYHJY-UHFFFAOYSA-N
-rxn:1:56328:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cccnc3C(=O)OC)nn2)CC1,KPJRVRFVVQXGRY-UHFFFAOYSA-N
-rxn:1:56342:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3ccnc(C(=O)OC)c3)nn2)CC1,FUTRCFVGKGCMKK-UHFFFAOYSA-N
-rxn:1:56384:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cncc([N+](=O)[O-])c3N)nn2)CC1,FSEBEKUPTDVDJU-UHFFFAOYSA-N
-rxn:1:56531:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cnc(N)c(C(=O)OC)c3)nn2)CC1,URUWMEAJMAKXPJ-UHFFFAOYSA-N
-rxn:1:56532:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cc(C(=O)OC)cnc3N)nn2)CC1,WBXSIDWZQWNLMU-UHFFFAOYSA-N
-rxn:1:56568:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cnc(F)c(C(=O)OC)c3)nn2)CC1,XRKFZUGJIORNPL-UHFFFAOYSA-N
-rxn:1:56762:11265,CN1CCN(c2ccc(N(Cc3cn(CC4CC4c4ccc(N5CCCCC5)cc4)nn3)S(C)(=O)=O)cc2)CC1,WPWLEQORADQTCG-UHFFFAOYSA-N
-rxn:1:56900:17588,CC(C)c1cc(-c2cn(CCCN(C)C3CCN(C)CC3)nn2)nn1C1CCCS(=O)(=O)C1,ABCMMOPDJYCSIR-UHFFFAOYSA-N
-rxn:1:56900:18594,CN1CCC(N(C)CCCn2cc(-c3nn(C4CCS(=O)(=O)CC4)cc3C3CCC3)nn2)CC1,UKFSXMPBOXLVQD-UHFFFAOYSA-N
-rxn:1:56900:2037,CN1CCC(N(C)CCCn2cc(C3(S(=O)(=O)N(C)C)CC3)nn2)CC1,BNLYGYZJJUGCFY-UHFFFAOYSA-N
-rxn:1:56900:33292,CN1CCC(N(C)CCCn2cc(CN3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)nn2)CC1,JGHYFWQAFBCEGK-UHFFFAOYSA-N
-rxn:1:56900:3358,CN1CCC(N(C)CCCn2cc(CC3(S(N)(=O)=O)CC3)nn2)CC1,MKXAYOMXGMFSNK-UHFFFAOYSA-N
-rxn:1:56900:38952,CN1CCC(N(C)CCCn2cc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)nn2)CC1,WWALHCVUDXWILN-UHFFFAOYSA-N
-rxn:1:56900:8005,CN1CCC(N(C)CCCn2cc(C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)nn2)CC1,RYTQINXCZOKGMC-UHFFFAOYSA-N
-rxn:1:56900:9070,CN1CCC(N(C)CCCn2cc(CNC(=O)c3c4c(nc5ccc(F)cc35)CCC4)nn2)CC1,CWANMGWNWWTZLP-UHFFFAOYSA-N
-rxn:1:56900:9103,CN1CCC(N(C)CCCn2cc(CNC(=O)c3c4c(nc5ccc(F)cc35)CCCC4)nn2)CC1,WPCLPURYRHQSHR-UHFFFAOYSA-N
-rxn:1:57408:29100,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(CCc2cn(CCCc3ncc([N+](=O)[O-])s3)nn2)c1,CFSHKKWXFAWRPK-UHFFFAOYSA-N
-rxn:1:57779:29098,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2cn(CCCc3cccnc3[N+](=O)[O-])nn2)c1,KHUGMERRVPXVQL-UHFFFAOYSA-N
-rxn:1:58182:29074,CC1(C)OB(C(F)=Cc2cc(-c3cnccn3)nn2Cc2cn(CCCc3ncc(Cl)cc3[N+](=O)[O-])nn2)OC1(C)C,JKGGDEKZUHFKCB-UHFFFAOYSA-N
-rxn:1:58182:29083,CC1(C)OB(C(F)=Cc2cn(Cc3cn(CCCc4ncc(Cl)cc4[N+](=O)[O-])nn3)nc2-c2cnccn2)OC1(C)C,HZNXAPXJWGIIEM-UHFFFAOYSA-N
-rxn:1:58182:29098,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2cn(CCCc3ncc(Cl)cc3[N+](=O)[O-])nn2)c1,OADRUWACVQZTSU-UHFFFAOYSA-N
-rxn:1:58195:29098,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2cn(CCCc3cnc(C)c([N+](=O)[O-])c3)nn2)c1,GYKVJSWDXFHMCL-UHFFFAOYSA-N
-rxn:1:58247:18101,O=[N+]([O-])c1cc(Br)ccc1CCCn1cc(-c2c3c(nn2C2CCCSC2)CCN(CC(F)(F)F)C3)nn1,JTZBGISGWCOPJM-UHFFFAOYSA-N
-rxn:1:58397:10750,CN(CCCn1cc(COc2ccc(CN3CCC4(CC3)CNC(=O)C4)cc2Cl)nn1)C1CCS(=O)(=O)C1,ZBXYWFYLXMQSGG-UHFFFAOYSA-N
-rxn:1:58465:38542,CC12CCC3c4ccc(OC5CCCC5)cc4CCC3C1CCC2(O)c1cn(-c2ccccc2C#N)nn1,NGYXTXLIPJMZBF-UHFFFAOYSA-N
-rxn:1:58465:39746,CC12CCC3c4ccc(OC5CCCC5)cc4CCC3C1CCCC2(O)c1cn(-c2ccccc2C#N)nn1,XBRLJLRZHHAFQZ-UHFFFAOYSA-N
-rxn:1:58465:39747,CC12CCC3c4ccc(OC5CCCC5)cc4CCC3C1CC(O)C2(O)c1cn(-c2ccccc2C#N)nn1,PNWFCACGTNYITN-UHFFFAOYSA-N
-rxn:1:58984:8071,Cc1nc(C2CCCN(C(=O)c3cn(CCCCc4ncc(Cl)cc4N)nn3)C2)ncc1C(=O)N1CCCC1,KMHZRBUMEAWKCQ-UHFFFAOYSA-N
-rxn:1:58984:8072,Cc1nc(C2CCCN(C(=O)c3cn(CCCCc4ncc(Cl)cc4N)nn3)C2)ncc1C(=O)N1CCCCC1,PPNJZHCJOIYFJS-UHFFFAOYSA-N
-rxn:1:59501:29938,O=C(O)c1ccc(S(=O)(=O)n2cc(C(=O)N3CCC4(CCCN(Cc5ccc(F)cn5)CC5(CC5)COc5ccccc5C(=O)NC4)CC3)nn2)cc1,OFPGKQQYGRGWLD-UHFFFAOYSA-N
-rxn:1:59717:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)nn2)CC1,JAVVZDYTMVCOGN-UHFFFAOYSA-N
-rxn:1:59744:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCCN(S(=O)(=O)c4ccc(C)s4)C3)nn2)CC1,SGGKSLOHBGPDBK-UHFFFAOYSA-N
-rxn:1:59755:33216,CN1CCC(CC(=O)Nc2ncc(Br)cc2-c2cn(C3CCCN(S(=O)(=O)c4ccc(C#N)cc4)C3)nn2)CC1,CCPNMTPZJDCYPW-UHFFFAOYSA-N
-rxn:1:59759:13485,CN1CCC(CNC(=O)c2cccc(-c3cn(C4CCCN(S(=O)(=O)c5ccccc5)C4)nn3)c2)CC1,ZPMHMKCRTVKGMJ-UHFFFAOYSA-N
-rxn:1:59763:21239,COc1ccc(Cn2nc(C3CCCCC3)cc2-c2cn(C3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)nn2)cc1,IPKKAAUEMASVJI-UHFFFAOYSA-N
-rxn:1:59776:22129,COc1ccc(Cn2nc(C3CCCC3)cc2-c2cn(C3CCCN(S(=O)(=O)CCc4ccccc4)C3)nn2)c(O)c1,VXAYKGXPNKRYHX-UHFFFAOYSA-N
-rxn:1:59795:8217,CNc1nccnc1C1CCN(C(=O)c2cn(CC3CCCN3S(=O)(=O)c3ccc(C)c(C)c3)nn2)CC1,NLSLUZVLXATQCF-UHFFFAOYSA-N
-rxn:1:59835:34456,Cc1cc(C(=O)NC2COC(C)(C)OC2)ccc1-c1cn(C2CN(CC(=O)c3ccc(Cl)cc3)C2)nn1,WHRYFOSCFUCORP-UHFFFAOYSA-N
-rxn:1:60109:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(P(=N)(N)Cl)nn1,FNUQEWWZJPXDKI-UHFFFAOYSA-M
-rxn:1:60244:23315,CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2(O)c1cn(-c2cc(N)ccc2F)nn1,ODPVWSYEKHWBSO-UHFFFAOYSA-N
-rxn:1:60288:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCCN(S(=O)(=O)c4cn(CC)c(C)n4)C3)nn2)CC1,OJUSYSOSPMJGSU-UHFFFAOYSA-N
-rxn:1:60302:14194,COc1ccc(-c2cn(CC3CCCN3S(=O)(=O)c3ccccc3C#N)nn2)cc1OCC1CCCCC1,RMELYXILYGGWHI-UHFFFAOYSA-N
-rxn:1:60304:36904,COCOc1ccc(F)cc1-c1cc(-c2cn(C3CCCN(S(=O)(=O)N4CCOCC4)C3)nn2)ccn1,ARXWIXVKXOJNEK-UHFFFAOYSA-N
-rxn:1:60305:9965,Cc1cc(F)ccc1S(=O)(=O)N1CCCC1Cn1cc(Cn2cc(C(=O)NC3CCCCCCC3)ccc2=O)nn1,AWTRBWJQHQNUHJ-UHFFFAOYSA-N
-rxn:1:60331:25149,COC(=O)c1ncc(Br)cc1N1CC(c2cn(C(C)(C)C3c4ccccc4OCC4=CNNN43)nn2)CC1=O,SNSCKCAOQZRLLR-UHFFFAOYSA-N
-rxn:1:60360:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCN(S(=O)(=O)c4ccc(OC)cc4)C3)nn2)CC1,CIYVBCABXNIFPP-UHFFFAOYSA-N
-rxn:1:60643:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCN(S(=O)(=O)c4cn(CC)c(C)n4)C3)nn2)CC1,SCEYQWPAMYFRPI-UHFFFAOYSA-N
-rxn:1:60643:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCN(S(=O)(=O)c4cn(CC)c(C)n4)C3)nn2)CC1,IJXOVWFGNYNLDM-UHFFFAOYSA-N
-rxn:1:60645:22147,COc1c(F)cccc1Cn1nc(C2CCCC2)cc1-c1cn(C2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)nn1,IWDFRVKIGRRYSR-UHFFFAOYSA-N
-rxn:1:60646:22147,COc1c(F)cccc1Cn1nc(C2CCCC2)cc1-c1cn(C2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)C2)nn1,QVEOTZPBEMIHCG-UHFFFAOYSA-N
-rxn:1:60658:22474,Nc1c(C2CC2)cnn1Cc1ccc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)cc1,WRPHVGSLEUPIMJ-UHFFFAOYSA-N
-rxn:1:60658:22475,Nc1c(C2CC2)cnn1Cc1cccc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,ZROLFPJKJIJJPE-UHFFFAOYSA-N
-rxn:1:60658:22909,Nc1c(Br)c(C2CNC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,UTQINPSPBHJMFR-UHFFFAOYSA-N
-rxn:1:60658:22910,Nc1c(Cl)c(C2CNC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,YAOXMCRAOOIRFB-UHFFFAOYSA-N
-rxn:1:60658:5113,Nc1nc2c(s1)C(c1cccc(OCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c1)CC(O)=N2,QDUWFBDDPWCADH-UHFFFAOYSA-N
-rxn:1:60859:33746,Cc1cc(C(=O)NCS(=O)(=O)O)ccc1-c1cn(CCN2CCOCC3CCCC32)nn1,WOOVXYUXFOSDLC-UHFFFAOYSA-N
-rxn:1:60862:35554,C=C(C)c1ccc(C(=O)Nc2ccncc2-c2cn(CC(=O)N3CC(COC)C4(CCC4)C3)nn2)cc1,KBKSHMWBRRQACC-UHFFFAOYSA-N
-rxn:1:60863:1520,CCN(Cc1cn(CCN2CC(COC)C3(CCC3)C2)nn1)S(=O)(=O)c1cccs1,RTEIEPPGYVPNJR-UHFFFAOYSA-N
-rxn:1:60903:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CCN4CCC5(CC(OC)CCO5)C4)nn3)cn2)CC1,QNGAVTHXMONSMK-UHFFFAOYSA-N
-rxn:1:61023:17598,CCS(=O)(=O)c1ccc(-n2nc(-c3cn(CCN4CCC(N5CCSCC5)CC4)nn3)cc2C2CC2)cc1,YRRUEOQBPWSFTD-UHFFFAOYSA-N
-rxn:1:61023:9087,O=C(NCc1cn(CCN2CCC(N3CCSCC3)CC2)nn1)c1c2c(nc3c(Cl)cccc13)CCCC2,XZJQXYMVDKPDRG-UHFFFAOYSA-N
-rxn:1:61266:15484,CCS(=O)(=O)c1ccc(-n2cc(-c3cn(C4CN(C5CCSCC5)C4)nn3)c(C3CCCC3)n2)cc1,FAQFAYQUBDBHKU-UHFFFAOYSA-N
-rxn:1:61268:23663,CN(Cc1cn(C2CN(C3CCC3)C2)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,RNPADIYYUMLNHG-VOIUYBSRSA-N
-rxn:1:61291:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(C3CN(CCCOC)C3)nn2)CC1,FBJYFJNGWIIMFU-UHFFFAOYSA-N
-rxn:1:61342:5524,C=CCN1CC(n2cc(CN3CCC4(CC3)CN(S(C)(=O)=O)Cc3cc(C)ccc3O4)nn2)C1,XJYCMONSYWVCBO-UHFFFAOYSA-N
-rxn:1:61355:18594,CCNC(=O)CN1CC(n2cc(-c3nn(C4CCS(=O)(=O)CC4)cc3C3CCC3)nn2)C1,VOMBPTAGUIYCAD-UHFFFAOYSA-N
-rxn:1:61452:11206,CN1CCN(S(=O)(=O)c2ccc(OCc3cn(Cc4ccc(C(=O)N5CCCC5)s4)nn3)cc2)CC1,PNSSTAZASLSTFK-UHFFFAOYSA-N
-rxn:1:61550:8876,O=C(CN1CCCNCC1)NCc1cn(Cc2cc(OS(=O)(=O)F)cc(C(=O)O)c2)nn1,QQJKTHTWJKVPDR-UHFFFAOYSA-N
-rxn:1:62297:16058,COc1cc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)ccc1-n1cc(I)c(CC(C)C)n1,UBCHKTMJSQYKPB-UHFFFAOYSA-N
-rxn:1:62765:17813,CCC(=O)c1cc(-c2cn(CC3CC(=O)N(C(c4nccn4C)C4CC4)C3)nn2)c2c(c1)C(C1CCC1)C(=O)N2,OSPWUEGYCKGGRK-UHFFFAOYSA-N
-rxn:1:63067:10693,CN(C)C1(CN2CC(Cn3cc(-c4cccc(NC(=O)c5cnc6[nH]cnn6c5=O)c4)nn3)CC2=O)CCOCC1,FJARKTYQYPODPC-UHFFFAOYSA-N
-rxn:1:63067:15383,COc1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)ccc1-n1cc(N)cn1,VLJHYVCDKHWNQJ-UHFFFAOYSA-N
-rxn:1:63067:16897,CCCc1c(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)cnn1CC(F)(F)F,UZYYASYLGFPIFT-UHFFFAOYSA-N
-rxn:1:63067:17622,CN(C)C1(CN2CC(Cn3cc(-c4cc(C5CCC5)n(CCF)n4)nn3)CC2=O)CCOCC1,AXOJIZVEIDYURE-UHFFFAOYSA-N
-rxn:1:63067:17906,CN(C)C1(CN2CC(Cn3cc(-c4cnn(-c5cc(C(N)=O)ccn5)c4)nn3)CC2=O)CCOCC1,FDBQBTMCCWQSLY-UHFFFAOYSA-N
-rxn:1:63067:18009,CN(C)C1(CN2CC(Cn3cc(-c4nn(CCF)c5c4CCC5)nn3)CC2=O)CCOCC1,CWYUXCMSYJKIRU-UHFFFAOYSA-N
-rxn:1:63067:18043,CN(C)C1(CN2CC(Cn3cc(-c4c5c(nn4CCF)CNC5)nn3)CC2=O)CCOCC1,LUDAJQNVAZGPKM-UHFFFAOYSA-N
-rxn:1:63067:18162,CN(C)C1(CN2CC(Cn3cc(-c4c5c(nn4CCF)CCSC5)nn3)CC2=O)CCOCC1,CIGFGLKBSQTENB-UHFFFAOYSA-N
-rxn:1:63067:18590,CN(C)C1(CN2CC(Cn3cc(-c4nn(CCF)cc4C4CCC4)nn3)CC2=O)CCOCC1,PZRJMZHFNZXONI-UHFFFAOYSA-N
-rxn:1:63067:23238,CCn1nc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c2c(N)ncnc21,NEEDDDBVOBHYQP-UHFFFAOYSA-N
-rxn:1:63067:23524,CC(C)c1ccnc2oc(-c3cn(CC4CC(=O)N(CC5(N(C)C)CCOCC5)C4)nn3)c(N)c12,YJYPVBQPDGCGED-UHFFFAOYSA-N
-rxn:1:63067:23590,CN(C)C1(CN2CC(Cn3cc(CNc4cnnc5c(Cl)cccc45)nn3)CC2=O)CCOCC1,QCSBNAAEOIRHFC-UHFFFAOYSA-N
-rxn:1:63067:23594,CN(C)C1(CN2CC(Cn3cc(CNc4cnnc5c(Br)cccc45)nn3)CC2=O)CCOCC1,PVLKLTFXZBTWRX-UHFFFAOYSA-N
-rxn:1:63067:23748,CN(C)C1(CN2CC(Cn3cc([C@H]4C[C@H](n5cc(CBr)nn5)C4)nn3)CC2=O)CCOCC1,AKCPLAOCJTYGLK-UTPHLMKXSA-N
-rxn:1:63067:23749,CN(C)C1(CN2CC(Cn3cc([C@H]4C[C@@H](n5cc(CBr)nn5)C4)nn3)CC2=O)CCOCC1,AKCPLAOCJTYGLK-FGQQEBQWSA-N
-rxn:1:63067:2534,CCNc1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)ccn1,ADUAYGYJWMWDOI-UHFFFAOYSA-N
-rxn:1:63067:31170,CC(C)c1ccnc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)c1,OHQNCOUIXWLMCK-UHFFFAOYSA-N
-rxn:1:63067:32264,CN(C)C1(CN2CC(Cn3cc(-c4c(C(N)=O)ccn5nccc45)nn3)CC2=O)CCOCC1,APOGOXXGKLMHGB-UHFFFAOYSA-N
-rxn:1:63067:32272,CN(C)C1(CN2CC(Cn3cc(-c4c(F)cn5cc(C6CC6)nc5c4F)nn3)CC2=O)CCOCC1,BSYUPGYCMIHEKB-UHFFFAOYSA-N
-rxn:1:63067:32512,CN(C)C1(CN2CC(Cn3cc(-c4ccnc(NC5CC5)c4Cl)nn3)CC2=O)CCOCC1,XTIMPGSNOFRCQP-UHFFFAOYSA-N
-rxn:1:63067:3341,CN(C)C1(CN2CC(Cn3cc(C(=O)N4CCC(n5c(-c6ccco6)nc6cccnc65)C4)nn3)CC2=O)CCOCC1,YTXWUEKUWQEPAL-UHFFFAOYSA-N
-rxn:1:63067:35001,CC(NC(=O)c1ccc2ccc(Br)cc2n1)c1cn(CC2CC(=O)N(CC3(N(C)C)CCOCC3)C2)nn1,IRCNYLVDUOQDGY-UHFFFAOYSA-N
-rxn:1:63067:381,CN(C)C1(CN2CC(Cn3cc(-c4cnn(C)c4CF)nn3)CC2=O)CCOCC1,QEFBGEXKLXQGRA-UHFFFAOYSA-N
-rxn:1:63067:38729,CC(=O)Nc1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)ccn1,FAWWBIQTTKCXIE-UHFFFAOYSA-N
-rxn:1:63067:6587,CN(C)C1(CN2CC(Cn3cc(Cn4ccn5nc(C6CCC6)c(CCl)c45)nn3)CC2=O)CCOCC1,YIAFJCMJUAMIOR-UHFFFAOYSA-N
-rxn:1:63067:6592,CN(C)C1(CN2CC(Cn3cc(Cn4ccn5nc(C6CC6)c(CCl)c45)nn3)CC2=O)CCOCC1,RFLNVXJCRRNWMH-UHFFFAOYSA-N
-rxn:1:63067:6645,CN(C)C1(CN2CC(Cn3cc(Cn4nc(-c5ccsc5)c5c4CCNC5)nn3)CC2=O)CCOCC1,NRPCVHQJODFGAB-UHFFFAOYSA-N
-rxn:1:63067:6646,CN(C)C1(CN2CC(Cn3cc(Cn4nc(-c5cccs5)c5c4CCNC5)nn3)CC2=O)CCOCC1,RAULOLCGXPCOIF-UHFFFAOYSA-N
-rxn:1:63940:34480,Cc1ccc(NC(=O)CN(C)C)cc1-c1cn(CC2CC(=O)N(C3CCC(N)CC3)C2)nn1,AZRNBXANMHIFFY-UHFFFAOYSA-N
-rxn:1:65480:30319,CCOC(=O)c1sc2ncccc2c1-n1cc(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cn4)CCCOc4ccccc4C(=O)NC3)CC2)nn1,XRYGPURHDOABAJ-UHFFFAOYSA-N
-rxn:1:65621:29938,Cn1cc(S(=O)(=O)n2cc(C(=O)N3CCC4(CCCN(Cc5ccc(F)cn5)CC5(CC5)COc5ccccc5C(=O)NC4)CC3)nn2)cn1,HDQNKAHHDHULEL-UHFFFAOYSA-N
-rxn:1:9087:60912,O=C(NCc1cn(CCN(C2CCSCC2)C2CC2)nn1)c1c2c(nc3c(Cl)cccc13)CCCC2,JDPBDKUGWWRUJO-UHFFFAOYSA-N
-rxn:2:100162:144085,CCN1CCc2c(cc(C(C)NCc3nccnc3N3CCCCC3)c(=O)n2C2CC2)C1,RDGGGCGDOVREIP-UHFFFAOYSA-N
-rxn:2:101651:144085,CCN1CCc2c(cc(C(C)NCCc3ccnn3C3CCN(C)CC3)c(=O)n2C2CC2)C1,CSNVSTOXTCFGMX-UHFFFAOYSA-N
-rxn:2:102775:168792,CCC(NC1CCCN(CCCOC)C1(C)C)c1ccc(-c2ccc(S(C)(=O)=O)nc2)s1,LALVTVNKTGTJKE-UHFFFAOYSA-N
-rxn:2:103274:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2c(C3CC3)c(C3CC3)nn2C2CCCC2)cn1,CBERXVXYTAAQFK-UHFFFAOYSA-N
-rxn:2:103288:144085,CCN1CCc2c(cc(C(C)NCCS(C)(=O)=NC)c(=O)n2C2CC2)C1,CICZDTSPAVVXEB-UHFFFAOYSA-N
-rxn:2:103703:162583,Cc1c(C23CC4CC(CC(C4)C2)C3)n[nH]c1NC(c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1)C1CC1,UFCNPRQYRTWPTF-UHFFFAOYSA-N
-rxn:2:104469:144085,CCN1CCc2c(cc(C(C)Nc3ccnc(N4CCC(OC)CC4)n3)c(=O)n2C2CC2)C1,BCXLGGHSBFPNBU-UHFFFAOYSA-N
-rxn:2:104503:133426,CC(Nc1cccnc1S(=O)(=O)CC1CCOC1)c1ccn(CCN2CCOCC2)c(=O)c1,QWEDVHSBAZTXIL-UHFFFAOYSA-N
-rxn:2:104503:87628,Cc1ccc(C(C)(C)C)cc1C(CCN1CCCC1)Nc1cccnc1S(=O)(=O)CC1CCOC1,ZABRWDLUTAKTEC-UHFFFAOYSA-N
-rxn:2:105079:169569,COCCCN1Cc2cc(NC(C)c3cc(-c4ccc(N5CCCCC5)nc4)cs3)ccc2C2(CC2)C1,ADJFRFNBJOBTDU-UHFFFAOYSA-N
-rxn:2:105350:74540,Cc1cc(C)c(C(CCN2CCCC(C)C2)NCc2ccnc(N3CCS(=O)(=O)CC3)n2)c(C)c1,RGHPQLSIXAPPCP-UHFFFAOYSA-N
-rxn:2:105600:144085,CCN1CCc2c(cc(C(C)Nc3ccc(N4CCC(OC)CC4)nn3)c(=O)n2C2CC2)C1,AWEMOSVRDUFRPF-UHFFFAOYSA-N
-rxn:2:105834:118572,Cc1ccc(C(CCN2CCCC2)NCC2CN(C3CCS(=O)(=O)C3)C(C)(C)C2)cc1,ZCBCMQAWFFEGBG-UHFFFAOYSA-N
-rxn:2:105834:147134,CCn1nccc1-c1ccc(C(NCC2CN(C3CCS(=O)(=O)C3)C(C)(C)C2)C(C)C2CC2)cc1,UNGMWJPNIRDAEN-UHFFFAOYSA-N
-rxn:2:105834:156269,Cc1cc(-c2ccc(C(NCC3CN(C4CCS(=O)(=O)C4)C(C)(C)C3)C3CC3)cc2)cc(C)n1,HRXAIFQJYSAQCK-UHFFFAOYSA-N
-rxn:2:106290:77356,CCN1CCC(n2cccc(NC(c3cccc(C)c3)C(C)CN3CCCCC3)c2=O)CC1,QECRMRONRMAVAO-UHFFFAOYSA-N
-rxn:2:106853:144085,CCN1CCc2c(cc(C(C)Nc3cccnc3N3CCC(COC)CC3)c(=O)n2C2CC2)C1,MNJWQMCAXTYESW-UHFFFAOYSA-N
-rxn:2:107666:105086,CC(C)C(N[C@H]1CC[C@@H](CN2CC(C)(F)C2)CC1)c1ccc2c(c1)CCCC2,UDZBWENYPFOGBH-FGZXBEKLSA-N
-rxn:2:108524:140820,CC1CCC(C(NC(c2ccccc2)C2(F)CCCCC2)C(C)C)CC1,XZBKSJJVZULFCN-UHFFFAOYSA-N
-rxn:2:108765:141918,CC(C)CN(C)C1(CNC2CCC3C2C3(F)F)CCCCC1,RINNGRNQOHPXGT-UHFFFAOYSA-N
-rxn:2:108781:151792,Cc1c(-c2ccc(S(C)(=O)=O)nc2)cccc1C(C)NCC1CN(C)C(C)CN1C1CC1,OIHKTOMUBPBXNS-UHFFFAOYSA-N
-rxn:2:108781:156762,Cc1cc(-c2ccc(S(C)(=O)=O)nc2)ccc1C(C)NCC1CN(C)C(C)CN1C1CC1,YCMQBKXFXSIBLO-UHFFFAOYSA-N
-rxn:2:109291:120702,CC(C)C1C(F)(F)C12CCC(NCCCN(C)C1CCCC1)CC2,LBRFNBFXZONQJG-UHFFFAOYSA-N
-rxn:2:109455:126600,Cc1ccc(C(C)Nc2cc(C)nc(C3C4CC5CC(C4)CC3C5)n2)c(OS(=O)(=O)F)c1,CEGWXPNVXNQLGU-UHFFFAOYSA-N
-rxn:2:109605:142768,Cc1ccc(C(C)C)cc1C(C#CN1CCCC1)Nc1c(C(C)C)c(C(C)C)n[nH]c1=O,XXLBSPBNGVNVEP-UHFFFAOYSA-N
-rxn:2:110003:144085,CCN1CCc2c(cc(C(C)Nc3ccc(N4CCC(N(C)C)CC4)nc3)c(=O)n2C2CC2)C1,JXTGEUHTMIVNGY-UHFFFAOYSA-N
-rxn:2:110254:111538,CC1CC(C)Oc2cc(C(C)N[C@H]3CC[C@H](OS(C)(=O)=O)CC3)ccc2O1,IUISMQCQLSXXHG-KQJZICLQSA-N
-rxn:2:111538:135476,CC1CC(C)Oc2cc(C(N[C@H]3CC[C@H](OS(C)(=O)=O)CC3)C3CC3)ccc2O1,IPTKXHCLHGQQSY-KEXGDBGISA-N
-rxn:2:111802:167512,CC(Nc1ccc(N2CCCN(C)CC2)nc1)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,NCRRWSJBLWGIQL-UHFFFAOYSA-N
-rxn:2:112123:158083,CCS(=O)(=O)c1cnc(NC(CC2=NCCO2)c2cc(OC)c(C)cc2OC)nc1C1CC1,VAEAWAITSCYHJW-UHFFFAOYSA-N
-rxn:2:113378:142953,Cc1ccc2ncc(-c3cccc4c3C(NOCC3CCN(C5CCS(=O)(=O)C5)CC3)CO4)cc2c1,SYEXCPGQFLKLEO-UHFFFAOYSA-N
-rxn:2:113378:143097,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cccc(-c2ccnc(N3CCN(C)CC3)c2)n1,ZATZNZFYRCMARC-UHFFFAOYSA-N
-rxn:2:113378:143452,Cc1cncc(-c2cccc3c2C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CO3)c1,IAYOLVOUAMMSNN-UHFFFAOYSA-N
-rxn:2:113378:144755,Cc1ccc(-c2ccc3c(c2)C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CO3)s1,GUEXWBRWRZVPMR-UHFFFAOYSA-N
-rxn:2:113378:145028,Cc1cc(-c2ccc3c(c2)C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CO3)cs1,XROZNEYHUIDSGW-UHFFFAOYSA-N
-rxn:2:113378:145413,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1cccc(-c2ccc(N3CCN(C)CC3)nc2)n1,GYUXFWJJSOIOAV-UHFFFAOYSA-N
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-rxn:2:113378:153439,Cc1ccc(-c2ccc(C(NOCC3CCN(C4CCS(=O)(=O)C4)CC3)C3CC3)cc2)o1,GOHWXPSQDYVAFF-UHFFFAOYSA-N
-rxn:2:113378:155252,Cc1nc2ccc(-c3ccc4c(c3)CCC4NOCC3CCN(C4CCS(=O)(=O)C4)CC3)cc2o1,MARQRIZBZMRUDN-UHFFFAOYSA-N
-rxn:2:113378:162854,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccc(N3CCN(C)CC3)nc2)cn1,AJLVLVSKBZIXGD-UHFFFAOYSA-N
-rxn:2:113378:168229,Cn1ccc2cc(-c3cccc4c3C(NOCC3CCN(C5CCS(=O)(=O)C5)CC3)CO4)ccc21,XOGCYENHWBPGTJ-UHFFFAOYSA-N
-rxn:2:113743:140202,CCO[C@@H]1C[C@@H](NC(C)c2ccc(OS(C)(=O)=O)cc2)C12CCOCC2,NGYIGMZPIMTPGY-KNHHTTPFSA-N
-rxn:2:114147:144270,CC(=O)c1cccc(C2C(CSC(C)NC[C@H]3C[C@@H](N(C)C)C3)C2(F)F)n1,JARUDUNSGIMFKL-VHWMCMCTSA-N
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-rxn:2:118146:133797,CC(C)OCC1CCC(NC2(c3ccccc3)CC[Si](C)(C)CC2)CC1,DLFSNWXUVQUYDN-UHFFFAOYSA-N
-rxn:2:119336:126600,Cc1ccc(C(C)NC2CCC2N2CCOC(C)C2)c(OS(=O)(=O)F)c1,XZAANFBLCHVAKE-UHFFFAOYSA-N
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-rxn:2:119754:124615,CCC1C(F)(F)C12CCC(NCC1CN(CCN(C)C)C1)CC2,FTVQLGWVIMYDAV-UHFFFAOYSA-N
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-rxn:2:121387:140202,CCOC1CC(NC(C)c2ccc(OS(C)(=O)=O)cc2)C12CCCCC2,MWENVDFCUQCSDP-UHFFFAOYSA-N
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-rxn:2:123025:144085,CCN1CCc2c(cc(C(C)Nc3ccncc3N3CCN(C)CC3)c(=O)n2C2CC2)C1,AOBPKACPMRTZAV-UHFFFAOYSA-N
-rxn:2:124355:144085,CCN1CCc2c(cc(C(C)Nc3cccnc3N3CCCC(C)C3)c(=O)n2C2CC2)C1,PZSNFEOQVYQJNE-UHFFFAOYSA-N
-rxn:2:124627:155159,CCc1c(C)nn(CC2CCC2)c1NC(CC1=NCCO1)c1ccc(S(C)(=O)=O)cc1,YYAHNZGJMNBDMG-UHFFFAOYSA-N
-rxn:2:125722:154474,CCc1ccc(N2CCC(OC)CC2)c(NC2CCc3c(-c4ccnc(N5CCOCC5)c4)cccc32)c1,QTAVUBKTGBVGSK-UHFFFAOYSA-N
-rxn:2:125981:147636,COc1cc(NC2c3cccc(OC)c3OCCC2CN2CCOCC2)ncc1S(C)(=O)=O,JKGVRSGIKFSXER-UHFFFAOYSA-N
-rxn:2:126600:165411,Cc1ccc(C(C)Nc2cc(C34CC5CC(CC(C5)C3)C4)[nH]c(=O)c2)c(OS(=O)(=O)F)c1,CSUONTQINLWQJL-UHFFFAOYSA-N
-rxn:2:126871:143097,CCCn1c2c(cc(C(C)NC(C)c3cccc(-c4ccnc(N5CCN(C)CC5)c4)n3)c1=O)CCCC2,DCYXAFGQMKIRBN-UHFFFAOYSA-N
-rxn:2:128736:167512,CC(Nc1cccnc1N1CCCN(C)CC1)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,NJENDBUXVNVARK-UHFFFAOYSA-N
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-rxn:2:130513:124477,Cc1ccc(S(=O)(=O)CC2CC(NCC3CC3c3csc(N4CCOCC4)n3)C2)cc1,GMOUWIOEFYENBN-UHFFFAOYSA-N
-rxn:2:130597:144085,CCN1CCc2c(cc(C(C)NC3CCCN(c4ncccc4C)C3)c(=O)n2C2CC2)C1,YDBPBLDGCPUFNL-UHFFFAOYSA-N
-rxn:2:130725:144085,CCN1CCc2c(cc(C(C)Nc3c(C)ccnc3N3CCCCC3)c(=O)n2C2CC2)C1,PNUMIARSFRBMLV-UHFFFAOYSA-N
-rxn:2:131050:144085,CCN1CCc2c(cc(C(C)NCc3cnccc3N3CCN(C)CC3)c(=O)n2C2CC2)C1,NHZSHDAAORVREJ-UHFFFAOYSA-N
-rxn:2:132243:102314,Cc1ccc(OCCN2CCC(NCc3ccnc(N4CCC(N(C)C)CC4)c3)CC2)c(C)c1,TXOWKERRVPZCBK-UHFFFAOYSA-N
-rxn:2:132651:144085,CCN1CCc2c(cc(C(C)Nc3ccc(N4CCCC(OC)C4)nc3)c(=O)n2C2CC2)C1,VRQGSSYXTPDGTM-UHFFFAOYSA-N
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-rxn:2:133271:122808,CCCC(NC1CCOC12CCN(C)CC2)c1ccc(S(C)(=O)=O)cc1,DFJOWRZNSWTJNR-UHFFFAOYSA-N
-rxn:2:133271:162583,CN1CCC2(CC1)OCCC2NC(c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1)C1CC1,RTKFNWNSZDKOJZ-UHFFFAOYSA-N
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-rxn:2:133474:144085,CCN1CCc2c(cc(C(C)NC3CCN(Cc4ccnn4C)CC3)c(=O)n2C2CC2)C1,OFSDQQHOEJHREN-UHFFFAOYSA-N
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-rxn:2:134227:155591,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NCCN3CCC4(CCCCO4)C3)nc2)nc1,FJMOIYFJXLBWPG-UHFFFAOYSA-N
-rxn:2:134281:162580,CCC(NCC1CC2(CCN(C)CC2)C1)c1ccc(N2CCS(=O)(=O)CC2)nc1,NDIIJOMVVAZFFH-UHFFFAOYSA-N
-rxn:2:135494:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCC3(CCCOC3)O2)cn1,FSVLGEVQGCTZON-UHFFFAOYSA-N
-rxn:2:136038:163343,CCOC1CCN(c2nc(C)ccc2CNC(C)c2ccc(OC)c(-c3cnc(N4CCCC4)nc3)c2)CC1,KVOLMBVFFFCVHX-UHFFFAOYSA-N
-rxn:2:136190:131189,CC1CCN(CC2CCCCCC2NCCN2CC[Si](C)(C)CC2)CC1,MYXZPXHUVXRLID-UHFFFAOYSA-N
-rxn:2:136348:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cnn(C3CCC3)c2CC2CCCC2)cn1,WIAYHCTYDZEQRN-UHFFFAOYSA-N
-rxn:2:138351:155971,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccnc(-c2ccnc(N3CCN(C)CC3)c2)c1,OOSDJSYOJCNOKH-UHFFFAOYSA-N
-rxn:2:138351:170071,Cc1cc(-c2cc3ccccc3n2C)c2c(c1)C(NCC1CCN(C3CCS(=O)(=O)C3)CC1)CCO2,XLHYUPMJFQVJIQ-UHFFFAOYSA-N
-rxn:2:138351:172617,Cc1cc(-c2ccc3occc3c2)c2c(c1)C(NCC1CCN(C3CCS(=O)(=O)C3)CC1)CCO2,UFSXTSRTUVXVHD-UHFFFAOYSA-N
-rxn:2:138363:155591,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NCC3CCN(C4CCCN(C)CC4)CC3)nc2)nc1,HKYMVTJSRFDLOR-UHFFFAOYSA-N
-rxn:2:138726:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1cccc(S(=O)(=O)OC2CCCC2)c1,OEDZMXVTGVMGAO-UHFFFAOYSA-N
-rxn:2:139606:143973,CN1CCCN(Cc2cc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)no2)CC1,CLLYTGRSBHZISY-UHFFFAOYSA-N
-rxn:2:140873:119889,CCC1CCCN(CC(NC2CCN(c3ccccc3COC)CC2)c2ccc(C)cc2)C1,NHQHTFNJPGZSOZ-UHFFFAOYSA-N
-rxn:2:141701:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cc(CC3CCCC3)nn2C2CCC2)cn1,VONBOYAKLVEUJH-UHFFFAOYSA-N
-rxn:2:142034:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCc1cnn(C2(C)CCS(=O)(=O)C2)c1,YRGZRBLMKOCAHP-UHFFFAOYSA-N
-rxn:2:146201:144085,CCN1CCc2c(cc(C(C)Nc3cc(C4CCCN(C)C4)nc4ccnn34)c(=O)n2C2CC2)C1,JJLGZLVCGMXLIB-UHFFFAOYSA-N
-rxn:2:147101:144085,CCN1CCc2c(cc(C(C)NC3CCN(c4cncc5c4cnn5C)CC3)c(=O)n2C2CC2)C1,REWACRAPRNJFPS-UHFFFAOYSA-N
-rxn:2:147896:153663,Cc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)n1NC1CCc2cc(-c3cnn(S(C)(=O)=O)c3)ccc21,WFNAGAUEQWSZPT-UHFFFAOYSA-N
-rxn:2:147971:144085,CCN1CCc2c(cc(C(C)Nc3ccc4[nH]nc(N5CCN(C)CC5)c4c3)c(=O)n2C2CC2)C1,YCDZGMXXMYKGKI-UHFFFAOYSA-N
-rxn:2:149414:144085,CCN1CCc2c(cc(C(C)Nc3ccc4c(c3)ncn4C3CCN(C)CC3)c(=O)n2C2CC2)C1,VSIHBJUCDZHKHG-UHFFFAOYSA-N
-rxn:2:150869:144085,CCN1CCc2c(cc(C(C)NC3CCN(c4nc5ccccc5n4C)CC3)c(=O)n2C2CC2)C1,IDRQSEYNDOFRPH-UHFFFAOYSA-N
-rxn:2:151078:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(Nc1cnc(C34CC5CC(CC(C5)C3)C4)[nH]c1=O)CC2,JWLNXKQXNCLSSH-UHFFFAOYSA-N
-rxn:2:152288:144085,CCN1CCc2c(cc(C(C)Nc3ccc4nc(N5CCCCC5)cc(C)c4c3)c(=O)n2C2CC2)C1,BLGYHLFWPNDUBS-UHFFFAOYSA-N
-rxn:2:153364:144085,CCN1CCc2c(cc(C(C)NCC3CCCN(c4cccc5c4ncn5C)C3)c(=O)n2C2CC2)C1,MYINUKAPQJSZFG-UHFFFAOYSA-N
-rxn:2:153636:144085,CCN1CCc2c(cc(C(C)NC3CCCN(c4nc5ccccc5n4C)C3)c(=O)n2C2CC2)C1,HGGAONUUFYPBHP-UHFFFAOYSA-N
-rxn:2:153663:153993,Cc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)n1NC1CCCc2c(-c3cnn(S(C)(=O)=O)c3)cccc21,VFVQNVUTEXDOFK-UHFFFAOYSA-N
-rxn:2:153663:158217,Cc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)n1NC1CCc2c(-c3cnn(S(C)(=O)=O)c3)cccc21,QNBIKVUMFCJCTJ-UHFFFAOYSA-N
-rxn:2:154590:144085,CCN1CCc2c(cc(C(C)NC3CC(c4nccc5c4ccn5C)CN(C)C3)c(=O)n2C2CC2)C1,MGFGOKVCQIMBCZ-UHFFFAOYSA-N
-rxn:2:155971:151345,CCn1c2c(cc(C(C)(C)NC(C)c3ccnc(-c4ccnc(N5CCN(C)CC5)c4)c3)c1=O)CN(C)CC2,UNWRIIYFVDXQLU-UHFFFAOYSA-N
-rxn:2:157491:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(Nc1c(C34CC5CC(CC(C5)C3)C4)cn[nH]c1=O)CC2,CSODLTQMEYBQTP-UHFFFAOYSA-N
-rxn:2:159568:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(Nc1cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c1)CC2,WQWMTZFFMQPQNX-UHFFFAOYSA-N
-rxn:2:160991:144085,CCN1CCc2c(cc(C(C)Nc3cccc4ccc(N5CCCC(C)C5)nc34)c(=O)n2C2CC2)C1,DOISUQXEERFASK-UHFFFAOYSA-N
-rxn:2:161737:144085,CCN1CCc2c(cc(C(C)Nc3ccc4nc(N5CCN(C)CC5)sc4c3)c(=O)n2C2CC2)C1,MXCRVYDNUUHJTO-UHFFFAOYSA-N
-rxn:2:162920:144085,CCN1CCc2c(cc(C(C)NC3CCN(C)C(c4c[nH]c5nc(C)ccc45)C3)c(=O)n2C2CC2)C1,MKMMXVQEUGNLBD-UHFFFAOYSA-N
-rxn:2:165261:144085,CCN1CCc2c(cc(C(C)NC3CCN(c4nccc5cc(C)ccc45)CC3)c(=O)n2C2CC2)C1,QGXVDTUIKMOTMQ-UHFFFAOYSA-N
-rxn:2:165717:136378,Cc1ccc2c(c(C)nn2C2CCCCO2)c1NC1CCN(CCOS(C)(=O)=O)CC1,IQNGOGOPPQBOAI-UHFFFAOYSA-N
-rxn:2:165721:144085,CCN1CCc2c(cc(C(C)Nc3c(N4CCCC(C)C4)ccc4scnc34)c(=O)n2C2CC2)C1,FMNFLDBXPAMGOH-UHFFFAOYSA-N
-rxn:2:167497:144085,CCN1CCc2c(cc(C(C)NC3CN(C)CCC3c3cn(C)c4cccnc34)c(=O)n2C2CC2)C1,WHHATYABNISHDZ-UHFFFAOYSA-N
-rxn:2:65991:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2c(C3CCC3)c(C3CC3)nn2C2CCCC2)cn1,BJNCFIXDMMYSPY-UHFFFAOYSA-N
-rxn:2:66038:122000,Cc1ccc([C@@H]2CC(NC3CCC(OS(C)(=O)=O)CC3)C[C@H](C)O2)s1,CUDDNHPLKLQJTK-MMRXQZHGSA-N
-rxn:2:66153:74461,CN1CCC2(CC1)Oc1ccccc1C2CNCc1ccc(CN2CCS(=O)(=O)CC2)o1,MIHQXILRDUWJAC-UHFFFAOYSA-N
-rxn:2:66407:152317,CCC(NC(C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2)c1ccc(N2CCN(C)CC2)nc1C,ZDQQVVLBJLLSHY-UHFFFAOYSA-N
-rxn:2:66994:144085,CCOCC1CCCCN1c1ncccc1NC(C)c1cc2c(n(C3CC3)c1=O)CCN(CC)C2,QKZAUSMBRZFPTN-UHFFFAOYSA-N
-rxn:2:67078:94533,CCN1CCN(CC(Nc2cccn(CCN3CCC(OC)C3)c2=O)c2ccn(C)c2)CC1,OKWJSMYEBDWAOP-UHFFFAOYSA-N
-rxn:2:67422:154346,CC1(C(NCC2CCN(C3CCN(c4ccccc4)C3)C2)c2cccc(S(C)(=O)=O)c2)CC1,MTCDEUMBEIFONI-UHFFFAOYSA-N
-rxn:2:69057:117825,CCOCC1CCCN(c2ncccc2NC(C)c2c(C(C)C)cc(C(C)C)[nH]c2=O)C1,BLADNTGQNRZGKL-UHFFFAOYSA-N
-rxn:2:69057:70422,CC(C)c1cc(C(C)C)c(C(C)NCc2cccnc2OCC2CCCN(C)C2)c(=O)[nH]1,YDVHNUOKAQSAPK-UHFFFAOYSA-N
-rxn:2:69207:134320,CC(COCC1CCCO1)NC1CCCCc2ccc(C(C)(C)C)cc21,MPRBDKWSYGOYIW-UHFFFAOYSA-N
-rxn:2:69256:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2c(C3CC3)c(C3CCC3)nn2C2CCCC2)cn1,QLFIOEOBGIJXFS-UHFFFAOYSA-N
-rxn:2:69927:110637,CN1CCC2(C1)Oc1ccccc1C2CNCCN1CCCS(=O)(=O)CC1,IJTNZGFAPUSQSX-UHFFFAOYSA-N
-rxn:2:69927:74461,CN1CCC2(C1)Oc1ccccc1C2CNCc1ccc(CN2CCS(=O)(=O)CC2)o1,WXIHZQURAMSPIE-UHFFFAOYSA-N
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-rxn:2:134930:147883,Cc1ccc(C(N(C)C)C2(CNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)COC2)cc1C,LHBLEMJEBPEKMG-UHFFFAOYSA-N
-rxn:2:136726:144085,CCN1CCc2c(cc(C(C)NCC3(N(C)Cc4cscn4)CCCCC3)c(=O)n2C2CC2)C1,RVAJLFLGZDFSKF-UHFFFAOYSA-N
-rxn:2:136758:160431,COc1nc(C#C[Si](C)(C)C)ccc1NC1CCCCCC1OS(=O)(=O)c1ccc(C)cc1,LSNFEWWPVAICNX-UHFFFAOYSA-N
-rxn:2:136851:147883,CCN1CCC(NC(C)c2cc3c(=O)[nH]c(N4CCOCC4)nc3nc2C)C(F)(F)C1,FQUFCVJFAJCREH-UHFFFAOYSA-N
-rxn:2:136923:147883,Cc1ccc(C(N(C)C)C2(CNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)CC2)c(C)c1,ITNZHTFMVNRFKD-UHFFFAOYSA-N
-rxn:2:137832:144936,COc1ccc(C(NCC2C(F)(F)C23CCOCC3)c2cnc(/N=C/N(C)C)s2)cc1,HZPJUFUVYQWMCM-MZJWZYIUSA-N
-rxn:2:137832:151346,COc1ccc(C(NCC2C(F)(F)C23CCOCC3)c2cnc(N=CN(C)C)s2)cc1,HZPJUFUVYQWMCM-UHFFFAOYSA-N
-rxn:2:138407:163277,COc1cc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)OC2)cc(C2CCCCC2)c1,GWVCDSBEBWPEKZ-UHFFFAOYSA-N
-rxn:2:139131:163277,CCC1CCCC(c2ccc(NC3CCC(COS(=O)(=O)c4ccc(C)cc4)OC3)cc2)C1,HGQAMTHLZJYPFJ-UHFFFAOYSA-N
-rxn:2:140524:166041,COc1cc2c(cc1NC1CCC(COS(=O)(=O)c3ccc(C)cc3)CC1)OCCCO2,FLKNFMHNOQZZHO-UHFFFAOYSA-N
-rxn:2:140871:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCCC1C(c2ccc(N(C)C)cc2)C1(F)F,KLNLBRKATQEPSF-UHFFFAOYSA-N
-rxn:2:141002:160431,COc1sc(SC)cc1CC(C)NC1CCCCCC1OS(=O)(=O)c1ccc(C)cc1,QDHMKYFOZZFAGH-UHFFFAOYSA-N
-rxn:2:143709:169915,COS(=O)(=O)c1c(NC2CCOc3cc(-c4cnn(C5CCCCO5)c4)ccc32)n(C)c(=O)n(C)c1=O,HAKXIQBCQLEQMH-UHFFFAOYSA-N
-rxn:2:143973:152744,Cc1ccc2oc([C@H]3CC[C@H](CNC4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)CC3)nc2c1,MHEIAWNRNAXRHN-MXVIHJGJSA-N
-rxn:2:144940:85544,CCOc1ccc(C(C)Nc2ccc3ccnc(N4CCN(C)CC4)c3c2)cc1CN1CCOCC1,OUHZKEXUFXLPQY-UHFFFAOYSA-N
-rxn:2:145498:90924,CCC1CCN(CC(Nc2ccc3c(c2)c(OCC2CCCC2)nn3C)c2ccn(C)c2)CC1,ADLQUUBNUQRNFN-UHFFFAOYSA-N
-rxn:2:145930:83584,CC(Nc1ccc2c(c1)ncn2CC1CCN(C)CC1)c1cnccc1OCCN1CCCCC1,NFUKQWVYHKRSBZ-UHFFFAOYSA-N
-rxn:2:146406:140318,COc1cccc(-c2ccc(C(C)NC3CCCCC3OS(C)(=O)=O)c3c2OCO3)c1C,FQJOMTMUJKFJJA-UHFFFAOYSA-N
-rxn:2:153663:164871,Cc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)n1NC1COc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc21,MMIIQQDTXRKYMG-UHFFFAOYSA-N
-rxn:2:153663:166901,Cc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)n1NC1COc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc21,HMVPEDBYRIWMNR-UHFFFAOYSA-N
-rxn:2:153663:168895,Cc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)n1NC1COc2cc(-c3cccc(S(C)(=O)=O)c3)ccc21,QHGLEDMELLDXFT-UHFFFAOYSA-N
-rxn:2:160345:157599,COc1ccc2c(c1)C(NCCC1CC1c1ccc3cccnc3c1C)CC1(CCS(=O)(=O)CC1)O2,WFPCPVUTLLZDGQ-UHFFFAOYSA-N
-rxn:2:163503:80610,CC(CCCCN1CCCN(C)CC1)NCC(c1ccc2c(c1)OCO2)c1nnn(C)n1,WLSPXLZRZVHEEB-UHFFFAOYSA-N
-rxn:2:165509:109227,CC(CCCC1CCCN(C)C1)Nc1ccc2c(c1)c(OCC1CCCO1)nn2C,VFBKHQXWRNOKRU-UHFFFAOYSA-N
-rxn:2:165509:90924,CCC1CCN(CC(Nc2ccc3c(c2)c(OCC2CCCO2)nn3C)c2ccn(C)c2)CC1,BFYVHHVPTQCOCR-UHFFFAOYSA-N
-rxn:2:167103:144085,CCN1CCc2c(cc(C(C)NC3CCCC3N(C)Cc3ccc4ncoc4c3)c(=O)n2C2CC2)C1,ROQKHAQYBIDSSV-UHFFFAOYSA-N
-rxn:2:168587:88564,CCCc1cccc(-n2[nH]c(=O)cc2CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])n1,SDRQGKJYOUYOJM-UHFFFAOYSA-M
-rxn:2:66090:129334,CN(C)CCN1CCC(C)(C)C(CNC2CCC23CC(F)(F)C3)C1,ILQNUVGDAGXEND-UHFFFAOYSA-N
-rxn:2:66737:68836,CN1CCCC(N(C)C2(CNC3CC4C(C3)C3CN(C)CC4C3(F)F)CCSC2)C1,RZFQHEPKZRILBC-UHFFFAOYSA-N
-rxn:2:67474:114453,CCC1C(F)(F)C12CCC(NC1CCCc3c1ccn3CC(C)(C)CN(C)C)CC2,IBHJXWMGKDBMEC-UHFFFAOYSA-N
-rxn:2:67548:108224,CC(C)c1nc(CCN(C)C)sc1C(C)NCC1(F)CCC2(CC2)C1,USRJXKHCSMTPIK-UHFFFAOYSA-N
-rxn:2:68165:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC1CCCCC1CN(C)Cc1cccs1,VJGNHAHAEXYZQQ-UHFFFAOYSA-N
-rxn:2:68244:144085,CCN1CCc2c(cc(C(C)NCC(F)(F)CN3CCOC(C)C3)c(=O)n2C2CC2)C1,QJCDLZDSARATFH-UHFFFAOYSA-N
-rxn:2:68329:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)Cc2ccoc2)CCCC(C)C1,MVNMTSOAHHSVGN-UHFFFAOYSA-N
-rxn:2:69403:163337,CCOc1ccccc1-c1cc(C(C)NCC2(N(C)C3CCOCC3)CCSC2)c(=O)[nH]n1,CMPSWVHIUMQVKF-UHFFFAOYSA-N
-rxn:2:69405:144085,CCN1CCc2c(cc(C(C)NCCC3C(c4ccnn4C)C3(F)F)c(=O)n2C2CC2)C1,QXJSEUPHHJRMHX-UHFFFAOYSA-N
-rxn:2:69674:153696,CCCC(N[C@H]1CC[C@H](CN2CCC(F)(F)C2)CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,IGYDCWMOHNNCIO-JJBJMKLMSA-N
-rxn:2:69933:171741,CC(NCCCC1CCCN(C)CC1)c1csc(-c2cccc(CN3CCCCC3)c2)c1,JSEDGCPZSAKINY-UHFFFAOYSA-N
-rxn:2:70031:108398,CCc1cc(NC(COCC2CCOCC2)c2ccn(C)c2)ccc1N1CCN(C)CC1,CSHHJDVOEVGVQQ-UHFFFAOYSA-N
-rxn:2:70666:153696,CCCC(NC1CCC(C)CC1N(C)C(C)C1CC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,NZFYYYFXBYPPQQ-UHFFFAOYSA-N
-rxn:2:70666:168363,Cc1ccc(-c2cc(C(C)NC3CCC(C)CC3N(C)C(C)C3CC3)c(=O)[nH]n2)c(C)c1,APZHZKTZSOCOES-UHFFFAOYSA-N
-rxn:2:70953:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC1CCOCC1N(C)CCc1ccccn1,XXOGDELOZKIZHG-UHFFFAOYSA-N
-rxn:2:71075:144085,CCN1CCc2c(cc(C(C)NCC(F)(F)c3cn(C(C)C)nc3C)c(=O)n2C2CC2)C1,OXBFEGRHLIZHCO-UHFFFAOYSA-N
-rxn:2:71091:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)N[C@@H]1CC[C@@H](N(C)C)C(F)C1,PTBOHEYKXZBYCG-USVIQLHUSA-N
-rxn:2:71722:114309,CC(C)C1C(F)(F)C12CCC(NC(CN1CCN(C)CC1)c1cccn1C)CC2,NWNOEGYHPBOFTJ-UHFFFAOYSA-N
-rxn:2:71722:149311,CC(C)C1C(F)(F)C12CCC(NCC(c1ccc3c(c1)ncn3C)N(C)C)CC2,KEMDOOLWZLPHDQ-UHFFFAOYSA-N
-rxn:2:71722:154947,CC(C)C1C(F)(F)C12CCC(NC(CN1CCC(N(C)C)CC1)c1c[nH]c3ccccc13)CC2,XPWJAINPXXSEEC-UHFFFAOYSA-N
-rxn:2:71722:168373,CC(C)C1C(F)(F)C12CCC(NC1CCC(N(C)c3ccc4c(c3)ncn4C)CC1)CC2,WNRZZTUFDHIXPO-UHFFFAOYSA-N
-rxn:2:71853:164704,COc1cc([C@@H](NC2CCCCC2OS(=O)(=O)c2ccc(C)cc2)C2CC2)cc2c1OCO2,JVYCUFHGMQRQBK-VUNKPPBISA-N
-rxn:2:72406:147883,Cc1ccc(C(N(C)C)C2(CNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)CCC2)cc1C,NULJYDLHJQXTQR-UHFFFAOYSA-N
-rxn:2:72574:109100,CC1CCC(NCC2C(F)(F)C23CCCC3)C(CN(C)Cc2nccn2C)C1,QQQGIAHDUQVTKC-UHFFFAOYSA-N
-rxn:2:72574:83031,CC1CCC(NC2C(F)(F)C23CCC3)C(CN(C)Cc2nccn2C)C1,OPFPAPKYQACIHZ-UHFFFAOYSA-N
-rxn:2:72611:120702,CC(C)C1C(F)(F)C12CCC(NC1CC(C(c3ccncc3)N(C)C)C1)CC2,GKIWLWNNTSQKSI-UHFFFAOYSA-N
-rxn:2:72660:147636,COc1cc(S(=O)(=O)C2CC2)cnc1NC1c2cccc(OC)c2OCCC1CN1CCOCC1,MOAOBDSXSHXPNB-UHFFFAOYSA-N
-rxn:2:73500:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(C(c2cccs2)N(C)C)COC1,HTZMKZIJLUFOEL-UHFFFAOYSA-N
-rxn:2:73657:149248,COCC1C(F)(F)C12CCC(NC(C)c1c(/N=C/N(C)C)nc(C)nc1-c1ccccc1)CC2,SJUOMBOOVIKHOO-MUFRIFMGSA-N
-rxn:2:73657:149666,COCC1C(F)(F)C12CCC(NC(C)c1c(N=CN(C)C)nc(C)nc1-c1ccccc1)CC2,SJUOMBOOVIKHOO-UHFFFAOYSA-N
-rxn:2:76057:166857,Cc1ccc(C(CSc2n[nH]c(=O)[nH]c2=O)NCC2(CN(C)C3CCS(=O)(=O)C3)CCC2)cc1,KGKBDMRIVLWOSG-UHFFFAOYSA-N
-rxn:2:77215:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NCC1(N(C)Cc2ccco2)CCC(C)CC1,HEQQCPFTBGUDOU-UHFFFAOYSA-N
-rxn:2:77250:144936,COc1ccc(C(NCC2CCC3(CCC(F)(F)CC3)O2)c2cnc(/N=C/N(C)C)s2)cc1,FWETZIGCJUYBHQ-MUFRIFMGSA-N
-rxn:2:77250:151346,COc1ccc(C(NCC2CCC3(CCC(F)(F)CC3)O2)c2cnc(N=CN(C)C)s2)cc1,FWETZIGCJUYBHQ-UHFFFAOYSA-N
-rxn:2:77594:81549,CC(CCc1csc(C2CCN(C)CC2)n1)NC(C)c1cccc(C23CCN(C)CC2C3)c1,GKFBLWUGAFMRTR-UHFFFAOYSA-N
-rxn:2:77649:106196,CC(Nc1cccnc1OCC1CCN(C)C1)c1cnccc1OCCN1CCOCC1,GAYZFHDDGDXQBC-UHFFFAOYSA-N
-rxn:2:77649:164545,CC(Nc1cccnc1OCC1CCN(C)C1)c1ccc2c(c1)CCCN2CCN1CCOCC1,TXWPISJZWQCFMP-UHFFFAOYSA-N
-rxn:2:78219:90528,CCC(Nc1cccnc1OCCN1CCOCC1)c1cnc(N2CCOCC2)cc1C,UEWAYHWQHMLBCZ-UHFFFAOYSA-N
-rxn:2:78524:109152,CN(C)CCN1CCC(NCC2C(F)(F)C23CCC3)C(C)(C)C1,RDQLMUZZRIDLDY-UHFFFAOYSA-N
-rxn:2:79124:143250,Cc1nc2c(cc1C(C)NCC1(S(=O)(=O)C3CCCC3)COC1)c(=O)[nH]c(=O)n2Cc1ccco1,QLXPAAIWWBPKDU-UHFFFAOYSA-N
-rxn:2:79124:148922,CC(NCC1(S(=O)(=O)C2CCCC2)COC1)c1sccc1-c1ccnc(S(C)(=O)=O)n1,LERDFBYTYGTCNE-UHFFFAOYSA-N
-rxn:2:79124:155721,CCS(=O)(=O)c1ccc(-c2cccnc2C(C)NCC2(S(=O)(=O)C3CCCC3)COC2)cc1,KOUDJCQXJSIBQI-UHFFFAOYSA-N
-rxn:2:79124:156809,CC(NCC1(S(=O)(=O)C2CCCC2)COC1)c1ncccc1-c1ccc(S(C)(=O)=O)nc1,NLWBSTSAWFMJAR-UHFFFAOYSA-N
-rxn:2:79124:165217,CS(=O)(=O)n1cc(-c2cccc3c2C(NCC2(S(=O)(=O)C4CCCC4)COC2)CO3)cn1,XZFDZYPOZBQCBJ-UHFFFAOYSA-N
-rxn:2:79194:144085,CCN1CCc2c(cc(C(C)NCCC3C(c4cnn(C)c4C)C3(F)F)c(=O)n2C2CC2)C1,VRSHQSXRJNBBAZ-UHFFFAOYSA-N
-rxn:2:79466:143818,CC1CCCC(N(C)C(CNC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)c2ccccn2)C1,DZKOZGMLJDDVRG-UHFFFAOYSA-N
-rxn:2:79800:78408,CS(C)(=O)=NS(=O)(=O)CCNC1CCC(C2(c3cccnc3)COC2)CC1,XGQCBTGHRQEGFJ-UHFFFAOYSA-N
-rxn:2:79800:80088,CS(C)(=O)=NS(=O)(=O)CCNC(CC1=NCCO1)c1ccc2c(c1)OCO2,STIGAONNAMNCOO-UHFFFAOYSA-N
-rxn:2:80137:149248,Cc1nc(/N=C/N(C)C)c(C(C)NOCC2CC3(C2)CC(F)(F)C3)c(-c2ccccc2)n1,MOJRSEDOXKIOCF-JFLMPSFJSA-N
-rxn:2:80137:149666,Cc1nc(N=CN(C)C)c(C(C)NOCC2CC3(C2)CC(F)(F)C3)c(-c2ccccc2)n1,MOJRSEDOXKIOCF-UHFFFAOYSA-N
-rxn:2:81079:152807,COS(=O)(=O)c1ccc(-c2ccsc2C(C)NCC2CN(C)CC2C2CCOC2)cc1,MNVSRFVKJDBHNP-UHFFFAOYSA-N
-rxn:2:81793:114498,CCC(CN1CCC(N(C)C)CC1)Nc1ccc(OCCN(C)C)nc1,SCGUEVXJUWRRTB-UHFFFAOYSA-N
-rxn:2:81841:150238,COc1cc([C@H](NC2CCCC2OS(=O)(=O)c2ccc(C)cc2)C2CC2)cc2c1OCO2,USPWSMVFXPPXDX-YABDQXBESA-N
-rxn:2:82054:150361,CCn1c(=O)cc(N2CC[C@H](NC3CCCC3(C)COS(=O)(=O)c3ccc(C)cc3)C2)[nH]c1=O,VERFJZVBVDHQQU-ZGIGLSJSSA-N
-rxn:2:82054:164678,CCn1c(=O)cc(N2CC[C@H](NC3CCC(OS(=O)(=O)c4ccc(C)cc4)CC3)C2)[nH]c1=O,BOSMIXPSPYDMMM-XBMUEBEBSA-N
-rxn:2:82096:153696,CCCC(NCC1(N(C)C2CC2)CCCCC1C)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,KKEJNVIXNJZWRV-UHFFFAOYSA-N
-rxn:2:82920:142218,CCC(C)CN(C)CC1CC(C)CCC1Nc1cc([C@@H]2C[C@H]2F)[nH]n1,XNZUJGJMWPVFOW-CKMBUZLOSA-N
-rxn:2:83028:124930,CC(CN1CCC(N(C)C)CC1)NC(C)c1ccc2c(c1)C(F)(F)CC2,HTTIBHFEZPSPND-UHFFFAOYSA-N
-rxn:2:83361:168480,COc1cc(C(C)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)ccc1OC1CCCCCC1,MPIBTZXSCSWOBR-UHFFFAOYSA-N
-rxn:2:83463:147883,Cc1ccc(C)c(C(N(C)C)C2(NC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)CC2)c1,SKZJOSFKLIIUGE-UHFFFAOYSA-N
-rxn:2:84410:117066,CC(NC1CC2CCC(C1)N2CC1CCCOC1)c1ccc(OS(=O)(=O)[O-])cc1,WUFLRRRVZXHACD-UHFFFAOYSA-M
-rxn:2:84499:147883,Cc1ccc(C(N(C)C)C2(CNC(C)c3cc4c(=O)[nH]c(N5CCOCC5)nc4nc3C)COC2)cc1,YFNXCQHQDKCXAY-UHFFFAOYSA-N
-rxn:2:84943:109152,CN(C)CCN1CCC(NCC2C(F)(F)C23CC3)C(C)(C)C1,JMIPPVLLCOXYBP-UHFFFAOYSA-N
-rxn:2:84943:99520,CCC(C)CN(C)CC1CCCCCC1NCC1C(F)(F)C12CC2,WODLZCCPSKNXRY-UHFFFAOYSA-N
-rxn:2:85307:118572,CCS(=O)(=O)C(CNC(CCN1CCCC1)c1ccc(C)cc1)C1CCCCC1,QWEMZQLXUNCWIK-UHFFFAOYSA-N
-rxn:2:85922:153696,CCCC(NCC1(N(C)C(C)CC)CCCCC1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,VMCUKDRPMMBNLB-UHFFFAOYSA-N
-rxn:2:87172:105940,CN1CCC(N(C)CC(NCC2CC(F)(F)C23CCC3)c2cccn2C)CC1,MPCYOONFSWCYFH-UHFFFAOYSA-N
-rxn:2:88341:142705,O=c1[nH]c(=O)n(C2CCCCC2)cc1CNC1CCCCC1CCS(=O)(=O)c1ccccc1,BMKVNYSIGIOXEG-UHFFFAOYSA-N
-rxn:2:88607:153696,CCCC(NCC1(N(C)C)CCN(C2CCCCCC2)C1)c1ccc(-c2c[nH]c(=O)c3ncn(C)c23)cc1,SOQQEUQRNYAZHL-UHFFFAOYSA-N
-rxn:2:88633:88938,CC(C)C(NOCC1CN(C)CCO1)c1cnc(N2CCOCC2)s1,ZHILNVXNSKSXHR-UHFFFAOYSA-N
-rxn:2:89202:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1ccc(S(=O)(=O)CC2CCCO2)cc1,HZULHEPVGPRQGH-UHFFFAOYSA-N
-rxn:2:89697:104086,CC(C)c1cc(C(C)NCC2(C)CC(N(C)C)CC(C)(C)C2)n(C)n1,SYKDWXFGZODYQQ-UHFFFAOYSA-N
-rxn:2:89864:166041,COC1COc2ccc(NC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)cc2OC1,TUTFOKAVLOMLQH-UHFFFAOYSA-N
-rxn:2:91308:118922,CCC(NC(CC)C(C)N(C)C1CCCCCC1)C1CCC(F)(F)CC1,DSLWCUZSTKJSGF-UHFFFAOYSA-N
-rxn:2:91771:117066,CC(NOCC1CCCCN1CC1CCCO1)c1ccc(OS(=O)(=O)[O-])cc1,KELKYQHHVOMUGT-UHFFFAOYSA-M
-rxn:2:91771:143151,CC(NOCC1CCCCN1CC1CCCO1)c1sccc1-c1ccc(S(C)(=O)=O)cc1,DBKHHBXGMFZXLU-UHFFFAOYSA-N
-rxn:2:92479:150238,CCN1CCC[C@H](CNC2CCCC2OS(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccs1,JHOAPAJJRFROMA-DKCHYQOTSA-N
-rxn:2:92479:160431,CCN1CCC[C@H](CNC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccs1,IPECPBXTOSFXIP-HADCUBCGSA-N
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-rxn:1:62297:28706,O=c1ccn(C2CC(n3cc(-c4cccnc4N4CCC(F)(F)C4)nn3)C(COP(=O)(O)O)O2)c(=O)[nH]1,ZSOYOBCPZQBUEJ-UHFFFAOYSA-N
-rxn:1:62297:28766,NCC1C(c2ccc(OCc3cn(C4CC(n5ccc(=O)[nH]c5=O)OC4COP(=O)(O)O)nn3)cc2)C1(F)F,IGDAOEXVXJAWHI-UHFFFAOYSA-N
-rxn:1:62297:28845,O=CCC1C(c2cccc(-c3cn(C4CC(n5ccc(=O)[nH]c5=O)OC4COP(=O)(O)O)nn3)c2)C1(F)F,MDRUDNJOEXFJFX-UHFFFAOYSA-N
-rxn:1:62297:29720,O=C(c1cccc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1)N1CCC(F)(F)C1,FVBABMPCUFVIDK-UHFFFAOYSA-N
-rxn:1:62297:33733,CN1CCC[C@@H]1C(=O)Nc1ncc(Br)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,MRSBSAWGZHRFMT-FIXVGMIGSA-N
-rxn:1:62297:4637,N#CC(NCc1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1)c1cc(Cl)c2c(c1)OCO2,XDBJQOYYIURHGQ-UHFFFAOYSA-N
-rxn:1:62297:5156,CCCC(Cc1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1)c1ccc(C)c(Br)c1,PCQYCOBVNYZAEF-UHFFFAOYSA-N
-rxn:1:62297:5158,CCCC(Cc1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1)c1c(F)cccc1Cl,IPLYHBLKWZTAHN-UHFFFAOYSA-N
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-rxn:1:62297:580,O=c1ccn(C2CC(n3cc(CC(C4CCCC4)n4cc(-c5ncnc6[nH]ccc56)cn4)nn3)C(COP(=O)(O)O)O2)c(=O)[nH]1,BWFPYTWISAPFCU-UHFFFAOYSA-N
-rxn:1:62297:9410,O=C(NCc1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1)c1c[nH]c2c(F)ccc(F)c2c1=O,ONZLBJMOLXWVLH-UHFFFAOYSA-N
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-rxn:1:62297:9580,O=C(NCc1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1)c1c[nH]c2c(Cl)ccc(Cl)c2c1=O,CKYGAHSOTXGMDX-UHFFFAOYSA-N
-rxn:1:62299:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(-c2ccnc3[nH]ncc23)nn1,HNOPAFUUOUJYMM-UHFFFAOYSA-M
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-rxn:1:62363:12218,CS(=O)(=O)N1C[C@@H](F)[C@H](c2cn([C@H]3[C@H](O)[C@@H](n4ccc(=O)[nH]c4=O)O[C@H]3CO)nn2)C1,LTDNOADFSVSOOP-LQZKFIQQSA-N
-rxn:1:62393:6242,NC1CCN(c2cc(-c3cn(-c4ccc([N+](=O)[O-])c(C(=O)ON5C(=O)CCC5=O)c4)nn3)ncn2)CC1,FPRUVTGYZLKDSV-UHFFFAOYSA-N
-rxn:1:62431:23477,O=S1(=O)CCC2(CC1)CNCC2Cn1cc(CN2C=Nc3ncc(Br)cc3S2(=O)=O)nn1,IFGHZEJITRPDCV-UHFFFAOYSA-N
-rxn:1:63067:17656,CCCc1cc(-c2cn(CC3CC(=O)N(CC4(N(C)C)CCOCC4)C3)nn2)nn1CC(F)(F)F,UOEPEDGARSWJKH-UHFFFAOYSA-N
-rxn:1:64116:34723,CC1=NOC(=O)C1=Cc1ccc(OCc2cn(CCN3CCC(N(C)C)C3)nn2)c(Br)c1,NOGPEIRQOLVDOQ-UHFFFAOYSA-N
-rxn:1:64162:11170,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(Cc3ccc(N4CCCC4)cc3)C2)nn1)S(=O)(=O)c1cccs1,HIKHJOZMGHCWPQ-UHFFFAOYSA-N
-rxn:1:64163:11170,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(Cc3ccc(N4CCCCC4)cc3)C2)nn1)S(=O)(=O)c1cccs1,MGDWHUMNPUSPON-UHFFFAOYSA-N
-rxn:1:64651:7598,C[C@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@H]1CC[C@@]2(O)c1cn(S(=O)(=O)c2ccc(Cl)cc2)nn1,VNQQLJSFCKJQLK-UEHCNWKZSA-N
-rxn:1:64734:13997,C[Si](C)(C)CCOn1cc(-c2cn(CC3CC(=O)N(c4ccc(N5CCOCC5)cn4)C3)nn2)cn1,HVRHFSZITGGWKP-UHFFFAOYSA-N
-rxn:1:65058:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4ncnc5[nH]cc(I)c45)C3)nn1)c1cc(OC)c(OC)cc1N2,ODCJWDCGZFUCHK-UHFFFAOYSA-N
-rxn:1:65060:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4ccnc5ccc(Br)cc45)C3)nn1)c1cc(OC)c(OC)cc1N2,RABDMEGWLPRDNS-UHFFFAOYSA-N
-rxn:1:65087:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4nc(Cl)nc5ccsc45)C3)nn1)c1cc(OC)c(OC)cc1N2,OOCZBNIVAPBYHC-UHFFFAOYSA-N
-rxn:1:65090:6199,CC(C)(C)OC(=O)N1CCCN(c2cc(-c3cn(S(=O)(=O)c4cccc5c4N=S=N5)nn3)ncn2)CC1,PGIGNQOOCSSGGV-UHFFFAOYSA-N
-rxn:1:65423:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4nc(-c5sccc5Br)cs4)C3)nn1)c1cc(OC)c(OC)cc1N2,UTOOLWUPARDZKB-UHFFFAOYSA-N
-rxn:1:65424:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4nc(-c5cccc(Br)c5)cs4)C3)nn1)c1cc(OC)c(OC)cc1N2,IVPSVCORYFEPOW-UHFFFAOYSA-N
-rxn:1:65482:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4nc5c(F)cccc5s4)C3)nn1)c1cc(OC)c(OC)cc1N2,LHSHRUXWZFTZEA-UHFFFAOYSA-N
-rxn:1:65484:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4nc5cc(Br)ccc5s4)C3)nn1)c1cc(OC)c(OC)cc1N2,VNMKYOWTBFBUHW-UHFFFAOYSA-N
-rxn:1:65486:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4nc5cc(Cl)ccc5s4)C3)nn1)c1cc(OC)c(OC)cc1N2,QRMUZQCLJLFXJT-UHFFFAOYSA-N
-rxn:1:65489:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4nc5ccc(Br)cc5o4)C3)nn1)c1cc(OC)c(OC)cc1N2,NLTGQJBCQMKOBS-UHFFFAOYSA-N
-rxn:1:65496:35756,CC1(CC(=O)Nc2ncc(Br)cc2-c2cn(CC3CC(=O)N(c4nc5ccc([N+](=O)[O-])cc5s4)C3)nn2)OCCO1,PWETZHGOMCMWSF-UHFFFAOYSA-N
-rxn:1:65498:31640,COCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(-c3cn(CC4CC(=O)N(c5nc6ccccc6o5)C4)nn3)cccc2c1,DPHHBNGKBAXMBE-UHFFFAOYSA-N
-rxn:1:65550:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4nccnc4Cl)C3)nn1)c1cc(OC)c(OC)cc1N2,NZTHNNNIIZGIIN-UHFFFAOYSA-N
-rxn:1:65569:9825,CCN1CCC2(CC1)CN(Cc1cn(CC3CC(=O)N(c4nc5cc(Br)ccn5n4)C3)nn1)c1cc(OC)c(OC)cc1N2,RTTXHTHBNMTALV-UHFFFAOYSA-N
-rxn:1:65725:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3cnc(Cl)nc3)nn1)c1cc(OC)c(OC)cc1N2,LNEZJUVYDURXFF-UHFFFAOYSA-N
-rxn:1:65757:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3cccc(Cl)n3)nn1)c1cc(OC)c(OC)cc1N2,MXXFONXQBLNLBQ-UHFFFAOYSA-N
-rxn:1:65764:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3ccc(F)cn3)nn1)c1cc(OC)c(OC)cc1N2,IIOBNDOIODKCIM-UHFFFAOYSA-N
-rxn:1:65766:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3cccnc3Cl)nn1)c1cc(OC)c(OC)cc1N2,QTGVKULJBYAVDB-UHFFFAOYSA-N
-rxn:1:65771:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3ccncc3Cl)nn1)c1cc(OC)c(OC)cc1N2,JFWIHYDKQOHXPY-UHFFFAOYSA-N
-rxn:1:65772:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3ccncc3F)nn1)c1cc(OC)c(OC)cc1N2,BGQSNOGBTXBDAI-UHFFFAOYSA-N
-rxn:1:65775:9825,CCN1CCC2(CC1)CN(Cc1cn(CC=Cc3ccnc(F)c3)nn1)c1cc(OC)c(OC)cc1N2,FIZIONMENLRGGH-UHFFFAOYSA-N
-rxn:1:6846:59779,COC(=O)c1cn(Cc2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)nc1-c1ccsc1,SMXKQGKQMAIPFE-UHFFFAOYSA-N
-rxn:1:6921:59779,COC(=O)c1cc(-c2ccsc2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,GVQUMGZPDWOALG-UHFFFAOYSA-N
-rxn:1:7598:59013,C[C@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@H]1CC[C@@]2(O)c1cn(S(=O)(=O)c2ccccc2F)nn1,RTSMUYCBJYENEW-VGSDRZRQSA-N
-rxn:1:8150:59777,Nc1nccc(C2CN(C(=O)c3cn(C4CCCN(S(=O)(=O)N5CCCC5)C4)nn3)C2)n1,YXTCQLLRBDJRJH-UHFFFAOYSA-N
-rxn:1:10117:49479,Cc1nc2scc(-c3ccc4c(c3)CCCC4)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCC3)CC2)nn1,GIAVKXPGFOTTHL-UHFFFAOYSA-N
-rxn:1:10117:59803,Cc1nc2scc(-c3ccc4c(c3)CCCC4)c2c(=O)n1Cc1cn(CC2CCCN2S(=O)(=O)N2CCCC2)nn1,OZQTWOJOVSYXIG-UHFFFAOYSA-N
-rxn:1:10165:59779,CC(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,XLBMFPZFGLDGOF-UHFFFAOYSA-N
-rxn:1:10166:49480,CC(C)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCOCC3)CC2)nn1,BUSLISASKROOQY-UHFFFAOYSA-N
-rxn:1:10166:59779,CC(C)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,BSVGYJBSGSGLCY-UHFFFAOYSA-N
-rxn:1:10166:59780,CC(C)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,RQMVBAZUCIHUJV-UHFFFAOYSA-N
-rxn:1:10179:59780,CC(C)c1nc2scc(-c3cccs3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,LXXNIWFEUXOTJL-UHFFFAOYSA-N
-rxn:1:10209:49466,CCc1nc2scc(-c3ccc(C)c(C)c3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,AUZNCKOCVBMLFA-UHFFFAOYSA-N
-rxn:1:10209:59779,CCc1nc2scc(-c3ccc(C)c(C)c3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,COSROLASLBZEKT-UHFFFAOYSA-N
-rxn:1:10225:49464,CCc1nc2scc(-c3ccc4c(c3)CCCC4)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)C3CC3)CC2)nn1,ZNBRUZNPGURYQT-UHFFFAOYSA-N
-rxn:1:10225:49479,CCc1nc2scc(-c3ccc4c(c3)CCCC4)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCC3)CC2)nn1,CEFCVNPEXMBPMI-UHFFFAOYSA-N
-rxn:1:10229:59779,CCc1nc2sc(C)c(-c3cccs3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,BBCLLYWVIJFWOY-UHFFFAOYSA-N
-rxn:1:10264:49479,CCCc1nc2scc(-c3ccc4c(c3)CCCC4)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCC3)CC2)nn1,VHFXVEWTGSPTSU-UHFFFAOYSA-N
-rxn:1:15643:59729,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(n2cc(-c3cn(C4CCSC4)nc3C(F)F)nn2)C1,TZXJXMDFLWHVDB-UHFFFAOYSA-N
-rxn:1:16597:49472,COc1ccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)c5ccc(F)cc5C)CC4)nn3)c2C2CCCC2)cc1OC,GQNLAWIRBPNRIH-UHFFFAOYSA-N
-rxn:1:16681:59803,N#Cc1cnn(-c2ccc(-c3cn(CC4CCCN4S(=O)(=O)N4CCCC4)nn3)cc2)c1CC1CCC1,VUJRXBULNOWYFM-UHFFFAOYSA-N
-rxn:1:16730:59718,Cc1nc(S(=O)(=O)N2CCCC(n3cc(COc4ccc(-n5ncc(I)c5C5CCCCC5)cc4)nn3)C2)cn1C,OTYSUYJLBJANAR-UHFFFAOYSA-N
-rxn:1:16739:49473,COc1cc(-c2cn(C3CCN(S(=O)(=O)Cc4ccc(C)cc4)CC3)nn2)ccc1-n1ncc(C#N)c1C1CCCCC1,INPLDKBHTVYDBG-UHFFFAOYSA-N
-rxn:1:16739:59765,COc1cc(-c2cn(C3CCCN(S(=O)(=O)Cc4ccccc4)C3)nn2)ccc1-n1ncc(C#N)c1C1CCCCC1,BJNKZOWSCWQFKH-UHFFFAOYSA-N
-rxn:1:16760:49475,COc1ccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)c5ccc(C)cc5C)CC4)nn3)c2C2CCCCC2)cc1Cl,RIRRABQTWDEWPI-UHFFFAOYSA-N
-rxn:1:16760:49476,COc1ccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)c5cc(C)ccc5C)CC4)nn3)c2C2CCCCC2)cc1Cl,RXDMCTOHFUERMD-UHFFFAOYSA-N
-rxn:1:16760:49477,COc1ccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)c5cc(C)cc(C)c5)CC4)nn3)c2C2CCCCC2)cc1Cl,KPLPNZZEKLTIML-UHFFFAOYSA-N
-rxn:1:16760:59756,COc1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)c5ccccc5C#N)C4)nn3)c2C2CCCCC2)cc1Cl,JOXQMINRFWTXJM-UHFFFAOYSA-N
-rxn:1:16863:49467,N#Cc1ccc(S(=O)(=O)N2CCC(n3cc(-c4cnn(C5CCSCC5)c4C4CCC4)nn3)CC2)cc1,RSAFZEQCINSJKS-UHFFFAOYSA-N
-rxn:1:16883:49465,CCC(O)Cn1ncc(-c2cn(C3CCN(S(=O)(=O)c4ccc(C)s4)CC3)nn2)c1C1CCCC1,ZTAPEJGVSPAVSP-UHFFFAOYSA-N
-rxn:1:17233:59803,N#Cc1cc(C2CCCC2)n(-c2ccc(-c3cn(CC4CCCN4S(=O)(=O)N4CCCC4)nn3)cc2)n1,LCPXBFQKQMKDFD-UHFFFAOYSA-N
-rxn:1:20569:62297,Cc1cc(F)cc(C(C)n2nc(C3CC3)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1,ZOEMPKUFMKQNIF-UHFFFAOYSA-N
-rxn:1:20600:62297,CCC(c1cc(F)ccc1C)n1nc(C2CC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,BLLBVGQLYQKJON-UHFFFAOYSA-N
-rxn:1:20852:54102,CC(C1CCC1)n1nc(C2CCC2)cc1-c1cn(CCC2C(c3ccc([N+](=O)[O-])nc3)C2(F)F)nn1,BAONITNTKRNHAZ-UHFFFAOYSA-N
-rxn:1:20858:50321,CC(C1CCOC1)n1nc(C2CCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])nc3)C2(F)F)nn1,WZFXDARAKLXNEO-UHFFFAOYSA-N
-rxn:1:20869:62297,CCC(c1ccc(F)cc1F)n1nc(C2CCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,CJTRRZLBYYOAST-UHFFFAOYSA-N
-rxn:1:20914:59718,CCC(c1c(C)cccc1F)n1nc(C2CCC2)cc1-c1cn(C2CCCN(S(=O)(=O)c3cn(C)c(C)n3)C2)nn1,CGCQVGRCYFBRSM-UHFFFAOYSA-N
-rxn:1:21125:61550,CC(c1ccc(C2CC2)cc1)n1nc(C2CCCCC2)cc1-c1cn(Cc2cc(OS(=O)(=O)F)cc(C(=O)O)c2)nn1,ULOPRENPMXRDLN-UHFFFAOYSA-N
-rxn:1:21135:61550,CC(c1ccc(C2CCC2)cc1)n1nc(C2CCCCC2)cc1-c1cn(Cc2cc(OS(=O)(=O)F)cc(C(=O)O)c2)nn1,XFTAQKCZMPOOIN-UHFFFAOYSA-N
-rxn:1:21299:49465,COc1ccc(Cn2nc(C3CCCCC3)cc2-c2cn(C3CCN(S(=O)(=O)c4ccc(C)s4)CC3)nn2)cc1F,BHGZMZTZFLQAKA-UHFFFAOYSA-N
-rxn:1:21304:49465,COc1ccc(Cn2nc(C3CCCCC3)cc2-c2cn(C3CCN(S(=O)(=O)c4ccc(C)s4)CC3)nn2)cc1Cl,OROQZWIZULXCQR-UHFFFAOYSA-N
-rxn:1:21385:49465,COc1cc(Cn2nc(C3CCCCC3)cc2-c2cn(C3CCN(S(=O)(=O)c4ccc(C)s4)CC3)nn2)ccc1Cl,LTSIIUDGMSAXAJ-UHFFFAOYSA-N
-rxn:1:21527:62297,Cc1cc(Br)ccc1Cn1nc(CC(C)C)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,IASCKKKDJYDWMJ-UHFFFAOYSA-N
-rxn:1:21585:62297,Cc1cc(Cl)ccc1Cn1nc(CC(C)C)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,QLNYRJHJZXODRN-UHFFFAOYSA-N
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-rxn:1:49479:16552,N#Cc1cnn(-c2ccc(-c3cn(C4CCN(S(=O)(=O)N5CCCC5)CC4)nn3)cc2)c1C1CCC1,DQGNQVJBKWMUGV-UHFFFAOYSA-N
-rxn:1:50256:30360,Cc1ccc(C2C(Cn3cc(C(=O)N4CCC5(CCCN(Cc6ncccn6)CCn6nccc6C(=O)N(C)C5)CC4)nn3)C2(F)F)cc1CO,WCIOJDJAEGSGOX-UHFFFAOYSA-N
-rxn:1:50321:20538,CC(C1CCCCC1)n1nc(C2CC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])nc3)C2(F)F)nn1,IPLOKHZJNQSMRR-UHFFFAOYSA-N
-rxn:1:50321:21976,CC(C1CCCC1)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])nc3)C2(F)F)nn1,INRBNSZRNWWUHH-UHFFFAOYSA-N
-rxn:1:50321:21981,CC(C1CCOC1)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])nc3)C2(F)F)nn1,DCBWPRSNDJUHNO-UHFFFAOYSA-N
-rxn:1:50321:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC5C(c6ccc([N+](=O)[O-])nc6)C5(F)F)nn4)ncn3)CC2)OC1(C)C,UGCPWCMLARGOBK-UHFFFAOYSA-N
-rxn:1:5046:59779,CCc1nc2scc(-c3cc(C)ccc3Br)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,IHFUDXBWBVHYBD-UHFFFAOYSA-N
-rxn:1:50590:24331,O=[N+]([O-])c1ccc(OCC2CCCC2)c(-c2cn(CC3C(c4ccc5c(c4)CCNC5)C3(F)F)nn2)c1,CNTIMEBYRMUTSZ-UHFFFAOYSA-N
-rxn:1:50590:32434,CN(C)C=Nc1sc2c(c1C#N)C(C)(c1cn(CC3C(c4ccc5c(c4)CCNC5)C3(F)F)nn1)CCC2,MKJPLZSRASWIBT-UHFFFAOYSA-N
-rxn:1:50590:34115,Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C)cc1-c1cn(CC2C(c3ccc4c(c3)CCNC4)C2(F)F)nn1,KLRUXDMBHYYQMG-HXOQOEBWSA-N
-rxn:1:50590:8403,Cc1nc(C2CCN(C(=O)c3cn(CC4C(c5ccc6c(c5)CCNC6)C4(F)F)nn3)CC2)cc(N(C)C)n1,HLSRIPWLSOEQPN-UHFFFAOYSA-N
-rxn:1:50779:35185,CN1CCC(O)(c2csc(CN(C)Cc3cn(CC4C(c5cnc(Cl)c([N+](=O)[O-])c5)C4(F)F)nn3)n2)CC1,VMMRBUJFTSWOGG-UHFFFAOYSA-N
-rxn:1:50801:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3ccc([N+](=O)[O-])c(C)n3)C2(F)F)nn1,OKOMJZRZNURDCY-UHFFFAOYSA-N
-rxn:1:51096:30486,COc1ncc(C2C(Cn3cc(C(=O)N4CCC5(CCCN(Cc6ccn7ccnc7c6)CCCCOc6ccccc6C(=O)N(C)C5)CC4)nn3)C2(F)F)cc1[N+](=O)[O-],VDBWDMIHTSQESV-UHFFFAOYSA-N
-rxn:1:51179:15487,N#Cc1ncc(C2C(Cn3cc(-c4cn(C5CCCC5)nc4C4CCCC4)nn3)C2(F)F)cc1[N+](=O)[O-],PGXOGJQPEJOLLL-UHFFFAOYSA-N
-rxn:1:51179:17723,N#Cc1ncc(C2C(Cn3cc(-c4cc(C5CCCCC5)n(C5CC5)n4)nn3)C2(F)F)cc1[N+](=O)[O-],LCAMOWDQWWUUTF-UHFFFAOYSA-N
-rxn:1:51179:18591,N#Cc1ncc(C2C(Cn3cc(-c4nn(C5CCCCC5)cc4C4CCC4)nn3)C2(F)F)cc1[N+](=O)[O-],PSJUQAQNIOTZCA-UHFFFAOYSA-N
-rxn:1:51228:8496,CN(C)C(=O)c1sc2nccnc2c1C1CCN(C(=O)c2cn(CC3C(c4ccc5c(=O)[nH]cnc5c4)C3(F)F)nn2)CC1,ZKRYJPIWLQSWMI-UHFFFAOYSA-N
-rxn:1:51305:20696,CN(C)C(=O)NC1(c2cn(CC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)CCCCC1,TUJDGECIVMGQRS-UHFFFAOYSA-N
-rxn:1:51306:20696,CN(C)C(=O)NC1(c2cn(CC3C(c4ccc(N5CCNCC5)cc4)C3(F)F)nn2)CCCCC1,RRQQKMSCYGCPBZ-UHFFFAOYSA-N
-rxn:1:51332:16391,COc1cc(-c2cn(CC3C(c4ccccc4N4CCOCC4)C3(F)F)nn2)ccc1-n1ncc(C(=O)N(C)C)c1C,IABFLRMUNDNNCE-UHFFFAOYSA-N
-rxn:1:51339:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC5C(c6cnc7[nH]cc([N+](=O)[O-])c7c6)C5(F)F)nn4)ncn3)CC2)OC1(C)C,CWAGMDRMRXDORF-UHFFFAOYSA-N
-rxn:1:51467:17647,CCC(CC)n1nc(-c2cn(CC3C(c4cc(C(=O)OC)c5cc[nH]c5c4)C3(F)F)nn2)cc1C1CCCC1,UXJOPMXBSHUQDG-UHFFFAOYSA-N
-rxn:1:51468:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4C(c5ccc6[nH]cc(C(=O)OC)c6c5)C4(F)F)nn3)nc2)CC1,ZZGANVGQHXGPFG-UHFFFAOYSA-N
-rxn:1:51504:35113,CN1CCC(CC(=O)Nc2ccc(-c3cn(CC4C(c5cnn(-c6ccccc6[N+](=O)[O-])c5)C4(F)F)nn3)nc2)CC1,DCVVRUPXLRTPJX-UHFFFAOYSA-N
-rxn:1:52717:35113,CN1CCC(CC(=O)Nc2ccc(-c3cn(CCC4CC4c4ccc(C(=O)O)cc4F)nn3)nc2)CC1,BVXQFSHBCBUESS-UHFFFAOYSA-N
-rxn:1:52730:35113,CN1CCC(CC(=O)Nc2ccc(-c3cn(CCC4CC4c4ccc(Cl)cc4C(=O)O)nn3)nc2)CC1,BGFBJKCVCUMJNB-UHFFFAOYSA-N
-rxn:1:52732:35113,CN1CCC(CC(=O)Nc2ccc(-c3cn(CCC4CC4c4ccc(F)cc4C(=O)O)nn3)nc2)CC1,XJBLTCSCILSTSZ-UHFFFAOYSA-N
-rxn:1:52996:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(Cc5ccc(F)c([N+](=O)[O-])c5)nn4)ncn3)CC2)OC1(C)C,XXVHFENLEYYDMV-UHFFFAOYSA-N
-rxn:1:54474:35185,CN1CCC(O)(c2csc(CN(C)Cc3cn(CCC4C(c5cnc(Cl)c([N+](=O)[O-])c5)C4(F)F)nn3)n2)CC1,PGJZQQJYEGNNHV-UHFFFAOYSA-N
-rxn:1:54514:17729,CN(C)CCn1nc(-c2cn(CCC3C(c4ccc(Cl)nc4C(=O)O)C3(F)F)nn2)cc1C1CCCCC1,VVMCBYHURRWYKK-UHFFFAOYSA-N
-rxn:1:54737:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5ccc6nc[nH]c(=O)c6c5)C4(F)F)nn3)nc2)CC1,VAHJESTUJTWSLK-PQUMBPSCSA-N
-rxn:1:54802:20696,CN(C)C(=O)NC1(c2cn(CCC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)CCCCC1,RHJCCEKBERROID-UHFFFAOYSA-N
-rxn:1:54803:20696,CN(C)C(=O)NC1(c2cn(CCC3C(c4ccc(N5CCNCC5)cc4)C3(F)F)nn2)CCCCC1,NDDCZXYETAYLRW-UHFFFAOYSA-N
-rxn:1:54819:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2C(c3ccc4cc(C(=O)O)[nH]c4c3)C2(F)F)nn1,SSAJKOFTZCTEQJ-UHFFFAOYSA-N
-rxn:1:54860:17176,COc1cc(-c2cn(CCC3C(c4ccc(N5CCN(C)CC5)cc4)C3(F)F)nn2)ccc1-n1nc(C(=O)O)cc1C1CCCC1,AJIJCHPFTRMSJM-UHFFFAOYSA-N
-rxn:1:54860:8330,CN1CCN(c2ccc(C3C(CCn4cc(C(=O)N5CCC(c6nccnc6N(C)C)CC5)nn4)C3(F)F)cc2)CC1,JWORISKPHFCWLN-UHFFFAOYSA-N
-rxn:1:54860:8331,CN1CCN(c2ccc(C3C(CCn4cc(C(=O)N5CCCC(c6nccnc6N(C)C)C5)nn4)C3(F)F)cc2)CC1,LAXOTOUDNVJYPM-UHFFFAOYSA-N
-rxn:1:54860:8403,Cc1nc(C2CCN(C(=O)c3cn(CCC4C(c5ccc(N6CCN(C)CC6)cc5)C4(F)F)nn3)CC2)cc(N(C)C)n1,QNXWSQFNPGMSQU-UHFFFAOYSA-N
-rxn:1:54977:9825,CCN1CCC2(CC1)CN(Cc1cn(S(=O)(=O)c3ccc(F)cc3)nn1)c1cc(OC)c(OC)cc1N2,XWKBIYCGAAWOEW-UHFFFAOYSA-N
-rxn:1:55934:29664,CN(C)c1ncc(C2CC2Cn2cc(-c3cc(N4CCC(C(F)(F)F)CC4)ccc3[N+](=O)[O-])nn2)cn1,VRCSBEVLKXIHTG-UHFFFAOYSA-N
-rxn:1:56427:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cc(OC)c(OC)cc3F)nn2)CC1,ARLBJGSYDBBNBG-UHFFFAOYSA-N
-rxn:1:56428:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cc(OC)c(OC)cc3Br)nn2)CC1,GVMHCHUNIPBXQG-UHFFFAOYSA-N
-rxn:1:56451:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3ccc(C(=O)OC)c(Cl)c3)nn2)CC1,DIUQXEQFUQUPBI-UHFFFAOYSA-N
-rxn:1:56453:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3ccc(C(=O)OC)c(F)c3)nn2)CC1,UEPLSQBOEPGESV-UHFFFAOYSA-N
-rxn:1:56567:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4CC4c4cnc(Cl)c(C(=O)OC)c4)nn3)nc2)CC1,IWTWXJBSGQGMKR-UHFFFAOYSA-N
-rxn:1:56578:21213,CCC(c1c(C)cccc1F)n1nc(C2CCCCC2)cc1-c1cn(CC2CC2c2cnc(C(=O)OC)c(C)c2)nn1,LLLRKZKBCURGNJ-UHFFFAOYSA-N
-rxn:1:56626:18752,N#Cc1ncc(C2CC2Cn2cc(-c3cn(CC4CC4(F)F)nc3C3CCCC3)nn2)cc1[N+](=O)[O-],AEFICFQUULCQDX-UHFFFAOYSA-N
-rxn:1:56900:26472,CN1CCC(N(C)CCCn2cc(C3CC(=O)N(c4nc(Cl)c(Br)cc4[N+](=O)[O-])C3)nn2)CC1,FTFKGRCFYAIDLV-UHFFFAOYSA-N
-rxn:1:57225:12974,CCCN1CCN(CCn2cc(-c3cccc(C(=O)OC4CCN(c5ncc(Br)cn5)CC4)c3)nn2)CC1,YPGIAILYHJVMBD-UHFFFAOYSA-N
-rxn:1:57506:23663,CN(Cc1cn(CCCc2ccc([N+](=O)[O-])s2)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,GIWGYYLFLAVCPE-WAIKUNEKSA-N
-rxn:1:57759:9825,CCN1CCC2(CC1)CN(Cc1cn(CCCc3cnc(C#N)c(F)c3)nn1)c1cc(OC)c(OC)cc1N2,FVTNLNVCHLLSQL-UHFFFAOYSA-N
-rxn:1:57779:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CCCc5cccnc5[N+](=O)[O-])nn4)ncn3)CC2)OC1(C)C,DAGNRKVJODYSEQ-UHFFFAOYSA-N
-rxn:1:58181:18101,O=[N+]([O-])c1cc(CCCn2cc(-c3c4c(nn3C3CCCSC3)CCN(CC(F)(F)F)C4)nn2)cnc1Cl,DWIQIQHSAVWQCR-UHFFFAOYSA-N
-rxn:1:58181:29087,CC1(C)OB(C(F)=Cc2cc3n(Cc4cn(CCCc5cnc(Cl)c([N+](=O)[O-])c5)nn4)ccn3n2)OC1(C)C,MEPZSEILRQYYLB-UHFFFAOYSA-N
-rxn:1:58184:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CCCc5cc([N+](=O)[O-])cnc5Cl)nn4)ncn3)CC2)OC1(C)C,HFHQEQUEQVBNAS-UHFFFAOYSA-N
-rxn:1:58226:9825,CCN1CCC2(CC1)CN(Cc1cn(CCCc3cnc(F)c(C(=O)O)c3)nn1)c1cc(OC)c(OC)cc1N2,RVYQAMCGPKAHSQ-UHFFFAOYSA-N
-rxn:1:58363:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CCCc3cc([N+](=O)[O-])c(Cl)nc3C)nn2)CC1,HXIHLUXPOPSSDE-UHFFFAOYSA-N
-rxn:1:58572:18101,O=[N+]([O-])c1ccc2[nH]nc(CCCn3cc(-c4c5c(nn4C4CCCSC4)CCN(CC(F)(F)F)C5)nn3)c2c1,LKLDKFPWLIKGFQ-UHFFFAOYSA-N
-rxn:1:59090:9825,CCN1CCC2(CC1)CN(Cc1cn(C(=O)c3cc(F)ccc3Br)nn1)c1cc(OC)c(OC)cc1N2,BFVDSIHMMAVFJP-UHFFFAOYSA-N
-rxn:1:59558:9825,CCN1CCC2(CC1)CN(Cc1cn(CC(=O)c3ccc(F)cc3F)nn1)c1cc(OC)c(OC)cc1N2,BBNRIVHPDGSYDG-UHFFFAOYSA-N
-rxn:1:59718:30319,Cc1nc(S(=O)(=O)N2CCCC(n3cc(C(=O)N4CCC5(CCN(Cc6ccc(Cl)cn6)CCCOc6ccccc6C(=O)NC5)CC4)nn3)C2)cn1C,VMSVZVMLTTYTDQ-UHFFFAOYSA-N
-rxn:1:59728:35756,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(n2cc(-c3cc(Br)cnc3NC(=O)CC3(C)OCCO3)nn2)CC1,CAEMVFACHFAYNI-UHFFFAOYSA-N
-rxn:1:59744:17671,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(-c4cc(CC(C)C)n(C5CCSCC5)n4)nn3)C2)s1,MMOKNVBGKBAKEG-UHFFFAOYSA-N
-rxn:1:59744:34970,CCC1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCCN(S(=O)(=O)c4ccc(C)s4)C3)nn2)CC1,RUGBVJOWVURDLF-UHFFFAOYSA-N
-rxn:1:59756:16712,COc1cccc(C)c1-n1ncc(-c2cn(C3CCCN(S(=O)(=O)c4ccccc4C#N)C3)nn2)c1CC1CCCC1,ZJXDZKXUJOWINY-UHFFFAOYSA-N
-rxn:1:59756:16760,COc1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)c5ccccc5C#N)C4)nn3)c2C2CCCCC2)cc1Cl,JOXQMINRFWTXJM-UHFFFAOYSA-N
-rxn:1:59771:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(C3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)nn2)CC1,JMCRWGPNKQGQJM-UHFFFAOYSA-N
-rxn:1:59772:16739,COc1cc(-c2cn(C3CCCN(S(=O)(=O)c4ccc(F)cc4C)C3)nn2)ccc1-n1ncc(C#N)c1C1CCCCC1,SQEXDPQUUFNUBO-UHFFFAOYSA-N
-rxn:1:59772:16760,COc1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)c5ccc(F)cc5C)C4)nn3)c2C2CCCCC2)cc1Cl,TYCUCEOSCCSTCM-UHFFFAOYSA-N
-rxn:1:59772:17458,CCOc1ccc(-n2nc(-c3cn(C4CCCN(S(=O)(=O)c5ccc(F)cc5C)C4)nn3)cc2C2CCCCC2)cc1,AKABEEZATCHWEA-UHFFFAOYSA-N
-rxn:1:59772:20540,Cc1cc(F)ccc1S(=O)(=O)N1CCCC(n2cc(-c3cc(C4CC4)nn3C(C)C3CCSCC3)nn2)C1,NLIWARXKPINHGD-UHFFFAOYSA-N
-rxn:1:59777:10487,Cc1sc2ncnc(SCc3cn(C4CCCN(S(=O)(=O)N5CCCC5)C4)nn3)c2c1-c1ccc2c(c1)CCCC2,QEPDQIPQSOOXCM-UHFFFAOYSA-N
-rxn:1:59777:17234,N#Cc1cc(CC2CC2)n(-c2ccc(-c3cn(C4CCCN(S(=O)(=O)N5CCCC5)C4)nn3)cc2)n1,MLVNXNOPDSHMCK-UHFFFAOYSA-N
-rxn:1:59777:5046,CCc1nc2scc(-c3cc(C)ccc3Br)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCC3)C2)nn1,XFDHVVHVOAYIRG-UHFFFAOYSA-N
-rxn:1:59779:10266,CCCc1nc2sc(C)c(-c3cccs3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,GRPNYJSONZCGCQ-UHFFFAOYSA-N
-rxn:1:59779:37416,CCOC(=O)c1c[nH]c2c(-c3ccccc3-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)cccc2c1=O,VFWOPYYDFSJVFA-UHFFFAOYSA-N
-rxn:1:59779:5046,CCc1nc2scc(-c3cc(C)ccc3Br)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,IHFUDXBWBVHYBD-UHFFFAOYSA-N
-rxn:1:59780:10179,CC(C)c1nc2scc(-c3cccs3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,LXXNIWFEUXOTJL-UHFFFAOYSA-N
-rxn:1:59780:10208,CCc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,ZAWMNUWFVDRDSX-UHFFFAOYSA-N
-rxn:1:59780:37416,CCOC(=O)c1c[nH]c2c(-c3ccccc3-c3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)cccc2c1=O,XPRFYWRUPWEDFT-UHFFFAOYSA-N
-rxn:1:59780:5046,CCc1nc2scc(-c3cc(C)ccc3Br)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,PWUAXGSCIVMGEL-UHFFFAOYSA-N
-rxn:1:59780:6960,N#CCc1cc(-c2cccnc2)nn1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,RCPWJXSIZBDHPT-UHFFFAOYSA-N
-rxn:1:59792:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CCCN3S(=O)(=O)c3ccc(OC)cc3)nn2)CC1,DCCQXUWHMVVONT-UHFFFAOYSA-N
-rxn:1:59801:25733,Cc1c(CO)cccc1N1CC(c2cn(CC3CCCN3S(=O)(=O)Cc3ccccc3F)nn2)CC1=O,FDGULEGBRBINMW-UHFFFAOYSA-N
-rxn:1:59803:17234,N#Cc1cc(CC2CC2)n(-c2ccc(-c3cn(CC4CCCN4S(=O)(=O)N4CCCC4)nn3)cc2)n1,LUCVXPUOZVNZOZ-UHFFFAOYSA-N
-rxn:1:60056:5104,CC(C)(C)OC(=O)N1CC=C(n2cc(Cn3cc(C4CCNCC4)c4ccc(F)cc43)nn2)CC1,ZRDHVVBFYOAPEZ-UHFFFAOYSA-N
-rxn:1:60108:14815,C=C1C[C@@]2(CC)[C@H](CCC2(OS(=O)(=O)[O-])c2cn(P(N)Cl)nn2)[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]12,UCSNTUTWACXMTC-MUQUQIJFSA-M
-rxn:1:60287:21303,COc1c(C)cc(Cn2nc(C3CCCCC3)cc2-c2cn(CC3CCCN3S(=O)(=O)c3cn(C)cn3)nn2)cc1C,FXAWOZYZLGECFA-UHFFFAOYSA-N
-rxn:1:60300:10208,CCc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)C3CCCCC3)C2)nn1,ZVDRVHJDAZWMDD-UHFFFAOYSA-N
-rxn:1:60301:13189,COc1cccc(C(=O)Nc2ccc(-c3cn(CC4CCCN4S(=O)(=O)C4CCCCC4)nn3)cc2)c1Br,JPRWOMYGGDQOKM-UHFFFAOYSA-N
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-rxn:2:138546:134836,CC(C)[C@H]1CC[C@@]2(C)CCCC(Nc3ccc(N4CCC(N(C)C)CC4)cn3)[C@@]2(C)C1,PRTOBLVLTQCGJS-SGCFAYKWSA-N
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-rxn:2:67505:94019,CC(C)C1CCCC(NC2CCC(C(C)(C)C)CC2N(C)C)CC1,BYZUUYGCNALQAP-UHFFFAOYSA-N
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-rxn:2:68214:150267,CC(NCCOCC1CCN(C)CC1)c1cccc(-c2ccc(N3CCOCC3)nc2)n1,MEOINIJPLRTYQW-UHFFFAOYSA-N
-rxn:2:68214:159711,CC(NCCOCC1CCN(C)CC1)c1ccc(-c2ccnc(N3CCOCC3)c2)cn1,LSYBNRMEDRZMBE-UHFFFAOYSA-N
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-rxn:2:74747:75173,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NC1(c3cccc(C4CCOCOC4)c3)CC1)C2,YOCDJLGYJCOZCJ-QWTQLVPVSA-M
-rxn:2:75202:141484,CCCC1CCC(Nc2ccc(OS(C)(=O)=O)cc2)C(CC2CCCO2)C1,BLZZVSAFMSIITH-UHFFFAOYSA-N
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-rxn:2:78524:99520,CCC(C)CN(C)CC1CCCCCC1NCC1C(F)(F)C12CCC2,HWHVWRICOQKEGH-UHFFFAOYSA-N
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-rxn:2:79315:106992,CCC1COCCN1CC(NCCC1(S(C)(=O)=O)CC1)c1cccs1,DFVWNVARJCIACN-UHFFFAOYSA-N
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-rxn:2:81415:110361,CC1CCCC(N(C)C2CCCCC2NC(C)CCC(C)(F)F)C1,UXTMOLXFWBTIMB-UHFFFAOYSA-N
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-rxn:2:84906:170110,Cc1nc2ccc(-c3ccc4c(c3)C(NCC3CCCN(C5CCS(=O)(=O)C5)C3)CCS4)cc2o1,XFIWIJHWAFHFJB-UHFFFAOYSA-N
-rxn:2:85244:124544,CCCN(C)CCC(C)NC(C)C1CCCC(F)(F)C1,JPUCCKUBARIXLE-UHFFFAOYSA-N
-rxn:2:87496:119716,CCC(NCC1(S(=O)(=O)C2CCCC2)CC1)c1cccc(S(=O)(=O)F)c1,MKHAXXISAURDEV-UHFFFAOYSA-N
-rxn:2:88564:142916,Cc1ccc(-n2c(NC3C4(C)CCC5C4(C)COC53S(=O)(=O)[O-])cc(=O)[nH]c2=S)c(C)c1,HXIYFOIZUAOFBW-UHFFFAOYSA-M
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-rxn:2:88564:157971,COc1ccccc1-n1c(NC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])cc(=O)[nH]c1=S,QPHAQOYHPCOFAZ-UHFFFAOYSA-M
-rxn:2:88564:159636,Cc1cc(C)cc(-n2c(NC3C4(C)CCC5C4(C)COC53S(=O)(=O)[O-])cc(=O)[nH]c2=S)c1,ZLCGXOMJWUGGLV-UHFFFAOYSA-M
-rxn:2:88564:160638,CSc1ccc(-n2[nH]c(=O)cc2CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])cc1,UMASVYWAMREMNT-UHFFFAOYSA-M
-rxn:2:88564:163087,Cc1ccc(-n2c(NC3C4(C)CCC5C4(C)COC53S(=O)(=O)[O-])cc(=O)[nH]c2=O)cc1C,RFYBHCUVWMGBSG-UHFFFAOYSA-M
-rxn:2:88564:163954,CCc1cccc(Cn2[nH]c(=O)cc2NC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])c1,LRNGHJATURPUFL-UHFFFAOYSA-M
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-rxn:1:4002:59560,CN(C(=O)Cn1cc(CN(Cc2ccc3c(c2)OCO3)S(C)(=O)=O)nn1)C1CCCCC1,AFWLDNCGXORZOR-UHFFFAOYSA-N
-rxn:1:41839:37247,CC(C)(C)OC(=O)N1CC2(CC(=Cc3cccc(-c4cn(CC=Cc5c[nH]c6ccc(F)cc56)nn4)c3F)C2)C1,FZBZBZUUVMXQIX-UHFFFAOYSA-N
-rxn:1:42709:4002,CC1CCCCC12CCC(Cn1cc(CN(Cc3ccc4c(c3)OCO4)S(C)(=O)=O)nn1)O2,YUOGHLVRHMVVPX-UHFFFAOYSA-N
-rxn:1:43271:11170,CC1CCCCC1N(Cc1cn(CC2CC3(CNC3)CO2)nn1)S(=O)(=O)c1cccs1,XCOKYVBNXVYYNB-UHFFFAOYSA-N
-rxn:1:44284:29664,O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)cc1-c1cn(CCC#Cc2ccc(O)c(CO)c2)nn1,SJSDGURZWKSDRT-UHFFFAOYSA-N
-rxn:1:49279:29664,O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)cc1-c1cn(CCC(O)C(O)c2c[nH]c3nccc(Cl)c23)nn1,UKKVUXJKFKGLGN-UHFFFAOYSA-N
-rxn:1:49304:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn([C@@H]4CCCC[C@H]4N4CCCC4)nn3)c2C2CCCCC2)cc1,AOJJIMAXKPNEGZ-VSGBNLITSA-N
-rxn:1:49305:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn([C@@H]4CCCC[C@H]4N4CCCCC4)nn3)c2C2CCCCC2)cc1,VJNDVHMKJYYMMR-FQLXRVMXSA-N
-rxn:1:49320:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn([C@@H]4CCC[C@H]4N4CCCC4)nn3)c2C2CCCCC2)cc1,YQTMBAYXPQFUCW-KAYWLYCHSA-N
-rxn:1:49323:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn([C@@H]4CCC[C@H]4N4CCCCC4)nn3)c2C2CCCCC2)cc1,NDIRVYGEMHQPTM-VSGBNLITSA-N
-rxn:1:49480:22746,Nc1cc(C2CCC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)c1,SVRXMTPAKMKNMV-UHFFFAOYSA-N
-rxn:1:49480:25558,N=c1sc2cc3c(cc2n1Cc1cn(C2CCN(S(=O)(=O)N4CCOCC4)CC2)nn1)OCO3,KAOMMQBLPGQRCB-UHFFFAOYSA-N
-rxn:1:49480:28060,N#CCC=Cc1cccc(-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)c1,HVYGRTCPSWJNEC-UHFFFAOYSA-N
-rxn:1:49480:28061,N#CCC=Cc1ccc(-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)cc1,NPUWEUPRHCRVQF-UHFFFAOYSA-N
-rxn:1:49480:31226,N#Cc1ccc(C2CC2c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)cc1,KAPDNSKCMNPQFQ-UHFFFAOYSA-N
-rxn:1:49480:5065,O=c1c2c3c(sc2nc(-c2ccncc2)n1Cc1cn(C2CCN(S(=O)(=O)N4CCOCC4)CC2)nn1)CCCC3,KXBPZWJVZJFBOH-UHFFFAOYSA-N
-rxn:1:49552:9825,CCN1CCC2(CC1)CN(Cc1cn(C(=O)c3sccc3OCc3ccc(Cl)cc3Cl)nn1)c1cc(OC)c(OC)cc1N2,OIMXQFHYADUDPH-UHFFFAOYSA-N
-rxn:1:50092:21981,CC(C1CCOC1)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3nc([N+](=O)[O-])c[nH]3)C2(F)F)nn1,SPSHVXJCJDIPJL-UHFFFAOYSA-N
-rxn:1:50556:26067,Nc1ncnc2[nH]cc(C3C(Cn4cc(C5CC(=O)N(CCOS(=O)(=O)O)C5)nn4)C3(F)F)c12,DELHKJMPRQIYRW-UHFFFAOYSA-N
-rxn:1:50573:7074,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cn(CC3C(c4ccc5[nH]c(=O)[nH]c5c4)C3(F)F)nn2)CC1,NHUVIHIWAIAJGC-UHFFFAOYSA-N
-rxn:1:50617:26067,Nc1ncnc2[nH]nc(C3C(Cn4cc(C5CC(=O)N(CCOS(=O)(=O)O)C5)nn4)C3(F)F)c12,POFNSQUNYBXYPX-UHFFFAOYSA-N
-rxn:1:5065:49480,O=c1c2c3c(sc2nc(-c2ccncc2)n1Cc1cn(C2CCN(S(=O)(=O)N4CCOCC4)CC2)nn1)CCCC3,KXBPZWJVZJFBOH-UHFFFAOYSA-N
-rxn:1:51309:15593,O=[N+]([O-])c1ccc2[nH]cc(C3C(Cn4cc(-c5cn(C6CCCC6)nc5CC5CCCC5)nn4)C3(F)F)c2c1,PDGPRBXESXNGRO-UHFFFAOYSA-N
-rxn:1:51309:15667,O=[N+]([O-])c1ccc2[nH]cc(C3C(Cn4cc(-c5cn(CC6CCC6)nc5C5CCCCC5)nn4)C3(F)F)c2c1,JZDQHWMGQQRSHS-UHFFFAOYSA-N
-rxn:1:51318:29667,O=[N+]([O-])c1ccc(N2CCCC2)cc1-c1cn(CC2C(c3ccc(C4CCNCC4)cc3)C2(F)F)nn1,NJKTUIAVFFDQBI-UHFFFAOYSA-N
-rxn:1:51340:5983,O=[N+]([O-])c1ccc2[nH]nc(C3C(Cn4cc(-c5nc(N6CCCCC6)nc(N6CCCCC6)n5)nn4)C3(F)F)c2c1,SHNDMZTVGWZOHQ-UHFFFAOYSA-N
-rxn:1:52483:29664,O=C(O)c1cncc(C2CC2CCn2cc(-c3cc(N4CCC(C(F)(F)F)CC4)ccc3[N+](=O)[O-])nn2)c1,ZKBGMDJCDNCCAW-UHFFFAOYSA-N
-rxn:1:53520:26067,Nc1ncc(C2C(CCn3cc(C4CC(=O)N(CCOS(=O)(=O)O)C4)nn3)C2(F)F)cn1,IGIWQJJFGUAHEK-UHFFFAOYSA-N
-rxn:1:53899:15487,O=[N+]([O-])c1c[nH]c(C2C(CCn3cc(-c4cn(C5CCCC5)nc4C4CCCC4)nn3)C2(F)F)n1,MXBKTXFJRZPBEL-UHFFFAOYSA-N
-rxn:1:54293:26067,O=C1CC(c2cn(CCC3C(c4cnc5cnccn45)C3(F)F)nn2)CN1CCOS(=O)(=O)O,OCYNKSBHQFDFMJ-UHFFFAOYSA-N
-rxn:1:54294:26067,O=C1CC(c2cn(CCC3C(c4cnc5ncccn45)C3(F)F)nn2)CN1CCOS(=O)(=O)O,QPTCBLCQAWIBLR-UHFFFAOYSA-N
-rxn:1:54295:26067,O=C1CC(c2cn(CCC3C(c4cnc5[nH]ccc5n4)C3(F)F)nn2)CN1CCOS(=O)(=O)O,YHQDTMRIEFNHSM-UHFFFAOYSA-N
-rxn:1:54312:26067,Nc1ncnc2[nH]cc(C3C(CCn4cc(C5CC(=O)N(CCOS(=O)(=O)O)C5)nn4)C3(F)F)c12,HJUAGMNKCSUVIO-UHFFFAOYSA-N
-rxn:1:54329:7074,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cn(CCC3C(c4ccc5[nH]c(=O)[nH]c5c4)C3(F)F)nn2)CC1,JGJHVDLJPWMQCJ-UHFFFAOYSA-N
-rxn:1:5519:49479,Cc1nc2c(c(=O)[nH]1)CCN(Cc1cn(Cc3cn(C4CCN(S(=O)(=O)N5CCCC5)CC4)nn3)c3ccccc13)C2,BUIFFFPOEFAGFC-UHFFFAOYSA-N
-rxn:1:55914:38297,O=C=Nc1ccccc1C1CC1Cn1cc(CN2CCNCCNCCNCC2)nn1,NHMNNMQBSRHIDY-UHFFFAOYSA-N
-rxn:1:56123:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4(F)CCN(C(=O)OC(C)(C)C)CC4)nn3)cn2)CC1,VHLXWHJEUHHXRZ-UHFFFAOYSA-N
-rxn:1:58934:9832,CCN1CCC2(CC1)CN(Cc1cn(S(=O)(=O)c3cccc(C)c3)nn1)c1cc3c(cc1N2)OCCO3,RKHAAOJMXYZYBC-UHFFFAOYSA-N
-rxn:1:59779:10262,CCCc1nc2scc(-c3ccc4ccccc4c3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,LBFFHZUHAYINDG-UHFFFAOYSA-N
-rxn:1:59779:11640,Cc1cccc(Cn2nnc3c(=O)n(Cc4cn(C5CCN(S(=O)(=O)N6CCCCCC6)CC5)nn4)cnc32)c1,QFFSYTPSYDWKMK-UHFFFAOYSA-N
-rxn:1:59779:11642,Cc1ccccc1Cn1nnc2c(=O)n(Cc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)cnc21,NCUOZVJCGXRKSS-UHFFFAOYSA-N
-rxn:1:59779:22572,N#Cc1cnn(-c2ccccc2OCc2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)c1N,VTPNZDJYRLOHTA-UHFFFAOYSA-N
-rxn:1:59779:25605,Cc1ccc(-c2cc(N3CC(c4cn(C5CCN(S(=O)(=O)N6CCCCCC6)CC5)nn4)CC3=O)[nH]n2)cc1,WPJXRDXLGRHQGZ-UHFFFAOYSA-N
-rxn:1:59779:25636,Cc1cc(N2CC(c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)CC2=O)n(-c2ccccc2)n1,DVSCGZSJBRLCOA-UHFFFAOYSA-N
-rxn:1:59779:25672,Cc1ccccc1-c1cc(N2CC(c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)CC2=O)[nH]n1,JKRPHAJQGJLCPV-UHFFFAOYSA-N
-rxn:1:59779:25916,Cc1nccc(-c2cccc(N3CC(c4cn(C5CCN(S(=O)(=O)N6CCCCCC6)CC5)nn4)CC3=O)c2)n1,YHUSWKSUAQIRBI-UHFFFAOYSA-N
-rxn:1:59779:25921,Cc1nccn1-c1ccccc1CN1CC(c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)CC1=O,XNZLSTQFEMISIU-UHFFFAOYSA-N
-rxn:1:59779:25923,Cc1nccn1Cc1ccc(N2CC(c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)CC2=O)cc1,JPBKASFGTXWWLD-UHFFFAOYSA-N
-rxn:1:59779:26927,N#Cc1cnn(-c2ccccn2)c1N1CC(c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)CC1=O,DCKQECNUAOBGBW-UHFFFAOYSA-N
-rxn:1:59779:33510,Cn1cnc2ccc(C(=O)Nc3ccc(-c4cn(C5CCN(S(=O)(=O)N6CCCCCC6)CC5)nn4)nc3)cc21,RMNFSHJEXUXZQD-UHFFFAOYSA-N
-rxn:1:59779:5089,NCc1cn(Cc2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)c2cccc(Cl)c12,KOWDBMIOCCJQOV-UHFFFAOYSA-N
-rxn:1:59779:6766,O=CCc1cn(Cc2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)nc1-c1ccsc1,JUMGCXWJOJSGSA-UHFFFAOYSA-N
-rxn:1:59779:6771,O=CCc1cn(Cc2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)nc1-c1ccccn1,NECNJQKSJPNWGB-UHFFFAOYSA-N
-rxn:1:59779:6776,N#CCc1cn(Cc2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)nc1-c1cccs1,NAVREPIJPHVPOR-UHFFFAOYSA-N
-rxn:1:59779:6779,N#CCc1cn(Cc2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)nc1-c1cccnc1,ZLXRHBTYINXGGP-UHFFFAOYSA-N
-rxn:1:59779:6780,N#CCc1cn(Cc2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)nc1-c1ccccn1,PZWIVSZWNYLJPX-UHFFFAOYSA-N
-rxn:1:59779:6792,CNCc1cn(Cc2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)nc1-c1ccccn1,JSUXXRSFXWZFAN-UHFFFAOYSA-N
-rxn:1:59779:6911,N#CCc1cc(-c2ccsc2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,OAMWFQITMOOYOS-UHFFFAOYSA-N
-rxn:1:59779:6922,CNCc1cc(-c2cccs2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,FKYVQJIGYKQYNC-UHFFFAOYSA-N
-rxn:1:59779:6935,CNCc1cc(-c2cnccn2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,BLMAJLDTQHIPLM-UHFFFAOYSA-N
-rxn:1:59779:6946,CNCc1cc(-c2ccncc2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,LLZBEZNBCNIOKX-UHFFFAOYSA-N
-rxn:1:59779:6949,N#CCc1cc(-c2ccncc2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,HCHAENTWNZJNSB-UHFFFAOYSA-N
-rxn:1:59779:6957,CNCc1cc(-c2cccnc2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,HBAMQUZVDWWVNW-UHFFFAOYSA-N
-rxn:1:59779:6968,CNCc1cc(-c2ccccn2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,RHIRIUIMRUDLPQ-UHFFFAOYSA-N
-rxn:1:59780:10223,CCc1nc2scc(-c3ccc4ccccc4c3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,UUBUTAYZKDGHAK-UHFFFAOYSA-N
-rxn:1:59780:15356,N#Cc1ccnn1-c1ccccc1OCc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,GMTOHCAZCUNWKV-UHFFFAOYSA-N
-rxn:1:59780:15444,N#Cc1cnn(-c2ccccc2OCc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,DSDPFYHOSLDEDY-UHFFFAOYSA-N
-rxn:1:59780:22908,Nc1cc(C2CNC2)nn1-c1cncc(-c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,QANPWWHWKAYJPO-UHFFFAOYSA-N
-rxn:1:59780:25784,Cc1nnc2n1-c1ccc(-c3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)cc1C(c1ccccn1)=NC2,XCGNXLPNHMQZHH-UHFFFAOYSA-N
-rxn:1:59780:25892,Cc1nc(-c2ccc(N3CC(c4cn(C5CCCN(S(=O)(=O)N6CCCCCC6)C5)nn4)CC3=O)cc2)cs1,OEXJDMDZLJZAJQ-UHFFFAOYSA-N
-rxn:1:59780:25923,Cc1nccn1Cc1ccc(N2CC(c3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)CC2=O)cc1,DCWNZBSRHFYQFZ-UHFFFAOYSA-N
-rxn:1:59780:25964,Cn1ncc2c(N3CC(c4cn(C5CCCN(S(=O)(=O)N6CCCCCC6)C5)nn4)CC3=O)cccc21,IBDQBDWFPSTTLS-UHFFFAOYSA-N
-rxn:1:59780:26927,N#Cc1cnn(-c2ccccn2)c1N1CC(c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)CC1=O,PVJRVHXDBJRZDJ-UHFFFAOYSA-N
-rxn:1:59780:27135,O=C1CC(c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)CN1c1cc(C2CC2)nn1-c1ccccc1,WDONCKZCROYHTI-UHFFFAOYSA-N
-rxn:1:59780:27397,O=C1CC(c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)CN1c1nccc(-c2ccncc2)n1,YMYSIRJFCQCAHM-UHFFFAOYSA-N
-rxn:1:59780:27555,O=C1CC(c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)CN1c1nsc(-c2ccccc2)n1,OBQHOHAVOMZDDA-UHFFFAOYSA-N
-rxn:1:59780:31226,N#Cc1ccc(C2CC2c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)cc1,ZHESCOVAGWFGJO-UHFFFAOYSA-N
-rxn:1:59780:6771,O=CCc1cn(Cc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1-c1ccccn1,MQCLRIVHUKTIQG-UHFFFAOYSA-N
-rxn:1:59780:6775,N#CCc1cn(Cc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1-c1ccsc1,YPYHZTLYENIGHL-UHFFFAOYSA-N
-rxn:1:59780:6776,N#CCc1cn(Cc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1-c1cccs1,LOYVXILBARGQGV-UHFFFAOYSA-N
-rxn:1:59780:6778,N#CCc1cn(Cc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1-c1ccncc1,PITUCBLVYIZPGL-UHFFFAOYSA-N
-rxn:1:59780:6779,N#CCc1cn(Cc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1-c1cccnc1,WUJBDSPVMOQIFA-UHFFFAOYSA-N
-rxn:1:59780:6780,N#CCc1cn(Cc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1-c1ccccn1,TWDSQOAOYHXXIY-UHFFFAOYSA-N
-rxn:1:59780:6788,CNCc1cn(Cc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1-c1cccs1,LJNBWKWSSYKIHO-UHFFFAOYSA-N
-rxn:1:59780:6789,CNCc1cn(Cc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1-c1cnccn1,AYGFGSSJCBKIOU-UHFFFAOYSA-N
-rxn:1:59780:6792,CNCc1cn(Cc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1-c1ccccn1,DFKUVZWIMVYFQD-UHFFFAOYSA-N
-rxn:1:59780:6907,CNCc1cc(-c2ccsc2)nn1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,YKKLBECQHUVAEL-UHFFFAOYSA-N
-rxn:1:59780:6922,CNCc1cc(-c2cccs2)nn1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,GXYSTKIFVXPDFI-UHFFFAOYSA-N
-rxn:1:59780:6925,N#CCc1cc(-c2cccs2)nn1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,AYNWQMAXMZTDAR-UHFFFAOYSA-N
-rxn:1:59780:6935,CNCc1cc(-c2cnccn2)nn1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,MQNOBJIERKXRDF-UHFFFAOYSA-N
-rxn:1:59780:6946,CNCc1cc(-c2ccncc2)nn1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,OAQLKAVDURXNGE-UHFFFAOYSA-N
-rxn:1:59780:6949,N#CCc1cc(-c2ccncc2)nn1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,RBAXVWAOSNNLAO-UHFFFAOYSA-N
-rxn:1:59780:6957,CNCc1cc(-c2cccnc2)nn1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,ZWBFWPXNMIMPSX-UHFFFAOYSA-N
-rxn:1:59780:6968,CNCc1cc(-c2ccccn2)nn1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,KKJBIGAVHDEJQU-UHFFFAOYSA-N
-rxn:1:59780:6971,N#CCc1cc(-c2ccccn2)nn1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,RLTFSTHUWBLUKV-UHFFFAOYSA-N
-rxn:1:59803:36517,CCN1CCN(c2ccc(-c3ccccc3-c3cn(CC4CCCN4S(=O)(=O)N4CCCC4)nn3)cn2)CC1,MJQYSQWUEXOWEC-UHFFFAOYSA-N
-rxn:1:59822:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CN(C5CCCC5)C4)nn3)c2C2CCCCC2)cc1,PHWSPZPCDHWSIW-UHFFFAOYSA-N
-rxn:1:60056:5315,CC(C)(C)OC(=O)N1CC=C(n2cc(Cn3c(-c4cccc(F)c4)nc4c(c3=O)CNCC4)nn2)CC1,GDASRQNULBSKDN-UHFFFAOYSA-N
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-rxn:1:56520:29664,CSc1ncc(C2CC2Cn2cc(-c3cc(N4CCC(C(F)(F)F)CC4)ccc3[N+](=O)[O-])nn2)c(C(=O)O)n1,GRTPLZFTHYRVEU-UHFFFAOYSA-N
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-rxn:1:58701:30319,Cn1ccc(CCCCn2cc(C(=O)N3CCC4(CCN(Cc5ccc(Cl)cn5)CCCOc5ccccc5C(=O)NC4)CC3)nn2)n1,ZPEBGKKHSDPDLL-UHFFFAOYSA-N
-rxn:1:59779:10658,Nc1ccc(CC(=O)Nc2cccc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)c2)cc1,MLEQYSJFUGWIQS-UHFFFAOYSA-N
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-rxn:1:59779:34481,Cc1ccc(NC(=O)c2cccc3nccnc23)cc1-c1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,QVEVOYJMNOTGRZ-UHFFFAOYSA-N
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-rxn:1:59779:7565,CN(Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1)Cc1ccc(O)c2ncccc12,FFKKLVKRCDXQPD-UHFFFAOYSA-N
-rxn:1:59780:10249,CCCc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,ZAAXIXWSUCVKDV-UHFFFAOYSA-N
-rxn:1:59780:10485,CCc1ccc(-c2c(C)sc3ncnc(SCc4cn(C5CCCN(S(=O)(=O)N6CCCCCC6)C5)nn4)c23)cc1,KSSOCUNGHKZTFE-UHFFFAOYSA-N
-rxn:1:59780:12557,COc1cc(NC(=O)c2cccc(-c3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c2)ncn1,JDRUVUADIMGHLN-UHFFFAOYSA-N
-rxn:1:59780:25672,Cc1ccccc1-c1cc(N2CC(c3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)CC2=O)[nH]n1,GRIWZDQCMZILJU-UHFFFAOYSA-N
-rxn:1:59780:35389,CC=CCC(=O)Nc1ccc(-c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1,AQDAHYZYVYCFRR-UHFFFAOYSA-N
-rxn:1:59780:5318,C=CCn1c(SCc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc2sc3c(c2c1=O)CCC3,ZTEFEVODQGJLFM-UHFFFAOYSA-N
-rxn:1:59780:6749,NCCc1cn(Cc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1-c1cnccn1,BNKOPVKYIPSEKX-UHFFFAOYSA-N
-rxn:1:59780:6815,N=C(N)c1cn(Cc2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1-c1cccs1,QWHUVUKQUWAFRV-UHFFFAOYSA-N
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-rxn:1:60335:29119,CC1CC(O)(c2cn(S(=O)(=Nc3nccc[n+]3C)C(F)(F)F)nn2)C2CCCCC2N1,XPRLPNXOKPMMAW-UHFFFAOYSA-N
-rxn:1:60335:35033,CC1CC(O)(c2cn(S(=O)(=Nc3nccc[n+]3C)C(F)(F)F)nn2)C2CCCCC2S1,VFZMASNEAFBDRQ-UHFFFAOYSA-N
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-rxn:1:60335:7617,C=C1C[C@]2(CC)C(=O)CC[C@H]2[C@@H]2CCC3=CC(c4cn(S(=O)(=Nc5nccc[n+]5C)C(F)(F)F)nn4)=CC[C@@H]3[C@@H]12,JIDJXOIXOLFZRL-BVAXCSJYSA-N
-rxn:1:60658:16536,Nc1cnn(-c2ccc(OCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)cc2)c1C1CCC1,SONRASCNLYRTFU-UHFFFAOYSA-N
-rxn:1:60728:1943,CCOC(=O)C(C)(C)Cc1cn([C@@H]2C=CSC3=C2C[C@H](C)S3(=O)=O)nn1,RHYLTPVLQDPQOQ-SMDDNHRTSA-N
-rxn:1:60866:11174,O=S(=O)(c1cccs1)N(Cc1cn(CCN2CC(CO)C3(CCC3)C2)nn1)C1CC1,HRSIOKOGHUHDND-UHFFFAOYSA-N
-rxn:1:60866:33569,O=S(=O)(c1cccs1)N(Cc1cn(CCN2CC(CO)C3(CCC3)C2)nn1)C1CCCC1,RJJFQQGJXMAWOD-UHFFFAOYSA-N
-rxn:1:60868:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CC5CCCC5(COC)C4)nn3)c2C2CCCCC2)cc1,TWDDYHKPXFSEAY-UHFFFAOYSA-N
-rxn:1:60903:10026,COC1CCOC2(CCN(CCn3cc(CSc4nc(-c5ccc(S(C)(=O)=O)cc5)cs4)nn3)C2)C1,OYIUCYIWKFBURU-UHFFFAOYSA-N
-rxn:1:60903:22277,COC1CCOC2(CCN(CCn3cc(COc4ccc(-n5cc(S(C)(=O)=O)cn5)cc4)nn3)C2)C1,NGOLHKKTJBIARG-UHFFFAOYSA-N
-rxn:1:60903:22278,COC1CCOC2(CCN(CCn3cc(COc4cccc(-n5cc(S(C)(=O)=O)cn5)c4)nn3)C2)C1,QONMVNQFDOLXIN-UHFFFAOYSA-N
-rxn:1:60907:11170,CC1CCCCC1N(Cc1cn(CCN(C2CC2)C2CCSC2)nn1)S(=O)(=O)c1cccs1,LMFQBHYJMHVYMO-UHFFFAOYSA-N
-rxn:1:60912:29661,O=[N+]([O-])c1ccc(N2CCCC(C(F)(F)F)C2)cc1-c1cn(CCN(C2CCSCC2)C2CC2)nn1,LWMFIQRMZGBPNJ-UHFFFAOYSA-N
-rxn:1:60927:30148,COC1(C(F)(F)F)CN(C(=O)Cn2cc(CSc3nc4c(cc3C#N)CCC4)nn2)C1,KEZMWEODVWHZQA-UHFFFAOYSA-N
-rxn:1:60929:11999,COC1(C(F)(F)F)CN(CCn2cc(CSc3nc4c(c(=O)[nH]3)C3(CCCC3)Cc3ccccc3-4)nn2)C1,GKEAEJRLEPAKJZ-UHFFFAOYSA-N
-rxn:1:60929:23030,COC1(C(F)(F)F)CN(CCn2cc(CSc3nc4c(c(=O)[nH]3)C3(CCCCC3)Cc3ccccc3-4)nn2)C1,ULUQPIHAJLZKLF-UHFFFAOYSA-N
-rxn:1:60932:11999,COC1(C(F)(F)F)CCN(CCn2cc(CSc3nc4c(c(=O)[nH]3)C3(CCCC3)Cc3ccccc3-4)nn2)CC1,PGACISAYDXCGBK-UHFFFAOYSA-N
-rxn:1:60964:1520,CCN(Cc1cn(CCN2CC(COC)C3(CCCC3)C2)nn1)S(=O)(=O)c1cccs1,HOANSKKDEIVQHC-UHFFFAOYSA-N
-rxn:1:60966:11174,O=S(=O)(c1cccs1)N(Cc1cn(CCN2CC(CO)C3(CCCC3)C2)nn1)C1CC1,MLFHBJUBZSFNJV-UHFFFAOYSA-N
-rxn:1:61008:16013,ON=Cc1cn(-c2ccc(-c3cn(CCN4CC5CCC(F)(F)C5C4)nn3)cc2)nc1C1CCCC1,UEHYQOPDZQYQTN-UHFFFAOYSA-N
-rxn:1:61020:12106,C=CCN1C(=O)c2c(sc3c2CCC3)NC1SCc1cn(CCN2CCN(CCF)CC2)nn1,JMQWJOSYPWGYQZ-UHFFFAOYSA-N
-rxn:1:61020:31599,CC(C)(C)OC(=O)N1CCc2cc(-c3cn(CCN4CCN(CCF)CC4)nn3)cnc2C1,OKRRAANPERAGBE-UHFFFAOYSA-N
-rxn:1:61020:32346,CC(C)(C)OC(=O)N1CCc2c(N)ccc(-c3cn(CCN4CCN(CCF)CC4)nn3)c2C1,HBOOUGXAGZUSGX-UHFFFAOYSA-N
-rxn:1:61020:32797,Cc1cccc2c1N(C(=O)COCc1cn(CCN3CCN(CCF)CC3)nn1)CCC2,DAEZGCHHNFEVLR-UHFFFAOYSA-N
-rxn:1:61020:7053,CC(C)(C)OC(=O)N1CCc2sccc2C1c1cn(CCN2CCN(CCF)CC2)nn1,QMDLWJYSIVHQCD-UHFFFAOYSA-N
-rxn:1:61022:15978,ON=Cc1cn(-c2ccc(-c3cn(CCN4CC5CCCC(F)(F)C5C4)nn3)cc2)nc1C1CCC1,PSGZAKXARFXEKY-UHFFFAOYSA-N
-rxn:1:61022:16013,ON=Cc1cn(-c2ccc(-c3cn(CCN4CC5CCCC(F)(F)C5C4)nn3)cc2)nc1C1CCCC1,ONMOZOSNQKPAAF-UHFFFAOYSA-N
-rxn:1:61022:16083,ON=Cc1cn(-c2ccc(-c3cn(CCN4CC5CCCC(F)(F)C5C4)nn3)cc2)nc1CC1CC1,YLHBHSKFFKOKLQ-UHFFFAOYSA-N
-rxn:1:61022:17242,ON=Cc1cc(CC2CC2)n(-c2ccc(-c3cn(CCN4CC5CCCC(F)(F)C5C4)nn3)cc2)n1,UOWNPRNBHGTJSD-UHFFFAOYSA-N
-rxn:1:61022:17243,ON=Cc1cc(C2CCCCC2)n(-c2ccc(-c3cn(CCN4CC5CCCC(F)(F)C5C4)nn3)cc2)n1,WHWLFULOGKPCAZ-UHFFFAOYSA-N
-rxn:1:61032:29664,O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)cc1-c1cn(CCN2CCN(C3CCCCC3)CC2)nn1,JSKHRTPKTCYNLH-UHFFFAOYSA-N
-rxn:1:61115:9032,CCSc1nc2c(c(=O)[nH]1)C1(C(=O)N(Cc3cn(CCN4CC(F)(F)C4)nn3)c3ccccc31)C(C#N)=C(N)N2,FOMDKNZZRDHVCV-UHFFFAOYSA-N
-rxn:1:61117:9032,CCSc1nc2c(c(=O)[nH]1)C1(C(=O)N(Cc3cn(CCN4CCC(F)(F)C4)nn3)c3ccccc31)C(C#N)=C(N)N2,NZHQCQKJFIVOPC-UHFFFAOYSA-N
-rxn:1:61146:4986,CCOCC(=O)N1CC(n2cc(CN3CC4(CCNCC4)Nc4cc5c(cc43)OCCO5)nn2)C1,AQEMVCBXOGXELP-UHFFFAOYSA-N
-rxn:1:61198:24105,COCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(-c3cn(C4CN(C(=O)c5cn[nH]c5)C4)nn3)c(F)ccc2c1,XNLDIBOUAUGSBJ-UHFFFAOYSA-N
-rxn:1:61203:31640,COCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(-c3cn(C4CN(C(=O)c5csc(C)n5)C4)nn3)cccc2c1,WKPIFOAKGPQMSV-UHFFFAOYSA-N
-rxn:1:61266:29661,O=[N+]([O-])c1ccc(N2CCCC(C(F)(F)F)C2)cc1-c1cn(C2CN(C3CCSCC3)C2)nn1,ODUPADCCUPYICI-UHFFFAOYSA-N
-rxn:1:61281:9032,CCSc1nc2c(c(=O)[nH]1)C1(C(=O)N(Cc3cn(C4CN(CC(F)(F)F)C4)nn3)c3ccccc31)C(C#N)=C(N)N2,VZRYHLUKPKSPIT-UHFFFAOYSA-N
-rxn:1:61312:33297,CCOCCN1CC(n2cc(-c3ccc(C(=O)N4CC=C(C(=O)OC)CC4)c(Cl)c3)nn2)C1,IFKMCWQHNAUUMS-UHFFFAOYSA-N
-rxn:1:61963:15731,O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1-n1cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nc2C2CCCC2)nn1,ZKHWLQJPNKFZLU-UHFFFAOYSA-N
-rxn:1:62271:27993,CC(C)(O)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,BIOZLALQFVCGSA-UHFFFAOYSA-N
-rxn:1:62271:3895,NC1CC(O)(c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)C1,OYRYOQDJXOTYOR-UHFFFAOYSA-N
-rxn:1:62271:39123,C=CC(O)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,DHZKJWRKNOHBNQ-UHFFFAOYSA-N
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-rxn:1:62271:39739,C=C[C@](C)(O)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,NEZAGFHRRSBMHY-JXWFKOOGSA-N
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-rxn:2:110698:142061,CC(CCCN(C)C(C)C)NCCN1CCC[C@H](F)C1,SXVOXQQDDFMQQT-LYKKTTPLSA-N
-rxn:2:110932:167576,CC1CCN(CC(CNC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)N2CCCC2)CC1,MCDZIBLNOJOVOZ-UHFFFAOYSA-N
-rxn:2:111724:167576,CN1CCCC(N(C)C2CCCCCC2NC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)C1,VZPZSFCUXPTOKZ-UHFFFAOYSA-N
-rxn:2:113378:146516,CN(C)c1ccc(-c2cccc3c2C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CO3)cc1,LFCDUBJOHMHEIY-UHFFFAOYSA-N
-rxn:2:113378:156578,CCn1ncc2cc(-c3ccc4c(c3)C(NOCC3CCN(C5CCS(=O)(=O)C5)CC3)CO4)ccc21,GMWYYDNUPSXEMK-UHFFFAOYSA-N
-rxn:2:114200:167576,CC(C)N1CCC(N2CCCCC2CNC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)C1,WERTVIMAHAWYAE-UHFFFAOYSA-N
-rxn:2:114531:166005,Cc1oc(CN2CCCSCC2)cc1CNC1CCN(c2cccc(S(C)(=O)=O)c2)CC1,XTNYXSCAMBZRPQ-UHFFFAOYSA-N
-rxn:2:116252:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cc(C3CCCC3)n(C3CCCC3)n2)cn1,FMQJODRVGDZZGP-UHFFFAOYSA-N
-rxn:2:116567:166041,COc1cc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)ccc1COC1CCC1,FOPNIKFOKYKPKD-UHFFFAOYSA-N
-rxn:2:117066:138642,Cc1oc(CNC(C)c2ccc(OS(=O)(=O)[O-])cc2)cc1CN1CCN(C2CC2)CC1,RRRHAEGBOZMPMC-UHFFFAOYSA-M
-rxn:2:117066:141581,CC(NCC1CCN(Cc2ccc(C3CC3C)o2)CC1)c1ccc(OS(=O)(=O)[O-])cc1,CSHSMTQXYJERKH-UHFFFAOYSA-M
-rxn:2:117602:120261,CC(CCN(C)C(C)C)NCCCCN1CCC(F)(F)CC1,KQDDHHPWQNGYEK-UHFFFAOYSA-N
-rxn:2:117828:166041,COc1ccc(CN2CCN(C)CC2)cc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,XASPMZTUDHFYBZ-UHFFFAOYSA-N
-rxn:2:119530:120702,Cc1ccc(CNC2CCC3(CC2)C(C(C)C)C3(F)F)c(N2CCC(N(C)C)CC2)n1,GMUKOVHNDUOYMK-UHFFFAOYSA-N
-rxn:2:119882:151752,CC(NCC1CCCN(CC2CCN(C)C2)C1)c1cc(-c2ccccc2)ccc1OS(=O)(=O)F,DIJWHCOJHWGOBU-UHFFFAOYSA-N
-rxn:2:120104:166005,COc1ccc(C(CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)N2CCOCC2)cc1,BCXQIEMUXOGVSW-UHFFFAOYSA-N
-rxn:2:120273:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc(N3CCN(CCN(C)C)CC3)cc1)CC2,WPFUVPSSNWWRFZ-UHFFFAOYSA-N
-rxn:2:120592:150810,COCCN1CCN(c2ncccc2NC(C)c2ccc(-c3ccc(=O)n(C(C)C)c3)c3c2OCO3)CC1,XTCLSMXVUOXGPN-UHFFFAOYSA-N
-rxn:2:120592:159696,COCCN1CCN(c2ncccc2NC(C)c2ccc(-c3ccc(OC(C)C)nc3)c3c2OCO3)CC1,JMRLECAISQTYID-UHFFFAOYSA-N
-rxn:2:121570:164678,COc1ccc(SC2CCC(NC3CCC(OS(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1,HJXDPADJBONZIU-UHFFFAOYSA-N
-rxn:2:121749:140202,CC(NC12CC(CN3CCOCC3)(C1)C2)c1ccc(OS(C)(=O)=O)cc1,AYAYZVIDYKIBDI-UHFFFAOYSA-N
-rxn:2:122613:166005,COc1ccc(CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)cc1CN1CCOCC1,SYSJEIXXWYIJBX-UHFFFAOYSA-N
-rxn:2:124045:166041,COc1cccc(CN2CCC(CNC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)CC2)c1,GRVFZIXABOASDF-UHFFFAOYSA-N
-rxn:2:124095:166041,COc1ccc(CN2CCC(CNC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1,GECHRNHEILBTFA-UHFFFAOYSA-N
-rxn:2:124164:166041,CCN1CC2(C1)CN(Cc1ccc(NC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)nc1)C2,GGDDXJJJILBODC-UHFFFAOYSA-N
-rxn:2:124255:120702,CC(C)C1C(F)(F)C12CCC(Nc1c(C3CC3)c(C3(C)CC3)nn1C)CC2,PXHNHSJLMMKUCE-UHFFFAOYSA-N
-rxn:2:124407:167576,CC1CCN(C2(CNC(c3ccc(S(C)(=O)=O)cc3)c3cccs3)CCN(C)CC2)C(C)C1,KSHNVAKKGKYRHV-UHFFFAOYSA-N
-rxn:2:125295:133839,O=S(=O)(F)CC1CC(NCCc2ccn(S(=O)(=O)C3CCCC3)c2)C1,WCAXQLPVJMGGLP-UHFFFAOYSA-N
-rxn:2:126555:166041,COC1CCN(Cc2ccc(CNC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)cc2)CC1,QDIPLEIQIGMMRJ-UHFFFAOYSA-N
-rxn:2:126696:166041,CCc1ccc(CN2CCCC(NC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)C2)s1,UIXVXCWQEJLYSX-UHFFFAOYSA-N
-rxn:2:127146:166005,CC1CN(Cc2ccoc2CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)CCO1,HRMJOOQNFPRPHK-UHFFFAOYSA-N
-rxn:2:128522:140202,CC(N[C@@H]1COC[C@H]1N1CCN(C)CC1)c1ccc(OS(C)(=O)=O)cc1,IGLBKYLBXDUNBR-KNHHTTPFSA-N
-rxn:2:128608:148822,CN(C)C(NC(c1ccc(S(C)(=O)=O)cc1)C1CCCCC1)c1ccc2c(c1)CCCS2,WHWZPPOWXCBDMV-UHFFFAOYSA-N
-rxn:2:128822:161396,O=S1(=O)CCC(OCCNC2COc3ccc(-c4cnc(N5CCOCC5)nc4)cc32)C1,CHKVLWCGEMTITK-UHFFFAOYSA-N
-rxn:2:128835:126600,Cc1ccc(C(C)NCC2CN(C)CCC(C)N2Cc2ccccn2)c(OS(=O)(=O)F)c1,WKTVOVPMTHPZRH-UHFFFAOYSA-N
-rxn:2:129505:166005,CN(C)C1CCN(Cc2cccnc2NC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)CC1,GFLUIARNEWSHQE-UHFFFAOYSA-N
-rxn:2:131445:166041,COc1ccc(C2CCC(NC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)C2)cc1,XAOVXPKYBYYIKK-UHFFFAOYSA-N
-rxn:2:131670:119754,CCC1C(F)(F)C12CCC(Nc1cnc(N(C)C)nc1N1CCOCC1)CC2,GHFKCKORVHRRLG-UHFFFAOYSA-N
-rxn:2:133061:166005,Cc1ccc(C2CN(C)C(CNC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)CO2)c(C)c1,ZBLYQOIDOPOHKZ-UHFFFAOYSA-N
-rxn:2:133141:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CC2CN2CCC(C)CC2)cn1,RJUOLJXVMKLBRG-UHFFFAOYSA-N
-rxn:2:133605:151752,CC(NC1(C2CCSCC2)CCN(C)CC1)c1cc(-c2ccccc2)ccc1OS(=O)(=O)F,QGDIXVWBIVQLKQ-UHFFFAOYSA-N
-rxn:2:134072:143973,O=S(=O)(F)c1ccccc1C1CC1CNC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,ZEAPOYFGZIXWRJ-UHFFFAOYSA-N
-rxn:2:134936:166005,COc1ccc(NC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)cc1CN1CCOCC1,AKZHQYVYNNTFIB-UHFFFAOYSA-N
-rxn:2:135096:167576,CS(=O)(=O)c1ccc(C(NCCN2CCN(C3CCCSC3)CC2)c2cccs2)cc1,JOWKLUKKJFRSJI-UHFFFAOYSA-N
-rxn:2:135549:152265,CC1(O[Si](C)(C)C(C)(C)C)CC(Nn2ccc3nc(N4CCCC4)ncc3c2=O)C1,AYYJKWSIBYGTHN-UHFFFAOYSA-N
-rxn:2:136220:164935,CCN1CCC2(C1)CN(CCNC(C)c1sccc1-c1ccc(S(C)(=O)=O)c(C)c1)C2,QXWKQBBJEWHKSI-UHFFFAOYSA-N
-rxn:2:136378:142501,CS(=O)(=O)OCCN1CCC(NCc2ccc3cc(N4CCOCC4)ccc3n2)CC1,ADGFAXMVZAXMTC-UHFFFAOYSA-N
-rxn:2:136378:144940,CN1CCN(c2nccc3ccc(NC4CCN(CCOS(C)(=O)=O)CC4)cc23)CC1,GZTDBPVIQLPBBY-UHFFFAOYSA-N
-rxn:2:136378:148195,CS(=O)(=O)OCCN1CCC(Nc2cc(-c3cccc(N4CCOCC4)c3)no2)CC1,ZUAYWULCGBZJNY-UHFFFAOYSA-N
-rxn:2:136805:155318,CCCc1cc(N2CCC(NCC3C(c4cnc(OC)nc4OC)C3(F)F)CC2)nc(-c2cccnc2)n1,JDTXQLBDVXMPOT-UHFFFAOYSA-N
-rxn:2:136947:166005,Cc1cccc(C2CN(C)C(CNC3CCN(c4cccc(S(C)(=O)=O)c4)CC3)CO2)c1,BMEZIVUQGPLAJJ-UHFFFAOYSA-N
-rxn:2:137455:166041,COc1ccc(CN2CCCC2)cc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,INGYYGFLDFYPEM-UHFFFAOYSA-N
-rxn:2:137471:155041,CC(CCO[Si](C)(C)C(C)(C)C)Nn1ccc2nc(N3CCCCC3)ncc2c1=O,OKSPEXWRWLBOOT-UHFFFAOYSA-N
-rxn:2:139135:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCN(CC3CCCC3)C2)cn1,DQRZYTGPBOTARU-UHFFFAOYSA-N
-rxn:2:139208:151211,CC(NCC1CCCN(C2CCN(C)CC2)C1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1,CSVSQUIVIZXXGF-UHFFFAOYSA-N
-rxn:2:139208:151400,CC(NCC1CCCN(C2CCN(C)CC2)C1)c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1,NXTUOXMMQFCIRI-UHFFFAOYSA-N
-rxn:2:139208:155425,CC(NCC1CCCN(C2CCN(C)CC2)C1)c1ccccc1-c1ccc(S(C)(=O)=O)cc1,MOSIHYCOTZLFSX-UHFFFAOYSA-N
-rxn:2:139310:143097,CC(NCC1CC(OS(C)(=O)=O)C1)c1cccc(-c2ccnc(N3CCN(C)CC3)c2)n1,XFENCZBHRUTLDD-UHFFFAOYSA-N
-rxn:2:139310:145413,CC(NCC1CC(OS(C)(=O)=O)C1)c1cccc(-c2ccc(N3CCN(C)CC3)nc2)n1,AFZWOFHVDVKHMJ-UHFFFAOYSA-N
-rxn:2:139310:162854,CC(NCC1CC(OS(C)(=O)=O)C1)c1ccc(-c2ccc(N3CCN(C)CC3)nc2)cn1,MRQJOXZWAHRPOW-UHFFFAOYSA-N
-rxn:2:139425:120702,CC(C)C1C(F)(F)C12CCC(NCC(C)(C(C)C)N(C)C1CCCC1)CC2,WUZAOBZPXPABSO-UHFFFAOYSA-N
-rxn:2:140217:167576,CC(CN1CCC(CN2CCCC2)CC1)NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,RMCXEMMTXZLDHC-UHFFFAOYSA-N
-rxn:2:140318:149213,COc1cc(-c2ccc(C(C)NC3CCCCC3OS(C)(=O)=O)c3c2OCO3)ccc1C,JTKBYOVLVGHCKN-UHFFFAOYSA-N
-rxn:2:140318:159696,CC(C)Oc1ccc(-c2ccc(C(C)NC3CCCCC3OS(C)(=O)=O)c3c2OCO3)cn1,CPSHNMIVTAROIE-UHFFFAOYSA-N
-rxn:2:140318:162583,CS(=O)(=O)OC1CCCCC1NC(c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1)C1CC1,NOZZSWKCZPAKFB-UHFFFAOYSA-N
-rxn:2:141236:166041,CCN1CCN(c2nccc(CNC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)n2)CC1,XCDVBYLQGZSZOX-UHFFFAOYSA-N
-rxn:2:142064:167576,CN1CCCN(C2(CNC(c3ccc(S(C)(=O)=O)cc3)c3cccs3)CCSC2)CC1,OUSVUGBLVCFRSV-UHFFFAOYSA-N
-rxn:2:65837:120702,CC(C)C1C(F)(F)C12CCC(NCCCN(C)C1CC1)CC2,ZCXOZIHGBUJLAU-UHFFFAOYSA-N
-rxn:2:66785:110698,CC(CCCN(C)C(C)C)NCCCN1CCCC(F)(F)C1,KXSSQSGGURXEPQ-UHFFFAOYSA-N
-rxn:2:68310:166005,CN1CCN(C(CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)c2ccsc2)CC1,YUNKRIJEDFGSOF-UHFFFAOYSA-N
-rxn:2:68439:151211,CC(NCC1CCN(C2CCN(C)CC2)C1)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1,DEACFZKBSYIXOB-UHFFFAOYSA-N
-rxn:2:68439:151400,CC(NCC1CCN(C2CCN(C)CC2)C1)c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1,GKJRNFCJDJHQHS-UHFFFAOYSA-N
-rxn:2:68439:151752,CC(NCC1CCN(C2CCN(C)CC2)C1)c1cc(-c2ccccc2)ccc1OS(=O)(=O)F,IYENDAYKAMJQLD-UHFFFAOYSA-N
-rxn:2:68439:155425,CC(NCC1CCN(C2CCN(C)CC2)C1)c1ccccc1-c1ccc(S(C)(=O)=O)cc1,OTYNIBTZOURRHG-UHFFFAOYSA-N
-rxn:2:69793:158988,COCCOc1ccc(-c2cc3c(cc2C)CCC3Nc2cnc(N3CCCC3)nc2N2CCCC2)cn1,DINYMIDXHBRWRF-UHFFFAOYSA-N
-rxn:2:69927:109407,CN1CCC2(C1)Oc1ccccc1C2CNCCN1CCS(=O)(=O)CC1,NKOKOQNJOMWZKM-UHFFFAOYSA-N
-rxn:2:69976:166005,Cc1ccccc1CN1CCOC(CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)C1,HIWOAWOXSONOPE-UHFFFAOYSA-N
-rxn:2:70016:146096,O=S1(=O)CCC(OCCNC2COc3ccc(-c4ccc(N5CCCC5)nc4)cc32)CC1,LIMJLHMISUGVMK-UHFFFAOYSA-N
-rxn:2:70016:161396,O=S1(=O)CCC(OCCNC2COc3ccc(-c4cnc(N5CCOCC5)nc4)cc32)CC1,ZBMBLBFYHGBFKO-UHFFFAOYSA-N
-rxn:2:70016:162246,O=S1(=O)CCC(OCCNC2COc3cc(-c4ccc(N5CCOCC5)nc4)ccc32)CC1,HSWRXEUDKAGOAE-UHFFFAOYSA-N
-rxn:2:70416:161224,Cc1cc(C)c2c(c1)N(CCNC(c1c[nH]c(C(=O)/N=C/N(C)C)c1)c1ccccc1C)CCN(C)C2,UZJLAFRUHDDTKF-FMFFXOCNSA-N
-rxn:2:70416:161879,Cc1cc(C)c2c(c1)N(CCNC(c1c[nH]c(C(=O)N=CN(C)C)c1)c1ccccc1C)CCN(C)C2,UZJLAFRUHDDTKF-UHFFFAOYSA-N
-rxn:2:71022:91308,CCC(NC(C)CN(C)C1CCC1)C1CCC(F)(F)CC1,UPQUJRYEJPEDRY-UHFFFAOYSA-N
-rxn:2:71548:123092,COCCc1cc(N2CCC(NCCN3CCC3c3ccc4c(c3)OCCCO4)CC2)ncn1,RGYFSLXTWPLKAI-UHFFFAOYSA-N
-rxn:2:71558:167576,CC1CN(C)CC(CNC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)N1C1CCCC1,VVPYKPQDXJSZGJ-UHFFFAOYSA-N
-rxn:2:71944:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2ccc(N3CCN(C4CCCC4)CC3)cc2)cn1,KYEVMDCEUOKWSW-UHFFFAOYSA-N
-rxn:2:72611:148822,CN(C)C(c1ccncc1)C1CC(NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)C1,VTUIKBXECJXSNO-UHFFFAOYSA-N
-rxn:2:72860:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cc3c(c(CN4CCCCC4)c2)OCOC3)cn1,NUKZAKQAOYSGMJ-UHFFFAOYSA-N
-rxn:2:72977:166041,COc1cc(CNC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC1CCCC1,VWFUQQYGEBMPJQ-UHFFFAOYSA-N
-rxn:2:73080:114454,CCS(=O)(=O)C(CNc1ccc(OC)c(OS(=O)(=O)F)c1)C1CCCCC1,IFSFBAFTOSCWFK-UHFFFAOYSA-N
-rxn:2:73080:114650,COc1ccc(NC(c2ccc(CN3CCOCC3)cc2)C2CCCCC2)cc1OS(=O)(=O)F,MWSLYCCWUXGMRK-UHFFFAOYSA-N
-rxn:2:73080:118720,COc1ccc(NC(c2ccc(CN3CCCCC3)cc2)C2CCCC2)cc1OS(=O)(=O)F,VSEGWRAHJCXOTB-UHFFFAOYSA-N
-rxn:2:73080:134492,COc1ccc(NC2CCN(C3CCN(c4ccccc4)CC3)CC2)cc1OS(=O)(=O)F,COAIHSCIHZFBRM-UHFFFAOYSA-N
-rxn:2:73080:141112,COc1ccc(NC(CCN2CCN(C3CCCC3)CC2)c2ccccc2)cc1OS(=O)(=O)F,LZOZRRLHOXHDPT-UHFFFAOYSA-N
-rxn:2:73080:74708,COc1ccc(NC2CCN(CCc3ccc4c(c3)CCCO4)CC2)cc1OS(=O)(=O)F,HWRAPGVLLWIWBC-UHFFFAOYSA-N
-rxn:2:73080:83361,COc1cc(C(C)Nc2ccc(OC)c(OS(=O)(=O)F)c2)ccc1OC1CCCCCC1,IIXLPEVQJVEWRO-UHFFFAOYSA-N
-rxn:2:73080:85399,COc1ccc(NC(c2ccc(CN3CCCC3)cc2)C2CCCCC2)cc1OS(=O)(=O)F,BFNQVWUATNGJPK-UHFFFAOYSA-N
-rxn:2:73080:96800,COc1ccc(NC(c2cccc(CN3CCCC3)c2)C2CCCCC2)cc1OS(=O)(=O)F,BTZPAHQOJXIXOX-UHFFFAOYSA-N
-rxn:2:73080:98722,COc1ccc(NC(c2cccc(CN3CCCCC3)c2)C2CCCC2)cc1OS(=O)(=O)F,PGSUOIYLZMDOEV-UHFFFAOYSA-N
-rxn:2:73080:99201,COc1ccc(NC(c2ccc(CN3CCCCC3)cc2)C2CCCCC2)cc1OS(=O)(=O)F,GNKRWCUIJQXABW-UHFFFAOYSA-N
-rxn:2:73596:160249,CCN1CCN(C2(CNC(C)c3ccccc3-c3cccc4cc[nH]c(=O)c34)CCN(C)CC2)CC1,SBLUYHKPOPNDIB-UHFFFAOYSA-N
-rxn:2:73596:161349,CCN1CCN(C2(CNC3c4ccccc4-c4ccc(-c5c[nH]c(=O)c(C)c5)cc43)CCN(C)CC2)CC1,SPQYOVMPUMKDLX-UHFFFAOYSA-N
-rxn:2:73697:126600,Cc1ccc(C(C)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c(OS(=O)(=O)F)c1,DOJQYNXYAWVIDC-UHFFFAOYSA-N
-rxn:2:73899:110220,O=S(=O)(c1cccs1)C1CCC(NCCCN2CCCN(c3cnccn3)CC2)CC1,RUAXYEJFPWLXSJ-UHFFFAOYSA-N
-rxn:2:74624:166005,CN(C)C(c1cccc(NC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)c1)C1CCCC1,IAMNDGZCZXKBPR-UHFFFAOYSA-N
-rxn:2:75954:119754,CCC1C(F)(F)C12CCC(NCCN(C)C(C)C)CC2,RXXPFFBDKWMNTK-UHFFFAOYSA-N
-rxn:2:76179:144179,CO[C@H]1CC[C@@H](CCCNC(C)c2ccc(-c3ccc(C4CC4)nc3)c3c2OCO3)CC1,VCSALCYITMVRAY-WSFQTCJWSA-N
-rxn:2:76442:110525,CCN1CCC(N(C)CCC(C)NCC(F)(F)CN2CCC2C)CC1,PLGYAHFHDGFORW-UHFFFAOYSA-N
-rxn:2:76532:144878,COC1CCOC2(CCN(CCCNC(C)c3c[nH]c4ccc(-c5ccc6c(cnn6C)c5)cc34)CC2)C1,AGFSYCNOAPDSOB-UHFFFAOYSA-N
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-rxn:2:77343:166041,COc1ccc(CN2CCC(CNC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)CC2)c(C)c1,HJVQJVVNFVFDST-UHFFFAOYSA-N
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-rxn:2:98242:166005,CN1CCC(Oc2ccccc2CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)CC1,TZEQLBZCAGOOLN-UHFFFAOYSA-N
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-rxn:1:11015:49333,CCN(Cc1cn([C@@H]2CCC[C@H]2N2CCN(C)CC2)nn1)S(=O)(=O)c1ccc(C)c(C)c1,NHQYRNWUQYUPJN-DHIUTWEWSA-N
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-rxn:1:11167:49316,CC(C)N(Cc1cn([C@@H]2CCCC[C@H]2N2CCCN(C)CC2)nn1)S(=O)(=O)c1cccs1,UFLYZFIDRWMBAC-NHCUHLMSSA-N
-rxn:1:11170:49355,CC1CCCCC1N(Cc1cn([C@@H]2CCC[C@H]2N2CCCN(C)CC2)nn1)S(=O)(=O)c1cccs1,BCUNXKCVTXIBKL-QMUXLKCJSA-N
-rxn:1:11170:61262,CC1CCCCC1N(Cc1cn(C2CN(C3CCCCCC3)C2)nn1)S(=O)(=O)c1cccs1,VDDQLVVDUARDSX-UHFFFAOYSA-N
-rxn:1:11170:61267,CC1CCCCC1N(Cc1cn(C2CN(C3CCOCC3)C2)nn1)S(=O)(=O)c1cccs1,RINUNNFVNCCDKV-UHFFFAOYSA-N
-rxn:1:11170:61269,CC1CCCCC1N(Cc1cn(C2CN(C3CCCCC3)C2)nn1)S(=O)(=O)c1cccs1,ZCXGLYHJYIQBGF-UHFFFAOYSA-N
-rxn:1:11170:61332,CC1CCCCC1N(Cc1cn(C2CN(CC3CCCO3)C2)nn1)S(=O)(=O)c1cccs1,KPQWWYZNTDLNKE-UHFFFAOYSA-N
-rxn:1:11423:43967,Cc1ccnc(N(Cc2cn([C@@H]3C[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O)nn2)S(=O)(=O)c2ccc(Br)cc2)c1,RIRDUBMLNWQEQI-TXTKFYIRSA-N
-rxn:1:11472:43967,Cc1ccnc(N(Cc2cn([C@@H]3C[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O)nn2)S(=O)(=O)c2ccc(Cl)cc2)c1,PKPBSZJZJRKERA-TXTKFYIRSA-N
-rxn:1:11489:49355,Cc1ccc(N(Cc2cn([C@@H]3CCC[C@H]3N3CCCN(C)CC3)nn2)S(=O)(=O)c2cccs2)cc1C,DIAFHOHMDOWFGB-JWQCQUIFSA-N
-rxn:1:13128:49465,Cc1ccc(S(=O)(=O)N2CCC(n3cc(-c4cccc(C(=O)N5CCC(N6CCOCC6)CC5)c4)nn3)CC2)s1,XANAFUFSHOVIBX-UHFFFAOYSA-N
-rxn:1:1426:56691,N#CC1(c2ccc(C3CC3Cn3cc(CN4CCCC5(CC5)S4(=O)=O)nn3)cc2)CC1,KDQCSAMLORITHG-UHFFFAOYSA-N
-rxn:1:1426:60227,CN(Cc1ccccc1)[C@@H]1CCCC[C@H]1n1cc(CN2CCCC3(CC3)S2(=O)=O)nn1,AELHIFYWEUTRCN-FGZHOGPDSA-N
-rxn:1:14815:65612,C=C1C[C@@]2(CC)[C@H](CCC2(OS(=O)(=O)[O-])c2cn(C[C@@H]3CO3)nn2)[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]12,KRNLAIHGCMPIGR-KDWKSVPBSA-M
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-rxn:1:14889:59063,COc1cc(Cl)ccc1S(=O)(=O)n1cc([C@]2(OS(=O)(=O)[O-])CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]32C)nn1,UGRHQLPDLCXXPW-IWLPBSDTSA-M
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-rxn:1:14889:59228,CN1C(=O)Cc2cc(S(=O)(=O)n3cc([C@]4(OS(=O)(=O)[O-])CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@@H]7[C@H]6CC[C@@]54C)nn3)ccc21,KXRJECYEJCWVEU-QFUSBJPLSA-M
-rxn:1:14889:59439,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(OS(=O)(=O)[O-])c1cn(-c2cccc3ccc(S(=O)(=O)Cl)cc23)nn1,CDHGKZLXFRSKEV-ZRQCHPQSSA-M
-rxn:1:16863:59756,N#Cc1ccccc1S(=O)(=O)N1CCCC(n2cc(-c3cnn(C4CCSCC4)c3C3CCC3)nn2)C1,ZFICGGSFVOMERC-UHFFFAOYSA-N
-rxn:1:17243:49468,N#Cc1ccccc1S(=O)(=O)N1CCC(n2cc(-c3ccc(-n4nc(C=NO)cc4C4CCCCC4)cc3)nn2)CC1,BYJJXBNUHBMCMG-UHFFFAOYSA-N
-rxn:1:17351:59833,Cc1cc(-n2nc(-c3cn(S(=O)(=O)NC45CC6CC(CC(C6)C4)C5)nn3)cc2C2CCC2)ccc1O,QJIOQFZIDRLNLI-UHFFFAOYSA-N
-rxn:1:18131:49460,Cc1nc(S(=O)(=O)N2CCC(n3cc(-c4c5c(nn4C4CCSCC4)CCN(Cc4ccccc4)C5)nn3)CC2)cn1C,AECGOGCPBBCGGE-UHFFFAOYSA-N
-rxn:1:18131:59744,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(-c4c5c(nn4C4CCSCC4)CCN(Cc4ccccc4)C5)nn3)C2)s1,RUXMYQSURFCQNK-UHFFFAOYSA-N
-rxn:1:20217:59744,Cc1ccc(S(=O)(=O)N2CCCC(n3cc(-c4cc(C(C)C)nn4C(C)C4CCSCC4)nn3)C2)s1,JNBJWTWFOLZHFS-UHFFFAOYSA-N
-rxn:1:20540:60642,CC(C1CCSCC1)n1nc(C2CC2)cc1-c1cn(C2CCN(S(=O)(=O)c3cn(C)cn3)C2)nn1,JABLVZIGTCULMZ-UHFFFAOYSA-N
-rxn:1:21167:60679,C[C@H]1CC2=C(SC=C[C@H]2n2cc(-c3cc(C4CCCCC4)nn3C(c3ccc(F)cc3)C3CC3)nn2)S1(=O)=O,JDPQDQQHTJPWQV-OZAUTCCASA-N
-rxn:1:23663:44564,CN(Cc1cn(CCC#Cc2cnc(N(C)C)nc2)nn1)C(=O)[C@@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1,MIECYVGPOUKJNO-FQRUVTKNSA-N
-rxn:1:23663:45671,COc1ncc(C=CCCn2cc(CN(C)C(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)nn2)cn1,MRTAORATMMXHEQ-KBMIEXCESA-N
-rxn:1:28057:49479,NC(=O)CC=Cc1cccc(-c2cn(C3CCN(S(=O)(=O)N4CCCC4)CC3)nn2)c1,RNOYKNBOZZHZCH-UHFFFAOYSA-N
-rxn:1:28059:49480,NC(=O)CC=Cc1ccc(-c2cn(C3CCN(S(=O)(=O)N4CCOCC4)CC3)nn2)cc1,BZAQEGFGTHNHRU-UHFFFAOYSA-N
-rxn:1:28059:59777,NC(=O)CC=Cc1ccc(-c2cn(C3CCCN(S(=O)(=O)N4CCCC4)C3)nn2)cc1,JVVGTFPBAIGNFE-UHFFFAOYSA-N
-rxn:1:32419:48616,Cc1ccc(C(O)C(O)CCn2cc(CSC3=NC(=CN(C)C)C(=O)N3)nn2)c(Cl)c1,SLGFTGPKCNIMKG-UHFFFAOYSA-N
-rxn:1:32419:48620,Cc1ccc(C(O)C(O)CCn2cc(CSC3=NC(=CN(C)C)C(=O)N3)nn2)c(F)c1,BKMCMMVXXKQXIZ-UHFFFAOYSA-N
-rxn:1:32419:49221,Cc1ccc(C(O)C(O)CCn2cc(CSC3=NC(=CN(C)C)C(=O)N3)nn2)c(Br)c1,VESLGAPKBHKEEC-UHFFFAOYSA-N
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-rxn:2:68680:164011,CC(NCCCOC1CCN(C)CC1)c1ccccc1-c1cncc(N2CCCCC2)n1,SQMYZACUJKDGHW-UHFFFAOYSA-N
-rxn:2:68680:164398,CC(NCCCOC1CCN(C)CC1)c1ncccc1-c1ccc(N2CCCCC2)nc1,VUQOQLSYFMUHPC-UHFFFAOYSA-N
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-rxn:2:73596:149588,CCN1CCN(C2(CNC(C)c3ccc(-c4cccc5cc[nH]c(=O)c45)cn3)CCN(C)CC2)CC1,KEOSFWVHYAPUAM-UHFFFAOYSA-N
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-rxn:2:79124:140981,CCC(C(NCC1(S(=O)(=O)C2CCCC2)COC1)c1ccccc1)N(C)C1CC1,OICFEOVHFWHOFL-UHFFFAOYSA-N
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-rxn:2:79124:162583,CS(=O)(=O)n1cc(-c2ccc(C(NCC3(S(=O)(=O)C4CCCC4)COC3)C3CC3)cc2)cn1,WUWODMQUCXYOHL-UHFFFAOYSA-N
-rxn:2:79124:163512,CCS(=O)(=O)c1ccc(-c2ncccc2C(C)NCC2(S(=O)(=O)C3CCCC3)COC2)cc1,WPQNGRMRINSYFO-UHFFFAOYSA-N
-rxn:2:79124:97430,Cc1ccc(C(CN(C)Cc2ccco2)NCC2(S(=O)(=O)C3CCCC3)COC2)s1,IYLVPYMEGISTKT-UHFFFAOYSA-N
-rxn:2:79437:161224,Cc1ccccc1C(NCCc1nc(C2CCC(F)(F)CC2)no1)c1c[nH]c(C(=O)/N=C/N(C)C)c1,FVIGWVZJNVESNO-WCMJOSRZSA-N
-rxn:2:79437:161879,Cc1ccccc1C(NCCc1nc(C2CCC(F)(F)CC2)no1)c1c[nH]c(C(=O)N=CN(C)C)c1,FVIGWVZJNVESNO-UHFFFAOYSA-N
-rxn:2:79800:158864,CS(C)(=O)=NS(=O)(=O)CCNC1CCc2c(-c3cnn(C4CCOCC4)c3)cccc21,OIFZMFVDMYHFEM-UHFFFAOYSA-N
-rxn:2:81189:146538,COc1ccc(C(NCC(OC)C2CCCO2)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,CNLXXHCPDIIHQI-UHFFFAOYSA-N
-rxn:2:81189:150884,COc1ccc(C(NCC(OC)C2CCCO2)c2c[nH]c(C(=O)/N=C/N(C)C)c2)cc1,CNLXXHCPDIIHQI-CVKSISIWSA-N
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-rxn:2:83663:150884,COc1ccc(C(NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)c2c[nH]c(C(=O)/N=C/N(C)C)c2)cc1,VSNVJMBZIMCXGG-HIDQBBBPSA-N
-rxn:2:84906:151444,COS(=O)(=O)c1ccc(-c2ccccc2C(C)NCC2CCCN(C3CCS(=O)(=O)C3)C2)cc1,KIJVCHSLVYKTPJ-UHFFFAOYSA-N
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-rxn:2:88564:151910,CCS(=O)(=O)c1ccc(NC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])c2cccnc12,KOTZKFRBXMQIQD-UHFFFAOYSA-M
-rxn:2:88564:80251,CC(C)C[C@@H](NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])c1cc(=O)o[nH]1,IJFBCTQMUIOSQD-QQKUXVQLSA-M
-rxn:2:88564:91103,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])n1c(=O)oc2cccnc21,DLICRSWOHVZKFR-UHFFFAOYSA-M
-rxn:2:88607:168049,CC(NCC1(N(C)C)CCN(C2CCCCCC2)C1)c1sccc1-c1cccc2[nH]c(=O)oc12,QGBOVZGKGJUGDL-UHFFFAOYSA-N
-rxn:2:89404:111376,CCS(=O)(=O)C(C)C(NCC(c1ccccn1)N1CCCSCC1)c1ccc(OC)cc1,AXBLFYXXDFZUSI-UHFFFAOYSA-N
-rxn:2:89497:160431,COc1ccc2c(c1)C(CNC1CCCCCC1OS(=O)(=O)c1ccc(C)cc1)CCCO2,NAOVUMRETREPNS-UHFFFAOYSA-N
-rxn:2:89497:164704,COc1ccc2c(c1)C(CNC1CCCCC1OS(=O)(=O)c1ccc(C)cc1)CCCO2,QDILRKCVRLMCBX-UHFFFAOYSA-N
-rxn:2:89562:152317,CC(NC(C)C(c1cccnc1)N1CCCCCC1)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2,KSPMDQSSRFQYKM-UHFFFAOYSA-N
-rxn:2:90854:110698,CC(CCCN(C)C(C)C)NCC1(F)CCCCCC1,PKXOAKMLEWUHKQ-UHFFFAOYSA-N
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-rxn:2:91415:111376,CCS(=O)(=O)C(C)C(NC1(c2ncc[nH]2)CC(C)CC(C)(C)C1)c1ccc(OC)cc1,SAPFBAGLPNIQJO-UHFFFAOYSA-N
-rxn:2:92755:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC(CN(C)C)N2CCCC2)cn1,PWBUGKBNJBIYDW-UHFFFAOYSA-N
-rxn:2:93394:144768,CN(CC1CCCC1NC(c1ccc(-c2ccc(C3CC3)nc2)cc1)c1ncc[nH]1)C1CCS(=O)(=O)C1,VTUOWCCKIIZKBJ-UHFFFAOYSA-N
-rxn:2:93993:146538,COc1ccc(C(Nc2nccc(N(C)[C@@H]3CCCC[C@H]3F)n2)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,LUOYDDJUZMCIHG-HDOOXHBUSA-N
-rxn:2:95216:152317,CCC(NC(C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2)c1ccc(N2CCCCCC2)nc1,ZUUTWJLCXMKDKY-UHFFFAOYSA-N
-rxn:2:96530:146153,COc1ccc(-c2ccc(C(CN3CCCC3)NCCC3CCN(C4CCS(=O)(=O)C4)C3)cc2)cc1,KCMDHYZXDXSZDQ-UHFFFAOYSA-N
-rxn:3:1032:49937:95472,CN1CCN(CCc2cn(CC3C(c4cn[nH]c4C(=O)Nc4cccc(OB=O)c4)C3(F)F)nn2)CC1,HJYIARNOGIJNIS-UHFFFAOYSA-N
-rxn:3:11519:49499:84943,C=C(C)C[N+](C)(C)Cc1cn(C[C@H]2C[C@H](C(=O)NCC3C(F)(F)C34CC4)C2)nn1,GELRPBDTEKRPTE-IBOPQAGSSA-O
-rxn:3:12213:60582:129199,C=CC[C@H](C(=O)NCC(C)C1CCO1)n1cc([C@@H]2CN(C)C[C@H]2F)nn1,XYCBAJKPCOPSJO-YVLDQAHJSA-N
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-rxn:3:12213:60582:156104,C=CC[C@H](C(=O)Nc1ccc2c(c1)C1(CCCO1)CS2(=O)=O)n1cc([C@@H]2CN(C)C[C@H]2F)nn1,SUHOZKFAIWRKGR-QNYJTYEESA-N
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-rxn:3:16821:61523:136751,CC(C)c1c(-c2cn(C3(C(=O)NCc4ccsc4S(=O)(=O)C4CC4)CCC3)nn2)cnn1C1CCCC1,XTBYUYKRBICYIA-UHFFFAOYSA-N
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-rxn:3:16875:46343:121443,CCn1ncc(-c2cn(CCC=Cc3nccc(C(=O)NOS(C)(=O)=O)c3F)nn2)c1C1CCCC1,WBKJNIAFWMHGLP-UHFFFAOYSA-N
-rxn:3:16875:64961:81931,CCn1ncc(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NCc5ccc(S(=O)(=O)F)s5)cn4)C3)nn2)c1C1CCCC1,NINRZUMSBAESED-UHFFFAOYSA-N
-rxn:3:16977:64961:81931,CCn1ncc(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NCc5ccc(S(=O)(=O)F)s5)cn4)C3)nn2)c1C1CCCCC1,IMCWFVJSTHIXNM-UHFFFAOYSA-N
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-rxn:1:54999:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(S(=O)(=O)c5ccc([N+](=O)[O-])cc5)nn4)ncn3)CC2)OC1(C)C,WJCKSGLIRCULLT-UHFFFAOYSA-N
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-rxn:1:59779:22570,N#Cc1cnn(-c2ccc(OCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)cc2)c1N,CQBUYPOZRGOLBU-UHFFFAOYSA-N
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-rxn:1:59779:30722,N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn1)c1ccccc12,IAVJUXUWHQAYMG-UHFFFAOYSA-N
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-rxn:1:59780:10376,Cc1sc2nc(SCc3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)[nH]c(=O)c2c1-c1cccs1,USTYFORHKQJIHI-UHFFFAOYSA-N
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-rxn:1:60139:32374,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2n2cc(C3(S(=O)(=O)c4ccccn4)CC3)nn2)c(F)c1,WZJJISOVVZHJMW-RMLALMNNSA-N
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-rxn:1:60658:10165,CC(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)C2)nn1,CHNCJTOUQBMXDA-UHFFFAOYSA-N
-rxn:1:60658:10166,CC(C)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)C2)nn1,BCLVOECCCASGSE-UHFFFAOYSA-N
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-rxn:1:60658:22570,N#Cc1cnn(-c2ccc(OCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)cc2)c1N,LIRXGAVXNOMTIB-UHFFFAOYSA-N
-rxn:1:60658:22571,N#Cc1cnn(-c2cccc(OCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c2)c1N,BJKSMPVHHLOOJS-UHFFFAOYSA-N
-rxn:1:60658:22572,N#Cc1cnn(-c2ccccc2OCc2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1N,MTYWALLHVXCNMR-UHFFFAOYSA-N
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-rxn:1:60888:29664,COC1CN(CCn2cc(-c3cc(N4CCC(C(F)(F)F)CC4)ccc3[N+](=O)[O-])nn2)CC1n1cccn1,VAFQUAPXDUIWIT-UHFFFAOYSA-N
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-rxn:1:61015:11170,CC1CCCCC1N(Cc1cn(CCN2CCCC(c3ccn(C)n3)C2)nn1)S(=O)(=O)c1cccs1,ZFXIGQOQEIAHQM-UHFFFAOYSA-N
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-rxn:1:61109:11170,CC1CCCCC1N(Cc1cn(CCN2CCC(CF)CC2)nn1)S(=O)(=O)c1cccs1,JRYMGFSCMLRCGA-UHFFFAOYSA-N
-rxn:1:61426:11170,CC1CCCCC1N(Cc1cn(Cc2ccc(C(=O)N3CCSCC3)o2)nn1)S(=O)(=O)c1cccs1,ZDODQNZYWUMYMB-UHFFFAOYSA-N
-rxn:1:61474:11170,CC1CCCCC1N(Cc1cn(Cc2ccc(C(=O)N3CCCN(C)CC3)s2)nn1)S(=O)(=O)c1cccs1,MTDULOWALSQRQO-UHFFFAOYSA-N
-rxn:1:61550:5511,CC(C)c1cc(OCc2cn(Cc3cc(OS(=O)(=O)F)cc(C(=O)O)c3)nn2)n2nc(C3CCOCC3)cc2n1,SUYBICSQDONUQG-UHFFFAOYSA-N
-rxn:1:61773:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(-c5cc(Cl)c(Cl)cc5[N+](=O)[O-])nn4)ncn3)CC2)OC1(C)C,HMBQYEARUBACKH-UHFFFAOYSA-N
-rxn:1:61923:16857,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4(O)C(O)C(CO)OC4n4cnc5c(=O)[nH]c(N)nc54)nn3)c2C2CCC2)cc1,KKARWAJACOUFJP-UHFFFAOYSA-N
-rxn:1:61924:29665,Nc1nc(-n2cc(-c3cc(N4CCC(F)(F)CC4)ccc3[N+](=O)[O-])nn2)nc2c1ncn2C1OC(CO)C(O)C1O,WVQDZUAUILNHTJ-UHFFFAOYSA-N
-rxn:1:62040:34012,CS(=O)(=O)OC1CN(C(=O)c2ccc(-c3cn([C@@H]4[C@H](O)[C@@H](CO)O[C@H]4n4ccc(=O)[nH]c4=O)nn3)cc2Cl)C1,JCXIOXHBUYJADM-XLBJILASSA-N
-rxn:1:62269:29664,Nc1ncnc2c1ncn2C1OC(Cn2cc(-c3cc(N4CCC(C(F)(F)F)CC4)ccc3[N+](=O)[O-])nn2)C(O)C1O,ZZMIHCDNMWNSQW-UHFFFAOYSA-N
-rxn:1:62290:29666,Nc1ncnc2c1ncn2C1OC(CO)(n2cc(-c3cc(N4CCC(F)(F)C4)ccc3[N+](=O)[O-])nn2)C(O)C1O,STEYHGWQLBMIFA-UHFFFAOYSA-N
-rxn:1:62297:10713,O=C(Nc1cccc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1)c1c[nH]c2c(C(F)(F)F)cccc2c1=O,PVNPWLBWYJNZBX-UHFFFAOYSA-N
-rxn:1:62297:20611,CC(c1cccc(F)c1F)n1nc(C2CC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,OQNKHPZHSBTNOT-UHFFFAOYSA-N
-rxn:1:62297:20864,CC(c1ccc(F)cc1F)n1nc(C2CCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,SHEUTANTXSTAMW-UHFFFAOYSA-N
-rxn:1:62297:20923,CC(c1cccc(F)c1F)n1nc(C2CCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,YFISSKNQZLSOPC-UHFFFAOYSA-N
-rxn:1:62297:21494,Cc1ccc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)cc1F,YHCNCVRPAUCMJC-UHFFFAOYSA-N
-rxn:1:62297:21496,Cc1ccc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c(F)c1,KGVUIAXZKYIYCZ-UHFFFAOYSA-N
-rxn:1:62297:21497,Cc1cc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)ccc1F,MISAFCLCQKPVEX-UHFFFAOYSA-N
-rxn:1:62297:21498,Cc1cc(F)ccc1Cn1nc(CC(C)C)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,YEUUKDABSQVINL-UHFFFAOYSA-N
-rxn:1:62297:21502,Cc1ccc(F)c(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1,RILKUFXKSREJKC-UHFFFAOYSA-N
-rxn:1:62297:21512,Cc1c(F)cccc1Cn1nc(CC(C)C)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,SXLKPJBIZNSWFW-UHFFFAOYSA-N
-rxn:1:62297:21513,Cc1ccc(F)cc1Cn1nc(CC(C)C)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,LWUFRWZZLJHEKM-UHFFFAOYSA-N
-rxn:1:62297:21529,Cc1cc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)ccc1Br,XYMXFYGRSTWDLS-UHFFFAOYSA-N
-rxn:1:62297:21534,Cc1ccc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)cc1Br,ZBLCTUUQTFBGMN-UHFFFAOYSA-N
-rxn:1:62297:21541,CC(C)Cc1cc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)n(Cc2cccc(Br)c2F)n1,QGRJPABALYIAPN-UHFFFAOYSA-N
-rxn:1:62297:21544,Cc1ccc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c(Br)c1,YPTRJZMKCFGYNP-UHFFFAOYSA-N
-rxn:1:62297:21545,Cc1ccc(Br)c(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1,DTWZMCUIIYPMPA-UHFFFAOYSA-N
-rxn:1:62297:21554,CC(C)Cc1cc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)n(Cc2cccc(F)c2Br)n1,MHTIXJZBJKFXIP-UHFFFAOYSA-N
-rxn:1:62297:21557,Cc1ccc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c(Cl)c1,PZBKBEDNWDYAFL-UHFFFAOYSA-N
-rxn:1:62297:21559,Cc1cccc(Cl)c1Cn1nc(CC(C)C)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,DBSLOELMJBIHMY-UHFFFAOYSA-N
-rxn:1:62297:21561,Cc1ccc(Cl)c(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1,JRGGSBBCFUSHES-UHFFFAOYSA-N
-rxn:1:62297:21570,CC(C)Cc1cc(-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)n(Cc2cccc(F)c2Cl)n1,PHNDNBYSXNYZJL-UHFFFAOYSA-N
-rxn:1:62297:21571,Cc1ccc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)cc1Cl,DRKHVPDNGWJUFM-UHFFFAOYSA-N
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-rxn:3:56432:6404:66645,CN1CCCN(c2ncc(-c3cn(CC4CC4c4ccc(F)c(CC(=O)NC[C@H]5C[C@H](S(C)(=O)=O)C5)c4)nn3)cn2)CC1,OGOZVDJGPMLQLF-QVHLBQLXSA-N
-rxn:3:56471:16782:69859,Cc1c(-c2cn(CC3CC3c3c(F)cc(C(=O)N[C@H]4CC[Se]C4)cc3F)nn2)cnn1CCN(C)C,QFFDGLBTRKOFBQ-XBMUEBEBSA-N
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-rxn:3:58229:28143:68500,CN(C)[C@H]1CC[C@@H](c2cn(CCCc3cc(C(=O)Nc4ccc5oc6c(c5c4)CCCC6)c(F)cn3)nn2)CC1,GQYRKQHFWLSWTC-UHGJSFDGSA-N
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-rxn:3:58338:28143:69182,COc1cscc1CNC(=O)c1cc(F)c(CCCn2cc([C@H]3CC[C@@H](N(C)C)CC3)nn2)c(F)c1,GMHBZGVPBRCFTJ-MSEWRSJXSA-N
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-rxn:3:59852:3882:66276,Cn1ccc2cc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NC[C@]67C[C@H]6CS(=O)(=O)C7)C5)C4)nn3)cnc21,LOPYNBNWRJPDFA-DOOYTVFBSA-N
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-rxn:3:59852:7001:65938,N#Cc1cccnc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCC4COCCS(=O)(=O)C4)C3)C2)nn1,PZBREGHUOXIALC-WHRZTLTBSA-N
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-rxn:3:59852:826:66748,CC1CC2(CS1(=O)=O)SCCC2CNC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ncccc4F)nn3)C2)CCO1,ZMVYFVHXXAHRPL-MXYAYVLESA-N
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-rxn:3:60580:8620:66130,C=CC[C@@H](C(=O)NC(C)c1csc(C)c1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,YEWLHCILWICKQW-DAFXYXGESA-N
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-rxn:2:109324:122694,CC1(C)CCC2(CC(NC3COc4ccc(C(C)(C)C)cc4OC3)C2)C1,SLBCZTWRORSKED-UHFFFAOYSA-N
-rxn:2:109523:115428,COC1C(C)C(NC2CCCC2c2ccc(C(C)(C)C)cc2)C12CCC2,PYQPVHNPZAOJFU-UHFFFAOYSA-N
-rxn:2:109976:155045,F[C@H]1CCCC2(CCC(NCCC#Cc3ccc4[nH]c5c(c4c3)CCCC5)C2)C1,WYCKXYDLAIQSLB-XHHNVCIESA-N
-rxn:2:111725:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCC2CCC3CC2CN3C2CCCCC2)cn1,ADGVWQRURHSEOM-UHFFFAOYSA-N
-rxn:2:112100:166041,COc1ccc(C)cc1CC1(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)CC1,ZPAYPNBUBYHITF-UHFFFAOYSA-N
-rxn:2:112343:166005,Cc1c(CN2CCCSCC2)cccc1NC1CCN(c2cccc(S(C)(=O)=O)c2)CC1,BQSYWCYDDOODIU-UHFFFAOYSA-N
-rxn:2:112542:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCCCC3)nc2C2CCCC2)cn1,XHFYOANKNGBQJR-UHFFFAOYSA-N
-rxn:2:113096:133064,CCc1ccc2c(c1)C(N[C@@H](c1ccc3c(c1)OCCO3)C1CCCCC1)C(OC)CO2,ZGUXYVJSTWAYHB-WTGGTCQISA-N
-rxn:2:113378:153994,CC(NOCC1CCN(C2CCS(=O)(=O)C2)CC1)c1sccc1-c1c[nH]c(=O)c2ncn(C)c12,AJTXYOFVGYYSSE-UHFFFAOYSA-N
-rxn:2:114717:155396,CC(=O)c1ccc(C2C(CSC(C)NC3C(=O)SC34CCC4)C2(F)F)nc1,JEAITLHCBBSOJF-UHFFFAOYSA-N
-rxn:2:114977:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCCCC3)nc2C2CCC2)cn1,DCBZIUZXKMIBPF-UHFFFAOYSA-N
-rxn:2:115218:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCN(c3cc4c(nn3)CCC(C)C4)CC2)cn1,AZHHHLYJPKYJJO-UHFFFAOYSA-N
-rxn:2:115387:167576,CC1CCCC(C)C1N1CCC(NC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)CC1,FLOMSNZUAOFXLZ-UHFFFAOYSA-N
-rxn:2:116166:164312,CC(NC(C1CCCC1)C1C2CC3CC(C2)CC1C3)c1ccccc1-c1nc2nc[nH]c2c(=O)[nH]1,OLLFVFGMDOXNKX-UHFFFAOYSA-N
-rxn:2:117066:117719,CC(Nn1c(CC2C3CC4CC(C3)CC2C4)n[nH]c1=O)c1ccc(OS(=O)(=O)[O-])cc1,AMUGYPIALSCJLH-UHFFFAOYSA-M
-rxn:2:117178:167576,CCN(C1CC1)C1CCCCCCC1NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,WSJNNWIDAHIOLX-UHFFFAOYSA-N
-rxn:2:117900:131860,CC1CCC2CC(NC(c3ccc4c(c3)CCO4)C(C)(C)C)CCC2C1,ZMKSESJRUORDOD-UHFFFAOYSA-N
-rxn:2:118405:167576,CC1CN(C2CCCCCC2NC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)CCO1,KFEQDXOJZCRBCT-UHFFFAOYSA-N
-rxn:2:119530:119754,CCC1C(F)(F)C12CCC(NCc1ccc(C)nc1N1CCC(N(C)C)CC1)CC2,RQEZKLWVKZBXAK-UHFFFAOYSA-N
-rxn:2:119754:136211,CCC1C(F)(F)C12CCC(NC1CCCc3c1c(C1CC1)nn3CCN(C)C)CC2,AFIDTNCIXCCSSE-UHFFFAOYSA-N
-rxn:2:119882:167576,CN1CCC(CN2CCCC(CNC(c3ccc(S(C)(=O)=O)cc3)c3cccs3)C2)C1,GUUDZSKSGWXTFJ-UHFFFAOYSA-N
-rxn:2:120556:123092,COCCc1cc(N2CCC(NCc3cccn(CCN4CCCC4)c3=O)CC2)ncn1,NQWKRADASHUDGM-UHFFFAOYSA-N
-rxn:2:120574:172800,Cc1cc(-c2cccc3c2OCO3)c(C)c2c1CCCC2NC12CCCC1CS(=O)(=O)C2,VHYFIJPNINCYGU-UHFFFAOYSA-N
-rxn:2:120592:151726,COCCN1CCN(c2ncccc2NC(C)CC2c3c(cc4c(c3OC)OCO4)CCN2C)CC1,ALTSHVVFYSNMLP-UHFFFAOYSA-N
-rxn:2:120592:164467,CCC(Nc1cccnc1N1CCN(CCOC)CC1)c1ccc2oc(=O)c(=O)n(OC(C)C)c2c1,UZTLXIHXFRQYFZ-UHFFFAOYSA-N
-rxn:2:120791:166041,COc1cccc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)c1COC1CC1,SEYXTDXBDKMVTG-UHFFFAOYSA-N
-rxn:2:121929:167576,CCC(C)C(CN1CCCCCCC1)NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,PEANLMMONYDKQZ-UHFFFAOYSA-N
-rxn:2:124635:167576,CC(C)CC(CN1CCCCCCC1)NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,VDFLDNCOAUKCAE-UHFFFAOYSA-N
-rxn:2:124641:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cnn(C3CCCC3)c2C2CCCCC2)cn1,BQRUISITAFZHSZ-UHFFFAOYSA-N
-rxn:2:124973:157021,CCC(NC(C)c1c(-c2ccc(OC)c(OC)c2)cn[nH]c1=O)C(C)N1CC(C)OC(C)(C)C1,ZCALQBAQCAIKLB-UHFFFAOYSA-N
-rxn:2:126076:163743,CN(C)C(c1cccnc1)C1CCC(NC(c2cccc(S(C)(=O)=O)c2)C2CCC2)CC1,JRUXMQHJRPQOEF-UHFFFAOYSA-N
-rxn:2:126098:155159,CN1CCCC(CNC(CC2=NCCO2)c2ccc(S(C)(=O)=O)cc2)C1c1cccs1,MHPDGRYGCLYNHU-UHFFFAOYSA-N
-rxn:2:126568:126600,Cc1ccc(C(C)NCc2[nH]cnc2C2C3CC4CC(C3)CC2C4)c(OS(=O)(=O)F)c1,NHQRHMQPFNCARM-UHFFFAOYSA-N
-rxn:2:126812:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc(OCC3CN(C)CCN3C)cn1)CC2,ONNISMPBEZBQSR-UHFFFAOYSA-N
-rxn:2:127210:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cnn(CC3CCCC3)c2CC2CCC2)cn1,OZAOONJXWSUAQD-UHFFFAOYSA-N
-rxn:2:127554:122694,CCC(NC1COc2ccc(C(C)(C)C)cc2OC1)C1CC2(CCC2)C1,DABYUAHBCDKSID-UHFFFAOYSA-N
-rxn:2:127839:167576,CN1CCC(C(CNC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)C2CCCN(C)C2)CC1,LBWMXDZTUCBJTG-UHFFFAOYSA-N
-rxn:2:128316:119754,CCC1C(F)(F)C12CCC(Nc1cccc(N3CCN(CCN(C)C)CC3)c1)CC2,VGKMUCRYZQSIOS-UHFFFAOYSA-N
-rxn:2:129056:166041,COc1cc(C)ccc1C1CC1CNC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,PVMZKYXGSHKODG-UHFFFAOYSA-N
-rxn:2:129322:151416,COc1cc(NC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)ccc1C1CCN(C)CC1,JFRJQFFMXCJONK-UHFFFAOYSA-N
-rxn:2:130420:119754,CCC1C(F)(F)C12CCC(NCC1CN(CCN(C)C)C(C)(C)C1)CC2,BSSWMAXJHAJKPQ-UHFFFAOYSA-N
-rxn:2:131180:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCCC(c3ncc(C4CCCC4)[nH]3)C2)cn1,MCLAQSZSSDGCFB-UHFFFAOYSA-N
-rxn:2:131642:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cc(CC3CCC3)nn2C2CCCC2)cn1,MJXCUJCUOSJHQW-UHFFFAOYSA-N
-rxn:2:131915:162039,CCOC1CCCN(c2ccc(CNC3c4ccccc4[C@H]4CN(C)CCN4c4ncccc43)cc2C)C1,RNZRUIOEMAWOAJ-AWWDORHXSA-N
-rxn:2:133421:167576,CC1COCCN1C1CCCCCCC1NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,VLJJYOOFTRSGGJ-UHFFFAOYSA-N
-rxn:2:134465:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CC3CC(C2)CN(C2CCCC2)C3)cn1,RSEIHNYJTPQJKX-UHFFFAOYSA-N
-rxn:2:134936:151416,COc1ccc(NC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1CN1CCOCC1,UYWIILBKNRHVRZ-UHFFFAOYSA-N
-rxn:2:135115:167576,CC(C)C1CCN(C2CCCCC2CNC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)C1,KXSUPACETYHCKA-UHFFFAOYSA-N
-rxn:2:135384:167576,CC(C)C1CCC(NC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)C(N2CCCCCC2)C1,NNSDGPRCCRLULB-UHFFFAOYSA-N
-rxn:2:135536:166041,COc1cc(CNC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC1COC1,QDDACMLGIVIHJP-UHFFFAOYSA-N
-rxn:2:135549:138171,CC1(O[Si](C)(C)C(C)(C)C)CC(Nc2c(OC3CCC3)nc[nH]c2=O)C1,YSCCKQNRHORFBY-UHFFFAOYSA-N
-rxn:2:135816:151416,COc1cc(NC2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)ccc1O[C@@H]1CCOC1,UFCAJPOUYRYPJA-ZOGYUUGASA-N
-rxn:2:136211:119754,CCC1C(F)(F)C12CCC(NC1CCCc3c1c(C1CC1)nn3CCN(C)C)CC2,AFIDTNCIXCCSSE-UHFFFAOYSA-N
-rxn:2:136368:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCN(c3cc(C4CCCC4)ncn3)CC2)cn1,RGRAZJCKDXHOAT-UHFFFAOYSA-N
-rxn:2:136932:162349,CC(NC1CC2CCC(C1)N2C1CCCCC1)c1ncc(-c2cccc(S(C)(=O)=O)c2)s1,BQFMAAOHEXWRBV-UHFFFAOYSA-N
-rxn:2:137688:133940,COc1ccc(OC)c(C(CN2CCCCC2)NCC2CC2c2ccccc2S(C)(=O)=O)c1,OUECOABGGSWLNO-UHFFFAOYSA-N
-rxn:2:137892:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCCC3)nc2C2CCCCC2)cn1,GTRCQTFIWWVUSS-UHFFFAOYSA-N
-rxn:2:138351:145221,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ncc(-c2cnn(CC3CC3)c2)cn1,NZAPJRIJQQVBKC-UHFFFAOYSA-N
-rxn:2:138351:154595,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1ccc(-c2cnc(N3CCCC3)nc2)cn1,ZIXQJJGMPJAYJB-UHFFFAOYSA-N
-rxn:2:138351:161032,CC(NCC1CCN(C2CCS(=O)(=O)C2)CC1)c1sccc1-c1ccnc(N2CCCC2)n1,ZOWTUIRMZJGADW-UHFFFAOYSA-N
-rxn:2:138351:167285,CC(C)CCn1nccc1-c1cccc(C(C)NCC2CCN(C3CCS(=O)(=O)C3)CC2)n1,HDZCPYFZYSGNBK-UHFFFAOYSA-N
-rxn:2:138546:167512,CC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,MYYPCWMYIPBEBT-UHFFFAOYSA-N
-rxn:2:138625:167512,CC(Nc1ccc(N2CCCN(C)CC2)nn1)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,VDIVEUPJGWSSNI-UHFFFAOYSA-N
-rxn:2:139117:161229,CO[C@@H]1CCc2ccccc2[C@H]1NC1c2c(C)ccc(C)c2OCCC1CN1CCCC1,POPISOGNPPVFAE-DKARGKLUSA-N
-rxn:2:139208:167576,CN1CCC(N2CCCC(CNC(c3ccc(S(C)(=O)=O)cc3)c3cccs3)C2)CC1,GRIOPPRLCBLQDC-UHFFFAOYSA-N
-rxn:2:139842:166041,COc1ccc(N2CCN(C)CC2)cc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,NXSGOBKFGMWISW-UHFFFAOYSA-N
-rxn:2:140087:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cn(CC(C)OC)c(=O)[nH]c1=O,GPIMUUSBDXORHY-UHFFFAOYSA-N
-rxn:2:140318:157998,COc1ccc(C(NC2CCCCC2OS(C)(=O)=O)c2ccccc2CN2CCC2)cc1,IBFQGKMRSZQSJL-UHFFFAOYSA-N
-rxn:2:140318:162396,COc1ccc(OC)c(-c2cccc(OC)c2C(C)NC2CCCCC2OS(C)(=O)=O)c1,RNWRZSMSHRLOKG-UHFFFAOYSA-N
-rxn:2:140330:120702,CC(C)C1C(F)(F)C12CCC(NCCN(C)[C@H]1CCN(C)C1)CC2,DXDZYDVEZKLHAH-SGJHSXLPSA-N
-rxn:2:140389:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCCC3)nc2C2CCCC2)cn1,ZHSGILIQGPMYBO-UHFFFAOYSA-N
-rxn:2:141555:167576,CN1CCCC(CC2CCC(NC(c3ccc(S(C)(=O)=O)cc3)c3cccs3)CC2)C1,GBYSWEASKMOBHV-UHFFFAOYSA-N
-rxn:2:145673:161008,CC(C)c1nc(-c2cccnc2)cc(N2CCC(NCc3cc(=O)[nH]n3C3CCCS(=O)(=O)C3)CC2)n1,MBOPDBGUJKHGDW-UHFFFAOYSA-N
-rxn:2:147764:120702,CC(C)C1C(F)(F)C12CCC(NCC(c1ccc3[nH]c(C4CC4)nc3c1)N(C)C)CC2,BUWAPRCWQDLGMO-UHFFFAOYSA-N
-rxn:2:148103:163096,COc1ccc(-c2cnn(S(C)(=O)=O)c2)c(C(C)Nc2nc(C34CC5CC(CC(C5)C3)C4)cc(=O)[nH]2)c1,NDVJWVFYQVVEGH-UHFFFAOYSA-N
-rxn:2:66427:98744,CCCC1(CN(C)C)CCC(Nc2c(C3CCC3)cnn2CC2CC2(F)F)CC1,HUMOCLUWFXDJGP-UHFFFAOYSA-N
-rxn:2:66687:135009,CC1CCc2cc3c(cc2C(NCC(C)(C)OCC2CC2)C1)OCCCO3,FYERQZNPPAXIAR-UHFFFAOYSA-N
-rxn:2:66687:68193,CC1CCc2cc3c(cc2C(NC2CCN(CC(C)(C)F)CC2)C1)OCCCO3,UGEQGDZIMLIGMC-UHFFFAOYSA-N
-rxn:2:67875:167576,CCC(NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1)C(C)N1CCCC2CCCCC21,UPYHSKXWGPHEKO-UHFFFAOYSA-N
-rxn:2:68220:120644,CCC(NCC1CC(C[Si](C)(C)C)C1)C1CCCCCC1,ZXOLIWJVRYHGJO-UHFFFAOYSA-N
-rxn:2:68399:119754,CCC1C(F)(F)C12CCC(NCC(c1c(C)nn(C)c1C)N(C)C)CC2,KEWKIIOVNSAEDK-UHFFFAOYSA-N
-rxn:2:68822:167576,CC(CN1CCN(C2CCCCC2)CC1)NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,YIGBLWLKGWUMLB-UHFFFAOYSA-N
-rxn:2:69020:162039,CO[C@@H]1[C@@H](NC2c3ccccc3[C@H]3CN(C)CCN3c3ncccc32)COC12CCOCC2,BLFCHFKBLHTXRM-RUZNKNLNSA-N
-rxn:2:69596:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cn(CC)c(=O)n(COC)c1=O,UITBYQWIUTZVTF-UHFFFAOYSA-N
-rxn:2:69691:126033,CC1CCC(N2CCC(NCCCC[Si](C)(C)C)CC2)CC1,BIFHJCZDTLXUAM-UHFFFAOYSA-N
-rxn:2:70518:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCC3)nc2C2CCCCC2)cn1,KHHUJEUSOLTHAT-UHFFFAOYSA-N
-rxn:2:71027:167576,CN1CCCN(C2CCCCCC2)CC1CNC(c1ccc(S(C)(=O)=O)cc1)c1cccs1,PPRGKCUXYMDFCP-UHFFFAOYSA-N
-rxn:2:71576:120702,CC(C)C1C(F)(F)C12CCC(NCC(C)(C)N(C)C1CCC1)CC2,VYGWCVQFVRYTJI-UHFFFAOYSA-N
-rxn:2:72120:119754,CCC1C(F)(F)C12CCC(Nc1[nH]nc3c1CN(CCCN(C)C)CC3)CC2,MAPGJQDIPYOZKX-UHFFFAOYSA-N
-rxn:2:72475:107709,CC[C@H]1CC[C@H](C2CCC(NC3CCCc4c3cccc4C(C)(C)C)CC2)CC1,ZFSOTSBXBFBEHX-WURXVNGZSA-N
-rxn:2:72475:122694,CC[C@H]1CC[C@H](C2CCC(NC3COc4ccc(C(C)(C)C)cc4OC3)CC2)CC1,MPYZDIYEZLNAMD-UMYPAMSDSA-N
-rxn:2:72475:137817,CC[C@H]1CC[C@H](C2CCC(NC3Cc4ccccc4C3(C)C)CC2)CC1,GUVKCMLXTJSVFS-UYTZLIDHSA-N
-rxn:2:72765:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cn(COC(C)C)c(=O)[nH]c1=O,CXAPXNXFXITEAY-UHFFFAOYSA-N
-rxn:2:73080:122553,COc1ccc(NC2CCC(Cc3nc(C4CCCC4)cs3)CC2)cc1OS(=O)(=O)F,TZIIZBDARIUEGQ-UHFFFAOYSA-N
-rxn:2:73080:130400,COc1ccc(NC2CCC(OCCN3CCCC3)CC2)cc1OS(=O)(=O)F,YIAJEUZLPOUTGO-UHFFFAOYSA-N
-rxn:2:73080:161229,COc1ccc(NC2c3c(C)ccc(C)c3OCCC2CN2CCCC2)cc1OS(=O)(=O)F,BUPFWHGDKNGLTF-UHFFFAOYSA-N
-rxn:2:73080:82094,COc1ccc(NC(c2cccc(CN3CCN(C)CC3)c2)C2CC2)cc1OS(=O)(=O)F,NJKIITIHPRDZGB-UHFFFAOYSA-N
-rxn:2:73080:83474,COc1ccc(NC(CN2CCCC2C2CCCC2)c2ccc[nH]2)cc1OS(=O)(=O)F,BECWWSZRZMEWKS-UHFFFAOYSA-N
-rxn:2:73149:127889,CCC1CCC(CCC2CCC(NC[Si](C)(C)C)CC2)CC1,XLQRIMBYRUZROD-UHFFFAOYSA-N
-rxn:2:73149:139586,CC1CC(NC[Si](C)(C)C)CCN1CCC1CCCCC1,XXAAKYFCTGVVDB-UHFFFAOYSA-N
-rxn:2:73149:77445,CCCCC1CCC(C2CCC(NC[Si](C)(C)C)CC2)CC1,TUMHGUUNNYVYFC-UHFFFAOYSA-N
-rxn:2:74601:147839,COC1CCCCCCC1NC(c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2,JNJKRYRKWMTMIN-UHFFFAOYSA-N
-rxn:2:74708:100701,COCc1cc(NC2CCN(CCc3ccc4c(c3)CCCO4)CC2)cc2c1OCOC2,FYFFZNWXHFSKSF-UHFFFAOYSA-N
-rxn:2:75747:167576,CC1CCCN(CC2CCCCC2NC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)C1,IOWIYGJJMBWXMJ-UHFFFAOYSA-N
-rxn:2:75929:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(CC3CC3)nc2C2CCCCC2)cn1,LIZFNPAVDCTMFO-UHFFFAOYSA-N
-rxn:2:76532:162039,COC1CCOC2(CCN(CCCNC3c4ccccc4[C@H]4CN(C)CCN4c4ncccc43)CC2)C1,MGFGMZLMXMMHHW-OXOHJMPHSA-N
-rxn:2:76532:162447,COC1CCOC2(CCN(CCCNC3CCCc4c3[nH]c3ccc(-c5ccncc5)cc43)CC2)C1,RTJXJYDQAGGMPZ-UHFFFAOYSA-N
-rxn:2:76714:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CC3CC(C2)CN(C2CCCCC2)C3)cn1,ZOYPOLZXHYZMHQ-UHFFFAOYSA-N
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-rxn:3:17897:59958:138726,CC(C)c1cccc(-n2nccc2-c2cn([C@@H]3CCC[C@@H](C(=O)Nc4cccc(S(=O)(=O)OC5CCCC5)c4)C3)nn2)n1,KEZQFWFGYDPZQQ-ISKFKSNPSA-N
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-rxn:3:1911:42684:83031,C=CCN(C)Cc1cn(CC#Cc2cccc(C(=O)NC3C(F)(F)C34CCC4)n2)nn1,GPWGRBUJFQBJEP-UHFFFAOYSA-N
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-rxn:3:28708:59852:116323,O=C(Nc1ccc(S(=O)(=O)[O-])cc1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccnc4-n4ccnc4)nn3)C2)CCO1,VAJMSHWHPPNKRP-DUAOYYFSSA-M
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-rxn:3:28708:59852:168103,O=C(Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccnc4-n4ccnc4)nn3)C2)CCO1,OOFAOSPWLMTOEE-LKXBVVHWSA-M
-rxn:3:28708:60580:113048,C=CC[C@@H](C(=O)NCC1CCOC12CCS(=O)(=O)CC2)n1cc(-c2cccnc2-n2ccnc2)nn1,XFTYIJFQANPXJM-ZYZRXSCRSA-N
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-rxn:3:31769:43074:92433,C[Si](C)(C)CCONC(=O)Cc1ccc(C#CCn2cc(C3=CCC(F)(F)CC3)nn2)cn1,QHPOUQBDISBDHQ-UHFFFAOYSA-N
-rxn:3:31790:60580:113048,C=CC[C@@H](C(=O)NCC1CCOC12CCS(=O)(=O)CC2)n1cc(-c2cccn3cnnc23)nn1,DFEYUTIRSYHONO-CVMIBEPCSA-N
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-rxn:3:39288:42419:96700,CCN(C)Cc1cn(CC#Cc2csc(CC(=O)NC3CC4(C3)CC(F)(F)C4)c2)nn1,RTSVRWAZPOQROK-UHFFFAOYSA-N
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-rxn:3:40003:18745:66280,CCc1nn(CC2CC2(F)F)cc1-c1cn(CC=Cc2ccc(C(=O)NC3CC(OC)C34CCC4)s2)nn1,QOWLOFINEGCLHO-UHFFFAOYSA-N
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-rxn:3:40555:16782:67806,Cc1c(-c2cn(CC=Cc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)nc3)nn2)cnn1CCN(C)C,KIMKXUNKIUBDLO-HXUWFJFHSA-N
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-rxn:3:41107:5:83031,CCN(CC)c1ccc(-c2cn(CC=Cc3ccc(C(=O)NC4C(F)(F)C45CCC5)c(OC)c3)nn2)nn1,SBJGDOHLIVUNDI-UHFFFAOYSA-N
-rxn:3:41107:9:86559,COc1cc(C=CCn2cc(-c3ccc(N4CCCCC4)nn3)nn2)ccc1C(=O)NC1C(F)(F)C12CC2,MTKJRDNAMHBXPS-UHFFFAOYSA-N
-rxn:3:41110:5:83031,CCN(CC)c1ccc(-c2cn(CC=Cc3ccc(OC)cc3C(=O)NC3C(F)(F)C34CCC4)nn2)nn1,MYAPYLNQSGMCKF-UHFFFAOYSA-N
-rxn:3:42130:16782:67806,Cc1c(-c2cn(CC#Cc3sccc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,BDKONBSMQJANLY-GOSISDBHSA-N
-rxn:3:42132:16782:67806,Cc1c(-c2cn(CC#Cc3cscc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,YHMRLBZJIQOGHR-LJQANCHMSA-N
-rxn:3:42567:8620:66277,CCC(C)C(C)NC(=O)c1ncc(C#CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)cn1,BFMNWSVNBGLHCL-UHFFFAOYSA-N
-rxn:3:42679:16782:67806,Cc1c(-c2cn(CC#Cc3cncc(C(=O)N[C@@H]4CCCC(F)(F)C4)c3)nn2)cnn1CCN(C)C,SAZGCXZTNSYLCD-OAQYLSRUSA-N
-rxn:3:42681:16782:67806,Cc1c(-c2cn(CC#Cc3cccnc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,IAWPQVQBMMQDCM-HXUWFJFHSA-N
-rxn:3:42686:16782:67806,Cc1c(-c2cn(CC#Cc3ncccc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,YSQPAGQMXJDXTG-LJQANCHMSA-N
-rxn:3:42689:16782:67806,Cc1c(-c2cn(CC#Cc3cnccc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,GMTDZEBGFOJVOU-HXUWFJFHSA-N
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-rxn:3:44286:16782:67806,Cc1c(-c2cn(CCC#Cc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)cc3)nn2)cnn1CCN(C)C,LYHHUSHFHHBMNH-HSZRJFAPSA-N
-rxn:3:44515:16782:67806,Cc1c(-c2cn(CCC#Cc3cc(C(=O)N[C@@H]4CCCC(F)(F)C4)ccn3)nn2)cnn1CCN(C)C,RQZQFYYOWOBJOH-JOCHJYFZSA-N
-rxn:3:44517:16782:67806,Cc1c(-c2cn(CCC#Cc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)cn3)nn2)cnn1CCN(C)C,TZOAKMVXJMQACK-JOCHJYFZSA-N
-rxn:3:44518:16782:67806,Cc1c(-c2cn(CCC#Cc3ncccc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,YICABAGIIVWMSX-HXUWFJFHSA-N
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-rxn:3:45557:16782:67806,Cc1c(-c2cn(CCC=Cc3ccsc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,RCRXFFGIKQALFQ-HXUWFJFHSA-N
-rxn:3:45558:16782:67806,Cc1c(-c2cn(CCC=Cc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)s3)nn2)cnn1CCN(C)C,YCSFXSKJVLIQLH-LJQANCHMSA-N
-rxn:3:45560:16782:66152,Cc1c(-c2cn(CCC=Cc3sccc3C(=O)NC3CCC(F)(F)C3)nn2)cnn1CCN(C)C,YGZLLJSSQOYMHK-UHFFFAOYSA-N
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-rxn:3:45562:16782:67806,Cc1c(-c2cn(CCC=Cc3cscc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,VATXVDOMBXPFGQ-HXUWFJFHSA-N
-rxn:3:46054:16782:67806,Cc1c(-c2cn(CCC=Cc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)nc3)nn2)cnn1CCN(C)C,XFGWANLFXQUPRN-OAQYLSRUSA-N
-rxn:3:46055:16782:67806,Cc1c(-c2cn(CCC=Cc3cccnc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,CGRUPSPYJGPZSX-OAQYLSRUSA-N
-rxn:3:46056:8620:69083,CC(NC(=O)c1ccnc(C=CCCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1)C1COC1,KZFAJICQGRLNEJ-UHFFFAOYSA-N
-rxn:3:46058:16782:66152,Cc1c(-c2cn(CCC=Cc3ccc(C(=O)NC4CCC(F)(F)C4)cn3)nn2)cnn1CCN(C)C,BYBWQTLOPKNQOR-UHFFFAOYSA-N
-rxn:3:46059:16782:67806,Cc1c(-c2cn(CCC=Cc3ncccc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,MYNLBVMDAHTFTB-HXUWFJFHSA-N
-rxn:3:46061:16782:67806,Cc1c(-c2cn(CCC=Cc3cnccc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,WNSFXGBMPIBIGT-OAQYLSRUSA-N
-rxn:3:46342:16782:67806,Cc1c(-c2cn(CCC=Cc3cc(C(=O)N[C@@H]4CCCC(F)(F)C4)c(F)cn3)nn2)cnn1CCN(C)C,HWGOUSYMZWZZOL-HXUWFJFHSA-N
-rxn:3:46343:16782:67806,Cc1c(-c2cn(CCC=Cc3nccc(C(=O)N[C@@H]4CCCC(F)(F)C4)c3F)nn2)cnn1CCN(C)C,QPALRLYNNYTIJS-LJQANCHMSA-N
-rxn:3:46431:6402:67082,CO[C@H]1CCC[C@@H]1NC(=O)c1c(F)ccc(C=CCCn2cc(-c3cnc(N4CCCCCC4)nc3)nn2)c1F,NZSOIDXOASCGRZ-ZCYQVOJMSA-N
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-rxn:3:50150:6404:67869,CN1CCCN(c2ncc(-c3cn(CC4C(c5csc(CC(=O)NC6COC7(COC7)C6)c5)C4(F)F)nn3)cn2)CC1,KDKSVGBDMFUIAR-UHFFFAOYSA-N
-rxn:3:50437:16782:66066,Cc1c(-c2cn(CC3C(c4ncccc4C(=O)N[C@@H]4CC45CCCC5)C3(F)F)nn2)cnn1CCN(C)C,YKYOPCPLZZEDJH-GTMAMOSYSA-N
-rxn:3:50440:16782:66066,Cc1c(-c2cn(CC3C(c4cnccc4C(=O)N[C@@H]4CC45CCCC5)C3(F)F)nn2)cnn1CCN(C)C,KUBSWSAHESTHDE-SHSGKGFPSA-N
-rxn:3:50788:5864:66066,C[C@@H](C(=O)N[C@@H]1CC12CCCC2)n1cc(C2C(Cn3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)C2(F)F)cn1,ARQJBRFKBBZJLT-GKUYWWARSA-N
-rxn:3:50788:5864:67866,C[C@@H](C(=O)N[C@@H]1CC12CCCCC2)n1cc(C2C(Cn3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)C2(F)F)cn1,NQNQCSJVGNURCJ-HOIGITKYSA-N
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-rxn:3:52483:16782:67806,Cc1c(-c2cn(CCC3CC3c3cncc(C(=O)N[C@@H]4CCCC(F)(F)C4)c3)nn2)cnn1CCN(C)C,VPXZXJPUMJGJCS-RUDSSYLZSA-N
-rxn:3:52488:16782:67806,Cc1c(-c2cn(CCC3CC3c3cccc(C(=O)N[C@@H]4CCCC(F)(F)C4)n3)nn2)cnn1CCN(C)C,UOTRRIYBTYGTMR-NYLDSWQDSA-N
-rxn:3:52489:16782:67806,Cc1c(-c2cn(CCC3CC3c3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)cn3)nn2)cnn1CCN(C)C,PTBQRVFMPONLNF-NJEKYYFSSA-N
-rxn:3:52490:16782:67806,Cc1c(-c2cn(CCC3CC3c3ncccc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,WBBLBSVIJCVHCX-SNCIUUNGSA-N
-rxn:3:53633:18701:69969,CCn1cc(-c2cn(CCC3C(c4sccc4C(=O)N[C@H]4CC45CC5)C3(F)F)nn2)c(C2CC2)n1,HIJBWLPLZXGBDS-SYYJFZTOSA-N
-rxn:3:53780:16782:67806,Cc1c(-c2cn(CCOc3cccnc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,LSUCWOLCXJFRNB-GOSISDBHSA-N
-rxn:3:54100:8634:67709,CN(C)C1(c2cn(CCC3C(c4cnc(C(=O)NC5CSc6ccccc65)nc4)C3(F)F)nn2)CCC1,HXNDFZHVWFBIAE-UHFFFAOYSA-N
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-rxn:3:55246:16782:67806,Cc1c(-c2cn(CC3CC3c3sccc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,UFTUMOJSSHNXIZ-QPIRBTGLSA-N
-rxn:3:55877:16782:67806,Cc1c(-c2cn(CC3CC3c3cncc(C(=O)N[C@@H]4CCCC(F)(F)C4)c3)nn2)cnn1CCN(C)C,RWDKRRWLRHSQNV-ATKRNPRHSA-N
-rxn:3:55879:17887:69013,CCCc1ccnc(-n2nccc2-c2cn(CC3CC3c3cccnc3C(=O)NC3(C4CCS(=O)(=O)C4)CCCCC3)nn2)c1,ABTDKEBQHZKGMH-UHFFFAOYSA-N
-rxn:3:55883:16782:67806,Cc1c(-c2cn(CC3CC3c3cccc(C(=O)N[C@@H]4CCCC(F)(F)C4)n3)nn2)cnn1CCN(C)C,ZFRGEYRZXLYKOV-IOJLRTSASA-N
-rxn:3:56119:18811:99021,CCC(C)n1nccc1-c1cn(CC2CC2c2ccc(C(=O)NC[C@@H]3CC(OC)CO3)c(F)c2)nn1,XHHGWWRICMNWME-UYVKJSQDSA-N
-rxn:3:56158:6402:70016,Cc1cc(C2CC2Cn2cc(-c3cnc(N4CCCCCC4)nc3)nn2)ccc1C(=O)NCCOC1CCS(=O)(=O)CC1,YNNSTFRFGDAWFT-UHFFFAOYSA-N
-rxn:3:56520:8620:128176,CSc1ncc(C2CC2Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c(C(=O)Nc2ccc3oc(=O)oc3c2)n1,REJMRDJVXXDQDW-UHFFFAOYSA-N
-rxn:3:56520:8620:65952,CSc1ncc(C2CC2Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c(C(=O)NOC2CCOC2)n1,OMXGKWUEWGQQHS-UHFFFAOYSA-N
-rxn:3:57294:16782:67806,Cc1c(-c2cn(CCCc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)s3)nn2)cnn1CCN(C)C,SKWPYEQZSSKGMD-GOSISDBHSA-N
-rxn:3:57295:6404:65938,CN1CCCN(c2ncc(-c3cn(CCCc4sccc4C(=O)NCC4COCCS(=O)(=O)C4)nn3)cn2)CC1,ABVJDEQRJHREND-UHFFFAOYSA-N
-rxn:3:57355:16782:67806,Cc1c(-c2cn(CCCc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)o3)nn2)cnn1CCN(C)C,UIOXDNMHZQKQHU-GOSISDBHSA-N
-rxn:3:57885:8620:69083,CC(NC(=O)c1ccnc(CCCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1)C1COC1,UJQPDRKJLMSZNO-UHFFFAOYSA-N
-rxn:3:57886:16782:67806,Cc1c(-c2cn(CCCc3cccc(C(=O)N[C@@H]4CCCC(F)(F)C4)n3)nn2)cnn1CCN(C)C,FVCJNRUBDRCJNZ-HXUWFJFHSA-N
-rxn:3:57887:16782:67806,Cc1c(-c2cn(CCCc3ccc(C(=O)N[C@@H]4CCCC(F)(F)C4)cn3)nn2)cnn1CCN(C)C,MSSCDDSAHVMIEY-OAQYLSRUSA-N
-rxn:3:57890:16782:67806,Cc1c(-c2cn(CCCc3cnccc3C(=O)N[C@@H]3CCCC(F)(F)C3)nn2)cnn1CCN(C)C,NKEDUSXZRVXUTK-HXUWFJFHSA-N
-rxn:3:5864:56520:82060,CSc1ncc(C2CC2Cn2cc(-c3ccc4nccc(N(C)C)c4c3)nn2)c(C(=O)NOC2CCCC(F)(F)CC2)n1,HCRMHRWYKJQHGR-UHFFFAOYSA-N
-rxn:3:5864:59446:68267,COCCC1(NC(=O)[C@H]2C[C@@H](n3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)C2)CCC(F)(F)CC1,KFNUJCLYBCKSNL-BGYRXZFFSA-N
-rxn:3:5864:59446:69509,CCOC1(CNC(=O)[C@H]2C[C@@H](n3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)C2)CCC(F)(F)CC1,NPBIFLKZKGXBQL-BGYRXZFFSA-N
-rxn:3:5864:59842:89752,CCCC1(NC(=O)[C@H]2CC=C[C@H](n3cc(-c4ccc5nccc(N(C)C)c5c4)nn3)C2)CCC(F)(F)CC1,ZRVCIKUTIIJWCI-VXKWHMMOSA-N
-rxn:3:5864:59957:80137,C[C@@H](CC(=O)NOCC1CC2(C1)CC(F)(F)C2)n1cc(-c2ccc3nccc(N(C)C)c3c2)nn1,IUSCQXPFPTVNQP-INIZCTEOSA-N
-rxn:3:5864:59990:89752,CCCC1(NC(=O)C[C@@H](C)n2cc(-c3ccc4nccc(N(C)C)c4c3)nn2)CCC(F)(F)CC1,NNZLSWZFBMIYII-GOSISDBHSA-N
-rxn:3:5864:60580:100705,C=CC[C@@H](C(=O)NC1(C)CC2(CC(F)(F)C2)C1)n1cc(-c2ccc3nccc(N(C)C)c3c2)nn1,YVXKVQYKOIWFDV-QFIPXVFZSA-N
-rxn:3:5864:60580:126488,C=CC[C@@H](C(=O)NC1CC2(C1)C(F)(F)C21CC1)n1cc(-c2ccc3nccc(N(C)C)c3c2)nn1,JNPKSDAMAVBEPS-ADUWNVSDSA-N
-rxn:3:5864:60582:126488,C=CC[C@H](C(=O)NC1CC2(C1)C(F)(F)C21CC1)n1cc(-c2ccc3nccc(N(C)C)c3c2)nn1,JNPKSDAMAVBEPS-ONWYWGCKSA-N
-rxn:3:5864:60582:140985,C=CC[C@H](C(=O)NCC1CC2(CCC(F)(F)CC2)CO1)n1cc(-c2ccc3nccc(N(C)C)c3c2)nn1,LOFHYUWRUPNHJD-GBAXHLBXSA-N
-rxn:3:5864:61928:100705,CC(C)[C@H](C(=O)NC1(C)CC2(CC(F)(F)C2)C1)n1cc(-c2ccc3nccc(N(C)C)c3c2)nn1,XGHFROUDBMTKLD-JOCHJYFZSA-N
-rxn:3:5968:40856:116901,CC1CCC(NC(=O)C2(n3cc(-c4ccccc4-c4cnn(C)c4)nn3)CC2)C(C2CCS(=O)(=O)C2)C1,TZFJAHJWRZPEEB-UHFFFAOYSA-N
-rxn:3:59852:1174:65938,Cc1ccc2nc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6COCCS(=O)(=O)C6)C5)C4)nn3)cn2c1,XVCRSSCURVRYDU-YCIYHOANSA-N
-rxn:3:59852:1942:70016,Cc1cn(-c2ccc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCCOC6CCS(=O)(=O)CC6)C5)C4)nn3)cn2)cn1,APSQRQLXTUINMR-QEHQQCFTSA-N
-rxn:3:59852:2589:66355,Cn1nc2ccccc2c1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NC4CCC5(CC4)CS(=O)(=O)C5)C3)C2)nn1,LRXIVTMDDJUOSX-XFOQRXRMSA-N
-rxn:3:59852:2623:65938,Cn1ccc2c(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6COCCS(=O)(=O)C6)C5)C4)nn3)cccc21,PXUALVNXXJGAON-HAGIAJHRSA-N
-rxn:3:59852:2974:66355,Cn1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)C4)C3)nn2)c2cccnc21,DISFRKOWUJBMSM-XFOQRXRMSA-N
-rxn:3:59852:338:70016,Cc1ccnc(Cc2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCCOC5CCS(=O)(=O)CC5)C4)C3)nn2)c1,MAVMYZVYQGLIJY-KRNSLYCCSA-N
-rxn:3:59852:3914:66355,Cn1c(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)C4)C3)nn2)cc2cccnc21,AWCVGVHKVNMQCP-ZJBJZFMFSA-N
-rxn:3:59852:3914:69013,Cn1c(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5(C6CCS(=O)(=O)C6)CCCCC5)C4)C3)nn2)cc2cccnc21,XXLYOFZELNWCOH-OWIQFTIPSA-N
-rxn:3:59852:3937:68265,Cn1ccc2c(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6(F)CCS(=O)(=O)C6)C5)C4)nn3)ccnc21,XLPJEKVXFBACBJ-MRIZOBCRSA-N
-rxn:3:59852:394:66276,Cc1cc2nccn2cc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NC[C@]45C[C@H]4CS(=O)(=O)C5)C3)C2)nn1,OIWRLHMOJRAWTR-BYPUBYQFSA-N
-rxn:3:59852:442:66355,O=C(NC1CCC2(CC1)CS(=O)(=O)C2)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccnc5ccc(F)cc45)nn3)C2)CCO1,YGMLDZQQQMUUBT-JLGCCPRNSA-N
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-rxn:2:113378:148191,CCOc1cccc(-c2ccc(C(C)NOCC3CCN(C4CCS(=O)(=O)C4)CC3)s2)n1,PPKCFWAWWNJOGU-UHFFFAOYSA-N
-rxn:2:113378:149288,CCOc1cc(-c2ncccc2C(C)NOCC2CCN(C3CCS(=O)(=O)C3)CC2)ccn1,OAYNWMLABNSVID-UHFFFAOYSA-N
-rxn:2:113378:152579,COc1cccc(C(NOCC2CCN(C3CCS(=O)(=O)C3)CC2)c2ccccc2C)n1,GPYGTMIEKXXBSL-UHFFFAOYSA-N
-rxn:2:113378:155008,COc1ccc(C(C)NOCC2CCN(C3CCS(=O)(=O)C3)CC2)cc1-c1csc(C)n1,GNYXBAGTLBCZHA-UHFFFAOYSA-N
-rxn:2:113378:156918,Cc1cc(-c2ccoc2)c2c(c1)C(NOCC1CCN(C3CCS(=O)(=O)C3)CC1)CCO2,QRDRVNZVPTYJOF-UHFFFAOYSA-N
-rxn:2:113378:156923,CCOc1ccc(-c2cccc3c2C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CC3)cn1,WAQMELHKMPSBMY-UHFFFAOYSA-N
-rxn:2:113378:157081,CCOc1cc(-c2cc(C(C)NOCC3CCN(C4CCS(=O)(=O)C4)CC3)ccn2)ccn1,UYIMCGHIOIXAQM-UHFFFAOYSA-N
-rxn:2:113378:157156,CCOc1ccc(-c2cccc(C(C)NOCC3CCN(C4CCS(=O)(=O)C4)CC3)n2)cn1,AGARCHIIZIATFS-UHFFFAOYSA-N
-rxn:2:113378:160127,COc1cccc(C)c1-c1ccc2c(c1)C(NOCC1CCN(C3CCS(=O)(=O)C3)CC1)CO2,NTXUPXFPNAUSCU-UHFFFAOYSA-N
-rxn:2:113378:161174,CCOc1ccc(-c2ccc(C(C)NOCC3CCN(C4CCS(=O)(=O)C4)CC3)nc2)nn1,FIQPLSHBAWLRCW-UHFFFAOYSA-N
-rxn:2:113378:165824,CCOc1cc(-c2ccc(C(C)NOCC3CCN(C4CCS(=O)(=O)C4)CC3)nc2)ccn1,VISIYQMVXFOCSG-UHFFFAOYSA-N
-rxn:2:113378:166259,Cc1cc(-c2ccc3c(c2)C(NOCC2CCN(C4CCS(=O)(=O)C4)CC2)CO3)c(C)s1,LIZPVZNRTRYRGP-UHFFFAOYSA-N
-rxn:2:113378:171661,CCOc1ncccc1-c1ccc(C2CCC(NOCC3CCN(C4CCS(=O)(=O)C4)CC3)CC2)cc1,OOTSMJXKYYWNJE-UHFFFAOYSA-N
-rxn:2:113753:151416,COc1cc(OCC2CCCCC2)ccc1NC1CCC(Cc2ccc(S(C)(=O)=O)cc2)CC1,NJQGMJSLUXTCCS-UHFFFAOYSA-N
-rxn:2:113753:166041,COc1cc(OCC2CCCCC2)ccc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,XCUCOVKXQKOGCF-UHFFFAOYSA-N
-rxn:2:113902:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCCC(C)C(C)C,DVSUQRFIOXZRRP-UHFFFAOYSA-N
-rxn:2:114060:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCN2C2CCCCC2)cn1,UJYLRGNBKKZCBD-UHFFFAOYSA-N
-rxn:2:114797:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCCN(CCC3CCCCN3C)C2)cn1,ZMWILDBGEYPSQC-UHFFFAOYSA-N
-rxn:2:115121:148941,CC(NCC1(N2CCCCCCC2)CCN(C)C1)c1cc(-c2ccc(S(C)(=O)=O)cc2)cs1,AFJWYDSYOWSANH-UHFFFAOYSA-N
-rxn:2:115847:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCN(C(C3CC3)C3CC3)C2)cn1,MYBQNZQIACRHEA-UHFFFAOYSA-N
-rxn:2:117540:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCc1ccc(OC(C)C)c(OC)c1,KIIJBQVAZNILLV-UHFFFAOYSA-N
-rxn:2:118320:155396,CC(=O)c1ccc(C2C(CSC(C)NCC3(CN(C)C)CCC3)C2(F)F)nc1,NKSPPUGCDDTIBZ-UHFFFAOYSA-N
-rxn:2:118716:140202,CC(NCC1CCN(CC2CCC2)CCO1)c1ccc(OS(C)(=O)=O)cc1,PXSBFBHWQWRPAU-UHFFFAOYSA-N
-rxn:2:118741:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC#Cc1ccc(OC)c(COC(C)C)c1,DYQRFLVGRSBIJG-UHFFFAOYSA-N
-rxn:2:120108:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CC2CN2CCCCCC2)cn1,LBMHTKYQVFMXCC-UHFFFAOYSA-N
-rxn:2:120136:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCC2CCN(C3CC3)CC2)cn1,WXOMJMZXEJIWBE-UHFFFAOYSA-N
-rxn:2:120552:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCC2CCN(CC3CCC3)CC2)cn1,BFCXTZDUPIGUBJ-UHFFFAOYSA-N
-rxn:2:120574:169217,Cc1cc(-c2ccc(OC3CC3)cc2)c2c(c1)C(NC13CCCC1CS(=O)(=O)C3)CCO2,ZDJJDTWESWRGRL-UHFFFAOYSA-N
-rxn:2:120592:74803,COCCN1CCN(c2ncccc2NC(C)c2ccc(C)n(CCC(C)C)c2=O)CC1,RXNFLWIZYWJCQX-UHFFFAOYSA-N
-rxn:2:120663:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCC(N3CCCCC3C)CC2)cn1,AJPUFQIPGKQGRF-UHFFFAOYSA-N
-rxn:2:121828:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC[C@@H]2CCCN3CCCC[C@H]23)cn1,FNZSXPCQQPJVCB-SABLBXBCSA-N
-rxn:2:121900:152050,CC(Nc1cc(=O)[nH]c(N2CCN(C)CC2)n1)SCCC#Cc1ccc(C(=O)C(C)C)cc1,MSJYDGGJBINXCK-UHFFFAOYSA-N
-rxn:2:122102:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(C)c1cc(C)ccc1OCC(C)C,JHPHKMRUNDHCSM-UHFFFAOYSA-N
-rxn:2:122307:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCN(CCC3CCCCN3C)CC2)cn1,SJDUZVNOJYHQPJ-UHFFFAOYSA-N
-rxn:2:122646:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc(OCCN3CCN(C)CC3)nc1)CC2,MEJBKYCXWYOFPK-UHFFFAOYSA-N
-rxn:2:123038:168553,Cc1nc2nc(N3CCCCC3)[nH]c(=O)c2cc1C(C)Nc1ccc(C(F)C2CCCN(C)C2)cc1,OBPBJTBDBDAEIG-UHFFFAOYSA-N
-rxn:2:123298:148822,Cc1ccc([C@@H](NC(c2ccc(S(C)(=O)=O)cc2)C2CCCCC2)C2CCCCC2)s1,RZCDPIHRQKPYTH-AMVUTOCUSA-N
-rxn:2:123537:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)N[C@@H](CC(C)C)c1cccc(OC)c1,ITXLUZXOIOSVDS-XADRRFQNSA-N
-rxn:2:124302:140202,CC(NCC(C1CC1)N(C)C1CCCCC1)c1ccc(OS(C)(=O)=O)cc1,MGCKXYBHFOAMLL-UHFFFAOYSA-N
-rxn:2:124516:167576,CC(NC(c1ccc(S(C)(=O)=O)cc1)c1cccs1)C1CCN(CC2CCCC2)CC1,QNIDVYJHGKGHOG-UHFFFAOYSA-N
-rxn:2:125033:161548,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3CCC3)C2(F)F)cc1,HCBGVXWCPRYFEB-UHFFFAOYSA-N
-rxn:2:125737:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCCC2CN2CCCC2)cn1,CGHVYHFCDMBPFO-UHFFFAOYSA-N
-rxn:2:126811:144909,CCC(C)C(CN1CCCN(C)CC1)NC(C)c1c(-c2ccc(C)cc2C)cn[nH]c1=O,NYQQLKAEQLPHGC-UHFFFAOYSA-N
-rxn:2:127548:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC(C)CCN2CCN3CCCCC3C2)cn1,PPCGCCBNUBIUSQ-UHFFFAOYSA-N
-rxn:2:129590:162102,COCC1CC(C)C(CNC(C)c2ccc(-c3ccccn3)c3c2OCO3)(S(C)(=O)=O)C1,YJUJNZZHYVSFGU-UHFFFAOYSA-N
-rxn:2:129728:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCCCN2CCCCCC2)cn1,BUBLKHISESYVEC-UHFFFAOYSA-N
-rxn:2:130453:167576,CC1CCC(CNC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)C(N2CCCC(C)C2C)C1,FUUXHVICEVFDBU-UHFFFAOYSA-N
-rxn:2:130680:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCN(CCC3CCCC3)CC2)cn1,HXSBKLNXWWGACW-UHFFFAOYSA-N
-rxn:2:130939:166522,COCCN1CCC(F)(CNC(CCC(C)C)c2ccc3[nH]c(=O)[nH]c3c2)CC1,HNGBWRCVVBIRPU-UHFFFAOYSA-N
-rxn:2:131176:140202,CC(NCC1CCCCCC1N(C)CC1CCCO1)c1ccc(OS(C)(=O)=O)cc1,AXGQWKDFPFDEEX-UHFFFAOYSA-N
-rxn:2:133170:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCC2CCCN3CCCCC23)cn1,FNZSXPCQQPJVCB-UHFFFAOYSA-N
-rxn:2:133274:161224,CCN1CCN(c2ccc(C(C)NC(c3c[nH]c(C(=O)/N=C/N(C)C)c3)c3ccccc3C)cn2)CC1,WCTSORWDDXZSMK-UZWMFBFFSA-N
-rxn:2:133274:161879,CCN1CCN(c2ccc(C(C)NC(c3c[nH]c(C(=O)N=CN(C)C)c3)c3ccccc3C)cn2)CC1,WCTSORWDDXZSMK-UHFFFAOYSA-N
-rxn:2:133605:140202,CC(NC1(C2CCSCC2)CCN(C)CC1)c1ccc(OS(C)(=O)=O)cc1,LAZPHCAJJNUJSO-UHFFFAOYSA-N
-rxn:2:134080:167576,CC(CCNC(c1ccc(S(C)(=O)=O)cc1)c1cccs1)N1CCCC1C1CCCC1,GQRDDRXVFAVBHP-UHFFFAOYSA-N
-rxn:2:134484:144472,CCCC(NC(CC(C)C)CN1CC(C)CC(C)C1)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,AXNSUBROMRMXAK-UHFFFAOYSA-N
-rxn:2:135464:140202,CC(NCC1CCCCC1OC1CCCCC1C)c1ccc(OS(C)(=O)=O)cc1,UQVUNVQOZPSVAF-UHFFFAOYSA-N
-rxn:2:136631:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCCCN2CCN2CCCC2)cn1,MWNZXDFGAGVEAQ-UHFFFAOYSA-N
-rxn:2:138351:145356,COc1ccc(-c2ccc(C(NCC3CCN(C4CCS(=O)(=O)C4)CC3)C3CC3)cc2)cn1,ZPIHMJHPUNSEPZ-UHFFFAOYSA-N
-rxn:2:138351:146535,CC(C)CCn1cc(-c2csc(C(C)NCC3CCN(C4CCS(=O)(=O)C4)CC3)c2)cn1,YDCLEKMJCIOAHY-UHFFFAOYSA-N
-rxn:2:138351:147255,CCOc1ccc(-c2ncccc2C(C)NCC2CCN(C3CCS(=O)(=O)C3)CC2)c(OC)c1,XCTKPYCGSPDPEY-UHFFFAOYSA-N
-rxn:2:138351:151583,COc1cccc(OC)c1-c1cccc2c1C(NCC1CCN(C3CCS(=O)(=O)C3)CC1)CO2,MIXZNFPXPDEIQF-UHFFFAOYSA-N
-rxn:2:138351:160127,COc1cccc(C)c1-c1ccc2c(c1)C(NCC1CCN(C3CCS(=O)(=O)C3)CC1)CO2,OPSGIHDWFBRMAI-UHFFFAOYSA-N
-rxn:2:138351:165705,COc1ccc(-c2ccc(C(NCC3CCN(C4CCS(=O)(=O)C4)CC3)C3CC3)cc2)c(OC)c1,LYIUQVFWKCPSKL-UHFFFAOYSA-N
-rxn:2:139310:156200,CCOc1ncccc1-c1cc2c(cc1C(C)NCC1CC(OS(C)(=O)=O)C1)OCCO2,WYDUFYMDFYNFGV-UHFFFAOYSA-N
-rxn:2:140054:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC1(c2ccccc2OC)CCC(F)(F)CC1,RQDAVNIKUGRTQY-UHFFFAOYSA-N
-rxn:2:140318:151092,COc1ccc(C(C)NC2CCCCC2OS(C)(=O)=O)cc1-c1ccc(OC(C)C)nc1,KTFHCARDGDUHLH-UHFFFAOYSA-N
-rxn:2:140318:157069,COc1cc(-c2ccnc(OC3CC3)c2)cnc1C(C)NC1CCCCC1OS(C)(=O)=O,PWZRUQWTJUIZEN-UHFFFAOYSA-N
-rxn:2:140318:169854,COc1ccc(C(C)NC2CCCCC2OS(C)(=O)=O)cc1-c1ccc(OC2CC2)cc1,PFTBWWOWHLWWKF-UHFFFAOYSA-N
-rxn:2:140716:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCCC(N3CCCCC3C)C2)cn1,CPSQCKQXVNCCPM-UHFFFAOYSA-N
-rxn:2:141357:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCCN2CCCC(N3CCCCCC3)C2)cn1,WXVGGDHGIDIICS-UHFFFAOYSA-N
-rxn:2:141924:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCCN2CCN(C3CCSCC3)CC2)cn1,NTVQAZUSQZXBIS-UHFFFAOYSA-N
-rxn:2:142169:145083,CCCC(NC(CCN1CCCN(C)CC1)C(C)C)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,ASEPAEXFYJMGDP-UHFFFAOYSA-N
-rxn:2:142169:152904,CCCC(NC(CCN1CCCN(C)CC1)C(C)C)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)cc1,RUFPVLSUWFNZAX-UHFFFAOYSA-N
-rxn:2:142169:154273,CCCC(NC(CCN1CCCN(C)CC1)C(C)C)c1ccc(-c2ccc3n[nH]c(=O)n3c2)cc1,GOCMXANNWKXZIL-UHFFFAOYSA-N
-rxn:2:159670:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1nc2cc(OC)ccc2cc1COC(C)C,JKBKPQHVDKLETD-UHFFFAOYSA-N
-rxn:2:166266:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(c1ccc2c(c1)oc(=O)n2C)C(C)C,IASVLUXQENRSKY-UHFFFAOYSA-N
-rxn:2:166706:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cc2ccc(OC)cc2nc1OC(C)C,VJDPFMJPAKDVLI-UHFFFAOYSA-N
-rxn:2:167084:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc3[nH]n(CCN(C)C)c(=O)c3c1)CC2,VWRDOVJZNVCAAG-UHFFFAOYSA-N
-rxn:2:167611:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cc(=O)[nH]n1C(C)c1ccc(OC)c(C)c1,FBWPUNIJMMEKQX-UHFFFAOYSA-N
-rxn:2:66038:164476,COc1ncc(-c2ccc(C(NC3CCC(OS(C)(=O)=O)CC3)C(C)C3CC3)cc2)cn1,YHFTZPZBYFEVHI-UHFFFAOYSA-N
-rxn:2:66228:156762,Cc1cc(-c2ccc(S(C)(=O)=O)nc2)ccc1C(C)NC1CCCC1N1CCCN(C)CC1,NQCHJRKSYLQPMQ-UHFFFAOYSA-N
-rxn:2:67132:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCN(C3CCN(C4CC4)CC3)C2)cn1,LPABAWIRQCGBKM-UHFFFAOYSA-N
-rxn:2:67144:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCCN2CCC(N3CCOCC3)CC2)cn1,UVNBTPBCOFYLOB-UHFFFAOYSA-N
-rxn:2:67729:154594,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NCCN3CCC(CC4CCN(C)CC4)CC3)nc2)cn1,AOVNDHJFGGFJQG-UHFFFAOYSA-N
-rxn:2:69338:152317,CCC(Cc1ccnc(C2CCCCC2)n1)NC(C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2,FTULZSGIRJUNEX-UHFFFAOYSA-N
-rxn:2:69490:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cccc(OC)c1COC(C)C,ZLSZMHHAUPDDKC-UHFFFAOYSA-N
-rxn:2:70018:79402,CN1CCC(c2ccnc(C3CCC(NCc4cccc(CN=S(C)(C)=O)c4)CC3)n2)C1,BHUGENCJXJNACR-UHFFFAOYSA-N
-rxn:2:70422:166005,CN1CCCC(COc2ncccc2CNC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)C1,PIKGYQRZXAXPNH-UHFFFAOYSA-N
-rxn:2:70482:165256,CC(NC1CCN(C2CCN3CCCC23)C(C)C1)c1csc(-c2ccc(S(C)(=O)=O)cc2)c1,SRVJAILIUOIWPI-UHFFFAOYSA-N
-rxn:2:70561:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC(CN2CCCC2)C2CC2)cn1,FINCMKSFCFETCV-UHFFFAOYSA-N
-rxn:2:70969:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccncc1OC(C)(C)CN(C)C)CC2,KWEINLXIJOUQIV-UHFFFAOYSA-N
-rxn:2:71723:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cccn(C(C)C(C)OC)c1=O,VYRNQOGLUONQIZ-UHFFFAOYSA-N
-rxn:2:72606:141971,CN(C)CCn1nc(C(C)(C)C)cc1NC1CCC2(CC1)C(F)(F)C21CC1,ATBDSUOEXFXWBE-UHFFFAOYSA-N
-rxn:2:72843:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCC(C3CCCC3)CC2)cn1,RTOYJJWYSOHUGY-UHFFFAOYSA-N
-rxn:2:73038:150685,CCC(NC(C)c1cc2cc(OC(C)C)ccc2[nH]c1=O)c1cnc(N2CCN(CC)CC2)cc1C,BPDYCFWTMWDTAY-UHFFFAOYSA-N
-rxn:2:73495:152317,Cc1ncc(C(CNC(C)c2ccc(OCc3ccccc3)c3c2=CCC(=O)N=3)N2CCCCCC2)cn1,ZJRNIDLTILUPIV-UHFFFAOYSA-N
-rxn:2:73502:79183,COc1ccc(NC(C)c2ccc(COS(C)(=O)=O)cc2)cc1C1CCN(C2CC2)CC1,QZZITCOHRLFWSU-UHFFFAOYSA-N
-rxn:2:73848:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCCCN2CCC2CCCCC2)cn1,YUEXJVRZCAUJQA-UHFFFAOYSA-N
-rxn:2:73930:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCCCN2CCC2CCCC2)cn1,PBQIPOYETBHNBT-UHFFFAOYSA-N
-rxn:2:74133:110698,CC(CCCN(C)C(C)C)NCC1CCCC(F)(F)CC1,BUSFOKPANGHLIW-UHFFFAOYSA-N
-rxn:2:74617:152237,Cc1cc(S(C)(=O)=O)ccc1-c1cc(C(C)NCCN2CCC(N3CCCCC3)CC2)cs1,IFBDFMHQVRCENK-UHFFFAOYSA-N
-rxn:2:74617:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCC(N3CCCCC3)CC2)cn1,XOVBWTUTASQVTI-UHFFFAOYSA-N
-rxn:2:74709:144472,CCCC(NCC1CN(C)CCC(C)N1CC(C)C)c1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1,UGAUYRTZMLDKQI-UHFFFAOYSA-N
-rxn:2:75444:162907,C=C=Cc1ccc(C(C)NC(C)C(c2ccccn2)N2CC(C)CC(C)C2)c(-c2cc(=O)[nH]cc2OC)c1,CZTJXVAUQJFCFU-UHFFFAOYSA-N
-rxn:2:75761:140202,CC(NCC1CCCCC1OC1CCCC1)c1ccc(OS(C)(=O)=O)cc1,VBMFBFGKJWHEBH-UHFFFAOYSA-N
-rxn:2:75910:76229,CC(C)COc1ccccc1C(NCC1CCC[Si](C)(C)CC1)C1CCCO1,TVKAJGSBTWGPMN-UHFFFAOYSA-N
-rxn:2:76416:167576,CC(CNC(c1ccc(S(C)(=O)=O)cc1)c1cccs1)CN1CCC(N2CCCCC2)CC1,GOIDKNSXPDIWBC-UHFFFAOYSA-N
-rxn:2:76532:144920,COC1CCOC2(CCN(CCCNC(C)c3c(-c4cccc(OC(C)C)c4)cn[nH]c3=O)CC2)C1,QWXCWBUAEOJBKW-UHFFFAOYSA-N
-rxn:2:76532:156657,CCn1ccc2cccc(-c3cnc(C(C)NCCCN4CCC5(CC4)CC(OC)CCO5)nc3)c21,HZZWQLOWSPQCCD-UHFFFAOYSA-N
-rxn:2:76664:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)N[C@H](CC(C)C)c1ccc(OC)nc1,NOKHXWLMKFJPLT-PPUHSXQSSA-N
-rxn:2:76797:143751,COc1cccc(-c2ccn(C3COC3)n2)c1C(C)NCC1(OC(C)C)CS(=O)(=O)C1,IILDXUMVYRUTKX-UHFFFAOYSA-N
-rxn:2:76846:161224,Cc1cc(N2CCN(C)CC2)ncc1C(C)NC(c1c[nH]c(C(=O)/N=C/N(C)C)c1)c1ccccc1C,WIYWJFIVEIFKDR-BIZUNTBRSA-N
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-rxn:2:77662:90859,COC(CN[C@H](Cn1nc(C2CC2)ccc1=O)C(C)C)C1CC(F)(F)C1,GZAOYLFEGIMBDO-TZHYSIJRSA-N
-rxn:2:77851:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CC(CN3CCN4CCCC4C3)C2)cn1,FPEJDECVAQPRPQ-UHFFFAOYSA-N
-rxn:2:78001:97286,Cc1ccc2c(c1)C(NCc1cncc(N=S(C)(C)=O)c1)C(CN1CCCCC1)CCO2,AZPYYITZWJVEQI-UHFFFAOYSA-N
-rxn:2:79266:156195,CC1CN(C)CC(CNC(C)c2ccc(-c3ccc(S(C)(=O)=O)cc3)s2)N(C2CC2)C1,KJVIRHVCUKIABW-UHFFFAOYSA-N
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-rxn:2:79415:125312,CCN(CC(C)C)CC1CCCC1NCC1(C)CCCC(F)(F)C1,HWNONPFCELJQEK-UHFFFAOYSA-N
-rxn:2:79857:143385,COCc1cc(N2CCC(Nc3ccc(=O)n(CCCN4CCCCC4)c3)CC2)nc(-c2ccncc2)n1,AIMIZIQNOHCMFI-UHFFFAOYSA-N
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-rxn:2:80604:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc3c(c1)ncn3CCCN(C)C)CC2,BVSGYQLYIOFWIT-UHFFFAOYSA-N
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-rxn:2:81033:126559,CC1CCC(NCCCC2(F)CC2)C(CN(C)C(C)C)C1,MMEYJFWWVXHDNO-UHFFFAOYSA-N
-rxn:2:81416:166041,COc1cc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)ccc1OCC1CCCCC1,IPHCWTWJARWWNM-UHFFFAOYSA-N
-rxn:2:81439:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCCN2CC2CCCCC2)cn1,NBKGDNYTNLWMJS-UHFFFAOYSA-N
-rxn:2:81500:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(C)c1ccc(OC(C)C)c(OC)c1,RPMHNZXDGOSTAD-UHFFFAOYSA-N
-rxn:2:83186:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)N[C@@H](CC(C)C)c1ccc(OC)cc1C,GFGHGICXFDZROP-ZZHFZYNASA-N
-rxn:2:84191:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cn(C(CC)CC)c(=O)[nH]c1=O,ZZXWJJFEOISBHL-UHFFFAOYSA-N
-rxn:2:84695:140202,CC(NCCC1CN(C2CC2)CCCN1C)c1ccc(OS(C)(=O)=O)cc1,ZIRUMAFELPWGDZ-UHFFFAOYSA-N
-rxn:2:84906:144694,CCOc1ccc(-c2ccc(C(NCC3CCCN(C4CCS(=O)(=O)C4)C3)C3CC3)cc2)cn1,RGGSWIWVYOGFAX-UHFFFAOYSA-N
-rxn:2:84906:169648,CC(NCC1CCCN(C2CCS(=O)(=O)C2)C1)c1sccc1-c1ccccc1C1=NC(C)(C)CO1,HUDMQBBKHZPEIE-UHFFFAOYSA-N
-rxn:2:84911:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CN(C3CCCC3)CC(C)CN2C)cn1,LXGJNNKESXABQH-UHFFFAOYSA-N
-rxn:2:86020:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cc(CN3CCCCCCC3)c(C)o2)cn1,TXKPEPVZVCSRSC-UHFFFAOYSA-N
-rxn:2:86426:166041,COc1cc2c(cc1OC)C(NC1CCC(COS(=O)(=O)c3ccc(C)cc3)CC1)CCO2,HUNVMVASEMFWSU-UHFFFAOYSA-N
-rxn:2:86924:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CN(C)CC(C)N2C2CCCCC2)cn1,VGWCVAUEUDLKLB-UHFFFAOYSA-N
-rxn:2:87711:161224,CCN1CCN(c2ncc(CNC(c3c[nH]c(C(=O)/N=C/N(C)C)c3)c3ccccc3C)cc2C)CC1,CTYCVRLTQJJUFC-FMFFXOCNSA-N
-rxn:2:88388:140202,CC(NOC1CCC(N(C)C2CCCC2)CC1)c1ccc(OS(C)(=O)=O)cc1,RSSIZDPBYOJRHL-UHFFFAOYSA-N
-rxn:2:88388:167576,CN(C1CCCC1)C1CCC(ONC(c2ccc(S(C)(=O)=O)cc2)c2cccs2)CC1,MLAILBRELLJVCQ-UHFFFAOYSA-N
-rxn:2:89040:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCCN2CCN(C3CCN(C)CC3)CC2)cn1,UJCHYMPBLIHSCY-UHFFFAOYSA-N
-rxn:2:89583:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC#Cc1cccc(OCC(C)C)c1,DPTXUCKKVRPFSD-UHFFFAOYSA-N
-rxn:2:91771:140202,CC(NOCC1CCCCN1CC1CCCO1)c1ccc(OS(C)(=O)=O)cc1,OLGJHMHTGMQUTI-UHFFFAOYSA-N
-rxn:2:92251:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(C)c1ccc(OCC(C)C)cc1,BZARLKAITOAAHV-UHFFFAOYSA-N
-rxn:2:92325:167576,CN(C1CCSC1)C(CNC(c1ccc(S(C)(=O)=O)cc1)c1cccs1)C1CCCCC1,KIYGSYYILKXWAS-UHFFFAOYSA-N
-rxn:2:92373:168561,O=c1[nH]c2ccc(C(C#CN3CCCCC3)NCCOc3cc(N4CCOCC4)ncn3)cc2[nH]1,YHCHTKGIEWMRQQ-UHFFFAOYSA-N
-rxn:2:92559:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCC(N3CCCC3)CC2)cn1,IPLYTDZUOWLWON-UHFFFAOYSA-N
-rxn:2:92910:166041,CCN1CCCC(COc2ncc(NC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)cn2)C1,WFPCREBXFKOTQD-UHFFFAOYSA-N
-rxn:2:92945:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCCCN2CCN2CCCCC2)cn1,XYZZMKYSASDPHA-UHFFFAOYSA-N
-rxn:2:94188:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCN(C3CCSCC3)CC2)cn1,PJDQAQUUUAQHNZ-UHFFFAOYSA-N
-rxn:2:94546:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(C)c1ccc(OCC(C)C)cc1C,ANSYBAADHLQXOD-UHFFFAOYSA-N
-rxn:2:94872:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCCC2CN2CCCCC2)cn1,SLLPIDQEDRDETK-UHFFFAOYSA-N
-rxn:2:95596:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1ccc(OCC2CCC(F)(F)CC2)nc1,LLEMYVMLCKLRNF-UHFFFAOYSA-N
-rxn:2:96530:144694,CCOc1ccc(-c2ccc(C(NCCC3CCN(C4CCS(=O)(=O)C4)C3)C3CC3)cc2)cn1,LBRKFFLQXKZGGL-UHFFFAOYSA-N
-rxn:2:97227:164084,CCOCC1CCCN(c2ccc(NC(C)c3ccc4oc(=O)n(C5CCN(C)CC5)c4c3)cn2)C1,VEWQUVAZPJCOPL-UHFFFAOYSA-N
-rxn:2:97286:163379,Cc1ccc2c(c1)C(NCc1cncc(N=S(C)(C)=O)c1)C(CN1CCN(C)CC1)CCO2,BULPODJAZSAGTN-UHFFFAOYSA-N
-rxn:2:97345:146292,CC(C)Cn1c2c(cc(CNC(C)c3cnc(-c4cnc(N5CCCCC5)nc4)s3)c1=O)CN(C)CC2,OGZVXVKOTDJRNS-UHFFFAOYSA-N
-rxn:2:97660:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCC(C)N(CC3CCCC3)C2)cn1,ROURRLDPUGPERR-UHFFFAOYSA-N
-rxn:2:97995:140202,CC(NCC(c1ccco1)N1CCCC2CCCCC21)c1ccc(OS(C)(=O)=O)cc1,CZSLGZCZXZHLIS-UHFFFAOYSA-N
-rxn:2:98237:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(C)c1ccc(OCC)nc1C,JUUWWIXRGXCUIR-UHFFFAOYSA-N
-rxn:1:10166:49466,CC(C)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,JGLWSNBTOLRVJD-UHFFFAOYSA-N
-rxn:1:10166:49479,CC(C)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCC3)CC2)nn1,QVQQPGZEUKBIKS-UHFFFAOYSA-N
-rxn:1:10229:49466,CCc1nc2sc(C)c(-c3cccs3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1,SMNVNEOCGLAYCS-UHFFFAOYSA-N
-rxn:1:10551:61464,O=C(NC1CCCCC1)c1ccc(Cn2cc(CN3CCN(S(=O)(=O)c4cccs4)CC3)nn2)s1,CNOWVFLYGIRPKD-UHFFFAOYSA-N
-rxn:1:11007:55248,CC1CCCCC1N(Cc1cn(CC2CC2c2cscc2C(=O)O)nn1)S(=O)(=O)c1ccc(Br)cc1,OGPYWZOWZKOJGR-UHFFFAOYSA-N
-rxn:1:11170:41321,CC1CCCCC1N(Cc1cn(CC=Cc2cccc(N3CCNCC3)c2)nn1)S(=O)(=O)c1cccs1,SZTZAMFDKRATSV-UHFFFAOYSA-N
-rxn:1:11170:61459,CC1CCCCC1N(Cc1cn(Cc2ccc(C(=O)N3CCN(C)CC3)s2)nn1)S(=O)(=O)c1cccs1,CCVKTAIHYONYNC-UHFFFAOYSA-N
-rxn:1:11170:64333,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3ncc(Br)cc3CO)C2)nn1)S(=O)(=O)c1cccs1,DQNXQOKRKTURKT-UHFFFAOYSA-N
-rxn:1:11170:64960,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3ncc(Br)cn3)C2)nn1)S(=O)(=O)c1cccs1,WCXUSKJYNZOJJO-UHFFFAOYSA-N
-rxn:1:11170:64963,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3ncc(I)cn3)C2)nn1)S(=O)(=O)c1cccs1,YYUQJUMRTGSCRY-UHFFFAOYSA-N
-rxn:1:11170:65294,CC1CCCCC1N(Cc1cn(CC2CC(=O)N(c3cccc(Cl)c3-n3ccnc3)C2)nn1)S(=O)(=O)c1cccs1,BFLOGCPPXNEUHZ-UHFFFAOYSA-N
-rxn:1:11485:49355,Cc1cc(Cl)ccc1N(Cc1cn([C@@H]2CCC[C@H]2N2CCCN(C)CC2)nn1)S(=O)(=O)c1cccs1,XGMVUSMERLCDJC-DNQXCXABSA-N
-rxn:1:11505:61137,Cc1ccnc(N(Cc2cn(C3CN(C(=O)CCC4CCCCC4)C3)nn2)S(=O)(=O)c2cccs2)c1,FZECPDDKFRNZSL-UHFFFAOYSA-N
-rxn:1:11505:61365,Cc1ccnc(N(Cc2cn(C3CN(CC(=O)NC4CCCCC4)C3)nn2)S(=O)(=O)c2cccs2)c1,GMKWQVMZHZVNPE-UHFFFAOYSA-N
-rxn:1:11505:62979,Cc1ccnc(N(Cc2cn(CC3CC(=O)N(C4(C)CCCCCC4)C3)nn2)S(=O)(=O)c2cccs2)c1,NXHZMWJWTINZHA-UHFFFAOYSA-N
-rxn:1:16356:64841,CSc1ccc(-n2ncc(-c3cn(CC4CC(=O)N(c5cc(S(=O)(=O)O)ccc5N)C4)nn3)c2CC2CCCC2)cc1,JKIVGKVKIUQJMH-UHFFFAOYSA-N
-rxn:1:16981:47073,Cc1cc(-n2cc(-c3cnn(C4CCCS(=O)(=O)C4)c3C3CCCCC3)nn2)nc(NS(=O)(=O)c2ccccc2Cl)n1,IZISPQYBHFVBJH-UHFFFAOYSA-N
-rxn:1:18101:48259,O=[N+]([O-])c1ccc2c(C(O)C(O)Cn3cc(-c4c5c(nn4C4CCCSC4)CCN(CC(F)(F)F)C5)nn3)n[nH]c2c1,MJYIPLRSWQFFBW-UHFFFAOYSA-N
-rxn:1:18101:48411,O=[N+]([O-])c1ccc2[nH]cc(C(O)C(O)Cn3cc(-c4c5c(nn4C4CCCSC4)CCN(CC(F)(F)F)C5)nn3)c2c1,KFTBIGPAEQGVOM-UHFFFAOYSA-N
-rxn:1:20209:62297,CSc1ccc(C(C)n2nc(C(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)cc1,SNTPGQSVRCRLTP-UHFFFAOYSA-N
-rxn:1:20548:62297,CC(c1ccc(F)cc1F)n1nc(C2CC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,BXPASXVMQLLGLN-UHFFFAOYSA-N
-rxn:1:20551:62297,CC(C)C(c1ccc(F)cc1)n1nc(C2CC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,RKVOBONJRWWGKK-UHFFFAOYSA-N
-rxn:1:20610:62297,CC(c1cc(F)ccc1F)n1nc(C2CC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,BWKXXGKUDZKYMN-UHFFFAOYSA-N
-rxn:1:20852:54836,CC(C1CCC1)n1nc(C2CCC2)cc1-c1cn(CCC2C(c3cc([N+](=O)[O-])c4cn[nH]c4c3)C2(F)F)nn1,OWPJJPKNWRFGIT-UHFFFAOYSA-N
-rxn:1:20854:51341,CC(C1CCCCC1)n1nc(C2CCC2)cc1-c1cn(CC2C(c3n[nH]c4cc([N+](=O)[O-])ccc34)C2(F)F)nn1,HQRUYJGTVSZSRT-UHFFFAOYSA-N
-rxn:1:20865:62297,CC(c1ccc(F)c(F)c1)n1nc(C2CCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,QOPOTNGYBWLLIC-UHFFFAOYSA-N
-rxn:1:20922:62297,CC(c1cc(F)ccc1F)n1nc(C2CCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,IRFKLZUJSKVJAI-UHFFFAOYSA-N
-rxn:1:21152:61550,CC(C1CCC1)n1nc(C2CCCCC2)cc1-c1cn(Cc2cc(OS(=O)(=O)F)cc(C(=O)O)c2)nn1,GZNMXXXYVBHYFK-UHFFFAOYSA-N
-rxn:1:21155:60476,CC(C1CCCCC1)n1nc(C2CCCCC2)cc1-c1cn(-c2ccccc2C(F)(F)c2nc3cc([N+](=O)[O-])ccc3[nH]2)nn1,NSQODILHAJYQPN-UHFFFAOYSA-N
-rxn:1:21155:60477,CC(C1CCCCC1)n1nc(C2CCCCC2)cc1-c1cn(-c2cccc(C(F)(F)c3nc4cc([N+](=O)[O-])ccc4[nH]3)c2)nn1,VOUVHLHOICMXHW-UHFFFAOYSA-N
-rxn:1:21155:60479,CC(C1CCCCC1)n1nc(C2CCCCC2)cc1-c1cn(-c2cccc(C(F)(F)c3nc4c([N+](=O)[O-])cccc4[nH]3)c2)nn1,YNIQDPAZMZLBKL-UHFFFAOYSA-N
-rxn:1:21223:62297,CC(c1ccccc1C(F)(F)F)n1nc(C2CCCCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,GRNLJKCLNBPUSL-UHFFFAOYSA-N
-rxn:1:21504:62297,Cc1cccc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1F,ADNTVYSHSFLPEN-UHFFFAOYSA-N
-rxn:1:21546:62297,Cc1cccc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1Br,VMTYMSIQIPWHKH-UHFFFAOYSA-N
-rxn:1:21560:62297,Cc1cccc(Cn2nc(CC(C)C)cc2-c2cn(C3CC(n4ccc(=O)[nH]c4=O)OC3COP(=O)(O)O)nn2)c1Cl,DTIAWDGDGFQTLD-UHFFFAOYSA-N
-rxn:1:21982:62297,CC(c1ccc(F)cc1)n1nc(C2CCCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,MOCXTVBOJSYMQX-UHFFFAOYSA-N
-rxn:1:21987:62297,CC(c1ccc(F)cc1F)n1nc(C2CCCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,JPYCLISLVCZLBP-UHFFFAOYSA-N
-rxn:1:21992:62297,CCC(c1ccc(F)cc1F)n1nc(C2CCCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,OSYROHQQBSUSDL-UHFFFAOYSA-N
-rxn:1:22049:62297,CC(c1cccc(F)c1F)n1nc(C2CCCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,IYUXJCUIKLCIQP-UHFFFAOYSA-N
-rxn:1:22050:62297,CC(c1ccccc1C(F)(F)F)n1nc(C2CCCC2)cc1-c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,PSOPACMFEOQKHO-UHFFFAOYSA-N
-rxn:1:22769:59740,Nc1c(I)c(C2CCCCC2)nn1-c1cncc(-c2cn(C3CCCN(S(=O)(=O)C4CC4)C3)nn2)c1,HJWXYZXDYSBIMM-UHFFFAOYSA-N
-rxn:1:22909:59779,Nc1c(Br)c(C2CNC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)c1,VTZPYTRAQTWXQD-UHFFFAOYSA-N
-rxn:1:22909:59780,Nc1c(Br)c(C2CNC2)nn1-c1cncc(-c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,JCXZZINYVGAQOK-UHFFFAOYSA-N
-rxn:1:22910:59779,Nc1c(Cl)c(C2CNC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)c1,MFCMBGUTGICNLH-UHFFFAOYSA-N
-rxn:1:22910:59780,Nc1c(Cl)c(C2CNC2)nn1-c1cncc(-c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,IAHLUQKKVYSFDB-UHFFFAOYSA-N
-rxn:1:27617:57785,CSc1ncc(CCCn2cc(C(C)(C)N3CC(CS(=O)(=O)Cl)CC3=O)nn2)c(O)n1,ZNLJOVFUAIFJPR-UHFFFAOYSA-N
-rxn:1:3058:59591,CC1(C)OB(C(F)=C(CN2CC(n3cc(-c4c[nH]nc4[N+](=O)[O-])nn3)C2)c2ccc(Cl)cc2)OC1(C)C,PMFBSGQADXQHHY-UHFFFAOYSA-N
-rxn:1:31968:42973,Cc1[nH]nc(C(F)(F)F)c1C#CCn1cc(N(CC2COC(C)(C)O2)S(C)(=O)=O)nn1,AZFXWGIKNUIMHB-UHFFFAOYSA-N
-rxn:1:31968:49891,CSc1ncc(C2C(Cn3cc(N(CC4COC(C)(C)O4)S(C)(=O)=O)nn3)C2(F)F)cn1,SWTDYBPUYJPPAS-UHFFFAOYSA-N
-rxn:1:31968:49926,CCc1nc(C)c(C2C(Cn3cc(N(CC4COC(C)(C)O4)S(C)(=O)=O)nn3)C2(F)F)[nH]1,MREJHHOBZOBKCY-UHFFFAOYSA-N
-rxn:1:31968:49942,COc1ncc(C2C(Cn3cc(N(CC4COC(C)(C)O4)S(C)(=O)=O)nn3)C2(F)F)cn1,UOBDMKRSSRSIHH-UHFFFAOYSA-N
-rxn:1:31968:49944,COc1ccc(C2C(Cn3cc(N(CC4COC(C)(C)O4)S(C)(=O)=O)nn3)C2(F)F)nn1,OZEKQXCFCKOJLR-UHFFFAOYSA-N
-rxn:1:31968:58178,Cc1[nH]nc(C(F)(F)F)c1CCCn1cc(N(CC2COC(C)(C)O2)S(C)(=O)=O)nn1,MBTBIKKEKACJEG-UHFFFAOYSA-N
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-rxn:1:32419:53579,Cc1ccc(C2C(CCn3cc(CSC4=NC(=CN(C)C)C(=O)N4)nn3)C2(F)F)c(C)c1,LWUMAKRECUPDIV-UHFFFAOYSA-N
-rxn:1:32419:53735,CCc1nc(C)c(C2C(CCn3cc(CSC4=NC(=CN(C)C)C(=O)N4)nn3)C2(F)F)[nH]1,QIKAKYMCXZGXEO-UHFFFAOYSA-N
-rxn:1:32419:53789,Cc1cnc(Cl)c(C2C(CCn3cc(CSC4=NC(=CN(C)C)C(=O)N4)nn3)C2(F)F)c1,RQJHPVZBFRRXLX-UHFFFAOYSA-N
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-rxn:1:37978:49336,CNS(=O)(=O)c1ccc2oc(C(F)(F)c3ccc(-c4cn([C@@H]5CCC[C@H]5N5CCCCCC5)nn4)cc3)nc2c1,GIWOOBVBQJGUEO-JWQCQUIFSA-N
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-rxn:1:41321:11170,CC1CCCCC1N(Cc1cn(CC=Cc2cccc(N3CCNCC3)c2)nn1)S(=O)(=O)c1cccs1,SZTZAMFDKRATSV-UHFFFAOYSA-N
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-rxn:1:42693:9629,NS(=O)(=O)c1ccc(C#CCn2cc(COc3cn(C4CCCCCCCCCCC4)ccc3=O)nn2)s1,MVZKHUJYHCQDMA-UHFFFAOYSA-N
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-rxn:1:44519:9268,C[Si](C)(C)OC1COCC1n1cc(CN2C(=O)C3(C(C#N)=C(n4cccc4)N(c4ccc(Br)cn4)C4=C3C(=O)CCC4)c3ccccc32)nn1,LINVVKOAHBFSMJ-UHFFFAOYSA-N
-rxn:1:4760:59779,COc1ccc(-c2csc3nc(SCc4cn(C5CCN(S(=O)(=O)N6CCCCCC6)CC5)nn4)nc(Cl)c23)cc1,HBOTZHHJJUCKLJ-UHFFFAOYSA-N
-rxn:1:4760:59780,COc1ccc(-c2csc3nc(SCc4cn(C5CCCN(S(=O)(=O)N6CCCCCC6)C5)nn4)nc(Cl)c23)cc1,CXDOJZLYLWHLDU-UHFFFAOYSA-N
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-rxn:1:49277:29661,Nc1ncnc2[nH]cc(C(O)C(O)CCn3cc(-c4cc(N5CCCC(C(F)(F)F)C5)ccc4[N+](=O)[O-])nn3)c12,VYJRPYLESTXXBQ-UHFFFAOYSA-N
-rxn:1:49463:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)c5c(C)noc5C)CC4)nn3)c2C2CCCCC2)cc1,OAWMDROVPXMWTE-UHFFFAOYSA-N
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-rxn:1:51211:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(CC2C(c3cnc(-n4ccnc4)nc3)C2(F)F)nn1,JWGAQZBCSGYIFB-UHFFFAOYSA-M
-rxn:1:51228:9278,N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)C12C(=O)N(Cc1cn(CC3C(c4ccc5c(=O)[nH]cnc5c4)C3(F)F)nn1)c1ccccc12,FJHUQJJPYWUJHH-UHFFFAOYSA-N
-rxn:1:51248:37738,N#CC1(c2cccc(C3C(Cn4cc(Cn5ncc6cc(N7C(=O)C8=C(CCCC8)C7=O)ccc65)nn4)C3(F)F)c2)CC1,KKCOIIOSLQKEDF-UHFFFAOYSA-N
-rxn:1:51456:31968,COC(=O)c1cc(C2C(Cn3cc(N(CC4COC(C)(C)O4)S(C)(=O)=O)nn3)C2(F)F)cc2[nH]ncc12,CBGGYSIPTMBNPI-UHFFFAOYSA-N
-rxn:1:51504:21976,CC(C1CCCC1)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3cnn(-c4ccccc4[N+](=O)[O-])c3)C2(F)F)nn1,ZXZXORGKHLOBCZ-UHFFFAOYSA-N
-rxn:1:54720:29570,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(CCC2C(c3cnc(-n4ccnc4)nc3)C2(F)F)nn1,QHEFVCGDQMUAEO-UHFFFAOYSA-M
-rxn:1:57565:29099,CC1(C)OB(C(F)=C(c2cnn(Cc3cn(CCCc4nc([N+](=O)[O-])c[nH]4)nn3)c2)C(F)(F)F)OC1(C)C,WSIAQFIZFCFVBD-UHFFFAOYSA-N
-rxn:1:57761:17727,N#Cc1cnc(Cl)c(CCCn2cc(-c3cc(C4CCCCC4)n(C4CCCS(=O)(=O)C4)n3)nn2)c1,JHWQUHVUTPDIEJ-UHFFFAOYSA-N
-rxn:1:58601:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CCN4CCCCC4C(N)=O)nn3)c2C2CCCCC2)cc1,QRMMIPYEKPVMEJ-UHFFFAOYSA-N
-rxn:1:59779:10147,Cc1nc2scc(-c3ccc(Cl)c(Cl)c3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,QFAZQAXQESDFDE-UHFFFAOYSA-N
-rxn:1:59779:10160,CC(C)c1nc2scc(-c3ccccc3)c2c(=O)n1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,BHZRWRQGBYGSMF-UHFFFAOYSA-N
-rxn:1:59779:11485,Cc1cc(Cl)ccc1N(Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1)S(=O)(=O)c1cccs1,GLORFBKAIVYESB-UHFFFAOYSA-N
-rxn:1:59779:16819,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)c2C(C)C)cc1,RHPFNSSREHDNGT-UHFFFAOYSA-N
-rxn:1:59779:22747,Nc1c(Br)c(C2CCC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)c1,PNPXOACODMIWIN-UHFFFAOYSA-N
-rxn:1:59779:22749,Nc1c(I)c(C2CCC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)c1,MLCKIWWHZKNQOY-UHFFFAOYSA-N
-rxn:1:59779:22829,Nc1c(Cl)c(C2CCCC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)CC3)nn2)c1,HJALTRXRJHWCDW-UHFFFAOYSA-N
-rxn:1:59779:25634,Cc1cc(N2CC(c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)CC2=O)n(-c2ccc(F)cc2)n1,UHWPLHRIERCDDH-UHFFFAOYSA-N
-rxn:1:59779:28620,Cc1c(Cl)cccc1-n1ccn2c(=O)n(Cc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)nc2c1=O,PGIZGMRLYWBGBP-UHFFFAOYSA-N
-rxn:1:59779:4760,COc1ccc(-c2csc3nc(SCc4cn(C5CCN(S(=O)(=O)N6CCCCCC6)CC5)nn4)nc(Cl)c23)cc1,HBOTZHHJJUCKLJ-UHFFFAOYSA-N
-rxn:1:59779:4962,Cc1csc(-c2ccc(N)c(OCc3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)c2)n1,DGQXJYBBNNEHGU-UHFFFAOYSA-N
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-rxn:1:59779:6925,N#CCc1cc(-c2cccs2)nn1Cc1cn(C2CCN(S(=O)(=O)N3CCCCCC3)CC2)nn1,YKJNUTMCXXVMDO-UHFFFAOYSA-N
-rxn:1:59780:10412,O=c1[nH]c2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,BCYOAPJYNDIELG-UHFFFAOYSA-N
-rxn:1:59780:10414,O=c1[nH]c2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,ANMJEWLJAHXAAB-UHFFFAOYSA-N
-rxn:1:59780:10447,Cc1sc2ncnc(SCc3cn(C4CCCN(S(=O)(=O)N5CCCCCC5)C4)nn3)c2c1-c1ccc(Cl)cc1,UGSPOZDORFFRRH-UHFFFAOYSA-N
-rxn:1:59780:25893,Cc1nc(-c2cccc(N3CC(c4cn(C5CCCN(S(=O)(=O)N6CCCCCC6)C5)nn4)CC3=O)c2)cs1,FTAKHHWSOITJPT-UHFFFAOYSA-N
-rxn:1:59780:36187,Cc1cc(S(C)(=O)=O)ccc1-c1ccc(-c2cn(C3CCCN(S(=O)(=O)N4CCCCCC4)C3)nn2)nc1,IOZFRLMZFIBYCN-UHFFFAOYSA-N
-rxn:1:59780:38007,Nc1cc2nc(C(F)(F)c3ccc(-c4cn(C5CCCN(S(=O)(=O)N6CCCCCC6)C5)nn4)cc3)oc2cc1O,IPSSEPFGLNPUCL-UHFFFAOYSA-N
-rxn:1:59780:4760,COc1ccc(-c2csc3nc(SCc4cn(C5CCCN(S(=O)(=O)N6CCCCCC6)C5)nn4)nc(Cl)c23)cc1,CXDOJZLYLWHLDU-UHFFFAOYSA-N
-rxn:1:59784:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)c5ccc(C)cc5C)C4)nn3)c2C2CCCCC2)cc1,KAARBYKBAZLKTG-UHFFFAOYSA-N
-rxn:1:59791:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CC4CCCN4S(=O)(=O)c4ccc(C)cc4)nn3)c2C2CCCCC2)cc1,RABISENIVQPVMP-UHFFFAOYSA-N
-rxn:1:59798:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(CC4CCCN4S(=O)(=O)C4CC4)nn3)c2C2CCCCC2)cc1,LYFHFWYSSDMMHE-UHFFFAOYSA-N
-rxn:1:60198:23315,CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2(O)c1cn(-c2c(I)ccnc2F)nn1,OFYKUQWBNRUFSR-UHFFFAOYSA-N
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-rxn:1:60287:21166,CC(c1ccc(F)c(F)c1)n1nc(C2CCCCC2)cc1-c1cn(CC2CCCN2S(=O)(=O)c2cn(C)cn2)nn1,KEYADWKOLXHOGB-UHFFFAOYSA-N
-rxn:1:60287:21170,CCC(c1ccc(F)cc1F)n1nc(C2CCCCC2)cc1-c1cn(CC2CCCN2S(=O)(=O)c2cn(C)cn2)nn1,AWMFCEKPZLWODD-UHFFFAOYSA-N
-rxn:1:60287:21220,CC(c1c(F)cccc1F)n1nc(C2CCCCC2)cc1-c1cn(CC2CCCN2S(=O)(=O)c2cn(C)cn2)nn1,LXJXZAWTOGLGDR-UHFFFAOYSA-N
-rxn:1:60287:21345,Cc1ccc(F)c(Cn2nc(C3CCCCC3)cc2-c2cn(CC3CCCN3S(=O)(=O)c3cn(C)cn3)nn2)c1Br,ZLJUXRBXZXLOFH-UHFFFAOYSA-N
-rxn:1:60287:21384,CCc1cc(Cn2nc(C3CCCCC3)cc2-c2cn(CC3CCCN3S(=O)(=O)c3cn(C)cn3)nn2)ccc1Cl,JWDVPBASCQBZFR-UHFFFAOYSA-N
-rxn:1:60288:22769,CCn1cc(S(=O)(=O)N2CCCC(n3cc(-c4cncc(-n5nc(C6CCCCC6)c(I)c5N)c4)nn3)C2)nc1C,ZFGDDIYSLGIDSF-UHFFFAOYSA-N
-rxn:1:60300:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)C5CCCCC5)C4)nn3)c2C2CCCCC2)cc1,XXBCDEQPHINDOE-UHFFFAOYSA-N
-rxn:1:60320:16974,CCS(=O)(=O)c1ccc(-n2ncc(-c3cn(C4CCCN(S(=O)(=O)c5cc(C)ccc5C)C4)nn3)c2C2CCCCC2)cc1,CCRNAEHVTHHYDF-UHFFFAOYSA-N
-rxn:1:60658:16677,Nc1cnn(-c2ccc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)C4)nn3)cc2)c1CC1CCC1,OBSTXVLXJFZROZ-UHFFFAOYSA-N
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-rxn:1:60658:22729,Nc1c(I)c(C2CC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,RYRNSWMGJXKMQX-UHFFFAOYSA-N
-rxn:1:60658:22747,Nc1c(Br)c(C2CCC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,XQVQBAZWCUMIJX-UHFFFAOYSA-N
-rxn:1:60658:22748,Nc1c(Cl)c(C2CCC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,CFBXADNZUZBTRK-UHFFFAOYSA-N
-rxn:1:60658:22749,Nc1c(I)c(C2CCC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,WTNJQCYFEFCKPZ-UHFFFAOYSA-N
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-rxn:1:60658:22829,Nc1c(Cl)c(C2CCCC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,LQNOTLROUHAXDO-UHFFFAOYSA-N
-rxn:1:60658:22830,Nc1c(I)c(C2CCCC2)nn1-c1cncc(-c2cn(C3CCN(S(=O)(=O)N4CCCCCC4)C3)nn2)c1,LXISWHLELULKKA-UHFFFAOYSA-N
-rxn:1:60658:4760,COc1ccc(-c2csc3nc(SCc4cn(C5CCN(S(=O)(=O)N6CCCCCC6)C5)nn4)nc(Cl)c23)cc1,ZYGSRANQYMFFSC-UHFFFAOYSA-N
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-rxn:2:110220:124494,O=S(=O)(c1cccs1)C1CCC(NCC#Cc2ccc(COC3CCCC3)s2)CC1,VHCMTYBRPGDXTK-UHFFFAOYSA-N
-rxn:2:110486:152707,CCOC1(CNC(C)c2ccc(OC)c(-c3cc(=O)[nH]c(=O)[nH]3)c2)CC(C)CC(C)(C)C1,BDEBEJDBTRXWDU-UHFFFAOYSA-N
-rxn:2:111134:128108,CC(C)C(C)N(C)CCNC1C(F)(F)CCCCC12CCC2,KFEABSOYMIMGDP-UHFFFAOYSA-N
-rxn:2:111816:166041,COc1ccc(OC)c2c1OCC[C@@H]2NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,OHWKYVOOLSNBIA-GRERDSQWSA-N
-rxn:2:112787:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2ccc(C)nc2N(C)C2CCCCCC2)cn1,KKBYSKWJSFQRGT-UHFFFAOYSA-N
-rxn:2:113140:166041,COc1ccc(C)cc1C1CC1CNC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,LDYBNPVSXXRVTJ-UHFFFAOYSA-N
-rxn:2:113753:164678,COc1cc(OCC2CCCCC2)ccc1NC1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1,XWCDLVFBMDMSSU-UHFFFAOYSA-N
-rxn:2:114047:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCN(Cc3cc(C4CC4)n[nH]3)CC2)cn1,LBUSDPOGEIJIQY-UHFFFAOYSA-N
-rxn:2:114215:120702,CC(C)C1C(F)(F)C12CCC(NCC1(N(C)Cc3cnn(C)c3)CCN(C)C1)CC2,GIIFZDOTABZGRJ-UHFFFAOYSA-N
-rxn:2:115777:120702,CC(C)C1C(F)(F)C12CCC(NCCc1nccc(N(C)C3CCN(C)CC3)n1)CC2,KQYQJEDEDPICSF-UHFFFAOYSA-N
-rxn:2:116823:160854,CC(C)CCn1c2c(cc(C(C)NC(CSc3nccn3C)C(C)C)c1=O)CN(C)CC2,SHWZTPHVYKUOOD-UHFFFAOYSA-N
-rxn:2:117768:146604,CC(NC(C)C(c1ccncc1)N(C)C(C)C)c1cc2c(n(C3CC3)c1=O)CCN(C)C2,QUVJLZLDNXWZSK-UHFFFAOYSA-N
-rxn:2:117769:158492,CC(C)c1ccc(C(CN2CCCCC2)NCC(C)C(c2ccc3oc(=O)[nH]c3c2)N(C)C)cc1,OMZFOVGQVFGRQO-UHFFFAOYSA-N
-rxn:2:117849:166041,COc1cc(CNC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC1CCOCC1,CZMWDHCXWHBIOM-UHFFFAOYSA-N
-rxn:2:119728:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cc(CN3CCCC4CCCCC43)on2)cn1,CJAVEDGLUMMZDD-UHFFFAOYSA-N
-rxn:2:120592:148695,COCCN1CCN(c2ncccc2NC(C)c2ccc(-c3ccc(C)cc3C)n(CC(C)C)c2=O)CC1,SQWCEFKERPUMQN-UHFFFAOYSA-N
-rxn:2:120670:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NOCC2CCN(CC3CCCO3)CC2)cn1,GUSNFPZJBZRFEG-UHFFFAOYSA-N
-rxn:2:120702:156863,CC(C)C1C(F)(F)C12CCC(NC(C)(C)C(c1ccc3[nH]c(=O)[nH]c3c1)N(C)C)CC2,LCKQPWAEMHKYCK-UHFFFAOYSA-N
-rxn:2:121706:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2(N(C)CC3CC3)CCN(C)CC2)cn1,VRKQDGJUAMCFCH-UHFFFAOYSA-N
-rxn:2:121900:147728,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]c(N4CCN(C)CC4)n3)C2(F)F)cn1,OBYNEDJNPSLSIC-UHFFFAOYSA-N
-rxn:2:121900:156343,CC(=O)c1ccc(C2C(CCSC(C)Nc3cc(=O)[nH]c(N4CCN(C)CC4)n3)C2(F)F)cn1,RTDVAWXVPCCTMX-UHFFFAOYSA-N
-rxn:2:121900:93304,CCN(C(C)C)C(C)C(Nc1cc(=O)[nH]c(N2CCN(C)CC2)n1)c1cc(C)ccc1C,SQPCGLRHLYEKCT-UHFFFAOYSA-N
-rxn:2:122269:166041,COc1sc(C2CCCC2)cc1CNC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,HMJQVXJJCHALLN-UHFFFAOYSA-N
-rxn:2:122412:143784,CCC(NCc1nccc(N2CCC(OC)CC2)n1)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,JUDMKOCTZLHFGU-UHFFFAOYSA-N
-rxn:2:122859:163813,CCN1CCN(c2nc(NC(C)SCC#Cc3ccc(C(=O)C4CC4)cc3)cc(=O)[nH]2)CC1,IAWMKDXTWCSBOG-UHFFFAOYSA-N
-rxn:2:122859:84742,CCN1CCN(c2nc(NC(CN(C)CC(C)C)c3ccc(C)cc3C)cc(=O)[nH]2)CC1,IBHGSQUZAWYNBE-UHFFFAOYSA-N
-rxn:2:122859:84774,CCc1ccc(C(Nc2cc(=O)[nH]c(N3CCN(CC)CC3)n2)C(C)N(C)C(C)C)cc1,RFOIEZIXQSQDBZ-UHFFFAOYSA-N
-rxn:2:124622:120702,CC(C)C1C(F)(F)C12CCC(NCc1ccc(CN(C)C3CCN(C)CC3)o1)CC2,GGERRMSZBIMKEZ-UHFFFAOYSA-N
-rxn:2:124973:164350,CCC(NC(C)c1ccc(-c2cc(OC)ccc2OC)[nH]c1=O)C(C)N1CC(C)OC(C)(C)C1,VLGYSTYIJLVVFN-UHFFFAOYSA-N
-rxn:2:125033:144270,CC(=O)c1cccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3CCC3)C2(F)F)n1,JYRKTJBOOYUHIH-UHFFFAOYSA-N
-rxn:2:125033:156343,CC(=O)c1ccc(C2C(CCSC(C)Nc3cc(=O)[nH]n3C(C)C3CCC3)C2(F)F)cn1,ICCUTWQBGRWVLZ-UHFFFAOYSA-N
-rxn:2:126293:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2cncnc2OC2CCCC2N(C)C2CC2)cn1,JHFQHFMABNVEQK-UHFFFAOYSA-N
-rxn:2:126512:119754,CCC1C(F)(F)C12CCC(NCc1cn(CCN(C)C)nc1C(C)(C)C)CC2,BHSJXBOVICVNQV-UHFFFAOYSA-N
-rxn:2:126811:145280,CCC(C)C(CN1CCCN(C)CC1)NC(C)c1cc2cc(-c3cnc(OC)nc3)ccc2oc1=O,VTSIFCRXGWQJBJ-UHFFFAOYSA-N
-rxn:2:127288:150092,Cc1c(C(C)NC(C)c2cnc(-c3ccc(OC4CCOCC4)nc3)cn2)cnn1C1CCS(=O)(=O)C1,NIJVAWYXMQVJJV-UHFFFAOYSA-N
-rxn:2:127473:166041,COc1cc(O[C@@H]2CCOC2)ccc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,YVPOOPGKERKKBJ-QETWGEEDSA-N
-rxn:2:127647:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC(C2CCCC2)N(C)C2CCCN(C)C2)cn1,DDKTUQKYWLVQLS-UHFFFAOYSA-N
-rxn:2:128171:144936,COc1ccc(C(NCC2(N(C)C)CCN(C)CC2)c2cnc(/N=C/N(C)C)s2)cc1,NISVHTGWOLHAAV-YZSQISJMSA-N
-rxn:2:128171:151346,COc1ccc(C(NCC2(N(C)C)CCN(C)CC2)c2cnc(N=CN(C)C)s2)cc1,NISVHTGWOLHAAV-UHFFFAOYSA-N
-rxn:2:128765:126794,CC(NCC(C)(C(C)C)N1CCC(N(C)C)CC1)c1cccc(C2(F)CC2)c1,HJJGCKMEYFTAER-UHFFFAOYSA-N
-rxn:2:129395:161224,CCC(NC(c1c[nH]c(C(=O)/N=C/N(C)C)c1)c1ccccc1C)c1cnc(N2CCN(C)CC2)c(C)c1,DUHMYRKTGYSJKK-FMFFXOCNSA-N
-rxn:2:129395:161879,CCC(NC(c1c[nH]c(C(=O)N=CN(C)C)c1)c1ccccc1C)c1cnc(N2CCN(C)CC2)c(C)c1,DUHMYRKTGYSJKK-UHFFFAOYSA-N
-rxn:2:129951:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2(c3nc(C)cc(C4CCCN(C)C4)n3)CC2)cn1,PKSFHZIUIUPRQE-UHFFFAOYSA-N
-rxn:2:130417:140202,CC(NCC1(OC2CCOCC2)CCCCC1)c1ccc(OS(C)(=O)=O)cc1,MYHYRIPMTQWLMF-UHFFFAOYSA-N
-rxn:2:130599:166041,COc1ccc(C2(NC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)CCCC2)c(C)c1,ODNYWBFONZVIJI-UHFFFAOYSA-N
-rxn:2:131088:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCC2CCC(N3CCC(N(C)C)C3)C2)cn1,UMUOGDLQHHUKNF-UHFFFAOYSA-N
-rxn:2:133599:155591,CCS(=O)(=O)c1ccc(-c2ccc(C(C)NCC3(N(C)C4CCOCC4)CCN(C)CC3)nc2)nc1,HCQUFWPCNMRFCB-UHFFFAOYSA-N
-rxn:2:133599:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2(N(C)C3CCOCC3)CCN(C)CC2)cn1,CCJQUFLBLNYOAL-UHFFFAOYSA-N
-rxn:2:134309:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)N[C@@H](CC(C)C)c1ccc(C)c(OC)c1,PLCDKIAFWJQWDR-CHQVSRGASA-N
-rxn:2:134439:160431,COc1cc(C2CC(NC3CCCCCC3OS(=O)(=O)c3ccc(C)cc3)C2)c(OC)cc1C,DGIHZYBVANPOGL-UHFFFAOYSA-N
-rxn:2:134614:152573,CCc1nc2cc(C(CN3CC(C)CC(C)C3)NC(C)C(c3cccc(C)c3)N(C)OC)ccc2[nH]1,VTDIHTMHXDVQFE-UHFFFAOYSA-N
-rxn:2:137901:166041,COc1ccc(C2CCC(NC3CCC(COS(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1C,PHRMMEZHYPPMLL-UHFFFAOYSA-N
-rxn:2:138546:106532,CC(CCC(c1ccc2c(c1)OCCO2)N(C)C)Nc1ccc(N2CCC(N(C)C)CC2)cn1,VGEGOVAUQUKNGF-UHFFFAOYSA-N
-rxn:2:138546:117244,CC(C)CCC(CC(C)C)Nc1ccc(N2CCC(N(C)C)CC2)cn1,CPVZAOZGWAYEJZ-UHFFFAOYSA-N
-rxn:2:138546:123273,CC(C)OCCC(Nc1ccc(N2CCC(N(C)C)CC2)cn1)C(C)C,AAEUQGSNVDDMDS-UHFFFAOYSA-N
-rxn:2:138546:136477,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1CCCC2Nc1ccc(N2CCC(N(C)C)CC2)cn1,UZOYMSHALUNLNA-UHFFFAOYSA-N
-rxn:2:138546:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)Nc1ccc(N2CCC(N(C)C)CC2)cn1,UOVRFZKUEBATLW-UHFFFAOYSA-N
-rxn:2:138546:67548,CC(C)c1nc(CCN(C)C)sc1C(C)Nc1ccc(N2CCC(N(C)C)CC2)cn1,QDPQKHLLWMCUPG-UHFFFAOYSA-N
-rxn:2:138546:68461,CC1CCN(CC(Nc2ccc(N3CCC(N(C)C)CC3)cn2)c2cccn2C)C(C)C1,OFWDDLLHAVIWOY-UHFFFAOYSA-N
-rxn:2:138546:80611,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1CCC2Nc1ccc(N2CCC(N(C)C)CC2)cn1,RPHLWQMBOHFWPB-UHFFFAOYSA-N
-rxn:2:138595:166041,COc1ccc([C@@H](NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)C2CCC2)c(C)c1,YUBUYQCVJOCQPR-ZKPZBSICSA-N
-rxn:2:139034:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(c1ccc(OC)cc1OC)C1CC1C,SGDFPJAGRIHFCR-UHFFFAOYSA-N
-rxn:2:139425:119754,CCC1C(F)(F)C12CCC(NCC(C)(C(C)C)N(C)C1CCCC1)CC2,ZPWDFDCJQRXDOL-UHFFFAOYSA-N
-rxn:2:139425:141212,CC(C)C(C)(CNC1CCC(F)(F)C2CCC12)N(C)C1CCCC1,DQWFFYYKKRIBAC-UHFFFAOYSA-N
-rxn:2:139580:120702,CC(C)C1C(F)(F)C12CCC(Nc1cccc(C(C)N(C)C3CCN(C)CC3)c1)CC2,IIGLJDYWATUARJ-UHFFFAOYSA-N
-rxn:2:140318:169623,Cc1cc(C)c(-c2ccc(C(C)NC3CCCCC3OS(C)(=O)=O)c3c2OCO3)c(C)c1,JNXVNNAYKBHNDL-UHFFFAOYSA-N
-rxn:2:140761:162907,C=C=Cc1ccc(C(C)NC(C)C(OC2CCCCC2C)c2cccnc2)c(-c2cc(=O)[nH]cc2OC)c1,YVSZSNNMCIIAIB-UHFFFAOYSA-N
-rxn:2:141270:143097,CC(C)Cn1c2c(cc(C(C)NC(C)c3cccc(-c4ccnc(N5CCN(C)CC5)c4)n3)c1=O)CCC2,UGABVYBJFYHTPH-UHFFFAOYSA-N
-rxn:2:141270:149971,CC(C)Cn1c2c(cc(C(C)NC(C)c3cc(-c4ccnc(N5CCN(C)CC5)c4)ccn3)c1=O)CCC2,GTKFFBIINONGCK-UHFFFAOYSA-N
-rxn:2:141355:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC(N(C)CC2CCCCC2)C(C)(C)C)cn1,NUCOCBTWSUSUIB-UHFFFAOYSA-N
-rxn:2:141916:152317,Cc1nc(CC(CC2CCCCC2)NC(C)c2ccc(OCc3ccccc3)c3c2=CCC(=O)N=3)cs1,DUQBKTVWIDHIEH-UHFFFAOYSA-N
-rxn:2:142064:140202,CC(NCC1(N2CCCN(C)CC2)CCSC1)c1ccc(OS(C)(=O)=O)cc1,NXFPOWVDCMNATJ-UHFFFAOYSA-N
-rxn:2:143480:120702,CC(C)C1C(F)(F)C12CCC(NC1(C(c3ccc4oc(=O)[nH]c4c3)N(C)C)CC1)CC2,CXPOBQQOWBZKRK-UHFFFAOYSA-N
-rxn:2:146204:119754,CCC1C(F)(F)C12CCC(Nc1ccc3c(c1)nc(C)n3C(C)CCN(C)C)CC2,OFCNWQJBXPPNPM-UHFFFAOYSA-N
-rxn:2:149169:120702,CC(C)C1C(F)(F)C12CCC(NCC(c1ccc3c(c1)ncn3C1CC1)N(C)C)CC2,FRRWMCJHYBRBAO-UHFFFAOYSA-N
-rxn:2:153668:120702,CC(C)C1C(F)(F)C12CCC(Nc1nc3ccccc3n1CC(C)(C)CN(C)C)CC2,DZXPLLNSYDYLDK-UHFFFAOYSA-N
-rxn:2:154760:120702,CC(C)C1C(F)(F)C12CCC(NC(C)(C)CN(C)Cc1ccc3[nH]c(=O)[nH]c3c1)CC2,HBECNLPKGXOMJV-UHFFFAOYSA-N
-rxn:2:155396:168087,CC(=O)c1ccc(C2C(CSC(C)Nc3n[nH]c4ccn(CC5CCCO5)c(=O)c34)C2(F)F)nc1,LZEJDLQVWCFBTI-UHFFFAOYSA-N
-rxn:2:156863:120702,CC(C)C1C(F)(F)C12CCC(NC(C)(C)C(c1ccc3[nH]c(=O)[nH]c3c1)N(C)C)CC2,LCKQPWAEMHKYCK-UHFFFAOYSA-N
-rxn:2:158045:160854,CCC(CC#Cc1cnc2c(ccn2C)n1)NC(C)c1cc2c(n(CCC(C)C)c1=O)CCN(C)C2,UKMKFSSJCHYMOC-UHFFFAOYSA-N
-rxn:2:159046:160431,COc1ccc([C@H](CC2CC2)NC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)c2ccccc12,IQLDZYIBUFTTPT-JWAPEYQUSA-N
-rxn:2:66244:127051,CC(C)Cn1cc(C(C)NCC2(N(C)C)CCC(C(C)(C)C)CC2)cn1,WTZRUAHKWVQSSW-UHFFFAOYSA-N
-rxn:2:66244:129701,CC(C)c1cccnc1C(C)NCC1(N(C)C)CCC(C(C)(C)C)CC1,VENYXRTZWDSHOO-UHFFFAOYSA-N
-rxn:2:66505:113527,CC(CC(c1ccc2c(c1)OCCO2)N(C)C)NCc1ccnc(N2CCC(N(C)C)CC2)n1,UOWZZOQYVRBZPA-UHFFFAOYSA-N
-rxn:2:66811:141212,CC(C)C(C)(CNC1CCC(F)(F)C2CCC12)N(C)C1CCCCCC1,OISGJGMWCUQMMF-UHFFFAOYSA-N
-rxn:2:66811:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC(C)(C(C)C)N(C)C2CCCCCC2)cn1,WGKOJEJDWKSRBX-UHFFFAOYSA-N
-rxn:2:67409:74005,CC(C)Cc1cc(C(C)NCCC2(N3CCN(C)CC3)CSC2)n(C)n1,WGWIGPYILSGXTE-UHFFFAOYSA-N
-rxn:2:67435:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)NC(c1ccccc1)C1(O[Si](C)(C)C)CCC1,QVSPHGHBONBFGT-UHFFFAOYSA-N
-rxn:2:67474:149248,CCC1C(F)(F)C12CCC(NC(C)c1c(/N=C/N(C)C)nc(C)nc1-c1ccccc1)CC2,URQYXRQYWORAMH-MUFRIFMGSA-N
-rxn:2:67474:149666,CCC1C(F)(F)C12CCC(NC(C)c1c(N=CN(C)C)nc(C)nc1-c1ccccc1)CC2,URQYXRQYWORAMH-UHFFFAOYSA-N
-rxn:2:69003:120702,CC(C)C1C(F)(F)C12CCC(NC(C)C(c1ccncc1)N(C)C1CC1)CC2,DSEHINJLDRLHCB-UHFFFAOYSA-N
-rxn:2:69057:109707,COC(CNC(C)c1c(C(C)C)cc(C(C)C)[nH]c1=O)CC1CC(F)(F)C1,LZIOOASYGRBVKW-UHFFFAOYSA-N
-rxn:2:69302:160854,CC(C)CCn1c2c(cc(C(C)NCc3nccnc3SCC(C)C)c1=O)CN(C)CC2,DLTDYSOBVXEIRM-UHFFFAOYSA-N
-rxn:2:69403:140202,CC(NCC1(N(C)C2CCOCC2)CCSC1)c1ccc(OS(C)(=O)=O)cc1,OTURQHFFJRAMTR-UHFFFAOYSA-N
-rxn:2:69901:120702,CC(C)C1C(F)(F)C12CCC(Nc1ccc3c(c1)ncn3CC(C)N(C)C)CC2,SINHOYDZNUQHQC-UHFFFAOYSA-N
-rxn:2:70969:119754,CCC1C(F)(F)C12CCC(Nc1ccncc1OC(C)(C)CN(C)C)CC2,OUILGODGCKSHRP-UHFFFAOYSA-N
-rxn:2:71309:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CCN(CC3CC3)CCO2)cn1,KRVOKNCDZSSDGA-UHFFFAOYSA-N
-rxn:2:71535:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(CCC(C)C)c1cccc(C)n1,FFOYYHQWQXKLQX-UHFFFAOYSA-N
-rxn:2:71564:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN(C2CCCCC2)C2CCN(C)C2)cn1,VFOWMFDIRINMAU-UHFFFAOYSA-N
-rxn:2:71853:160431,COc1cc([C@@H](NC2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)C2CC2)cc2c1OCO2,PRDFUZHISFVCPY-OWWUNANSSA-N
-rxn:2:71893:144936,COc1ccc(C(NC2CC3(C2)CC2(CC(F)(F)C2)C3)c2cnc(/N=C/N(C)C)s2)cc1,IZMJRDUKYUQNMV-RWPZCVJISA-N
-rxn:2:71893:151346,COc1ccc(C(NC2CC3(C2)CC2(CC(F)(F)C2)C3)c2cnc(N=CN(C)C)s2)cc1,IZMJRDUKYUQNMV-UHFFFAOYSA-N
-rxn:2:72606:120702,CC(C)C1C(F)(F)C12CCC(Nc1cc(C(C)(C)C)nn1CCN(C)C)CC2,HVVMWUCMUFWZOP-UHFFFAOYSA-N
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-rxn:2:72842:162907,C=C=Cc1ccc(C(C)NC(C)C(c2ccncc2)N(C)C2CCCCC2)c(-c2cc(=O)[nH]cc2OC)c1,OAGJFHYYDNGYCN-UHFFFAOYSA-N
-rxn:2:73233:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCCCN3C)nc2C2CCC2)cn1,JIZINPLXMIUHQP-UHFFFAOYSA-N
-rxn:2:74217:98244,CCC(CNC(C)SCCC#Cc1ccc(C(C)=O)nc1)(OC)C1CC1C,WKXLMXBNYPSGHF-UHFFFAOYSA-N
-rxn:2:74639:120702,CC(C)C1C(F)(F)C12CCC(NCC1(N(C)C3CCSC3)CCN(C)CC1)CC2,OGCQLIVEHLATJE-UHFFFAOYSA-N
-rxn:2:74771:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CN(c3ncc(C4CCC4)cn3)CCO2)cn1,NJZXRAALMAAZPN-UHFFFAOYSA-N
-rxn:2:74945:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NOCCC2CCCCN2C2CCCCC2)cn1,KKELOBRSDBVHDG-UHFFFAOYSA-N
-rxn:2:75013:105477,CC(Cc1ncn2c1CC(N(C)C)CC2)NC(C)c1cccc(C23CCN(C)CC2C3)c1,BHUSBBWNIZAPJV-UHFFFAOYSA-N
-rxn:2:75531:119754,CCC1C(F)(F)C12CCC(NC1(CCN(C)C(C)C)CCC1)CC2,LBRMVGRNYPQOTI-UHFFFAOYSA-N
-rxn:2:75867:115234,CC(C)COc1nn(C)cc1C(C)NCCC1(N(C)C)CCSCC1,CDBNBMJSXBZBFW-UHFFFAOYSA-N
-rxn:2:75920:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)n(C4CCCCC4)c(=O)[nH]3)C2(F)F)nc1,HGPQXAAYQZUBSI-UHFFFAOYSA-N
-rxn:2:75967:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC#Cc1ccc(OC(C)C)cc1,KMKXPHRVBHTGQT-UHFFFAOYSA-N
-rxn:2:76127:128171,Cc1cc(C(CSC(C)C)NCC2(N(C)C)CCN(C)CC2)c(C)[nH]1,RJQZVUVARAHGDT-UHFFFAOYSA-N
-rxn:2:76416:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC(C)CN2CCC(N3CCCCC3)CC2)cn1,VEPMQXXKGGOOOJ-UHFFFAOYSA-N
-rxn:2:76420:161548,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3CCCC3)C2(F)F)cc1,QGCYMQJCMIAIDS-UHFFFAOYSA-N
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-rxn:2:76532:166017,COC1CCOC2(CCN(CCCNC(C)c3cnc4ccc(-c5ccc6c(ccn6C)c5)nn34)CC2)C1,VZXGPLCQJOGPIE-UHFFFAOYSA-N
-rxn:2:76640:166041,COc1cc(OC)c2c(c1)OCC2NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,ROVIIFGRFGTRPE-UHFFFAOYSA-N
-rxn:2:76949:119754,CCC1C(F)(F)C12CCC(Nc1cc(CC(C)(C)C)nn1CCN(C)C)CC2,CGHZKDXQPXKQLV-UHFFFAOYSA-N
-rxn:2:76977:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCN(C3CCCN(C)C3)CC2)cn1,IMOJQAXKWDZVCP-UHFFFAOYSA-N
-rxn:2:77164:166041,COc1ccc(OCC2CCCCC2)cc1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,YGEDPEHSOOVTPK-UHFFFAOYSA-N
-rxn:2:77628:120702,CC(C)C1C(F)(F)C12CCC(NCC(c1cccnc1)N(C)C1CCCN(C)C1)CC2,LQNCPJROECGZPO-UHFFFAOYSA-N
-rxn:2:77814:166041,COc1ccc(NC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)c(OCC2CCCCC2)c1,KRDZXBGYJPNSRN-UHFFFAOYSA-N
-rxn:2:77895:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC(C(C)C)C2(C3CCN(C)CC3)COC2)cn1,QZKJVAYLTMPTAX-UHFFFAOYSA-N
-rxn:2:78262:164678,COc1cc(OC)c2c(c1)C(NC1CCC(OS(=O)(=O)c3ccc(C)cc3)CC1)CCO2,KGAPQLCDBALCPY-UHFFFAOYSA-N
-rxn:2:78262:166041,COc1cc(OC)c2c(c1)C(NC1CCC(COS(=O)(=O)c3ccc(C)cc3)CC1)CCO2,VZGNPWMGIQMUEP-UHFFFAOYSA-N
-rxn:2:79287:120702,CC(C)C1C(F)(F)C12CCC(NCC(C)(C1CC1)N(C)C1CCOCC1)CC2,WWZBZQKKXWHCCM-UHFFFAOYSA-N
-rxn:2:79761:166041,COc1cc2c(cc1OC)C(NC1CCC(COS(=O)(=O)c3ccc(C)cc3)CC1)CCCC2,IKAHGWSCBXTYSG-UHFFFAOYSA-N
-rxn:2:79987:166041,COc1ccc(CNC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)cc1OC1CCCCC1,NTHLIGFFBBMLIL-UHFFFAOYSA-N
-rxn:2:80476:119754,CCC1C(F)(F)C12CCC(NC1CN(CCCN(C)C)C(C)(C)C1)CC2,JYPDUQACVYOGOZ-UHFFFAOYSA-N
-rxn:2:82298:115234,CC(C)c1cc(C(C)NCCC2(N(C)C)CCSCC2)n(C(C)C)n1,QGCNBQDNLSXVQQ-UHFFFAOYSA-N
-rxn:2:82778:140202,CC(NC(C)C1(C2CCCN(C)C2)COC1)c1ccc(OS(C)(=O)=O)cc1,MDVMMKAYJOUMLF-UHFFFAOYSA-N
-rxn:2:82830:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NOCC2CCN(CC3CCCO3)C2)cn1,AYPWVLZWYMAXLI-UHFFFAOYSA-N
-rxn:2:83028:151866,CC(C)COc1ccccc1-c1cccc(C(C)NC(C)CN2CCC(N(C)C)CC2)n1,YJPBHKUHUWGTPF-UHFFFAOYSA-N
-rxn:2:83107:166041,COc1cc2c(cc1C)OCC[C@@H]2NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,MQWXLNDSVAANLX-XPJNUEMQSA-N
-rxn:2:83467:166041,COc1cccc(OC2CCOC2)c1NC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1,MUNLBZDZGPDJRV-UHFFFAOYSA-N
-rxn:2:84138:112579,CC(C)CN(c1ncc(C(C)NCCN=S2(=O)CCCC2)s1)C1CC1,MJWURTHFDSSPKR-UHFFFAOYSA-N
-rxn:2:85028:128171,CCn1cc(C(CCC(C)C)NCC2(N(C)C)CCN(C)CC2)cn1,KWOGPAZCHCWHGU-UHFFFAOYSA-N
-rxn:2:85127:161548,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3CCSCC3)C2(F)F)cc1,DHAMKDFOLIUHBH-UHFFFAOYSA-N
-rxn:2:86279:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCCN2CCCC(N(C)C3CC3)C2)cn1,YGSLLOHBHWKPGJ-UHFFFAOYSA-N
-rxn:2:86329:120702,CC(C)C1C(F)(F)C12CCC(NCCN(C)C1CCN(C)C1)CC2,DXDZYDVEZKLHAH-UHFFFAOYSA-N
-rxn:2:86426:164678,COc1cc2c(cc1OC)C(NC1CCC(OS(=O)(=O)c3ccc(C)cc3)CC1)CCO2,OSKTUHRCTKVWTE-UHFFFAOYSA-N
-rxn:2:87746:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC(c1ccc(OC)c(C(C)C)c1)C(C)C,YTDIFOQBZBFLDB-UHFFFAOYSA-N
-rxn:2:88242:119754,CCC1C(F)(F)C12CCC(NCC(C)(C)CN(C)C1CCCCC1C)CC2,ZHCJMBCMRUFJAU-UHFFFAOYSA-N
-rxn:2:88556:159358,CC[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](NC(c2ccccn2)c2ccc(OC)cc2OC)C1,YHIXITVULPWLLK-MTYRRWTFSA-N
-rxn:2:88556:163403,CC[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](NC(c2ccccn2)C2CC2c2ccc(OC)cc2)C1,QRVLPCYXSKTXAW-UZURLZLSSA-N
-rxn:2:88772:120702,CC(C)C1C(F)(F)C12CCC(NCC(C)(C)N1CCCC(N(C)C3CC3)C1)CC2,DVOKYAOTBHFMIU-UHFFFAOYSA-N
-rxn:2:88833:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCC2CN(c3cc(C4CCOCC4)ncn3)C2)cn1,UOWSNEIMSVZDEP-UHFFFAOYSA-N
-rxn:2:89752:149248,CCCC1(NC(C)c2c(/N=C/N(C)C)nc(C)nc2-c2ccccc2)CCC(F)(F)CC1,RBNKVSCGNHTSOV-OGLMXYFKSA-N
-rxn:2:89752:149666,CCCC1(NC(C)c2c(N=CN(C)C)nc(C)nc2-c2ccccc2)CCC(F)(F)CC1,RBNKVSCGNHTSOV-UHFFFAOYSA-N
-rxn:2:90023:168769,CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCC1(c2ccccc2)CC[Si](C)(C)CC1,IIFXQPGFMDMHLF-UHFFFAOYSA-N
-rxn:2:90262:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3CCCCC3)C2(F)F)nc1,KNKANMYOUVROEJ-UHFFFAOYSA-N
-rxn:2:90373:152258,CCC(NCC1(N(C)C)CN(C)c2ccc(OC)cc21)c1cccc(-c2cnc(N3CCOCC3)nc2)c1,MQJBDZLDQIOGKN-UHFFFAOYSA-N
-rxn:2:91083:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3Nc2c(C)cc(N(C)C3CCCCCC3)nc2C)cn1,RTXOMPUPMVKARW-UHFFFAOYSA-N
-rxn:2:91802:120702,CC(C)C1C(F)(F)C12CCC(Nc1nccc(OCCN(C)C)n1)CC2,LJZUGVQZASZOEM-UHFFFAOYSA-N
-rxn:2:92057:147728,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3CCOC3)C2(F)F)cn1,RDFBCVGSAPLQRH-UHFFFAOYSA-N
-rxn:2:92057:161548,CC(=O)c1ccc(C2C(CSC(C)Nc3cc(=O)[nH]n3C(C)C3CCOC3)C2(F)F)cc1,XNFFKOHEPNXTLY-UHFFFAOYSA-N
-rxn:2:92091:127862,CC(C)C(C)N(C)CC(NCC1(N(C)C)CCCSC1)c1ccc[nH]1,TWCIKUVIIXDLRP-UHFFFAOYSA-N
-rxn:2:92325:140202,CC(NCC(C1CCCCC1)N(C)C1CCSC1)c1ccc(OS(C)(=O)=O)cc1,RNSNVRIXLNDDGM-UHFFFAOYSA-N
-rxn:2:94656:95209,CC(C1CC1)N(C)C1(CNC2CCC(F)(C(C)C)CC2)CCSC1,ZLXVTHJRUHKGPH-UHFFFAOYSA-N
-rxn:2:94687:146538,CCC1(C)OC(C)(CC)C1NC(c1ccc(OC)cc1)c1c[nH]c(C(=O)N=CN(C)C)c1,PJNBSOMHJNAZNB-UHFFFAOYSA-N
-rxn:2:94687:150884,CCC1(C)OC(C)(CC)C1NC(c1ccc(OC)cc1)c1c[nH]c(C(=O)/N=C/N(C)C)c1,PJNBSOMHJNAZNB-JVWAILMASA-N
-rxn:2:96102:120702,CC(C)C1C(F)(F)C12CCC(NCCCc1nc3c(n1C)CCC(N(C)C)C3)CC2,IMJDHKZTDNFYHX-UHFFFAOYSA-N
-rxn:2:96156:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCCN(c3cc(C4CCOC4)ncn3)C2)cn1,ONJXJOSTASAMCS-UHFFFAOYSA-N
-rxn:2:97345:151487,CC(C)Cn1c2c(cc(CNC(C)c3sccc3-c3cnc(N4CCOCC4)nc3)c1=O)CN(C)CC2,INWKJBYTMKHYTE-UHFFFAOYSA-N
-rxn:2:98598:120702,CC(C)C1C(F)(F)C12CCC(Nc1cncc(OC(C)(C)CN(C)C)c1)CC2,VYRLQKZKXWSJME-UHFFFAOYSA-N
-rxn:2:98768:134614,CCC(NC(C)C(c1cccc(C)c1)N(C)OC)C1CCCN1C(C)C1CC1,QTXMFQXTCYHMLL-UHFFFAOYSA-N
-rxn:2:98869:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)N[C@H](c1cccc(OC)c1C)C(C)C,BEWHPAJIIWIPAE-BBMPLOMVSA-N
-rxn:2:98962:119754,CCC1C(F)(F)C12CCC(Nc1cn(CCN(C)C)nc1OC)CC2,KTYNRSCOWORGGJ-UHFFFAOYSA-N
-rxn:2:99144:120702,CC(C)C1C(F)(F)C12CCC(NCC(C)(C)Oc1ccnn1C)CC2,JKJQJPFLOORLRL-UHFFFAOYSA-N
-rxn:2:99263:120702,CC(C)C1C(F)(F)C12CCC(NCCN(C)C1CCCN(C)C1)CC2,GFHZZAVLNYKVFE-UHFFFAOYSA-N
-rxn:2:99462:160854,CC(C)CCn1c2c(cc(C(C)NCC(c3cnn(C)c3)N(C)C)c1=O)CN(C)CC2,JZSACFAZOSFNQD-UHFFFAOYSA-N
-rxn:2:99751:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NCc2cn(C3CCCC3)nc2CC2CCC2)cn1,JZQWCNCPLNXBDI-UHFFFAOYSA-N
-rxn:3:1068:44414:111610,CCc1nc(-c2cn(CCC#Cc3cnc(C(=O)NC4(COS(=O)(=O)[O-])CCCC4)nc3)nn2)cs1,DILPFNHWNXXYFK-UHFFFAOYSA-M
-rxn:3:12049:55763:92547,CN(C)C1(c2cn(CC3CC3c3cnc(C(=O)Nc4ccc(OS(=O)(=O)F)cc4)nc3)nn2)CCCCC1,SFTAVMRIFHLNIW-UHFFFAOYSA-N
-rxn:3:1258:60580:103121,C=CC[C@@H](C(=O)N[C@H](c1cc(OC)c2c(c1)OCO2)C1CCCC1)n1cc(-c2c(F)cncc2F)nn1,DFQNBECCIVYQSO-RDPSFJRHSA-N
-rxn:3:1258:60582:103121,C=CC[C@H](C(=O)N[C@H](c1cc(OC)c2c(c1)OCO2)C1CCCC1)n1cc(-c2c(F)cncc2F)nn1,DFQNBECCIVYQSO-YKSBVNFPSA-N
-rxn:3:13955:49937:83167,CCCC(C)c1cn(CC2C(c3cn[nH]c3C(=O)Nc3cccc(C4(OC)CCC4)c3)C2(F)F)nn1,ZVFJQOBCMDTFDW-UHFFFAOYSA-N
-rxn:3:13955:49937:86183,CCCC(C)c1cn(CC2C(c3cn[nH]c3C(=O)Nc3ccc(C4(OC)CCC4)cc3)C2(F)F)nn1,DLXVIPZNCKXFMB-UHFFFAOYSA-N
-rxn:3:1533:42679:92433,C[Si](C)(C)CCONC(=O)c1cncc(C#CCn2cc(C3CCC(F)(F)CC3)nn2)c1,HOEYLCQBPCPKIT-UHFFFAOYSA-N
-rxn:3:1533:42680:92433,C[Si](C)(C)CCONC(=O)c1ccc(C#CCn2cc(C3CCC(F)(F)CC3)nn2)cn1,RKENDCYVUFLKTP-UHFFFAOYSA-N
-rxn:3:1533:42681:92433,C[Si](C)(C)CCONC(=O)c1ncccc1C#CCn1cc(C2CCC(F)(F)CC2)nn1,SDHLOXNYYYTVSQ-UHFFFAOYSA-N
-rxn:3:1533:42685:92433,C[Si](C)(C)CCONC(=O)c1ccc(C#CCn2cc(C3CCC(F)(F)CC3)nn2)nc1,ZMYMVIMQOMXCHA-UHFFFAOYSA-N
-rxn:3:16780:64961:151955,Cc1c(-c2cn(CC3CC(=O)N(c4ncc(C(=O)Nc5ccc6ccc(OS(=O)(=O)F)cc6c5)cn4)C3)nn2)cnn1C1CCCSC1,PIGIORNXWHNOSF-UHFFFAOYSA-N
-rxn:3:17876:59852:151783,O=C(Nc1ccc(OS(=O)(=O)F)c2ccccc12)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4nccn4C4CCCC4)nn3)C2)CCO1,NKMRIPKHKAPEBK-TYOLSPRKSA-N
-rxn:3:18593:59842:151955,O=C(Nc1ccc2ccc(OS(=O)(=O)F)cc2c1)[C@H]1CC=C[C@H](n2cc(-c3nn(C4CCSCC4)cc3C3CCC3)nn2)C1,NCQGTTYAQCZIBZ-NVQXNPDNSA-N
-rxn:3:21289:44516:96700,C[Si](C)(C)c1cn(CCC#Cc2cccc(C(=O)NC3CC4(C3)CC(F)(F)C4)n2)nn1,RSMHHTMHJFNRBV-UHFFFAOYSA-N
-rxn:3:21289:44520:127345,C[Si](C)(C)c1cn(CCC#Cc2ccnc(C(=O)NCCCC3CCC(F)(F)CC3)c2)nn1,QSOVNNMUSJMBBL-UHFFFAOYSA-N
-rxn:3:21289:44520:96700,C[Si](C)(C)c1cn(CCC#Cc2ccnc(C(=O)NC3CC4(C3)CC(F)(F)C4)c2)nn1,GFNJJOXBSQDITJ-UHFFFAOYSA-N
-rxn:3:22938:51042:86312,CCc1ccnc(-c2cn(CC3C(c4ccc(OC)c(C(=O)NC(C)C5(C)COCOC5)c4)C3(F)F)nn2)c1,WCQUGQUWLOWAKS-UHFFFAOYSA-N
-rxn:3:23033:59958:92547,CCN1CCN(Cc2ccc(-c3cn([C@@H]4CCC[C@@H](C(=O)Nc5ccc(OS(=O)(=O)F)cc5)C4)nn3)cc2)CC1,YQZUVQWJBYDQKP-ILBGXUMGSA-N
-rxn:3:23348:44820:105418,CCC(C)c1cn(CCC#Cc2cnc(F)c(C(=O)N[C@@H](c3ccc(OC)c(OC)c3)C3CC3)c2)nn1,LHYRDGMAHXFQMN-WQGFSJIWSA-N
-rxn:3:23816:47746:140558,CS(=O)(=O)[C@@H]1CCC[C@H]1NC(=O)c1cn(C2CC2)c2c(F)c(-n3cc(C4(n5ccnn5)CCC4)nn3)c(F)cc2c1=O,PRQRBSYZGTVOIC-WOJBJXKFSA-N
-rxn:3:23816:47746:98846,CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cn(C2CC2)c2c(F)c(-n3cc(C4(n5ccnn5)CCC4)nn3)c(F)cc2c1=O,ZBNXENVDOPVPFM-NHCUHLMSSA-N
-rxn:3:23826:59937:85571,CCc1cc(OS(=O)(=O)F)ccc1NC(=O)C12CCC(n3cc(C4(n5ccnc5)CCC4)nn3)C1C2,KXKACUDCAMPMJP-UHFFFAOYSA-N
-rxn:3:23829:47746:140558,CS(=O)(=O)[C@@H]1CCC[C@H]1NC(=O)c1cn(C2CC2)c2c(F)c(-n3cc(C4(n5ccnc5)CCSCC4)nn3)c(F)cc2c1=O,LBYOEYLYSDOSMD-FGZHOGPDSA-N
-rxn:3:23873:59937:129999,CN1CCC[C@H]1c1cncc(-c2cn(C3CCC4(C(=O)Nc5ccccc5OS(=O)(=O)F)CC34)nn2)c1,AKGRXZQMZBSTFP-SSUFJVOKSA-N
-rxn:3:23873:59937:92547,CN1CCC[C@H]1c1cncc(-c2cn(C3CCC4(C(=O)Nc5ccc(OS(=O)(=O)F)cc5)CC34)nn2)c1,IAPSXFLDWFBRHR-YTTQPBQQSA-N
-rxn:3:27942:47746:91267,CN(C)c1ccncc1-c1cn(-c2c(F)cc3c(=O)c(C(=O)N[C@@H]4C[C@H]4C4CCCCC4)cn(C4CC4)c3c2F)nn1,GUHVRTZJSCLMHY-YADARESESA-N
-rxn:3:28437:60054:99561,CCOC1(CNC(=O)C23CC(Cn4cc(C(C)Sc5nncs5)nn4)(C2)C3)CS(=O)(=O)C1,POFSRHKQEDBKIP-UHFFFAOYSA-N
-rxn:3:28705:59852:121343,Cc1sc(S(=O)(=O)F)cc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccnc4N4CCC4)nn3)C2)CCO1,FGXRDOLIRFPLJT-SCCQQYQZSA-N
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-rxn:3:54100:5864:68017,CN(C)c1ccnc2ccc(-c3cn(CCC4C(c5cnc(C(=O)N[C@H]6C[C@]7(CCCO7)C6)nc5)C4(F)F)nn3)cc12,JCTSNFBTRXFTJQ-OYMLISAGSA-N
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-rxn:3:59852:11707:65938,C=CCn1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5COCCS(=O)(=O)C5)C4)C3)nn2)cn1,VTXBGAVOPIJRBQ-VIXZBYKASA-N
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-rxn:3:59852:1920:70016,CSc1ncnc2c(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCCOC6CCS(=O)(=O)CC6)C5)C4)nn3)csc12,ASSPXMVMDSLOQQ-SCCQQYQZSA-N
-rxn:3:59852:3197:70016,Cn1ccc2ccc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCCOC6CCS(=O)(=O)CC6)C5)C4)nn3)cc21,KWJWOCQSPQHWKU-KDKXARBFSA-N
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-rxn:3:59852:5102:69859,N#Cc1cn(Cc2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)N[C@H]5CC[Se]C5)C4)C3)nn2)c2ccc(F)cc12,ZFPUWIYTEUAQTQ-WBIMGWQDSA-N
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-rxn:3:59852:6822:66355,N#Cc1cn(Cc2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)C4)C3)nn2)nc1-c1ccsc1,PANXEZMNWAOSHJ-XEEHWLSFSA-N
-rxn:3:59852:6824:66355,N#Cc1cn(Cc2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC6(CC5)CS(=O)(=O)C6)C4)C3)nn2)nc1-c1cnccn1,DFQDCQPPQUKRKT-OLOKFMAESA-N
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-rxn:3:59852:7690:65938,CSc1cccc2sc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NCC6COCCS(=O)(=O)C6)C5)C4)nn3)nc12,RAUUCAWFYRQRLD-QHCGNWPDSA-N
-rxn:3:59852:9309:70016,CCn1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCCOC5CCS(=O)(=O)CC5)C4)C3)nn2)cn1,DUPRTKBGJKYXOZ-MRBOTJLVSA-N
-rxn:3:60078:33027:116862,Cc1sc2ncnc(SCc3cn(CCn4ccn5nc(C(=O)NCC6(S(C)(=O)=O)CCCCCC6)cc45)nn3)c2c1C,NHOMLAVZNJMHSX-UHFFFAOYSA-N
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-rxn:3:60588:28143:66394,CC(C)C[C@H](C(=O)NC(C)C1CC1(F)F)n1cc([C@H]2CC[C@@H](N(C)C)CC2)nn1,ULMJVQNFPYXOFJ-NEJPUZRRSA-N
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-rxn:1:49472:16710,COc1cc(-n2ncc(-c3cn(C4CCN(S(=O)(=O)c5ccc(F)cc5C)CC4)nn3)c2CC2CCCC2)ccc1C,GANGMHYPXFSXCT-UHFFFAOYSA-N
-rxn:1:49472:17208,COc1cc(-c2cn(C3CCN(S(=O)(=O)c4ccc(F)cc4C)CC3)nn2)ccc1-n1nc(CN)cc1C1CCCCC1,KBDKGHYVYWOUMS-UHFFFAOYSA-N
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-rxn:1:49472:21293,COc1ccc(F)c(Cn2nc(C3CCCCC3)cc2-c2cn(C3CCN(S(=O)(=O)c4ccc(F)cc4C)CC3)nn2)c1,IYCFOHVJCMRHLX-UHFFFAOYSA-N
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-rxn:1:51219:5000,CCN1CCC2(CC1)CN(Cc1cn(CCOS(=O)(=O)c3ccc(C)cc3)nn1)c1ccc(F)cc1N2,ZBIKRQKZFVFXHJ-UHFFFAOYSA-N
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-rxn:1:54274:26067,O=C1CC(c2cn(CCC3C(c4ccnc5[nH]ccc45)C3(F)F)nn2)CN1CCOS(=O)(=O)O,JYUFKDJQSQHVID-UHFFFAOYSA-N
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-rxn:1:57565:29059,CC(c1cn(CCCc2nc([N+](=O)[O-])c[nH]2)nn1)n1cc(C=C(F)B2OC(C)(C)C(C)(C)O2)cn1,LTCQTQGNCUMOOW-UHFFFAOYSA-N
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-rxn:1:59769:8315,CCc1nccn1-c1nccnc1C1CCN(C(=O)c2cn(C3CCCN(S(=O)(=O)Cc4ccccc4F)C3)nn2)CC1,TWYZYSBJCJMHMJ-UHFFFAOYSA-N
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-rxn:4:173910:223885,COC(=O)C(C(=O)OC)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1,AYVUTWDVHCMYLC-UHFFFAOYSA-N
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-rxn:4:173943:223573,CCCCCOc1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,VKJLKTPRHZBIEY-UHFFFAOYSA-N
-rxn:4:174009:224377,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1,TZVGPJDFJUZFID-UHFFFAOYSA-N
-rxn:4:174061:223899,COC(=O)c1cc(OCC2CC2)cc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2OC)c1,VVJTVUOWUARUBB-UHFFFAOYSA-N
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-rxn:4:174528:222545,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,HMPPVBVCUPJFDJ-UHFFFAOYSA-N
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-rxn:4:174940:223827,CCOC(=O)c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)ccc2N2CCN(CC)CC2)c1F,HHZQJZUMRDNVAF-UHFFFAOYSA-N
-rxn:4:174941:224060,CCOC(=O)c1c(F)ccc(C(F)(F)F)c1-c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1,HIOMEDYCNWTZCU-UHFFFAOYSA-N
-rxn:4:175161:223504,CC(=O)COC(=O)c1ccc(C)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,KEWJCNGWWIJZFD-UHFFFAOYSA-N
-rxn:4:175237:223559,CC(=O)CC(C)Sc1ccccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,AINHGKLPOPCZMN-UHFFFAOYSA-N
-rxn:4:175239:223506,COc1ccc(CCC(C)=O)cc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,IXXPWKIHYKQOAH-UHFFFAOYSA-N
-rxn:4:175307:223748,CCC(=O)c1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c(OC)cc1OC,FLLGFBMTFVUXLC-UHFFFAOYSA-N
-rxn:4:175369:223659,CCOC(=O)/C(C)=C/c1c(F)cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,FIJPQYLNAARRME-GZTJUZNOSA-N
-rxn:4:175741:224008,C[Si](C)(C)C(F)(F)C(F)(F)Oc1ccccc1-c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,FENOZALOMYTBRU-UHFFFAOYSA-N
-rxn:4:175794:223527,COC(=O)c1ccc(-c2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cc1,MZZWTTIISYDSJF-UHFFFAOYSA-N
-rxn:4:175988:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2c(OCC3CCCCC3)cccc2C(F)F)cc1,MCLZQULYRZNHDT-UHFFFAOYSA-N
-rxn:4:176168:223740,CC(C)[Si](c1c(F)cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc3ccccc23)cc1F)(C(C)C)C(C)C,IPSIMESWDDTZGV-UHFFFAOYSA-N
-rxn:4:176168:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cc(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2)c1,OEKMVJGFHJMFCM-UHFFFAOYSA-N
-rxn:4:176168:225110,CC(C)[Si](c1c(F)cc(-c2ccc(OC(=O)OC(C)(C)C)cc2)cc1F)(C(C)C)C(C)C,LKEVVRQMRLRFJX-UHFFFAOYSA-N
-rxn:4:176262:222447,COc1ccc2c(c1-c1cccc(C=C3Oc4cc(OC(=O)C(C)C)ccc4C3=O)c1)N=C(NC(=O)OC(C)(C)C)C2,XTLIRNPQZJHLCF-UHFFFAOYSA-N
-rxn:4:176279:222537,Cc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)cc4)ccc3C2=O)o1,AQRHTONWFMIYRC-UHFFFAOYSA-N
-rxn:4:176279:222538,Cc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(C6CCCC6)nc(C6CCNCC6)c5)cc4)ccc3C2=O)o1,COKRSYVMRURMIY-UHFFFAOYSA-N
-rxn:4:176279:222628,Cc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)cc4)ccc3C2=O)o1,LWLDKYIRNFQLCY-UHFFFAOYSA-N
-rxn:4:176307:224189,COc1cc(-c2cccc(C=C3Oc4cc(OC(=O)C5CCCCC5)ccc4C3=O)c2)ccc1O[Si](C)(C)C(C)(C)C,XUKUYQVPQNEVGV-UHFFFAOYSA-N
-rxn:4:176322:223783,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cccc3ccn(S(=O)(=O)c4ccccc4)c23)C(C)(C)CC1(CC)CC,ZCPXVHPAZCVUSX-UHFFFAOYSA-N
-rxn:4:176322:226257,CCCCOc1ccc(F)cc1-c1c2c(cc3c1C(C)(C)CC3(CC)CC)C(CC)(CC)CC2(C)C,MDABWTBLXUTFIQ-UHFFFAOYSA-N
-rxn:4:176322:228018,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cc(F)cc(C3CC3)c2)C(C)(C)CC1(CC)CC,FFSIRTJJZCAVQX-UHFFFAOYSA-N
-rxn:4:176419:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C(F)(F)F)ccc3OC(F)F)c2Cl)CC1,OTDBLXIWYGADOH-UHFFFAOYSA-N
-rxn:4:176527:223521,C#Cc1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1OCC,ZMAJICVQJYEYGU-UHFFFAOYSA-N
-rxn:4:176881:223559,COC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(F)c1OC,LJSYFDZUTHUZTL-UHFFFAOYSA-N
-rxn:4:177208:223648,CC(C)OC(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1F,JRBHRJYRWRRYFK-UHFFFAOYSA-N
-rxn:4:177335:223481,COC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c(OC)c1C,CIKNPFSTYNAJSR-UHFFFAOYSA-N
-rxn:4:177857:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C(=O)OC)cc(C3(C)CC3(F)F)c2)c1,VXCJONICLFNTNO-UHFFFAOYSA-N
-rxn:4:178134:222426,CCc1ccc(C(=O)c2ccccc2-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cc1,NJRYWDYUMACSCW-UHFFFAOYSA-N
-rxn:4:178159:223520,Cc1cc(OCC(C)C)cc(C)c1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,RHWSAZDLVSXNGZ-UHFFFAOYSA-N
-rxn:4:178292:223559,COC(=O)C1(c2cccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)CCC(=O)CC1,NAEGFUBAUWRCOY-UHFFFAOYSA-N
-rxn:4:178292:224431,COC(=O)C1(c2cccc(-c3c(C)cccc3CN(C(C)C)C(C)C)c2)CCC(=O)CC1,DTVNXAJFKYSWQA-UHFFFAOYSA-N
-rxn:4:178381:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc1,DUXDWEHQEMFYTK-FQEVSTJZSA-N
-rxn:4:178384:226257,CCCCOc1ccc(F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,ZBOJFFSNCQYBIL-UHFFFAOYSA-N
-rxn:4:178384:227262,CCCOc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,BTIACHROGOYQQX-UHFFFAOYSA-N
-rxn:4:178384:227534,CCOc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1,TUFNDQQJRNUQPT-UHFFFAOYSA-N
-rxn:4:178384:228161,CCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1,YYWUMJZIRIFDRN-UHFFFAOYSA-N
-rxn:4:178384:228440,COc1cc(Cl)c(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,INVFQOQZLPWZIP-UHFFFAOYSA-N
-rxn:4:178384:228606,CCc1ccc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,WEQNGQUNUBEVMC-UHFFFAOYSA-N
-rxn:4:178384:229114,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)cn1,IONQMTMBVAZQRS-UHFFFAOYSA-N
-rxn:4:178497:222598,COc1ccc(-c2cc(C)c(S(=O)(=O)NC3CCCC3)c(C)c2)cc1S(=O)(=O)C12CC(C1)C2,QCVBKRPCEGBDPO-UHFFFAOYSA-N
-rxn:4:178588:224992,CC(C)(C)[Si](C)(C)OC1CCc2cc(-c3ccccc3CN3CCC(=O)CC3)ccc2C1,KSZKWARYZNJABX-UHFFFAOYSA-N
-rxn:4:178597:225974,Cc1nnc(-c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cc2F)o1,JMMSYBMEKBTMNZ-UHFFFAOYSA-N
-rxn:4:178597:227841,Cc1cc(C)c(C)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1C,XTTKMLYDJZDPFX-UHFFFAOYSA-N
-rxn:4:178597:229291,Cc1csc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,GIGJPEQGBMRERU-UHFFFAOYSA-N
-rxn:4:178728:223493,C#Cc1ccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c(C(F)(F)F)c1,QZGYJZMREYDFHJ-UHFFFAOYSA-N
-rxn:4:178731:223531,C#Cc1cc(C(F)(F)F)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,ZJZYRBGOWANSCW-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:4:180344:222602,CC(C)Cc1cc(-c2ccc(OC3CCCCC3)c(F)c2)c(S(=O)(=O)NC(C)(C)C)s1,YIVWBYKNFYOYPT-UHFFFAOYSA-N
-rxn:4:180488:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(C4CC4)c(C4CCCOC4)c3)cnc2C1,MSPLEDXVJXDCAV-UHFFFAOYSA-N
-rxn:4:180611:223753,Cc1ccc(-c2ccc3c(c2)C(=O)C(C(=O)C(F)(F)F)C3)cc1OCCCN1CCN(C)CC1,RVGFQQGHYDPXEQ-UHFFFAOYSA-N
-rxn:4:180855:223900,CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c4)cc31)c1cc(C(C)(C)C)ccc1-2,JYMSKGIYVVRXRN-UHFFFAOYSA-N
-rxn:4:180856:223957,CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(-c3cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c3)cccc21,YDIJECZGYIEVNO-UHFFFAOYSA-N
-rxn:4:180943:223490,Cc1ccc(-c2ccc(Cl)cc2C(F)F)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,APXNDBORNXDTST-UHFFFAOYSA-N
-rxn:4:181463:223500,CSc1c(F)ccc(C)c1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,PXAFCENMADTNSQ-UHFFFAOYSA-N
-rxn:4:182215:223597,COc1cc2c(c(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c1)C(=O)CC2,PXWJTXGEHQNUEB-UHFFFAOYSA-N
-rxn:4:182237:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(C4CO4)cc4c3OCCO4)ccc2OC)CC1,GMHGVCUNXBRUJL-UHFFFAOYSA-N
-rxn:4:182359:224835,COC1CCC2(CC1)Oc1ccc(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)cc1C2=O,OBLRUVVEJDBSCU-UHFFFAOYSA-N
-rxn:4:182367:224702,Cc1c(-c2ccc3c(c2)C(=O)C2(CCC(C(F)F)CC2)C3)cc(F)c(OC2CCCC2)c1F,XEPPVVVGGXLYOK-UHFFFAOYSA-N
-rxn:4:182375:224798,CC(C)Oc1ccc(OC(F)(F)F)cc1-c1ccc2c(c1)C(=O)CC(C1COCC(C)(C)C1)O2,KAQUXINHPKDFMJ-UHFFFAOYSA-N
-rxn:4:182376:225011,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(C5(C#N)CCCC5)c4F)cc3C2=O)C[C@@H]1C,QPIYRWFOZDIWIM-XEOOPNKDSA-N
-rxn:4:183212:222447,COc1ccc2c(c1-c1ccc3c(c1)OCC(C)(C)C3=O)N=C(NC(=O)OC(C)(C)C)C2,SDAZFDCJFBDLNB-UHFFFAOYSA-N
-rxn:4:183216:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(Cl)c3c(c2)C(=O)CC(C)(C)O3)c(C(F)(F)F)c1,BLQYCHOFOBIPGZ-UHFFFAOYSA-N
-rxn:4:183274:225771,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)c1OC(C)C,JIYWFSBDLUNPNJ-UHFFFAOYSA-N
-rxn:4:183274:228800,CSc1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,UAFBCXJJXZVZJO-UHFFFAOYSA-N
-rxn:4:183274:229079,c1cc2c(cc1-c1csc(C3CC3)n1)OCCOCCOCCOCCOCCOCCOCCO2,XLPKCNYJZSVRQD-UHFFFAOYSA-N
-rxn:4:183274:229192,Fc1cc(Cl)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,CLXCMCQSJYXFAT-UHFFFAOYSA-N
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-rxn:4:183526:223712,CCOC(=O)Cc1cc(C(F)(F)F)cc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1C#N,JEAAPODRXHPJRA-UHFFFAOYSA-N
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-rxn:4:184582:223575,CCOC(=O)c1c(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc(OC)c1C#N,PQGRLGCVTQRVJA-UHFFFAOYSA-N
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-rxn:4:184882:223031,CCNC(=O)c1ccc(-c2ccc(CC(=O)N3CCCC3)c(OC(F)(F)F)c2)c(OC)c1,JNVITFGEGQWULA-UHFFFAOYSA-N
-rxn:4:184889:224716,COC(=O)C1CN(Cc2ccc(-c3ccc(N(C)C(=O)OC(C)(C)C)nc3)cc2C(F)(F)F)C1,IJHZCNSKTPADND-UHFFFAOYSA-N
-rxn:4:184894:225227,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3cnc(N4CCC(C)CC4)c(Cl)c3)c2)SC1=S,GXOHIWUVEQPPLR-UHFFFAOYSA-N
-rxn:4:184984:223541,CC(C)Sc1ncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1C(=O)OC(C)(C)C,HUMFYPBBVJLMMH-UHFFFAOYSA-N
-rxn:4:185021:224666,CN1CCN(Cc2cc(-c3ccc(OCCCN4CCCCC4)c(F)c3)ccc2F)CC1,HPCDGOGZWYWRDC-UHFFFAOYSA-N
-rxn:4:185091:224688,Cc1ccc(-c2ccc(CN3CCC(=O)CC3)c(Cl)c2)cc1OCCCN1CCOCC1,HABWIMLZAAAVFD-UHFFFAOYSA-N
-rxn:4:185117:223538,O=C(CS(=O)(=O)c1cccc(-c2ccnc3c2cc(C(F)F)n3S(=O)(=O)c2ccccc2)c1)N1CCCC(C(F)(F)F)C1,RTKDGVUKKLOXMK-UHFFFAOYSA-N
-rxn:4:185130:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cccc(CC3CN(C(=O)OC(C)(C)C)C3)c2)c1,MOWSGJKXTBTJOL-IBGZPJMESA-N
-rxn:4:185131:224842,COc1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1S(=O)(=O)N(C(C)C)C(C)C,UDHTVSSHUHLETI-UHFFFAOYSA-N
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-rxn:4:185163:223183,CNS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)c(C)c1,HEVIXQQLWQJZOP-UHFFFAOYSA-N
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-rxn:4:185177:225311,O=C(c1ccc(Cl)cc1)N(Cc1ccc(-c2cc(C(F)(F)F)c(C3CC3)cc2Cl)o1)C1CCS(=O)(=O)C1,XDZQYWMNSFOSCN-UHFFFAOYSA-N
-rxn:4:185192:222849,CC1CCCN(CCCOc2c(F)cccc2-c2ccc(C3CCNCC3)c(C#N)c2)C1,RYURUQZSQFSODE-UHFFFAOYSA-N
-rxn:4:185212:226098,CCCCOc1ccc(-c2ccc(CC3COS(=O)(=O)N3C(=O)OC(C)(C)C)cc2)cc1C,JKNYILFFMOWXMX-UHFFFAOYSA-N
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-rxn:4:185229:224893,CC(C)(C)c1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)C2)cc(C(C)(C)C)n1,JYAMRLHJBKDWEE-UHFFFAOYSA-N
-rxn:4:185238:223587,CCN(C(=O)Cc1ccc(-c2c(F)ccc(OCc3cc(OC)cc(OC)c3)c2F)cc1)C1CCCCC1,DICWRHKTGRCARU-UHFFFAOYSA-N
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-rxn:4:185289:223995,CN1CCN(c2cc(-c3cccc(CN(C(=O)c4ccccc4F)C4CCS(=O)(=O)C4)c3)cc(C(F)(F)F)c2)CC1,TUUPCLXMMVXCNW-UHFFFAOYSA-N
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-rxn:4:185309:223119,C#CCNC(=O)c1cccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,RZBUPHUOLQTHHE-UHFFFAOYSA-N
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-rxn:4:185376:223140,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2ccnc(C3CCCNC3)c2)C1,GOOMXIYAQIMASC-UHFFFAOYSA-N
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-rxn:4:199625:223057,CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(-c3cc(Cl)nc(C4CCCNC4)c3)cc2C#N)C1,XYBXUBKCZNCTDO-BDPMCISCSA-N
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-rxn:4:199645:225984,CC(C)(C)OC(=O)N1CCCC1COc1cccc(-c2cnc(Cl)c(N3CCOCC3)c2)n1,UVWFBRQQKPJTMF-UHFFFAOYSA-N
-rxn:4:199651:224752,CCN1CCN(Cc2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C)c2OCC(F)(F)F)CC1,IMNRURHIUXTETM-UHFFFAOYSA-N
-rxn:4:199655:225331,CCOc1cc(OC(F)(F)F)cc(-c2ccccc2CCC(=O)N2CC(CN3C(=O)CCC3=O)C2)c1,JXFVNZDSYZNFJD-UHFFFAOYSA-N
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-rxn:4:210690:223811,Cn1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c1C12COCCC1O2,WLRLHXLNCNQFEN-UHFFFAOYSA-N
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-rxn:4:212526:222396,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccc(C(=O)NC3CCC(O)CC3)cc2)CC1,FDOPWXUHJUXYFL-UHFFFAOYSA-N
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-rxn:4:212565:222944,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)cc1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1,YLGQOHKTAANZEC-UHFFFAOYSA-N
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-rxn:4:212569:225568,COC(=O)C(C)(C)c1ccc(-c2cnn(CC3CN(C(=O)CSC4CCCC4)C3)c2)cc1,WYFRXVWAFZBALD-UHFFFAOYSA-N
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-rxn:4:212622:224765,O=C(Cc1ccc(F)cc1)N1CCCC(COc2ncc(-c3cc(C(F)(F)F)ccc3N3CCCC3)cn2)C1,WAWZQZPRSKVSDR-UHFFFAOYSA-N
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-rxn:4:212649:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)c1Cl,LVBJMMYURNDNJA-UHFFFAOYSA-N
-rxn:4:212650:222546,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,ULRKXZXWZYREOT-UHFFFAOYSA-N
-rxn:4:212655:225524,CCCCCOc1cc(Cl)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C(=O)OC)c1,BCWURLKKJGXTOJ-UHFFFAOYSA-N
-rxn:4:212711:222406,CCNC(=S)Nc1cccc(-c2ccc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)o2)c1,IZVFJDJWGQOFLL-UHFFFAOYSA-N
-rxn:4:212721:223228,CCC(=O)Nc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(=O)C(C)C)CC3)n2)cc1,QQLGWKBDXBGKDH-UHFFFAOYSA-N
-rxn:4:212814:223287,CNS(=O)(=O)c1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,UBQQQBRTPSHUHF-UHFFFAOYSA-N
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-rxn:4:212827:225571,COC(=O)c1ccc(-c2ccc3[nH]c(C(=O)N4CCC(N(C)C(=O)OC(C)(C)C)CC4)cc3c2)c(C2CC2)c1,PGKADIBDLFBQJM-UHFFFAOYSA-N
-rxn:4:212833:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccccc1C(=O)N(CCN1CCOCC1)c1nc2cc(C)cc(C)c2s1,YELVANZBCBLWEW-UHFFFAOYSA-N
-rxn:4:212836:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2=NN(C(=O)CSc3cn(C)c4ccccc34)C(c3ccc(F)cc3)C2)cc1,NERMORDADCODOB-UHFFFAOYSA-N
-rxn:4:212936:223602,CC(=O)OCCN1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,SCULPVRQHPODDJ-UHFFFAOYSA-N
-rxn:4:212973:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cccnc3OC3CCN(C(=O)CN4CCOC4=O)C3)c2)C1,RKULDGUUUGPTAO-UHFFFAOYSA-N
-rxn:4:213004:224408,COc1ncccc1C(=O)N1CCC(Oc2ccncc2-c2cc(C(F)(F)F)nn2C(=O)OC(C)(C)C)C1,VRNFLPLFTAMCIJ-UHFFFAOYSA-N
-rxn:4:213011:225977,CC(C)C(=O)N1CCCC(COc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,YSHXSNFQDHRSFC-UHFFFAOYSA-N
-rxn:4:213042:226182,CC(C)(C)OC(=O)N1CCCC(Oc2cnc(-c3cccnc3C3CCCCC3)cn2)C1,RVXYQIHYVQLEAN-UHFFFAOYSA-N
-rxn:4:213046:224757,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ncc1-c1cc(Cl)cc(C(=O)N2CCOCC2)c1,CZNSQDRAENRCID-UHFFFAOYSA-N
-rxn:4:213053:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1Cl,QBQPRAZGLNJVJF-UHFFFAOYSA-N
-rxn:4:213060:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CCN(Cc5nc(-c6ccco6)cs5)CC4)o3)ccc2Cl)CC1,UJTCNOIPILBXRA-UHFFFAOYSA-N
-rxn:4:213061:224686,N#Cc1cccnc1OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCCC4)cc3F)cc2)CC1,LQIOEMRAOJWSEN-UHFFFAOYSA-N
-rxn:4:213062:225285,CC(C)Cc1ncc(-c2cnc(OC3CCN(C(=O)Cc4ccc(F)cc4F)CC3)nc2)cc1C(F)(F)F,JZCQIPIMVFFISO-UHFFFAOYSA-N
-rxn:4:213066:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc(C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)o1,PRZRZRZDCHURHR-UHFFFAOYSA-N
-rxn:4:213074:223125,CC(C)NC(=O)c1ccc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,LDMOBXHQQZHEFP-UHFFFAOYSA-N
-rxn:4:213098:227464,CCCCSc1ncc(-c2cc(C#N)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,FBEWUXVXAVTBKN-UHFFFAOYSA-N
-rxn:4:213127:223056,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)ccn2)CC1,KCCLBEVNLXOZFT-UHFFFAOYSA-N
-rxn:4:213136:226090,CCN(CC)Cc1cccc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)c1,SNYYFXMTAOONFB-UHFFFAOYSA-N
-rxn:4:213147:225086,CN(C)CCCOc1ccc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1Cl,JTJPZVZBXZKRPK-UHFFFAOYSA-N
-rxn:4:213167:225209,Cc1nc(N2CCCCC2C)ncc1-c1ccc(OCc2nc(C#N)c(N3CC(C)CC(C)C3)o2)cc1,QIMROIYSZODLED-UHFFFAOYSA-N
-rxn:4:213185:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(C(=O)N4CCN(Cc5nc(-c6ccccc6)cs5)CC4)o3)c2)CC1,FGXYRFCAJCZFOE-UHFFFAOYSA-N
-rxn:4:213203:224718,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3)CC2)nn1,VGOKLRMCXJHVQG-UHFFFAOYSA-N
-rxn:4:213204:224312,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3-c3ccc(F)c(C(=O)N4CCN(C)CC4)c3)C2)nc1,YXGXRTXIONEFMR-UHFFFAOYSA-N
-rxn:4:213204:224320,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3-c3cc(S(=O)(=O)N4CCCCC4)ccc3C)C2)nc1,ZRONMUWYLXKDKS-UHFFFAOYSA-N
-rxn:4:213220:222943,CC1CN(c2ccc(-c3ccc(F)c(S(=O)(=O)NC4CC4)c3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,GIQKEUNDZFOUJK-UHFFFAOYSA-N
-rxn:4:213226:225223,CC1CCN(c2cc(F)c(-c3cccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)c3)cn2)CC1,PHRINJOUHNRZNT-VWLOTQADSA-N
-rxn:4:213236:224886,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(CN5CCC(C)CC5)cc4)cn3)C2)cc1C,QBDVYNQWFKCGPC-UHFFFAOYSA-N
-rxn:4:213251:223978,CN(Cc1ccccc1)c1ncc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c1,BPSWRORWCUADKF-UHFFFAOYSA-N
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-rxn:4:213268:224891,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cc(N5CCCC5)ccc4C4CC4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,RHJKUPVYIXHPPV-LGGPFLRQSA-N
-rxn:4:213281:223015,COC(=O)c1ccc2[nH]c(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cc2c1,CMIJKUNOAHQDFO-UHFFFAOYSA-N
-rxn:4:213281:226360,Cn1nccc1-c1cccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c1,AYGVKDJPZZJDBM-UHFFFAOYSA-N
-rxn:4:213281:226362,Cn1ccc(-c2cccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)c2)n1,KRWGBOTUIODQSZ-UHFFFAOYSA-N
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-rxn:4:213339:224668,CCN1CCN(c2cc(F)cc(-c3ccc4c(C(=O)N5CC(S(=O)(=O)Cc6ccco6)C5)n(C)nc4c3)c2)CC1,ZKIDCCSWZYMFDH-UHFFFAOYSA-N
-rxn:4:213355:222784,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4ccc(NC(=O)OC(C)(C)C)c(F)c4)cc3nn2C)C1,BLEWZDYWMLKZEC-UHFFFAOYSA-N
-rxn:4:213480:222889,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(CN5CCNCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,GBHMXMLLXFDXDI-IYYFJEEQSA-N
-rxn:4:213480:224171,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(OCCCN5CCCC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LBAHWDPWOQIWRO-NHZPJIEJSA-N
-rxn:4:213480:224688,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CN5CCC(=O)CC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,HGFKTXUBZSJLCE-FYSNOCDASA-N
-rxn:4:213480:224767,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(C(=O)N5CCOCC5)c4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,HHHIMCGTZKTGCH-DQNNDMRBSA-N
-rxn:4:213485:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cn(CCC#N)nc2C(F)(F)F)c(C(F)(F)F)c1,FQOXJBDTKLUZHL-UHFFFAOYSA-N
-rxn:4:213581:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnc(OCCN2CCOCC2)nc1,JJTNBDQOVYEXEC-UHFFFAOYSA-N
-rxn:4:213627:223971,CC(=O)N1CCCC1CCc1cnc(-c2cc(N3CCC(C)CC3)cc(C(F)(F)F)c2)cn1,XUZZSNLKBXMMCB-UHFFFAOYSA-N
-rxn:4:213659:222584,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,BNVYGNGMYUUOBM-UHFFFAOYSA-N
-rxn:4:213739:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(S(=O)(=O)N3CCC(Oc4ncc(Cl)cn4)C3)cc2)C1,FZXWGCWCFDCCED-UHFFFAOYSA-N
-rxn:4:213765:225898,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cnn(CCN4CCOCC4)c3)n2)C1,GQOUCVVZORNZOS-UHFFFAOYSA-N
-rxn:4:213777:223578,CCOC(=O)c1nc(N2CCN(C)CC2)ccc1-c1cnc(N2CCCCC2)nc1OCc1ccccc1,DDEZDKRIOJXLAL-UHFFFAOYSA-N
-rxn:4:213840:223813,CC(C)(C)OC(=O)N1CCCC(n2ccnc2-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)C1,ICLGCAFENPKQQN-UHFFFAOYSA-N
-rxn:4:213875:225877,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(Cl)cc3N3CCOCC3)n2)CC1,HPQKEOHDHSXIAW-UHFFFAOYSA-N
-rxn:4:213892:223934,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc3ccc(F)cc3n2C(=O)OC(C)(C)C)CC1,KYVQYVQILVUTIT-UHFFFAOYSA-N
-rxn:4:213893:225898,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)CC1,BNXDMFNJTNDXTL-UHFFFAOYSA-N
-rxn:4:213897:224718,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(OCCN3CCOCC3)nc2)CC1,BMUIOXDNGWOZRO-UHFFFAOYSA-N
-rxn:4:213932:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)cc1C,IAZIAFGDHKKUSH-UHFFFAOYSA-N
-rxn:4:213932:226279,Cc1cnc(OCC(C)C)c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)c1,ZWGYXCFKBATMSJ-UHFFFAOYSA-N
-rxn:4:213933:224301,CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)c1,HVTXZBCEYAMMDU-UHFFFAOYSA-N
-rxn:4:213940:226566,COC(=O)c1ccc(OC)cc1-c1cnn(C)c1C1CCCN(C(=O)OC(C)(C)C)C1,GVMWSSJAARRMJR-UHFFFAOYSA-N
-rxn:4:213955:223881,Cc1ccc2cc(-c3cnc(OC4CCN(C(=O)C5CC=CCC5)CC4)nc3)n(C(=O)OC(C)(C)C)c2c1,JZTBHLSRZSXMBN-UHFFFAOYSA-N
-rxn:4:213968:224328,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncc(-c4cccc(S(=O)(=O)N5CCCCC5C)c4)cn3)C2)c1,ALKZRWNNHGVTJZ-UHFFFAOYSA-N
-rxn:4:213969:225717,COCCOCc1ccc(F)cc1-c1ccc(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)o1,MVUVZGLAIDMSGA-UHFFFAOYSA-N
-rxn:4:213972:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc1C,YFOULAIHKMYWFO-UHFFFAOYSA-N
-rxn:4:214042:226095,CCCCOc1cc(C)cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)o2)c1,BVWAEMWIVGJLQA-UHFFFAOYSA-N
-rxn:4:214054:226803,O=C1CN(C2CCN(S(=O)(=O)c3ccccc3-c3cnn(-c4ccnc(Cl)c4)c3)CC2)C(=O)N1C1CC1,SPMBJYYARBACDW-UHFFFAOYSA-N
-rxn:4:214074:226382,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(C4CCCCC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,AKYQAVRPWZXHLL-UHFFFAOYSA-N
-rxn:4:214202:226584,CN(C)C(=O)c1ccc(-c2cnc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2)c(Cl)c1,AVFBDSUYTKVSCM-NQYLQCIDSA-N
-rxn:4:214203:225688,CS(=O)(=O)N1CCN(C(=O)Cn2ccc3cc(-c4cnc(C5CCCCC5)c(Cl)c4)ccc32)CC1,ZYESYTFAIXDDQL-UHFFFAOYSA-N
-rxn:4:214217:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccccc3C(=O)N3CCC(Oc4cnc5ccccc5n4)C3)cc2)CC1,CCKVPZQPUHXTKO-UHFFFAOYSA-N
-rxn:4:214231:225979,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(N5CCOCC5)c(Cl)c4)cccc3n2)C1,ZAGHQNSBNARBBW-UHFFFAOYSA-N
-rxn:4:214291:226728,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc2ccc(-c3ccc(OCC(F)F)cc3F)cc2[nH]1,PEXXLJMQRQYASV-PXAQALGRSA-N
-rxn:4:214302:223598,COc1ccc2cc(C3CC(c4ccc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(F)c5)cc4)=NN3S(C)(=O)=O)c(Cl)nc2c1,NHZSOTMQRFXOBB-UHFFFAOYSA-N
-rxn:4:214361:226604,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4cc(Cl)c(F)c(OC(C)C)c4)ccc32)CC1,SUGZFVFHOPCJTC-RSDZZNSJSA-N
-rxn:4:214390:224592,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5(C#N)CCCCC5)ccc4F)ccc2OC32CCN(C(C)=O)CC2)cc1,UPIAZGJGDLJOKM-UHFFFAOYSA-N
-rxn:4:214391:222498,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)ccc4S(=O)(=O)NCc4ccccc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,MXMKLELZFQDUPR-UHFFFAOYSA-N
-rxn:4:214585:222514,COc1ccc(-c2ncccc2CN2CC(S(N)(=O)=O)C2)cc1S(=O)(=O)NC1CCCCC1,WSTRJBJLMQVNPR-UHFFFAOYSA-N
-rxn:4:214586:222584,CC(=O)N1CCC(Oc2cnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,OLXUPBQYCHIZKZ-UHFFFAOYSA-N
-rxn:4:214630:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)cnc21,GDBFKMAYXGSWKV-UHFFFAOYSA-N
-rxn:4:214683:224683,CCN1CCN(C(=O)c2ncc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2Cl)CC1,HDDSCEYUJNAUSP-UHFFFAOYSA-N
-rxn:4:214710:223978,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c3)c2)CC1,QCJWWNFEJQMDER-UHFFFAOYSA-N
-rxn:4:214711:224462,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cn2)CC1,MZQZQIHNTSJDPN-UHFFFAOYSA-N
-rxn:4:214748:222514,COc1ccc(-c2cc(C#N)ccc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)NC1CCCCC1,ICDSADMYYXOUGS-UHFFFAOYSA-N
-rxn:4:214781:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)CC1,VBFSBWDKBOFKRN-UHFFFAOYSA-N
-rxn:4:214791:224401,Cc1nc(N2CCN(CC3CC3)CC2)ccc1-c1ccc(C2COCCO2)c(C(F)(F)F)c1,CMQKPLRCIAUOPF-UHFFFAOYSA-N
-rxn:4:214829:222522,COc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1S(=O)(=O)N1CCC(O)CC1,LAJZJMTVHZAEDE-UHFFFAOYSA-N
-rxn:4:214829:223175,CCS(=O)(=O)Nc1cccc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,YIRNZVRTMCUNTM-UHFFFAOYSA-N
-rxn:4:214835:224269,CC(C)(C)OC(=O)n1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c2ccncc21,ODSTZLHFJLHMQM-UHFFFAOYSA-N
-rxn:4:214836:222522,COc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1S(=O)(=O)N1CCC(O)CC1,OSOVRHOBQXYMBP-UHFFFAOYSA-N
-rxn:4:214837:222522,COc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1S(=O)(=O)N1CCC(O)CC1,GSIGLNAZDHXBHW-UHFFFAOYSA-N
-rxn:4:214838:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,LGTATADMPVQOBJ-UHFFFAOYSA-N
-rxn:4:214839:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,UATKGUMAAZJMCU-UHFFFAOYSA-N
-rxn:4:214862:224848,CC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2)CC1,ZAQCIZHTPSYYFY-BWZATIJHSA-N
-rxn:4:214871:225166,O=C(c1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cc1F)N1CCCC1,IXJKTKFBXIQPBO-UHFFFAOYSA-N
-rxn:4:214871:227464,CCCCSc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)cn1,ZKBRUNVVXXOPRS-UHFFFAOYSA-N
-rxn:4:214882:226475,CCOc1ccc(-c2ccc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)c(OCC)n1,CIRGORZGLLHPIG-UHFFFAOYSA-N
-rxn:4:214888:223696,O=C(c1cncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,MLHRTTUXDWDQBZ-UHFFFAOYSA-N
-rxn:4:214888:224754,O=C(c1cncc(-c2ccccc2S(=O)(=O)N2CCCCC2)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,HYJIDYUAGLXWPC-UHFFFAOYSA-N
-rxn:4:214889:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C)CC3)c(N3CCCC3)c2)cc1F,BRPLEZXJKFPTPB-UHFFFAOYSA-N
-rxn:4:214897:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)cc1,UCHUDAFZNJNMKM-UHFFFAOYSA-N
-rxn:4:215028:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ncc3n2CCN(C(=O)OC(C)C)C3)cc1,LMDPXVTYZCYSCS-UHFFFAOYSA-N
-rxn:4:215054:224488,CC(C)N(C(=O)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)cc1)C(C)C,AHTFZBPBDYWEMO-UHFFFAOYSA-N
-rxn:4:215056:225218,CC1CCCN(c2ncc(-c3ccc(CSC4=NN5CCCC(=O)N=C5S4)cc3)cc2Cl)C1,PPQZVDQGWXDAGC-UHFFFAOYSA-N
-rxn:4:215061:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)c1,JPNMUFSIHHNHBD-UHFFFAOYSA-N
-rxn:4:215101:224668,CCN1CCN(c2cc(F)cc(-c3ncc4n3CCN(C(=O)OC(C)(C)C)CC4)c2)CC1,XALZKFNULCAOOP-UHFFFAOYSA-N
-rxn:4:215108:222945,CC(C)NS(=O)(=O)c1ccc(-c2c3c(nn2C)CN(C(=O)OC(C)(C)C)CC3)cc1F,PCPLGXWHQGDYMP-UHFFFAOYSA-N
-rxn:4:215108:224415,Cn1nc2c(c1-c1ccnc(C(F)(F)C(F)(F)C(F)(F)F)c1)CCN(C(=O)OC(C)(C)C)C2,UBVHPBCIIRVFCO-UHFFFAOYSA-N
-rxn:4:215197:223809,O=S(=O)(c1ccccc1-c1cc(N2CCOCC2)cc(N2CCOCC2)c1)N1CCC2CN(c3ccccn3)CC21,XMVNBYDXUYNOHT-UHFFFAOYSA-N
-rxn:4:215219:226278,Cc1nc(OCC(C)C)ccc1-c1ccc2ccc(N3CCOC(C(=O)N4CCOCC4)C3)nc2c1,CIJPKGDXHZCRBP-UHFFFAOYSA-N
-rxn:4:215228:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2nc(N3CCN(C(=O)C4CCCCC4)CC3)sc2c1,GZHLBLFXTXFAMI-UHFFFAOYSA-N
-rxn:4:215302:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCN(Cc5ccccc5)CC3)O4)cnc21,IBWCOSJKOAMNKW-UHFFFAOYSA-N
-rxn:4:215309:224849,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3cc(C4CCCC4)cc(C4CC4)c3)cccc1-2,BETNPBWWIPBSOH-MHZLTWQESA-N
-rxn:4:215732:223542,Cc1nc(N(C)C)c(C#N)c(C)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,AZAQXDQIXKAKBP-UHFFFAOYSA-N
-rxn:4:215772:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCC(C#N)CC4)c3)cn2)CC1,DTHLXNOZCJBAMH-UHFFFAOYSA-N
-rxn:4:215832:224802,COC(OC)c1ccc(-c2cnn(C)c2C(=O)N2CCC(F)(F)CC2)c(C(F)(F)F)c1,GIWRGDVRPLZTMM-UHFFFAOYSA-N
-rxn:4:215905:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1c(C)nc(N2CCOCC2)c(C#N)c1C,MKVBJUILQJHRFH-UHFFFAOYSA-N
-rxn:4:215989:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)cc1,VWHYQDKPQKVUFD-UHFFFAOYSA-N
-rxn:4:215990:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1,XVCVNEWMAHLANY-UHFFFAOYSA-N
-rxn:4:217857:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnn(C)c1C12CCN(C)CC1O2,SNXCAEFUUIVNCW-UHFFFAOYSA-N
-rxn:4:218630:225437,COc1nccnc1N(C)CC1CCN(C(=O)c2ccc(-c3cccc(CN4CCCCC4)c3)o2)CC1,XIDCVBRMXUGCDM-UHFFFAOYSA-N
-rxn:4:218646:223490,COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)no3)n2)cc1OC,KXLFWYAFHDXXPB-UHFFFAOYSA-N
-rxn:4:218652:222984,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccc(CN3CCC(O)C3)cc2)cn1,XRVCEFHVZIWUFL-UHFFFAOYSA-N
-rxn:4:218656:225223,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cnc(N4CCC(C)CC4)cc3F)cn2)C1,LPANGJDAVLYTDJ-UHFFFAOYSA-N
-rxn:4:218665:225975,CN(C)c1cccc(C(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCOCC5)c4Cl)cn3)C2)c1,QEMRNLCKTWDDMB-UHFFFAOYSA-N
-rxn:4:218668:227486,O=C(CN1CCN(c2ccccc2)C1=O)N1CCC(Oc2ncccc2-c2ccc(OCC(F)F)cc2)C1,BKLZVDPIFYXMAW-UHFFFAOYSA-N
-rxn:4:218676:225218,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1-c1cnc(N2CCCC(C)C2)c(Cl)c1,CAQRDBAVKQMMFY-UHFFFAOYSA-N
-rxn:4:218686:222748,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3cccc(C(=O)NCC4CCCO4)c3)CC2)CC1,FNWFYJQOUXVJMK-UHFFFAOYSA-N
-rxn:4:218694:222839,Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3ccc(NCC4CCCCC4)nc3)ccc2-c2nccs2)C1,ZNUDATWUVFVFPN-RNWIMVQKSA-N
-rxn:4:218696:228341,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1ccc(OC(F)F)cc1,HKMIPBHYXKOWAH-UHFFFAOYSA-N
-rxn:4:218709:222948,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cnc(N6CCC(O)CC6)nc5Cl)cc4)n[nH]3)CC2)c1,RQPLASGXTFXVNG-UHFFFAOYSA-N
-rxn:4:218767:225170,Cn1cc(CC(=O)N2CCCC(COc3ncc(-c4cc(F)ccc4CN4CCOCC4)cn3)C2)c2ccccc21,IMIJRRUCWFMVPL-UHFFFAOYSA-N
-rxn:4:218769:226562,CCOc1c(F)cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)cc1OC,VALURNUNWJDODV-UHFFFAOYSA-N
-rxn:4:218786:226690,Cc1nc(-c2cscn2)ccc1-c1cccc2c3c([nH]c12)CCN(C(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1)C3,QXKOUXZCTPWQJO-UHFFFAOYSA-N
-rxn:4:218851:224827,COC(=O)c1ccc(OC(F)(F)F)cc1-c1cnc(N(C)C2CN(C(=O)OC(C)(C)C)C2)cn1,OHVJQNCWDUHBPF-UHFFFAOYSA-N
-rxn:4:218867:222929,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(Cl)c(N4CCC(O)CC4)c3)c2)no1,XKHURTKYBUZOHF-UHFFFAOYSA-N
-rxn:4:218867:223184,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCNCC4)nc3)c2)no1,WHFCHSDTZFBXSI-UHFFFAOYSA-N
-rxn:4:218867:225633,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCCCCC4)nc3)c2)no1,HVWWSIXQBFRJEA-UHFFFAOYSA-N
-rxn:4:218867:225828,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCCCC4)nc3)c2)no1,SZQRHAKWDQJBCP-UHFFFAOYSA-N
-rxn:4:218867:226366,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCCCC4)c3)c2)no1,LFUFYAWWCIPQFU-UHFFFAOYSA-N
-rxn:4:218867:226612,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCCC4)nc3)c2)no1,XYMCOTYFCYZVPQ-UHFFFAOYSA-N
-rxn:4:218867:226685,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCOCC4)nc3)c2)no1,ZOFVBWOUASCGRZ-UHFFFAOYSA-N
-rxn:4:218868:223184,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCNCC4)nc3)cc2)no1,LTZGMRKVBLVUEJ-UHFFFAOYSA-N
-rxn:4:218868:225312,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCN(C)CC4)nc3)cc2)no1,XBRWKGRJHKSJQV-UHFFFAOYSA-N
-rxn:4:218868:225828,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCCCC4)nc3)cc2)no1,OZJFAZOJJSWOPP-UHFFFAOYSA-N
-rxn:4:218868:225867,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(Cl)c(N4CCCCC4)c3)cc2)no1,IGCILEOYTAOBEG-UHFFFAOYSA-N
-rxn:4:218868:225923,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(OC4CCCC4)nc3Cl)cc2)no1,GMDDEGBOGVCHPF-UHFFFAOYSA-N
-rxn:4:218868:226364,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCCC4)nc3)cc2)no1,NUQFHZQUQOVBKP-UHFFFAOYSA-N
-rxn:4:218868:226366,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(N4CCCCC4)c3)cc2)no1,UAMQNZVZXKVEEE-UHFFFAOYSA-N
-rxn:4:218868:226429,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCC(C)C4)s3)cc2)no1,AMWHECZIEQGKEV-UHFFFAOYSA-N
-rxn:4:218868:226612,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCCC4)nc3)cc2)no1,QHOPMAURYYUAQH-UHFFFAOYSA-N
-rxn:4:218877:225075,COC(=O)c1cc2ccc(-c3cnc(OC4CCCN(C(=O)CN5CCOC5=O)C4)nc3)cc2cn1,YTOFIWYBGXVRPD-UHFFFAOYSA-N
-rxn:4:218894:223588,Cc1cc(-c2cnc(N3CCC(COc4ccncc4Cl)CC3)c(C#N)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,LKBWGKLLTYACKS-UHFFFAOYSA-N
-rxn:4:218894:224462,N#Cc1cc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cnc1N1CCC(COc2ccncc2Cl)CC1,PGUMAMQVWKYRBF-UHFFFAOYSA-N
-rxn:4:218917:223870,CN(Cc1ccccc1)C(=O)c1ccc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,XEMLFAZFWDCXBY-UHFFFAOYSA-N
-rxn:4:218920:222703,COc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(C(F)(F)F)c(C5CCNCC5)c4)c3)CC2)nc1,YASSXBUYKHOLST-UHFFFAOYSA-N
-rxn:4:218920:223670,COc1cnc(OC2CCN(C(=O)c3cncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)c3)CC2)nc1,LDGSXAOOWWQYQN-UHFFFAOYSA-N
-rxn:4:218963:224815,Cn1ncc(-c2ccc(-n3ccnc3)cc2C(F)(F)F)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KKURINVZRZLPDL-UHFFFAOYSA-N
-rxn:4:218964:226508,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(OCC5CC5)nc4F)cn3)C2)CC1,BKJBTKALPDGJFF-UHFFFAOYSA-N
-rxn:4:218976:222512,O=C(Nc1ccccc1)c1cc(-c2cnc(OC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)cc([N+](=O)[O-])c1,LTZRQWDNFFOHTG-UHFFFAOYSA-N
-rxn:4:219012:225572,COC(=O)c1ccc(C2CC2)cc1-c1cnc(N(C)C2CCCN(C(=O)OC(C)(C)C)C2)nc1,CGUGWEWXRMEFDO-UHFFFAOYSA-N
-rxn:4:219028:223021,COCCNC(=O)c1cccc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnn2C)c1,RIICCPWPDUBYEM-UHFFFAOYSA-N
-rxn:4:219038:223812,Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ccncc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)C1,FTOBPYYHZNIQTG-UHFFFAOYSA-N
-rxn:4:219042:224590,CC1CCN(Cc2ccc(-c3cn(C)nc3CN3CCN(C(=O)OC(C)(C)C)CC3C)c(F)c2)CC1,QHDWKKSOXWRLTG-UHFFFAOYSA-N
-rxn:4:219044:223959,CCN1CCN(C(=O)c2cc(-c3cncc(C(=O)N4CCC(Cn5ccnc5C(C)C)CC4)c3)ccc2Cl)CC1,CDCKPOCBLWAPNC-UHFFFAOYSA-N
-rxn:4:219061:227367,CCOc1cc(Cl)c(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)cc1C,GSMLRDLWANJMJQ-UHFFFAOYSA-N
-rxn:4:219068:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCN(c6ccccc6)CC5)n4)cc3)ccc21,JRYDWALWFPOBJG-UHFFFAOYSA-N
-rxn:4:219078:225365,CC(C)Oc1c(F)c(F)c(-c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c(F)c1F,TVUSMYGJCJOIOW-UHFFFAOYSA-N
-rxn:4:219107:223568,CCC(=O)C1=C(c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2)N(C(=O)CC)n2c(C)nnc2S1,GOVRIJOOZKLMKB-UHFFFAOYSA-N
-rxn:4:219126:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1ccccc1CCC(=O)N1C2CCC1CC(n1cncn1)C2,YOUWWBIDGWANBO-UHFFFAOYSA-N
-rxn:4:219129:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)c2)CC1,OKVAJGPMZAXXHU-UHFFFAOYSA-N
-rxn:4:219203:223598,COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)ccc2-n2c(C)cnc21,DTSJSRVRYDJZGZ-PMERELPUSA-N
-rxn:4:219207:225410,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cs2)CC1,WEYYYEQCWGVGAC-UHFFFAOYSA-N
-rxn:4:219245:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)n2)cc1,VKOSIHJQXCAPTJ-OAHLLOKOSA-N
-rxn:4:219271:222451,COc1ccc(CNS(=O)(=O)c2ccc(-c3cnc(N4CCN(CC(F)(F)F)CC4)c([N+](=O)[O-])c3)cc2)cc1,OGWUGPOXRRDHGK-UHFFFAOYSA-N
-rxn:4:219281:222426,Cn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2,FBQQEAXRLUVIPO-UHFFFAOYSA-N
-rxn:4:219381:226473,CSc1ncc(-c2cccnc2OCCN(C)C)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,JTFGRCGVVYWEDV-UHFFFAOYSA-N
-rxn:4:219383:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)cnc2C1,RZRDZTHYWHVLDA-UHFFFAOYSA-N
-rxn:4:219410:226522,CCOC(=O)c1cc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)ccc1F,MPIYIDCTTAHDKE-UHFFFAOYSA-N
-rxn:4:219419:224285,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCOCC5)cc4F)o3)CC2)cc(C(F)(F)F)n1,ICSUZHLDSNTRBD-UHFFFAOYSA-N
-rxn:4:219431:224666,CN1CCN(Cc2cc(-c3ccccc3S(=O)(=O)N3CCC(n4cc(C5CC5)nn4)C3)ccc2F)CC1,VEFJCISZNOFPGU-UHFFFAOYSA-N
-rxn:4:219436:228363,CN(C)c1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)cn1,KSZXIIQPSZMCGQ-UHFFFAOYSA-N
-rxn:4:219488:223658,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)cn1,UTFBCKIZIMPJHG-FQEVSTJZSA-N
-rxn:4:219500:227500,CCN(C)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)cc1Cl,HGUJAPPUDTUEKQ-UHFFFAOYSA-N
-rxn:4:219508:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccccc1C(=O)N1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1,UVQJMYRHFXFOMH-UHFFFAOYSA-N
-rxn:4:219553:226088,CCN(CC)Cc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)c2)cc1,JRHVEOJLUUDQIN-UHFFFAOYSA-N
-rxn:4:219565:226794,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCSCC5)nc4)cc3)CC2)n1,VEUQKLZEOFRSID-UHFFFAOYSA-N
-rxn:4:219565:227390,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccnn4C4CCCCC4)cc3)CC2)n1,LPVQZJOTFWMEJU-UHFFFAOYSA-N
-rxn:4:219565:227449,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(C5CCOCC5)s4)cc3)CC2)n1,KIEHFFUJXZDVAM-UHFFFAOYSA-N
-rxn:4:219651:222935,COc1ccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,JTEPFYIUCYRQJR-UHFFFAOYSA-N
-rxn:4:219653:224323,Cc1cc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc(C)c1S(=O)(=O)N1CCCC1,IQEGCHSVDZJTFO-UHFFFAOYSA-N
-rxn:4:219704:224672,CCN1CCN(c2ccc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)c(Cl)c2)CC1,JMUOCJLFPCTWPG-UHFFFAOYSA-N
-rxn:4:219707:226371,Cc1cc(N2CCCC2)ncc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F,MEFLRDKDZLWOFP-UHFFFAOYSA-N
-rxn:4:219750:222581,COc1ccc(-c2ccc(S(=O)(=O)NC(C)C)c3ccccc23)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,IUYKFHGSZVBHKK-UHFFFAOYSA-N
-rxn:4:219849:223539,COc1ccc(-c2ccccc2S(=O)(=O)N2CC(n3nccn3)C2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,SYTXDNAQDBOBBV-UHFFFAOYSA-N
-rxn:4:219904:222872,COc1cc(C(=O)NC2CC2)ccc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,NLYRXADWTGKJJA-UHFFFAOYSA-N
-rxn:4:219908:222694,CN1CCCN(c2oc(-c3ccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)o3)nc2C#N)CC1,GBEGAAKWAPQOLP-UHFFFAOYSA-N
-rxn:4:219959:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,VQIGAYUUZZUTPO-UHFFFAOYSA-N
-rxn:4:219985:222465,CCc1cnc(N2CCN(c3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc3)CC2)nc1,ZYDTZUUMXGOEFQ-UHFFFAOYSA-N
-rxn:4:220039:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)cc1,JNNBFHUWPDGAKI-UHFFFAOYSA-N
-rxn:4:220049:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(CCN4CCOCC4)c4ncnc(Cl)c34)cn2)CC1,FPYGECUYIAMZLU-UHFFFAOYSA-N
-rxn:4:220136:224627,CN(C)C1CN(C(=O)c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cc2)C1,XHLGDOOXQBJZCP-UHFFFAOYSA-N
-rxn:4:220159:223728,CCCCCC1CCC(c2ccc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)c(F)c2)CC1,YRGWAPCCFKLUMV-UHFFFAOYSA-N
-rxn:4:220159:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)c2)CC1,HQZPEYSNUNPSNL-UHFFFAOYSA-N
-rxn:4:220159:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)cc2)CC1,BSPUJANFLXPJQD-UHFFFAOYSA-N
-rxn:4:220159:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc3nc(N4CCC(c5nnc(C6CC6)o5)CC4)sc3c2)CC1,OQTZQBAIXFNEBV-UHFFFAOYSA-N
-rxn:4:220171:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCN(C(=O)c6nc7ccccc7s6)CC5)sc4c3)ccc2C)CC1,UBAXXCYFLYLBAG-UHFFFAOYSA-N
-rxn:4:220298:223606,N#CC1CN(c2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cn2)C1,KCEZOGTTXZSQSX-UHFFFAOYSA-N
-rxn:4:220429:222537,c1nc(N2CCCN(C3CCOC3)CC2)ncc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,BHTZJBZGFKWFFT-UHFFFAOYSA-N
-rxn:4:220518:223533,CCN1CCN(c2cnc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cc3n2)CC1,OBQZYEMBLBDDGL-UHFFFAOYSA-N
-rxn:4:220519:223671,CCN1CCN(c2ncnc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)CC1,DGXOQGCFEUFZBW-UHFFFAOYSA-N
-rxn:4:220536:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c3ccccc23)CC1,DJDOZCDLRPOIGL-UHFFFAOYSA-N
-rxn:4:220536:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c2)CC1,QCHOXYTYDOHGGH-UHFFFAOYSA-N
-rxn:4:220536:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)ccc2C)CC1,VZSLEBIMPJHZBZ-UHFFFAOYSA-N
-rxn:4:221087:223892,CN1CCN(CCCOc2ccc(-c3ccccc3CC(=O)N(C)C3CN(c4nccnc4C#N)C3)cc2)CC1,KHRQTUSRWIQRBU-UHFFFAOYSA-N
-rxn:4:221098:226231,CCCCOc1ncc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)nc2)cc1C,NYYVYYWCXLKQIY-UHFFFAOYSA-N
-rxn:4:221115:225801,CCOc1ccc(-c2ccnc(OC3CCCC3)c2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,WTIFRKVGXWACLR-UHFFFAOYSA-N
-rxn:4:221116:225050,CCOc1ccc(-c2cc(F)cc(N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,PLSGIVQJNUJGOA-UHFFFAOYSA-N
-rxn:4:221121:222939,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)Nn6cnnc6)cc5)ccc43)CC2)CC1,YBUXCDVAJRPRCV-UHFFFAOYSA-N
-rxn:4:221121:223279,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(C6CCCN6)nc5)ccc43)CC2)CC1,AOJHGYWZSSQTTP-UHFFFAOYSA-N
-rxn:4:221121:229006,CSc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1,YCKOLBKHNUNEHW-UHFFFAOYSA-N
-rxn:4:221145:222465,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,GVLLCYXRQPGWBC-UHFFFAOYSA-N
-rxn:4:221145:222466,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,KXOPMOWWJIYZNX-UHFFFAOYSA-N
-rxn:4:221145:222537,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,KVPVGCATZGLIQP-UHFFFAOYSA-N
-rxn:4:221152:223660,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)C1,DUCDDBYIMJZNDU-UHFFFAOYSA-N
-rxn:4:221152:224127,CCN1CCN(C(C)c2ccc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)cc2)CC1,YCOOYUBEIJUSJM-UHFFFAOYSA-N
-rxn:4:221156:224325,CCn1cc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)nc1C,XZWPFSRELNJFFK-UHFFFAOYSA-N
-rxn:4:221180:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5cc(C)n(C)n5)CC4)nc3)c(F)c2)CC1,CBLMPGCXHFUDDP-YOCNBXQISA-N
-rxn:4:221180:223945,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)nn1C,KKXAUFPVVASEKZ-UHFFFAOYSA-N
-rxn:4:221181:224325,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)nn1C,BCAHDBJZPXDHER-UHFFFAOYSA-N
-rxn:4:221186:224835,CN(CC1CCN(c2ncc(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)cn2)CC1)c1cc(C(F)(F)F)ccn1,KAELSHHPQGNDSY-UHFFFAOYSA-N
-rxn:4:221198:222634,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)nn1,LSGCGWOUYLBGSL-UHFFFAOYSA-N
-rxn:4:221209:223279,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,UGVQEXINNVHMCT-UHFFFAOYSA-N
-rxn:4:221251:224126,CCN1CCN(C(C)c2cccc(-c3ccc(-c4cc(N5CCCN(C(=O)Cc6c[nH]c7ccccc67)CC5)[nH]n4)cc3)c2)CC1,SMRXJXXJDFGINI-UHFFFAOYSA-N
-rxn:4:221272:222948,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2)n(C)c1=O,IOXUZUJOPYXMEP-UHFFFAOYSA-N
-rxn:4:221273:224178,CN1CCN(CCOc2cccc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6CCc5ccccc5)n(C)c4=O)cc3)c2)CC1,KDAIZHXRCIUJOY-UHFFFAOYSA-N
-rxn:4:221351:222602,CC(C)Cc1cc(-c2cnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,AMFAGVZEYJEXMF-UHFFFAOYSA-N
-rxn:4:221369:223649,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)ccc1=O,VFZNVHNKXCQJNX-UHFFFAOYSA-N
-rxn:4:221381:224973,Cc1nc(N2CCN(C(=O)c3cncc(-c4cccc(CN5CCN(C)CC5)c4)c3)CC2)cc(C(F)(F)F)n1,LGDMAOIGZFCVLK-UHFFFAOYSA-N
-rxn:4:221389:222723,Cc1ncnc(N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)c1C,XCAISHDTFVPKFY-UHFFFAOYSA-N
-rxn:4:221406:223693,CN(C)c1cc(N2CCN(Cc3cccc(-c4cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c4F)c3)CC2)ncn1,KLRBBNCVEKMZSA-UHFFFAOYSA-N
-rxn:4:221421:225010,O=C(c1cccc(-c2ccc(F)c(CN3CCCCC3)c2)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,INVDIILJCXMFHS-UHFFFAOYSA-N
-rxn:4:221433:223992,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)CC2)n1,RYMILRIZSDKICO-UHFFFAOYSA-N
-rxn:4:221440:225183,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OC5CCCCC5)nc4F)cc3)CC2)n1,IEKSHKFVZAWQHR-UHFFFAOYSA-N
-rxn:4:221491:224394,Cc1ccc(-c2cnc(N3CC4CCCC4(COc4ncc(F)cn4)C3)nc2)cc1S(=O)(=O)N1CCOCC1,RLWNGIULERCLPX-UHFFFAOYSA-N
-rxn:4:221498:224196,CCN1CCN(Cc2cc(F)cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c2)CC1,DUOVFHANTLMXND-UHFFFAOYSA-N
-rxn:4:221550:223812,CCCCn1c(=O)c2c(nc3n(-c4ccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cc4)c(C)cn23)n(C)c1=O,UXPZNMNZLGLNSZ-UHFFFAOYSA-N
-rxn:4:221645:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)nc3)cnc2C1,NZWJWQLTFGORNE-UHFFFAOYSA-N
-rxn:4:221692:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(c5ncnc6c5CCCC6)C4)c3)cc2F)CC1,XIFRFEAVDOTLNF-UHFFFAOYSA-N
-rxn:4:221695:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(c4cc(C)nc5ccnn45)C3)ccc2OC)CC1,BAZGFAQOVABUKA-UHFFFAOYSA-N
-rxn:4:221726:226583,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(CN4CCOCC4)s3)cn2)CC1,WGGQBZQJPHUKOH-UHFFFAOYSA-N
-rxn:4:221730:223489,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cn2)CC1,LSNIXTYIOQAZQF-UHFFFAOYSA-N
-rxn:4:221750:222839,CC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(NCC4CCCCC4)nc3)cc2)n(C)c1=O,FBITVCHUURJXGM-UHFFFAOYSA-N
-rxn:4:221913:224663,CN1CCN(Cc2ccc(-c3cccnc3OC3CCN(C(=O)CSc4nnnn4C)CC3)cc2F)CC1,VQIJTASZKOJKIP-UHFFFAOYSA-N
-rxn:4:221920:225189,CCOc1ccc(-c2cccc(CN3C(=O)CCC3=O)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,BEWZAKPHTDOKHX-UHFFFAOYSA-N
-rxn:4:221935:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)ccc2C)CC1,QTIWMIPHMJMBJA-UHFFFAOYSA-N
-rxn:4:221935:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)cc2F)CC1,DMFZKFZPPPCXBN-UHFFFAOYSA-N
-rxn:4:221935:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)c2)CC1,OQLLDAXWTDFZCY-UHFFFAOYSA-N
-rxn:4:221943:222927,Cc1nc(N2CCCCC2O)ncc1-c1cncc(C(=O)N2CC(n3cc(CN4CCCC4=O)nn3)C2)c1,AYCJFVQJHLKEIE-UHFFFAOYSA-N
-rxn:4:221963:223637,Cc1ccn(-c2ccc(N3CCN(CCc4ccc(-c5ccccc5C5CCCN(C(=O)OC(C)(C)C)C5)cc4)CC3)nn2)n1,PQDXXQYZGAZACQ-UHFFFAOYSA-N
-rxn:4:221965:223013,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6ccc(C(=O)OC)cc6[nH]5)cc4)CC3)nn2)CC1,YLIDVRGONNJLCI-UHFFFAOYSA-N
-rxn:4:221967:223583,COC(=O)c1ccc2c(-c3ccc(-n4nnc5c(=O)n(C(C(C)=O)C(=O)N(C)C)cnc54)cc3)cn(C(=O)OC(C)(C)C)c2c1,MHBYFZMTLPUKPL-UHFFFAOYSA-N
-rxn:4:221982:222635,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc([C@H](C)NC(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,LZQDXKNBLWRIPR-KCOBHRJASA-N
-rxn:4:222018:223866,Cc1noc(-c2cn(C3CCCN(C(=O)c4cccc(-c5ccccc5CN5C(C)(C)CCCC5(C)C)c4)C3)nn2)n1,UGYBVZJQBBJVBS-UHFFFAOYSA-N
-rxn:4:222028:222924,Cc1ccc(-c2cnc(N3CCN(c4ccc(N(C)C)nn4)CC3)c(C(F)(F)F)c2)cc1S(=O)(=O)NC(C)C,HDUUPDJKVRHXCF-UHFFFAOYSA-N
-rxn:4:222039:222614,O=C(c1cc(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,XEVAKDTULRYLQK-UHFFFAOYSA-N
-rxn:4:222044:222723,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5cccc(NS(=O)(=O)N6CCOCC6)c5)cc4)CC3)nn2)n1,DGRPPZJGUYSXNO-UHFFFAOYSA-N
-rxn:4:222062:222937,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC(F)(F)F)cc4)cc3)CC2)n1,YWWTWNIZQFDBGR-UHFFFAOYSA-N
-rxn:4:222062:227278,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(C#N)CC5)nc4)cc3)CC2)n1,SKPBCQYDNKBMAL-UHFFFAOYSA-N
-rxn:4:222089:222896,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)s1,FHMPTBQNRYMGBS-UHFFFAOYSA-N
-rxn:4:222108:225168,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)c(F)c6)cc5)no4)C3C2=O)cc1F,IHEAFHIBEDKDAR-UHFFFAOYSA-N
-rxn:4:222113:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(-n4nnc5c(=O)n(CC(=O)N6CC(C)OC(C)C6)cnc54)cc3)c2)C1,MKVVGLAGRAEOFG-UHFFFAOYSA-N
-rxn:4:222161:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)nc3)cc2)CC1,XETLLSUHZPEBGL-RQNOJGIXSA-N
-rxn:4:222162:224022,c1nc(C2CCC2)cc(N2CCN(c3ncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cn3)CC2)n1,ZKYWAWBEADRAIN-UHFFFAOYSA-N
-rxn:4:222279:223482,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCC7(CC6)OCCO7)c5)CC4)ncnc32)cc1,NOKWABVXHIDLFB-UHFFFAOYSA-N
-rxn:4:222289:222522,COc1ccc(-c2cnc(N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,URYMMGLDBBKFJD-UHFFFAOYSA-N
-rxn:4:222289:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)nc3)cc2C)CC1,DRMZMRSONTYHEI-UHFFFAOYSA-N
-rxn:4:222289:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)nc3)c2)CC1,ORZAJXWMZJSNMT-UHFFFAOYSA-N
-rxn:4:222289:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)nc3)ccc2OC)CC1,SBCIIILSVRHRTA-UHFFFAOYSA-N
-rxn:4:222289:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)nc3)ccc2C)CC1,LZEUPUJPHMWVLC-UHFFFAOYSA-N
-rxn:4:222329:224497,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(c5nccc(N6CCCC6)n5)CC4)nc3)cc2)CC1,MDQTWJJSNGQABO-UHFFFAOYSA-N
-rxn:4:222389:176279,Cc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4)ccc3C2=O)o1,UALOSICJDOOXTP-UHFFFAOYSA-N
-rxn:4:222520:214569,CN(C)S(=O)(=O)n1ncc(C2CC2)c1-c1ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c1,SGFUMWXTEINAIE-UHFFFAOYSA-N
-rxn:4:222523:173972,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(OCCCS(C)(=O)=O)cc2)c(C(F)(F)F)c1,PMIJDDXPGOIJKQ-UHFFFAOYSA-N
-rxn:4:222613:184167,CCCNS(=O)(=O)c1ccc(-c2ccc3cc(CN(C(=O)OC(C)(C)C)C4CC4)ccc3c2)c(C(F)(F)F)c1,VBFSQKFXDWFANL-UHFFFAOYSA-N
-rxn:4:222630:176279,Cc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(C6CCC6)nc(C6CCNCC6)c5)cc4)ccc3C2=O)o1,LOKQWQOJGWEYNS-UHFFFAOYSA-N
-rxn:4:222693:204010,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)n2)CC1,LDLPPAHEQXMXCY-UHFFFAOYSA-N
-rxn:4:222751:194697,Cc1ccc(-c2ccc3c(c2)C(=NS(=O)C(C)(C)C)CCC3)cc1NC(=O)OC(C)(C)C,YHLGWZYZFSRKCZ-UHFFFAOYSA-N
-rxn:4:222792:184207,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(-c4cc(NC(=O)OC(C)(C)C)ccc4F)cc3)cc12,BTVORVYRMQPLLT-UHFFFAOYSA-N
-rxn:4:222820:174515,CC(C)[Si](Oc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(F)c2)cc1)(C(C)C)C(C)C,TWCFSMHWIHJSHD-UHFFFAOYSA-N
-rxn:4:222821:187633,CC(C)(C)NS(=O)(=O)c1cc(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)ccc1F,XJZRVDZAFJQEOD-UHFFFAOYSA-N
-rxn:4:222821:187671,CC(C)(C)NS(=O)(=O)c1cc(-c2cc(CN3CCC(C(F)(F)F)CC3)cc(C(C)(C)C)c2)ccc1F,ZNXZWFUPEUPLAR-UHFFFAOYSA-N
-rxn:4:222821:199894,CC(C)(C)NS(=O)(=O)c1cc(-c2cccc3c(C(=O)CC#N)cn(C(=O)OC(C)(C)C)c23)ccc1F,DCNIUQOWXYSGRF-UHFFFAOYSA-N
-rxn:4:222940:178382,CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)c1,ANAGBOBQNKZXGN-UHFFFAOYSA-N
-rxn:4:222971:185107,CC(C)S(=O)(=O)c1ncc(-c2ccc(NC(=O)C(C)(C)C)cc2)cc1C(=O)OC(C)(C)C,CLIDHDFDEWNNDM-UHFFFAOYSA-N
-rxn:4:223082:185148,CNS(=O)(=O)c1c(C)cc(-c2ccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)cc1C,DSVHSABKLLJDLR-UHFFFAOYSA-N
-rxn:4:223481:178835,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)C(F)F)cc3)c(F)c2)CC1,XDJBJANSFUIAMU-UHFFFAOYSA-N
-rxn:4:223490:215636,Cc1ccc(-c2nc(-c3cnc(C4CC4)nc3)cs2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NWCONMIHWODORR-UHFFFAOYSA-N
-rxn:4:223520:186088,CCC(=O)C(C#N)c1ccc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,FIPFLPXFFAIOHI-UHFFFAOYSA-N
-rxn:4:223520:187446,CC(c1ccc(-c2ccc(C(=O)N=C(c3ccccc3)C(C)(C)C)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,WAYGBZRZTPYOBZ-UHFFFAOYSA-N
-rxn:4:223541:205178,COc1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ccnc1[N+](=O)[O-],SAUIQWFCZCPHBW-UHFFFAOYSA-N
-rxn:4:223570:184173,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(OCc4ccccc4)c4c3ccn4C(=O)OC(C)(C)C)c(F)ncc21,AIEQBPOHYYQPMQ-UHFFFAOYSA-N
-rxn:4:223570:185355,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)ncc21,VQVCDKJQWYJBPN-UHFFFAOYSA-N
-rxn:5:176593:223062:225607,CCOC(=O)c1cc(-c2ccc(C(C)N3CCCCC3)s2)ccc1-c1cnc(C2CCNCC2)cc1F,JWPLNDDGRNAFFO-UHFFFAOYSA-N
-rxn:5:176852:225976:222980,COC(=O)c1cc(-c2ccc(CN3CCNCC3)cc2)c(OC)c(-c2ccnc(N3CCOCC3)c2F)c1,JZLWPAKSCOAHHC-UHFFFAOYSA-N
-rxn:5:176853:226662:223065,COC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)c(-c2ccc(N3CCNCC3)cc2F)cc1OC,KODWCVDYGFIFDB-UHFFFAOYSA-N
-rxn:5:176858:225849:223062,COC(=O)c1cc(-c2cnc(N3CCCCC3)cc2F)c(OC)cc1-c1cnc(C2CCNCC2)cc1F,KCWJULPOOHEPGG-UHFFFAOYSA-N
-rxn:5:176860:226654:222989,COC(=O)c1c(-c2csc(N3CCC(C)CC3)n2)ccc(OC)c1-c1ccc(N2CCNCC2)cc1C,KCLNRBRSKBVDSA-UHFFFAOYSA-N
-rxn:5:176865:223008:225655,COC(=O)c1cc(-c2cncc(N3CCC(C)CC3)c2)cc(OC)c1-c1cc(C2CCNCC2)ccc1F,PNGXRNFLELNESA-UHFFFAOYSA-N
-rxn:5:177184:225800:223064,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1ccc(C(=O)N2CCSC2)cc1,IYUDWVWCZSXECP-UHFFFAOYSA-N
-rxn:5:177189:223063:223064,CCOC(=O)c1c(-c2cc(F)nc(C3CCNCC3)c2)ccc(C)c1-c1ccc(C2CCNCC2)nc1F,UZXYSLUVIBMMLQ-UHFFFAOYSA-N
-rxn:5:177190:223054:223294,CCS(=O)(=O)Cc1ccc(-c2csc(N3CCNCC3)n2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,PEWCNWJYKPICAF-UHFFFAOYSA-N
-rxn:5:177191:222998:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)C4CC4)c(-c4cc(F)cc(C5CCCNC5)c4)c3)c2)CCC1,SOERAXKYCHKUFS-UHFFFAOYSA-N
-rxn:5:177191:223000:225440,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCCNC5)c(F)c4)c3)cc2)CCCC1,HMJCEBWJGJCYLB-UHFFFAOYSA-N
-rxn:5:177731:225834:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1cc(N2CCCCC2)ncc1F,PXDPYLSIMLJIAS-UHFFFAOYSA-N
-rxn:5:177732:223062:225454,CN1CC=C(c2ccc(-c3cc(C(=O)OC(C)(C)C)ccc3-c3cnc(C4CCNCC4)cc3F)cc2)CC1,ZKMRQTLGPTZREF-UHFFFAOYSA-N
-rxn:5:177732:225632:223064,CN1CCN(c2cccc(-c3ccc(C(=O)OC(C)(C)C)cc3-c3ccc(C4CCNCC4)nc3F)c2)CC1,MRCFNSPLJIIVHZ-UHFFFAOYSA-N
-rxn:5:177734:223054:223135,Cc1cc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cccnc2C2CCCNC2)cc1C(=O)OC(C)C,NPIKWQZVZNXMEO-UHFFFAOYSA-N
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-rxn:5:177891:225798:223384,CNC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3CCOCC3)nc2)cn1,ILYYGVMMOXKLIZ-UHFFFAOYSA-N
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-rxn:5:177891:226583:226586,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOC2)c1)c1ccccc1-c1ccc(CN2CCOCC2)s1,CGADZXUNXSBBOR-UHFFFAOYSA-N
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-rxn:5:177891:226649:223146,O=C(SC1CS(=O)(=O)CC1c1cccc(C2CNCCO2)c1)c1ccccc1-c1cccnc1N1CCOCC1,YTAIVIWJTQCHND-UHFFFAOYSA-N
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-rxn:5:177891:227449:228879,O=C(SC1CS(=O)(=O)CC1c1ccnn1C1COC1)c1ccccc1-c1ccc(C2CCOCC2)s1,MXVKIPXWVWMFEV-UHFFFAOYSA-N
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-rxn:5:178118:222957:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCO2)cc(C2CCCNC2)c1,YGYZBBPRXXOVBU-UHFFFAOYSA-N
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-rxn:5:178118:227506:222959,Cc1cc(-c2ccc(-c3cccc(/C=C/[N+](=O)[O-])c3)c(OCC3CCCCO3)c2)ccc1C1CCNCC1,MZCYZDGABWXLJV-SAPNQHFASA-N
-rxn:5:178120:222988:227507,Cc1cc(-c2cccc(OCC3CCOCC3)c2-c2cccc(C=C[N+](=O)[O-])c2)cc(C2CCNCC2)n1,SIYMVLBITZOULX-UHFFFAOYSA-N
-rxn:5:178121:226583:227768,CN(C)S(=O)(=O)n1cccc1-c1cccc(OCC2CCOCC2)c1-c1ccc(CN2CCOCC2)s1,VNLRAIZSZQRDLM-UHFFFAOYSA-N
-rxn:5:178225:226464:227803,COc1ccc2c(c1-c1cccc(OCC3CCCCC3)c1-c1ccnn1S(=O)(=O)N(C)C)OCCO2,LITJSZLQPROQEH-UHFFFAOYSA-N
-rxn:5:178295:222405:227314,COC(=O)C1(c2cc(-c3ccc(CC(C)C)nc3F)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,YYKKLDHWNGNADW-UHFFFAOYSA-N
-rxn:5:178295:223113:223112,COC(=O)C1(c2cc(-c3c(C(C)C)ccc4[nH]ncc34)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCC(=O)CC1,HVLLFWIHENKGII-UHFFFAOYSA-N
-rxn:5:178295:226068:227989,CC#Cc1ccc(F)c(-c2ccc(-c3c(C)cc(C(C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,TVHJAIZHHSVEAL-UHFFFAOYSA-N
-rxn:5:178295:226335:223011,COC(=O)C1(c2cc(-c3cc4[nH]ncc4cc3OC(C)C)ccc2-c2ccc(C3COC3)c(C#N)c2)CCC(=O)CC1,AVZZCIHNUKWWBK-UHFFFAOYSA-N
-rxn:5:178295:226769:228506,CCCc1ccccc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,ISISABQIZDJGBY-UHFFFAOYSA-N
-rxn:5:178295:226772:227917,CCc1ccc(OC)c(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SRAZDQRASVOBPJ-UHFFFAOYSA-N
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-rxn:5:178295:227075:228450,COC(=O)C1(c2cc(-c3cc(C)c(F)c(F)c3F)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,RNIITEYFNOZOIM-UHFFFAOYSA-N
-rxn:5:178295:227303:227819,CCc1cc(CC)cc(-c2ccc(-c3cccc(CN(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MZAYCZSDGVPHOJ-UHFFFAOYSA-N
-rxn:5:178295:227507:223062,COC(=O)C1(c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2cccc(C=C[N+](=O)[O-])c2)CCC(=O)CC1,GPSORFGTUYSETR-UHFFFAOYSA-N
-rxn:5:178295:227518:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc(OC)c(C#N)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ADTVAXHSKIPWBT-UHFFFAOYSA-N
-rxn:5:178295:227524:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(OC)c(C#N)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,RWWBXNAACJJDEG-UHFFFAOYSA-N
-rxn:5:178295:227540:228396,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3F)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,NOSYTQUDRHYKQH-UHFFFAOYSA-N
-rxn:5:178295:228268:226910,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C)c(F)c3SC)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,LSMBDQSWQGPKKM-UHFFFAOYSA-N
-rxn:5:178295:228341:223230,COC(=O)C1(c2cc(-c3ccc(NC(C)=O)cc3C)ccc2-c2ccc(OC(F)F)cc2)CCC(=O)CC1,RLSURHQHZUKGAK-UHFFFAOYSA-N
-rxn:5:178295:228430:227362,CCOc1cc(C)cc(F)c1-c1ccc(-c2c(F)cc(SC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,UXKKHTUPCOTLHS-UHFFFAOYSA-N
-rxn:5:178295:228431:226148,COC(=O)C1(c2cc(-c3cccc(C#C[Si](C)(C)C)c3)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,DLSLPGPNTUJZRE-UHFFFAOYSA-N
-rxn:5:178295:228431:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,XMRVIDHCDCQFGY-UHFFFAOYSA-N
-rxn:5:178295:228759:223008,COC(=O)C1(c2cc(-c3cc(C4CCNCC4)ccc3F)ccc2-c2ccc(C(C)=O)nc2)CCC(=O)CC1,ICZSYHCUSXAVLA-UHFFFAOYSA-N
-rxn:5:178295:228790:222404,COC(=O)C1(c2cc(-c3ccc(C4NC(=O)NC4=O)cc3)ccc2-c2cccc(C(F)F)c2)CCC(=O)CC1,UNPQPSNBSAZGSW-UHFFFAOYSA-N
-rxn:5:178313:225591:223203,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(CN3CCCC3)ccc2F)c(-c2cccc(C3(O)CCC3)c2)c1,LLGUDISNCLAHAE-UHFFFAOYSA-N
-rxn:5:178313:226177:225815,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccnc(C3CCCCC3)c2)c(-c2ccc(C3CC3)cc2C(F)(F)F)c1,WIUJQYCKSWILOV-UHFFFAOYSA-N
-rxn:5:178314:225394:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1-c1cccc(SC2CCCCC2)c1,OVSZNAWUWDWFRI-UHFFFAOYSA-N
-rxn:5:178314:225453:227120,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCCC3)c2)ccc1-c1ccc(C2CCC2)cc1F,RJECIKQYHOUKAO-UHFFFAOYSA-N
-rxn:5:178314:225671:227066,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCCCC3)ncc2F)ccc1-c1cccc(C(=O)C2CC2)c1,QQUBYPAKPHBRAI-UHFFFAOYSA-N
-rxn:5:178314:226150:226060,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCC3)c2)ccc1-c1cc(C2CC2)cc(C2CC2)c1,NGTDJKHRPIJIPG-UHFFFAOYSA-N
-rxn:5:178314:226915:225451,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCC3)cc2)ccc1-c1ccc(SC2CCCCC2)cc1,KMILRTCQTBYRTB-UHFFFAOYSA-N
-rxn:5:178315:225394:226441,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)cc(-c2ccc(N3CCCC3)cc2F)c1,XRQACCGCEOFATM-UHFFFAOYSA-N
-rxn:5:178315:225394:227413,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)cc(-c2cnc(C3CCC3)cc2F)c1,GWRNKXTZWSDVIL-UHFFFAOYSA-N
-rxn:5:178315:225451:227712,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2ccc(OC(F)F)c(F)c2)c1,MZCSIKGTJKXLEX-UHFFFAOYSA-N
-rxn:5:178315:225453:227419,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCCC3)c2)cc(-c2ccc(C3CCC3)nc2F)c1,JBRZMXSWXIDHJU-UHFFFAOYSA-N
-rxn:5:178315:226060:225451,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2cc(C3CC3)cc(C3CC3)c2)c1,VTGIATFFKXWRGL-UHFFFAOYSA-N
-rxn:5:178315:226183:226189,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCC3)c(F)c2)cc(-c2cnccc2C2CCCCC2)c1,IPRJSWDNYZOCJN-UHFFFAOYSA-N
-rxn:5:178353:226794:225639,Cc1cc(S(=O)(=O)Oc2ccc(-c3cccnc3N3CCC(C)CC3)c(C)c2)c(C)cc1-c1cnc(N2CCSCC2)nc1,NOKLQLXXQFRKOR-UHFFFAOYSA-N
-rxn:5:178368:226588:222956,Cc1ccc(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(OC5CCC5)ncc4F)cc3C)cc2C)c(C2CCCNC2)c1,DLHQDVVEXJBEDN-UHFFFAOYSA-N
-rxn:5:178467:222958:223202,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(C)c(C4CCNCC4)c3)c2OC1,NOMNOUMAZJBGAI-UHFFFAOYSA-N
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-rxn:5:178467:223061:228964,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)s3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,DHYNKORVQLEHEG-UHFFFAOYSA-N
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-rxn:5:178467:223064:228197,CCOC(=O)C1=Cc2cc(-c3cnc(C(C)(C)C)nc3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,CSIFAWHBEJIJGS-UHFFFAOYSA-N
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-rxn:5:178467:223240:223010,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3ccc(C4CCNC4)nc3)c2OC1,AMEXPBGSMVGTLJ-UHFFFAOYSA-N
-rxn:5:178467:225600:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3cccnc3OC3CCCCC3)c2OC1,NRECJHYOKCSYNP-UHFFFAOYSA-N
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-rxn:5:178556:222980:226320,N#CC1(c2ccc(F)c(-c3ccc(-c4ccc(CN5CCNCC5)cc4)c(COc4ccc5c(c4)C(=O)CCC5)c3)c2)CC1,OERWYEYKHAHGEL-UHFFFAOYSA-N
-rxn:5:179418:225805:225943,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(C(=O)N3CCOCC3)s2)s1)N1CCOCC1,OIRXOIFCPMOZCV-UHFFFAOYSA-N
-rxn:5:180022:226330:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)ccc(-c2ccc(C(C)N3CCCC3)s2)c1C1OCCO1,CDXVMEGRRKREJX-UHFFFAOYSA-N
-rxn:5:180092:225498:225625,C[Si](C)(C)C#Cc1cc(-c2cc(OC3CCCC3)ccc2F)cc(-c2cc(C3CCCCC3)ccc2F)c1,ACBLPPXEOHORTP-UHFFFAOYSA-N
-rxn:5:180377:222980:225871,CC(C)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc(C(C)C)c1-c1ccc(CN2CCNCC2)cc1,SIMRAWHDXBEEKW-UHFFFAOYSA-N
-rxn:5:180421:223006:227804,O=[N+]([O-])c1cc(-c2ccc(CC3CCCCC3)cc2-c2ccc(F)c(C3CCNCC3)c2)c([N+](=O)[O-])s1,RBTIYTCDSCPKTF-UHFFFAOYSA-N
-rxn:5:180421:225832:227444,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1cncc(C2CCCO2)c1,XCGPXWKDQBLMLY-UHFFFAOYSA-N
-rxn:5:180421:226183:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1cnccc1C1CCCCC1,MZNZIZZIWVYAJW-UHFFFAOYSA-N
-rxn:5:180421:226686:227611,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccnn1C1CCCCO1,ABMGQFDQKQHCHD-UHFFFAOYSA-N
-rxn:5:180506:223251:223134,CC(C)(C)c1cc(-c2ccc3c(c2)OCC(=O)N3)c(-c2cnccc2C2CCCNC2)c(C2OCCO2)c1,XKGCUCIYRHFPOJ-UHFFFAOYSA-N
-rxn:5:180602:225833:226794,COC(=O)C1Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccnc(N4CCCCC4)c3F)c2O1,HYCDZYGIAZMNGS-UHFFFAOYSA-N
-rxn:5:180662:223063:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,GGMPXBLACFDWQF-UHFFFAOYSA-N
-rxn:5:181904:222987:222958,Cc1ccc(-c2c(-c3ccc(C4CCNCC4)nc3C)ccc(C3OCCO3)c2C)cc1C1CCNCC1,AGAIKBZWHYUATA-UHFFFAOYSA-N
-rxn:5:181906:222985:225514,Cc1ccc(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1-c1cccc2c1OCC1(CC1)CO2,PUFOKBAEAWCWEW-UHFFFAOYSA-N
-rxn:5:181908:225407:225805,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1C1OCCO1,VZPPJBPIZSRLBH-UHFFFAOYSA-N
-rxn:5:181908:226183:225805,Cc1cc(-c2cnccc2C2CCCCC2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1C1OCCO1,YLRZASZKMOXIGU-UHFFFAOYSA-N
-rxn:5:182012:222959:226898,Cc1cc(-c2ccc(-c3cn(S(=O)(=O)N(C)C)nc3C)c(C3CCCOC3)c2)ccc1C1CCNCC1,RIWPTSWBZBDFAP-UHFFFAOYSA-N
-rxn:5:182012:225407:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCCCC3)cc2)cc1C1CCCOC1,SYKSLKYFKFCMGC-UHFFFAOYSA-N
-rxn:5:182012:225832:223140,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCCNC3)c2)c(C2CCCOC2)c1,REMMIAMEVPTBRD-UHFFFAOYSA-N
-rxn:5:183190:222404:225874,CC1(C)Cc2c(cc(-c3ccc(F)c(N4CCOCC4)c3)cc2-c2ccc(C3NC(=O)NC3=O)cc2)C1=O,QFAMXJZYCKZYEZ-UHFFFAOYSA-N
-rxn:5:188632:225978:223062,COC(=O)c1nc(OC)c(-c2ccc(N3CCOCC3)nc2F)cc1-c1cnc(C2CCNCC2)cc1F,UCYKDZMQXYSBFH-UHFFFAOYSA-N
-rxn:5:188872:225976:223062,CON(C)C(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cnc(C2CCNCC2)cc1F,LGCNUZFJRAYFKS-UHFFFAOYSA-N
-rxn:5:188873:222996:222957,CON(C)C(=O)c1cc(-c2cc(C)cc(C3CCCNC3)c2)ccc1-c1ccc(F)cc1C1CCCNC1,STNGATZUSBAEDJ-UHFFFAOYSA-N
-rxn:5:188873:222996:222960,CON(C)C(=O)c1cc(-c2cc(C)cc(C3CCNCC3)c2)ccc1-c1ccc(F)cc1C1CCCNC1,TXWUKWYMNMCMFM-UHFFFAOYSA-N
-rxn:5:188874:222996:222957,CON(C)C(=O)c1ccc(-c2cc(C)cc(C3CCCNC3)c2)cc1-c1ccc(F)cc1C1CCCNC1,DOHKJIXOYSAIJN-UHFFFAOYSA-N
-rxn:5:188874:222996:222960,CON(C)C(=O)c1ccc(-c2cc(C)cc(C3CCNCC3)c2)cc1-c1ccc(F)cc1C1CCCNC1,HIAZBNRYOSMMQB-UHFFFAOYSA-N
-rxn:5:188877:226654:223062,CON(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,CFABDOVEEPFREZ-UHFFFAOYSA-N
-rxn:5:188930:223138:222998,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)cc1-c1cc(F)cc(C2CCCNC2)c1,BFIPQWJVNZTPBG-UHFFFAOYSA-N
-rxn:5:188932:227426:222958,COC(=O)c1cc(-c2ccc(C3CCCO3)nc2)c(S(N)(=O)=O)c(-c2ccc(C)c(C3CCNCC3)c2)c1,KLEHBNJIUVEVKS-UHFFFAOYSA-N
-rxn:5:189000:225634:223004,Cc1cc(-c2cc(OC(C)C)c([N+](=O)[O-])cc2-c2ccc(C3CCNCC3)c(F)c2)cnc1N1CCCCC1,HJPIMOITEXSDIE-UHFFFAOYSA-N
-rxn:5:189078:225976:226661,CCN(C)C(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cc(N2CCN(C)CC2)cs1,OFQBITUXYDQLFA-UHFFFAOYSA-N
-rxn:5:189078:225976:226662,CCN(C)C(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(N2CCN(C)CC2)s1,YZJYADSWEUJKFN-UHFFFAOYSA-N
-rxn:5:189078:226661:225976,CCN(C)C(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ccc1-c1ccnc(N2CCOCC2)c1F,OXFWLSQDPAXLQS-UHFFFAOYSA-N
-rxn:5:189078:226662:225976,CCN(C)C(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1-c1ccnc(N2CCOCC2)c1F,GHUNZKLKFIDOLH-UHFFFAOYSA-N
-rxn:5:189079:225784:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(CN3CCOCC3)nc2)c1,CZZFEYUGNNSHSZ-UHFFFAOYSA-N
-rxn:5:189079:225976:226661,CCN(C)C(=O)c1ccc(-c2cc(N3CCN(C)CC3)cs2)c(-c2ccnc(N3CCOCC3)c2F)c1,WJWUCHAETDJHLM-UHFFFAOYSA-N
-rxn:5:189079:226583:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(CN3CCOCC3)s2)c1,WMJGEZVFGKJPLI-UHFFFAOYSA-N
-rxn:5:189079:226583:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(CN3CCOCC3)s2)c1,NZWZZBHSTJCNNH-UHFFFAOYSA-N
-rxn:5:189079:226654:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,NRAPQLUXBXJLHE-UHFFFAOYSA-N
-rxn:5:189079:226654:223064,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,RZRDZSQNYADVMY-UHFFFAOYSA-N
-rxn:5:189079:226654:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2csc(N3CCC(C)CC3)n2)c1,AQDKHOYUGTYLMZ-UHFFFAOYSA-N
-rxn:5:189079:226661:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,YJOPNPIEGCZZEK-UHFFFAOYSA-N
-rxn:5:189079:226661:225982,CCN(C)C(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,QMVYIEXDNBBRMF-UHFFFAOYSA-N
-rxn:5:189079:226662:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,FUGDZGJWGROLRU-UHFFFAOYSA-N
-rxn:5:189079:226662:223064,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,YAAHWVQPTJJDLF-UHFFFAOYSA-N
-rxn:5:189079:226662:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,NWUFLYQLHPLOLC-UHFFFAOYSA-N
-rxn:5:189079:226662:225978,CCN(C)C(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,NFKYLUHNRPVACI-UHFFFAOYSA-N
-rxn:5:189079:226662:225982,CCN(C)C(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,JLHXHFWNJKUNGT-UHFFFAOYSA-N
-rxn:5:189083:226661:225976,CCN(C)C(=O)c1cccc(-c2cc(N3CCN(C)CC3)cs2)c1-c1ccnc(N2CCOCC2)c1F,QCGMBLHMJBBNTJ-UHFFFAOYSA-N
-rxn:5:189083:226662:225976,CCN(C)C(=O)c1cccc(-c2ccc(N3CCN(C)CC3)s2)c1-c1ccnc(N2CCOCC2)c1F,LUXXNSPGYLNQHW-UHFFFAOYSA-N
-rxn:5:189083:226662:225982,CCN(C)C(=O)c1cccc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cnc(N2CCOCC2)cc1F,CUPVZHNJJBHDGE-UHFFFAOYSA-N
-rxn:5:189207:223143:225871,O=C(ON1C(=O)CCC1=O)c1cc(-c2cccc(N3CCC(O)C3)c2)ccc1-c1cccc(N2C(=O)C=CC2=O)c1,MVDXQMHGFFCIEI-UHFFFAOYSA-N
-rxn:5:189209:225633:228864,CCOc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(N4CCCCCC4)nc3)c2)cn1,IVBYJVYTUGEPPA-UHFFFAOYSA-N
-rxn:5:189209:225880:226461,CC(=O)n1ccc2c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cc(C5CCOCC5)ncc4F)c3)cncc21,VFIDDNPGZBKPNZ-UHFFFAOYSA-N
-rxn:5:189209:228235:226432,CC(C)c1c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCCC4)nc3F)c2)ccnc1F,NXDJGQBZHWIQSN-UHFFFAOYSA-N
-rxn:5:189211:225820:228387,COc1cc(=O)n(C)cc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1c(C2CC2)cccc1C(F)(F)F,WMFUGWSMNJHWNN-UHFFFAOYSA-N
-rxn:5:189448:225465:225499,COC1CN(C(=O)c2ccc(-c3cccc(C4CCN(C)CC4)c3)c(-c3ccc(C4CCCCC4)cc3F)c2)C1,VEBZAZGCPGSRAE-UHFFFAOYSA-N
-rxn:5:189671:226771:226593,COC(=O)c1cc(F)c(F)cc1-c1cccc(-c2c(F)ccc(OC(C)C)c2F)c1/C=N/S(=O)C(C)(C)C,VLAUULVMBBRRPP-ZHSUKTGHSA-N
-rxn:5:189718:222409:226332,COc1ccc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2ccccc2C(=O)N2CCC2)cc1S(N)(=O)=O,KAIRUHYJHCKHJB-UHFFFAOYSA-N
-rxn:5:189718:222990:225461,Cc1cc(N2CCCCC2)ccc1-c1cc([N+](=O)[O-])c(OC2CCOCC2)cc1-c1ccc(N2CCC(O)CC2)cc1,UTVCNWRQDXFQEV-UHFFFAOYSA-N
-rxn:5:189827:227777:226320,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)N4CCOCC4)cc3-c3cc(F)c(F)cc3[N+](=O)[O-])c2)CC1,XUEKUIMIYAUWKB-UHFFFAOYSA-N
-rxn:5:189829:225655:225942,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCCC2)cc1-c1cnc(C(C)C)c(C(F)(F)F)c1,VRCCGTCSMCPDNO-UHFFFAOYSA-N
-rxn:5:189829:226827:226342,COC(=O)c1c(C)cc(-c2cc(C(=O)N3CCCC3)cc(-c3ccc(C(F)(F)F)c(C)c3F)c2OC)cc1C,YQWFLMLTZSDHTE-UHFFFAOYSA-N
-rxn:5:189908:226062:226740,CC(C)c1cc(-c2cnc(-c3cccc(C(F)(F)F)c3C#N)c(OCC3CCCCC3)c2)cc(C(C)C)c1,LHEXNKKDHZSRIN-UHFFFAOYSA-N
-rxn:5:189908:226068:227766,CCn1nc(C(F)(F)F)cc1-c1ncc(-c2c(C)cc(C(C)(C)C)cc2C)cc1OCC1CCCCC1,WBZXMORYHOCIKR-UHFFFAOYSA-N
-rxn:5:189908:227501:222958,Cc1ccc(-c2ncc(-c3ccc(C=C[N+](=O)[O-])cc3)cc2OCC2CCCCC2)cc1C1CCNCC1,DZTAKRUCVMGLIE-UHFFFAOYSA-N
-rxn:5:189908:227505:222958,Cc1ccc(-c2ncc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc2OCC2CCCCC2)cc1C1CCNCC1,DZTAKRUCVMGLIE-OBGWFSINSA-N
-rxn:5:189909:225472:226973,CC1CCCCN1c1cccc(-c2ccc(-c3ccc4c(c3)C(C)(C)CO4)cc2CCN2CCOCC2)c1,NDUFVTFPYLWMDB-UHFFFAOYSA-N
-rxn:5:189952:226395:223141,COc1c(-c2cncc(C3CCNCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cncc(N2CCCCC2)c1,QNFDRLGTNNROCM-UHFFFAOYSA-N
-rxn:5:189952:226644:226664,COc1c(-c2cncc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCCC2)ncc1F,KNWDKFRVMKYRAP-UHFFFAOYSA-N
-rxn:5:189952:228308:225671,CCOc1ncc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(C4CCCCC4)ncc3F)c2OC)c(C)n1,LFVVTPGDWFRCLK-UHFFFAOYSA-N
-rxn:5:190000:226150:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3cccc(SC4CCCC4)c3)c2)c1,UOLSBHZXFBGWES-UHFFFAOYSA-N
-rxn:5:190127:227587:226907,COc1cc(-c2ccc(-c3cccc4c3CCC43CC3)c(C(=O)N3CCC(OC)CC3)c2)cc(F)c1OC,ZGEVRWCZMBFYML-UHFFFAOYSA-N
-rxn:5:190132:226907:227562,COc1ccc(F)c(-c2cc(-c3cccc4c3CCC43CC3)ccc2C(=O)N2CCC(OC)CC2)c1OC,AOACYDCYDQSIHZ-UHFFFAOYSA-N
-rxn:5:190195:222417:223065,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(N2CCNCC2)cc1F,FJGCKFUWXNBUEU-UHFFFAOYSA-N
-rxn:5:190197:223294:226580,CN(C)C(=O)c1ccc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3csc(N4CCNCC4)n3)c2)c1,BTRQSMGVVZROJY-UHFFFAOYSA-N
-rxn:5:190197:226583:227297,CN(C)Cc1ccc(F)c(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(CN4CCOCC4)s3)c2)c1,LXJNUKQKANCFOB-UHFFFAOYSA-N
-rxn:5:190201:223113:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)cc3CCN3CCOC(C)C3)c2)CC1,KKSUWKJBVIREKU-UHFFFAOYSA-N
-rxn:5:190231:225980:228712,COc1c(-c2cc(N3CCOCC3)ncc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnn1C1CCC1,NKYJMMWLQXPSCQ-UHFFFAOYSA-N
-rxn:5:190231:226959:227518,COc1ccc(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3ccc4c(c3)CC(C)(C)O4)c2OC)c(F)c1C#N,FENXKPKVCNWHEC-UHFFFAOYSA-N
-rxn:5:190264:227562:227052,COc1ccc(F)c(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2ccc(SC(C)(C)C)cc2)c1OC,SITOZUFDFSTMNS-UHFFFAOYSA-N
-rxn:5:190265:223113:223148,CC1CCCN(C(=O)Cc2ccc(-c3ccccc3C3CNCCO3)c(-c3ccc4c(c3)C(C)(C)C(=O)N4)c2)C1,JFTXRDYXVGHWSN-UHFFFAOYSA-N
-rxn:5:190265:226366:225465,CC1CCCN(C(=O)Cc2ccc(-c3cccc(C4CCN(C)CC4)c3)c(-c3ccnc(N4CCCCC4)c3)c2)C1,SKCZLKOBCPHWIP-UHFFFAOYSA-N
-rxn:5:190307:228181:226029,CCOc1c(F)c(F)c(-c2ccc(-c3ccc(F)cc3COC)cc2CCN2CCC(C)CC2)c(F)c1F,KRDXJBJMNLLPCR-UHFFFAOYSA-N
-rxn:5:190336:225637:226923,COc1c(-c2cc(C)c(C3CC3)cc2C)cc(C(=O)N2CCCC(C)C2)cc1-c1ccccc1N1CCN(C)CC1,UKKHRAXUEJBDAU-UHFFFAOYSA-N
-rxn:5:190418:225653:228125,Cc1cc(-c2ccnc(OC(C)C)c2)ccc1N1C(=O)CC(Cc2ccc(-c3ccc(N4CCCCC4C)nc3)cc2)C1=O,LWVFIGVSYSXIJW-UHFFFAOYSA-N
-rxn:5:190418:227662:225794,Cc1ccc(-c2ccc(CC3CC(=O)N(c4ccc(-c5cnc(OC6CCCCC6)nc5)cc4C)C3=O)cc2)c(C(F)(F)F)c1,ZSDGXLXTDADGID-UHFFFAOYSA-N
-rxn:5:190484:226645:228965,O=C(c1cccc(-c2ccnc(N3CCOCC3)c2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,YLZKYHFDDULRKM-UHFFFAOYSA-N
-rxn:5:190484:227656:227517,O=C(c1cccc(-c2cc(N3CCOCC3)cs2)c1)N1CCC(c2ccccc2-c2ccc(OC3COC3)nc2)S(=O)(=O)CC1,RSGVYKZYWMUGNV-UHFFFAOYSA-N
-rxn:5:190484:228339:223139,COC(=O)c1cnccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C4CCNCC4)nc3)S(=O)(=O)CC2)c1,WKDWDIYJLMSHNI-UHFFFAOYSA-N
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-rxn:5:193808:227507:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2cccc(C=C[N+](=O)[O-])c2)cc1CN1CCC(C)CC1,KTXFWKKIIQMEJS-UHFFFAOYSA-N
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-rxn:5:193809:227507:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2cccc(C=C[N+](=O)[O-])c2)ccc1CN1CCC(C)CC1,HFQYOYQKQWGSJQ-UHFFFAOYSA-N
-rxn:5:193866:227307:223058,Cc1ccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2-c2cc(F)nc(C3CCCNC3)c2)c(OC(C)C)n1,WCVUCYJBINKDRP-UHFFFAOYSA-N
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-rxn:5:193871:225833:223348,O=C1NCc2ccc(-c3ccc(C(=O)N4CCC5(CC4)CC5)cc3-c3ccnc(N4CCCCC4)c3F)cc21,KLJORWXMHCILND-UHFFFAOYSA-N
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-rxn:5:193871:226758:228283,COc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(F)cc2C(C)=O)cc1C(F)(F)F,RWUKDNHFQBJDJN-UHFFFAOYSA-N
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-rxn:5:193967:227803:223294,CN(C)S(=O)(=O)n1nccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2csc(N3CCNCC3)n2)c1,OGBUXWHOEGOTFZ-UHFFFAOYSA-N
-rxn:5:193967:227803:228631,CN(C)S(=O)(=O)n1nccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2ccsc2C2CCC2)c1,JRZSLUZROBQPJP-UHFFFAOYSA-N
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-rxn:5:193972:223240:222980,Cc1cc(-c2ccc(C3CCNC3)nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(CN2CCNCC2)cc1,QKIXAHKAUPXVGN-UHFFFAOYSA-N
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-rxn:5:196408:225407:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCCCCC3)cc2)c1,HSVCWEAHLYEHCM-UHFFFAOYSA-N
-rxn:5:196791:226583:223006,O=C1COCCN1c1cccc(-c2ccc(CN3CCOCC3)s2)c1-c1ccc(F)c(C2CCNCC2)c1,UDWOHAXHLZIRFH-UHFFFAOYSA-N
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-rxn:5:196859:226898:225514,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(C2CCOCC2)ccnc1-c1cccc2c1OCC1(CC1)CO2,PBESJNCIGXZGJN-UHFFFAOYSA-N
-rxn:5:196871:225832:227610,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccn(C3CCCCO3)n2)cc1N1CCOCC1,SDGNYAXCQUAAAQ-UHFFFAOYSA-N
-rxn:5:196873:225976:223064,Fc1nc(C2CCNCC2)ccc1-c1cc(N2CCOCC2)ccc1-c1ccnc(N2CCOCC2)c1F,JVSWWBGNHMOUQJ-UHFFFAOYSA-N
-rxn:5:196917:225452:225584,CC1(C)COC(c2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2-c2ccc(OC3C=CCCC3)cc2)=N1,HNZCLRXJCHSLLQ-UHFFFAOYSA-N
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-rxn:5:197876:223001:227019,CC(C)(C#N)c1cccc(-c2cc3c(cc2-c2cc(C4CCCNC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,POJLKOTUSAGSCX-UHFFFAOYSA-N
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-rxn:5:197876:225395:227749,CC(C)(C)c1cc(-c2cc3c(cc2-c2cc(F)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,REZRWVSGKRRNBY-UHFFFAOYSA-N
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-rxn:5:197876:225499:227819,CCc1cc(CC)cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OSRBBHDTGANNTM-UHFFFAOYSA-N
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-rxn:5:197876:225601:228575,Cc1cc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C#N,AQIOKIGKPZSJGD-UHFFFAOYSA-N
-rxn:5:197876:225602:227815,CCC(C)c1ccccc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,JVPDOYIIFQDAEO-UHFFFAOYSA-N
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-rxn:5:197876:225603:227860,CN1CCc2cc(-c3cc4c(cc3-c3cccc(C5(C#N)CCC5)c3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,SPQZPCPBENJNMR-UHFFFAOYSA-N
-rxn:5:197876:225603:228630,CCc1cc(F)cc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CEDCSTQPGAGSEN-UHFFFAOYSA-N
-rxn:5:197876:225625:227812,CC(C)Cc1cccc(-c2cc3c(cc2-c2cc(OC4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GOFQTQAJDIZVLA-UHFFFAOYSA-N
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-rxn:5:197876:225815:227989,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CC4)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HHPVDTNFRCXPKD-UHFFFAOYSA-N
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-rxn:5:197876:225817:228624,CSc1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)c(C4CC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C,WHKZPEITPDEUBC-UHFFFAOYSA-N
-rxn:5:197876:225819:227966,CC(C)(C)c1ncccc1-c1cc2c(cc1-c1cc(C(F)(F)F)ccc1C1CC1)S(=O)(=O)N(C(C)(C)C)C2=O,WDQRMLZVDIUSQO-UHFFFAOYSA-N
-rxn:5:197876:225820:226946,CN1CCc2cc(-c3cc4c(cc3-c3c(C5CC5)cccc3C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2C1,MQZOJHYVCIQWCQ-UHFFFAOYSA-N
-rxn:5:197876:225820:228792,CSc1ccc(-c2cc3c(cc2-c2c(C4CC4)cccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,BEDLNPWJFJUGCH-UHFFFAOYSA-N
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-rxn:5:197876:225936:227807,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cccc3c1CCCC3)C(=O)N(C(C)(C)C)S2(=O)=O,SPQWJGJEBZOGEL-UHFFFAOYSA-N
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-rxn:5:197876:226031:228003,CSc1cc(C)c(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,OVHQNJCKSXPDMT-UHFFFAOYSA-N
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-rxn:5:197876:226973:227018,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,QNBBNZJYHCDUNN-UHFFFAOYSA-N
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-rxn:5:197876:227079:227072,COc1cc(C2CC2)ccc1-c1cc2c(cc1-c1cc(CC(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YVVIRQMNWXIVSP-UHFFFAOYSA-N
-rxn:5:197876:227079:227309,CCC(C)c1cc(-c2cc3c(cc2-c2cc(CC(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,ARDHBGHCQWKYJF-UHFFFAOYSA-N
-rxn:5:197876:227084:227714,Cc1nc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(SC(F)(F)F)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,DRZXJCBKEQSIOL-UHFFFAOYSA-N
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-rxn:5:197876:227297:226907,CN(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cccc4c2CCC42CC2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,RGUGSYIJUWGIKT-UHFFFAOYSA-N
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-rxn:5:197876:227402:226779,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(C(=O)C(F)(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(F)n1,YIVOJLCOEJPIQY-UHFFFAOYSA-N
-rxn:5:197876:227408:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2cc(C4CCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PGCOXPUIOPSAOM-UHFFFAOYSA-N
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-rxn:5:197876:227415:225939,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C(F)(F)F,PEHAUSLZGQQCNN-UHFFFAOYSA-N
-rxn:5:197876:227447:227019,CC(C)(C#N)c1cccc(-c2cc3c(cc2-c2c(F)ccc(C4CC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PDPYANRJNJFLMW-UHFFFAOYSA-N
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-rxn:5:197876:227673:228499,Cn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1cccc(C(C)(F)F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,BILGKXDKFJCKQJ-UHFFFAOYSA-N
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-rxn:5:197876:227713:225456,CN1CCC(c2ccc(-c3cc4c(cc3-c3cc(F)ccc3OC(F)F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,IDRSSDIIIVVCTN-UHFFFAOYSA-N
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-rxn:4:178597:228986,Cc1cccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1C,XHXIJQQJFAJOIW-UHFFFAOYSA-N
-rxn:4:178738:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cc(Cl)ccc3C(=O)C(F)F)c2)CC1,YASAJEGWNFOIEQ-UHFFFAOYSA-N
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-rxn:4:186997:223660,COC(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1CN1CCC(F)(F)C1,WDSAHXSDARWOQF-UHFFFAOYSA-N
-rxn:4:187008:225007,COC(=O)c1ccc(-c2cccc(CN3CCCCC3)c2F)c(CN2CCC(F)(F)C2)c1,HKTOUXIMFYVVJP-UHFFFAOYSA-N
-rxn:4:187053:222540,CC(C)N(C(=O)c1cccc(F)c1-c1cccc(C(=O)NCCN2CCCCC2)c1)C(C)C,BKJPZRXJKLWXCI-UHFFFAOYSA-N
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-rxn:4:187116:224763,Cc1cc(-c2cc(Cl)ccc2C(=O)N2CCOCC2)c(OCC2CCOCC2)c([N+](=O)[O-])c1,YAENNLGZPSWJID-UHFFFAOYSA-N
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-rxn:4:187134:222820,COc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(F)c2)c(OC)c1C(=O)N1CCOCC1,AJOKXZGXRLSFEM-UHFFFAOYSA-N
-rxn:4:187157:224412,O=C(CS(=O)(=O)c1cccc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1)N1CCCC(F)(F)C1,YMFRKINQJVFLPO-UHFFFAOYSA-N
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-rxn:4:187168:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccncc3CO[Si](C)(C)C(C)(C)C)cnc21,IZGDTGLZHMXPIY-UHFFFAOYSA-N
-rxn:4:187181:222543,CC1CCCN(C(=O)COc2cccc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)c2)C1,PRAUZLNWEGDGNG-UHFFFAOYSA-N
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-rxn:4:187225:224970,CC1CCN(C(=O)c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)c(OC(F)F)c2)CC1,CQSNPEJHBKTKBO-UHFFFAOYSA-N
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-rxn:4:187307:225269,COC(=O)c1ccc(-c2cc([N+](=O)[O-])c(C)cc2OCC2CCCCC2)c(C(=O)OC)c1,HIRYFLCJSJTIKM-UHFFFAOYSA-N
-rxn:4:187327:223185,CC(C)(C)OC(=O)N1[C@@H](c2cccc(-c3cnc(C4CNCCO4)nc3)c2)COS1(=O)=O,CSOMJDOSCJZBBU-QNSVNVJESA-N
-rxn:4:187359:222440,COC(OC)C1CCN(c2ccc(-c3ccc(S(=O)(=O)NCc4ccco4)cc3C(F)(F)F)cc2)CC1,TVUKBPOMDDUYBD-UHFFFAOYSA-N
-rxn:4:187371:222845,CCN(C(=O)c1c(F)cccc1-c1ccc(C(C)N2CCNCC2)cc1)C1CCCCC1,GJRJZHKCMHMLEG-UHFFFAOYSA-N
-rxn:4:187373:223077,COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1-c1ccc(S(=O)(=O)NC2CC2)cc1,BEUQNWCUNFJWQE-UHFFFAOYSA-N
-rxn:4:187439:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)co2)cc1,IGVKUIVTLVQAOQ-YMXDCFFPSA-N
-rxn:4:187451:223814,O=C(c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1)c1cccc(CN2CCCC2)c1,CFXJAVFVSOAXJD-UHFFFAOYSA-N
-rxn:4:187483:222514,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)c(OC)c1,VJGOYJZYNNADCK-UHFFFAOYSA-N
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-rxn:4:187509:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(C(=O)c4ccc(CN5CCOCC5)cc4)c3)cc2)CC1,HIMGJKNXFPEMAG-KWQFAZJVSA-N
-rxn:4:187544:222788,COc1cc(-c2ccc(NC(=O)OC(C)(C)C)cc2F)cc(OC)c1CN1CCCCC1C,UOXVHFPEWQLTMZ-UHFFFAOYSA-N
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-rxn:4:187561:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,BOMMMSGBRJDNQK-UHFFFAOYSA-N
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-rxn:4:187588:222388,CC(C)(C)OC(=O)N1CCC(F)(c2ccc(-c3cccc(NC(=O)Nc4ccc([N+](=O)[O-])cc4)c3)cc2)CC1,XCKIQUJVZAEBFV-UHFFFAOYSA-N
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-rxn:4:187597:223183,CNS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c2)c(C)c1,APFVNMLDDNBPFX-UHFFFAOYSA-N
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-rxn:4:187634:222621,CC(C)Cc1cc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCCNC2)n1,DJXRFPIVLAZEKJ-UHFFFAOYSA-N
-rxn:4:187658:225379,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)cc1C,VQLIHICOZIJNAE-UHFFFAOYSA-N
-rxn:4:187658:226018,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2ccc(SC)c(OC(F)(F)F)c2)c(C)cc1C,DXNHZFPIVAVZRP-UHFFFAOYSA-N
-rxn:4:187659:224160,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cc2)CC1,HVESATJCZPPMGH-UHFFFAOYSA-N
-rxn:4:187659:226252,CCCCOc1cc(Cl)ccc1-c1ccc(C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1,RWBOPRPYXHAXAC-UHFFFAOYSA-N
-rxn:4:187667:224078,Cc1c(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)cccc1C1CCCN(C(=O)OC(C)(C)C)C1,RTSRXOWLWCIHSZ-UHFFFAOYSA-N
-rxn:4:187682:224690,O=C1CCN(Cc2ccc(-c3cccc(C(=O)c4ccc(CN5CCC6(CC5)OCCO6)cc4)c3)c(F)c2)CC1,QLHLNYBMOUPVCJ-UHFFFAOYSA-N
-rxn:4:187691:223113,CC1(C)C(=O)Nc2ccc(-c3ccc(C(=O)c4cccc(CN5CCC6(CC5)OCCO6)c4)c(F)c3)cc21,NJQMAVGXVQXINZ-UHFFFAOYSA-N
-rxn:4:187695:227086,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccnc(C4CCCC4)c3)c2)CC1,ANGZQEHFNJICOZ-UHFFFAOYSA-N
-rxn:4:187821:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc3c2CN(CC(=O)OC(C)(C)C)C3=O)cc1F,MUAQJBFWQDOUAH-UHFFFAOYSA-N
-rxn:4:187885:223590,COc1ccc(CN2Cc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4C)cc(F)c3C2=O)c(OC)c1,COZZRDRFKMPBFD-UHFFFAOYSA-N
-rxn:4:187916:226056,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1c2c(cc3c1CCC3)CCC2,NFLBICUFYURKEH-UHFFFAOYSA-N
-rxn:4:187917:223685,COc1ccc(-c2ccc(OC(F)(F)F)c(OCc3cccnc3)c2)c(C(=O)N2C3CCC2CC(SC)C3)c1,CPUZJVFELORBOK-UHFFFAOYSA-N
-rxn:4:187942:224488,CC(C)N(C(=O)c1ccc(-c2cccc3c2cc([Si](C)(C)C)n3C(=O)OC(C)(C)C)cc1)C(C)C,VLMADORUCJFLAD-UHFFFAOYSA-N
-rxn:4:187955:224572,CC1CCCN(c2ccc(-c3ccccc3C=C3Oc4cc(OC(=O)N5CCOCC5)ccc4C3=O)c(C#N)c2)C1,RERFPLCRYSCMNL-UHFFFAOYSA-N
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-rxn:4:188013:224182,Cc1cc(-c2ccc(C(=O)Oc3ccc(N4C(=O)C5C6CCC(C6)C5C4=O)cc3)cc2)ccc1OCCN1CCOCC1,IDPIHSDYDPRNQT-UHFFFAOYSA-N
-rxn:4:188061:223480,CCOC(=O)c1cc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)on1,LUBGOAZCXJKIAZ-UHFFFAOYSA-N
-rxn:4:188140:223539,COc1ccc(-c2cc(OC(F)F)cc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,CYOSHWBESYYARH-UHFFFAOYSA-N
-rxn:4:188490:223559,COC(=O)c1ccnc(C(F)(F)F)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,QNLVHNZPGAROQJ-UHFFFAOYSA-N
-rxn:4:188780:223575,COC(=O)c1cc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc(C#N)c1C,MKZZCWJDJNVRKP-UHFFFAOYSA-N
-rxn:4:188809:223507,COC(=O)C(C)c1ccncc1-c1ccccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,AXEKFRHTSQJVRC-UHFFFAOYSA-N
-rxn:4:189377:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc(Cl)c(C(=O)N2CC(C(F)F)C2)c1,NPJWINQZQVBGRL-UHFFFAOYSA-N
-rxn:4:189464:222725,CCNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CC(C(F)F)C2)c(C(F)(F)F)c1,ZJPKTBRROICTDI-UHFFFAOYSA-N
-rxn:4:189630:223559,COC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc(C(C)(C)C)n1,GRYITLGTSDZMEJ-UHFFFAOYSA-N
-rxn:4:189678:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C(=O)N(C)C3CCCC3F)o2)c1,UUMUOFOBOGDQSN-UHFFFAOYSA-N
-rxn:4:189849:223526,CC(C(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1)N1C(=O)CCC1=O,JGFBECKRGBGRTA-UHFFFAOYSA-N
-rxn:4:189865:223973,COc1c(Cl)cc(C(=O)N2CCC(F)(F)C2)cc1-c1ccc(N2CCCC(C)C2)cc1C(F)(F)F,UKYLIIOBGVCYJH-UHFFFAOYSA-N
-rxn:4:189866:225304,CC(C)(C)c1ncc(C(F)(F)F)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,UXNNGVQBSGVZOH-UHFFFAOYSA-N
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-rxn:4:189918:224350,O=[N+]([O-])c1ccc(-c2cnc(C3CCCCC3)c(C(F)(F)F)c2)cc1OC1CCCCC1,MZEBIYRSCLUHBP-UHFFFAOYSA-N
-rxn:4:189936:224015,COc1cc(-c2cc(S(=O)(=O)N3CCOCC3)c(C)cc2F)ccc1CN1CCC(F)(F)C1,WCJYPSGKVXOAMD-UHFFFAOYSA-N
-rxn:4:189996:223649,Cc1c(/C=N/S(=O)C(C)(C)C)cccc1-c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,QTOCLBKSMKEUHQ-TURZUDJPSA-N
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-rxn:4:190140:222655,COC(=O)c1cc(F)c(N2CCCCC2)cc1-c1ccc(C(=O)NC2CCCCC2)c(Cl)c1,FRRIFUUAZRUJGI-UHFFFAOYSA-N
-rxn:4:190145:222744,CC(C)(C)OC(=O)NCc1ccccc1-c1ccc(F)cc1CCN1CCCC(F)(F)C1,NLDALAUOQKJJQY-UHFFFAOYSA-N
-rxn:4:190152:223835,CCC(C)N1C(=O)SC(=Cc2cccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)c2)C1=O,XSAVKQXOONWVQM-UHFFFAOYSA-N
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-rxn:4:190228:222695,Cc1ccc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)NC1CCCC1,PPLFTHFFIXRNCZ-UHFFFAOYSA-N
-rxn:4:190228:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(C2CCCN2S(=O)(=O)C2CC2)cc1,FEJRIUZHALBXPF-UHFFFAOYSA-N
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-rxn:4:190322:224582,CCS(=O)(=O)N1CCC(c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cc2)CC1,QNGMXYVIRBTUIU-UHFFFAOYSA-N
-rxn:4:190325:222826,CS(=O)(=O)c1cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)ccc1CN1CCCCC1,NUJDPIYDTGNIBY-UHFFFAOYSA-N
-rxn:4:190340:224411,CC(c1cccc(-c2ccc(S(=O)(=O)N(C)C)cc2C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,NSQQUTPOEZBFIW-UHFFFAOYSA-N
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-rxn:4:190356:225094,CCCOc1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2C(F)(F)F)cc(Cl)c1OCC,PFTHNTVIKYQBQK-UHFFFAOYSA-N
-rxn:4:190394:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(F)c(N3CCCC(C(=O)C(C)C)C3=O)c2)cc1,FRLJPFXXGAVVFM-UHFFFAOYSA-N
-rxn:4:190406:223918,CN(C(=O)c1ccc(F)c(-c2ccc(N([Si](C)(C)C)[Si](C)(C)C)cc2)c1)C1CCCCC1,WHVUQKSBSOYRME-UHFFFAOYSA-N
-rxn:4:190443:222886,COc1cc(C)c(-c2ccc(N3CCNCC3)cc2C#N)cc1S(=O)(=O)N1CCCCC1C,UKOGSEDTHKQQDH-UHFFFAOYSA-N
-rxn:4:190451:223181,CCNS(=O)(=O)c1cccc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)c1,SUFOQURAGXHRIP-UHFFFAOYSA-N
-rxn:4:190463:226754,CCOc1c(F)cc(F)c(-c2cc(C)c(S(=O)(=O)N3CC(C)OC(C)C3)cc2OC)c1F,NXGKIMXXHKPKAC-UHFFFAOYSA-N
-rxn:4:190472:223891,CCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1-c1c(F)ccc2c1ccn2[Si](C)(C)C(C)(C)C,OCWHUPYNZWWQRF-UHFFFAOYSA-N
-rxn:4:190490:223539,COc1ccc(-c2ccccc2C(=O)N2CCSC(c3ccccc3C)CC2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,BBIWGHMIFRYIRJ-UHFFFAOYSA-N
-rxn:4:190493:222854,COc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1CCC(c2ccccc2)S(=O)(=O)CC1,SMKAKDVUAHWFPH-UHFFFAOYSA-N
-rxn:4:190802:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3c(ccn3C(=O)OC(C)(C)C)cc2F)c(C(F)(F)F)c1,KPQXVFOSDLZWMG-UHFFFAOYSA-N
-rxn:4:190897:224761,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1,USCSRAXXYWSFQV-UHFFFAOYSA-N
-rxn:4:190900:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)cc1,VGDOZXCZWLUUJV-UHFFFAOYSA-N
-rxn:4:190905:222902,COC(=O)CNC(=O)c1cccc(-c2ccc3c(c2F)N(C(=O)OC(C)(C)C)CCO3)c1,SWQNOUIORCQDGA-UHFFFAOYSA-N
-rxn:4:190909:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OC(=O)N4CCOCC4)c4ccccc34)cn2)CC1,OUMYEMKMDRFHOK-UHFFFAOYSA-N
-rxn:4:190927:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3=O)ccc1F,YYRBZPMXCTXAGV-UHFFFAOYSA-N
-rxn:4:190934:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)CC3)cc1,URGGNCOTSKZQGN-UHFFFAOYSA-N
-rxn:4:190952:222613,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c1,HBEURBUSDPNFOF-UHFFFAOYSA-N
-rxn:4:190966:224410,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)c2F)C1,ZUPQUMNGIOUITM-UHFFFAOYSA-N
-rxn:4:190976:224725,CCN(CC)S(=O)(=O)c1cc(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)ccc1C,HNWOQBBRSGWQHB-UHFFFAOYSA-N
-rxn:4:190985:224818,COC1CC2CCC(C1)N2C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c1,XAHRFNWVAYJHQB-UHFFFAOYSA-N
-rxn:4:191008:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)ccc1F,LNOUIFDHHYCMLI-UHFFFAOYSA-N
-rxn:4:191008:224893,CC(C)(C)OC(=O)N1C(=O)c2cc(-c3cc(C(C)(C)C)nc(C(C)(C)C)c3)ccc2C1(C)C,NJOBILDIPKVGLY-UHFFFAOYSA-N
-rxn:4:191062:223135,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccnc1C1CCCNC1,MNORCIQLMKVTHG-UHFFFAOYSA-N
-rxn:4:191062:226187,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc(C2CCOCC2)c1,MOGKLGPEVTWCQY-UHFFFAOYSA-N
-rxn:4:191062:227119,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cc(C2CCCCC2)cs1,CNRNMCLKYRZGKD-UHFFFAOYSA-N
-rxn:4:191067:225172,O=S(=O)(c1ccc2c(c1)CCO2)N1CCSC1c1ccc(F)c(-c2cc(CN3CCOCC3)ccc2F)c1,YPBRMFNOPGWQQW-UHFFFAOYSA-N
-rxn:4:191069:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cc(F)c2c(c1)N(CCC1CCCCC1)CCO2,ISZCMJQYTXEXTB-UHFFFAOYSA-N
-rxn:4:191082:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)c(C1OCCO1)cn2S(=O)(=O)c1ccc(C)cc1,VRVQTLTYXUTWEZ-UHFFFAOYSA-N
-rxn:4:191087:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,VUNKVVBMAYCRIS-UHFFFAOYSA-N
-rxn:4:191087:225100,CCN(CC)C(=O)c1cc(F)cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,CITBDIVKZZNVSC-UHFFFAOYSA-N
-rxn:4:191088:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)c(C(F)(F)F)c1,BBROOGFFFNEQKY-UHFFFAOYSA-N
-rxn:4:191090:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)c1,FDCYLCVXBKKLCN-UHFFFAOYSA-N
-rxn:4:191092:224277,CC(C)(C)OC(=O)N1Cc2cc(-c3ccnc4c3ccn4C(=O)OC(C)(C)C)ccc2CC1(C)C,ZFRFRFAWVHESOW-UHFFFAOYSA-N
-rxn:4:191093:222938,Cc1cc(CC(=O)N2CC3CCCCC3C2)ccc1-c1cccc(C(=O)NCC(F)(F)F)c1,YRTQVZPFPMEFHJ-UHFFFAOYSA-N
-rxn:4:191097:223891,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)cc21,HJBWJPODZJBQKV-UHFFFAOYSA-N
-rxn:4:191108:225123,COc1ccc(-c2ccncc2OCC2CCCCO2)c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1,DNHSKLMJLCKJQN-UHFFFAOYSA-N
-rxn:4:191124:223775,COc1ccc2c(c1)c(-c1ccc3c(c1)C1(CC3)CCN(C(=O)OC(C)(C)C)CC1)cn2C(=O)OC(C)(C)C,KMEBYXTYLBMTMZ-UHFFFAOYSA-N
-rxn:4:191130:227014,CC(C)CSc1cccc(-c2ccc3c(c2)OC2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1,KYIUAMKAQGPGGY-UHFFFAOYSA-N
-rxn:4:191137:222747,COc1ccc(N2C(=O)C3C(c4ccccc4-c4ccc(C(=O)NCC5CCCO5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,XACQJRRLSRTSFJ-UHFFFAOYSA-N
-rxn:4:191173:224189,COc1cc(-c2cccc(C(=O)Oc3cc4c5c(c3)C(C)=CC(C)(C)N5C(=O)C4=O)c2)ccc1O[Si](C)(C)C(C)(C)C,NNVDQJBUIZTSEP-UHFFFAOYSA-N
-rxn:4:191187:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(F)cc2)N(CC2CCCO2)C4=O)c(F)c1,SVAZNLDHINRNEX-UHFFFAOYSA-N
-rxn:4:191195:223287,CNS(=O)(=O)c1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)cc1,HEZQUMBYOLEUGV-UHFFFAOYSA-N
-rxn:4:191195:227124,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(C(C)(C)C)cc1F)c1c2CCC1,ZXEQXYQOEFNFCA-UHFFFAOYSA-N
-rxn:4:192209:223608,N#Cc1ccc(C2COC2)c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)c1,QPWMSRUYFLACMY-UHFFFAOYSA-N
-rxn:4:192231:223699,O=S(=O)(c1ccc(-c2cc(C(F)(F)F)ncc2C2CC2)c(C(F)(F)F)c1)N1CCOCC1,LZLXJQKLSGJFQD-UHFFFAOYSA-N
-rxn:4:192518:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(C(C)C)nc(C(F)F)c3)cc21,RVWWJEXITXZICQ-UHFFFAOYSA-N
-rxn:4:192563:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(Cl)cc(C(=O)N4CCC4)c3)cc2)CC1,FZJXCBCLFVYBSB-UHFFFAOYSA-N
-rxn:4:193014:223697,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cc1S(=O)(=O)N(C)C,HNZLCZXIZMMMNG-UHFFFAOYSA-N
-rxn:4:193131:222624,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N=C3C=CC(=O)C=C3)cc2)cc(C2CCNCC2)n1,PZAOOEUJAXLMPX-UHFFFAOYSA-N
-rxn:4:193262:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C3CCCC3)nc2C(F)(F)F)cc1,HAUGCCIRECWHMM-UHFFFAOYSA-N
-rxn:4:193297:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cc(C(F)(F)F)ccc1N1CCC(F)(F)C1,PZYGAVNNQXAJAM-UHFFFAOYSA-N
-rxn:4:193386:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)c(F)c1,MDZGZWHROFZNKD-UHFFFAOYSA-N
-rxn:4:193518:222624,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1,NODQNKXXCYPOLP-UHFFFAOYSA-N
-rxn:4:193518:224959,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(OCC3CCCCO3)cc2)cc1,VFRREFHSRAJDHD-UHFFFAOYSA-N
-rxn:4:193518:224968,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C)ccc2OCC2CCCO2)cc1,CALKGLHFHJDTQJ-UHFFFAOYSA-N
-rxn:4:193631:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCC(F)(F)C2)cc1C,QNANUEKUJXNINN-UHFFFAOYSA-N
-rxn:4:193635:223502,Cc1c(-c2cccc(S(C)(=O)=O)c2)cncc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,FRORTOPICPGSNF-UHFFFAOYSA-N
-rxn:4:193648:225111,COc1ccc(-c2cc(N3CCC(F)(F)CC3)cc(C(F)(F)F)c2)c(F)c1OCC(C)C,IHMZWIFOXOHBDF-UHFFFAOYSA-N
-rxn:4:193671:223491,COc1cc(N2CCCCC2)ccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,VZQPGKPJFMSBCQ-UHFFFAOYSA-N
-rxn:4:193689:224169,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(OCCCN2CCOCC2)c1,PTAJBICWTNYMAI-UHFFFAOYSA-N
-rxn:4:193759:223648,CC1CCCCN1C(=O)c1ccc(F)c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,OTMXTUHCCGNYAA-UHFFFAOYSA-N
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-rxn:4:202521:226896,COCn1cc(-c2ccc([N+](=O)[O-])c3c2CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)n1,NAWPJCXBLWTATP-UHFFFAOYSA-N
-rxn:4:202522:224195,CCOC(=O)c1cnc2c(-c3ccc(Cl)c(CN4CCN(CC)CC4)c3)cccc2c1N1CCCC1,AYUWHYHDPKRFEI-UHFFFAOYSA-N
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-rxn:4:202598:222889,CCCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cc(F)cc(CN4CCNCC4)c3)ccc21,FVYSYVXICJUNQM-UHFFFAOYSA-N
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-rxn:4:202678:222725,CCNS(=O)(=O)c1ccc(-c2cc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)cn2)c(C(F)(F)F)c1,AATJPSLEPSQDJN-UHFFFAOYSA-N
-rxn:4:202685:222816,COc1ccc(-c2ccc3c(ccn3CCC(=O)N3CCC4(CC3)OCCO4)c2)cc1S(=O)(=O)NC(C)C,MLGOCSGFMVDXBX-UHFFFAOYSA-N
-rxn:4:202685:226844,O=C(CCn1ccc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21)N1CCC2(CC1)OCCO2,FSHRTTNALGJRMP-UHFFFAOYSA-N
-rxn:4:202729:223110,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3ccc(CNC(C)(C)C)cc3)ccc21,YIDSOFLVKGMEEF-UHFFFAOYSA-N
-rxn:4:202807:224125,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1,GJQKGKLSAPBCOS-UHFFFAOYSA-N
-rxn:4:202818:224485,Cc1ccc(C2Oc3ccc(-c4ccn([Si](C(C)C)(C(C)C)C(C)C)c4)cc3C3CC(c4ccc(OC(C)C)cc4)=NN32)cc1,GNLPNKCSHRKWLO-UHFFFAOYSA-N
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-rxn:4:203776:222861,CCCCNC(=O)c1cc(-c2cc(F)c([N+](=O)[O-])c(N3CCC(OC)CC3)c2)ccc1F,VNRXYMKXBGEQNL-UHFFFAOYSA-N
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-rxn:4:203893:222522,COc1ccc(-c2cncc(CC3CCCN(S(C)(=O)=O)C3)c2)cc1S(=O)(=O)N1CCC(O)CC1,GDWUKSNXBTZFEC-UHFFFAOYSA-N
-rxn:4:203894:223638,CN1CCN(S(=O)(=O)Cc2cccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c2)CC1,UDSSDFGRUZXTMA-UHFFFAOYSA-N
-rxn:4:203895:224462,CCS(=O)(=O)N1CCN(c2ccccc2-c2ccc(C3CCN(C4CC4)CC3)cc2)CC1,FCKXLJONZGKACI-UHFFFAOYSA-N
-rxn:4:203900:224713,CCCCOc1ccc(-c2cc(C(=O)N3CCN(C)CC3)ccc2OC)c(C(F)(F)F)c1,AATGVCUPABEDAL-UHFFFAOYSA-N
-rxn:4:203906:225186,COC(=O)c1cc(F)c(N2CCN(C)CC2)cc1-c1ccc(F)c(CN2CCSCC2)c1,BVTVUJVTXRDEPR-UHFFFAOYSA-N
-rxn:4:203942:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cc(C=C2C(=O)N(C)C(=S)N2C)c(OC)cc1OC,WUGGESGCGWDQSH-UHFFFAOYSA-N
-rxn:4:203967:224187,CN(C)C1CCN(C(=O)c2cc(-c3ccc(OCCN4CCCCC4)cc3F)ccc2Cl)CC1,YIYCQROZAFGADQ-UHFFFAOYSA-N
-rxn:4:203968:224890,CN(C)C1CCN(C(=O)c2ccc(-c3cc(C4CC4)cc(N4CCCC4)c3)c(F)c2)CC1,DLROBNAUQBHLNJ-UHFFFAOYSA-N
-rxn:4:203968:225053,CC1CCCCN1c1ccc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)cc2F)c(F)c1,HLULEFHMHGETLU-UHFFFAOYSA-N
-rxn:4:203972:222960,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc(C)cc(C4CCNCC4)c3)c(C)c2)CC1,SUUBTQSDABZNQY-UHFFFAOYSA-N
-rxn:4:204010:223840,COc1ccc(-c2cccc(CC3CCCN(S(C)(=O)=O)CC3)n2)cc1S(=O)(=O)N1CCN(C)CC1,CPPHRHOXZTYRRI-UHFFFAOYSA-N
-rxn:4:204012:222730,CCCc1cc(-c2cccc(S(=O)(=O)N3CCC(N(C)C)CC3)c2)cc(C2CCNCC2)n1,RZOJWRPRMJCZKR-UHFFFAOYSA-N
-rxn:4:204013:225008,COC1CCN(c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N(C)C)CC3)cc2)CC1,LBCMTLUCJGGPAE-UHFFFAOYSA-N
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-rxn:4:204037:223974,CC1CCN(c2ccc(-c3cc(N4CCC(N(C)C)CC4)ccc3C(F)(F)F)c(C(F)(F)F)c2)CC1,ZCHUIYVSEPDBFN-UHFFFAOYSA-N
-rxn:4:204046:228448,O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(F)F)cc2Cl)CC1,OJHMWXOSEKKQMF-UHFFFAOYSA-N
-rxn:4:204054:222508,O=C(NCc1ccc(F)cc1)c1ccc(Cl)c(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)c1,BZQJCTJKRTWCFT-UHFFFAOYSA-N
-rxn:4:204101:222890,COc1cc(-c2cccc(C(=O)N3CCC(N4CCCC4)CC3)c2)cc(C2CCCNC2)n1,UQVZBCJDIYUTKA-UHFFFAOYSA-N
-rxn:4:204114:222723,O=C(c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)o1)N1CCCN(C2CCSCC2)CC1,LTWZNLGSSCJAHR-UHFFFAOYSA-N
-rxn:4:204131:223739,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)c2ccccc12,QYLOEBDZDZWVHA-UHFFFAOYSA-N
-rxn:4:204135:225984,O=S(=O)(c1ccccc1-c1cnc(Cl)c(N2CCOCC2)c1)N1CCCN(C2CCSC2)CC1,UROBFGBKMAFEAB-UHFFFAOYSA-N
-rxn:4:204142:222951,CC(=O)Nc1cc(C(F)(F)F)c(-c2ccc(CN3CCOC(C)C3)c(N3CCOCC3)c2)cn1,ATHGHPJGZGGBRK-UHFFFAOYSA-N
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-rxn:4:204159:225114,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1csc(CO[Si](C)(C)C(C)(C)C)c1,PXSTYIHLBMTCPE-UHFFFAOYSA-N
-rxn:4:204169:223138,CC1CN(Cc2ccc(-c3ccnc(C4CCNCC4)c3)cc2N2CCCCC2)CCO1,SKDPNVSBZNVSJI-UHFFFAOYSA-N
-rxn:4:204169:223185,CC1CN(Cc2ccc(-c3cnc(C4CNCCO4)nc3)cc2N2CCCCC2)CCO1,YVGVPRQXLHFJDY-UHFFFAOYSA-N
-rxn:4:204170:222968,CC(C)CNC(=O)c1ccc(-c2ccc(CN3CCCCC3C)c(N3CCCCC3)c2)cc1,CEIPQFWTDMLPEY-UHFFFAOYSA-N
-rxn:4:204173:222849,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1ccc(C2CCNCC2)c(C#N)c1,CTJGNXMAAAGNGV-UHFFFAOYSA-N
-rxn:4:204416:225559,O=C(N1CCc2cc([N+](=O)[O-])c(-c3ccc(OCC4CCOC4)cc3)cc2C1)C(F)(F)F,GVAWKDRMCLFPBO-UHFFFAOYSA-N
-rxn:4:204578:223530,COC(=O)c1cc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc2nn(C3CCCC3)cc12,FSPPHMGDGXPWBU-UHFFFAOYSA-N
-rxn:4:204581:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cn(C(=O)OC(C)(C)C)c4c(=O)n(C)ccc34)c3ccccc23)CC1,PHUHQIFGRDSHRE-UHFFFAOYSA-N
-rxn:4:204596:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1,MUHROJHLWUCRKH-KRWDZBQOSA-N
-rxn:4:204603:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cncc3c2CCN(C(=O)OC(C)(C)C)C3)c1,UHOGZULJPXTUFK-UHFFFAOYSA-N
-rxn:4:204606:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cc3c(nc2Cl)CN(C(=O)OC(C)(C)C)CC3)cc1,UPZZIUHXWZVHKM-UHFFFAOYSA-N
-rxn:4:204653:224119,COCCN1C(=O)C(=C2C(=O)N(C)c3ccc(-c4cc(OCc5ccccc5)ccc4OC)cc32)SC1=S,ROMKTAYPQRMQSU-UHFFFAOYSA-N
-rxn:4:204659:225367,CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(-c3cnc(N4CCC(F)(F)CC4)nc3)cnc12,ABDOLBYSPQTZTG-UHFFFAOYSA-N
-rxn:4:204683:222725,CCNS(=O)(=O)c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)c(C(F)(F)F)c1,VZEHPGAFGKRDOO-UHFFFAOYSA-N
-rxn:4:204705:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1ccc(N2C(=NC(=O)C3CC3)SC3CS(=O)(=O)CC32)c(Cl)c1,MLHFZEMZPPPMTL-UHFFFAOYSA-N
-rxn:4:204722:224188,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2Cl)c1,MYWIYIMGUWQEPO-UHFFFAOYSA-N
-rxn:4:204753:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc(N3C(=NC(=O)c4ccccc4)SC4CS(=O)(=O)CC43)cc1)n2C(=O)OC(C)(C)C,SCPCJODQKNRENK-UHFFFAOYSA-N
-rxn:4:204779:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2ccc(CN3C(=O)N(c4cc(F)ccc4F)S(=O)(=O)c4ccccc43)cc2)cc1F,IUTPGADRZADWPT-UHFFFAOYSA-N
-rxn:4:204780:223027,CCCNC(=O)c1cc(F)cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,NOLOJEYQMSGMMF-UHFFFAOYSA-N
-rxn:4:204785:226506,CCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cc(OCC4CC4)ncc3F)ccc21,KOFJUOATEQRVII-UHFFFAOYSA-N
-rxn:4:204790:224763,COc1ccc(N2C(=O)N(c3ccc(-c4cc(Cl)ccc4C(=O)N4CCOCC4)cc3)C3CS(=O)(=O)CC32)cc1,YNQCDJJKGHFTRE-UHFFFAOYSA-N
-rxn:4:204835:222722,O=C(C1=CN(c2ccc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,IFOANRNYYJEOPV-UHFFFAOYSA-N
-rxn:4:204835:223279,O=C(C1=CN(c2ccc(-c3cnc(C4CCCN4)nc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,LGBRGWPHBHAQKY-UHFFFAOYSA-N
-rxn:4:204874:224985,O=C1C2C(c3ccc(-c4ccc(C5CC5)c(-n5cccn5)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,UUDAUEWOULMNEA-UHFFFAOYSA-N
-rxn:4:204895:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3[nH]c4c(c3c2)CCN(C(=O)OC(C)(C)C)C4)cc1,YGRREVACMHDFDO-UHFFFAOYSA-N
-rxn:4:204895:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3[nH]c4c(c3c2)CCN(C(=O)OC(C)(C)C)C4)cc1,NZNAWJXBMXQAQH-UHFFFAOYSA-N
-rxn:4:205415:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(C4COC4)nc3C#N)c2Cl)CC1,MFFOJWVCBRXSHV-UHFFFAOYSA-N
-rxn:4:205655:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C(=O)N4CCC4)c3)s2)CC1,GMNAAGIGLOIBEZ-UHFFFAOYSA-N
-rxn:4:205749:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(N4CC(F)(F)C4)ccc3C#N)cc2)CC1,IRQFHKQQVDSMJF-UHFFFAOYSA-N
-rxn:4:206250:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(C#N)ccc3N3CCC(F)(F)C3)c2)CC1,RKQIRDNPCXUDFV-UHFFFAOYSA-N
-rxn:4:206367:223541,N#Cc1c(C2CCOCC2)ccnc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,YGFCVHANLCLOMX-UHFFFAOYSA-N
-rxn:4:206516:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1S(=O)(=O)NC1CCCC1,TWALEHVNPXRLFH-UHFFFAOYSA-N
-rxn:4:206522:223835,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCSCC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,JPAAAMPNSKKCTQ-UHFFFAOYSA-N
-rxn:4:206524:223810,Cc1cc(-c2cncc(S(=O)(=O)N3CCOCC3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,LICPIBZWPSHNEM-UHFFFAOYSA-N
-rxn:4:206674:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cn(C2CCOC2)c(C(C)C)n1,IAPADJLBNCOWAB-UHFFFAOYSA-N
-rxn:4:206797:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(C4CN(S(C)(=O)=O)CCO4)nc3)cc2)CC1,UTKWAZUUCHQJKR-UHFFFAOYSA-N
-rxn:4:206898:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cn(C2CCCCO2)c(C(C)C)n1,XPAITEFJOQSZAY-UHFFFAOYSA-N
-rxn:4:206901:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(CN2CCCN(C)CC2)o1,WJHDFXRTYWGSNC-UHFFFAOYSA-N
-rxn:4:206955:222584,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)CC1,WLNYUEAZKRURPY-UHFFFAOYSA-N
-rxn:4:206959:222693,CS(=O)(=O)N1CCN(c2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2)CC1,NFGWWLZDDVMGKT-UHFFFAOYSA-N
-rxn:4:206981:223902,Cc1cc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)cnc1N1CCC(C(F)(F)F)CC1,NWQKZWQYXWOOQA-UHFFFAOYSA-N
-rxn:4:207064:223054,Cc1cc(-c2ccc(C(C)N3CCC(O)C3)s2)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,OIROFZJGPRUWSO-UHFFFAOYSA-N
-rxn:4:207080:224992,O=C1CCN(Cc2ccccc2-c2cncc(C(=O)N3CCC4(CC3)OCCCO4)c2)CC1,UQKJTTZBQUOHAC-UHFFFAOYSA-N
-rxn:4:207461:222538,CCn1ncc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1C12COCCC1O2,CBZMTFBGMPJVFW-UHFFFAOYSA-N
-rxn:4:207779:224349,O=S(=O)(c1ccc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc1)N1CCN2CCC1CC2,RJMVHPMTIUFYDV-UHFFFAOYSA-N
-rxn:4:207831:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(-c4nc5sccn5c4C=C4C(=O)OC(C)(C)OC4=O)cc3)c2)CC1,JHGXFTYTMFFXFO-UHFFFAOYSA-N
-rxn:4:207832:225290,CCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4cc(OC(C)C)cc(C(F)(F)F)c4)cc3)C2=O)c2ccccc21,BZHSSISNRVCNLR-UHFFFAOYSA-N
-rxn:4:207854:223056,OC1CCN(c2ccc(-c3ccc4c(c3)CCN4C3CCN(C4CCC4)CC3)cn2)CC1,SCDBDURVSIAHLH-UHFFFAOYSA-N
-rxn:4:207890:223637,Cc1c(-c2ccccc2C2CCCN(C(=O)OC(C)(C)C)C2)cnn1CC12CC3CC(CC(C3)C1)C2,AMMJLMSJQIKRLH-UHFFFAOYSA-N
-rxn:4:207959:225208,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCC(C)C5)nc4C)ccc2OC3C2CCCCC2)cc1,DCMCNCJKGNQWPG-UHFFFAOYSA-N
-rxn:4:209494:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc(N4CCS(=O)(=O)CC4)n3)cc2[N+](=O)[O-])CC1,TXIPWPSXBOYXJX-UHFFFAOYSA-N
-rxn:4:209896:224586,CC1CCN(Cc2ccc(F)cc2-c2cnn(C3CCOC4(CCOCC4)C3)c2)CC1,HEZLIPWMIFVBLQ-UHFFFAOYSA-N
-rxn:4:210592:223687,CC(=O)N1CCOc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cnc21,AVNMOPOYELUCOW-UHFFFAOYSA-N
-rxn:4:210681:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C4=CSC5=NCCN45)cc3)cn2)C1,RWGAPFYPAIRINI-UHFFFAOYSA-N
-rxn:4:211060:222716,CN1CCN(C2CCCc3cc(-c4ccc(S(=O)(=O)NC5CCCC5)c(F)c4)ccc32)CC1,NBAKCGHJJLEPQP-UHFFFAOYSA-N
-rxn:4:211068:224188,CC(C)N(C(=O)c1ccc(-c2ccc3c(c2)N2CCCC2=C(C#N)S3(=O)=O)c(Cl)c1)C(C)C,LXKWUSNEQLKNLE-UHFFFAOYSA-N
-rxn:4:211089:224647,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)c1,YPVJICUQSUMZJI-UHFFFAOYSA-N
-rxn:4:211096:222584,Fc1cc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCCC2)O3)ccc1OCCCN1CCNCC1,OKTVOFXWKJHQQP-UHFFFAOYSA-N
-rxn:4:211099:225607,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)N5CCCCC5)s4)ccc2OC32CCCC2)cc1,FATUVBLDLGAQQW-UHFFFAOYSA-N
-rxn:4:211101:222839,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(NCC5CCCCC5)nc4)ccc2OC32CCC(C)CC2)cc1,FBDFLRITSFXLCH-UHFFFAOYSA-N
-rxn:4:211101:223137,Cc1ccc(C2=NN3C(C2)c2cc(-c4cncc(C5CCCNC5)c4)ccc2OC32CCC(C)CC2)cc1,RWQGBOCCVVLWIG-UHFFFAOYSA-N
-rxn:4:211101:225828,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCCCC5)nc4)ccc2OC32CCC(C)CC2)cc1,RWRFOKVJYIWJQW-UHFFFAOYSA-N
-rxn:4:212554:223818,CC(C)(C)OC(=O)n1ccc2c(-c3cnc(OC4CCN(C(=O)COc5ccc(Cl)cc5)C4)nc3)c(F)cc(F)c21,QDVPQUNMEXMSHU-UHFFFAOYSA-N
-rxn:4:212584:225574,COC(=O)c1cc(C2CC2)ccc1-c1cn(C)nc1CN(C(=O)OC(C)(C)C)C(C)C,CTKPVMMLPXIDIX-UHFFFAOYSA-N
-rxn:4:212593:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)c1,OEWPZWHSESRFPZ-UHFFFAOYSA-N
-rxn:4:212606:223042,CC(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)NC(C)C)c(Cl)c3)cn2)C1,BUFYDJNYFQWWDT-UHFFFAOYSA-N
-rxn:4:212606:226011,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cc(F)ccc3OCC(F)(F)F)cn2)C1,UFSRNKPFLUQWBM-UHFFFAOYSA-N
-rxn:4:212637:223638,CN(C(=O)c1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)nc1)C1CCN(C(=O)OC(C)(C)C)C1,ZRAVEZMVPRQFJS-UHFFFAOYSA-N
-rxn:4:212666:222852,COc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cccc(CN5CCC(O)CC5)c4)cn3)CC2)cc1,UNIRFZAVJMBTAK-UHFFFAOYSA-N
-rxn:4:212666:222853,COc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(CN5CCC(O)CC5)cc4)cn3)CC2)cc1,LCDOBOFHEYDHRG-UHFFFAOYSA-N
-rxn:4:212667:222852,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(CN5CCC(O)CC5)c4)cn3)C2)cc1,ARRSOVDADVKQAR-UHFFFAOYSA-N
-rxn:4:212667:222853,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(CN5CCC(O)CC5)cc4)cn3)C2)cc1,MSLHCZYBKUKCDT-UHFFFAOYSA-N
-rxn:4:212675:223883,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-],WMTFXDGKWDZHMS-UHFFFAOYSA-N
-rxn:4:212710:224718,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3)CC2)c1C,NOHBOPYYOGVSQN-UHFFFAOYSA-N
-rxn:4:212711:223682,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4c(C(F)(F)F)ccc5c4cnn5C4CCCCO4)o3)CC2)nn1,PWCRYSORLGIOQQ-UHFFFAOYSA-N
-rxn:4:212731:226662,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(N6CCN(C)CC6)s5)cc4)C3)n2)c1,SPOOOOPWZNUFEV-UHFFFAOYSA-N
-rxn:4:212750:225970,Cc1nccn1-c1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c2)cnc1Cl,JTUZSNBXMOWZOG-UHFFFAOYSA-N
-rxn:4:212814:229136,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2cc(F)cc(Cl)c2)C1(C)C,LQFXRWYEILCHQJ-UHFFFAOYSA-N
-rxn:4:212822:223508,COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccc(-c5ccc(N6CCN(S(=O)(=O)c7ccc(Cl)cc7)CC6)nc5)cc43)CC2)cc1,RFKGFBUTBRSEPQ-UHFFFAOYSA-N
-rxn:4:212848:222572,CC(C)(C)OC(=O)N1CCc2c(c3ccc(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)nc3n2C(=O)OC(C)(C)C)C1,REILNGPQDKTOLQ-UHFFFAOYSA-N
-rxn:4:212849:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccccc3C(=O)N(Cc3ccccc3)c3nnc(C45CC6CC(CC(C6)C4)C5)s3)cn2)CC1,ZAWYDUBXIKSPMR-UHFFFAOYSA-N
-rxn:4:212902:222717,Cc1cc(-c2cn(C)nc2CN(C)C(=O)OC(C)(C)C)c(S(=O)(=O)NC(C)(C)C)cc1F,MZKQWBPDQRDIRS-UHFFFAOYSA-N
-rxn:4:212939:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(CC3CN(C(=O)OC(C)(C)C)C3)nc2)CC1,WDXVBIICUGFZGY-UHFFFAOYSA-N
-rxn:4:212973:224763,O=C(CN1CCOC1=O)N1CCC(Oc2ncccc2-c2cc(Cl)ccc2C(=O)N2CCOCC2)C1,NEGAFNVTIOLOJQ-UHFFFAOYSA-N
-rxn:4:212984:222696,O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2ccncc2-c2ccc(F)c(C(=O)N3CCC(O)CC3)c2)C1,ABCHHKLQOIIHRJ-UHFFFAOYSA-N
-rxn:4:212989:225977,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cc(Cl)cnc3N3CCOCC3)s2)CC1,KWNBNDBVFBLIMZ-UHFFFAOYSA-N
-rxn:4:213037:223973,CC(C)CCN1CCC(Oc2ncc(-c3ccc(N4CCCC(C)C4)cc3C(F)(F)F)cn2)CC1,NQUFLXVQFUFDHL-UHFFFAOYSA-N
-rxn:4:213041:226237,CN(C)CCOc1ccccc1-c1cnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cn1,CWTAUTDKBLVFBX-UHFFFAOYSA-N
-rxn:4:213053:222969,O=C(NCC1CC1)c1ccc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)cc1,VJXJLQPWBGUJHL-UHFFFAOYSA-N
-rxn:4:213073:225329,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2ccc(OCC(F)(F)F)c(C#N)c2)CC1,OUNIKXHGPQAHBP-UHFFFAOYSA-N
-rxn:4:213078:228461,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cccnc3OC(F)F)c2C(F)F)CC1,KDPMFMCGKWSOKR-UHFFFAOYSA-N
-rxn:4:213079:224971,CN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)CC1,RMUMNQZMBKUHDQ-UHFFFAOYSA-N
-rxn:4:213080:225898,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)CC1,DRWVABNUCSDGAS-UHFFFAOYSA-N
-rxn:4:213093:223184,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCNCC4)nc3)c(C#N)c2)CC1,QIYMYNILQRRNNR-UHFFFAOYSA-N
-rxn:4:213099:223888,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)c2C(F)(F)F)CC1,HDKJKTADGRZBFL-UHFFFAOYSA-N
-rxn:4:213111:223651,COc1cccc(C(=O)N2CCC(Oc3ncc(-c4ccc(C5CCN(C(=O)OC(C)(C)C)C5)nc4C)cn3)CC2)c1,SFRLXVPJGFPGRL-UHFFFAOYSA-N
-rxn:4:213113:224199,CC(=O)N1CCN(Cc2ccc(-c3cnc(OC4CCCN(S(=O)(=O)Cc5ccc(Cl)cc5)C4)nc3)cc2)CC1,STBMNNYUWHMDKU-UHFFFAOYSA-N
-rxn:4:213134:225566,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCC4(C)COC4)cc3)cn2)CC1,DINCTWFDORJAFN-UHFFFAOYSA-N
-rxn:4:213138:225898,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnn(CCN4CCOCC4)c3)cnc2F)CC1,GMQVXVPANOELSM-UHFFFAOYSA-N
-rxn:4:213139:224931,CCN(CC)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc(C2CC2)n1,WWHTYJYUTTUAFG-UHFFFAOYSA-N
-rxn:4:213142:225318,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3c(F)cc(N4CCOCC4)cc3F)c2[N+](=O)[O-])CC1,WOOCURHWKSUHBJ-UHFFFAOYSA-N
-rxn:4:213182:223812,Cc1ccc(CC(=O)N2CCC(Oc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)cc1,YDPRIWDQOUAFTI-UHFFFAOYSA-N
-rxn:4:213195:223945,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,GUGMOJTWMZXMJC-UHFFFAOYSA-N
-rxn:4:213206:223567,CCOc1ccc(N2CC(c3nc(-c4ccc(-c5cc6cc(OC(C)C)ccc6n5C(=O)OC(C)(C)C)cc4)no3)CC2=O)cc1,SZPRNEDZRWYQCD-UHFFFAOYSA-N
-rxn:4:213213:223279,CN(c1cccc(-c2cnc(C3CCCN3)nc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,UFHPBDHNDGVTIZ-UHFFFAOYSA-N
-rxn:4:213226:222808,CC(C)NC(=O)c1cc(-c2cccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)c2)cc([N+](=O)[O-])c1,LKZISWNFBBOERX-DEOSSOPVSA-N
-rxn:4:213272:224818,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)C1,KRHZQBAQOHZQIK-UHFFFAOYSA-N
-rxn:4:213290:224494,O=C(N1CCCC(Oc2ncc(-c3ccc(CCOC4CCCCO4)cc3)cn2)C1)C1(c2ccccc2)CCOCC1,RAVOXYPEUBGRIU-UHFFFAOYSA-N
-rxn:4:213364:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cccnc2OC2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)CC1,QRDCAXYKBDRXLH-UHFFFAOYSA-N
-rxn:4:213373:223754,CC1CCN(CCCOc2ccc(-c3cccnc3OC3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)cc2Cl)CC1,QALVSUXWMMWOHS-UHFFFAOYSA-N
-rxn:4:213413:223506,CC1CN(C(=O)c2cc3cc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3[nH]2)CCN1C(=O)OC(C)(C)C,NXPCKMWIZCXONP-UHFFFAOYSA-N
-rxn:4:213451:228955,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(F)c(F)cc5Cl)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GACTZJPWXIYQDL-UHFFFAOYSA-N
-rxn:4:213480:222655,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)NC5CCCCC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OLCVEWRXCGGKMP-MBDGOUTESA-N
-rxn:4:213480:222723,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZFEHOHWIJFSWQI-WKGIXAQJSA-N
-rxn:4:213480:223065,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCNCC5)cc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,PNHLSRBVCLQBGR-CPPXEKLYSA-N
-rxn:4:213480:224403,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCOCC5)c(C(F)(F)F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,HXGJCRKMZQZCOH-UCKIBBKRSA-N
-rxn:4:213580:224155,CN1CCN(c2cc(-c3cnn(CC4CCN(CC(F)F)C4)c3)cc(C3CC3)c2)CC1,LDXQNMYAGWVVJL-UHFFFAOYSA-N
-rxn:4:213617:223901,CC1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(Oc5nncs5)CC4)o3)cc2Cl)CC1,WTRAKXLNWNZTJS-UHFFFAOYSA-N
-rxn:4:213645:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C(=O)N2CC(Cn3cc(Cl)cn3)C2)c(F)c1,IZTBQLDPJNRUQU-UHFFFAOYSA-N
-rxn:4:213723:222584,CCN1CCN(C(=O)Cc2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,PDQHNXKXRRQLHE-UHFFFAOYSA-N
-rxn:4:213759:224718,CC(C)(C)OC(=O)N1CCCC1c1cnc(-c2ccc(OCCN3CCOCC3)nc2)cn1,LHHPQCQJXFBJOU-UHFFFAOYSA-N
-rxn:4:213781:223928,Cc1csc(CN2CCN(C(=O)c3ccc(-c4cnc5c(c4)CN(C(=O)OC(C)(C)C)CC5)o3)CC2)n1,CQMMHHKQDBWIRE-UHFFFAOYSA-N
-rxn:4:213798:224663,CN1CCN(Cc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)cn3)cc2F)CC1,ZTMGAPQWLDBVDN-UHFFFAOYSA-N
-rxn:4:213803:225898,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2cnn(CCN3CCOCC3)c2)cn1,BKGVUIDZSVNOAB-UHFFFAOYSA-N
-rxn:4:213805:224718,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,ZPLRLFGMSHHYKU-UHFFFAOYSA-N
-rxn:4:213805:225977,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,CMHDNGBBQGJSGF-UHFFFAOYSA-N
-rxn:4:213819:223503,CN(C1CN(c2ccccn2)C1)S(=O)(=O)c1ccccc1-c1c(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1F,DTISWKMBURPQKK-UHFFFAOYSA-N
-rxn:4:213871:225090,CCOCc1cc(OC)c(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)nc2)c(OC)c1,CIYVINUYDDKNLR-UHFFFAOYSA-N
-rxn:4:213879:225976,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccnc(N3CCOCC3)c2F)CC1,BBXDGCHTBVMOAU-UHFFFAOYSA-N
-rxn:4:213884:224598,COc1cc(N2CCC(C)CC2)ccc1-c1nccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1,XJRLWLUPYJVMAA-UHFFFAOYSA-N
-rxn:4:213894:224759,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,OSWVWPQSHJLXGA-UHFFFAOYSA-N
-rxn:4:213895:223886,CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cnc(C3CCCCN3C(=O)OC(C)(C)C)nc2)C1,CVQYDOVVYGCAFV-UHFFFAOYSA-N
-rxn:4:213910:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cccnc3OC3CCN(S(=O)(=O)N4CCOCC4)C3)cn2)C1,HFEOKFQLCRRHDK-UHFFFAOYSA-N
-rxn:4:213931:223897,Cc1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1OCCCN1CCOCC1,SROPRXCGSAHENU-UHFFFAOYSA-N
-rxn:4:213943:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cn[nH]c2C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1,RQBAERWIZFJDNZ-UHFFFAOYSA-N
-rxn:4:213945:225351,COC(=O)c1c(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)cccc1C(F)(F)F,MPMKPRCRJYLNOY-UHFFFAOYSA-N
-rxn:4:213973:224672,CCN1CCN(c2ccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)CC1,MOAFRXIKCCLNKD-UHFFFAOYSA-N
-rxn:4:214007:224193,CCN1CCN(Cc2cc(-c3ccc(C(=O)N4CCC(N(C)c5ccccn5)CC4)cc3)ccc2F)CC1,YKANBMCYZRGCKD-UHFFFAOYSA-N
-rxn:4:214027:222657,O=C(NC1CCCCC1)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)ccc1F,AJYKNZIZDVAWDV-UHFFFAOYSA-N
-rxn:4:214038:224886,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(CN5CCC(C)CC5)cc4)cn3)C2)cc1C,NXYIJADWIABKLM-UHFFFAOYSA-N
-rxn:4:214051:225827,CC(C)c1sc(-c2ccnc(N3CCN(C)CC3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,MZYAKIPPBAWBNC-UHFFFAOYSA-N
-rxn:4:214059:226274,CC(C)Oc1ccc(-c2ccc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)nc2)cc1C#N,UZJCIUHVAWAPLV-UHFFFAOYSA-N
-rxn:4:214109:224253,CCOC(=O)c1cnc2c(-c3ccc(F)c(C(=O)N4CCCCC4C)c3)c(C)nn2c1C(F)(F)F,OYQLGSLZQBDBSN-UHFFFAOYSA-N
-rxn:4:214212:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)o3)c2)CC1,LLJYEWHLNKVUEO-UHFFFAOYSA-N
-rxn:4:214273:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3ncn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,AAHNSHXIHCFKEO-FQEVSTJZSA-N
-rxn:4:214322:224669,CN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)cc3)c(F)c2)CC1,KLNUNMDBSLLTDO-UHFFFAOYSA-N
-rxn:4:214335:224414,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccccc2-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)CC1,SREVCKOENQMBAD-UHFFFAOYSA-N
-rxn:4:214338:223042,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4c(-c5ccc(C(=O)NC(C)C)c(Cl)c5)cccc43)C2=O)cc1,XCJALLSJJQTLGC-UHFFFAOYSA-N
-rxn:4:214377:223596,CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)s1,SAUWRWOTGSLUDS-UHFFFAOYSA-N
-rxn:4:214379:222947,O=C(c1ccc(-c2cnc(N3CCCC(O)C3)nc2Cl)o1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1,ZFCJKWACNUHOST-UHFFFAOYSA-N
-rxn:4:214655:225291,CC(C)Oc1cc(C(F)(F)F)ccc1-c1cnn(C(C)C(=O)N2CCC(F)(F)CC2)c1,JPAAPWFEIFGOGV-UHFFFAOYSA-N
-rxn:4:214679:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2cn(C)nc2CN2CCC(C(F)(F)F)CC2)c1,SVCPEOOLIXRQER-UHFFFAOYSA-N
-rxn:4:214681:223671,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCCCC2C(F)(F)F)n1,VLVKPCSKDSUZGS-UHFFFAOYSA-N
-rxn:4:214700:222538,CCN1CCN(Cc2cncc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c2)CC1,KKBHYHNINISMHY-UHFFFAOYSA-N
-rxn:4:214711:224651,CCS(=O)(=O)N1CCN(c2ccc(-c3c(F)cccc3O[Si](C)(C)C(C)(C)C)cn2)CC1,PDWHAMCIVKHJDL-UHFFFAOYSA-N
-rxn:4:214731:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccnc1N1CCN(S(=O)(=O)C2CC2)CC1,QSUOLICZBVWZAM-UHFFFAOYSA-N
-rxn:4:214753:224672,CCN1CCN(c2ccc(-c3cnc(C(=O)N4CCN(C(C)C)CC4)c(Cl)c3)c(Cl)c2)CC1,FSTKZKWLCFASNZ-UHFFFAOYSA-N
-rxn:4:214818:226231,CCCCOc1ncc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)cc1C,VDDQQRXURDOVQF-UHFFFAOYSA-N
-rxn:4:214820:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(F)c1,PYFAJQUDQFGFSQ-UHFFFAOYSA-N
-rxn:4:214820:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(F)c1,YFQSSQXCFKXHOC-UHFFFAOYSA-N
-rxn:4:214835:227249,CCCOc1ccc(Cl)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,SEAKCXBYEZOFMV-UHFFFAOYSA-N
-rxn:4:214838:226474,CN(C)CCOc1cncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,LWZYBQPTGVXLKQ-UHFFFAOYSA-N
-rxn:4:214873:227252,CCCOc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1Cl,QSXATLMTBIWRNV-UHFFFAOYSA-N
-rxn:4:214873:227464,CCCCSc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cn1,SNLQRUGHPPYUDP-UHFFFAOYSA-N
-rxn:4:214886:224432,O=C(C1CCN(c2ncc(-c3cccc(OCCc4ccccc4)c3)cc2F)CC1)N1CCC(F)(F)CC1,NZYIJNMXAMNAFY-UHFFFAOYSA-N
-rxn:4:214891:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(-c4nc(C5CC(=O)N(C6CCCCC6)C5)no4)c3)ccc2C)CC1,LXWKPGPIIQPFOQ-UHFFFAOYSA-N
-rxn:4:214892:223813,Cc1cc(C)cc(N2CC(c3nc(-c4ccc(-c5ccc(CN6CCC7(CC6)OCCO7)c(F)c5)cc4)no3)CC2=O)c1,VRKMRORBFKSRET-UHFFFAOYSA-N
-rxn:4:214896:227881,CCCOc1ccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C)c2)cc1,XNAVTWWDJIHJIP-UHFFFAOYSA-N
-rxn:4:215054:222867,CC(C)(C)OC(=O)Nc1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)cc1,IGXUULBUCISUOD-UHFFFAOYSA-N
-rxn:4:215059:224834,CN(C)S(=O)(=O)n1cc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)n1,IALQUVQZQFPLRP-UHFFFAOYSA-N
-rxn:4:215061:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)c1,SRQUXTQLEKMDIT-UHFFFAOYSA-N
-rxn:4:215062:222655,CC(C)(C)OC(=O)N1CCn2c(cnc2-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)C1,PGEIEEGJNXVWLX-UHFFFAOYSA-N
-rxn:4:215063:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CC3)cc1,SACSSSFUGLTMBT-UHFFFAOYSA-N
-rxn:4:215064:223810,Cc1cc(-c2nc3c([nH]2)CN(C(=O)OC(C)(C)C)CC3)cc(C)c1S(=O)(=O)N1CCC(C)CC1,VXTWTPMYRVELLB-UHFFFAOYSA-N
-rxn:4:215096:224970,CC1c2cnc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)n2CCN1C(=O)OC(C)(C)C,CJXDEIZAFFGOPX-UHFFFAOYSA-N
-rxn:4:215148:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)c1,FSUIVWJSQPLBCP-UHFFFAOYSA-N
-rxn:4:215153:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(CN2CCC3CN(c4ccccn4)CC32)o1,REZYOSJEXZAEGW-UHFFFAOYSA-N
-rxn:4:215170:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,LHKCSXMXJWSJHU-UHFFFAOYSA-N
-rxn:4:215188:226866,O=C1N(c2ccc(-c3cc(Cl)cc(OC(F)(F)F)c3)cc2)C2CS(=O)(=O)CC2N1c1ccc([N+](=O)[O-])cc1,NEJCZHLRHSBPAO-UHFFFAOYSA-N
-rxn:4:215216:225272,CCOC(=O)C(F)(F)c1ccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1,IIAUFVOVFJPSOB-UHFFFAOYSA-N
-rxn:4:215250:223958,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(-c3ccc(C(=O)N4CCN(CC)CC4)c(F)c3)ccc1-2,RPYCIQYMRWNWEK-UHFFFAOYSA-N
-rxn:4:215288:223917,COc1ccc2[nH]c3c(c2c1)CCN(C1CC(=O)N(c2ccc(-c4cc(F)cc(C(=O)N(C)C5CCCCC5)c4)cc2)C1=O)C3,XYPUQLXFRYZVPM-UHFFFAOYSA-N
-rxn:4:215802:222514,COc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2)cc1S(=O)(=O)NC1CCCCC1,KXXIHZBLFHQVEY-UHFFFAOYSA-N
-rxn:4:215956:222584,CN(C)C1CCN(c2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,GTKQHQBARMRXRK-UHFFFAOYSA-N
-rxn:4:216208:223504,COc1nccc2c(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)nn(C3CCCCO3)c12,VXRHCLHIYCGHJC-UHFFFAOYSA-N
-rxn:4:216341:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2ccc(N3C(=O)CC(N4CCc5c([nH]c6ccccc56)C4)C3=O)cc2)ccn1,XZBPXZLBONXLFL-UHFFFAOYSA-N
-rxn:4:217082:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cncnc2N2CCOCC2)CC1,YKTLKJCSKRGDBQ-UHFFFAOYSA-N
-rxn:4:217865:223846,C=C1CC2CCC(C1)N2c1ncc(-c2cc(C)cc(C3CC4CCC3(C)C4(C)C)c2)cn1,PTZJZPHUQKUDKO-UHFFFAOYSA-N
-rxn:4:217889:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)cc2F)CC1,VDKIFVADSDMCFY-UHFFFAOYSA-N
-rxn:4:218585:224686,N#Cc1ccc(CN2CCC(COc3ncc(-c4ccc(C(=O)N5CCCCC5)cc4F)cn3)CC2)c(F)c1,FAQPMIYGJWYFGB-UHFFFAOYSA-N
-rxn:4:218589:223056,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(N5CCC(O)CC5)nc4)cn3)C2)cc1,GVYCYBMAGSTDRE-UHFFFAOYSA-N
-rxn:4:218606:224484,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccccc3C(=O)N(C(C)C)C(C)C)cn2)C1,SXCGVIGNMFPEOB-UHFFFAOYSA-N
-rxn:4:218607:223898,COc1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(N(C(=O)OC(C)(C)C)C(C)C)cc4)cn3)C2)cn1,LSUYRLIJKFGQHE-UHFFFAOYSA-N
-rxn:4:218607:224759,COc1ccc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)cn1,JWUSPQBOSWDQQL-UHFFFAOYSA-N
-rxn:4:218621:222854,COc1ccc(C2CCCNC2)cc1-c1cnc(OC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)nc1,PEORDBDEWMYHJJ-UHFFFAOYSA-N
-rxn:4:218621:225782,N#Cc1cc(-c2cnc(OC3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)C3)nc2)ccc1-n1ccnc1,ILPXHINAKNUHBE-UHFFFAOYSA-N
-rxn:4:218629:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)Cc5c(C)noc5C)C4)nc3)c2)CC1,OCQDRCHFRWKWAI-UHFFFAOYSA-N
-rxn:4:218662:224572,CC1CCCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5cccc(N(C)C)c5)CC4)nc3)c(C#N)c2)C1,HGSNCCDOPHECHT-UHFFFAOYSA-N
-rxn:4:218689:223979,COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccccc4-c4cc(C(=O)N5CCCCC5)cc([N+](=O)[O-])c4)CC3)[nH]n2)cc1,UIDHGCKBUBKBOC-UHFFFAOYSA-N
-rxn:4:218701:222679,COc1cccc(CC(=O)N2CCCN(c3cc(-c4ccc(-c5cc(NC(=O)OC(C)(C)C)ccc5OC)cc4)n[nH]3)CC2)c1,DXYULOAEGLMYNG-UHFFFAOYSA-N
-rxn:4:218710:225040,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccccc4Oc4cccc(F)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,BIPWDHVMDKILKM-UHFFFAOYSA-N
-rxn:4:218711:227635,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4ccco4)nc3)CC2)CC1,FIRVEMUGMOLVLW-UHFFFAOYSA-N
-rxn:4:218713:228863,COCCn1cc(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)c2C)cn1,HJOORHOICCAVPI-UHFFFAOYSA-N
-rxn:4:218745:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(C(=O)Cn5c(=O)oc6ccccc65)C4)nc3)ccc2F)CC1,YCYMORQLZGHUKE-UHFFFAOYSA-N
-rxn:4:218750:223593,CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)no2)c1=O,ULHGKMKFRBZNKN-UHFFFAOYSA-N
-rxn:4:218785:225975,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccnc(N4CCOCC4)c3Cl)cc1-2,YBVOCLAALHMNJI-UHFFFAOYSA-N
-rxn:4:218804:222514,COc1ccc(-c2cnn(CC3CN(Cc4cccc(C#N)c4)C3)c2)cc1S(=O)(=O)NC1CCCCC1,SRNOBVHKOWEMPO-UHFFFAOYSA-N
-rxn:4:218814:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cccc(-n4nnn(CC(=O)OC(C)(C)C)c4=O)c3)cnc21,IDRGWJXJBCYIPE-UHFFFAOYSA-N
-rxn:4:218822:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(C(=O)N2CCCC(Oc3nccnc3C#N)C2)o1,WBYHMVRWOZHCCV-UHFFFAOYSA-N
-rxn:4:218857:222898,COC(=O)CNC(=O)c1ccc(-c2cnccc2OC2CCN(C(=O)c3cn(C)nc3C(F)F)C2)cc1,GMKLEOBGRCVGMK-UHFFFAOYSA-N
-rxn:4:218867:225446,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C)cc(OC4CCCC4)c3)c2)no1,GBDJLMBMZZPPJS-UHFFFAOYSA-N
-rxn:4:218867:226174,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(C4CCCCC4)nc3)c2)no1,DGVLMOMYMKIVIW-UHFFFAOYSA-N
-rxn:4:218867:226186,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccccc3C3CCOCC3)c2)no1,QOACWHOSICNWDE-UHFFFAOYSA-N
-rxn:4:218868:226590,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OC4CCOC4)nc3)cc2)no1,FMRGETCEVRXHER-UHFFFAOYSA-N
-rxn:4:218868:227390,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnn3C3CCCCC3)cc2)no1,BZBQGCMCJGEKOY-UHFFFAOYSA-N
-rxn:4:218885:223787,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)CC1,HPUQBZRDNFKMMS-UHFFFAOYSA-N
-rxn:4:218886:222634,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,VKKXPBFUBSUIEQ-UHFFFAOYSA-N
-rxn:4:218903:223118,CCCC(=O)Nc1cccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)c1,BCPWHJAVJONTHC-UHFFFAOYSA-N
-rxn:4:218909:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(OCC3CCCN(Cc4ccccn4)C3)nc2)CC1,JRNMFDGYNBKAGK-UHFFFAOYSA-N
-rxn:4:218920:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cncc(C(=O)N3CCC(Oc4ncc(OC)cn4)CC3)c2)c(Cl)c1,AEGKNQQIQQSAGW-UHFFFAOYSA-N
-rxn:4:218921:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3CCC(=O)N3CCN(c4ncc(F)cn4)C(=O)C3)s2)CC1,FVHBBXIROUEFCT-UHFFFAOYSA-N
-rxn:4:218943:222647,Cc1cc(-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)C3)cn2)c(C)cc1NC(=O)OC(C)(C)C,IBSONEXZXSXJKR-UHFFFAOYSA-N
-rxn:4:218972:222585,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccccc4C(=O)NCCN4CCOCC4)cn3)C2)s1,WIWHAKKNHJKRDE-UHFFFAOYSA-N
-rxn:4:218991:223534,Cn1cc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,JJCTZHRYAWBHQI-UHFFFAOYSA-N
-rxn:4:219000:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN(CCn3ncccc3=O)CC2)cc1,VCGFHDXAYNDPGF-UHFFFAOYSA-N
-rxn:4:219002:223602,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)c1=O,BFXFARFDKVQYDB-UHFFFAOYSA-N
-rxn:4:219002:224764,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)cc4F)cn3)C2)c1=O,PUCFYEHACPNXQK-UHFFFAOYSA-N
-rxn:4:219012:227212,CCCCOc1ncccc1-c1cnc(N(C)C2CCCN(C(=O)OC(C)(C)C)C2)nc1,JHLDPZOJEIJPNX-UHFFFAOYSA-N
-rxn:4:219013:224517,CC1CN(c2c(-c3c(F)cccc3OCc3ccccc3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,SNHJMGHHZWJXSX-UHFFFAOYSA-N
-rxn:4:219013:224983,CC1CN(c2c(-c3ccc(C4CC4)cc3-n3cccn3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,OIAFBROIGXVMPB-UHFFFAOYSA-N
-rxn:4:219013:225148,COc1cc(-n2cc(C)cn2)ccc1-c1cncc([N+](=O)[O-])c1N1CCN(C(=O)OC(C)(C)C)C(C)C1,WLHBMNHAHJKBFE-UHFFFAOYSA-N
-rxn:4:219027:224992,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2ccccc2CN2CCC(=O)CC2)cnn1C,OMZWQWHSWWOZMV-UHFFFAOYSA-N
-rxn:4:219035:222519,CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1,GRVQMJBKFKQUNR-UHFFFAOYSA-N
-rxn:4:219040:223811,O=C(c1cncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c1)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1,FOWGNHBGDSRFPY-UHFFFAOYSA-N
-rxn:4:219043:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cn(C)nc1CN1CCN(C(=O)OC(C)(C)C)C(C)C1,LLCCWXARZFITTR-UHFFFAOYSA-N
-rxn:4:219043:222941,CONS(=O)(=O)c1c(C)cc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1C,RWBHCHVUBNIADI-UHFFFAOYSA-N
-rxn:4:219046:226713,COCCOc1cc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)c(F)cn1,TVOXMLNEBNUUNW-UHFFFAOYSA-N
-rxn:4:219062:222907,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2ccncc2NC(=O)OC(C)(C)C)C1,CBGGHCRXTVKDCG-UHFFFAOYSA-N
-rxn:4:219119:225128,COC(=O)C1(c2ccc(F)c(-c3nc4c(c(=O)n(CCC(C)C)c(=O)n4C)n3C(C)C(C)=O)c2)CC1,YWYSFEPZXOAGTJ-UHFFFAOYSA-N
-rxn:4:219270:223497,CC(c1ccc(-c2ccccc2S(=O)(=O)N2CC(Cn3ccnn3)C2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,RIJZXJVCIAFPRP-UHFFFAOYSA-N
-rxn:4:219338:223901,CC1CCN(CCOc2ccc(-c3cnc(OC4CCN(C(=O)N(C)C)CC4)nc3)cc2Cl)CC1,VUTWEVVEVXVOOQ-UHFFFAOYSA-N
-rxn:4:219360:223728,CCCCCC1CCC(c2ccc(-c3cccnc3OC3CCN(C(=O)c4snnc4C)CC3)c(F)c2)CC1,XSGWZBZYONXFON-UHFFFAOYSA-N
-rxn:4:219404:225943,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(C(=O)N4CCOCC4)s3)n2)CC1,INNTYSZSWVMUHB-UHFFFAOYSA-N
-rxn:4:219410:222895,CCCCS(=O)(=O)Nc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1,HBEDGNOYVRQDQB-UHFFFAOYSA-N
-rxn:4:219451:226231,CCCCOc1ncc(-c2cn(C)nc2C(=O)N2CCCN(CC3CC3)CC2)cc1C,DOUBNLVCEQRTTR-UHFFFAOYSA-N
-rxn:4:219477:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,MNCLHDQQMNVAEU-UHFFFAOYSA-N
-rxn:4:219506:225636,CC1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)ccn2)CC1,LUCUUMRZUBHLRX-UHFFFAOYSA-N
-rxn:4:219506:225638,CC1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cn2)CC1,JREJRSSZIPLGLB-UHFFFAOYSA-N
-rxn:4:219531:224170,CSc1ncc(-c2ccc(OCCCN3CCCC3)c(Cl)c2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,LAPFLFTXEUKOPV-UHFFFAOYSA-N
-rxn:4:219533:222595,CSc1ncc(-c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,MXCPXYSVJKOSLR-UHFFFAOYSA-N
-rxn:4:219538:225242,N#Cc1cc(-c2cnc(Cl)c(-c3ccc(F)cc3)c2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,WDWGJMXHTJLJFV-UHFFFAOYSA-N
-rxn:4:219552:224998,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cccc(C(=O)N2CCCCC2)c1,VKORIOIJTKNJAI-UHFFFAOYSA-N
-rxn:4:219623:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)o2)cc1,RGKCMGDHJWLMAR-UHFFFAOYSA-N
-rxn:4:219654:225904,CON(C)C(=O)c1ccc(F)c(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)c1,NSSRDNKUKARCKG-UHFFFAOYSA-N
-rxn:4:219678:222929,N#Cc1ccc(N2CC3CN(S(=O)(=O)c4ccccc4-c4cnc(Cl)c(N5CCC(O)CC5)c4)CC3C2)nc1,BSBHUVWOWDVCDT-UHFFFAOYSA-N
-rxn:4:219689:223074,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cccc(NS(=O)(=O)C5CC5)c4)n3c2)CC1,HNJALIPGHQHQMV-UHFFFAOYSA-N
-rxn:4:219690:225984,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4cnc(Cl)c(N5CCOCC5)c4)cc32)CC1,WLOVCPHSPCCZTE-UHFFFAOYSA-N
-rxn:4:219750:223527,COc1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,GRUVCYKPMCCKKX-UHFFFAOYSA-N
-rxn:4:219750:223578,COc1ccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,CAKDLFGKMTVFBS-UHFFFAOYSA-N
-rxn:4:219751:224440,Cc1cc(OCc2ccccc2)cc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)C[C@@H]4C)nc(F)nc3c2F)c1,JXNQHGZMMWPBOO-FQEVSTJZSA-N
-rxn:4:219759:224772,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)cc2)OC3)CC1,DKPKEMROFWRFHJ-UHFFFAOYSA-N
-rxn:4:219780:227457,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C)cn6c(C)nnc56)c(C(F)F)cc43)nn2C2CCOCC2)C1,XNMRPIPAFFOFHF-UHFFFAOYSA-N
-rxn:4:219937:222396,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4ccc(C(=O)NC5CCC(O)CC5)cc4)n3)C2)c1,BXSHFWYYZDLLPR-UHFFFAOYSA-N
-rxn:4:219959:225275,COCCOc1c(F)c(C)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1F,DJKQNLYGGCWPKL-UHFFFAOYSA-N
-rxn:4:219961:222584,Cc1ccc(N2CCN(C(=O)c3cccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)CC2)nn1,RUTMDNONOFQNIT-UHFFFAOYSA-N
-rxn:4:219988:222471,COC(=O)c1ccc(NCc2ccccc2-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1,NLPIFVKDCGFXKA-UHFFFAOYSA-N
-rxn:4:220159:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)c3ccccc23)CC1,CIRBMZIPAWMBLL-UHFFFAOYSA-N
-rxn:4:220222:222889,Cc1ccc(-c2cc(F)cc(CN3CCNCC3)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,IOHFDCCSANMIMS-UHFFFAOYSA-N
-rxn:4:220400:223482,CN1CCN(c2cc([N+](=O)[O-])cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)n2)CC1,ZVEJYJBAUUWQEF-UHFFFAOYSA-N
-rxn:4:220426:225187,Clc1ccc(CN2CCOCC2)c(-c2cnc(N3CCOCC3)nc2N2CCOCC2)c1,BURORHACKJCZLI-UHFFFAOYSA-N
-rxn:4:220430:224498,CCN1CCN(Cc2ccccc2-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)CC1,XBPGJNYAUXBZHC-UHFFFAOYSA-N
-rxn:4:220519:223532,CCN1CCN(c2ncnc3ccc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)CC1,LEOOVFPLNWSKDU-UHFFFAOYSA-N
-rxn:4:220519:223602,CCN1CCN(c2ncnc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc23)CC1,HAORKNXVUOIGIM-UHFFFAOYSA-N
-rxn:4:220531:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)ccc2OC)CC1,ZSTZAJAFMDJJCZ-UHFFFAOYSA-N
-rxn:4:220536:224011,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)cc2F)CC1,RAWVHAIMLNXOEW-UHFFFAOYSA-N
-rxn:4:220788:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCOCC4)nn3)c2)CC1,ORISPSGKIINPOI-UHFFFAOYSA-N
-rxn:4:221090:224672,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(N3CCN(CC)CC3)cc2Cl)cn1,WQAURWRBCHRFJE-UHFFFAOYSA-N
-rxn:4:221106:224301,COc1nccnc1N(C)CC1CCN(C(=O)c2cncc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(F)c3F)c2)CC1,UBOMEQULEYFROP-UHFFFAOYSA-N
-rxn:4:221108:224243,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCCCC5C)c4)cn3)CC2)c(=O)c1C,MQSRBKXIMGWXHU-UHFFFAOYSA-N
-rxn:4:221115:225966,CCOc1ccc(-c2cn(-c3ccnc(F)c3)nc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,JUXXNWLQDWIBTQ-UHFFFAOYSA-N
-rxn:4:221121:225066,Cc1cc(F)ccc1-c1ncccc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1,FQYSOFDKHLWWAM-UHFFFAOYSA-N
-rxn:4:221121:227162,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6ccccc6nc5F)ccc43)CC2)CC1,MKRKJYBLWIOFEW-UHFFFAOYSA-N
-rxn:4:221145:222538,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,FIOGINWRFGJLEK-UHFFFAOYSA-N
-rxn:4:221145:222628,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,XLQNZLUMZMZWFK-UHFFFAOYSA-N
-rxn:4:221145:222630,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CCC2)nc(C2CCNCC2)c1,AENSXUHYVHHPKL-UHFFFAOYSA-N
-rxn:4:221152:222543,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)cn2)C1,ZDWVXICECVYARR-UHFFFAOYSA-N
-rxn:4:221160:224022,Cc1nc(CN2CCCC(COc3ncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cn3)C2)no1,VSROEGBGXMFDRF-UHFFFAOYSA-N
-rxn:4:221175:224081,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccccc4CCO[Si](C)(C)C(C)(C)C)cn3)C2)C(=O)C1=O,HTNNYZWKKJFUGE-UHFFFAOYSA-N
-rxn:4:221180:223755,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCC(C)CC5)c(F)c4)cn3)CC2)nn1C,QYCWIAYUNBLUPG-UHFFFAOYSA-N
-rxn:4:221184:223812,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)n1,AFYMPGPFPQTREC-UHFFFAOYSA-N
-rxn:4:221227:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2cnc(OCC3CCCN(C(=O)c4ccc5nccnc5c4)C3)nc2)c1,MTIHZIDGFFHELV-UHFFFAOYSA-N
-rxn:4:221246:224967,COC(=O)c1cc(-c2ccc(-c3nc(SCC(=O)N4CCCC4)c4c(=O)n(C)c(=O)n(C)c4n3)cc2)cc(C(C)(C)C)c1,SCKITVVDOSSGLY-UHFFFAOYSA-N
-rxn:4:221249:223063,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)nc(C6CCNCC6)c5)cnn4c3)cc2)CC1,ACLUPGKIGBZPDK-UHFFFAOYSA-N
-rxn:4:221252:222951,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cnc(NC(C)=O)cc2C(F)(F)F)cc1,LTRYCXXMNKOHDE-UHFFFAOYSA-N
-rxn:4:221398:224036,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)cn3)CC2)CC1,DOSXXSZXVDQFIR-UHFFFAOYSA-N
-rxn:4:221412:222634,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)n1,GJHYAZXGLOWEPR-UHFFFAOYSA-N
-rxn:4:221434:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccccc1C(=O)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,GUNUEWYIIOHRJE-UHFFFAOYSA-N
-rxn:4:221444:226270,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3cccc(C=C(C#N)C#N)c3)CC2)n1,CGKRLTYZIDIYMZ-UHFFFAOYSA-N
-rxn:4:221448:223602,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3)CC2)n1,WNQHNZSBVDXDJK-UHFFFAOYSA-N
-rxn:4:221449:223279,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,YHSNBDHWKFOOHY-UHFFFAOYSA-N
-rxn:4:221452:226255,CCCCOc1ccc(Cl)cc1-c1cccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1,GNDMLUZPAQWKPN-UHFFFAOYSA-N
-rxn:4:221478:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(C(=O)c5ccc6nccnc6c5)C4)c3)c(F)cc2C)CC1,YXAOTJHIXSPAPN-UHFFFAOYSA-N
-rxn:4:221498:225805,CC(c1ccc(-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)s1)N1CCOCC1,NYJZMNCHNIBHPA-UHFFFAOYSA-N
-rxn:4:221515:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(C(=O)N4CC5CN(c6cc(C7CC7)ncn6)CC5C4)c3)cc2F)CC1,RGTRKFYHWZNDTQ-UHFFFAOYSA-N
-rxn:4:221553:222799,CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(S(=O)(=O)NC(C)(C)C)c(C)c3)cc2)n(C)c1=O,OLHISKUQHVYBQO-UHFFFAOYSA-N
-rxn:4:221731:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)nc3)ccc2F)CC1,RHNOZZWXIUGIKL-UHFFFAOYSA-N
-rxn:4:221831:223520,CC(c1ccc(-c2cccc(N3CCN(c4nccn5nccc45)CC3)c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,HNUGKYVTZSPTCI-UHFFFAOYSA-N
-rxn:4:221919:222856,CCOc1ccc(-c2cc(C3CCNCC3)ccc2OC)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1,ZZKABMKNOKDUAI-UHFFFAOYSA-N
-rxn:4:221965:224865,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CCN6CCCCC6)cc5)cc4)CC3)nn2)CC1,BJGVBYFLBJDZNF-UHFFFAOYSA-N
-rxn:4:221965:226946,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc6c(c5)CCN(C)C6)cc4)CC3)nn2)CC1,XOIKUAJANAQRBG-UHFFFAOYSA-N
-rxn:4:221965:227976,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc([Si](C)(C)C)cc5)cc4)CC3)nn2)CC1,JQPURCLHJQJUET-UHFFFAOYSA-N
-rxn:4:222029:225145,CN(C)c1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(N4CCOCC4)c(C#N)c3)CC2)n1,FCHCZLUEAHEMOW-UHFFFAOYSA-N
-rxn:4:222089:225318,O=C1C2N=NN(Cc3nc(-c4ccc(-c5c(F)cc(N6CCOCC6)cc5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,GEPGAUHNXXCDNN-UHFFFAOYSA-N
-rxn:4:222108:223031,CCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(OC)c1,JBSKOIPHMZVWNV-UHFFFAOYSA-N
-rxn:4:222108:223032,CCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)c1,MVKMXJLKCHPFEW-UHFFFAOYSA-N
-rxn:4:222124:225295,O=C1C2N=NN(Cc3nc(-c4cccc(-c5ccccc5S(=O)(=O)N5CCCC5)c4)no3)C2C(=O)N1c1ccc2c(c1)CCC2,WMEVRMORKRCVIW-UHFFFAOYSA-N
-rxn:4:222194:224283,CC(C)(C)Oc1ncc(-c2cnc(N3CCN(c4nc(C(C)(C)C)nc5c4CCC5)CC3)nc2)c(OC(C)(C)C)n1,PMKWSQLVPOXCFZ-UHFFFAOYSA-N
-rxn:4:222206:223503,Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3Cc2ccc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc2)n(C)c1=O,ZZCUJUXBBVTBJL-UHFFFAOYSA-N
-rxn:4:222249:222588,CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(OCCN7CCC(O)CC7)c(F)c6)o5)CC4)ncnc32)cc1,WGVMJBZLIWDFQH-UHFFFAOYSA-N
-rxn:4:222275:222584,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(OCCCN7CCNCC7)c(F)c6)o5)CC4)ncnc32)cc1,LYECQSAXKHYQFJ-UHFFFAOYSA-N
-rxn:4:222297:223597,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(Cl)c5)o4)CC3)ncnc21,NVTZVMRMICNDPG-UHFFFAOYSA-N
-rxn:4:222331:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)cc2)CC1,QCACEEPORWBLLN-UHFFFAOYSA-N
-rxn:4:222337:222839,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(NCC5CCCCC5)nc4)cn3)CC2)n1,OBKXMWWNCOJGFU-UHFFFAOYSA-N
-rxn:4:222442:187000,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cc2)C1,VGEUJHVIRZCOBX-UHFFFAOYSA-N
-rxn:4:222513:219431,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1,KFXOIWBLDKUNKN-UHFFFAOYSA-N
-rxn:4:222523:176165,Cc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)c2)c1,WHNYEVJMMHJSQR-UHFFFAOYSA-N
-rxn:4:222523:176696,CSc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc(C(=O)C(F)F)c1F,SBTPPJZNCFLZOZ-UHFFFAOYSA-N
-rxn:4:222523:178780,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)C(F)(F)F)c(F)cc2Cl)c(C(F)(F)F)c1,STLSHJSPDICBCV-UHFFFAOYSA-N
-rxn:4:222523:186570,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccnc(CC(=O)OC(C)(C)C)c2)c(C(F)(F)F)c1,MUOPJBLYKSYQKW-UHFFFAOYSA-N
-rxn:4:222543:175341,COC(=O)C(c1cc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)ccc1F)C1CC1,AIFCDORUWMYDKT-UHFFFAOYSA-N
-rxn:4:222613:174132,CCCNS(=O)(=O)c1ccc(-c2ccc(OC(C(=O)OC)C(C)C)cc2)c(C(F)(F)F)c1,VUNIQEYEZOHHIC-UHFFFAOYSA-N
-rxn:4:222613:194539,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(S(=O)(=O)C(C)C)C3)c(C(F)(F)F)c1,AUZWPDQVIYDVID-UHFFFAOYSA-N
-rxn:4:222723:218589,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)cc1,JWKRUVFSGWCBFT-UHFFFAOYSA-N
-rxn:4:222723:219338,CN(C)C(=O)N1CCC(Oc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,ALYLEUOVTYFZNI-UHFFFAOYSA-N
-rxn:4:222752:184181,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(CN(C(=O)OC(C)(C)C)C(C)C)c2ccccc12,DNHZKINLMTVMHA-UHFFFAOYSA-N
-rxn:4:222811:185243,CC(C)CN(C(=O)c1ccc(-c2cc(Cl)nc(NC(=O)OC(C)(C)C)c2)cc1)C1CCS(=O)(=O)C1,FYYWBMCROWVERB-UHFFFAOYSA-N
-rxn:4:222812:174516,CC(C)[Si](Oc1ccccc1-c1cnc(Cl)c(NC(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,GVBDVYSOIGMQIR-UHFFFAOYSA-N
-rxn:4:222821:204544,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCO3)ccc1F,KXVDMWBGTQGMLG-UHFFFAOYSA-N
-rxn:4:222822:203937,Cc1cc(F)c(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)cc1S(=O)(=O)NC1CC1,BRQBQSMFSQFSTJ-UHFFFAOYSA-N
-rxn:4:222881:178381,CC(C)(C)NC(=O)c1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(F)c1,XJNMIHFSJITYFZ-UHFFFAOYSA-N
-rxn:4:222891:185229,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)C2)cc(C2CCNCC2)n1,TVFHBZPQRKMYND-UHFFFAOYSA-N
-rxn:4:222950:174522,CONS(=O)(=O)c1cc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)ccc1OC,ICRJNGVGFWEJIE-UHFFFAOYSA-N
-rxn:4:222971:185557,CC(C)(C)OC(=O)n1ccc2c(OC(C)(C)C)c(F)cc(-c3ccc(NC(=O)C(C)(C)C)cc3)c21,UCUKAWQVFWIMJY-UHFFFAOYSA-N
-rxn:4:223071:207081,CCS(=O)(=O)NCc1ccc(-c2cncc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)cc1,JWMYFVAXHJBDKO-UHFFFAOYSA-N
-rxn:4:223093:187226,CC(C)C(=O)N(c1ccc(-c2cncc(NS(=O)(=O)C(C)C)c2)cc1)C1C=CS(=O)(=O)C1,OQFYUVDHBZEUIV-UHFFFAOYSA-N
-rxn:4:223570:203840,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)CC4C(=O)N(C)C(=O)N(C)C4=O)cc3)c(F)ncc21,MAMIBLUGJRUSAT-UHFFFAOYSA-N
-rxn:4:223570:207618,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4C=C(C#N)S(=O)(=O)c5ccc(F)cc54)cc3)c(F)ncc21,OYGOCJRSOYDVLB-UHFFFAOYSA-N
-rxn:5:176852:222960:225980,COC(=O)c1cc(-c2cc(C)cc(C3CCNCC3)c2)c(OC)c(-c2cc(N3CCOCC3)ncc2F)c1,PMFPMQFQVSDKBV-UHFFFAOYSA-N
-rxn:5:176852:222960:225982,COC(=O)c1cc(-c2cc(C)cc(C3CCNCC3)c2)c(OC)c(-c2cnc(N3CCOCC3)cc2F)c1,HKBGPJFNUYVXOJ-UHFFFAOYSA-N
-rxn:5:176857:222960:225976,COC(=O)c1cc(OC)c(-c2ccnc(N3CCOCC3)c2F)cc1-c1cc(C)cc(C2CCNCC2)c1,HOFIABCLFWGWOL-UHFFFAOYSA-N
-rxn:5:176857:223065:223064,COC(=O)c1cc(OC)c(-c2ccc(C3CCNCC3)nc2F)cc1-c1ccc(N2CCNCC2)cc1F,FDSWPOVWXHWJMP-UHFFFAOYSA-N
-rxn:5:176858:222960:225976,COC(=O)c1cc(-c2cc(C)cc(C3CCNCC3)c2)c(OC)cc1-c1ccnc(N2CCOCC2)c1F,OXCUVTIBYIKRIN-UHFFFAOYSA-N
-rxn:5:176858:222960:225982,COC(=O)c1cc(-c2cc(C)cc(C3CCNCC3)c2)c(OC)cc1-c1cnc(N2CCOCC2)cc1F,UKKAVANDDCTIJT-UHFFFAOYSA-N
-rxn:5:176859:222960:225982,COC(=O)c1cc(OC)c(-c2cc(C)cc(C3CCNCC3)c2)cc1-c1cnc(N2CCOCC2)cc1F,ADAXUJJVDOVJFL-UHFFFAOYSA-N
-rxn:5:176860:222957:225982,COC(=O)c1c(-c2cc(C)cc(C3CCCNC3)c2)ccc(OC)c1-c1cnc(N2CCOCC2)cc1F,FYQQVIHFDCIQOJ-UHFFFAOYSA-N
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-rxn:5:178467:227701:223131,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3)cc(-c3cc(C(=O)OC)ncc3F)c2OC1,KGICWRXWVOZILD-UHFFFAOYSA-N
-rxn:5:178467:228321:222957,CCOC(=O)C1=Cc2cc(-c3cc(C)cc(C4CCCNC4)c3)cc(-c3cncc(C(=O)OC)c3)c2OC1,WJCRBFIEJWLDNA-UHFFFAOYSA-N
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-rxn:5:178556:223002:226331,N#CC1(c2ccc(-c3ccc(-c4ccc(C5CCNCC5)cc4F)c(COc4ccc5c(c4)C(=O)CCC5)c3)c(F)c2)CC1,ULMNIXHNEQIAPL-UHFFFAOYSA-N
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-rxn:5:180021:226424:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1cc(N2CCCC(C)C2)cs1,LSEBSUSVCJPPRB-UHFFFAOYSA-N
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-rxn:5:180022:223138:225926,COc1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc(-c2ccnc(C3CCNCC3)c2)c1C1OCCO1,MOHVTYOPPFWCCQ-UHFFFAOYSA-N
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-rxn:5:180022:225986:223135,COc1c(-c2cccnc2C2CCCNC2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,LHIMIAKMZGGXMH-UHFFFAOYSA-N
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-rxn:5:180202:225805:227710,CC(c1ccc(-c2ccc(OC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)s1)N1CCOCC1,KCCWUWLGOVNQLL-UHFFFAOYSA-N
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-rxn:5:180204:225805:227710,CC(c1ccc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2OC2CCOCC2)s1)N1CCOCC1,NYGKDXGVILUUFQ-UHFFFAOYSA-N
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-rxn:5:180662:225636:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccnc(N4CCC(C)CC4)c3)c2OC1,ZEJQQVPHFKICQB-UHFFFAOYSA-N
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-rxn:5:180662:225982:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,RZGTVDUPGICOKT-UHFFFAOYSA-N
-rxn:5:180662:227276:225880,CCc1cc(N(C)C)ncc1-c1cc(-c2cc(C3CCOCC3)ncc2F)cc2c1OCC(C(=O)OC)=C2,QAQQNRGKCFWYBJ-UHFFFAOYSA-N
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-rxn:5:181904:225926:223008,Cc1c(C2OCCO2)ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1-c1cc(C2CCNCC2)ccc1F,GNKSOOVMXUNBLM-UHFFFAOYSA-N
-rxn:5:181904:226686:225884,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(C2COCCO2)c(F)c1,NHKKEVZLKAYDPU-UHFFFAOYSA-N
-rxn:5:181905:226662:225986,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(N2CCN(C)CC2)s1,FXBJQNXZZUQDLS-UHFFFAOYSA-N
-rxn:5:181906:225832:227103,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1sccc1C1CCCCC1,KRFYYFXDODLCOM-UHFFFAOYSA-N
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-rxn:5:181906:225986:226661,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1cc(N2CCN(C)CC2)cs1,SGBNCZJYTQAZPN-UHFFFAOYSA-N
-rxn:5:181906:225986:226662,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(N2CCN(C)CC2)s1,FXBJQNXZZUQDLS-UHFFFAOYSA-N
-rxn:5:181906:226583:226686,Cc1ccc(-c2ccc(CN3CCOCC3)s2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,CIOFLTVHZYPABP-UHFFFAOYSA-N
-rxn:5:181907:225407:225684,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1,MUCNCWSVCNOHCU-UHFFFAOYSA-N
-rxn:5:181907:225438:225683,Cc1cc(-c2ccc(C(C)N3CCCC3)cc2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,UOGKDMQUFPXMJS-UHFFFAOYSA-N
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-rxn:5:181907:226652:226686,Cc1cc(-c2cc(C)nn2C2CCCCO2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,ONUOJJUGLYYICA-UHFFFAOYSA-N
-rxn:5:181907:226686:222957,Cc1cc(-c2c(-c3c(C)cnn3C3CCCCO3)cc(C)cc2C2OCCO2)cc(C2CCCNC2)c1,OOILJUPUEWZFRG-UHFFFAOYSA-N
-rxn:5:181908:223058:225881,Cc1cc(-c2cc(F)nc(C3CCCNC3)c2)c(-c2ccc(C3CCOCC3)nc2F)cc1C1OCCO1,LTXONOVSOMBKNH-UHFFFAOYSA-N
-rxn:5:181908:225926:226662,Cc1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C1OCCO1,RTOWBQYGANLIJQ-UHFFFAOYSA-N
-rxn:5:182010:223142:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3CCCNC3)nc2)c1,CRSKFMFUJIQNMR-UHFFFAOYSA-N
-rxn:5:182011:226374:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1cncnc1C1CCCCC1,DHSJPWQDZQMILY-UHFFFAOYSA-N
-rxn:5:182012:226686:225684,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCOCC3)nc2C)c(C2CCCOC2)c1,DNYCTMCYXGWGEN-UHFFFAOYSA-N
-rxn:5:182012:226686:226428,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cc(N3CCCCC3C)cs2)c(C2CCCOC2)c1,MAVDIVAWPBAFFP-UHFFFAOYSA-N
-rxn:5:182013:222998:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1C1CCOCC1,MRCSRTIUKPUURF-UHFFFAOYSA-N
-rxn:5:183190:225816:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc2c(c(-c3cc(C4CC4)ccc3C(F)(F)F)c1)CC(C)(C)C2=O,OSKCKWAJHXICPA-UHFFFAOYSA-N
-rxn:5:183190:225821:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc2c(c(-c3ccc(C4CC4)c(C(F)(F)F)c3)c1)CC(C)(C)C2=O,GWPAZIZOQDJZQU-UHFFFAOYSA-N
-rxn:5:188448:226836:226741,COC(=O)c1cc(-c2cc(C(F)(F)F)ccc2C#N)c([N+](=O)[O-])cc1-c1cn(C(C)C)nc1C(F)(F)F,ZXQPYRLBKYDUBG-UHFFFAOYSA-N
-rxn:5:188787:226663:223006,O=[N+]([O-])c1cc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(F)c(C3CCNCC3)c2)cc1OC1CC1,WHTKLLNBNPDIDN-UHFFFAOYSA-N
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-rxn:5:188930:225622:223061,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2OC2CCCCO2)cc1-c1cc(C2CCNCC2)ncc1F,GJUROMSPDWTYRI-UHFFFAOYSA-N
-rxn:5:188931:223139:223056,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2)cc(S(N)(=O)=O)c1-c1ccc(N2CCC(O)CC2)nc1,HNHOPSKSKMUHES-UHFFFAOYSA-N
-rxn:5:188931:225636:225597,COC(=O)c1cc(-c2ccnc(N3CCC(C)CC3)c2)cc(S(N)(=O)=O)c1-c1ccc(OC2CCCCC2)nc1,YOYHRHMEMGARPB-UHFFFAOYSA-N
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-rxn:5:188932:225394:227377,COC(=O)c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)c(S(N)(=O)=O)c(-c2cncnc2C2CCCC2)c1,PLERQBRNHZWFBJ-UHFFFAOYSA-N
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-rxn:5:189081:225601:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(CC(=O)N(C)C)c(-c2ccc(C3(C#N)CCC3)cc2F)c1,GTCABUBVASLYOV-UHFFFAOYSA-N
-rxn:5:189207:223000:223239,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C3CCCNC3)c(F)c2)ccc1-c1cncc(C2CCCN2)c1,RUKYNGYHAPZOKC-UHFFFAOYSA-N
-rxn:5:189209:223149:225849,CCOc1cc2cn[nH]c2cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cnc(N3CCCCC3)cc2F)c1,SMSMMGVPXVODAV-UHFFFAOYSA-N
-rxn:5:189209:225654:228692,CC1CCCN(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccc(CN(C)C)s4)c3)cn2)C1,VJXKADMDNOPCDE-UHFFFAOYSA-N
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-rxn:5:189209:226320:228236,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccnc(F)c4C4CC4)c3)c2)CC1,VLUYJOTVXNKHRV-UHFFFAOYSA-N
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-rxn:5:189209:228567:223006,CCC(C)c1sccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(F)c(C3CCNCC3)c2)c1,NYRIGWORJWAGTD-UHFFFAOYSA-N
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-rxn:5:189664:225451:227029,CC(C)(C#N)c1ccccc1-c1cc(-c2ccc(SC3CCCCC3)cc2)ccc1CC(=O)N1CCCC1,BWGPARLBHPLGHC-UHFFFAOYSA-N
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-rxn:5:189827:228160:226428,CCOc1cccc(F)c1-c1cc(CC(=O)N2CCOCC2)ccc1-c1cc(N2CCCCC2C)cs1,PFAOHSHOQQDTSH-UHFFFAOYSA-N
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-rxn:5:190194:223147:227710,COC1CCN(Cc2cccc(-c3ccc(C4CNCCO4)cc3)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,VGCTVIZZUCFIJY-UHFFFAOYSA-N
-rxn:5:190194:227505:225639,COC1CCN(Cc2cccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2-c2cccnc2N2CCC(C)CC2)CC1,DXWPREDOAIUKDY-HYARGMPZSA-N
-rxn:5:190194:227506:225639,COC1CCN(Cc2cccc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2-c2cccnc2N2CCC(C)CC2)CC1,NDEGBOARQQBQLL-FYJGNVAPSA-N
-rxn:5:190194:227507:225639,COC1CCN(Cc2cccc(-c3cccc(C=C[N+](=O)[O-])c3)c2-c2cccnc2N2CCC(C)CC2)CC1,NDEGBOARQQBQLL-UHFFFAOYSA-N
-rxn:5:190194:227710:223148,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2ccccc2C2CNCCO2)CC1,ZJYPBRCDEZLKFY-UHFFFAOYSA-N
-rxn:5:190194:227710:227449,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2ccc(C3CCOCC3)s2)CC1,WTNQWQDAEKQPTK-UHFFFAOYSA-N
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-rxn:5:190231:222995:227507,COc1c(-c2cccc(C=C[N+](=O)[O-])c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cccc(N2CCCC(O)C2)c1,OSAKNJZALVPYCZ-UHFFFAOYSA-N
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-rxn:5:190265:227052:227079,CC(C)Cc1ccc(F)c(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccc(SC(C)(C)C)cc2)c1,ANWBIXCNUIQTGG-UHFFFAOYSA-N
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-rxn:5:190309:226325:227688,COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(C(C)(C)C#N)cc2F)cc1CCN1CCCCC1C,JMRYACQEADWRQS-UHFFFAOYSA-N
-rxn:5:190335:227045:227525,CCc1cnc(C(F)F)cc1-c1cc(C(=O)N2CCCCC2C)cc(-c2cccc(SC(C)(C)C)c2)c1OC,IECRUHOAZPLRFO-UHFFFAOYSA-N
-rxn:5:190336:223113:222980,COc1c(-c2ccc(CN3CCNCC3)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2,HPIDOCGRQWGSSR-UHFFFAOYSA-N
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-rxn:5:190484:223139:223146,O=C(c1cccc(-c2ccc(C3CCNCC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(C3CNCCO3)c2)S(=O)(=O)CC1,ZOARVCGQIOWCJA-UHFFFAOYSA-N
-rxn:5:190484:226645:223146,O=C(c1cccc(-c2ccnc(N3CCOCC3)c2)c1)N1CCC(c2ccccc2-c2cccc(C3CNCCO3)c2)S(=O)(=O)CC1,NZMIHWLHILOZSB-UHFFFAOYSA-N
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-rxn:5:190484:227505:223242,O=C(c1cccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCNC3)c2)S(=O)(=O)CC1,FFFXMXUBQKZWLC-XMHGGMMESA-N
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-rxn:5:190484:227970:226969,CC(C)(C)c1cnccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc4c(c3)CCCC4=O)S(=O)(=O)CC2)c1,HMOQGTXEGCMWGB-UHFFFAOYSA-N
-rxn:5:190484:228196:223294,Cc1ncnc(C2CC2)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3csc(N4CCNCC4)n3)S(=O)(=O)CC2)c1,LXJYNVMQGZOVLN-UHFFFAOYSA-N
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-rxn:5:190741:226654:223064,CCOC(=O)c1cnc2c(-c3csc(N4CCC(C)CC4)n3)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,CTHNYMUBGVKGNY-UHFFFAOYSA-N
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-rxn:5:190742:223065:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1ccnc(N2CCOCC2)c1F,WWNFIIQPFRKZSP-UHFFFAOYSA-N
-rxn:5:190742:225439:223064,CCOC(=O)c1cnc2c(C)ccc(-c3cccc(C(C)N4CCCC4)c3)c2c1-c1ccc(C2CCNCC2)nc1F,RYBYQCUNWFVJFE-UHFFFAOYSA-N
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-rxn:5:190742:225978:226662,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(N2CCN(C)CC2)s1,ZXWLMVILXTYBHZ-UHFFFAOYSA-N
-rxn:5:190742:226654:223061,CCOC(=O)c1cnc2c(C)ccc(-c3csc(N4CCC(C)CC4)n3)c2c1-c1cc(C2CCNCC2)ncc1F,XEIIJHXUICBVEC-UHFFFAOYSA-N
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-rxn:5:190742:226662:225834,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1cc(N2CCCCC2)ncc1F,HYOFMLDVCXJEKM-UHFFFAOYSA-N
-rxn:5:190743:225976:223061,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,HPHWDOCFGDIZPR-UHFFFAOYSA-N
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-rxn:5:190743:226654:223061,CCOC(=O)c1cnc2c(C)c(-c3csc(N4CCC(C)CC4)n3)ccc2c1-c1cc(C2CCNCC2)ncc1F,GWBFSTIZLHVMSJ-UHFFFAOYSA-N
-rxn:5:190743:226654:223062,CCOC(=O)c1cnc2c(C)c(-c3csc(N4CCC(C)CC4)n3)ccc2c1-c1cnc(C2CCNCC2)cc1F,RMXIGALCEXGDHV-UHFFFAOYSA-N
-rxn:5:190743:226654:223064,CCOC(=O)c1cnc2c(C)c(-c3csc(N4CCC(C)CC4)n3)ccc2c1-c1ccc(C2CCNCC2)nc1F,UZBGSHBOGNKFNO-UHFFFAOYSA-N
-rxn:5:190744:223056:223064,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,WLNCIWMYTKQXFZ-UHFFFAOYSA-N
-rxn:5:190744:223064:223064,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,MDLSBNNMIWYJOJ-UHFFFAOYSA-N
-rxn:5:190744:225583:223062,CCOC(=O)c1cnc2c(-c3cccc(C(=O)N4CCCC4)c3)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,DZFOKEBKWLNRSY-UHFFFAOYSA-N
-rxn:5:190744:226654:223064,CCOC(=O)c1cnc2c(-c3csc(N4CCC(C)CC4)n3)c(C)ccc2c1-c1ccc(C2CCNCC2)nc1F,MHFOEOBYFXZERY-UHFFFAOYSA-N
-rxn:5:190796:226028:226652,Cc1cc(-c2cccc3c2c(-c2ccc(C(F)(F)F)c(C#N)c2F)cn3C(=O)OC(C)(C)C)n(C2CCCCO2)n1,YSMASODBBDJPPH-UHFFFAOYSA-N
-rxn:5:190797:226067:225447,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(OC4CCCCC4)cc3)cc(-c3ccc(C4=CCCCC4)cc3)cc21,PQQQTBOKIULPQK-UHFFFAOYSA-N
-rxn:5:190799:225407:225394,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C4CCCCCC4)cc3)c(-c3cc(C4CCC4)cc(C4CC4)c3)ccc21,KDXAOODXMUVIOR-UHFFFAOYSA-N
-rxn:5:190832:223056:226679,CCOC(=O)c1cnc2cc(C)c(-c3ccc(N4CCC(O)CC4)nc3)c(C)c2c1-c1cnc(N2CCCC2)cc1F,RZOQIHSFDNUBON-UHFFFAOYSA-N
-rxn:5:190859:228133:225581,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(F)c(CC#N)c1)c2-c1ccc(CN2CCOCC2)cc1,BPGTZFBITJQYID-UHFFFAOYSA-N
-rxn:5:190993:226900:225445,O=C1COc2ccc(-c3ccc(S(F)(F)(F)(F)F)cc3)cc2CN1CCc1ccc(-c2ccccc2OC2CCCCC2)cc1,WXJZGYSGVFLDGZ-UHFFFAOYSA-N
-rxn:5:191026:227076:228282,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccccc4C(C)(F)F)c2)C=C(C(=O)OC)S3(=O)=O)c1,SDAPAQSRQNCKFF-UHFFFAOYSA-N
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-rxn:5:194733:225456:227439,CN1CCC(c2ccc(-c3ccc(-c4cccnc4-c4ccsc4)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)cc2)CC1,JNLOVSCNRMSLSE-UHFFFAOYSA-N
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-rxn:5:197876:225816:227823,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1cc(C3CC3)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,GRNLTPLARGRPIN-UHFFFAOYSA-N
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-rxn:5:197876:225820:227971,CC(C)(C)c1ccncc1-c1cc2c(cc1-c1c(C3CC3)cccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,NPTVFYFWNQUJOE-UHFFFAOYSA-N
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-rxn:5:197876:225834:228180,COCc1cc(-c2cc3c(cc2-c2cc(N4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,CUBQFUGURQZFJR-UHFFFAOYSA-N
-rxn:5:197876:225927:228930,CSc1c(-c2cc3c(cc2-c2cc(C(F)(F)F)ccc2N(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)ccnc1F,YAPXNHKEUOATPQ-UHFFFAOYSA-N
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-rxn:5:197876:225937:228260,CC(C)c1cnc(C(F)(F)F)cc1-c1cc2c(cc1-c1cccc(C(C)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,SQSPOHKXXZVGEM-UHFFFAOYSA-N
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-rxn:5:197876:225946:227045,CC(=O)c1cc(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,LPKIYLSZGFTZMI-UHFFFAOYSA-N
-rxn:5:197876:225982:228509,CC(C)c1ccc(-c2cc3c(cc2-c2cnc(N4CCOCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,GWZZYUXLLTXPLM-UHFFFAOYSA-N
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-rxn:5:197876:226031:227309,CCC(C)c1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,RVRRYHJBOFGBRZ-UHFFFAOYSA-N
-rxn:5:197876:226031:228738,COc1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C)n1,SZCISZGFPLJJGV-UHFFFAOYSA-N
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-rxn:5:197876:226058:225499,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)C(=O)N(C(C)(C)C)S2(=O)=O,QWDWNGDUMHWURZ-UHFFFAOYSA-N
-rxn:5:197876:226061:227764,CC(C)c1cc(-c2cc3c(cc2-c2cc(F)c(C(F)F)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,RUOOOBQDKFTCNK-UHFFFAOYSA-N
-rxn:5:197876:226085:227312,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)n1,DLCPDCKUCXSVRU-UHFFFAOYSA-N
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-rxn:5:197876:226331:227821,CCc1c(C)cc(C)cc1-c1cc2c(cc1-c1ccc(C3(C#N)CC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SXMMIVUYJRTTLU-UHFFFAOYSA-N
-rxn:5:197876:226432:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MTYXFGGONBREJE-UHFFFAOYSA-N
-rxn:5:197876:226437:227341,CC(C)Oc1cccc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1F,QJBWCGPWFUJCJP-UHFFFAOYSA-N
-rxn:5:197876:226437:228179,COCc1cc(F)cc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,RIWXDHUJFMCNRJ-UHFFFAOYSA-N
-rxn:5:197876:226589:228623,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1sccc1C1CCC1)C(=O)N(C(C)(C)C)S2(=O)=O,KYUFMUQBGBLTLR-UHFFFAOYSA-N
-rxn:5:197876:226610:226762,CCc1cc(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,KNYAZELEVXKQSK-UHFFFAOYSA-N
-rxn:5:197876:226611:226916,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1cccc(C3=CCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,ZKIMPAZYBQNFLM-UHFFFAOYSA-N
-rxn:5:197876:226710:227402,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,RRCOTUUDOSZRMQ-UHFFFAOYSA-N
-rxn:5:197876:226710:228227,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)n1,UDTPICLTVVLSBK-UHFFFAOYSA-N
-rxn:5:197876:226736:228003,CSc1cc(C)c(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,HRNRAHYWSSUFOF-UHFFFAOYSA-N
-rxn:5:197876:226761:227830,CSc1ccc(-c2cc3c(cc2-c2ccc(C4(C)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(F)(F)F)c1,FMMSZYAMNTZXPV-UHFFFAOYSA-N
-rxn:5:197876:226762:227412,CSc1cc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,WKENFLUMAMMNFN-UHFFFAOYSA-N
-rxn:5:197876:226762:228437,CSc1cc(-c2cc3c(cc2-c2ccc(C(F)F)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,OGQDFZNDLSCVNP-UHFFFAOYSA-N
-rxn:5:197876:226836:227087,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2cn(C(C)C)nc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ZWUBZNMUDYOHBD-UHFFFAOYSA-N
-rxn:5:197876:226891:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cc(C(F)(F)F)cc(F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,PNSYNMMRLWYMBT-UHFFFAOYSA-N
-rxn:5:197876:226910:226761,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(SC)cc2C(F)(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,BLQSJZBZDBMZPZ-UHFFFAOYSA-N
-rxn:5:197876:226910:227659,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cccc(C(F)(F)F)c2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,GHAZDORZGYWLKV-UHFFFAOYSA-N
-rxn:5:197876:226913:227077,CCc1cc(-c2cc3c(cc2-c2ccc(C(C)CC)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,MOUDZFNRGOROJN-UHFFFAOYSA-N
-rxn:5:197876:226918:227045,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2ccc(C4=CCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CDBXGNNPBZAXOB-UHFFFAOYSA-N
-rxn:5:197876:226946:226190,CN1CCc2cc(-c3cc4c(cc3-c3ccc(C5CCCC5)cc3F)C(=O)N(C(C)(C)C)S4(=O)=O)ccc2C1,FBRINAAUIBXJEC-UHFFFAOYSA-N
-rxn:5:197876:226966:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc4c(c2)C(=O)CCC4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XIQJLQSXOWWPOQ-UHFFFAOYSA-N
-rxn:5:197876:226969:226922,Cc1cc(C2CC2)cc(C)c1-c1cc2c(cc1-c1ccc3c(c1)CCCC3=O)S(=O)(=O)N(C(C)(C)C)C2=O,YNHSRUGHIBIBBC-UHFFFAOYSA-N
-rxn:5:197876:227040:226067,Cc1ccc(OC(C)C)c(-c2cc3c(cc2-c2ccc(C4=CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,YTXRJSJYRVDHJL-UHFFFAOYSA-N
-rxn:5:197876:227045:226150,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cccc(SC4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,IFUNBVVNGABTIZ-UHFFFAOYSA-N
-rxn:5:197876:227045:226159,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cccc(N4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,KETVWZTWIMACSH-UHFFFAOYSA-N
-rxn:5:197876:227052:225440,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C4(C#N)CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,DFEYYWADQOCBNE-UHFFFAOYSA-N
-rxn:5:197876:227052:226320,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,VSCGKTBXXDGOFV-UHFFFAOYSA-N
-rxn:5:197876:227052:226325,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,SQBCQPSVXOOEMT-UHFFFAOYSA-N
-rxn:5:197876:227068:226149,COc1ccc(-c2cc3c(cc2-c2ccc(CC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(C)(C)C,AKZYCALGZYDCAB-UHFFFAOYSA-N
-rxn:5:197876:227076:227068,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(CC(C)C)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WEROYLNUUAPNBA-UHFFFAOYSA-N
-rxn:5:197876:227079:226341,COc1cc(F)c(C(C)C)cc1-c1cc2c(cc1-c1cc(CC(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,KPSDSBMCOMLGEF-UHFFFAOYSA-N
-rxn:5:197876:227102:226060,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CC4)cc(C4CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,USDPSYXSOTXWTA-UHFFFAOYSA-N
-rxn:5:197876:227102:227022,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(CN4CCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,VTEKEZXURPCOMP-UHFFFAOYSA-N
-rxn:5:197876:227102:227282,CC(C)c1ncc(C#N)cc1-c1cc2c(cc1-c1cc(C(C)(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LXFCDPSQZLLDGK-UHFFFAOYSA-N
-rxn:5:197876:227108:227282,CC(C)c1ncc(C#N)cc1-c1cc2c(cc1-c1cc(C3CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XRVWUNPSAYAYAA-UHFFFAOYSA-N
-rxn:5:197876:227120:228195,Cc1nn(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(C3CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WTVZBAMLUUJVQA-UHFFFAOYSA-N
-rxn:5:197876:227124:226907,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cccc4c2CCC42CC2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,JGSZZEYVIOPNGV-UHFFFAOYSA-N
-rxn:5:197876:227314:227058,COc1ccc(C2CC2)cc1-c1cc2c(cc1-c1ccc(CC(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PRUHFZFGFJIBPS-UHFFFAOYSA-N
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-rxn:5:197876:227409:227291,CN(C)Cc1ccc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,KMEWGIQQWFKRDZ-UHFFFAOYSA-N
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-rxn:4:178384:225578,CCc1ccc(-n2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)cn2)cc1,ZNKJCLHHSRPVTO-UHFFFAOYSA-N
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-rxn:4:178384:228510,CC(C)c1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,RUNWUISOWHNMOW-UHFFFAOYSA-N
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-rxn:4:181918:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C4(C)OCCO4)c3F)cc2F)CC1,PBHGBJQIJOGVTC-UHFFFAOYSA-N
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-rxn:4:182359:224733,COC1CCC2(CC1)Oc1ccc(-c3ccc(OC(F)F)c(OC4CCC4)c3)cc1C2=O,WTEKRLDWAKPEOS-UHFFFAOYSA-N
-rxn:4:182374:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc3c(cc2C(C)=O)C(C)(C)CCC3(C)C)cc1,PSKKKTKXNFDLBE-UHFFFAOYSA-N
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-rxn:4:182888:223490,Cc1ccc(-c2csc3c2CCCC3)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,APHPYOCFBNDVPO-UHFFFAOYSA-N
-rxn:4:183119:223574,Cc1cc2c(c(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c1)C(=O)CCO2,LIPUABUGSVPSSZ-UHFFFAOYSA-N
-rxn:4:183120:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3)C(=O)C(C)(C)S4)s2)CC1,KVTMAVJANGSAEH-UHFFFAOYSA-N
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-rxn:4:183271:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2c(c1)OCCOCCOCCOCCO2,AVBFVFHMTDQYKH-UHFFFAOYSA-N
-rxn:4:183272:227827,Cc1ccc(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,YLLIMYHRXUMXIG-UHFFFAOYSA-N
-rxn:4:183274:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,JLVRDRWRJLUAHV-UHFFFAOYSA-N
-rxn:4:183274:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCOCCOCCO2,JWIJQCNHRJWGES-UHFFFAOYSA-N
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-rxn:4:183729:226844,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCOCC1,SLYOKQALMRHKAT-UHFFFAOYSA-N
-rxn:4:183823:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(Cl)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)c1,KUUIESDPKZJPPB-UHFFFAOYSA-N
-rxn:4:183831:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(F)ccc1CN(C(=O)OC(C)(C)C)C1CC1,RYUFGPHKTLQJLS-UHFFFAOYSA-N
-rxn:4:183833:226825,C#Cc1ccc(-c2cc(Cl)c(C(F)(F)F)cc2C)cc1OC1CN(C(=O)OC(C)(C)C)C1,CHRNUOFCYYXKLW-UHFFFAOYSA-N
-rxn:4:183836:225126,CCN(C(=O)COc1ccc(-c2cc(F)ccc2OCC2CCCO2)cc1)C1CCS(=O)(=O)C1,GFJZPWFJRNBZCR-UHFFFAOYSA-N
-rxn:4:183839:222807,COC(=O)C1CCCCN1C(=O)COc1ccc(-c2cc(C(=O)NC3CC3)cc([N+](=O)[O-])c2)cc1,VJEFOWLMTHUMAX-UHFFFAOYSA-N
-rxn:4:183880:225898,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3cnn(CCN4CCOCC4)c3)cc2F)C1,DQEDBCLVPQHRMV-UHFFFAOYSA-N
-rxn:4:183884:225080,COC(=O)C1CCc2cc(-c3cccc(F)c3OCC3CN(C(=O)OC(C)(C)C)C3)ccc2O1,OXXGXRYQUUVAJH-UHFFFAOYSA-N
-rxn:4:183899:225564,COC(=O)C(C)(C)c1cccc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C(C)C)c1,XNPVSCNKWMYFID-UHFFFAOYSA-N
-rxn:4:183900:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C(C)C)cc1,MRQDCRSMHOVNBO-UHFFFAOYSA-N
-rxn:4:183908:225995,CCCCN(C(=O)c1cccc(-c2cc(C#N)ccc2OC(F)(F)F)c1)C1CCS(=O)(=O)C1,ZDOQTNHHQYDBOE-UHFFFAOYSA-N
-rxn:4:183911:226858,CC1CCCCN1CCOc1cc(OC(F)(F)F)ccc1-c1cc(OC(F)(F)F)ccc1Cl,WZZDXRINRQIBKI-UHFFFAOYSA-N
-rxn:4:183913:222459,CC1CCCCN1CCOc1ccc(OC(F)(F)F)cc1-c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1F,AMKHDWMKQRONBZ-UHFFFAOYSA-N
-rxn:4:183915:223568,CC1CCN(CCOc2ccc(OC(F)(F)F)cc2-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)CC1,HTPNNSWQLMBWKH-UHFFFAOYSA-N
-rxn:4:183933:225304,Cc1c(CN(C(=O)OC(C)(C)C)C2CC2)cccc1-c1cc(C(F)(F)F)cnc1C(C)(C)C,MVFQAFIZRQKGKY-UHFFFAOYSA-N
-rxn:4:183936:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(Cl)cc(CN(C(=O)OC(C)(C)C)C3CCC3)c2)cc1,PNFQEEOLGDXOCD-UHFFFAOYSA-N
-rxn:4:183941:227738,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ncc2C)cc1,CGRBRSYWXPRKJD-UHFFFAOYSA-N
-rxn:4:183942:225750,CCN(CC)c1cc(-c2ccc(OC)cc2C(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc(F)c1F,IUZUWVDTTCJABR-UHFFFAOYSA-N
-rxn:4:183961:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1,IRHVIOKKQXLPQO-NRFANRHFSA-N
-rxn:4:183966:226858,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3cc(OC(F)(F)F)ccc3Cl)c2)C1,ZFSJCFIHFPDBBS-UHFFFAOYSA-N
-rxn:4:183999:226270,CC(C)(C)OC(=O)N(Cc1ccc(-c2cccc(C=C(C#N)C#N)c2)c(F)c1)C1CCCC1,ZFJOQRNEZLXMJM-UHFFFAOYSA-N
-rxn:4:184006:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N(C(=O)c4ccc(OC)c(OC)c4)C4C=CS(=O)(=O)C4)cc3)cc2)CC1,YQTUQSJHKKPOLT-UHFFFAOYSA-N
-rxn:4:184014:223163,CCNC(=O)c1cccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,NRLZQBMWJAKCKL-UHFFFAOYSA-N
-rxn:4:184016:224659,CN1CCN(C(=O)c2cccc(-c3ccccc3COC3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,MLJXRVRHZDZNEC-UHFFFAOYSA-N
-rxn:4:184016:227253,CCCOc1ccc(Cl)cc1-c1ccccc1COC1CCN(C(=O)OC(C)(C)C)CC1,UGYNAQGZOHXOAJ-UHFFFAOYSA-N
-rxn:4:184029:227585,CCOc1c(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2F)ccc(Cl)c1F,RHHDNRFOUFWYGU-UHFFFAOYSA-N
-rxn:4:184067:225260,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(F)(F)CC3)cc2)cc1,UXBGABJGUVZDON-UHFFFAOYSA-N
-rxn:4:184072:223510,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2)C1,DNUAIYMXANLKDX-UHFFFAOYSA-N
-rxn:4:184095:223279,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2cnc(C3CCCN3)nc2)cc1,QFIMPHJHIHQUHG-FKHAVUOCSA-N
-rxn:4:184096:228762,CCn1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)ccc1=O,JNZVVFFDTKXMJI-UHFFFAOYSA-N
-rxn:4:184099:222590,CC(c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,NJXSRGVEFVIXDN-UHFFFAOYSA-N
-rxn:4:184099:228598,COc1ccc(C)cc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,JLIJZMQOJBWRFM-UHFFFAOYSA-N
-rxn:4:184125:222878,CC(C)(C)NC(=O)c1cc(-c2cc(OCCCN3C(=O)c4ccccc4C3=O)cc(C(F)(F)F)c2)ccc1F,MWJARYAZSFENRL-UHFFFAOYSA-N
-rxn:4:184168:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)c3ccccc23)cc1F,RIWHTWFVVBMRSQ-UHFFFAOYSA-N
-rxn:4:184176:224146,COc1cc(C(=O)c2nccc3cc(OC)c(OC)cc23)c(-c2c(C)cc(O[Si](C)(C)C(C)(C)C)cc2C)cc1OC,KUTGAXVPOKZSBF-UHFFFAOYSA-N
-rxn:4:184178:223993,CCCCOc1cccc2c1CCN(Cc1ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)cc1)C2=O,GHCXLOPEOGWWJF-UHFFFAOYSA-N
-rxn:4:184182:224885,COc1ccc(CCC(=O)N2C3CCC2CC(SC)C3)cc1-c1ccccc1CN1CCC(C)CC1,QVSYOKHGAMXPKV-UHFFFAOYSA-N
-rxn:4:184182:225746,COc1ccc(CCC(=O)N2C3CCC2CC(SC)C3)cc1-c1cccnc1C(=O)OC(C)(C)C,QGUDHNSYHDDHAR-UHFFFAOYSA-N
-rxn:4:184208:223891,CC(C)(C)OC(=O)N(Cc1ccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)c2ccccc12)C1CCCC1,RVWXBZABHNDFMW-UHFFFAOYSA-N
-rxn:4:184208:223923,CN(C(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c3ccccc23)ccc1F)C1CCCCC1,XWIDDRXHGOKIPO-UHFFFAOYSA-N
-rxn:4:184222:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)cc1,PTXSLVRTECOHHE-UHFFFAOYSA-N
-rxn:4:184222:226509,CC(C)COc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)c(F)n1,LVJBHJMILVRLHW-UHFFFAOYSA-N
-rxn:4:184342:223834,COCCOc1c(-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)cc(F)cc1[N+](=O)[O-],ILFUYFSHMXXQQG-UHFFFAOYSA-N
-rxn:4:184443:223777,COC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1-c1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2,JTBKWJPYLOOGGG-UHFFFAOYSA-N
-rxn:4:184564:223646,CCOC(=O)c1ccc(OC)c(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)c1C#N,TWFIBCNGCSHDQY-UHFFFAOYSA-N
-rxn:4:184738:222929,O=C(c1ccc(-c2cnc(Cl)c(N3CCC(O)CC3)c2)cc1OCC(F)(F)F)N1CCC1,XVOPPAZRZYFTAL-UHFFFAOYSA-N
-rxn:4:184889:224254,COC(=O)C1CN(Cc2ccc(-c3ccc(F)c(C(=O)N4CCCC(C)C4)c3)cc2C(F)(F)F)C1,SRQUVPOPEMYBKY-UHFFFAOYSA-N
-rxn:4:184894:226725,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3cccc(OCC(F)(F)F)c3)c2)SC1=S,ODXIGDXSDRVUDN-UHFFFAOYSA-N
-rxn:4:184963:225000,COc1ccc(OCC(=O)N2CCOCC2)c(-c2ccc(CN3CCCCC3)c(F)c2)c1,SXLYYLIZPWSIRQ-UHFFFAOYSA-N
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-rxn:4:190164:222589,O=S(=O)(c1ccccc1-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1)N1CCC(C(F)(F)F)CC1,VAFKOTVZRYCVRC-UHFFFAOYSA-N
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-rxn:4:190266:223786,CC1CCCN(C(=O)Cc2cc(F)ccc2-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)C1,SEFJJCFTTZWLTA-UHFFFAOYSA-N
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-rxn:4:190330:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccc(C2CCCN2S(=O)(=O)C(C)C)cc1,MJAUYPHQAWFYCZ-UHFFFAOYSA-N
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-rxn:4:190822:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2=O,HWFJPIUEOUPGLX-UHFFFAOYSA-N
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-rxn:4:190869:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)CO3)cc1,DWASSFQDLPFWAL-UHFFFAOYSA-N
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-rxn:4:190932:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(=O)CN(C(=O)OC(C)(C)C)C2,PWHLFYPSQUJDQY-UHFFFAOYSA-N
-rxn:4:190946:222783,COC(=O)C1=CN(c2ccc(-c3ccc(Cl)c(NC(=O)OC(C)(C)C)c3)cc2)c2ccc(F)cc2S1(=O)=O,REDOLXLYRLNFIG-UHFFFAOYSA-N
-rxn:4:190952:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1,SYSQSKRCBAEDLP-SFHVURJKSA-N
-rxn:4:190972:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)c1,OTFFYOYMLKJZGY-UHFFFAOYSA-N
-rxn:4:190972:226061,CC(C)c1cc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)cc(C2CC2)c1,CXGSTDAMGPRLBX-UHFFFAOYSA-N
-rxn:4:190977:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(F)F)cc1,NZFAKEPZGMFACZ-UHFFFAOYSA-N
-rxn:4:190978:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCS3(=O)=O)cc1F,HJTLQKKEALQUAZ-UHFFFAOYSA-N
-rxn:4:191006:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2C3CCC2CC(OC)C3)cc1,OPNMNSFADKYTHY-UHFFFAOYSA-N
-rxn:4:191030:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)c1,YHRLRRFHCHFVOA-UHFFFAOYSA-N
-rxn:4:191032:222973,CC(C)(C)NC(=O)c1cccc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)c1,LGDBXIZUEBWDFY-UHFFFAOYSA-N
-rxn:4:191034:224398,Cc1cc(F)c(-c2ccc3c(c2)CCCN(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)N1CCCC1,NJZWSYRKZQKCLW-UHFFFAOYSA-N
-rxn:4:191035:224420,Cc1cc2c(cc1-c1c(C)ccc3c1CCN(C(=O)OC(C)(C)C)C3)C(C)(C)CCC2(C)C,LGFCDOBHIWGYCP-UHFFFAOYSA-N
-rxn:4:191036:222932,COCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CC(C)N(C(=O)OC(C)(C)C)C3)cc1,COJRTGYPSNYDHO-UHFFFAOYSA-N
-rxn:4:191039:222829,CNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)c(C(F)(F)F)c1,DNDGJTCYEZDAJU-UHFFFAOYSA-N
-rxn:4:191057:223880,Cc1ccc2c(c1)cc(-c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC31CC1)n2C(=O)OC(C)(C)C,VKULGABAZKRKOA-UHFFFAOYSA-N
-rxn:4:191062:223054,CC(c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)s1)N1CCC(O)C1,FHUSETKDXKOGID-UHFFFAOYSA-N
-rxn:4:191062:225456,CN1CCC(c2ccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)cc2)CC1,WUNOFHAYGWGTIF-UHFFFAOYSA-N
-rxn:4:191062:227052,CC(C)(C)Sc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc1,LRMWHNPWGYLBJM-UHFFFAOYSA-N
-rxn:4:191073:225269,COC(=O)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)C2)OC3)c(C(=O)OC)c1,JWSOOXNKIWNJBI-UHFFFAOYSA-N
-rxn:4:191080:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)N(c2ccc(C)c(C)c2)C=C(C(=O)OC)S3(=O)=O)c1,XDWCCFVFXSMEEM-UHFFFAOYSA-N
-rxn:4:191087:225260,CCN(CC)S(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc1,QDBNKFOVTPWZTP-UHFFFAOYSA-N
-rxn:4:191108:224762,COc1ccc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1,DXRGPQKELUJJMY-UHFFFAOYSA-N
-rxn:4:191109:225179,COc1ccc(-c2cccc(Cl)c2CN2CCOCC2)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,ZLBOAQNUHNPLIK-UHFFFAOYSA-N
-rxn:4:191119:223864,CC(C)c1cc(OCc2ccccc2)ccc1-c1ccc2c(c1)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2,NBAYBERIMBJHJP-UHFFFAOYSA-N
-rxn:4:191123:227075,COc1cc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc(C(C)C)c1,ZBSBVGYZDWJEDL-UHFFFAOYSA-N
-rxn:4:191125:226307,COCc1cc(C)cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c1OC,VIENHKTYMACTRC-UHFFFAOYSA-N
-rxn:4:191127:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,OHAKHTBYIKJGRM-UHFFFAOYSA-N
-rxn:4:191135:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cccc(C3(C)CC(C)(C)N(C(=O)c4ccccc4)c4ccccc43)c2)c1,ZRGNKNIALQEENL-UHFFFAOYSA-N
-rxn:4:191172:224845,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)cc1c32,WQSRALAWFPQVOX-UHFFFAOYSA-N
-rxn:4:191195:223124,CC(C)NC(=O)c1cccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c1,OKHILZLBOCDVDE-UHFFFAOYSA-N
-rxn:4:191195:227012,CC(C)CSc1ccccc1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,BGJCOQZXPMIAPY-UHFFFAOYSA-N
-rxn:4:191835:223588,COc1c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc(F)c(F)c1[N+](=O)[O-],YXDNRHOOFIPJGS-UHFFFAOYSA-N
-rxn:4:192095:223532,CCc1ccc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(F)(F)F)n1,SKCBBGVZKQTHDP-UHFFFAOYSA-N
-rxn:4:192746:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(CN4CCC(F)(F)C4)o3)cc2[N+](=O)[O-])CC1,WLIFWCRNHUVOIN-UHFFFAOYSA-N
-rxn:4:192802:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ncccc3-c3cccc(C(F)(F)F)c3)c(F)c2)CC1,WXGLUUOJWBGJOL-UHFFFAOYSA-N
-rxn:4:192825:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(N3CC(F)(F)C3)c2)c(C(F)(F)F)c1,CNWIBJSQKNBBSH-UHFFFAOYSA-N
-rxn:4:192828:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3-c3ccncc3)c(F)c2)CC1,DLUPFQNEJDCKIM-UHFFFAOYSA-N
-rxn:4:193000:223541,O=C(c1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)n1)C1CCCC1,IAGHLYDIYZFMJO-UHFFFAOYSA-N
-rxn:4:193119:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(C(=O)N4CC(F)(F)C4)cc3C)cc2)C1,FLGGMEFPTSHXHT-UHFFFAOYSA-N
-rxn:4:193294:224022,FC1(F)CCN(c2ccc(C(F)(F)F)c(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2)C1,SPLFRAXAIMFGID-UHFFFAOYSA-N
-rxn:4:193481:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2ccc(CN3CCC(=O)CC3)c(F)c2)cc1F,DRMZMSOIWINHAP-UHFFFAOYSA-N
-rxn:4:193503:222694,Cc1c(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,MPHYKCBSPGNIRI-UHFFFAOYSA-N
-rxn:4:193509:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1cc(C(=O)N2CCS(=O)(=O)CC2)ccc1F,WPTFMBCLSGPRDW-UHFFFAOYSA-N
-rxn:4:193610:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(F)cc(CN2CCCC(F)(F)C2)c1,RBYJGXXWBWWXMO-UHFFFAOYSA-N
-rxn:4:193632:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(F)(F)CC4)cc3)c(F)c2)CC1,SPQFTJWMGBRJRJ-UHFFFAOYSA-N
-rxn:4:193644:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2ccc(C(F)(F)F)c(N3CCCC(F)(F)C3)c2)c1,QXKBLHUSWOPACL-UHFFFAOYSA-N
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-rxn:4:213195:223074,O=C(C1CCOCC1)N1CCC(COc2ncc(-c3cccc(NS(=O)(=O)C4CC4)c3)cn2)CC1,PWVFRVUNMVEOPW-UHFFFAOYSA-N
-rxn:4:213195:227007,CC(C)OCc1cccc(-c2cnc(OCC3CCN(C(=O)C4CCOCC4)CC3)nc2)c1,OHUXFINZRXZVFA-UHFFFAOYSA-N
-rxn:4:213196:223074,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)C4CC4)c3)cn2)C1,PYBFKJFBIVPSAW-UHFFFAOYSA-N
-rxn:4:213199:222442,COc1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)c(C(=O)N2CCC(Oc3nc(C)cc(C)n3)C2)c1,ZGCAOVQLPVPICP-UHFFFAOYSA-N
-rxn:4:213236:222853,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(CN5CCC(O)CC5)cc4)cn3)C2)cc1C,SHQWKNJSNMGWPB-UHFFFAOYSA-N
-rxn:4:213253:225043,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ccncc3-c3ccc(OC4CCCCC4)c(F)c3)C2)CC1,JICSUMPWDRAVPF-UHFFFAOYSA-N
-rxn:4:213259:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)c1,DNEZHTIWTJXHFR-UHFFFAOYSA-N
-rxn:4:213266:228337,CCOc1cc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)C)CC3)n2)cn1,UBXKTSFXRLWMQE-UHFFFAOYSA-N
-rxn:4:213268:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)c1,QEKVMYMJXLWXDH-HKBZMFSCSA-N
-rxn:4:213269:224734,COc1ccc(-c2ccc(C(F)(F)F)cc2OCC2CC2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,LUYUPPHNBCCLAQ-UHFFFAOYSA-N
-rxn:4:213269:224886,COc1ccc(-c2ccc(CN3CCC(C)CC3)cc2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,RBVABMJIQAKNFM-UHFFFAOYSA-N
-rxn:4:213353:226129,O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(Oc2ccncc2-c2cccc(CN3CCCC3)c2)C1,BIORBBHFZPICMM-UHFFFAOYSA-N
-rxn:4:213361:224399,C#CCn1c(=NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)ccc21,SBVWVBYNAOBWDQ-UHFFFAOYSA-N
-rxn:4:213412:225902,CON(C)C(=O)c1ccc(-c2ccc3c(C(=O)N4CCC(S(=O)(=O)CC(C)C)CC4)n(C)nc3c2)cc1F,VTNUDBLBWANHNV-UHFFFAOYSA-N
-rxn:4:213427:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc(-n2c(SCC(=O)N3CCCc4ccccc43)nc3c(c2=O)SCC3)cc1,DDVAHQNNOMHFQF-UHFFFAOYSA-N
-rxn:4:213440:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2ccc3ccn(CC(=O)N4CCN(C(=O)C5COc6ccccc6O5)CC4)c3c2)c1,QSIARONQKKCXOX-UHFFFAOYSA-N
-rxn:4:213474:224973,CN1CCN(Cc2cccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)c2)CC1,BJQLQHKRIDNLSG-UMSFTDKQSA-N
-rxn:4:213476:222933,CC(C)(C)OC(=O)Nc1ncc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cn1,QHQKKSFPPWICIB-WHENKJQJSA-N
-rxn:4:213480:225602,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C5(C#N)CCC5)ccc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,RIFQQKFNODRBEH-SIGULORKSA-N
-rxn:4:213480:225784,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CN5CCOCC5)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,GVKKUKDPOIGOFS-WKGIXAQJSA-N
-rxn:4:213658:223588,Cc1cc(-c2cnn(CC3CN(C(=O)C4CCCO4)C3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,KWOBVIMWQDZJFV-UHFFFAOYSA-N
-rxn:4:213680:224072,COCCCOc1ccc2cc(-c3cc(N4CCN(CC(F)(F)F)CC4)c([N+](=O)[O-])cc3F)ccc2c1,QCXAPBJCKIEAIN-UHFFFAOYSA-N
-rxn:4:213686:224714,CCCCOc1ccc(-c2cnn(CC3CN(C(=O)C(C)(C)C)C3)c2)cc1C(F)(F)F,ABHDONFUVADBDI-UHFFFAOYSA-N
-rxn:4:213717:222821,CC(=O)N1CCCCC1CCc1cnc(-c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cn1,VIVMZDIMNXBPNI-UHFFFAOYSA-N
-rxn:4:213757:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(CC2CCN(S(=O)(=O)N(C)C)C2)n1,RNXXVVUSSTUTCD-UHFFFAOYSA-N
-rxn:4:213805:225898,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,UNECGDJDVMLYPM-UHFFFAOYSA-N
-rxn:4:213835:225428,CCCCC(=O)c1ccc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,IALMXLADYXFXFO-UHFFFAOYSA-N
-rxn:4:213875:224759,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)n2)CC1,WMEMSROMNYEMHR-UHFFFAOYSA-N
-rxn:4:213879:223032,CCCNC(=O)c1ccc(-c2ncccc2N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,VDYGWQAAJMCFES-UHFFFAOYSA-N
-rxn:4:213885:222634,CC(C)(C)OC(=O)N1CCCC(c2ccnc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)C1,UTFSQDKUOJPJRN-UHFFFAOYSA-N
-rxn:4:213894:225976,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3F)cn2)CC1,TUMJRMOHESCJDC-UHFFFAOYSA-N
-rxn:4:213900:225883,CC(C)(C)OC(=O)N1CCCC(c2ncc(-c3cnc(C4CCOCC4)c(Cl)c3)cn2)C1,IPKPOYSAQUZSIW-UHFFFAOYSA-N
-rxn:4:213924:224355,O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)c(-c2ccc(N3CCC4(CC3)OCCO4)nc2)c1,OOKMSJAOYBKVHG-UHFFFAOYSA-N
-rxn:4:213930:222826,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cn3)C2)cc1F,NCYJCKBNQVAIBW-UHFFFAOYSA-N
-rxn:4:213947:225044,CC1CN(C(=O)OC(C)(C)C)CCC1n1ccc(-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)n1,YLSVDVDOBWWROZ-UHFFFAOYSA-N
-rxn:4:213972:228089,CCCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,YDAQJEHVACHGBS-UHFFFAOYSA-N
-rxn:4:213980:225259,CCN(CC)S(=O)(=O)c1ccccc1-c1ccnc(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,OQLPFRBAROEGEJ-UHFFFAOYSA-N
-rxn:4:213994:225207,Cc1c(-c2cncc(N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2)cc(C2CC2)cc1C(F)(F)F,RDHTXJQWKGODNO-MRXNPFEDSA-N
-rxn:4:213996:223045,CC(C)NC(=O)c1ccc(F)c(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2C)c1,FLASVLVEPISLPT-UHFFFAOYSA-N
-rxn:4:214002:222826,Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2)CC1,ZICWYUWLYIMUPT-UHFFFAOYSA-N
-rxn:4:214011:222909,Cc1nn(S(=O)(=O)c2ccc(-c3ccnc(NC(=O)OC(C)(C)C)c3)cc2)c(C)c1S(=O)(=O)N1CCCC1,GZSCKKODDSDLLH-UHFFFAOYSA-N
-rxn:4:214026:222799,Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1S(=O)(=O)NC(C)(C)C,VXJYGIOTDMUKOL-UHFFFAOYSA-N
-rxn:4:214033:226176,CC(C)[C@H]1COC(c2cc(-c3ccncc3C3CCCCC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,ARKYMEQDTSQRLJ-CLJLJLNGSA-N
-rxn:4:214050:224222,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2cc(F)c(OCc3ccccc3)c(F)c2)cc1F,ATHDXGLDGDKPSQ-MOPGFXCFSA-N
-rxn:4:214061:222389,c1ccc([C@H]2COC(c3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc(C4=N[C@@H](c5ccccc5)CO4)n3)=N2)cc1,NDTAMJBFSMAPEV-LQFQNGICSA-N
-rxn:4:214125:222610,CC(C)(C)OC(=O)Nc1cc(-c2nn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc23)cc([N+](=O)[O-])c1,NEEOCPWXISZLCO-UHFFFAOYSA-N
-rxn:4:214181:223812,CCCC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3s2)CC1,BEIICOLBUZNUKV-UHFFFAOYSA-N
-rxn:4:214219:224318,CN1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(Oc5nc6ccc(F)cc6s5)CC4)c3)cc2F)CC1,UDPAVWHSSMBXOT-UHFFFAOYSA-N
-rxn:4:214230:224668,CCN1CCN(c2cc(F)cc(-c3cnc4c(C5=CCN(C(=O)OC(C)(C)C)CC5)c[nH]c4c3)c2)CC1,VZFWHYAIQYALAC-UHFFFAOYSA-N
-rxn:4:214305:223841,Cc1cc(F)c(-c2ccc(C(=O)N3CCN(C(=O)c4cc5ccccc5n4C)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,CIAIUIORRVPWAY-UHFFFAOYSA-N
-rxn:4:214321:225767,CC(C)COc1c(F)cc(-c2ccc3c(c2)ncn3C2CCCN(C(=O)OC(C)(C)C)CC2)cc1F,AQHQTCITNKQRKL-UHFFFAOYSA-N
-rxn:4:214331:222446,COc1ccc(CNC(=O)c2ccc(F)c(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCOCC5)cc3)n4C)c2)cc1,BGKLCEDZXWKTAY-UHFFFAOYSA-N
-rxn:4:214388:222426,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)c(OC)cc12)CC3,WHGBMELORCLTEU-UHFFFAOYSA-N
-rxn:4:214631:224394,Cc1ccc(-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)cc1S(=O)(=O)N1CCOCC1,KCMUVKPNLAOSRL-UHFFFAOYSA-N
-rxn:4:214635:222740,CC(C)c1cc(-c2cccc(N3CCN(CC(F)(F)F)CC3)n2)cc(C2CCCNC2)n1,FVQXGDDENLPEFE-UHFFFAOYSA-N
-rxn:4:214655:223502,CC(C(=O)N1CCC(F)(F)CC1)n1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cn1,MCDJXGFHBYHJSV-UHFFFAOYSA-N
-rxn:4:214655:224750,CC(C(=O)N1CCC(F)(F)CC1)n1cc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)cn1,DQFASIHPSVLYQH-UHFFFAOYSA-N
-rxn:4:214660:224009,COc1ccc(-c2cnn(C)c2C(=O)N2CCC(C(F)(F)F)CC2)cc1S(=O)(=O)N1CCOCC1,KNENLQNYYVRRQW-UHFFFAOYSA-N
-rxn:4:214680:225004,Cn1cc(-c2ccc(CN3CCC(=O)CC3)cc2)c(CN2CCCC(C(F)(F)F)C2)n1,PYWZSXXXGHPUKA-UHFFFAOYSA-N
-rxn:4:214683:222707,CCN1CCN(C(=O)c2ncc(-c3ccnc(CNC(=O)OC(C)(C)C)c3F)cc2Cl)CC1,QQFBIGFFQMZTOL-UHFFFAOYSA-N
-rxn:4:214705:224818,CS(=O)(=O)N1CCC(Cc2cnc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)CC1,NAVBTEFZCZTXSZ-UHFFFAOYSA-N
-rxn:4:214713:224592,N#CC1(c2ccc(F)c(-c3cnccc3N3CCN(C(=O)C4CC4)CC3)c2)CCCCC1,NMLLVDGQAWPRGM-UHFFFAOYSA-N
-rxn:4:214818:223115,CC(=O)NCCc1ccc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)cc1,KVRPOCPEBKXGCF-UHFFFAOYSA-N
-rxn:4:214835:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,QTABESFQDHLDLR-RZWCHVLBSA-N
-rxn:4:214835:223787,CN1CCN(CCCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cc2F)CC1,OXFUDQRBAWZVQX-UHFFFAOYSA-N
-rxn:4:214836:225093,CCCOc1c(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1OCC,GLDMZUHKGFLECH-UHFFFAOYSA-N
-rxn:4:214839:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)c2Cl)CC1,UJOXFEPUQXOPKU-UHFFFAOYSA-N
-rxn:4:214839:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)c2)CC1,NOVQPSHMLURXMG-UHFFFAOYSA-N
-rxn:4:214852:225715,COCCOCc1cc(-c2cncc(C(=O)N3CCC(N4CCCC4)CC3)c2)ccc1F,HTZJMOVIJHTVLE-UHFFFAOYSA-N
-rxn:4:214870:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(Cl)cnc3N3CCCC(C(=O)N4CCOCC4)C3)c2Cl)CC1,UAOROQPMUQZNSP-UHFFFAOYSA-N
-rxn:4:214871:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,RCBBCGPVQJPVQU-UHFFFAOYSA-N
-rxn:4:214879:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc(N2C(=O)CC(N3CCN(CC)CC3)C2=O)cc1,VEUQMGFDLKTGGX-UHFFFAOYSA-N
-rxn:4:214881:225373,COc1cc(-c2cccnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(Cl)cc1OC(F)(F)F,UHEAQGZDHRHESQ-UHFFFAOYSA-N
-rxn:4:214883:226755,COC(=O)c1cc(-c2cnccc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(Cl)cc1F,VWPSATRGZQRYPL-UHFFFAOYSA-N
-rxn:4:214991:223489,CCOC(=O)c1nc2cncc(C)n2c1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,PFAWIYKZPHCXSH-UHFFFAOYSA-N
-rxn:4:215061:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)cc1,XDLUFPKQIPDDAI-HNNXBMFYSA-N
-rxn:4:215105:224967,COC(=O)c1cc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc(C(C)(C)C)c1,VBHORHOMCKPZMB-UHFFFAOYSA-N
-rxn:4:215107:222908,CC(C)(C)OC(=O)Nc1cncc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CCC3)c1,PYHSSNCULLXPNX-UHFFFAOYSA-N
-rxn:4:215107:224842,CC(C)(C)OC(=O)N1CCCn2ncc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2C1,HJBRGAYOMIXQQH-UHFFFAOYSA-N
-rxn:4:215127:223812,O=C(C1CC1)N1CCN(c2nc3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3s2)CC1,UZSKTTFOGWUIAQ-UHFFFAOYSA-N
-rxn:4:215131:224485,Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,WMHWCPSSBZIMES-UHFFFAOYSA-N
-rxn:4:215146:223041,CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(-c4cc(C(=O)NC5CC5)ccc4F)c3)c2C1,WWWWMMUUYNTRHS-UHFFFAOYSA-N
-rxn:4:215170:223178,CONC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,BLEVIDPWULCXKE-UHFFFAOYSA-N
-rxn:4:215188:222938,O=C(NCC(F)(F)F)c1cccc(-c2ccc(N3C(=O)N(c4ccc([N+](=O)[O-])cc4)C4CS(=O)(=O)CC43)cc2)c1,JGSBRCSCQXMSSA-UHFFFAOYSA-N
-rxn:4:215197:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)cc1S(=O)(=O)NC1CCCC1,WIDXHRLQSYULEU-UHFFFAOYSA-N
-rxn:4:215277:223695,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)ccc2OC3c2ccncc2)cc1,FQVMXBPNBPYPRE-UHFFFAOYSA-N
-rxn:4:215285:225337,COc1ccc(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccc(-c3cc(F)cc(COCC(F)(F)F)c3)cc2)cc1,XFBHMDPMWQBIRI-UHFFFAOYSA-N
-rxn:4:215293:222848,CCCN1C(=O)C2(c3cc(-c4cc(CC)nc(C5CCCNC5)c4)ccc31)c1[nH]c3ccccc3c1CCN2C(C)=O,YHTRMVXYKJZPHW-UHFFFAOYSA-N
-rxn:4:215293:223021,CCCN1C(=O)C2(c3cc(-c4cccc(C(=O)NCCOC)c4)ccc31)c1[nH]c3ccccc3c1CCN2C(C)=O,RQISWXYPTDTTIF-UHFFFAOYSA-N
-rxn:4:215298:223168,CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3cccnc3N3CCNCC3)cc12,QZBIHBBPEBESMG-UHFFFAOYSA-N
-rxn:4:215298:226496,CCN(CC)c1cc(F)c(-c2ccc3c(c2)C2(C(=O)N3C)c3[nH]c4ccccc4c3CCN2C(=O)CC(C)C)cn1,SOBFCAIPQOIHFI-UHFFFAOYSA-N
-rxn:4:215304:222776,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CN5CCC(O)CC5)cc4F)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,UYSZPDNSFGPCHN-UHFFFAOYSA-N
-rxn:4:215766:222584,Cn1ncc(C(=O)N2CCOCC2)c1-c1ccc(OCCCN2CCNCC2)c(F)c1,MCDVIAHCYXTTCB-UHFFFAOYSA-N
-rxn:4:215900:222465,CN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)nc2)CC1,BSHJJHTWEQBSGH-UHFFFAOYSA-N
-rxn:4:215918:222465,CN1CCN(C(=O)c2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cn2C)CC1,UQMLUVVUWLHERO-UHFFFAOYSA-N
-rxn:4:216053:223506,COC(=O)c1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc12,KXNPTMAURLNTEQ-UHFFFAOYSA-N
-rxn:4:216095:223489,CN(C)CC1COc2c(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cnn21,BJRJKKGOKOJPJF-UHFFFAOYSA-N
-rxn:4:217196:223712,COc1ccc(-c2cnc(N3CCC(C)CC3)nc2Cl)cc1C12CC3CC(CC(C3)C1)C2,JORMCGFCDGFNAZ-UHFFFAOYSA-N
-rxn:4:217690:223521,CC(c1cccc(-c2cnc(N3CC4CC3CS4)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,IZQSLXZCRLGUMN-UHFFFAOYSA-N
-rxn:4:218588:225312,CN1CCCN(c2ncc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc3)cn2)CC1,OLCAVCZZPSJVSV-UHFFFAOYSA-N
-rxn:4:218606:225898,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,UXBBENKDQCMTLN-UHFFFAOYSA-N
-rxn:4:218656:223065,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCNCC4)cc3F)cn2)C1,PKLDBJFJVDAIGS-UHFFFAOYSA-N
-rxn:4:218676:226924,Cc1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2C)c(C)c(C2CC2)c1,LZYMSFPPHWWIKF-UHFFFAOYSA-N
-rxn:4:218682:224400,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCOCC5)c(C(F)(F)F)c4)cn3)C2)CC1,RLINPGOVGFOPKZ-UHFFFAOYSA-N
-rxn:4:218709:223812,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cc4)n[nH]3)CC2)c1,IDHFIFZNQRWENQ-UHFFFAOYSA-N
-rxn:4:218711:222954,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc4c(c3)[nH]c3ccccc34)CC2)CC1,XHCSAUQVSDOXJV-UHFFFAOYSA-N
-rxn:4:218711:226635,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cncc(-c4cnccn4)c3)CC2)CC1,XXBSOHSDHBWDAW-UHFFFAOYSA-N
-rxn:4:218768:225313,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(N2CCN(C)CC2)nc1F,YVFMHJHLTSWZEF-UHFFFAOYSA-N
-rxn:4:218768:225975,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccnc(N2CCOCC2)c1Cl,GMIWRNYNJANCBV-UHFFFAOYSA-N
-rxn:4:218824:222693,CN(CC1CN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,YCPCOTUVFWLSGK-UHFFFAOYSA-N
-rxn:4:218824:224952,CN(CC1CN(c2ncc(-c3cccc(CCN4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,FOQUBUFEXBFTIO-UHFFFAOYSA-N
-rxn:4:218831:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)cc2)CC1,VVSQMERSNZKCSN-UHFFFAOYSA-N
-rxn:4:218867:225447,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OC4CCCCC4)cc3)c2)no1,BCDUKKGJCBOCQO-UHFFFAOYSA-N
-rxn:4:218868:222896,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cc2)no1,MVYGYUUMXNPVDT-UHFFFAOYSA-N
-rxn:4:218868:226659,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCC4)c(Cl)c3)cc2)no1,XEJPMXQBFDCNLP-UHFFFAOYSA-N
-rxn:4:218877:223664,O=C(CN1CCOC1=O)N1CCCC(Oc2ncc(-c3ccc(COc4ccc(OC(F)(F)F)cc4)cc3)cn2)C1,QTIBTFYOVAJWPX-UHFFFAOYSA-N
-rxn:4:218886:222723,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,JJYYWTYZBYPBTE-UHFFFAOYSA-N
-rxn:4:218889:224396,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cn3)C2)no1,HYYVUVIDTIYSQC-UHFFFAOYSA-N
-rxn:4:218944:227213,CCCCSc1cncc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c1,LASHXVPOFDSVKB-UHFFFAOYSA-N
-rxn:4:218992:225558,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccccc4OCC4CCOC4)cn3)C2)CC1,HHACCPBVOXAPIO-UHFFFAOYSA-N
-rxn:4:218992:226552,CCCOc1c(F)cc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)cc1Cl,JDXSWLNEQNXCTR-UHFFFAOYSA-N
-rxn:4:218992:228306,CC(C)Sc1ncc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)cn1,RAQRTEHXBVEJJE-UHFFFAOYSA-N
-rxn:4:218995:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1ccc(C(=O)N2CCN(CCn3nc(C)cc3C)CC2)o1,LLMVGTDLTKAQGP-UHFFFAOYSA-N
-rxn:4:219001:223080,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3ccc(S(=O)(=O)NC(C)C)cc3)C2)C(=O)C1=O,LKEQGJHRAYEWRU-UHFFFAOYSA-N
-rxn:4:219012:226253,CCCOc1cc(OC)cc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)C3)nc2)c1,NYGRLUIGPMAAAO-UHFFFAOYSA-N
-rxn:4:219012:227082,CN(c1ncc(-c2ccccc2N2CCCC2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,CCVMTGXCQIJQTF-UHFFFAOYSA-N
-rxn:4:219016:222829,CNS(=O)(=O)c1ccc(-c2cncc(C(=O)N3CCCC(N(C)c4ncccc4C(F)(F)F)C3)c2)c(C(F)(F)F)c1,OBCJPKMZPDEUJI-UHFFFAOYSA-N
-rxn:4:219036:224328,Cc1nc(-n2cccc2)sc1C(=O)N1CCC(Oc2ncccc2-c2cccc(S(=O)(=O)N3CCCCC3C)c2)CC1,JQGKCOPNMMBBBC-UHFFFAOYSA-N
-rxn:4:219046:226259,CCCCOc1ccc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cc1Cl,OCVBNTLCHSCQAU-UHFFFAOYSA-N
-rxn:4:219078:225896,COCCOc1cc(-c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c(F)cc1F,AERXNVMTAUXJLV-UHFFFAOYSA-N
-rxn:4:219093:223893,CCC(=O)C1=C(c2ccc(-c3cccc(OCCN4CCN(CC)CC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,SNQWYRBRCAMWNX-UHFFFAOYSA-N
-rxn:4:219129:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)cc2F)CC1,LMZMTURHHTUFMO-UHFFFAOYSA-N
-rxn:4:219155:224752,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C)c2)C3)nc1,IENRXKQIIANRIQ-UHFFFAOYSA-N
-rxn:4:219174:222915,O=C(NC1=NCCS1)c1ccc(-c2ccccc2CCC(=O)N2CCCc3cnc(N4CCOCC4)nc32)cc1,AOZGFHSNAXNQRP-UHFFFAOYSA-N
-rxn:4:219182:225977,COc1ccc(-c2cc(Cl)cnc2N2CCOCC2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,KPYFRGROIGXLDT-UHFFFAOYSA-N
-rxn:4:219207:223279,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4cnc(C5CCCN5)nc4)cc3)cs2)CC1,XERYQDIPDBIVJO-UHFFFAOYSA-N
-rxn:4:219340:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)c3ccccc23)CC1,CVCTYIRPXHSNQJ-UHFFFAOYSA-N
-rxn:4:219348:223755,COc1nccnc1N1CCC(Oc2ccncc2-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)C1,GDRSGPZXWWFFMW-UHFFFAOYSA-N
-rxn:4:219402:224722,CN(C(=O)OC(C)(C)C)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccn1,NKXUTXAPOBVIRY-UHFFFAOYSA-N
-rxn:4:219410:223181,CCNS(=O)(=O)c1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,PYSKJAFWWXDYNE-UHFFFAOYSA-N
-rxn:4:219471:225043,CSc1ncc(-c2ccc(OC3CCCCC3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,ACXBWLJMEBCRKD-UHFFFAOYSA-N
-rxn:4:219495:223640,CCOC12C(=O)c3cc(F)cc(-c4cnccc4OC4CCN(c5cc(C6CCC6)ncn5)C4)c3C(=O)C1C2(C)C,OFPJPARQDXERKX-UHFFFAOYSA-N
-rxn:4:219497:224968,Cc1ccc(OCC2CCCO2)c(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)c1,IARAAVLEIDNWOS-UHFFFAOYSA-N
-rxn:4:219500:224210,N#Cc1cc(-c2cccc(OCc3ccc(F)cc3Cl)c2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,SKVVYRBDMKWFNC-UHFFFAOYSA-N
-rxn:4:219533:222584,CSc1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,DDFDVEHPCUMTHH-UHFFFAOYSA-N
-rxn:4:219552:225828,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cnc(N2CCCCCC2)nc1,SLEZAHYQKPFQJV-UHFFFAOYSA-N
-rxn:4:219565:227657,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCOCC5)s4)cc3)CC2)n1,ZVDAVDRTMYXDDW-UHFFFAOYSA-N
-rxn:4:219624:224323,Cc1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)o2)cc(C)c1S(=O)(=O)N1CCCC1,PPBCNBJANQSQAO-UHFFFAOYSA-N
-rxn:4:219627:226007,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3ccc(F)c(OCC(F)(F)F)c3)s1)C2,LMLVEZNBAKHWIG-UHFFFAOYSA-N
-rxn:4:219630:225294,CCN1CCN(c2ncc(-c3cc(C#N)c4[nH]nc(C5CCN(S(=O)(=O)CC)CC5)c4c3)cn2)CC1,GIWYLBDOEMTGAE-UHFFFAOYSA-N
-rxn:4:219654:222723,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cc23)CC1,TVLFDPQJUJTGTP-UHFFFAOYSA-N
-rxn:4:219654:224658,CC(=O)N1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cc2)CC1,JUPUYFLNYSFSBJ-UHFFFAOYSA-N
-rxn:4:219654:225898,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cnn(CCN5CCOCC5)c4)cc23)CC1,CKVIKPNWJRTGNG-UHFFFAOYSA-N
-rxn:4:219678:225641,CC1CCCN(c2cc(-c3ccccc3S(=O)(=O)N3CC4CN(c5ccc(C#N)cn5)CC4C3)ccn2)C1,MHJJJWZZMLHHLD-UHFFFAOYSA-N
-rxn:4:219688:225975,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccnc(N5CCOCC5)c4Cl)cn3n2)CC1,LWMCPULJHUNIEO-UHFFFAOYSA-N
-rxn:4:219704:224195,CCN1CCN(Cc2cc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)ccc2Cl)CC1,IXAPINOARLSPAL-UHFFFAOYSA-N
-rxn:4:219704:224398,Cc1cc(F)c(-c2ccc3ncc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3c2)cc1S(=O)(=O)N1CCCC1,WUCLBAHPQHKWJV-UHFFFAOYSA-N
-rxn:4:219759:225984,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(Cl)c(N5CCOCC5)c4)cc2)OC3)CC1,MYCGYYMNWXBEQB-UHFFFAOYSA-N
-rxn:4:219825:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C(=O)N3CC(n4nccn4)C3)o2)CC1,FPWRBIXDOXFEGK-UHFFFAOYSA-N
-rxn:4:219904:225261,CCN(CC)S(=O)(=O)c1cccc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)c1,LWIMOAQZLZMXFM-UHFFFAOYSA-N
-rxn:4:219908:222693,CN1CCCN(c2oc(-c3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)o3)nc2C#N)CC1,ZWGNLHSFBQVDJQ-UHFFFAOYSA-N
-rxn:4:219908:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-c2nc(C#N)c(N3CCCN(C)CC3)o2)o1,VLTNOVCOENEMMJ-UHFFFAOYSA-N
-rxn:4:219908:224325,CN1CCCN(c2oc(-c3ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)o3)nc2C#N)CC1,BSCXSHOYBIPYTE-UHFFFAOYSA-N
-rxn:4:219975:225902,CON(C)C(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)cc1F,BRKNAPBDMOOBMF-UHFFFAOYSA-N
-rxn:4:220039:222723,CC(C)(C)OC(=O)N1CCc2nnc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2C1,HTWIZIWKZXBUAT-UHFFFAOYSA-N
-rxn:4:220154:222789,CC(C)(C)OC(=O)Nc1ccc(F)cc1-c1ccccc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1,SJGCEHZIZINYIX-UHFFFAOYSA-N
-rxn:4:220205:223026,CCCNC(=O)c1ccc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)cc1F,BDDMMVVFBGRXAS-UHFFFAOYSA-N
-rxn:4:220226:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCCC(C(=O)N6CCOCC6)C5)ncc4c3)c(Cl)c2)CC1,MDDUSHLBRQLBHP-UHFFFAOYSA-N
-rxn:4:220404:224325,CN1CCN(C(=O)c2cnn(C)c2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,ZMSWUTGYHIOLGE-UHFFFAOYSA-N
-rxn:4:220407:223960,CCN1CCN(C(=O)c2cc(-c3cn(C)nc3CN3CCN(C)CC3)ccc2F)CC1,RGGBOPNBVXECLG-UHFFFAOYSA-N
-rxn:4:220545:222705,FC(F)(F)c1cc(-c2cnc(N3CCC(N4CCc5sccc5C4)CC3)nc2)cc(C2CCNCC2)c1,VCQODTYTBWIPJV-UHFFFAOYSA-N
-rxn:4:220558:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cc3c(s2)-n2c(nnc2C2CCCCC2)CN=C3c2ccccc2Cl)C1,OBEGDZXZLLHYLP-UHFFFAOYSA-N
-rxn:4:220935:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc3ccc(N4CCOCC4)nn23)CC1,VKTCMPUBXUOKLK-UHFFFAOYSA-N
-rxn:4:221100:224759,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,ZTPBPIVDVGXDBE-UHFFFAOYSA-N
-rxn:4:221111:228543,CCCCc1ccsc1-c1cccc(N2CC(C(=O)N3CCN(CCn4ccnc4)CC3)CC2=O)c1,OXTTWUQRWPLFHH-UHFFFAOYSA-N
-rxn:4:221113:225010,O=C(Cc1ccccc1-c1ccc(F)c(CN2CCCCC2)c1)N1CCN(Cc2nncn2C2CCCCC2)CC1,JWJNHLUGSKKBPV-UHFFFAOYSA-N
-rxn:4:221116:228953,CCOc1ccc(-c2cc(F)cc(F)c2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,TZBZWMZHVZMLIA-UHFFFAOYSA-N
-rxn:4:221121:223179,CONC(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)ccc1F,YIILNVRNTIPBDK-UHFFFAOYSA-N
-rxn:4:221152:223533,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)C1,UUIVEDZHGQXQIO-UHFFFAOYSA-N
-rxn:4:221168:224337,Cn1cc(CN2CCCC(COc3ncc(-c4cnc(C(F)(F)F)c(C5CCCCC5)c4)cn3)C2)cn1,VAQOXRWSRXUIPI-UHFFFAOYSA-N
-rxn:4:221173:224620,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(CO[Si](C)(C)C(C)(C)C)nc4)cn3)C2)ccc1=O,AOEGSUYPSOSINP-UHFFFAOYSA-N
-rxn:4:221180:222776,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(CN5CCC(O)CC5)cc4F)cn3)CC2)nn1C,VIMBHBGHEYOUQJ-UHFFFAOYSA-N
-rxn:4:221181:225898,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)nn1C,IPZCWHQXNJPCGY-UHFFFAOYSA-N
-rxn:4:221182:222834,CCC(CC)NC(=O)c1ccc(-c2cnc(N3CCC(N4CC(=O)N(CCOC)C4=O)CC3)nc2)cc1,MOFCRGOFPKRJCN-UHFFFAOYSA-N
-rxn:4:221183:222770,Cc1nn(C)cc1CN1CCCC(COc2ncc(-c3ccc(C(=O)NC4CCCC4)c(Cl)c3)cn2)C1,ZBGUAMPHLAWIGQ-UHFFFAOYSA-N
-rxn:4:221191:222632,Cc1cc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)nc(C2CC2)n1,MVYIDEXSYKQELZ-UHFFFAOYSA-N
-rxn:4:221205:222459,O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1,VZEYJXQAEREGGX-UHFFFAOYSA-N
-rxn:4:221227:222584,O=C(c1ccc2nccnc2c1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,OABZVFJJFMNDKI-UHFFFAOYSA-N
-rxn:4:221230:225890,C[Si](C)(C)CCOCn1cc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)CCC5)C3)nc2)cn1,TXONOHAOQHBTTH-UHFFFAOYSA-N
-rxn:4:221232:222775,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(CN5CCC(O)CC5)c(F)c4)cn3)C1)CCOC2,ZUYDAOOAFDUYRD-UHFFFAOYSA-N
-rxn:4:221232:224586,CC1CCN(Cc2ccc(F)cc2-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)CC1,IJUNHGNTJGIMOP-UHFFFAOYSA-N
-rxn:4:221233:222628,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)c4)CC3)ccc2n1,BOKFKMJEIKOZAY-UHFFFAOYSA-N
-rxn:4:221382:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cncc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)c3)c2)CC1,NSSOZOXNYPRETI-UHFFFAOYSA-N
-rxn:4:221395:223786,CN1CCN(CCCOc2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2Cl)CC1,QWHFOEWZOLNECM-UHFFFAOYSA-N
-rxn:4:221407:222395,CN(C)c1ccc(N2CCN(Cc3ccc(-c4cccc(C(=O)NC5CCC(O)CC5)c4)cc3)CC2)nn1,OFACTMAMTWVNHG-UHFFFAOYSA-N
-rxn:4:221435:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCN(c5ccc(N6CCCCC6)nn5)CC4)c3)c(F)c2)CC1,UWPSMNAFUCPDIT-UHFFFAOYSA-N
-rxn:4:221443:223608,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCOCC5)c4)c3)CC2)n1,UQBKUYFAWFAGQE-UHFFFAOYSA-N
-rxn:4:221445:225709,Cc1cc(N2CCN(Cc3cccc(-c4ccc(OCCCN(C)C)nc4)c3)CC2)nc(N2CCOCC2)n1,RRIQPHFEKQSWGY-UHFFFAOYSA-N
-rxn:4:221449:222861,CCCCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)ccc1F,PKXHCAXQHZJHRX-UHFFFAOYSA-N
-rxn:4:221449:223240,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNC5)nc4)cc3)CC2)n1,JYCRPYXGUQOYND-UHFFFAOYSA-N
-rxn:4:221451:225363,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(C(=O)N4CC(F)(F)C4)nc3)CC2)n1,YOQVEPROCLATJS-UHFFFAOYSA-N
-rxn:4:221453:223503,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4c(F)cc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cc3)CC2)n1,XDOMEMVXBVBQCQ-UHFFFAOYSA-N
-rxn:4:221455:226541,COC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)cc1OC,YWWMEOCFDQPCSU-UHFFFAOYSA-N
-rxn:4:221520:223975,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCC(COc4cc5c(nn4)CCCC5)CC3)nc2)c2nc(Cl)ccc21,QEKAYRGISQIMJH-UHFFFAOYSA-N
-rxn:4:221521:222583,Cc1nc2c(c(N3CCCC(COc4ncc(-c5ccc(C(=O)NCCN6CCOCC6)cc5)cn4)C3)n1)CCC2,GDFNDBWRCZWJDH-UHFFFAOYSA-N
-rxn:4:221547:224337,COCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)cc2)n(C)c1=O,VAOOGTFSDRZZBB-UHFFFAOYSA-N
-rxn:4:221569:223659,COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)c(=O)n2C)cc1,HWHAKSPUIMQJDF-UHFFFAOYSA-N
-rxn:4:221572:226002,CC(=O)Oc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCC(C)C)c(=O)n3C)cc2)ccc1[N+](=O)[O-],VKIFLLCMISFVAL-UHFFFAOYSA-N
-rxn:4:221779:225319,O=S(=O)(c1ccc(-c2cc(F)c(F)c(N3CCOCC3)c2)cc1)c1nnn2c1nc(N1CCC3(CC1)OCCO3)c1ccccc12,LBUNJRAVKZXIHF-UHFFFAOYSA-N
-rxn:4:221935:224372,N#Cc1nccnc1N1CCCC(COc2ncc(-c3cc(C(=O)N4CCCC4)cc([N+](=O)[O-])c3)cn2)C1,URFNSFXANPBIBC-UHFFFAOYSA-N
-rxn:4:221949:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCCC(Cc5nc(-c6cnccn6)no5)C4)c3)ccc2OC)CC1,OFASKRDNCCOXAU-UHFFFAOYSA-N
-rxn:4:221965:227880,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CCC#N)cc5)cc4)CC3)nn2)CC1,ZCESFHAVECEUTA-UHFFFAOYSA-N
-rxn:4:221982:224484,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccccc6C(=O)N(C(C)C)C(C)C)cc5)no4)C3C2=O)cc1,ONECSIVGXPOXHD-UHFFFAOYSA-N
-rxn:4:222018:224011,Cc1noc(-c2cn(C3CCCN(C(=O)c4cccc(-c5ccc(S(=O)(=O)N6CCN(C)CC6)c(F)c5)c4)C3)nn2)n1,FNTRTLXLVGOEPD-UHFFFAOYSA-N
-rxn:4:222062:222826,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc3)CC2)n1,IBMIFBHGHUMRDX-UHFFFAOYSA-N
-rxn:4:222062:222838,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(=O)C(C)(C)C)cc4)cc3)CC2)n1,PQRDXYRPASDPOG-UHFFFAOYSA-N
-rxn:4:222062:223279,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,SOINMPMARLJFAF-UHFFFAOYSA-N
-rxn:4:222089:224764,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)c1)N1CCOCC1,PGJHKLDFDMLCLL-UHFFFAOYSA-N
-rxn:4:222108:223010,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7(O)CCOCC7)cc6)cc5)no4)C3C2=O)cc1F,UIWBLTABVATVSZ-UHFFFAOYSA-N
-rxn:4:222171:223637,Cc1nc(C(C)(C)C)nc(N2CCN(c3ncc(-c4ccccc4C4CCCN(C(=O)OC(C)(C)C)C4)cn3)CC2)c1C,JGWJDBQQBBMHLI-UHFFFAOYSA-N
-rxn:4:222189:222546,Cc1nnc2ccc(N3CCCN(C(=O)c4ccc(-c5ccc(OCCNC6CCCCC6)c(F)c5)o4)CC3)nn12,RJAGYQOWSJEQCP-UHFFFAOYSA-N
-rxn:4:222193:223602,Cn1nc2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)ccc2c1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1,SRXXRXHGWRQOMW-UHFFFAOYSA-N
-rxn:4:222229:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)c2)CC1,MYOOURHFCRBEDT-UHFFFAOYSA-N
-rxn:4:222332:222839,c1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(NCC5CCCCC5)nc4)cn3)CC2)n1,NAZPSIHSAAHNCQ-UHFFFAOYSA-N
-rxn:4:222333:224407,O=S(=O)(c1cccc(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)c1)N1CCC(F)(F)C1,GACDUOBEXRHDFH-UHFFFAOYSA-N
-rxn:4:222361:222790,COCCn1cnc2c(N3CC4CN(c5ncc(-c6cc(Cl)cc(NC(=O)OC(C)(C)C)c6)cn5)CC4C3)ncnc21,OICCZJSONBFZIJ-UHFFFAOYSA-N
-rxn:4:222513:187055,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(OCC2CCCCC2)cc([N+](=O)[O-])c1,POULFJOMNJVNPN-UHFFFAOYSA-N
-rxn:4:222523:178949,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)C(F)(F)F)cc2Cl)c(C(F)(F)F)c1,RDSUYNKMWSAHDT-UHFFFAOYSA-N
-rxn:4:222581:185166,CC(C)NS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C(F)(F)F)c2ccccc12,IOZYNHBTONNOQC-UHFFFAOYSA-N
-rxn:4:222613:174514,CCCNS(=O)(=O)c1ccc(-c2cccc(O[Si](C(C)C)(C(C)C)C(C)C)c2)c(C(F)(F)F)c1,XAPOYYBUYHCTKQ-UHFFFAOYSA-N
-rxn:4:222722:218847,COc1ncccc1C(=O)N1CCC(Oc2ncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cn2)C1,IGDIWRVDGQOJBH-UHFFFAOYSA-N
-rxn:4:222723:213907,Cc1csc(CN2CCN(C(=O)c3cccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)c3)CC2)n1,ZRCXDGSFZDVKHK-UHFFFAOYSA-N
-rxn:4:222723:218913,Cc1cc(CN2CCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)on1,PGQHEXGUTSHDMD-UHFFFAOYSA-N
-rxn:4:222740:185415,CC(C)c1cc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCCNC2)n1,PNOHFPMWIGVMNI-UHFFFAOYSA-N
-rxn:4:222782:183928,Cc1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)cnc1NC(=O)OC(C)(C)C,BYPKRXXAODMEFQ-UHFFFAOYSA-N
-rxn:4:222821:175582,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c2)ccc1F,JKRINRGIYSILOL-UHFFFAOYSA-N
-rxn:4:222821:204509,CC(C)(C)NS(=O)(=O)c1cc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)C3)ccc1F,NHWLMKCLYWQLEM-UHFFFAOYSA-N
-rxn:4:222842:219354,CN(C1CCN(c2ncc(-c3cccc(C(=O)NC4CCCC4)c3)cn2)C1)S(=O)(=O)C1CC1,USXFFXLTTYBMBD-UHFFFAOYSA-N
-rxn:4:222901:219988,CCCS(=O)(=O)NCc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1,VGULKAXFPOQCCR-UHFFFAOYSA-N
-rxn:4:222910:174169,CCCNS(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)cc(C(=O)OC(C)(C)C)c2)c(C)c1,FZNQYFRVKYAJCR-UHFFFAOYSA-N
-rxn:4:222921:174518,Cc1cc(S(=O)(=O)NC(C)C)ccc1-c1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1F,LMAXVVPMCPUNMT-UHFFFAOYSA-N
-rxn:4:222940:175661,CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(C(F)(F)F)cc(C(=O)OC(C)(C)C)c2F)c1,PBLZWUQDHOWNHQ-UHFFFAOYSA-N
-rxn:4:222971:199999,CC(C)(C)OC(=O)N=c1c2ccc(-c3ccc(NC(=O)C(C)(C)C)cc3)cc2ccn1C(=O)OC(C)(C)C,MGKVSMRJGKTGQT-UHFFFAOYSA-N
-rxn:4:223520:188810,COC(=O)C(C)c1ncccc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,JMVRSUQYXWJNDP-UHFFFAOYSA-N
-rxn:4:223580:174428,COC(=O)c1ccc2c(c1)cc(-c1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C,VVUKHBIEPMMTAS-UHFFFAOYSA-N
-rxn:4:223900:187606,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2ccc(C(=O)c3ccc(CN4CCCCC4)cc3)c(F)c2)cc1F,AWWPKIJRXZILCK-UHFFFAOYSA-N
-rxn:5:176593:225607:223065,CCOC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1ccc(C(C)N2CCCCC2)s1,COAYDRPWCZUHJL-UHFFFAOYSA-N
-rxn:5:176852:222989:222960,COC(=O)c1cc(-c2cc(C)cc(C3CCNCC3)c2)c(OC)c(-c2ccc(N3CCNCC3)cc2C)c1,CRCQKCWIZOLTGU-UHFFFAOYSA-N
-rxn:5:176858:225470:223061,COC(=O)c1cc(-c2ccc(N3CCC(C)CC3)cc2)c(OC)cc1-c1cc(C2CCNCC2)ncc1F,NWJHAHVKDLTYTF-UHFFFAOYSA-N
-rxn:5:176860:223062:223065,COC(=O)c1c(-c2cnc(C3CCNCC3)cc2F)ccc(OC)c1-c1ccc(N2CCNCC2)cc1F,JWDXTEUSVJCDHN-UHFFFAOYSA-N
-rxn:5:176860:223065:223062,COC(=O)c1c(-c2ccc(N3CCNCC3)cc2F)ccc(OC)c1-c1cnc(C2CCNCC2)cc1F,MVRFEAMZQFIVOX-UHFFFAOYSA-N
-rxn:5:176860:225639:223065,COC(=O)c1c(-c2cccnc2N2CCC(C)CC2)ccc(OC)c1-c1ccc(N2CCNCC2)cc1F,IQQIHBPYYDWTSU-UHFFFAOYSA-N
-rxn:5:176863:223061:225871,COC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)cc(OC)c1-c1cccc(N2C(=O)C=CC2=O)c1,QGRHGAKFCGOFHP-UHFFFAOYSA-N
-rxn:5:176863:225926:222959,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc(OC)c1-c1ccc(C2CCNCC2)c(C)c1,CYJBFWWWXIZXEV-UHFFFAOYSA-N
-rxn:5:177181:225666:223064,CC(C)OC(=O)c1ccc(-c2cc(F)cc(N3CCCCC3)c2)c(-c2ccc(C3CCNCC3)nc2F)c1,PWHRMVYUEVMPRR-UHFFFAOYSA-N
-rxn:5:177182:223061:222987,CCOC(=O)c1cc(C)cc(-c2ccc(C3CCNCC3)nc2C)c1-c1cc(C2CCNCC2)ncc1F,WELPGOSNNRIBFF-UHFFFAOYSA-N
-rxn:5:177182:223062:222987,CCOC(=O)c1cc(C)cc(-c2ccc(C3CCNCC3)nc2C)c1-c1cnc(C2CCNCC2)cc1F,LGRVCWHREHOFLM-UHFFFAOYSA-N
-rxn:5:177182:223064:222987,CCOC(=O)c1cc(C)cc(-c2ccc(C3CCNCC3)nc2C)c1-c1ccc(C2CCNCC2)nc1F,MYQVYSNQUDAVEC-UHFFFAOYSA-N
-rxn:5:177183:223061:222987,CCOC(=O)c1cc(C)c(-c2ccc(C3CCNCC3)nc2C)c(-c2cc(C3CCNCC3)ncc2F)c1,XUGXWNLOOHCZDJ-UHFFFAOYSA-N
-rxn:5:177183:223062:222987,CCOC(=O)c1cc(C)c(-c2ccc(C3CCNCC3)nc2C)c(-c2cnc(C3CCNCC3)cc2F)c1,DZZDSTBACJTFCP-UHFFFAOYSA-N
-rxn:5:177183:223064:222987,CCOC(=O)c1cc(C)c(-c2ccc(C3CCNCC3)nc2C)c(-c2ccc(C3CCNCC3)nc2F)c1,WVHJJNADKAAKRR-UHFFFAOYSA-N
-rxn:5:177184:223061:222987,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2C)ccc(C)c1-c1cc(C2CCNCC2)ncc1F,LPVMUJZXHMYXLK-UHFFFAOYSA-N
-rxn:5:177184:223062:222987,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2C)ccc(C)c1-c1cnc(C2CCNCC2)cc1F,GZIMAHFJDLKYJO-UHFFFAOYSA-N
-rxn:5:177184:223064:222987,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2C)ccc(C)c1-c1ccc(C2CCNCC2)nc1F,WYNDVDOVZKBLIB-UHFFFAOYSA-N
-rxn:5:177186:223061:222987,CCOC(=O)c1cc(-c2ccc(C3CCNCC3)nc2C)c(-c2cc(C3CCNCC3)ncc2F)cc1C,MOYLFKCQZNRYKV-UHFFFAOYSA-N
-rxn:5:177186:223062:222987,CCOC(=O)c1cc(-c2ccc(C3CCNCC3)nc2C)c(-c2cnc(C3CCNCC3)cc2F)cc1C,ALKXXODTPRMGIP-UHFFFAOYSA-N
-rxn:5:177186:223064:222987,CCOC(=O)c1cc(-c2ccc(C3CCNCC3)nc2C)c(-c2ccc(C3CCNCC3)nc2F)cc1C,JTADIUPLIAPPDM-UHFFFAOYSA-N
-rxn:5:177187:223061:222987,CCOC(=O)c1cc(C)cc(-c2cc(C3CCNCC3)ncc2F)c1-c1ccc(C2CCNCC2)nc1C,GKCNKBHHLFOUAQ-UHFFFAOYSA-N
-rxn:5:177187:223062:222987,CCOC(=O)c1cc(C)cc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccc(C2CCNCC2)nc1C,PFFMNVAHGCPYOK-UHFFFAOYSA-N
-rxn:5:177187:223064:222987,CCOC(=O)c1cc(C)cc(-c2ccc(C3CCNCC3)nc2F)c1-c1ccc(C2CCNCC2)nc1C,IGMXFCIUBJAZDS-UHFFFAOYSA-N
-rxn:5:177188:223061:222987,CCOC(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(C3CCNCC3)nc2C)c1C,VCUXJRCTQCKGKE-UHFFFAOYSA-N
-rxn:5:177188:223062:222987,CCOC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(C3CCNCC3)nc2C)c1C,XLCSDDYNVVXNKI-UHFFFAOYSA-N
-rxn:5:177188:223064:222987,CCOC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2ccc(C3CCNCC3)nc2C)c1C,DZUHTYGDASJJPC-UHFFFAOYSA-N
-rxn:5:177189:223061:222987,CCOC(=O)c1c(-c2cc(C3CCNCC3)ncc2F)ccc(C)c1-c1ccc(C2CCNCC2)nc1C,OJOLXNACCKNIOB-UHFFFAOYSA-N
-rxn:5:177189:223062:222987,CCOC(=O)c1c(-c2cnc(C3CCNCC3)cc2F)ccc(C)c1-c1ccc(C2CCNCC2)nc1C,YLFLZSRFNLVJGU-UHFFFAOYSA-N
-rxn:5:177189:223064:222987,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1ccc(C2CCNCC2)nc1C,RTYIMFQVTVNBHF-UHFFFAOYSA-N
-rxn:5:177189:225654:223001,CCOC(=O)c1c(-c2ccc(N3CCCC(C)C3)nc2)ccc(C)c1-c1cc(C2CCCNC2)ccc1F,CODJCGRAWGXEID-UHFFFAOYSA-N
-rxn:5:177190:225394:226032,CCS(=O)(=O)Cc1ccc(-c2cc(OC)cc(C(F)(F)F)c2F)c(-c2cc(C3CCC3)cc(C3CC3)c2)c1,YHTGYYBKYWURCW-UHFFFAOYSA-N
-rxn:5:177190:225805:227657,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCOCC3)s2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,RBDMNLHURCWDET-UHFFFAOYSA-N
-rxn:5:177192:223061:222987,CCOC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2C)c(-c2cc(C3CCNCC3)ncc2F)c1C,QBLVGZHVBLSVBZ-UHFFFAOYSA-N
-rxn:5:177192:223062:222987,CCOC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2C)c(-c2cnc(C3CCNCC3)cc2F)c1C,FBWCPTRENMGEIQ-UHFFFAOYSA-N
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-rxn:5:177193:223061:222987,CCOC(=O)c1cc(C)c(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(C2CCNCC2)nc1C,GVCQTKDHPZQZNA-UHFFFAOYSA-N
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-rxn:5:177730:225438:223131,CC(c1ccc(-c2ccc(-c3ccc(N4CCNCC4)cc3)c(C(=O)OC(C)(C)C)c2)cc1)N1CCCC1,XERXBSWPKWRVON-UHFFFAOYSA-N
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-rxn:5:177736:223008:226330,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cc(C3CCNCC3)ccc2F)s1)N1CCCC1,ZQHVFRGTIGJTMU-UHFFFAOYSA-N
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-rxn:5:177891:227404:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cc(N3CCCCC3)cs2)s1)N1CCOCC1,WSUXZCYUKZGAEY-UHFFFAOYSA-N
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-rxn:5:178118:223062:226329,N#CC1(c2ccc(-c3ccc(-c4cnc(C5CCNCC5)cc4F)c(OCC4CCCCO4)c3)cc2F)CC1,RENKTDQIFATDQN-UHFFFAOYSA-N
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-rxn:5:178122:226588:227804,O=[N+]([O-])c1cc(-c2cc(-c3cc(OC4CCC4)ncc3F)ccc2COC2CCCCO2)c([N+](=O)[O-])s1,MDOXBFQYJJGMSZ-UHFFFAOYSA-N
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-rxn:5:178224:223062:227506,O=[N+]([O-])/C=C/c1cccc(-c2cc(OCC3CCCCC3)cc(-c3cnc(C4CCNCC4)cc3F)c2)c1,GGXQRBUFBLVZRK-SDNWHVSQSA-N
-rxn:5:178224:223062:227507,O=[N+]([O-])C=Cc1cccc(-c2cc(OCC3CCCCC3)cc(-c3cnc(C4CCNCC4)cc3F)c2)c1,GGXQRBUFBLVZRK-UHFFFAOYSA-N
-rxn:5:178224:225831:227506,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2)cnc1N1CCOCC1,VYNSIEIAKRJMDI-ZHACJKMWSA-N
-rxn:5:178295:222404:227957,COC(=O)C1(c2cc(-c3ccc(C(C)C)nc3C)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,ATHQASGWVLYOQZ-UHFFFAOYSA-N
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-rxn:5:178295:223006:228716,COC(=O)C1(c2cc(-c3cnc(C#N)c(C)c3)ccc2-c2ccc(F)c(C3CCNCC3)c2)CCC(=O)CC1,WPYHMIIDEMMCNC-UHFFFAOYSA-N
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-rxn:5:178295:223312:228140,COC(=O)C1(c2cc(-c3ccc(C(C)N(C)C)s3)ccc2-c2ccc(C3CNC3)cc2)CCC(=O)CC1,QOMZRHAOZYKLOW-UHFFFAOYSA-N
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-rxn:5:178295:227505:223352,COC(=O)C1(c2cc(-c3ccc(NC(C)C)nc3)ccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)CCC(=O)CC1,DQKRGQPFNAWYNW-SAPNQHFASA-N
-rxn:5:178295:227529:228146,CCc1cncc(-c2ccc(-c3ccc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,WMMOVDVDRKIUPT-UHFFFAOYSA-N
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-rxn:5:178295:227590:226883,COC(=O)C1(c2cc(-c3c(F)ccc(C(F)(F)F)c3F)ccc2-c2ccc(CC(F)(F)F)cc2)CCC(=O)CC1,ORXCBWYRDXXUKH-UHFFFAOYSA-N
-rxn:5:178295:227713:227819,CCc1cc(CC)cc(-c2ccc(-c3cc(F)ccc3OC(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JIMIAFFWAIJZQH-UHFFFAOYSA-N
-rxn:5:178295:228146:227716,CCc1cncc(-c2ccc(-c3cccc(F)c3OC(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)c1OC,ODMFNSYMZFAFJN-UHFFFAOYSA-N
-rxn:5:178295:228435:227356,CCOc1cc(F)c(C)cc1-c1ccc(-c2c(SC)ccc(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,FXRBIMHAWGIQON-UHFFFAOYSA-N
-rxn:5:178313:225394:226190,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2ccc(C3CCCC3)cc2F)c1,CCIAPHXFWNLOLA-UHFFFAOYSA-N
-rxn:5:178313:225450:227312,CCC(C)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C(=O)C3CCCC3)cc2)c(F)n1,RHRHMWRVHZXNFP-UHFFFAOYSA-N
-rxn:5:178313:225499:227066,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCC3)cc2F)c(-c2cccc(C(=O)C3CC3)c2)c1,QGQBVOJUXPNUQQ-UHFFFAOYSA-N
-rxn:5:178313:225817:226921,Cc1cc(C)c(C2CC2)cc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1ccc(C(F)(F)F)c(C2CC2)c1,YAWISFLFXLJXKP-UHFFFAOYSA-N
-rxn:5:178314:225466:227045,CC1CCCCN1c1ccc(-c2ccc(-c3cccc(SC(C)(C)C)c3)c(O[Si](C)(C)C(C)(C)C)c2)cc1,FKZIANSMQDGJSK-UHFFFAOYSA-N
-rxn:5:178314:226058:225498,CC(C)c1cccc(C(C)C)c1-c1ccc(-c2cc(C3CCCCC3)ccc2F)c(O[Si](C)(C)C(C)(C)C)c1,LSYUZLBIQQAUSV-UHFFFAOYSA-N
-rxn:5:178314:226190:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCC3)cc2F)ccc1-c1cccc(SC2CCCCC2)c1,ZRPDXGQITHONPT-UHFFFAOYSA-N
-rxn:5:178314:226918:225671,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCC3)cc2)ccc1-c1cc(C2CCCCC2)ncc1F,OPNLEVBHJZUALH-UHFFFAOYSA-N
-rxn:5:178314:227019:225453,CC(C)(C#N)c1cccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(O[Si](C)(C)C(C)(C)C)c2)c1,UDDKFGPPJMRTQC-UHFFFAOYSA-N
-rxn:5:178314:227094:225814,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnccc2C2CCCC2)ccc1-c1cccc(C2(C(F)(F)F)CC2)c1,ZWWHERWEIANDCF-UHFFFAOYSA-N
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-rxn:5:178353:226848:225445,COc1ccc(-c2cc(C)c(S(=O)(=O)Oc3ccc(-c4ccccc4OC4CCCCC4)c(C)c3)cc2C)c(C(F)(F)F)n1,LVVVTTSSWIIVAC-UHFFFAOYSA-N
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-rxn:5:178467:225834:227093,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCC3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,KIYMPHWDNVBIFV-UHFFFAOYSA-N
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-rxn:5:178467:226662:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3ccc(N4CCN(C)CC4)s3)c2OC1,ZGTGZYWHCSGGSS-UHFFFAOYSA-N
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-rxn:5:178467:227507:223137,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCCNC4)c3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,QAGRTRVRPQNCSP-UHFFFAOYSA-N
-rxn:5:178467:227703:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,QUYUJHNUADFGHB-UHFFFAOYSA-N
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-rxn:5:178467:228138:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3ccc(CC#N)c(F)c3)c2OC1,RKSVMCYUNHRPEZ-UHFFFAOYSA-N
-rxn:5:178467:228457:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cnc(C(=O)OC)nc3)c2OC1,RWKQEJTVVKXVKH-UHFFFAOYSA-N
-rxn:5:178467:228974:225456,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCN(C)CC4)cc3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,UJKNYPZLONAGOW-UHFFFAOYSA-N
-rxn:5:178467:228974:225465,CCOC(=O)C1=Cc2cc(-c3cccc(C4CCN(C)CC4)c3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,UJZWQNHHYNGTGR-UHFFFAOYSA-N
-rxn:5:178467:228974:225600,CCOC(=O)C1=Cc2cc(-c3cccnc3OC3CCCCC3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,WHUMBHXRGBWBKG-UHFFFAOYSA-N
-rxn:5:178467:228974:225605,CCOC(=O)C1=Cc2cc(-c3cc(C)cnc3OC3CCCC3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,JUJKOPDUYJPJCA-UHFFFAOYSA-N
-rxn:5:178467:228974:225636,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCC(C)CC4)c3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,RAXDPEVVYYFSHS-UHFFFAOYSA-N
-rxn:5:179166:225832:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CO2)c(-c2c(C)nn(C3CCCCO3)c2C)c1,HVKZYZTVCSEEKW-UHFFFAOYSA-N
-rxn:5:180022:225986:223146,COc1c(-c2cccc(C3CNCCO3)c2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,RBUFLHWJKULPOQ-UHFFFAOYSA-N
-rxn:5:180297:225672:227505,COc1cc(-c2cc(F)nc(C3CCCCC3)c2)c(C2(C)OCCO2)cc1-c1ccc(/C=C/[N+](=O)[O-])cc1,AXZOZOKQNHTQCN-OUKQBFOZSA-N
-rxn:5:180377:225831:225871,Cc1cc(-c2c(C(C)C)cc(-c3cccc(N4C(=O)C=CC4=O)c3)cc2C(C)C)cnc1N1CCOCC1,JJOFTJFILCIFSU-UHFFFAOYSA-N
-rxn:5:180402:226589:226148,CC(C)c1cnc(C(F)F)cc1-c1ccc(C(=O)C2CCCCC2)c(-c2cccc(C#C[Si](C)(C)C)c2)c1,AFMIOIWLBFDSMN-UHFFFAOYSA-N
-rxn:5:180662:222988:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(C)nc(C4CCNCC4)c3)c2OC1,JWOBGTXQMKHIJX-UHFFFAOYSA-N
-rxn:5:180662:225799:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cncc(OC4CCOCC4)c3)c2OC1,CIHRPFYQXMQSRN-UHFFFAOYSA-N
-rxn:5:180662:225881:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3ccc(C4CCOCC4)nc3F)c2OC1,HVCIMJJIGVDRRV-JXMROGBWSA-N
-rxn:5:180662:225982:225980,COC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,OZSLPOVDUPXNQN-UHFFFAOYSA-N
-rxn:5:180662:226148:223146,COC(=O)C1=Cc2cc(-c3cccc(C4CNCCO4)c3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,CFWXGYNFPISTOP-UHFFFAOYSA-N
-rxn:5:180662:226649:226898,COC(=O)C1=Cc2cc(-c3cn(S(=O)(=O)N(C)C)nc3C)cc(-c3cccnc3N3CCOCC3)c2OC1,YZHFFKFXGYWKGB-UHFFFAOYSA-N
-rxn:5:180662:227710:225636,COC(=O)C1=Cc2cc(-c3ccnc(N4CCC(C)CC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,KNQOIECFANPQLJ-UHFFFAOYSA-N
-rxn:5:181627:225986:223054,CC(c1ccc(-c2cc(C3OCCO3)ccc2-c2ccccc2N2CCCS2(=O)=O)s1)N1CCC(O)C1,CRSACKVDUVYBAE-UHFFFAOYSA-N
-rxn:5:181904:226428:222956,Cc1ccc(-c2c(-c3cc(N4CCCCC4C)cs3)ccc(C3OCCO3)c2C)c(C2CCCNC2)c1,DNNDMEGTJRGBGS-UHFFFAOYSA-N
-rxn:5:181908:225926:226661,Cc1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C1OCCO1,VGDFODCLCMEBEP-UHFFFAOYSA-N
-rxn:5:182010:226686:222998,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(F)cc(C3CCCNC3)c2)ccc1C1CCOCC1,IEEAXGYGMVKPGO-UHFFFAOYSA-N
-rxn:5:182011:223139:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1ccc(C2CCNCC2)nc1,ORTQMCPBHWJUKV-UHFFFAOYSA-N
-rxn:5:182012:226686:225607,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2CCCOC2)c1,ITBCWYNQJBFJJN-UHFFFAOYSA-N
-rxn:5:182013:225832:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)cc1C1CCOCC1,ZQVFRDXXTMLQLN-UHFFFAOYSA-N
-rxn:5:188447:226188:225437,COC(=O)c1c(-c2cccc(CN3CCCCC3)c2)cc(-c2cc(C)c([Si](C)(C)C)cc2C)cc1[N+](=O)[O-],VDDBINQXHKANKB-UHFFFAOYSA-N
-rxn:5:188787:223002:226663,O=[N+]([O-])c1cc(-c2ccc(C3CCNCC3)cc2F)c(-c2ccc(N3CCSCC3)nc2)cc1OC1CC1,RXQGSXAYGYVAPL-UHFFFAOYSA-N
-rxn:5:188787:223008:226663,O=[N+]([O-])c1cc(-c2cc(C3CCNCC3)ccc2F)c(-c2ccc(N3CCSCC3)nc2)cc1OC1CC1,AGHUZZKKTWXDKD-UHFFFAOYSA-N
-rxn:5:188867:223002:223002,CC(C)OC(=O)c1cc(-c2ccc(C3CCNCC3)cc2F)ncc1-c1ccc(C2CCNCC2)cc1F,YHABAFBMDGVFDG-UHFFFAOYSA-N
-rxn:5:188867:223002:223006,CC(C)OC(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)ncc1-c1ccc(C2CCNCC2)cc1F,PILZDEZYFRDYNE-UHFFFAOYSA-N
-rxn:5:188867:223002:223008,CC(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ccc2F)ncc1-c1ccc(C2CCNCC2)cc1F,DBUJMYIBODOGIT-UHFFFAOYSA-N
-rxn:5:188867:223008:223002,CC(C)OC(=O)c1cc(-c2ccc(C3CCNCC3)cc2F)ncc1-c1cc(C2CCNCC2)ccc1F,KFCPGRHDFKOSSD-UHFFFAOYSA-N
-rxn:5:188868:223002:223002,CC(C)OC(=O)c1ccnc(-c2ccc(C3CCNCC3)cc2F)c1-c1ccc(C2CCNCC2)cc1F,DOJCCKOHNUMDLV-UHFFFAOYSA-N
-rxn:5:188874:223064:223002,CON(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1-c1ccc(C2CCNCC2)nc1F,IWTMMQGWACLOEK-UHFFFAOYSA-N
-rxn:5:188930:225394:227377,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCC3)cc(C3CC3)c2)cc1-c1cncnc1C1CCCC1,DXXMVVGBGLPHDO-UHFFFAOYSA-N
-rxn:5:188930:226649:225607,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)cc1-c1ccc(C(C)N2CCCCC2)s1,SOAVBXSHGHIUJD-UHFFFAOYSA-N
-rxn:5:188931:223063:223064,COC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)cc(S(N)(=O)=O)c1-c1ccc(C2CCNCC2)nc1F,GJVBIBANJFFQKL-UHFFFAOYSA-N
-rxn:5:188932:225394:227381,COC(=O)c1cc(-c2cnc(C3CCCC3)nc2)c(S(N)(=O)=O)c(-c2cc(C3CCC3)cc(C3CC3)c2)c1,GJNBTHSSLTUBTO-UHFFFAOYSA-N
-rxn:5:189078:225976:225976,CCN(C)C(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccnc(N2CCOCC2)c1F,QFZFETLQFOXESP-UHFFFAOYSA-N
-rxn:5:189079:223054:226846,CCN(C)C(=O)c1ccc(-c2ccc(C(F)(F)F)nc2OC)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,VCISZNJRDMIJTO-UHFFFAOYSA-N
-rxn:5:189208:227020:226590,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cncc(C#CC3CC3)c2)cc1-c1ccc(OC2CCOC2)nc1,RDCILHLYWBPLKM-UHFFFAOYSA-N
-rxn:5:189209:229082:226036,COc1c(F)cc(C(F)(F)F)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(N(C)C)cs2)c1,LNJVKRGIQMIYOZ-UHFFFAOYSA-N
-rxn:5:189211:228391:223064,O=C(ON1C(=O)CCC1=O)c1cccc(-c2cccc(C(F)(F)F)c2)c1-c1ccc(C2CCNCC2)nc1F,RNIGVQMQRDNMDV-UHFFFAOYSA-N
-rxn:5:189448:225616:225942,COC1CN(C(=O)c2ccc(-c3ccccc3C(=O)N3CCCC3)c(-c3cnc(C(C)C)c(C(F)(F)F)c3)c2)C1,BDCLJRGNYPAAGS-UHFFFAOYSA-N
-rxn:5:189449:223062:227024,COC1CN(C(=O)c2cc(-c3cccc(C(C)N(C)C)c3)ccc2-c2cnc(C3CCNCC3)cc2F)C1,NNQAIRCGTCJSOX-UHFFFAOYSA-N
-rxn:5:189449:226765:226603,COC(=O)c1cc(F)c(C)c(-c2ccc(-c3ccc(C(=O)OC)c(F)c3F)c(C(=O)N3CC(OC)C3)c2)c1,AXOAEARVIVTQCY-UHFFFAOYSA-N
-rxn:5:189449:227305:223004,COC1CN(C(=O)c2cc(-c3ccc(C4CCNCC4)c(F)c3)ccc2-c2cc(C)nc(OC(C)C)c2)C1,ZUTUDIOATRFEIG-UHFFFAOYSA-N
-rxn:5:189539:225591:225465,CC(C)N(C)C(=O)c1cccc(-c2cc(CN3CCCC3)ccc2F)c1-c1cccc(C2CCN(C)CC2)c1,KCOLQDTXMKSQQK-UHFFFAOYSA-N
-rxn:5:189667:226450:225927,CN(C)c1ccc(C(F)(F)F)cc1-c1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2cccc(C3(C)OCCO3)c2)c1,UDPFYNMKWNUSSJ-BHMBMEIHSA-N
-rxn:5:189668:226144:226190,C[Si](C)(C)C#Cc1ccc(-c2cc(-c3ccc(C4CCCC4)cc3F)ccc2CC(=O)N2CCCC2)cc1,SCHPXEMCFDGYJU-UHFFFAOYSA-N
-rxn:5:189673:226154:226596,COc1cc(C(C)(C)C)ccc1-c1ccc(/C=N/S(=O)C(C)(C)C)c(-c2ccc(F)c(OC(C)C)c2F)c1,ZDTYGLCHDURREY-FABQOPTDSA-N
-rxn:5:189674:226144:225395,CC(C)(C)c1cc(-c2ccc(/C=N/S(=O)C(C)(C)C)c(-c3ccc(C#C[Si](C)(C)C)cc3)c2)cc(C2CC2)c1,BNOJWODBDVBZRT-XBQJKBNESA-N
-rxn:5:189676:223061:227662,Cc1ccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2cc(C3CCNCC3)ncc2F)c(C(F)(F)F)c1,XQCQHPAKHOBBOK-UHFFFAOYSA-N
-rxn:5:189676:225453:227019,CC(C)(C#N)c1cccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2cccc(SC3CCCCC3)c2)c1,WMIDTZOCZMZRFL-UHFFFAOYSA-N
-rxn:5:189718:226600:227280,CCOc1c(F)c(C)cc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2cc(C#N)ncc2C(C)C)c1F,JHEHJFFLEGGUPS-UHFFFAOYSA-N
-rxn:5:189908:225589:227780,O=[N+]([O-])c1ccc(F)c(-c2ncc(-c3ccc(CN4CCSCC4)cc3)cc2OCC2CCCCC2)c1F,MWZQCYZZDLLXAS-UHFFFAOYSA-N
-rxn:5:189910:225621:227328,Cc1cc(-c2ccc(-c3cc(F)cc(OC(C)C)c3)c(CCN3CCOCC3)c2)ccc1OC1CCOC1,KOKJTRVDJMJLNC-UHFFFAOYSA-N
-rxn:5:189952:222417:226583,COc1c(-c2ccc(CN3CCOCC3)s2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,REDNUELPGQNCLJ-UHFFFAOYSA-N
-rxn:5:189952:226794:226366,COc1c(-c2cnc(N3CCSCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCCCC2)c1,GNIKWHOYHCPGHK-UHFFFAOYSA-N
-rxn:5:189952:226794:226644,COc1c(-c2cnc(N3CCSCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cncc(N2CCOCC2)c1,TWQMCTWGJYIXNC-UHFFFAOYSA-N
-rxn:5:189952:228457:226422,COC(=O)c1ncc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(F)ccc3N3CCCC3)c2OC)cn1,GEGWIVXVOGAJGM-UHFFFAOYSA-N
-rxn:5:190000:226148:226191,C[Si](C)(C)C#Cc1cccc(-c2cc(-c3cc(C4CCCC4)ccc3F)ccc2CC(=O)N2CCCCC2)c1,SAYUNJYPLPTGOS-UHFFFAOYSA-N
-rxn:5:190000:227045:226060,CC(C)(C)Sc1cccc(-c2cc(-c3cc(C4CC4)cc(C4CC4)c3)ccc2CC(=O)N2CCCCC2)c1,ZYTQUIFJCOFTGD-UHFFFAOYSA-N
-rxn:5:190001:226064:227019,CC(C)(C#N)c1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(C3CCCCC3)cc2)c1,BOURXXKUZDYWFF-UHFFFAOYSA-N
-rxn:5:190127:227069:227045,COc1ccc(-c2ccc(-c3cccc(SC(C)(C)C)c3)c(C(=O)N3CCC(OC)CC3)c2)c(C(C)C)c1,CKUFOKCWFASQJP-UHFFFAOYSA-N
-rxn:5:190128:227052:227592,COc1cc(F)cc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(SC(C)(C)C)cc2)c1OC,XQRWOFJDSSRAIP-UHFFFAOYSA-N
-rxn:5:190194:223065:228371,COC1CCN(Cc2cccc(-c3ccc(N4CCNCC4)cc3F)c2-c2ccc(F)c(C#N)c2F)CC1,JAGCGHGTCRVIPF-UHFFFAOYSA-N
-rxn:5:190194:227710:223147,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2ccc(C3CNCCO3)cc2)CC1,VNTLTSUCBJTSMW-UHFFFAOYSA-N
-rxn:5:190194:227710:226661,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2cc(N3CCN(C)CC3)cs2)CC1,HWMNEQNYHUSCEO-UHFFFAOYSA-N
-rxn:5:190194:227942:225499,CCc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCCC3)cc2F)c(OC)c1,WBRVDPRNMOKYQH-UHFFFAOYSA-N
-rxn:5:190195:228328:225683,CCOc1ccc(-c2ccc(CN(C)C3CCOCC3)cc2-c2ccc(C3CCCOC3)nc2C)c(F)n1,OMYXDRUXJCXBIU-UHFFFAOYSA-N
-rxn:5:190197:222417:223061,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1CN(C)C1CCOCC1,AJEDIRZRJZHCTH-UHFFFAOYSA-N
-rxn:5:190199:225803:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccnc(OC3CCOCC3)c2)c(CN(C)C2CCOCC2)c1,BAIUUMLCAUEXRZ-UHFFFAOYSA-N
-rxn:5:190199:226351:227559,Cc1ccc(-c2ccc(-c3cc(C)c(F)c(OC(C)C)c3)c(CN(C)C3CCOCC3)c2)cc1OC(F)F,UHTLIULSDNBPIK-UHFFFAOYSA-N
-rxn:5:190199:227106:225436,Cc1cc(F)c(-c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2CN(C)C2CCOCC2)cc1C1CC1,ZYNWEFQGYHRKOE-UHFFFAOYSA-N
-rxn:5:190201:222417:225978,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccc(N3CCOCC3)nc2F)CCO1,BHDJOPLDJFETOL-UHFFFAOYSA-N
-rxn:5:190201:225657:227808,Cc1cc(-c2ccc(-c3ccc4c(c3)CCCC4)c(CCN3CCOC(C)C3)c2)ccc1N1CCOCC1,BDIXEJZJLNDZSL-UHFFFAOYSA-N
-rxn:5:190231:226040:226586,COc1c(-c2ccnc(OC3CCOC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C,HBBXRTMATBKPQB-UHFFFAOYSA-N
-rxn:5:190264:225886:226061,CC1CCN(C(=O)Cc2ccc(-c3cc(C(C)C)cc(C4CC4)c3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)CC1,JHBVGAVFZABPGC-UHFFFAOYSA-N
-rxn:5:190265:225886:226059,CC1CCCN(C(=O)Cc2ccc(-c3ccc(C(C)C)cc3C(C)C)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,CGRSHCDFOMUMSK-UHFFFAOYSA-N
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-rxn:5:190336:228177:227045,COCc1ccc(F)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cccc(SC(C)(C)C)c2)c1OC,XBPOPOPUSRFPKR-UHFFFAOYSA-N
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-rxn:5:190832:225834:223056,CCOC(=O)c1cnc2cc(C)c(-c3cc(N4CCCCC4)ncc3F)c(C)c2c1-c1ccc(N2CCC(O)CC2)nc1,YRGMPQHMOOLAHX-UHFFFAOYSA-N
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-rxn:5:192236:223002:225600,COc1cc(-c2cccnc2OC2CCCCC2)c(S(N)(=O)=O)cc1-c1ccc(C2CCNCC2)cc1F,HWWVLFFBKPFMLC-UHFFFAOYSA-N
-rxn:5:192236:223002:225639,COc1cc(-c2cccnc2N2CCC(C)CC2)c(S(N)(=O)=O)cc1-c1ccc(C2CCNCC2)cc1F,GBJODYJVRQKREP-UHFFFAOYSA-N
-rxn:5:192236:223008:225600,COc1cc(-c2cccnc2OC2CCCCC2)c(S(N)(=O)=O)cc1-c1cc(C2CCNCC2)ccc1F,GOQXEJMCUUXUTK-UHFFFAOYSA-N
-rxn:5:192236:223008:225639,COc1cc(-c2cccnc2N2CCC(C)CC2)c(S(N)(=O)=O)cc1-c1cc(C2CCNCC2)ccc1F,PAODIDFFFUOVMD-UHFFFAOYSA-N
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-rxn:5:193229:228499:225407,Cn1nc(C(F)(F)F)cc1-c1cccc(C(=O)N2CCOCC2)c1-c1ccc(C2CCCCCC2)cc1,YWEACOZIOPCKRG-UHFFFAOYSA-N
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-rxn:5:197876:225679:227823,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1ccc(N3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,JICGIUDXDLRSGS-UHFFFAOYSA-N
-rxn:5:197876:225679:228551,CCCc1ncccc1-c1cc2c(cc1-c1ccc(N3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PSUFQLLMYAANMD-UHFFFAOYSA-N
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-rxn:5:197876:225823:228562,CCC(C)c1csc(-c2cc3c(cc2-c2cc(C(C)C)cc(C(F)(F)F)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QJHMBEVTHAMJMG-UHFFFAOYSA-N
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-rxn:5:197876:225988:226062,CC(C)c1cc(-c2cc3c(cc2-c2c(F)cc(C4OCCO4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,JMHQMGFYFFKGHP-UHFFFAOYSA-N
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-rxn:5:197876:226032:228596,CCc1ccc(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)n1,URVOQMVGGUPIEK-UHFFFAOYSA-N
-rxn:5:197876:226061:227830,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C4(C)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,HNFJOWFNNQNXEI-UHFFFAOYSA-N
-rxn:5:197876:226085:227124,CC1(C)CCc2cc(-c3cc4c(cc3-c3ccc(C(C)(C)C)cc3F)C(=O)N(C(C)(C)C)S4(=O)=O)ccc2O1,BOJWTMZXUGBWID-UHFFFAOYSA-N
-rxn:5:197876:226085:228342,CC1(C)CCc2cc(-c3cc4c(cc3-c3cccc(OC(F)F)c3)C(=O)N(C(C)(C)C)S4(=O)=O)ccc2O1,AITRGEPDPPWWPY-UHFFFAOYSA-N
-rxn:5:197876:226085:228417,CC1(C)CCc2cc(-c3cc4c(cc3-c3ccc(F)c(C(F)F)c3)C(=O)N(C(C)(C)C)S4(=O)=O)ccc2O1,ANPJIPSXBUGEAS-UHFFFAOYSA-N
-rxn:5:197876:226132:227811,Cc1cc(C2(C#N)CC2)ccc1-c1cc2c(cc1-c1ccc(CC(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,YWMDUVRIQZHSPH-UHFFFAOYSA-N
-rxn:5:197876:226144:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C#C[Si](C)(C)C)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SYRMJNPBHZHNDO-UHFFFAOYSA-N
-rxn:5:197876:226183:227019,CC(C)(C#N)c1cccc(-c2cc3c(cc2-c2cnccc2C2CCCCC2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IOXLFTHRJDBVPB-UHFFFAOYSA-N
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-rxn:5:197876:226191:227124,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,KKEYSOYACRDZOA-UHFFFAOYSA-N
-rxn:5:197876:226191:227547,Cc1cc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC(F)F,NFEYNPFRKWDXCM-UHFFFAOYSA-N
-rxn:5:197876:226191:227933,CCc1ccc(OC)cc1-c1cc2c(cc1-c1cc(C3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,RTIPQZNRCYGFIS-UHFFFAOYSA-N
-rxn:5:197876:226320:228268,CSc1c(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc(C)c1F,APQITNCZRYDNEZ-UHFFFAOYSA-N
-rxn:5:197876:226325:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1ccc(C(C)(C)C#N)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,KSYHZOSVKKFRLE-UHFFFAOYSA-N
-rxn:5:197876:226326:227820,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cccc(C4(C#N)CC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,GZPUYYPTBJPAHP-UHFFFAOYSA-N
-rxn:5:197876:226331:227835,Cc1ccc(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C1CC1,AHRXCMKIEUMBCA-UHFFFAOYSA-N
-rxn:5:197876:226346:226959,Cc1cc(OC(C)C)c(F)c(-c2cc3c(cc2-c2ccc4c(c2)CC(C)(C)O4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,GSKRGAHTTPGUQN-UHFFFAOYSA-N
-rxn:5:197876:226346:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1cc(C)cc(OC(C)C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,RYOBFRXQGOEBSA-UHFFFAOYSA-N
-rxn:5:197876:226437:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cc(C3CCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SFODBDORQRBGPR-UHFFFAOYSA-N
-rxn:5:197876:226581:227834,Cc1cc(-c2cc3c(cc2-c2cccc(C(=O)N(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C1CC1,KRPSWTLODUJRSJ-UHFFFAOYSA-N
-rxn:5:197876:226746:227052,CCc1cnc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(SC(C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,GFQMJKYCNUURPO-UHFFFAOYSA-N
-rxn:5:197876:226762:227289,CSc1cc(-c2cc3c(cc2-c2cccnc2OC(C)(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,NCRSDDAZHATOFU-UHFFFAOYSA-N
-rxn:5:197876:226762:227813,CCc1cccc(CC)c1-c1cc2c(cc1-c1cc(SC)cc(C(F)(F)F)c1)S(=O)(=O)N(C(C)(C)C)C2=O,VDVZYJRCWUPHNY-UHFFFAOYSA-N
-rxn:5:197876:226768:226155,CSc1ccc(-c2cc3c(cc2-c2cc(C(C)=O)cc(C4CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,YQDRFKLKJLHOPI-UHFFFAOYSA-N
-rxn:5:197876:226847:227044,CSc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C(=O)C3CC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,VHVJNYCABZMARG-UHFFFAOYSA-N
-rxn:5:197876:226849:227818,CCC(C)c1cccc(-c2cc3c(cc2-c2ccnc(OC)c2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UHJMODAVKYBDSM-UHFFFAOYSA-N
-rxn:5:197876:226851:227920,CCC(=O)c1ccc(-c2cc3c(cc2-c2cc(OC)ncc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,QGCAZCUCUFZVBD-UHFFFAOYSA-N
-rxn:5:197876:226883:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2c(F)ccc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,OTNPJICCXJCOTA-UHFFFAOYSA-N
-rxn:5:197876:226913:226826,CCc1cc(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,YRRLWBNYZHZLMT-UHFFFAOYSA-N
-rxn:5:197876:226920:225499,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)C(=O)N(C(C)(C)C)S2(=O)=O,BBRIKPLICAZRLF-UHFFFAOYSA-N
-rxn:5:197876:226921:227712,Cc1cc(C)c(C2CC2)cc1-c1cc2c(cc1-c1ccc(OC(F)F)c(F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,YELMIPZKMHMDPQ-UHFFFAOYSA-N
-rxn:5:197876:227029:225674,CC(C)(C#N)c1ccccc1-c1cc2c(cc1-c1cnc(C3CCCCC3)cc1F)C(=O)N(C(C)(C)C)S2(=O)=O,ODMSINJGBBEJTJ-UHFFFAOYSA-N
-rxn:5:197876:227029:226174,CC(C)(C#N)c1ccccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)nc1)C(=O)N(C(C)(C)C)S2(=O)=O,HZBQEJCNIDVQDC-UHFFFAOYSA-N
-rxn:5:197876:227045:227724,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cc(OC(F)F)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,FUGILMIFJWQPCY-UHFFFAOYSA-N
-rxn:5:197876:227076:227056,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2c(OC)cccc2C2CC2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,XETUIPCOXBVVNX-UHFFFAOYSA-N
-rxn:5:197876:227076:227560,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(OC)c(C(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,AATHIMUAPIETAB-UHFFFAOYSA-N
-rxn:5:197876:227077:227311,CCC(C)c1ccc(-c2cc3c(cc2-c2cnc(C(C)CC)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,PWZFJNRODHIABK-UHFFFAOYSA-N
-rxn:5:197876:227077:227722,CCC(C)c1ccc(-c2cc3c(cc2-c2cccc(SC(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,FQNYUTCVVJCEDQ-UHFFFAOYSA-N
-rxn:5:197876:227079:223229,CC(=O)Nc1ccc(C)c(-c2cc3c(cc2-c2cc(CC(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DVHHFSHSURIMMS-UHFFFAOYSA-N
-rxn:5:197876:227079:226164,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,JRVXBJPHDIQUSI-UHFFFAOYSA-N
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-rxn:5:197876:227079:227293,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cncc(OC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BXQVLZUDTZRTNC-UHFFFAOYSA-N
-rxn:5:197876:227100:227079,Cc1cc(C2CC2)cc(F)c1-c1cc2c(cc1-c1cc(CC(C)C)ccc1F)C(=O)N(C(C)(C)C)S2(=O)=O,ONRBEEJPKRCVFW-UHFFFAOYSA-N
-rxn:5:197876:227102:227025,CCc1ncc(C2CC2)cc1-c1cc2c(cc1-c1cc(C(C)(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VFPGDRQYWMJPQA-UHFFFAOYSA-N
-rxn:5:197876:227102:227103,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2sccc2C2CCCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MYWHMCLTLDMTPB-UHFFFAOYSA-N
-rxn:5:197876:227107:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C)cc(C4CC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CZZFMFOESDHEAL-UHFFFAOYSA-N
-rxn:5:197876:227107:227525,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc(C)cc(C3CC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,FCYGOJHXPDPEIL-UHFFFAOYSA-N
-rxn:5:197876:227108:227072,COc1cc(C2CC2)ccc1-c1cc2c(cc1-c1cc(C3CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SHFMJQZOMDSGOM-UHFFFAOYSA-N
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-rxn:5:197876:227124:227302,Cc1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1OC(C)C,SKPWDLUCYVOGHX-UHFFFAOYSA-N
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-rxn:5:197876:227124:227531,COC(=O)c1cc(F)cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QZEYLPFWILOAPN-UHFFFAOYSA-N
-rxn:5:197876:227311:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cnc(C(C)CC)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,REPJLZMXJLGCAW-UHFFFAOYSA-N
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-rxn:4:185599:224258,Cc1c(C(=O)N(Cc2cccc(-c3ccc(C(=O)N4CCCCC4C)cc3Cl)c2)C2CCS(=O)(=O)C2)oc2ccc(F)cc12,PHBKWZKAIPKPIJ-UHFFFAOYSA-N
-rxn:4:185647:228419,CSc1cc(F)c(-c2ccc3c(c2)CC[C@H]2N(C(=O)OC(C)(C)C)CC[C@@]32S(=O)(=O)c2ccc(F)cc2)cc1F,NQRPEDRUGJYPMI-POURPWNDSA-N
-rxn:4:185647:228811,CSc1ccc(F)c(-c2ccc3c(c2)CC[C@H]2N(C(=O)OC(C)(C)C)CC[C@@]32S(=O)(=O)c2ccc(F)cc2)c1,JOTOYLYBDBIKSD-POURPWNDSA-N
-rxn:4:185648:227029,CC(C)(C#N)c1ccccc1-c1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccc3oc4c(c3c2)CCCC4)cc1,JTAAWHFWOWYTOT-UHFFFAOYSA-N
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-rxn:4:186682:222725,CCNS(=O)(=O)c1ccc(-c2ccc(C(C)=O)n2C(=O)OC(C)(C)C)c(C(F)(F)F)c1,FOHPHMNUWPYYQY-UHFFFAOYSA-N
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-rxn:4:186817:222522,COc1ccc(-c2ccc(OC(F)(F)F)c(C(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCC(O)CC1,CSRYLMWVLQFORD-UHFFFAOYSA-N
-rxn:4:186865:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2Cl)cc1,LJFUDIJBJDODCF-UHFFFAOYSA-N
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-rxn:4:186958:222540,Cc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c(OCC(=O)N2CCCC2)c1,AQMBBRPRWPJNGZ-UHFFFAOYSA-N
-rxn:4:186974:223785,CCN1CCN(CCOc2ccc(-c3cc(Cl)ccc3OCC(=O)N3CCCCC3)cc2Cl)CC1,DMGNWLYKVCHAII-UHFFFAOYSA-N
-rxn:4:186980:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1cc(OC(F)F)cc(C(=O)N2CCCCC2)c1,HLAQFCRZYNRQKV-UHFFFAOYSA-N
-rxn:4:186999:222818,COC(=O)c1cc(C(=O)N2CCOCC2)cc(-c2cc(C(=O)OC)c(NC(C)=O)cc2F)c1,GTAXMNWBJZUJSG-UHFFFAOYSA-N
-rxn:4:187064:223681,CCOc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc2cc([N+](=O)[O-])ccc2n1C(=O)OC(C)(C)C,MCOZMYVMSSSLHQ-UHFFFAOYSA-N
-rxn:4:187081:222584,O=[N+]([O-])c1cc(F)c(OCC2CCCCC2)c(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1,QVMCVDKNNZTLFS-UHFFFAOYSA-N
-rxn:4:187110:223928,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1,QDQBGXFWEPEXCN-UHFFFAOYSA-N
-rxn:4:187131:223992,COc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc(OC)c1CN1CCC(F)(F)C1,NONAJCSRPTUWPI-UHFFFAOYSA-N
-rxn:4:187131:225261,CCN(CC)S(=O)(=O)c1cccc(-c2cc(OC)c(CN3CCC(F)(F)C3)c(OC)c2)c1,NQGMLLCOGXCFKR-UHFFFAOYSA-N
-rxn:4:187192:222813,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2cnc(NC(=O)OC(C)(C)C)c(Cl)c2)cc1,XNTNUHPKYWZYOF-YWZLYKJASA-N
-rxn:4:187214:222886,CC(C)(C)OC(=O)N1CC(c2cc(F)cc(-c3ccc(N4CCNCC4)cc3C#N)c2)C1,SNNPFLMBNGZNSQ-UHFFFAOYSA-N
-rxn:4:187217:222925,COC1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(C3CNC3)c(C(F)(F)F)c2)CC1,DFYCTGQESYJMIX-UHFFFAOYSA-N
-rxn:4:187226:225390,CC(C)Cc1cc(-c2ccc(N(C(=O)C(C)C)C3C=CS(=O)(=O)C3)cc2)cc(C2CC2)c1,JELUMIMCQJQYEP-UHFFFAOYSA-N
-rxn:4:187243:222799,Cc1cc(-c2ccc(F)cc2CCN2CCC(C(F)(F)F)CC2)ccc1S(=O)(=O)NC(C)(C)C,QBCFYZPEKHXYRU-UHFFFAOYSA-N
-rxn:4:187243:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ccc(F)cc2CCN2CCC(C(F)(F)F)CC2)c1,JLNZIQISAJTKQY-UHFFFAOYSA-N
-rxn:4:187243:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(F)cc1CCN1CCC(C(F)(F)F)CC1,BQHSFNBHCVWAIX-UHFFFAOYSA-N
-rxn:4:187245:222693,COC(=O)c1cc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)ccc1CN1CCC(F)(F)CC1,CVNSFQMNUHOONL-UHFFFAOYSA-N
-rxn:4:187252:224459,CC(C)(C)c1cc(-c2ccc(F)c(CCN3CCC(C(F)(F)F)CC3)c2)ccc1N1CCCC1,VBMLLVZJOMLQMP-UHFFFAOYSA-N
-rxn:4:187252:225931,Cc1cc(-c2ccc(F)c(CCN3CCC(C(F)(F)F)CC3)c2)cc(S(=O)(=O)N(C)C)c1,FQNSKEGMZKGMGR-UHFFFAOYSA-N
-rxn:4:187276:228595,CCc1ncc(C)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,CHIGBIIPVPQNRZ-UHFFFAOYSA-N
-rxn:4:187276:228934,COc1cc(Cl)c(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cn1,KLWGFIYGRDOOAY-UHFFFAOYSA-N
-rxn:4:187286:222540,Cc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c(C(=O)N(C(C)C)C(C)C)c1,JFRXUNGNORWTCD-UHFFFAOYSA-N
-rxn:4:187316:224722,CC(C)Oc1ccc(-c2ccnc(N(C)C(=O)OC(C)(C)C)c2)cc1C(=O)N1CCOCC1,YRXPJPJXUBSDMP-UHFFFAOYSA-N
-rxn:4:187323:223931,CC1CCN(Cc2ccc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)cc2OC(F)(F)F)CC1,ZGSWKVRREXUTIG-UHFFFAOYSA-N
-rxn:4:187376:224076,CC1CCCN(C(=O)CS(=O)(=O)c2ccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)cc2)C1,LHIJYNHESWEFAK-UHFFFAOYSA-N
-rxn:4:187379:224774,CC1CCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc(N3CCCC3)c(C(F)(F)F)c2)CC1,YTWGCFKLOXIWHV-UHFFFAOYSA-N
-rxn:4:187405:224486,Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1-c1cccc(C(=O)N(C(C)C)C(C)C)c1,NDHZPELGEUVYKQ-UHFFFAOYSA-N
-rxn:4:187410:222778,CC1CCCC(C)N1C(=O)COc1cccc(-c2cncc(CNC(=O)OC(C)(C)C)c2)c1,OUMWOQPOWCTRQJ-UHFFFAOYSA-N
-rxn:4:187421:224835,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C,SAGHKBOPHYRPDW-UHFFFAOYSA-N
-rxn:4:187422:222822,COC(=O)c1cc(-c2cc(S(=O)(=O)NC3CC3)c(C)cc2F)cc(N(C)C2CCCC2)c1C,JRBDFYCZZXCWRO-UHFFFAOYSA-N
-rxn:4:187473:223993,COc1ccc(OC)c(C=C2SC(=S)N(c3ccccc3-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)C2=O)c1,UVIAKDFRIDMBKI-UHFFFAOYSA-N
-rxn:4:187507:226025,CC(C)(C)OC(=O)N1CCOC(c2ccc(F)c(-c3cnc(OC4CCOC4)nc3Cl)c2)C1,FHGNBEDMVALBIZ-UHFFFAOYSA-N
-rxn:4:187525:223743,Cc1ccc(-c2ccc(C(=O)c3ccc(CN4CCSCC4)cc3)c(F)c2)cc1OCCCN1CCC(C)CC1,BKDJJMGMYHSRKO-UHFFFAOYSA-N
-rxn:4:187554:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cccc(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,NUWJLGWLEFXEHX-UHFFFAOYSA-N
-rxn:4:187555:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccccc1CCC(=O)N1CCC2(CC1)OCCS2,XBTVZBFQTJBYPS-UHFFFAOYSA-N
-rxn:4:187557:222886,CC(C)(C)OC(=O)N1C(=O)CCC[C@@H]1c1ccc(-c2ccc(N3CCNCC3)cc2C#N)cc1,NYUKHXHNIAMTJB-XMMPIXPASA-N
-rxn:4:187561:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,XRGOVXFONUUXQX-UHFFFAOYSA-N
-rxn:4:187561:227558,Cc1cc(OC(F)F)ccc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,JNVUEDIUOLWVAB-UHFFFAOYSA-N
-rxn:4:187615:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)c2)c1,DLYFHGAVHKYEAT-UHFFFAOYSA-N
-rxn:4:187618:225170,O=C(c1cccc(-c2ccccc2-c2cc(F)ccc2CN2CCOCC2)c1)N1CCCC(C(F)(F)F)C1,WXNVMDMJSFVDSH-UHFFFAOYSA-N
-rxn:4:187621:222776,CN(CC1CCCCC1)C1(c2ccc(-c3ccc(CN4CCC(O)CC4)cc3F)cc2)CC1,QGECIYGYUZTJPM-UHFFFAOYSA-N
-rxn:4:187629:224253,COc1cc(C)c(-c2ccc(F)c(C(=O)N3CCCCC3C)c2)cc1S(=O)(=O)N(C)C1CCCCC1,YAEPDGNAJRYPOJ-UHFFFAOYSA-N
-rxn:4:187648:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc(C2(C)CCCN(C(=O)OC(C)(C)C)C2=O)cc1,UUJLEJYZVDKGPP-UHFFFAOYSA-N
-rxn:4:187656:226762,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2cc(SC)cc(C(F)(F)F)c2)cc1C,ZVGUAJWBWHRECF-UHFFFAOYSA-N
-rxn:4:187658:222499,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)c(C)cc1C,FPRAYOMXKQSCCC-UHFFFAOYSA-N
-rxn:4:187665:223580,COC(=O)c1ccc2c(c1)cc(-c1cccc(C3CCN(C(=O)OC(C)(C)C)CC3C)c1)n2C(=O)OC(C)(C)C,JCGLBJTZEUKZIG-UHFFFAOYSA-N
-rxn:4:187687:225181,O=C(c1ccc(-c2cccc(CN3CCOCC3)c2F)cc1)c1ccccc1CN1CCC2(CC1)OCCO2,IDMXJIHVPRKVTD-UHFFFAOYSA-N
-rxn:4:187690:223169,O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(-c2cnc(C3CCNCC3)nc2)c(F)c1,QGQLOWVMNNOUGT-UHFFFAOYSA-N
-rxn:4:187691:224606,CCCOc1cc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)c(F)c2)cc(Cl)c1OC(C)C,YZELGNHUYYEJHI-UHFFFAOYSA-N
-rxn:4:187696:222856,COc1ccc(C2CCNCC2)cc1-c1cc(C)c(C)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,MKDSVMCHJYWFQG-UHFFFAOYSA-N
-rxn:4:187847:225721,CCN(CC)C(=O)c1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)cn1,XCLHLANKDOKELR-UHFFFAOYSA-N
-rxn:4:187883:222610,CCOc1ccc(-c2cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCc2ccccc21,IJUXSVKMFZYPOD-UHFFFAOYSA-N
-rxn:4:187896:222685,COc1ccc2cc(C(=O)C(C)=CN(C)C)ccc2c1-c1cc(NC(=O)OC(C)(C)C)c(F)cc1C,HVVULFIPHLNLCM-UHFFFAOYSA-N
-rxn:4:187948:224624,COc1ccc(-c2cc(Cl)ccc2C(=O)OCC(C)(C)C)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,IVKJGGAIMHOBOR-UHFFFAOYSA-N
-rxn:4:187961:225104,CCN(CC)C(=O)c1ccc(F)c(-c2ccc(-n3c(CC(=O)OC)cc4c3CC(C)(C)CC4=O)cc2)c1,LFKVTXZCEIQERV-UHFFFAOYSA-N
-rxn:4:187970:224289,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2F)c2ccccc21,PWMZXDGUURJNJM-UHFFFAOYSA-N
-rxn:4:187972:223085,O=C1OC2(CCN(C(=O)CCc3ccccc3-c3cnc(Cl)c(N4CCC(O)C4)c3)CC2)c2ccccc21,WSQOUWJYQAAKNH-UHFFFAOYSA-N
-rxn:4:187991:224180,CC1CCC2C(=O)N(c3ccc(OC(=O)c4ccccc4-c4ccccc4OCCN4CCN(C)CC4)cc3)C(=O)C2C1,LVFLLOANGDQDNN-UHFFFAOYSA-N
-rxn:4:188006:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C#N)ccc1OCC12CC3CC(CC(C3)C1)C2,BOTUSHMLLNMDCE-UHFFFAOYSA-N
-rxn:4:188013:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1ccc(C(=O)Oc2ccc(N3C(=O)C4C5CCC(C5)C4C3=O)cc2)cc1,IDJVPZHLQVTKMW-UHFFFAOYSA-N
-rxn:4:188018:225228,COc1cc(C2c3c(oc4ccc(-c5ccc(N6CCN(C)CC6)cc5F)cc4c3=O)C(=O)N2C)cc(OC)c1OC,WJMGKTKUUMYNPY-UHFFFAOYSA-N
-rxn:4:188101:223482,N#Cc1ccc(OC(F)F)c(F)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,USHCGVXSSWJLLU-UHFFFAOYSA-N
-rxn:4:188193:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cnc(OC(F)F)c(C(F)(F)F)c2)C1,HPRBHJRTGUNJIL-UHFFFAOYSA-N
-rxn:4:188578:223573,COC(=O)c1cnc(OC)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,KZMWUHGQZMOWNT-UHFFFAOYSA-N
-rxn:4:189231:223977,Cc1nc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)sc1-c1cc(C(F)(F)F)ccc1C(=O)OC(C)(C)C,WHZPQUTYWOMGIF-UHFFFAOYSA-N
-rxn:4:189378:224720,CN(C)S(=O)(=O)c1cc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)cc(C(F)(F)F)c1,FRBAKYCSOOJQJT-UHFFFAOYSA-N
-rxn:4:189594:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C=C4N=C(SC)SC4=O)ccc3OC)cc2)CC1,XHTLPMRJSNTLSV-AQYVVDRMSA-N
-rxn:4:189663:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(C(=O)N2CCC(CF)CC2)o1,AHWNHVBHMZPZNX-UHFFFAOYSA-N
-rxn:4:189735:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(CC(=O)N2CCC(F)(F)C2)cc1F,LSWWOONNVHYTHL-UHFFFAOYSA-N
-rxn:4:189796:222584,O=S(=O)(Cc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1)N1CCCC1,KYSULLTUGKVZIP-UHFFFAOYSA-N
-rxn:4:189843:222524,O=S(=O)(c1cc(F)c(F)cc1-c1ccc(F)cc1CCN1CCC(F)(F)C1)N1CCC(O)CC1,NLFJEHACFOVVDV-UHFFFAOYSA-N
-rxn:4:189866:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)ccn1,SMYOUYXJWHLANC-UHFFFAOYSA-N
-rxn:4:189926:224155,CN1CCN(c2cc(-c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc(C3CC3)c2)CC1,LNBNVXQFLMJHML-UHFFFAOYSA-N
-rxn:4:189943:224155,CN1CCN(c2cc(-c3ccccc3CS(=O)(=O)N3CCOCC3)cc(C3CC3)c2)CC1,PXWCEMOQPRZIFV-UHFFFAOYSA-N
-rxn:4:189944:224155,CN1CCN(c2cc(-c3cccc(CS(=O)(=O)N4CCOCC4)c3)cc(C3CC3)c2)CC1,WNGXSEUQFKFFSS-UHFFFAOYSA-N
-rxn:4:190033:223892,C#Cc1ccc(-c2ccc(OCCCN3CCN(C)CC3)cc2)cc1N1CCCC(C(F)(F)F)C1,GZSBQQXOXHEZGI-UHFFFAOYSA-N
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-rxn:4:190208:223579,CC1CN(CCc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)ccc2F)CCO1,GSCVVTSWZKBACL-UHFFFAOYSA-N
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-rxn:4:190493:222892,COc1cc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1CCC(c2ccccc2)S(=O)(=O)CC1,HUZXUFKYRUVEQP-UHFFFAOYSA-N
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-rxn:4:191062:225640,CC1CCCCN1c1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)ccn1,UKTLALVEBNIOAO-UHFFFAOYSA-N
-rxn:4:191062:226923,Cc1cc(C2CC2)c(C)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,LZUDOUJWWNBKCG-UHFFFAOYSA-N
-rxn:4:191089:225527,CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cc1,RJPOBGVDCYCNHJ-UHFFFAOYSA-N
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-rxn:4:191097:223163,CCNC(=O)c1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1F,WBBVNYUMLCZLKI-UHFFFAOYSA-N
-rxn:4:191135:223582,COC(=O)c1ccc2cc(-c3cccc(C4(C)CC(C)(C)N(C(=O)c5ccccc5)c5ccccc54)c3)n(C(=O)OC(C)(C)C)c2c1,FONPDHLSKXNJLX-UHFFFAOYSA-N
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-rxn:4:191181:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC2CCCO2)c1,XVVGUJMZXYUDKU-UHFFFAOYSA-N
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-rxn:4:191621:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(F)(F)F)cc([N+](=O)[O-])c3Cl)cc2F)CC1,UTQABHPTQVWRII-UHFFFAOYSA-N
-rxn:4:191828:223491,COc1nc(C(F)(F)F)ccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,MUMWQNHRBKIQPU-UHFFFAOYSA-N
-rxn:4:192204:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C4(C#N)COC4)c3)s2)CC1,XKMSJHLMGUHRAW-UHFFFAOYSA-N
-rxn:4:192617:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc(C(=O)N4CCC4)c(F)cc3F)c2)CC1,UCFITLVUEXDCTH-UHFFFAOYSA-N
-rxn:4:193386:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)c(F)c2)cc1S(=O)(=O)NC1CCCCC1,MTFCRTIEOJBNCP-UHFFFAOYSA-N
-rxn:4:193386:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)c(F)c2)cc1S(=O)(=O)NC1CCCC1,WYGIHFQYQTXEGX-UHFFFAOYSA-N
-rxn:4:193386:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)c(F)c1,WSCUWBNNIRXDPE-UHFFFAOYSA-N
-rxn:4:193386:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)c(F)c1,GWXOJVHTZZLXFN-UHFFFAOYSA-N
-rxn:4:193403:224824,O=S(=O)(c1cc(-c2cc(C3OCCO3)cc(C(F)(F)F)c2)c(F)cc1F)N1CCOCC1,XKRMKKNLXYFYLO-UHFFFAOYSA-N
-rxn:4:193496:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cccc(C(=O)N2CCS(=O)(=O)CC2)c1,ZGEMDCSWQGBFNS-UHFFFAOYSA-N
-rxn:4:193506:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(Cl)c1,GQCQVEDCIFICSL-UHFFFAOYSA-N
-rxn:4:193517:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cccc(C(=O)N4CCC(F)(F)CC4)c3F)c2)CC1,GSKPQIAJZVJABQ-UHFFFAOYSA-N
-rxn:4:193558:222514,COc1ccc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,YTOOLTMLHVMLLD-UHFFFAOYSA-N
-rxn:4:193563:222604,COc1ccc(-c2cc(C)cc(S(=O)(=O)N3CCCC3)c2)cc1S(=O)(=O)NC1CCCC1,XFFPVKMVCQYGDA-UHFFFAOYSA-N
-rxn:4:193628:222711,COc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4(F)F)o2)cc1S(=O)(=O)NC(C)(C)C,XXBWBQKACXYUTA-UHFFFAOYSA-N
-rxn:4:193628:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCC5(CC4)CC5(F)F)o3)cc2F)CC1,QZNXXXCSPJCMOX-UHFFFAOYSA-N
-rxn:4:193647:223952,CN1CCN(CCOc2ccc(-c3ccc(N4CCC(F)(F)CC4)c(C(F)(F)F)c3)cc2Cl)CC1,MOGSFLQWVADRPP-UHFFFAOYSA-N
-rxn:4:193690:222723,Cc1cc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc(S(=O)(=O)N2CCOCC2)c1,DTBOQEXFMGIPRH-UHFFFAOYSA-N
-rxn:4:193697:224396,Cc1cc(-c2ccc(C3C=CN(S(C)(=O)=O)CC3)cc2)ccc1S(=O)(=O)N1CCOCC1,JGUZCSOXOKVHFG-UHFFFAOYSA-N
-rxn:4:193722:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCCCCC4)cc3)c(F)c2)CC1,XAIXNKUDMMPLAZ-UHFFFAOYSA-N
-rxn:4:193775:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c2)c(C(F)(F)F)c1,BSZGAGROMCZQFE-UHFFFAOYSA-N
-rxn:4:193779:222725,CCNS(=O)(=O)c1ccc(-c2ccc(C)c(C(=O)N3CCS(=O)(=O)CC3)c2)c(C(F)(F)F)c1,IUKRONTUMFXFBO-UHFFFAOYSA-N
-rxn:4:193850:222655,CCc1cc(-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)cc(N2CCC(F)(F)CC2)c1,JQZWJAWVURRLPI-UHFFFAOYSA-N
-rxn:4:193855:223534,Cc1cc(S(=O)(=O)N2CCC[C@H]2C)ccc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,NTGVZJCLFQCQEM-LJQANCHMSA-N
-rxn:4:193880:223900,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2F)cc1F,OUARJOPUCNQSEO-UHFFFAOYSA-N
-rxn:4:193915:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(C5CCN(C6COC6)CC5)cc4)c3C(=O)C1C2(C)C,YTKVTZTWZJTKCF-UHFFFAOYSA-N
-rxn:4:193915:223834,Cc1cc(-c2ccc(C3CCN(C4COC4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,GVNJGHJKFCCLES-UHFFFAOYSA-N
-rxn:4:193915:223992,Cc1ccc(-c2ccc(C3CCN(C4COC4)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,KEHWIFFDWJIVFQ-UHFFFAOYSA-N
-rxn:4:193915:223993,Cc1cc(-c2ccc(C3CCN(C4COC4)CC3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,LDLUBORMPOAIDH-UHFFFAOYSA-N
-rxn:4:193984:224399,Cc1cccc(C(=O)N2CC(C)CC(C)C2)c1-c1ccc(N2CCOCC2)cc1C(F)(F)F,ZCJHVRIDHBDUPB-UHFFFAOYSA-N
-rxn:4:193995:223054,Cc1cc(C)c(S(=O)(=O)N2CCCCC2C)cc1-c1ccc(C(C)N2CCC(O)C2)s1,PYCLSYBHOCOWNK-UHFFFAOYSA-N
-rxn:4:194002:223054,Cc1cc(-c2ccc(C(C)N3CCC(O)C3)s2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,XSSLNWNZIZKEHB-UHFFFAOYSA-N
-rxn:4:194004:222855,COc1cc(-c2cc(C)c(S(=O)(=O)N3CC(C)CC(C)C3)cc2C)cc(C2CCCNC2)c1,CMZQBRDFBPEKNT-UHFFFAOYSA-N
-rxn:4:194456:223992,Cc1ccc(-c2ccc(S(=O)(=O)N3CC4CC3CS4)cc2)cc1S(=O)(=O)N1CCN(C)CC1,NYNKVBJQJDQTBZ-UHFFFAOYSA-N
-rxn:4:194555:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc4c(c3)CN(CC3CC3)C(=O)CO4)c2F)C1,BWHUCFWLAQQXDL-UHFFFAOYSA-N
-rxn:4:194572:225177,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1ccc(CN2CCSCC2)c(F)c1,KMPMDDSVXCTLBK-UHFFFAOYSA-N
-rxn:4:194604:223670,Cc1ccc(CN2C(=O)C(=O)c3cc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)ccc32)cc1,BHXGHQGLLKKTEV-UHFFFAOYSA-N
-rxn:4:194677:223588,Cc1cc(-c2ccc3oc(=O)c(S(=O)(=O)N4CCCCC4)cc3c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,HYYNUSDILBILIZ-UHFFFAOYSA-N
-rxn:4:194711:224078,CC(C)(C)[Si](C)(C)n1ccc2c(-c3ccc4c(c3)CCC4N3CCCC(C(F)(F)F)C3)cccc21,JSPNLBZAMKWDES-UHFFFAOYSA-N
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-rxn:4:204167:226182,CC1CCCN(Cc2ccc(-c3cccnc3C3CCCCC3)cc2N2CCOCC2)C1,CTRSXLFWMUEDHV-UHFFFAOYSA-N
-rxn:4:204169:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(CN2CCOC(C)C2)c(N2CCCCC2)c1,YMYMEBOSRWVWIH-UHFFFAOYSA-N
-rxn:4:204360:223671,CCOC(=O)c1nn2c(c1-c1ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c1)OCC(F)(F)C2,UECCSEUMCCCPDY-UHFFFAOYSA-N
-rxn:4:204528:226016,COC(=O)C1SCC2C(=O)N(c3ccccc3-c3ccc(OCC(F)(F)F)cc3Cl)C(=S)N21,IBVSWMSYCIJDFH-UHFFFAOYSA-N
-rxn:4:204568:222393,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2cc(Cl)c3cccnc3c2OC(=O)N2CCOCC2)c1,CITKOFZEDDACNN-MXVIHJGJSA-N
-rxn:4:204647:224890,CC(C)(C)OC(=O)N1CCOc2c(cncc2-c2cc(C3CC3)cc(N3CCCC3)c2)C1,DBGALFZBJRNEEG-UHFFFAOYSA-N
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-rxn:4:204681:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1F,LFZFFADTORTUBN-UHFFFAOYSA-N
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-rxn:4:204720:225313,CCN1CCN(Cc2cc3c(c(-c4ccc(N5CCN(C)CC5)nc4F)c2)OCC3)CC1,DMEULZOFTAVFGB-UHFFFAOYSA-N
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-rxn:4:204756:223077,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1)N1CC(N2CC3CCCC3C2)C1,GJSJLKMTLFZVIK-UHFFFAOYSA-N
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-rxn:4:204807:223568,Cc1ccc(N2C(=NC(=O)c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc3)SC3CS(=O)(=O)CC32)cc1,RBRWYELFWIOOFT-UHFFFAOYSA-N
-rxn:4:204813:225291,CC(C)Oc1cc(C(F)(F)F)ccc1-c1ccc(N2C(=O)C3CSC(c4ccc(C(C)C)cc4)N3C2=S)cc1,LBOOOJYLSHBMCW-UHFFFAOYSA-N
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-rxn:4:204928:223576,COc1ccc(C2c3c(oc4ccc(-c5cccc(OC6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,LPBRSEXFNMZRBZ-UHFFFAOYSA-N
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-rxn:4:206250:223696,N#Cc1ccc(N2CCC(F)(F)C2)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1,FHNXJCMVDYRUIC-UHFFFAOYSA-N
-rxn:4:206364:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(-n4cccn4)c3)c(F)c2)CC1,UELMPTIXPJHSEK-UHFFFAOYSA-N
-rxn:4:206431:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(Cl)c(C(=O)N3CCOCC3)c2)CC1,BAYCSLUUWFWAOH-UHFFFAOYSA-N
-rxn:4:206576:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)N4CCCCC4)n3)s2)CC1,TZQFPZUURWSVGE-UHFFFAOYSA-N
-rxn:4:206635:223959,CCN1CCN(C(=O)c2cc(-c3cccc(N4CCC(F)(F)CC4)c3C#N)ccc2Cl)CC1,RVIYIQHZXOAZON-UHFFFAOYSA-N
-rxn:4:206694:222522,COc1ccc(-c2cccc(C3CCCN3S(C)(=O)=O)n2)cc1S(=O)(=O)N1CCC(O)CC1,QUTHYEGYCUXWBN-UHFFFAOYSA-N
-rxn:4:206759:224292,Cc1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(Cl)c2)ccc1S(=O)(=O)OCC(C)(C)C,REDAXIIVHVBZLY-UHFFFAOYSA-N
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-rxn:4:206772:222927,Cc1nc(N2CCCCC2O)ncc1-c1cnc(N2CCC(F)(F)CC2)c(C(F)(F)F)c1,VXLMTEAKELAFHO-UHFFFAOYSA-N
-rxn:4:206834:223576,CC(=O)N1CCCC(c2nc(C)c(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)s2)C1,WEKSYOIYUCTDMZ-UHFFFAOYSA-N
-rxn:4:206901:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(CN2CCCN(C)CC2)o1,TZPBXIHFYXJBIW-UHFFFAOYSA-N
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-rxn:4:206976:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1F,FSVMZCZBMWYJOL-UHFFFAOYSA-N
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-rxn:4:206977:224718,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCOCC4)nc3)cc2F)CC1,XQSXECBKQQZOKG-UHFFFAOYSA-N
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-rxn:4:206980:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(F)c(S(=O)(=O)N2CCN(C)CC2)c1,RRTKOBDSHQZDMR-UHFFFAOYSA-N
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-rxn:4:206990:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCN(C)CC1,DZVDBORJBWKLLH-UHFFFAOYSA-N
-rxn:4:207039:223527,CC(c1cccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1)N1CCN(C)CC1,UUPVCDSPUGTINY-UHFFFAOYSA-N
-rxn:4:207057:224462,Cc1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,QZPCILCFQKOLLP-UHFFFAOYSA-N
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-rxn:4:207085:223054,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(C)N2CCC(O)C2)s1,HYAKPYIWBFDDCA-UHFFFAOYSA-N
-rxn:4:207086:225805,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,JDGZTEUCIODQNS-UHFFFAOYSA-N
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-rxn:4:207447:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cncc(C(=O)N2CC3CC2CS3)c1,VYOIVZCVFUCJOP-UHFFFAOYSA-N
-rxn:4:207671:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(CN5CCOCC5)c[nH]c4c3)cn2)CC1,CVUITRIKBJTESA-UHFFFAOYSA-N
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-rxn:4:207847:225890,Cc1ccc(N2C(=O)N(c3cccc(-c4cnn(COCC[Si](C)(C)C)c4)c3)C3CS(=O)(=O)CC32)cc1,DWQFPQAJBNOPNN-UHFFFAOYSA-N
-rxn:4:207854:222777,OC1CCN(Cc2ccc(-c3ccc4c(c3)CCN4C3CCN(C4CCC4)CC3)cc2Cl)CC1,HWINGVHLUCJIOG-UHFFFAOYSA-N
-rxn:4:207857:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)C(C)O2)o1,HKOVCSCMVLCVHR-UHFFFAOYSA-N
-rxn:4:208246:223539,COc1ccc(-c2cc([N+](=O)[O-])c(F)c[n+]2[O-])cc1S(=O)(=O)N1CCC2(CC1)OCCO2,DTMYWFJMQWCKJC-UHFFFAOYSA-N
-rxn:4:208716:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(S(C)(=O)=O)n(C)n1,PRKCHHAVMDLYFO-UHFFFAOYSA-N
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-rxn:4:210535:223843,CCN(CC)S(=O)(=O)c1ccc(-c2nc(C(F)(F)F)n3c2CCCC3)c(C(F)(F)F)c1,SILINTQHPSGSLT-UHFFFAOYSA-N
-rxn:4:210955:222439,O=S(=O)(NC1CCCCC1)c1ccc(-c2nn(C3CCCCO3)c3cc(F)c(F)cc23)c(C(F)(F)F)c1,XRMXKVUVIXXQMX-UHFFFAOYSA-N
-rxn:4:212491:223997,Cc1cc(-c2ccc3c(c2)C2CN(C)CCN2CC3)cc(C)c1S(=O)(=O)N1CCOCC1,HPRPSRIWLZAOQI-UHFFFAOYSA-N
-rxn:4:212500:223520,CC(c1ccc(-c2ccc(OCCCCN=[N+]=[N-])cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,QRBGFPXQUYWGEA-UHFFFAOYSA-N
-rxn:4:212511:224676,CN1CCN(C(=O)c2ccccc2-c2cnn(CC3CN(C(=O)CCC(F)(F)F)C3)c2)CC1,KJOMMKCDEQNVQB-UHFFFAOYSA-N
-rxn:4:212547:223670,CCOCCN1CCC(Oc2ncc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,LENUPUFLSPODTM-UHFFFAOYSA-N
-rxn:4:212549:223152,CCOC(=O)N1CCN(C(C#N)c2cccc(-c3ccc(NC(=O)N(C)C)cc3)c2)CC1,MENFEOZAMJYUHU-UHFFFAOYSA-N
-rxn:4:212576:222585,CC(Oc1ccccc1)C(=O)N1CC(Cn2cc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)C1,GKVHBBHSWJLMCY-UHFFFAOYSA-N
-rxn:4:212583:225346,COc1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)cc2)cc1S(=O)(=O)N(C)C,CXOAKXAZQPYIMV-UHFFFAOYSA-N
-rxn:4:212595:223785,CCN1CCN(CCOc2ccc(-c3ccc(-c4ccc(C(=S)N5CCN(CCC#N)CC5)o4)cc3)cc2Cl)CC1,HUNZQIHQZDLQSM-UHFFFAOYSA-N
-rxn:4:212607:225172,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,LECHGZMRKQSRSP-UHFFFAOYSA-N
-rxn:4:212607:226249,CCCCOc1cc(Cl)cc(-c2cnc(OC3CCN(C(=O)C(CC)CC)CC3)nc2)c1,JNTWGMGOVZKJKW-UHFFFAOYSA-N
-rxn:4:212607:226609,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(C)c(Cl)c(C(=O)OC)c3)cn2)CC1,NYSCFRJNUSARGQ-UHFFFAOYSA-N
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-rxn:4:212623:225125,O=C(Cc1ccc(F)cc1-c1cc(F)ccc1OCC1CCOC1)N1CCCC(COc2ncccn2)C1,PCVOKABPILMVCP-UHFFFAOYSA-N
-rxn:4:212628:226500,CC(C)COc1ncc(Cl)cc1-c1cnc(OC2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)nc1,UGRLCPPHCBLMLO-UHFFFAOYSA-N
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-rxn:4:212692:224867,CC1CN(C(=O)Cc2cncc(-c3ccc(OCC4CCCCC4)cc3)c2)CCN1C(=O)OC(C)(C)C,DNMIGQCKKLUYSQ-UHFFFAOYSA-N
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-rxn:4:212732:225007,O=C(c1ccc(S(=O)(=O)c2ccc(-c3cccc(CN4CCCCC4)c3F)cc2)nc1)N1CCN(Cc2ccccc2)CC1,FYNWRMCDGIFKOG-UHFFFAOYSA-N
-rxn:4:212737:227565,COc1cc(Cl)cc(-c2cc(CN3CCOCC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1OC,LVFRWOCCYDIDDS-UHFFFAOYSA-N
-rxn:4:212739:226557,CCOc1c(OC)ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCCC3)c2)c1F,QGKCJZGUPQMXKN-UHFFFAOYSA-N
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-rxn:4:212745:226299,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(OCC4CC4)cc3Cl)c2)CCN1C(=O)OC(C)(C)C,MUZZPPGSRBZSDN-UHFFFAOYSA-N
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-rxn:4:212814:226906,Cc1cccc2cccc(-c3c4c(nn3C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C4)c12,BKCZPHDUAHVUOM-UHFFFAOYSA-N
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-rxn:4:212923:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)cc1,RVTLPDBBNUXLMQ-UHFFFAOYSA-N
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-rxn:4:212986:223031,CCNC(=O)c1ccc(-c2cn(C)nc2CN2CCC(C(=O)OCC)CC2)c(OC)c1,DOFYVYBZHZVWJC-UHFFFAOYSA-N
-rxn:4:213007:224669,COc1ccc(C(=O)N2CCC(Oc3ncc(-c4ccc(CN5CCN(C)CC5)cc4F)cn3)C2)cc1F,BYYISWWXBKBRMD-UHFFFAOYSA-N
-rxn:4:213010:225898,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,WRPZLRSOWPLTOY-FQEVSTJZSA-N
-rxn:4:213038:222707,CC(C)(C)OC(=O)NCc1nccc(-c2c[nH]c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,XKQJEWVWXJNRPA-UHFFFAOYSA-N
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-rxn:4:213061:222857,COc1cc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncccc4C#N)CC3)cc2)cc(C2CCNCC2)c1,RAYURRLVXNZZLJ-UHFFFAOYSA-N
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-rxn:4:213127:222834,CCC(CC)NC(=O)c1ccc(-c2ccnc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,QYJWGRDJITZTHM-UHFFFAOYSA-N
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-rxn:4:213134:226981,CCCCCCc1ccsc1-c1cnc(OC2CCN(C(=O)C(C)(C)CC)CC2)nc1,ZWJKTNHXMLQWGB-UHFFFAOYSA-N
-rxn:4:213135:223048,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NC4CC4)c3F)cn2)CC1,OUSSVELOIXVTQM-UHFFFAOYSA-N
-rxn:4:213184:223814,Cc1cnc(OC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)CC2)nc1,VHFRQTDPUMTFFC-UHFFFAOYSA-N
-rxn:4:213192:228209,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C#N)c(C)cc3Cl)n2)CC1,OFQAQHMRFDSHMN-UHFFFAOYSA-N
-rxn:4:213196:222884,CC(C)(C)NC(=O)c1cc(F)cc(-c2cnc(OCC3CCCN(C(=O)C4CCOCC4)C3)nc2)c1,GQLBFJAKPSBOJX-UHFFFAOYSA-N
-rxn:4:213199:225338,COc1ccc(-c2ccc(F)c(COCC(F)(F)F)c2)c(C(=O)N2CCC(Oc3nc(C)cc(C)n3)C2)c1,FEVUIBKUQDMYKT-UHFFFAOYSA-N
-rxn:4:213224:223926,CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2cccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)c2)c[nH]1,IBPQLAMAGRMUGT-NDEPHWFRSA-N
-rxn:4:213230:223687,CC1CN(C(=O)OC(C)(C)C)CCN1c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(F)c1[N+](=O)[O-],WYGGTOAISHSCHE-UHFFFAOYSA-N
-rxn:4:213247:224678,O=C(c1cc(-c2cnn(CC3CN(C(=O)C4(c5ccccc5)CCOCC4)C3)c2)ccc1F)N1CCCCC1,RZVVPDYBHZHIKO-UHFFFAOYSA-N
-rxn:4:213248:223728,CCCCCC1CCC(c2ccc(-c3ccc(OC)cc3C(=O)N3CCC(c4nnc(C(C)C)o4)CC3)c(F)c2)CC1,CPEHJKNBMVDPIL-UHFFFAOYSA-N
-rxn:4:213265:223695,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)o1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1,ZNSNNLZDIHJFKK-UHFFFAOYSA-N
-rxn:4:213266:224415,CC(C)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)n2)CC1,PLQMPFHJAWUJTC-UHFFFAOYSA-N
-rxn:4:213266:225363,CC(C)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C(=O)N4CC(F)(F)C4)nc3)n2)CC1,LMHHIENNVSLHBR-UHFFFAOYSA-N
-rxn:4:213281:228057,Cc1nc2cc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)ccc2o1,PWIRWDZYIXOYMK-UHFFFAOYSA-N
-rxn:4:213292:223987,O=C1CC(N2CCN(CC=Cc3ccccc3)CC2)C(=O)N1c1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cc1,KMOXVBLPTSJSSA-UHFFFAOYSA-N
-rxn:4:213301:223813,C#CCn1c(=NC(=O)c2ccc([N+](=O)[O-])o2)sc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)ccc21,XGOFKTZITCKKRR-UHFFFAOYSA-N
-rxn:4:213354:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc(CN4CC5CC(C4)N5C(=O)OC(C)(C)C)nc3)cc2C1,DYYHXXDTBSPORW-UHFFFAOYSA-N
-rxn:4:213388:222769,CC(C)(C)OC(=O)N1CCC(Cn2ccc3c(-c4ccc(C(=O)NC5CCCC5)c(F)c4)ccnc32)CC1,CLHKJHSNQRFCPH-UHFFFAOYSA-N
-rxn:4:213412:227347,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(OC(C)C)cc4Cl)cc3nn2C)CC1,IWWJOCUAAKKPKO-UHFFFAOYSA-N
-rxn:4:213423:223695,CC(C)CCn1c(C2CC(=O)N(c3ccc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cc3)C2)nc2ccccc21,QDDWAKYWISIPFD-UHFFFAOYSA-N
-rxn:4:213480:225051,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(N5CCCC(C)C5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZTLOVVRMDZVLSI-HKTCLATASA-N
-rxn:4:213480:225906,CON(C)C(=O)c1cc(F)cc(-c2cncc(C(=O)OC[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@@]4(OC)C3)c2)c1,OZMMYWVDMPYJSJ-FGWXRDQWSA-N
-rxn:4:213480:225980,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(N5CCOCC5)ncc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,YEWOYBFOQDQNLL-UCKIBBKRSA-N
-rxn:4:213480:226330,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(C)N5CCCC5)s4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LMPXNEUJCAEYTA-QZPPHHTGSA-N
-rxn:4:213582:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2cnn(CC3CCN(CC(F)(F)F)C3)c2)c1,UQUMUEGDVFMCOP-UHFFFAOYSA-N
-rxn:4:213706:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(C(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)o1,FTOFARQGLIAWQG-UHFFFAOYSA-N
-rxn:4:213737:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(Oc5ccncn5)C4)cc3)cc2)CC1,JUZOJDMIPSGYMC-UHFFFAOYSA-N
-rxn:4:213764:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)cn3)cnc21,WKJURYKLNMSMGI-UHFFFAOYSA-N
-rxn:4:213782:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(Cc5ccncc5)CC4)o3)cc2)CC1,AUXIFEFUDRKALF-UHFFFAOYSA-N
-rxn:4:213788:222603,COc1cc(-c2cccc(C(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)c2)c(Cl)cc1NC(=O)OC(C)(C)C,CKXGBBVUETVAOT-UHFFFAOYSA-N
-rxn:4:213800:223065,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(N3CCNCC3)cc2F)ncn1,AWUHYGQJOAZYEW-UHFFFAOYSA-N
-rxn:4:213803:226583,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(CN3CCOCC3)s2)cn1,SLDQGEOXJBMSFW-UHFFFAOYSA-N
-rxn:4:213828:223033,CCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)c(Cl)c1,PHXKGPLZSZLFKU-UHFFFAOYSA-N
-rxn:4:213870:224306,O=S(=O)(c1ccccc1F)N1CCC(Oc2ncc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)cn2)CC1,ABCLKVFQEAGRMR-UHFFFAOYSA-N
-rxn:4:213885:225277,COC(=O)c1c(OC)cc(-c2nccc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1OC,TZRGVTJNHQCPSD-UHFFFAOYSA-N
-rxn:4:213886:224291,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCN4CCOCC4)c(F)c3)n2)CC1,KZCIJKXOVJFZEE-UHFFFAOYSA-N
-rxn:4:213887:225004,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(CN4CCC(=O)CC4)cc3)nc2)CC1,QMPLREVWIDMGAP-UHFFFAOYSA-N
-rxn:4:213896:226022,COc1cccc(OC(F)(F)F)c1-c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1,DKKXYKRUSXKVAA-UHFFFAOYSA-N
-rxn:4:213899:222388,COC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1,TUCZIHYZAWPWKJ-UHFFFAOYSA-N
-rxn:4:213929:222521,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccc(-c4cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c4)o3)C2)n1,RBBGKMNRZVTJIZ-UHFFFAOYSA-N
-rxn:4:213929:223834,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccc(-c4cc(C)c(S(=O)(=O)N5CCN(C)CC5)c(C)c4)o3)C2)n1,GVJLZYKILGWDRL-UHFFFAOYSA-N
-rxn:4:213954:222574,O=C(NCc1ccccc1)c1ccc(Cl)c(-c2cnccc2OC2CCN(C3CCN(C4CC4)C3=O)C2)c1,ISBCAIBHIHJXHP-UHFFFAOYSA-N
-rxn:4:213954:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnccc3OC3CCN(C4CCN(C5CC5)C4=O)C3)cc2)CC1,IBEFZIIRBJUFOJ-UHFFFAOYSA-N
-rxn:4:213959:222612,Cc1ccc(CN2CCC(Oc3ncc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cn3)CC2)cc1,KUVPKMLKJRHNMP-UHFFFAOYSA-N
-rxn:4:213976:225560,CC1CN(c2cccc(-c3cccc(COC4CCOC4)c3)n2)CCN1C(=O)OC(C)(C)C,YPKMCLWVCGLZHE-UHFFFAOYSA-N
-rxn:4:213982:226559,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc(C(=O)OC(C)(C)C)cs2)ncn1,ZQZVKPQPVKQCCG-UHFFFAOYSA-N
-rxn:4:214024:226792,O=C(C1CCC(F)(F)CC1)N1CCC(Oc2ncc(-c3cnc(N4CCOCC4)nc3)cn2)CC1,YOBURZMRESHTFO-UHFFFAOYSA-N
-rxn:4:214025:222540,CN(c1ccccn1)C1CCN(S(=O)(=O)c2ccccc2-c2cccc(C(=O)NCCN3CCCCC3)c2)CC1,YFMPSIWAZVCDGU-UHFFFAOYSA-N
-rxn:4:214029:222546,O=C(C1CCCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2C(F)(F)F)C1)N1CCSCC1,XDFISJSJKDHFRJ-UHFFFAOYSA-N
-rxn:4:214036:225124,CN(C)c1ccc(C2CC(c3ccc(-c4ccnc(OCC5CCOCC5)c4)cc3)=NN2S(C)(=O)=O)cc1,UGRDUQQNNCBOGM-UHFFFAOYSA-N
-rxn:4:214051:224952,CC(C)c1sc(-c2cccc(CCN3CCOCC3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,MJLDVGRLTMHNOK-UHFFFAOYSA-N
-rxn:4:214051:224985,CC(C)c1sc(-c2ccc(C3CC3)c(-n3cccn3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,DCASQKHXDUZKOD-UHFFFAOYSA-N
-rxn:4:214054:222848,CCc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc(C2CCCNC2)n1,GLZLNFMBSNNOPX-UHFFFAOYSA-N
-rxn:4:214064:223176,CS(=O)(=O)NCc1cccc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)c1,OYUGLQOTTRLVDQ-UHFFFAOYSA-N
-rxn:4:214074:223142,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(C4CCCNC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,VAQROHPMRASOQV-UHFFFAOYSA-N
-rxn:4:214086:227958,CC(C)N1CCN(Cc2ccc(-c3ccnc(C4CCC4)c3)cc2N2CCCCC2)CC1,SLVSLPUDHYNBTD-UHFFFAOYSA-N
-rxn:4:214145:224369,CCN(CC)S(=O)(=O)c1cc(-c2nc(C(F)(F)F)n3c2CN(C(=O)OC(C)(C)C)CC3)c(F)cc1C,CGHCRCCIFPQCBZ-UHFFFAOYSA-N
-rxn:4:214147:223830,CCN1CCN(S(=O)(=O)c2cc(-c3nc(C(F)(F)F)c4n3CCN(C(=O)OC(C)(C)C)C4)ccc2C)CC1,TXPZYBUFXOXYPG-UHFFFAOYSA-N
-rxn:4:214162:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc4[nH]c(C(=O)N5CCN(CC(F)(F)F)CC5)cc4c3)cc2C1,YUNWFOYSBZXLFZ-UHFFFAOYSA-N
-rxn:4:214221:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]c4c3)c2Cl)CC1,JNYZESOGSWEDMC-QHCPKHFHSA-N
-rxn:4:214255:224647,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2F)c2c(Cl)ncnc21,TYZDXEBQRGLUPZ-UHFFFAOYSA-N
-rxn:4:214274:222631,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4cc(C5CCNCC5)nc(C(C)(C)C)c4)cccc32)CC1,DNFZMGXFXABTRE-UHFFFAOYSA-N
-rxn:4:214276:224290,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(Cl)cc4OCCN4CCOCC4)cnc3[nH]2)CC1,PQJHVCGUBZLEFM-UHFFFAOYSA-N
-rxn:4:214379:223497,CC(c1ccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,XFBULHBMOSOROP-UHFFFAOYSA-N
-rxn:4:214379:225147,COc1cccc(-c2ncc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cc6c7c(c5)CCN7C(=O)CC6)CC4)o3)cn2)c1,FQLYJAPRAOGNBD-UHFFFAOYSA-N
-rxn:4:214446:223602,CN(C)C(=O)Cn1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)n1,GQQAHQDRWVHMGT-UHFFFAOYSA-N
-rxn:4:214477:224835,CN(C)S(=O)(=O)n1cc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)c(C(F)(F)F)n1,QDTHVHMAEIHCBD-UHFFFAOYSA-N
-rxn:4:214569:223712,COc1ccc(-c2c(C3CC3)cnn2S(=O)(=O)N(C)C)cc1C12CC3CC(CC(C3)C1)C2,OQLVKOOHZXYHCU-UHFFFAOYSA-N
-rxn:4:214586:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnc(OC4CCN(C(C)=O)C4)cn3)cc2)C1,VEEVTXUGUXRJDC-UHFFFAOYSA-N
-rxn:4:214652:224796,CN(c1ncc(-c2cncc(S(=O)(=O)OCC(C)(C)C)c2)cc1[N+](=O)[O-])C1CCOCC1,RZYNNTAVHJHIHT-UHFFFAOYSA-N
-rxn:4:214697:223945,Fc1cc(-c2cnn(C3CCN(CC4CC4)CC3)c2)ccc1OCCCN1CCOCC1,NALOHBFVPQTDAY-UHFFFAOYSA-N
-rxn:4:214698:223787,CCCc1nc(N2CCN(C)CC2)sc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,VCALWIRQEWDTNG-UHFFFAOYSA-N
-rxn:4:214700:223814,CCN1CCN(Cc2cncc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)c2)CC1,RLVFUVCWHFIMAZ-UHFFFAOYSA-N
-rxn:4:214707:224627,CN(C)C1CN(C(=O)c2ccc(-c3cnn(C4CCN(S(=O)(=O)C5CC5)CC4)c3)cc2)C1,CQRWFDCMZOZXQV-UHFFFAOYSA-N
-rxn:4:214711:224325,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,MAVFULXLROKXIT-UHFFFAOYSA-N
-rxn:4:214745:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C#N)c(N4CCC(N(C)C)CC4)c3)c2)CC1,DZWATYDFPQYQTG-UHFFFAOYSA-N
-rxn:4:214745:224672,CCN1CCN(c2ccc(-c3ccc(C#N)c(N4CCC(N(C)C)CC4)c3)c(Cl)c2)CC1,TWYKJZIUNXVKRM-UHFFFAOYSA-N
-rxn:4:214747:224194,CCN1CCN(Cc2ccc(-c3cccc(C#N)c3N3CCC(N(C)C)CC3)cc2Cl)CC1,BIUIISIZGGXVPS-UHFFFAOYSA-N
-rxn:4:214747:224197,CCN1CCN(Cc2ccc(-c3cccc(C#N)c3N3CCC(N(C)C)CC3)cc2F)CC1,URPVYQVBWZGLGI-UHFFFAOYSA-N
-rxn:4:214765:224401,CN(C)C1CCN(c2cccc(-c3ccc(C4COCCO4)c(C(F)(F)F)c3)c2[N+](=O)[O-])CC1,YLRZSVZTMKHRJI-UHFFFAOYSA-N
-rxn:4:214772:222442,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cn2)CC1,UOXYINVNDUIDCP-UHFFFAOYSA-N
-rxn:4:214805:224949,COc1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1CN1CCCC1,GTKSMDAPAKBAHH-UHFFFAOYSA-N
-rxn:4:214819:226222,CCCCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)cn1,ZDVRCVAMYNSBHL-UHFFFAOYSA-N
-rxn:4:214819:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCC2)C1,NPJPHUDBYHPJKH-UHFFFAOYSA-N
-rxn:4:214820:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)cn2)CC1,URADQXUCHPKGEW-UHFFFAOYSA-N
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-rxn:4:214830:226255,CCCCOc1ccc(Cl)cc1-c1ccc(N2CCOC(C(=O)N3CCSCC3)C2)nc1,GXZWOROSJBMJBU-UHFFFAOYSA-N
-rxn:4:214835:227252,CCCOc1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)ccc1Cl,MNPCXYATRDCVRF-UHFFFAOYSA-N
-rxn:4:214838:222564,O=C(NCc1ccc(Cl)cc1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,GSGAJWYXROWCLI-UHFFFAOYSA-N
-rxn:4:214838:225591,O=C(C1CN(c2ncc(-c3cc(CN4CCCC4)ccc3F)cc2F)CCO1)N1CCOCC1,MDUAADYGIUIPMU-UHFFFAOYSA-N
-rxn:4:214839:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,SOPRIFKLOTUDCV-UHFFFAOYSA-N
-rxn:4:214839:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1Cl,FDIWBDKOZAAXFD-UHFFFAOYSA-N
-rxn:4:214858:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1S(=O)(=O)NC1CCCCC1,CXYQQQYWXDVIMJ-UHFFFAOYSA-N
-rxn:4:214871:222584,O=C(C1CCCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2Cl)C1)N1CCOCC1,AHJIEKLBLZPCQI-UHFFFAOYSA-N
-rxn:4:214873:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1,XEBACHZTYXGCPR-UHFFFAOYSA-N
-rxn:4:214874:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1C,QWJADEWSGSOBJR-UHFFFAOYSA-N
-rxn:4:214885:228353,CN(C)c1ncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(Cl)c2)cc1Cl,KABACXRJOWAWPM-UHFFFAOYSA-N
-rxn:4:214886:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1,WZAVNBDWWSIQTD-UHFFFAOYSA-N
-rxn:4:214888:226148,C[Si](C)(C)C#Cc1cccc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)c1,ASQIWYZMKVTPQD-UHFFFAOYSA-N
-rxn:4:214899:222927,Cc1nc(N2CCCCC2O)ncc1-c1ccc(N2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1,TZEYKIAONJUWLB-UHFFFAOYSA-N
-rxn:4:215056:225207,Cc1c(-c2ccc(CSC3=NN4CCCC(=O)N=C4S3)cc2)cc(C2CC2)cc1C(F)(F)F,QDCRLKZYXWWXIR-UHFFFAOYSA-N
-rxn:4:215064:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2nc3c([nH]2)CN(C(=O)OC(C)(C)C)CC3)cc1,FEVFIEIZWKQCBB-UHFFFAOYSA-N
-rxn:4:215112:222584,CCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3s2)CC1,VEVJFWGPJNVJRF-UHFFFAOYSA-N
-rxn:4:215114:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(C(=O)N4CC(c5nc6cc(C)ccc6[nH]5)C4)o3)c2)CC1,KHHYANAEOBAPDT-UHFFFAOYSA-N
-rxn:4:215114:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CC(c5nc6cc(C)ccc6[nH]5)C4)o3)ccc2OC)CC1,FHISKEVRNGTICK-UHFFFAOYSA-N
-rxn:4:215170:228140,CC(c1ccc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)s1)N(C)C,PSMFMQVYBXYJJR-UHFFFAOYSA-N
-rxn:4:215188:222406,CCNC(=S)Nc1cccc(-c2ccc(N3C(=O)N(c4ccc([N+](=O)[O-])cc4)C4CS(=O)(=O)CC43)cc2)c1,KBGHTQQDNSSULO-UHFFFAOYSA-N
-rxn:4:215226:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4OC5C(=O)N(c6ccccc6)C(=O)C5C4c4cccnc4)cc3)cc2[N+](=O)[O-])CC1,XILQCAULKWXAIH-UHFFFAOYSA-N
-rxn:4:215302:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCN(Cc5ccccc5)CC3)O4)cc2F)CC1,NZYXQGNBLDCMTM-UHFFFAOYSA-N
-rxn:4:215787:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cc([N+](=O)[O-])cnc2N2CCCCC2)CC1,DTYSBDFVIGRQHU-UHFFFAOYSA-N
-rxn:4:215908:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cncc(N2CCN(S(C)(=O)=O)CC2)c1,CKANZNXABYJIDI-UHFFFAOYSA-N
-rxn:4:215914:224247,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1ccc(C(=O)N2CCC(C)CC2)cc1F,BSARCTMKILRXCU-UHFFFAOYSA-N
-rxn:4:215988:222539,CC1CCCN(c2cc(C(C)(C)C)nc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)n2)C1,HEJDVSZMTVQKAB-UHFFFAOYSA-N
-rxn:4:215989:222895,CCCCS(=O)(=O)Nc1ccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)cc1,HHLPPNPPNYJAFT-UHFFFAOYSA-N
-rxn:4:216221:223589,CC(=O)N1CCN(c2nc3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4C)cc3s2)CC1,SACPQGCXGKVUMP-UHFFFAOYSA-N
-rxn:4:216351:223830,CCC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(CC)CC4)c3)cc12,FMGREVIEKFSAFG-UHFFFAOYSA-N
-rxn:4:216354:227762,CC(=O)N1CCC2(CC1)Oc1ccc(-c3cccc(Cl)c3C(F)(F)F)cc1C1CC(c3ccccc3)=NN12,AOCPDEUPZGDWSK-UHFFFAOYSA-N
-rxn:4:216355:222961,CCCCNC(=O)c1cccc(-c2ccc3c(c2)C2(C(=O)N3C)c3[nH]c4ccccc4c3CCN2C(=O)C(C)C)c1,RMBXXOWRGSBGKZ-UHFFFAOYSA-N
-rxn:4:217889:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c3ccccc23)CC1,UOTIUWDQQRJOCY-UHFFFAOYSA-N
-rxn:4:217889:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c2)CC1,UGNLLCKZDANJNP-UHFFFAOYSA-N
-rxn:4:217889:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c2)CC1,ZZTSYEQMAUHKJZ-UHFFFAOYSA-N
-rxn:4:218585:224649,N#Cc1ccc(CN2CCC(COc3ncc(-c4cc(F)ccc4OCC4CCCCO4)cn3)CC2)c(F)c1,XQRVHKRXSNRISW-UHFFFAOYSA-N
-rxn:4:218603:222879,CC(C)(C)C(=O)Nc1cccc(Cl)c1-c1cnc(OCC2CCCN(C(=O)CN3C(=O)CCC3=O)C2)nc1,SROLSVHXSZVWTQ-UHFFFAOYSA-N
-rxn:4:218603:224525,O=C(CN1C(=O)CCC1=O)N1CCCC(COc2ncc(-c3cccc(COc4ccccc4Cl)c3)cn2)C1,RMUGLTSCUCMPQI-UHFFFAOYSA-N
-rxn:4:218619:222925,O=C(CCc1ccccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1)N1CCC(n2cc(C3CC3)nn2)C1,ZGJJUITXUSLZKZ-UHFFFAOYSA-N
-rxn:4:218642:224596,COc1cc(N2CCCCC2C)ccc1-c1cncc(C(=O)N2CCC(COc3cc(C4CC4)ncn3)CC2)c1,ADVDSRSXFWQKFQ-UHFFFAOYSA-N
-rxn:4:218653:224680,COc1ccc(N2CC(C(=O)N3CC(Cn4cc(-c5cc(C(=O)N6CCCCC6)ccc5F)cn4)C3)CC2=O)cc1,PSZLWZRSDMZNNK-UHFFFAOYSA-N
-rxn:4:218691:222588,O=C(COc1ccc(F)cc1)N1CCCN(c2cc(-c3ccc(-c4ccc(OCCN5CCC(O)CC5)c(F)c4)cc3)n[nH]2)CC1,FLFWGWPOVCNGKK-UHFFFAOYSA-N
-rxn:4:218698:227696,COC(=O)c1ccc(-c2ccc(N3CC(C(=O)N4CCN(CCc5ccncc5)CC4)CC3=O)cc2)c(F)n1,BVXNLRMTAHVBGV-UHFFFAOYSA-N
-rxn:4:218700:225062,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccnc(-c5ccc(F)cc5C)c4)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,AFTBSQTYHKUVMQ-UHFFFAOYSA-N
-rxn:4:218703:224650,COc1ccc(-c2cc(N3CCCN(C(=O)Cc4ccccc4-c4cc(F)ccc4OCC4CCOCC4)CC3)[nH]n2)cc1,ZWZUTZARYVKYMI-UHFFFAOYSA-N
-rxn:4:218711:226802,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-n4ccnc4)cc3F)CC2)CC1,PIRAIBAGTXZHLR-UHFFFAOYSA-N
-rxn:4:218712:223280,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cnc(C5CCNC5)nc4)c3C)CC2)c(C)c1,SPAJVVSVJWSVSD-UHFFFAOYSA-N
-rxn:4:218755:226530,CCOC(=O)c1cccc(-c2cc3c(s2)c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n3CC#N)c1F,YQEULLLBFUPLHG-UHFFFAOYSA-N
-rxn:4:218772:226262,CCCCOc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2)c1Cl,NMVDARJHXRWBAI-UHFFFAOYSA-N
-rxn:4:218788:225733,CCCCOc1cc(-c2ccccc2C(=O)N=c2c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2C2CCCCC2)c(F)cc1F,ZZFOLXBDEZVWGS-UHFFFAOYSA-N
-rxn:4:218857:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cnccc1OC1CCN(C(=O)c2cn(C)nc2C(F)F)C1,ZPGDEUZZLVHTJC-UHFFFAOYSA-N
-rxn:4:218867:225803,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(OC4CCOCC4)c3)c2)no1,MUGNEKJOCVHLCB-UHFFFAOYSA-N
-rxn:4:218867:227390,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnn3C3CCCCC3)c2)no1,MAPLYSHOFXTAJQ-UHFFFAOYSA-N
-rxn:4:218884:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2CCCC(COc3ncccn3)C2)c1,HNZOVAGGSQCVBO-UHFFFAOYSA-N
-rxn:4:218885:223812,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,WGAKFMCBHVTOGT-UHFFFAOYSA-N
-rxn:4:218889:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)on5)C4)nc3)c(Cl)c2)CC1,ISMFERIFCZGHAH-UHFFFAOYSA-N
-rxn:4:218895:222634,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCC5)c(F)c4)c3)C2)c1F,LQIGFXUVGDLATC-UHFFFAOYSA-N
-rxn:4:218915:223533,Cc1nc(CN2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)cs1,VECRYHHFYOZXIT-UHFFFAOYSA-N
-rxn:4:218917:223226,CCC(=O)Nc1cccc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,LHKCNQAKRYVKRY-UHFFFAOYSA-N
-rxn:4:218948:223550,CC(C)c1cccc(C(C)C)c1OCc1ccccc1-c1cnc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1,DIGNPDFOMYNZDG-UHFFFAOYSA-N
-rxn:4:218973:222546,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)c3)CC2)nc1,WTVSMLZMZDEIKL-UHFFFAOYSA-N
-rxn:4:218998:223849,CCCCCc1ccc(-c2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)cc2)cc1,OVRQTFRTFQBZOZ-UHFFFAOYSA-N
-rxn:4:219046:224578,O=C1C(N2CCCC(COc3ncc(-c4cc(-c5cnccn5)cc(C5CC5)c4)cn3)C2)CCN1C1CC1,OVCVIGCYHOGNJF-UHFFFAOYSA-N
-rxn:4:219050:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccc(-c2csc(N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)cc1,BSWTZTGWYBARNT-UHFFFAOYSA-N
-rxn:4:219050:226006,O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2nc(-c3ccc(-c4cc(F)cc(OCC(F)(F)F)c4)cc3)cs2)CC1,LLYCEMHCBMEKAJ-UHFFFAOYSA-N
-rxn:4:219051:225574,COC(=O)c1cc(C2CC2)ccc1-c1cnc(N(C)C2CCCN(C(=O)OC(C)(C)C)CC2)cn1,YGLMKLLORDBZQS-UHFFFAOYSA-N
-rxn:4:219120:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)CC1,BTUUONCEKFUESX-UHFFFAOYSA-N
-rxn:4:219130:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c(F)cc2C)CC1,HMNUJEQWRFAYSQ-UHFFFAOYSA-N
-rxn:4:219225:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CC(Cn5cncn5)C4)o3)ccc2OC)CC1,DNXAAJVLJKEWMD-UHFFFAOYSA-N
-rxn:4:219294:223945,Cc1nc(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)cs1,YDZNYOAXRHVYHY-UHFFFAOYSA-N
-rxn:4:219340:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)c2)CC1,LOFOKUBXPVKPFX-UHFFFAOYSA-N
-rxn:4:219340:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)o2)c1,KMKUOBWXJQXEOL-UHFFFAOYSA-N
-rxn:4:219354:223897,Cc1ccc(-c2cnc(N3CCC(N(C)S(=O)(=O)C4CC4)C3)nc2)cc1OCCCN1CCOCC1,RZIUFODEFZAXKT-UHFFFAOYSA-N
-rxn:4:219364:222719,O=C(c1cncc(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)c1)N1CCCC(Oc2ncc(Cl)cn2)C1,BLOOEZOBBVSTPY-UHFFFAOYSA-N
-rxn:4:219372:225975,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccnc(N3CCOCC3)c2Cl)CC1,NXWDZDPBCGBTJX-UHFFFAOYSA-N
-rxn:4:219388:222434,O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)o2)cc1,PUHZHCYKZGHQTK-UHFFFAOYSA-N
-rxn:4:219404:222511,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cc(C(=O)NC4CCCCC4)cc([N+](=O)[O-])c3)n2)CC1,ABEZSKDYHUUAJU-UHFFFAOYSA-N
-rxn:4:219405:225975,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccnc(N4CCOCC4)c3Cl)n2)CC1,VWILKJYMGPAOOA-UHFFFAOYSA-N
-rxn:4:219414:227472,CCCOc1ncc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C#N)c1,XTVBEEPCVUCNOJ-UHFFFAOYSA-N
-rxn:4:219436:228348,CN(C)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)c(F)n1,HNCOGYYUHZVPEV-UHFFFAOYSA-N
-rxn:4:219437:223813,COc1ccccc1N1CCN(c2ncc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)cc2C#N)CC1,DWFJRQXVACYSOF-UHFFFAOYSA-N
-rxn:4:219451:223075,Cn1cc(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C(=O)N2CCCN(CC3CC3)CC2)n1,HAYUSSPWVXHIMK-UHFFFAOYSA-N
-rxn:4:219451:223178,CONC(=O)c1ccc(F)c(-c2cn(C)nc2C(=O)N2CCCN(CC3CC3)CC2)c1,VPELSAGQXBGTEE-UHFFFAOYSA-N
-rxn:4:219462:225127,Cc1cc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)c(F)c(OCC(C)C)c1F,WMWWIOXLRXBSGL-UHFFFAOYSA-N
-rxn:4:219477:222695,Cc1ccc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1S(=O)(=O)NC1CCCC1,ODUOOMREDHCEFB-UHFFFAOYSA-N
-rxn:4:219487:224291,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3ccc(OCCN4CCOCC4)c(F)c3)cn2)CC1,NXQVRRFBXMRKCU-UHFFFAOYSA-N
-rxn:4:219529:225202,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1cc(C2CCC2)cc(C(F)(F)F)c1,ANXAJFRWSQRUHP-UHFFFAOYSA-N
-rxn:4:219530:225929,Cc1cc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)ccc1S(=O)(=O)N(C)C,NCHFAPQLPIZFNU-UHFFFAOYSA-N
-rxn:4:219532:224395,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cc(N2CCOCC2)cc(C(F)(F)F)c1,FSLYFHCAUXUVSF-UHFFFAOYSA-N
-rxn:4:219534:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)cc2)CC1,XKLOEJAEAJMVQV-UHFFFAOYSA-N
-rxn:4:219639:225181,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cccc(CN5CCOCC5)c4F)cn3n2)C1,KTECTVPEPUYCND-UHFFFAOYSA-N
-rxn:4:219639:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1ccc2nc(C3CCN(C(=O)OC(C)(C)C)C3)nn2c1,LWYCYQIBEMGNTJ-UHFFFAOYSA-N
-rxn:4:219653:223997,Cc1cc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc(C)c1S(=O)(=O)N1CCOCC1,RCQYNGXFIKRNHK-UHFFFAOYSA-N
-rxn:4:219654:224662,CN1CCN(Cc2ccc(F)cc2-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)CC1,KQXKYQWUGWVRNJ-UHFFFAOYSA-N
-rxn:4:219654:224668,CCN1CCN(c2cc(F)cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c2)CC1,CBGNXZIIACMSJS-UHFFFAOYSA-N
-rxn:4:219688:224606,CCCOc1cc(-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)nn3c2)cc(Cl)c1OC(C)C,OHYQHHNXTVAJGG-UHFFFAOYSA-N
-rxn:4:219706:224975,CCN1CCN(c2ccc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)cc2)CC1,JUQPGCUTMJKXNX-UHFFFAOYSA-N
-rxn:4:219706:225898,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4cnn(CCN5CCOCC5)c4)c(Cl)cc23)CC1,MXYFMZXVFOHRAG-UHFFFAOYSA-N
-rxn:4:219707:226473,CN(C)CCOc1ncccc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F,UMNBUCGWABLUPU-UHFFFAOYSA-N
-rxn:4:219743:224667,CC(C)c1sc(-c2ccc(Cl)c(CN3CCN(C)CC3)c2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,MWZUTTAAJDYOPD-UHFFFAOYSA-N
-rxn:4:219766:226332,O=C(c1cncc(-c2ccccc2C(=O)N2CCC2)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,XZPKGXAUNZXIRQ-UHFFFAOYSA-N
-rxn:4:219793:224719,CC1CCN(C(=O)CSc2nc3ccc(-c4cn(C(=O)OC(C)(C)C)nc4C(C)C)cc3c3nc4ccccc4n23)CC1,KRXUOZVJXZGXGS-UHFFFAOYSA-N
-rxn:4:219904:222585,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)CC1,LHAVADZOYSICKD-UHFFFAOYSA-N
-rxn:4:219934:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c2Cl)CC1,VGXKDRSDHRMAFZ-UHFFFAOYSA-N
-rxn:4:219937:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(C2CN(S(=O)(=O)c3cn(C)cn3)CCO2)n1,ATGNRJDMGLCTLZ-UHFFFAOYSA-N
-rxn:4:219959:223071,CCS(=O)(=O)NCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1,SZBZYQOKJGVKDH-UHFFFAOYSA-N
-rxn:4:219975:225008,COC1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)cc2)CC1,IYPBIVQUXQIMRF-UHFFFAOYSA-N
-rxn:4:220134:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2ccnn2)C3)cc1S(=O)(=O)NC1CCCC1,MHPYNFSEOUPTBE-UHFFFAOYSA-N
-rxn:4:220209:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCCc4cnc(N5CCOCC5)nc43)cc2)CC1,OLCVYHBESXJLKO-UHFFFAOYSA-N
-rxn:4:220244:223828,CCN1CCN(c2cc(-c3ccc(-n4cc(-c5ccccc5)c5c(N6CC(C)CC(C)C6)ncnc54)cc3)cc(C(F)(F)F)c2)CC1,PWWVQIDBDXRRRZ-UHFFFAOYSA-N
-rxn:4:220405:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCC(N4CCOC4=O)C3)nc2)CC1,YPLDUWJEORDILR-UHFFFAOYSA-N
-rxn:4:220414:224491,Cc1c(-c2ccc(F)c(CN(C(C)C)C(C)C)c2)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],ILQMXRHACCPYJR-UHFFFAOYSA-N
-rxn:4:220427:223525,CN1CCN(c2ccc(-c3ccc(-c4cccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)nn2)CC1,VCIJGVGWSWMFHL-UHFFFAOYSA-N
-rxn:4:220430:225361,FC(F)(F)c1nn(C2CCCC2)cc1-c1cnc(N2CCCN(C3CCSC3)CC2)nc1,GJKPZDFWXLVWCG-UHFFFAOYSA-N
-rxn:4:220544:224410,Cc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(OCC(F)(F)F)c(C(F)(F)F)c5)c(C)c4)C3C2=O)cc1F,PETMIISAMDVEHR-UHFFFAOYSA-N
-rxn:4:220551:223786,Cc1cc2ncc3c(n2n1)CCN(S(=O)(=O)c1ccccc1-c1ccc(OCCCN2CCN(C)CC2)c(Cl)c1)C3,COJYWMLUWYOVLV-UHFFFAOYSA-N
-rxn:4:220558:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2cc3c(s2)-n2c(nnc2C2CCCCC2)CN=C3c2ccccc2Cl)cc1F,MHTLJQXCYJBYSY-UHFFFAOYSA-N
-rxn:4:220936:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn4ccnc4c(N4CCOCC4)n3)cc(F)c2F)CC1,OZAJKIURFKKNFD-UHFFFAOYSA-N
-rxn:4:220936:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn4ccnc4c(N4CCOCC4)n3)cc2F)CC1,HDVFBOVJLIMMHK-UHFFFAOYSA-N
-rxn:4:221098:223501,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cn3)CC2)c(C(F)F)n1,UTTJICQKOBXUOS-UHFFFAOYSA-N
-rxn:4:221105:223558,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc5c(c4)CCN(C(=O)OCc4ccccc4)C5)cn3)C2)nc1C,FGVSIOPNOPVQPD-UHFFFAOYSA-N
-rxn:4:221152:224613,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cccc(N(C)C(=O)OC(C)(C)C)c3)cn2)C1,AQNDLAYXOKAHTB-UHFFFAOYSA-N
-rxn:4:221170:224319,CCc1cnc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C)cn3)C2)nc1,AYSZZJJDOCRMSD-UHFFFAOYSA-N
-rxn:4:221179:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)c2)CC1,AKOCRWMAVABYFC-UHFFFAOYSA-N
-rxn:4:221193:225362,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cnn(S(=O)(=O)c5ccccc5)c4)cn3)C2)CC1,QSOJQDHMUCRQHV-UHFFFAOYSA-N
-rxn:4:221194:226662,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(N5CCN(C)CC5)s4)cn3)CC2)cn1C,JHISYKXGVUPGHD-UHFFFAOYSA-N
-rxn:4:221207:223279,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,FSUDYUCAEHCOBD-UHFFFAOYSA-N
-rxn:4:221207:224615,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4cccc(OCCN5CCOCC5)c4)cc3)CC2)n1,ANSITLITGOETCZ-UHFFFAOYSA-N
-rxn:4:221226:223926,c1ccn2cc(CN3CCCC(COc4ncc(-c5ccc(CN6CCC7(CC6)OCCO7)cc5)cn4)C3)nc2c1,QSRGJINCHGEXNK-UHFFFAOYSA-N
-rxn:4:221232:222634,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C1)CCOC2,MGJYXKBSOJLPAV-UHFFFAOYSA-N
-rxn:4:221232:225872,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(F)c(F)c(N5CCCC5)c4)cn3)C1)CCOC2,YLYDCSJZWKNHFM-UHFFFAOYSA-N
-rxn:4:221245:225313,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(N6CCN(C)CC6)nc5F)c4)CC3)nn2c1C,KKUPHMHCDJDKKO-UHFFFAOYSA-N
-rxn:4:221246:223639,Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(-c3ccc(-c4ccc(N5CCN(Cc6ccccc6)CC5)nc4)cc3)nc2n(C)c1=O,WDOSTJUHGZGQPT-UHFFFAOYSA-N
-rxn:4:221273:223650,Cn1c(=O)n(Cc2ccc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,CMSGFWPDAHZDMN-UHFFFAOYSA-N
-rxn:4:221345:222546,Fc1cc(-c2cnc(OCC3CCN(c4ncc(Cl)cn4)CC3)nc2)ccc1OCCNC1CCCCC1,WZCONHZMLKZDNI-UHFFFAOYSA-N
-rxn:4:221369:224718,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)ccc1=O,MMEFORSGKIDLBS-UHFFFAOYSA-N
-rxn:4:221375:222584,Cn1cnc(N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)cc1=O,AIRFGBZCTNTAGX-UHFFFAOYSA-N
-rxn:4:221380:223893,CCN1CCN(CCOc2cccc(-c3cncc(C(=O)N4CCC(n5nc(C(F)(F)F)n(C)c5=O)CC4)c3)c2)CC1,SCONTFDLYZWNBN-UHFFFAOYSA-N
-rxn:4:221413:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(c5cc(N6CCOCC6)ncn5)CC4)o3)c2)CC1,VDVASHXQUGXFBF-UHFFFAOYSA-N
-rxn:4:221413:225717,COCCOCc1ccc(F)cc1-c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)o1,MDWSQBVJGUCSGL-UHFFFAOYSA-N
-rxn:4:221414:223532,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)CC2)cn1C,OXHNIKASHCSPIV-UHFFFAOYSA-N
-rxn:4:221414:224710,CCCCOc1cc(-c2cncc(C(=O)N3CCCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)c2)cc(C(F)(F)F)c1,SIEAMSIXTQYTDA-UHFFFAOYSA-N
-rxn:4:221414:225994,CCSc1ncc(C(F)(F)F)cc1-c1cncc(C(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1,AOALQIMWEDLLPM-UHFFFAOYSA-N
-rxn:4:221421:222902,COC(=O)CNC(=O)c1cccc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,XLGNCCNFYBNTML-UHFFFAOYSA-N
-rxn:4:221423:222783,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)ccc1Cl,KBJCEZCYYAJBKZ-UHFFFAOYSA-N
-rxn:4:221440:222466,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)CC2)n1,IDLVMUXUTCZYBN-UHFFFAOYSA-N
-rxn:4:221440:223279,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,NHVUQHAZQFXNEM-UHFFFAOYSA-N
-rxn:4:221445:226719,CCOC(=O)c1cnc(Cl)c(-c2cccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)c2)c1,RYSUIWDPSXNOHU-UHFFFAOYSA-N
-rxn:4:221448:226844,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,IZZNKYIHEUTRNB-UHFFFAOYSA-N
-rxn:4:221454:225719,COCCOc1ccc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1OC,CYUGVDWPTGNTPC-UHFFFAOYSA-N
-rxn:4:221491:224801,CCCOc1cc(-c2cnc(N3CC4CCCC4(COc4ncc(F)cn4)C3)nc2)cc(C(F)(F)F)c1F,OJFOFWQLGOGWQC-UHFFFAOYSA-N
-rxn:4:221528:223738,CC(C)c1sc(-c2ccc3cc(O[Si](C)(C)C(C)(C)C)ccc3c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,POXAAKCOBVRABG-UHFFFAOYSA-N
-rxn:4:221568:223844,Cn1c(=O)n(Cc2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc2)c(=O)c2c1nc1n2CCCN1Cc1ccccc1,PITMHVPYTNMGFQ-UHFFFAOYSA-N
-rxn:4:221569:224288,COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(N(C)C(=O)OC(C)(C)C)cc4Cl)cc3)c(=O)n2C)cc1,ZHIBUMQOGFPGSW-UHFFFAOYSA-N
-rxn:4:221753:224366,CC(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OC(F)(F)F)c(OCC4CC4)c3)cc2)n(C)c1=O,UWDLZCFAMIRWGX-UHFFFAOYSA-N
-rxn:4:221836:222717,Cc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)cc1F,DUZSYPUOTQKRGA-UHFFFAOYSA-N
-rxn:4:221849:223608,CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cc2)n(C)c1=O,HFBNENCEXHTJDC-UHFFFAOYSA-N
-rxn:4:221925:223943,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccccc5-c5c(Cl)c(C)cc6c5cnn6C5CCCCO5)no4)C3C2=O)cc1,LVCXSFCEJQPCDK-UHFFFAOYSA-N
-rxn:4:221939:223595,Cn1ncnc1CN1CCC(COc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,LDYVGBAXRJPUPT-UHFFFAOYSA-N
-rxn:4:221940:223596,Cn1cnnc1CN1CCC(COc2ncc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,VWMGNVVDWHQQFH-UHFFFAOYSA-N
-rxn:4:221947:223541,O=C(c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)o1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1,GQDLTDXFMKCWAZ-UHFFFAOYSA-N
-rxn:4:221965:222729,CCCc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc(C2CCCNC2)n1,BNQSJAGFDWQLNT-UHFFFAOYSA-N
-rxn:4:221965:223785,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(CC)CC6)nn5)CC4)cc3)cc2Cl)CC1,OYCPSEVBKZJCDY-UHFFFAOYSA-N
-rxn:4:221965:226355,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)c(OC)cc5Cl)cc4)CC3)nn2)CC1,XFLRYAUIVMHOKQ-UHFFFAOYSA-N
-rxn:4:221978:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)c2)C1,XDBXUHZQOBGEKE-UHFFFAOYSA-N
-rxn:4:221979:224407,CCc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(S(=O)(=O)N7CCC(F)(F)C7)c6)cc5)no4)C3C2=O)cc1,RHFCJFNHTDLJCW-UHFFFAOYSA-N
-rxn:4:221980:226457,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(C6CCOC6)c(F)c5)c4)sc3n2)CC1,OHWCMEUAISBRPI-UHFFFAOYSA-N
-rxn:4:221983:223871,Cc1cc(C)n2c(-c3cccc(C(=O)N(C)Cc4ccccc4)c3)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1,KZPDPRRHQCVPGA-UHFFFAOYSA-N
-rxn:4:222039:225052,CC1CCCCN1c1cc(F)cc(-c2ccc(-n3cnnn3)c(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c2)c1,RKTQHIGZRGPORX-UHFFFAOYSA-N
-rxn:4:222062:222837,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(CC(=O)NC(C)(C)C)c4)cc3)CC2)n1,WVMIPTJEMCNNEL-UHFFFAOYSA-N
-rxn:4:222062:223311,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C5CNC5)c4)cc3)CC2)n1,HFKACXXSJAZIOW-UHFFFAOYSA-N
-rxn:4:222062:225549,CCCCC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1F,CLDKHQJGPUWYRC-UHFFFAOYSA-N
-rxn:4:222062:226382,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCCC5)nc4)cc3)CC2)n1,GAIKCGJPDGYKNR-UHFFFAOYSA-N
-rxn:4:222089:222900,CC(C)(C)OC(=O)NCc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cs1,UTDGRAKYADBQFI-UHFFFAOYSA-N
-rxn:4:222108:222937,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NCC(F)(F)F)cc6)cc5)no4)C3C2=O)cc1F,QAQHDNJSJOWKPN-UHFFFAOYSA-N
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-rxn:4:222108:225560,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(COC7CCOC7)c6)cc5)no4)C3C2=O)cc1F,FXFNFDCWAGDISX-UHFFFAOYSA-N
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-rxn:5:178295:228189:227561,CCSc1ccc(F)c(-c2ccc(-c3cc(OC)c(OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZRNGUNGPPFDIRC-UHFFFAOYSA-N
-rxn:5:178295:228227:222405,COC(=O)C1(c2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2-c2ccc(C(C)C)nc2F)CCC(=O)CC1,BSGXLXJYNJSKHP-UHFFFAOYSA-N
-rxn:5:178295:228268:226349,COC(=O)C1(c2cc(-c3cc(F)cc(OC(C)(C)C)c3)ccc2-c2ccc(C)c(F)c2SC)CCC(=O)CC1,RQWNJYDIZXVVAW-UHFFFAOYSA-N
-rxn:5:178295:228406:226910,CCC(C)(C)c1ccc(-c2ccc(-c3c(F)ccc(OC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,GHMLLCIQSKWPMY-UHFFFAOYSA-N
-rxn:5:178295:228419:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cc(F)c(SC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,ZTTJRWAISUJZPN-UHFFFAOYSA-N
-rxn:5:178295:228428:227548,CCOc1ccc(F)c(F)c1-c1ccc(-c2cc(OC)cc(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,DIPDICFXNMHCFO-UHFFFAOYSA-N
-rxn:5:178295:228562:227077,CCC(C)c1csc(-c2ccc(-c3ccc(C(C)CC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DIMWKVODWUFFIV-UHFFFAOYSA-N
-rxn:5:178295:229169:222404,COC(=O)C1(c2cc(-c3ccc(C4NC(=O)NC4=O)cc3)ccc2-c2cscc2C(F)F)CCC(=O)CC1,NHNRZFIHNHOMIY-UHFFFAOYSA-N
-rxn:5:178313:225394:227103,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2sccc2C2CCCCC2)c1,WJGQGXSXSQROSO-UHFFFAOYSA-N
-rxn:5:178313:225451:226191,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCCC3)cc2)c(-c2cc(C3CCCC3)ccc2F)c1,WVTMOADISYXBPE-UHFFFAOYSA-N
-rxn:5:178313:225672:227048,CC(C)C(=O)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cc(F)nc(C3CCCCC3)c2)cc1,VNNOQIIFNXFCAH-UHFFFAOYSA-N
-rxn:5:178313:225815:223285,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CC3)cc2C(F)(F)F)c(-c2ccccc2NS(C)(=O)=O)c1,SSDFCZBWRNMDPY-UHFFFAOYSA-N
-rxn:5:178313:226183:226069,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnccc2C2CCCCC2)c(-c2cccc(C3CCCCC3)c2)c1,XZAQBRUKPWLCPX-UHFFFAOYSA-N
-rxn:5:178313:226794:226739,CC(=O)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cnc(N3CCSCC3)nc2)cc1[N+](=O)[O-],LWBBHYIQRMBVOA-UHFFFAOYSA-N
-rxn:5:178313:226907:225499,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc3c2CCC32CC2)c(-c2ccc(C3CCCCC3)cc2F)c1,GIPIKVBLCQAYGX-UHFFFAOYSA-N
-rxn:5:178313:226919:225672,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3CCCC3)c2)c(-c2cc(F)nc(C3CCCCC3)c2)c1,CDLHOHNPOLLDFI-UHFFFAOYSA-N
-rxn:5:178314:225450:227107,Cc1cc(-c2ccc(-c3ccc(C(=O)C4CCCC4)cc3)cc2O[Si](C)(C)C(C)(C)C)c(F)c(C2CC2)c1,CGBLLJBFYFWDBC-UHFFFAOYSA-N
-rxn:5:178314:226139:223062,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CC3)cnc2C2CC2)ccc1-c1cnc(C2CCNCC2)cc1F,SBOKJFWUXLFRKE-UHFFFAOYSA-N
-rxn:5:178314:227089:225407,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccncc2C2CCCC2)ccc1-c1ccc(C2CCCCCC2)cc1,BQQMWGOECQBZGI-UHFFFAOYSA-N
-rxn:5:178314:227120:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCC3)cc2F)ccc1-c1cccc(SC2CCCCC2)c1,BEBUIGHVQCCTEP-UHFFFAOYSA-N
-rxn:5:178315:225453:227558,Cc1cc(OC(F)F)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cccc(SC3CCCCC3)c2)c1,ZQQBWTCETBAQOO-UHFFFAOYSA-N
-rxn:5:178315:225666:227120,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(F)cc(N3CCCCC3)c2)cc(-c2ccc(C3CCC3)cc2F)c1,CQSOGIYOJZGFIF-UHFFFAOYSA-N
-rxn:5:178315:225945:227086,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccnc(C3CCCC3)c2)cc(-c2ccc(C#CC(F)(F)F)c(F)c2)c1,WXTGGFANLUXBDX-UHFFFAOYSA-N
-rxn:5:178315:226069:226320,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3CCCCC3)c2)cc(-c2cc(C3(C#N)CC3)ccc2F)c1,XNJAFRPCULCINV-UHFFFAOYSA-N
-rxn:5:178315:226176:226189,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCC3)c(F)c2)cc(-c2ccncc2C2CCCCC2)c1,KFCVNLGCWJKZNJ-UHFFFAOYSA-N
-rxn:5:178353:226794:226426,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCC(C)CC4)s3)c(C)c2)c(C)cc1-c1cnc(N2CCSCC2)nc1,JLNWWSCGCAYAMB-UHFFFAOYSA-N
-rxn:5:178353:226794:226427,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(N4CCC(C)CC4)cs3)c(C)c2)c(C)cc1-c1cnc(N2CCSCC2)nc1,DOMGCNWHXAUGOT-UHFFFAOYSA-N
-rxn:5:178353:226794:226661,Cc1cc(S(=O)(=O)Oc2ccc(-c3cc(N4CCN(C)CC4)cs3)c(C)c2)c(C)cc1-c1cnc(N2CCSCC2)nc1,LUECZBOYEIWWNF-UHFFFAOYSA-N
-rxn:5:178353:226794:226662,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCN(C)CC4)s3)c(C)c2)c(C)cc1-c1cnc(N2CCSCC2)nc1,QMCPELVMHXLNGW-UHFFFAOYSA-N
-rxn:5:178466:222405:223061,CC(C)OC(=O)c1sc2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2c1-c1cc(C2CCNCC2)ncc1F,KWZCAKZFHATHSS-UHFFFAOYSA-N
-rxn:5:178466:225833:225982,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cnc(N2CCOCC2)cc1F,XXCYFBHTKMRGAT-UHFFFAOYSA-N
-rxn:5:178467:222990:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3ccc(N4CCC(O)CC4)cc3)c2OC1,KZEWRWSLPYZFME-UHFFFAOYSA-N
-rxn:5:178467:223008:228457,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)nc3)cc(-c3cc(C4CCNCC4)ccc3F)c2OC1,BCIRHHFWAVNDGJ-UHFFFAOYSA-N
-rxn:5:178467:223062:226649,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCOCC3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,IIGPUNMJHJDWCG-UHFFFAOYSA-N
-rxn:5:178467:223064:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,FQWVEYMADWLWFH-UHFFFAOYSA-N
-rxn:5:178467:223065:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,NYQJGFOZEGULHA-UHFFFAOYSA-N
-rxn:5:178467:223139:223281,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,NKUPZVRPGPKMJP-UHFFFAOYSA-N
-rxn:5:178467:223139:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,MBUSQTAHGQUJHV-UHFFFAOYSA-N
-rxn:5:178467:223142:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3ccc(C4CCCNC4)nc3)c2OC1,RHEPPUCFXOEJPU-UHFFFAOYSA-N
-rxn:5:178467:223294:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3csc(N4CCNCC4)n3)c2OC1,OVRSICSTQPOQLW-UHFFFAOYSA-N
-rxn:5:178467:223294:227666,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)=O)c(F)c3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,AWEZNMFZQVELBH-UHFFFAOYSA-N
-rxn:5:178467:225849:223066,CCOC(=O)C1=Cc2cc(-c3ccc4c(C(=O)OC)n[nH]c4c3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,XIRHQRAGCMOHGT-UHFFFAOYSA-N
-rxn:5:178467:225976:227093,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCC3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,KUCYCBISSMCMLN-UHFFFAOYSA-N
-rxn:5:178467:225980:223016,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,FELOUZLITXSUEW-UHFFFAOYSA-N
-rxn:5:178467:226330:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3ccc(C(C)N4CCCC4)s3)c2OC1,ZZWWZXLIJZICAL-UHFFFAOYSA-N
-rxn:5:178467:226664:225631,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)cc3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,KROKGAITUMSJIP-UHFFFAOYSA-N
-rxn:5:178467:227093:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cccnc3C3CCCC3)c2OC1,MDDBQXDLHXEGRH-UHFFFAOYSA-N
-rxn:5:178467:227505:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2OC1,PLKMJCSIWBKBFV-JLHYYAGUSA-N
-rxn:5:178467:228320:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(C(=O)OC)c3)c2OC1,ULSOSCCWDLXTNH-UHFFFAOYSA-N
-rxn:5:178467:228321:225641,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCC(C)C4)c3)cc(-c3cncc(C(=O)OC)c3)c2OC1,CJZBGFMABALZMW-UHFFFAOYSA-N
-rxn:5:178467:228348:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3ccc(N(C)C)nc3F)c2OC1,NWQJGWFNJLWMIK-UHFFFAOYSA-N
-rxn:5:178556:223141:225603,N#CC1(c2cccc(-c3ccc(-c4cncc(C5CCNCC5)c4)c(COc4ccc5c(c4)C(=O)CCC5)c3)c2F)CCC1,ATFONXCAYXVFCP-UHFFFAOYSA-N
-rxn:5:179418:225805:225884,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(C3COCCO3)c(F)c2)s1)N1CCOCC1,BAEPVDZOQAUUFU-UHFFFAOYSA-N
-rxn:5:179418:225805:226661,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2cc(N3CCN(C)CC3)cs2)s1)N1CCOCC1,BMBWIQHVFOENQO-UHFFFAOYSA-N
-rxn:5:179418:225884:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(C3COCCO3)c(F)c2)s1)N1CCOCC1,IUJPDOXIRWIQMP-UHFFFAOYSA-N
-rxn:5:180021:225985:227449,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1ccc(C2CCOCC2)s1,SEYVMMUIUNHFFN-UHFFFAOYSA-N
-rxn:5:180022:225985:222956,COc1c(-c2ccc(C)cc2C2CCCNC2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,AYMYRXOOUAOFPP-UHFFFAOYSA-N
-rxn:5:180022:225986:225805,COc1c(-c2ccc(C(C)N3CCOCC3)s2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,YNUDFJXGZZOVKG-UHFFFAOYSA-N
-rxn:5:180022:227449:225986,COc1c(-c2ccccc2N2CCCS2(=O)=O)ccc(-c2ccc(C3CCOCC3)s2)c1C1OCCO1,UZLHLAFGYXQYKY-UHFFFAOYSA-N
-rxn:5:180092:225811:225985,C[Si](C)(C)C#Cc1cc(-c2ccc(C3(C(F)(F)F)CC3)cc2)cc(-c2cccc(N3CCCS3(=O)=O)c2)c1,JWPIYKMCPGCZKF-UHFFFAOYSA-N
-rxn:5:180267:225924:225824,CSc1cc(C(C)(C)C)cc(-c2ccc(S(=O)(=O)N(C)C)cc2C)c1-c1cc(C2CC2)cc(C(F)(F)F)c1,YCQDNSUQPZGBMT-UHFFFAOYSA-N
-rxn:5:180402:225407:227018,CC(C)(C#N)c1ccc(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2C(=O)C2CCCCC2)cc1,KRTRAOGQNKHQGH-UHFFFAOYSA-N
-rxn:5:180402:225498:226144,C[Si](C)(C)C#Cc1ccc(-c2cc(-c3cc(C4CCCCC4)ccc3F)ccc2C(=O)C2CCCCC2)cc1,YPFSEOZEIREWMO-UHFFFAOYSA-N
-rxn:5:180613:223054:222996,COC(=O)c1cc2cc(-c3ccc(F)cc3C3CCCNC3)cc(-c3ccc(C(C)N4CCC(O)C4)s3)c2oc1=O,RQJOUKHUIJZCER-UHFFFAOYSA-N
-rxn:5:180662:226661:226744,CCc1cc(-c2cc3c(c(-c4cc(N5CCN(C)CC5)cs4)c2)OCC(C(=O)OC)=C3)cnc1C(F)(F)F,QLJRWXYTXQIACT-UHFFFAOYSA-N
-rxn:5:180662:226747:226794,CCc1ncc(-c2cc(-c3cnc(N4CCSCC4)nc3)cc3c2OCC(C(=O)OC)=C3)cc1C(F)(F)F,NPDMHHLRTBNFSV-UHFFFAOYSA-N
-rxn:5:180662:226794:226747,CCc1ncc(-c2cc3c(c(-c4cnc(N5CCSCC5)nc4)c2)OCC(C(=O)OC)=C3)cc1C(F)(F)F,DVGWJWLTZXCSAN-UHFFFAOYSA-N
-rxn:5:181628:223054:225986,CC(c1ccc(-c2ccc(-c3ccccc3N3CCCS3(=O)=O)c(C3OCCO3)c2)s1)N1CCC(O)C1,YVNSJRRIISAFNO-UHFFFAOYSA-N
-rxn:5:181628:225805:225986,CC(c1ccc(-c2ccc(-c3ccccc3N3CCCS3(=O)=O)c(C3OCCO3)c2)s1)N1CCOCC1,RPBDLNLXTLQPDJ-UHFFFAOYSA-N
-rxn:5:181904:222956:225607,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C(C)N3CCCCC3)s2)c(C2CCCNC2)c1,MPKRSRKNGPPPFM-UHFFFAOYSA-N
-rxn:5:181904:222957:225683,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C3CCCOC3)nc2C)cc(C2CCCNC2)c1,NRCUWYOPKHKXHI-UHFFFAOYSA-N
-rxn:5:181904:222986:222960,Cc1cc(-c2c(-c3cc(C)nc(C4CCCNC4)c3)ccc(C3OCCO3)c2C)cc(C2CCNCC2)c1,WJATTXUGBLCVMW-UHFFFAOYSA-N
-rxn:5:181904:225832:223132,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cccc(N2CCNCC2)c1,ONYQFFHRJUECMS-UHFFFAOYSA-N
-rxn:5:181905:225636:225986,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccnc(N2CCC(C)CC2)c1,JJBBFLQUOPJFKZ-UHFFFAOYSA-N
-rxn:5:181905:225805:225986,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(C(C)N2CCOCC2)s1,MXEHHIOKFHDTTN-UHFFFAOYSA-N
-rxn:5:181905:226330:225986,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(C(C)N2CCCC2)s1,JDTDPKQILDYYMJ-UHFFFAOYSA-N
-rxn:5:181905:226427:225986,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1cc(N2CCC(C)CC2)cs1,OIEFRRKEXWMBDC-UHFFFAOYSA-N
-rxn:5:181905:226428:225986,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1cc(N2CCCCC2C)cs1,FDAIVSZFNJRPFI-UHFFFAOYSA-N
-rxn:5:181905:226661:225926,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(C2OCCO2)c1-c1cc(N2CCN(C)CC2)cs1,XPBLAHMLTPKWME-UHFFFAOYSA-N
-rxn:5:181906:225986:225805,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(C(C)N2CCOCC2)s1,MXEHHIOKFHDTTN-UHFFFAOYSA-N
-rxn:5:181906:225986:226425,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)s1,JXRXNODFRVBOAU-UHFFFAOYSA-N
-rxn:5:181907:225407:225394,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2cc(C3CCC3)cc(C3CC3)c2)c(C2OCCO2)c1,MZBZXUZOFHDLOT-UHFFFAOYSA-N
-rxn:5:181907:225607:226064,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccc(C3CCCCC3)cc2)c(C2OCCO2)c1,CDDUSGDPTDDRKS-UHFFFAOYSA-N
-rxn:5:181907:226185:225607,Cc1cc(-c2ccc(C3CCOCC3)cc2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,ICQCZTGZTWWAEY-UHFFFAOYSA-N
-rxn:5:181908:225598:226686,Cc1cc(-c2cccc(CN3CCSCC3)c2)c(-c2c(C)cnn2C2CCCCO2)cc1C1OCCO1,AARFFHURVVCSAP-UHFFFAOYSA-N
-rxn:5:181908:225831:222987,Cc1cc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2ccc(C3CCNCC3)nc2C)cc1C1OCCO1,UQYGLFVWEWAJPQ-UHFFFAOYSA-N
-rxn:5:181908:226571:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cnn(CC3CCOCC3)c2)cc(C2CCNCC2)c1,ADOWIQZCXDUSDT-UHFFFAOYSA-N
-rxn:5:182009:225832:226186,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccccc2C2CCOCC2)cc1C1CCOCC1,LKLJYHALWGCWNX-UHFFFAOYSA-N
-rxn:5:182009:225986:226662,CN1CCN(c2ccc(-c3ccc(-c4ccccc4N4CCCS4(=O)=O)c(C4CCOCC4)c3)s2)CC1,NXNZXGUAXBYCTO-UHFFFAOYSA-N
-rxn:5:182011:222957:225684,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2ccc(C3CCOCC3)nc2C)cc(C2CCCNC2)c1,DNQBEXJFLRAFSQ-UHFFFAOYSA-N
-rxn:5:182011:226686:225661,Cc1cc(N2CCOCC2)ccc1-c1cc(C2CCOCC2)ccc1-c1c(C)cnn1C1CCCCO1,VAKMBRNFGSINQB-UHFFFAOYSA-N
-rxn:5:182012:226686:222957,Cc1cc(-c2ccc(-c3c(C)cnn3C3CCCCO3)cc2C2CCCOC2)cc(C2CCCNC2)c1,SJHBAMXSYRJSLJ-UHFFFAOYSA-N
-rxn:5:183229:225928:225815,Cc1ccc(-c2cc(-c3ccc(C4CC4)cc3C(F)(F)F)c3c(c2)C(C)(C)CCS3)cc1S(=O)(=O)N(C)C,ZNKKSSJQJYKDJL-UHFFFAOYSA-N
-rxn:5:188448:223006:223065,COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)c([N+](=O)[O-])cc1-c1ccc(F)c(C2CCNCC2)c1,XEVBEMVWONWJSM-UHFFFAOYSA-N
-rxn:5:188460:223138:223007,COC(=O)c1cc([N+](=O)[O-])c(-c2cc(F)cc(C3CCNCC3)c2)cc1-c1ccnc(C2CCNCC2)c1,RDTDSXCUPUEGPO-UHFFFAOYSA-N
-rxn:5:188725:225805:225926,CC(c1ccc(-c2cnc(OCC3CC3)c(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2)s1)N1CCOCC1,FXDWEVXVHVQVEE-UHFFFAOYSA-N
-rxn:5:188787:223062:226432,O=[N+]([O-])c1cc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(C3CCCC3)nc2F)cc1OC1CC1,FOPCTIRCHLWDND-UHFFFAOYSA-N
-rxn:5:188787:225602:226321,N#CC1(c2ccc(F)c(-c3cc([N+](=O)[O-])c(OC4CC4)cc3-c3ccc(SC4CCCC4)nc3)c2)CCC1,WYEXYXCGMAEWLY-UHFFFAOYSA-N
-rxn:5:188787:225872:226663,O=[N+]([O-])c1cc(-c2cc(F)c(F)c(N3CCCC3)c2)c(-c2ccc(N3CCSCC3)nc2)cc1OC1CC1,RKTXQKNQNHHAPM-UHFFFAOYSA-N
-rxn:5:188787:225881:226431,O=[N+]([O-])c1cc(-c2ccc(C3CCOCC3)nc2F)c(-c2ccc(N3CCCC3)c(F)c2)cc1OC1CC1,GYJPZPNIXHVPJY-UHFFFAOYSA-N
-rxn:5:188787:226321:225601,N#CC1(c2ccc(-c3cc(OC4CC4)c([N+](=O)[O-])cc3-c3ccc(SC4CCCC4)nc3)c(F)c2)CCC1,VSKWKUCDVPQFKJ-UHFFFAOYSA-N
-rxn:5:188787:226663:225595,O=[N+]([O-])c1cc(-c2ccc(N3CCSCC3)nc2)c(-c2ccc(F)c(CN3CCCC3)c2)cc1OC1CC1,SVHGYYLHTSDFAQ-UHFFFAOYSA-N
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-rxn:5:188872:225452:223058,CON(C)C(=O)c1cc(-c2ccc(OC3C=CCCC3)cc2)ccc1-c1cc(F)nc(C2CCCNC2)c1,KZZOUFOLAAPWGA-UHFFFAOYSA-N
-rxn:5:188872:226583:223063,CON(C)C(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ccc1-c1cc(F)nc(C2CCNCC2)c1,YORPEDPTOZSCNL-UHFFFAOYSA-N
-rxn:5:188932:223139:223139,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)c1,FDKSWVYNGCEGPX-UHFFFAOYSA-N
-rxn:5:189000:225437:226735,CC(C)Oc1cc(-c2cccc(CN3CCCCC3)c2)c(-c2cc(C#N)cc(C(F)(F)F)c2)cc1[N+](=O)[O-],ICNYKXPHAPCKPJ-UHFFFAOYSA-N
-rxn:5:189000:225601:226663,CC(C)Oc1cc(-c2ccc(C3(C#N)CCC3)cc2F)c(-c2ccc(N3CCSCC3)nc2)cc1[N+](=O)[O-],XBLXXAGZDGAKJJ-UHFFFAOYSA-N
-rxn:5:189000:226329:222986,Cc1cc(-c2cc([N+](=O)[O-])c(OC(C)C)cc2-c2ccc(C3(C#N)CC3)c(F)c2)cc(C2CCCNC2)n1,QPIFBPHFLAYIHS-UHFFFAOYSA-N
-rxn:5:189000:226329:222988,Cc1cc(-c2cc([N+](=O)[O-])c(OC(C)C)cc2-c2ccc(C3(C#N)CC3)c(F)c2)cc(C2CCNCC2)n1,INLQONCUGIKZEZ-UHFFFAOYSA-N
-rxn:5:189079:225868:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCOCC3)c(F)c2)c1,GRBKNZKRDSAPEI-UHFFFAOYSA-N
-rxn:5:189080:226662:223063,CN1CCN(c2ccc(-c3ccc(CC(=O)N(C)C)c(-c4cc(F)nc(C5CCNCC5)c4)c3)s2)CC1,AWXXXBCROYJQGW-UHFFFAOYSA-N
-rxn:5:189207:225601:223112,CC(C)c1ccc2[nH]ncc2c1-c1ccc(-c2ccc(C3(C#N)CCC3)cc2F)cc1C(=O)ON1C(=O)CCC1=O,QGPJBGAJKGBTDN-UHFFFAOYSA-N
-rxn:5:189208:225462:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc(-c2cccc(N3CCC(C)CC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,RYPXITAXXMTOOM-UHFFFAOYSA-N
-rxn:5:189209:225602:228584,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccnc(C5CC5)c4)c3)c2)CCC1,VGLCEMURXVRTEM-UHFFFAOYSA-N
-rxn:5:189209:226320:227413,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cnc(C5CCC5)cc4F)c3)c2)CC1,KZGUBCNJAKAVSL-UHFFFAOYSA-N
-rxn:5:189209:227316:226412,CC(C)Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(F)cc(N4CCCC4)c3)c2)cc(F)n1,KNHAIQNYZXDDJA-UHFFFAOYSA-N
-rxn:5:189212:227278:227413,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cnc(C4CCC4)cc3F)cn2)CC1,PSLJBTSXYBJHMI-UHFFFAOYSA-N
-rxn:5:189212:227416:227278,N#CC1(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cc(F)nc(C4CCC4)c3)cn2)CC1,MASWBLVUUWLCDS-UHFFFAOYSA-N
-rxn:5:189322:226845:225439,COc1ncc(C(F)(F)F)cc1-c1cnc(-c2cccc(C(C)N3CCCC3)c2)c(C(=O)OC(C)(C)C)c1,LXBBUADOLDLAIA-UHFFFAOYSA-N
-rxn:5:189336:226054:226197,CN(C(=O)c1ccc(-c2cnc(C(F)(F)C(F)(F)F)nc2)c(-c2ccc(C3CCCOC3)cc2)c1)C1CC1,FVKHPZGWJDBKJK-UHFFFAOYSA-N
-rxn:5:189448:226971:225587,COC1CN(C(=O)c2ccc(-c3ccc4c(c3)CCCOC4)c(-c3cccc(CN4CCOCC4)c3)c2)C1,BVJSXYODMRSVMZ-UHFFFAOYSA-N
-rxn:5:189539:222405:223004,CC(C)N(C)C(=O)c1cccc(-c2cccc(C3NC(=O)NC3=O)c2)c1-c1ccc(C2CCNCC2)c(F)c1,NNTBMMSFEIKWNV-UHFFFAOYSA-N
-rxn:5:189664:225407:227052,CC(C)(C)Sc1ccc(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2CC(=O)N2CCCC2)cc1,HJODOBRBCOYRCO-UHFFFAOYSA-N
-rxn:5:189665:225621:227710,Cc1cc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)ccc1OC1CCOC1,LYLBLFMXZAJJBF-UHFFFAOYSA-N
-rxn:5:189665:227710:225805,CC(c1ccc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)s1)N1CCOCC1,RMBLOMREKVTNOR-UHFFFAOYSA-N
-rxn:5:189668:225884:226664,O=C(Cc1ccc(-c2cc(N3CCCC3)ncc2F)cc1-c1ccc(C2COCCO2)c(F)c1)N1CCCC1,NMZJTPNXFMJRTC-UHFFFAOYSA-N
-rxn:5:189674:225815:226047,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(OC(F)(F)F)c(F)c2F)cc1-c1ccc(C2CC2)cc1C(F)(F)F,FJLUGMVWEJCZSC-JAVCYFNSSA-N
-rxn:5:189718:223427:223007,O=[N+]([O-])c1cc(-c2cc(F)cc(C3CCNCC3)c2)c(-c2ccccc2/C=N/O)cc1OC1CCOCC1,CYSKNLAKWSKXCO-KCSSXMTESA-N
-rxn:5:189718:226643:223000,O=[N+]([O-])c1cc(-c2ccc(C3CCCNC3)c(F)c2)c(-c2ccc(N3CCOCC3)nc2)cc1OC1CCOCC1,UXCOHHNEZRLKNJ-UHFFFAOYSA-N
-rxn:5:189829:226028:227103,COc1c(-c2ccc(C(F)(F)F)c(C#N)c2F)cc(C(=O)N2CCCC2)cc1-c1sccc1C1CCCCC1,LKTFGGPCJYCLRS-UHFFFAOYSA-N
-rxn:5:189908:225588:227780,O=[N+]([O-])c1ccc(F)c(-c2ncc(-c3ccccc3CN3CCSCC3)cc2OCC2CCCCC2)c1F,NSMDZESWFGNVPV-UHFFFAOYSA-N
-rxn:5:189908:225589:227783,O=[N+]([O-])c1cc(-c2ncc(-c3ccc(CN4CCSCC4)cc3)cc2OCC2CCCCC2)c(F)cc1F,SPVXDDWMYPDWIA-UHFFFAOYSA-N
-rxn:5:189908:225598:227780,O=[N+]([O-])c1ccc(F)c(-c2ncc(-c3cccc(CN4CCSCC4)c3)cc2OCC2CCCCC2)c1F,QLPBOHMDNKCBOU-UHFFFAOYSA-N
-rxn:5:189908:225598:227783,O=[N+]([O-])c1cc(-c2ncc(-c3cccc(CN4CCSCC4)c3)cc2OCC2CCCCC2)c(F)cc1F,RAJSVJCFRXPVLT-UHFFFAOYSA-N
-rxn:5:189908:227507:222988,Cc1cc(-c2ncc(-c3cccc(C=C[N+](=O)[O-])c3)cc2OCC2CCCCC2)cc(C2CCNCC2)n1,FMZUSFLZPKIICT-UHFFFAOYSA-N
-rxn:5:189908:227780:225588,O=[N+]([O-])c1ccc(F)c(-c2cnc(-c3ccccc3CN3CCSCC3)c(OCC3CCCCC3)c2)c1F,UWFVUHMBGAXJQH-UHFFFAOYSA-N
-rxn:5:189908:227795:225589,O=[N+]([O-])c1c(F)ccc(-c2cnc(-c3ccc(CN4CCSCC4)cc3)c(OCC3CCCCC3)c2)c1F,LWGKDJQJHYGCDZ-UHFFFAOYSA-N
-rxn:5:189908:227795:225598,O=[N+]([O-])c1c(F)ccc(-c2cnc(-c3cccc(CN4CCSCC4)c3)c(OCC3CCCCC3)c2)c1F,ICPFGSPHPWYOCC-UHFFFAOYSA-N
-rxn:5:190127:225880:227969,COC1CCN(C(=O)c2cc(-c3cc(C4CCOCC4)ncc3F)ccc2-c2ccnc(C)c2C2CC2)CC1,OGVIXBDKYMUFIM-UHFFFAOYSA-N
-rxn:5:190128:226036:228112,COc1ccc(C#N)cc1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1cc(C(F)(F)F)cc(F)c1OC,CLFSRRWPOABSRS-UHFFFAOYSA-N
-rxn:5:190131:223007:228220,COc1c(-c2cc(F)cc(C3CCNCC3)c2)cc(C(=O)N2CCCCC2)cc1-c1cc(C(C)C)ncc1F,LXDRHUPJXMWRFS-UHFFFAOYSA-N
-rxn:5:190132:223054:227696,COC(=O)c1ccc(-c2cc(-c3ccc(C(C)N4CCC(O)C4)s3)ccc2C(=O)N2CCC(OC)CC2)c(F)n1,VKTXSXBLCPRANN-UHFFFAOYSA-N
-rxn:5:190132:228517:225451,CC#Cc1ccccc1-c1ccc(C(=O)N2CCC(OC)CC2)c(-c2ccc(SC3CCCCC3)cc2)c1,BCGHCZYUWNSBKJ-UHFFFAOYSA-N
-rxn:5:190194:225639:227501,COC1CCN(Cc2cccc(-c3cccnc3N3CCC(C)CC3)c2-c2ccc(C=C[N+](=O)[O-])cc2)CC1,XOSHPSORHBUHIN-UHFFFAOYSA-N
-rxn:5:190194:225805:223111,COC1CCN(Cc2cccc(-c3ccc(C(C)N4CCOCC4)s3)c2-c2cccc3[nH]nc(C(C)C)c23)CC1,LSHSLFQQKSKORE-UHFFFAOYSA-N
-rxn:5:190194:227505:226679,COC1CCN(Cc2cccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2-c2cnc(N3CCCC3)cc2F)CC1,HQFNYOQEWHTPGF-WOJGMQOQSA-N
-rxn:5:190195:223006:223113,CN(Cc1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,XTTDRVAQPMGCTH-UHFFFAOYSA-N
-rxn:5:190195:225982:227960,CN(Cc1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccncc2C2CCC2)c1)C1CCOCC1,VTXNSWXBWBBBRK-UHFFFAOYSA-N
-rxn:5:190197:225978:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(N3CCOCC3)nc2F)c1,OPQKHEDCWZDIHY-UHFFFAOYSA-N
-rxn:5:190197:228131:226330,CC(c1ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(F)cc(CC#N)c3)c2)s1)N1CCCC1,WEYZXJMANAFRPY-UHFFFAOYSA-N
-rxn:5:190264:225450:225886,CC1CCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3ccc(C(=O)C4CCCC4)cc3)c2)CC1,OHWJBDAVXFUABX-UHFFFAOYSA-N
-rxn:5:190265:225394:228292,CC1CCCN(C(=O)Cc2ccc(-c3ccnc4c3OCCO4)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)C1,PLAMVDBLTVBRDR-UHFFFAOYSA-N
-rxn:5:190265:225886:226328,CC1CCCN(C(=O)Cc2ccc(-c3ccc(C(C)(C)C#N)c(F)c3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,QYRQNRXKXRPEMP-UHFFFAOYSA-N
-rxn:5:190308:227045:227768,CC1CCCN(CCc2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2cccn2S(=O)(=O)N(C)C)C1,VVASYOCCOWIHKS-UHFFFAOYSA-N
-rxn:5:190309:225886:225625,CC1CCCCN1CCc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)ccc1-c1cc(OC2CCCC2)ccc1F,KDXALMHWZJMPHM-UHFFFAOYSA-N
-rxn:5:190309:227199:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(-c2ccc3c(c2)N(C)C(=O)C3)cc1CCN1CCCCC1C,UHMGWIZXVJATII-UHFFFAOYSA-N
-rxn:5:190335:227802:226583,COc1c(-c2ccc(CN3CCOCC3)s2)cc(C(=O)N2CCCCC2C)cc1-c1c(F)c(F)c(F)c(F)c1F,HMSDRXDREIRYII-UHFFFAOYSA-N
-rxn:5:190335:228377:226415,COc1c(-c2cc(C)cc([N+](=O)[O-])c2)cc(C(=O)N2CCCCC2C)cc1-c1ccccc1N1CCOCC1,ROEMWHFBDRASMP-UHFFFAOYSA-N
-rxn:5:190336:226142:223283,CNc1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cccc(OC4CCCC4)c3)c2OC)cc1[N+](=O)[O-],BKIJSEWUSDAKED-UHFFFAOYSA-N
-rxn:5:190336:227667:223015,COC(=O)c1ccc2[nH]c(-c3cc(C(=O)N4CCCC(C)C4)cc(-c4c(F)ccc(C(C)=O)c4F)c3OC)cc2c1,PHPGFYDCJYSGPO-UHFFFAOYSA-N
-rxn:5:190337:225588:228511,COc1c(-c2ccc(C3CC3)cc2)cc(C(=O)N2CCC(C)CC2)cc1-c1ccccc1CN1CCSCC1,WSQHHWFXXYVWJR-UHFFFAOYSA-N
-rxn:5:190337:225611:227026,COc1cc(N2CCCC2)ccc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2ccc(C#N)c(C3CC3)c2)c1OC,XORBYWXGJOERAL-UHFFFAOYSA-N
-rxn:5:190418:225706:226662,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1N1C(=O)CC(Cc2ccc(-c3cc4ncn(C(C)C)c4cc3F)cc2)C1=O,OJYYSRHMXCWDQU-UHFFFAOYSA-N
-rxn:5:190418:226662:228222,Cc1cc(-c2cc(F)nc(C(C)C)c2)ccc1N1C(=O)CC(Cc2ccc(-c3ccc(N4CCN(C)CC4)s3)cc2)C1=O,IYSVZLZQXLOXHD-UHFFFAOYSA-N
-rxn:5:190418:227957:226662,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1N1C(=O)CC(Cc2ccc(-c3ccc(C(C)C)nc3C)cc2)C1=O,WVYGZPAYHIVFRE-UHFFFAOYSA-N
-rxn:5:190418:228219:226662,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1N1C(=O)CC(Cc2ccc(-c3cnc(C(C)C)cc3F)cc2)C1=O,GOIOBGKECJDXPT-UHFFFAOYSA-N
-rxn:5:190484:226645:223312,O=C(c1cccc(-c2ccnc(N3CCOCC3)c2)c1)N1CCC(c2ccccc2-c2ccc(C3CNC3)cc2)S(=O)(=O)CC1,YQPYGOVDOWHEKR-UHFFFAOYSA-N
-rxn:5:190484:227052:225601,CC(C)(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5(C#N)CCC5)cc4F)S(=O)(=O)CC3)c2)cc1,WKXQJCLTNCRFIV-UHFFFAOYSA-N
-rxn:5:190484:227412:226710,CC(C)(C)c1cc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(F)c([Si](C)(C)C)c4F)S(=O)(=O)CC3)c2)cn1,LGMAYYAVVZDQJH-UHFFFAOYSA-N
-rxn:5:190484:227449:226649,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2cccnc2N2CCOCC2)S(=O)(=O)CC1,ANYWOFGNCQXIRP-UHFFFAOYSA-N
-rxn:5:190484:228868:223240,COC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCNC5)nc4)S(=O)(=O)CC3)c2)s1,RHQWTQVQYBVIMM-UHFFFAOYSA-N
-rxn:5:190484:228895:223146,O=C(c1cccc(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2cccc(C3CNCCO3)c2)S(=O)(=O)CC1,QNSGOEACIDVHHI-UHFFFAOYSA-N
-rxn:5:190484:228965:225831,Cc1cc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc([N+](=O)[O-])nc4)c3)CCS2(=O)=O)cnc1N1CCOCC1,WFLMEHWILSBRSP-UHFFFAOYSA-N
-rxn:5:190712:223056:223004,CCOC(=O)c1c(-c2ccc(N3CCC(O)CC3)nc2)c2cc(-c3ccc(C4CCNCC4)c(F)c3)ccc2n1C,KMEKRWQYTIGBEY-UHFFFAOYSA-N
-rxn:5:190741:223062:225834,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,JAWJWXOVYLLDFL-UHFFFAOYSA-N
-rxn:5:190742:225803:225655,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(OC4CCOCC4)c3)c2c1-c1cncc(N2CCC(C)CC2)c1,MYPBTNGKDDHIEX-UHFFFAOYSA-N
-rxn:5:190742:225833:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1ccc(C2CCNCC2)nc1F,FZXXMFPHDMNVGM-UHFFFAOYSA-N
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-rxn:5:190742:226661:223065,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCN(C)CC4)cs3)c2c1-c1ccc(N2CCNCC2)cc1F,QMSNFXDXWRITSC-UHFFFAOYSA-N
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-rxn:5:196793:225926:223002,O=C1COCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2ccc(C3CCNCC3)cc2F)c1,YWQZXMNBLZKTBY-UHFFFAOYSA-N
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-rxn:5:196873:227803:225805,CC(c1ccc(-c2cc(N3CCOCC3)ccc2-c2ccnn2S(=O)(=O)N(C)C)s1)N1CCOCC1,ROXFTYFAGHRVHG-UHFFFAOYSA-N
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-rxn:5:197876:223230:226768,CSc1ccc(-c2cc3c(cc2-c2ccc(NC(C)=O)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,XEPBFSYIIMSWFI-UHFFFAOYSA-N
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-rxn:5:197876:225498:226461,CC(=O)n1ccc2c(-c3cc4c(cc3-c3cc(C5CCCCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cncc21,YBWNPKHVKGZTEB-UHFFFAOYSA-N
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-rxn:5:197876:225498:228930,CSc1c(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccnc1F,ZBEIBLXQDSIJJT-UHFFFAOYSA-N
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-rxn:5:197876:225591:227904,CCN(C)c1ccc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,APWJDEBGYDHUIP-UHFFFAOYSA-N
-rxn:5:197876:225591:227917,CCc1ccc(OC)c(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KFJNWJOVEGLTPV-UHFFFAOYSA-N
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-rxn:5:197876:225602:227117,Cc1cc(C2CC2)cc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1F,HYQFFOXLMNHDHD-UHFFFAOYSA-N
-rxn:5:197876:225603:227957,Cc1nc(C(C)C)ccc1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,LCZZLQPXXBDDQK-UHFFFAOYSA-N
-rxn:5:197876:225603:228505,CCCc1ccc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,WZQPCZMLYORXTG-UHFFFAOYSA-N
-rxn:5:197876:225625:228517,CC#Cc1ccccc1-c1cc2c(cc1-c1cc(OC3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YKORYZQJQMLGKK-UHFFFAOYSA-N
-rxn:5:197876:225639:228344,CC1CCN(c2ncccc2-c2cc3c(cc2-c2ccc(SC(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)CC1,CTRKRZFAXZZDAC-UHFFFAOYSA-N
-rxn:5:197876:225671:228176,COCc1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,FLVURSPYOCAAPZ-UHFFFAOYSA-N
-rxn:5:197876:225671:228625,CCc1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,SRROBQBUIAYXAO-UHFFFAOYSA-N
-rxn:5:197876:225674:227999,CC(C)c1ccc(-c2cc3c(cc2-c2cnc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,LIHSMSRIHUKXAZ-UHFFFAOYSA-N
-rxn:5:197876:225679:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccc(N3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GEMQDMUSFBEZDD-UHFFFAOYSA-N
-rxn:5:197876:225679:227817,CC(C)Cc1ccccc1-c1cc2c(cc1-c1ccc(N3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XQVHJCVUHNGGBT-UHFFFAOYSA-N
-rxn:5:197876:225706:225946,CC(=O)c1cc(-c2cc3c(cc2-c2cc4ncn(C(C)C)c4cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,DCAOMPNFCKMTIL-UHFFFAOYSA-N
-rxn:5:197876:225815:226921,Cc1cc(C)c(C2CC2)cc1-c1cc2c(cc1-c1ccc(C3CC3)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,QGMJOFPRNIAWMW-UHFFFAOYSA-N
-rxn:5:197876:225815:228567,CCC(C)c1sccc1-c1cc2c(cc1-c1ccc(C3CC3)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,XTOUSVANQDCSJO-UHFFFAOYSA-N
-rxn:5:197876:225816:228582,CC(C)c1ccncc1-c1cc2c(cc1-c1cc(C3CC3)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,DFRKFIBLHYXMEQ-UHFFFAOYSA-N
-rxn:5:197876:225936:229011,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C3CC3)s1)C(=O)N(C(C)(C)C)S2(=O)=O,PLBXXVYQCFQDGU-UHFFFAOYSA-N
-rxn:5:197876:225946:228791,CSc1ccc(-c2cc3c(cc2-c2cc(C(C)=O)cc(C(F)(F)F)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,DAYLGBRGHVUREP-UHFFFAOYSA-N
-rxn:5:197876:226031:227294,Cc1cnc(OC(C)C)c(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UJPSLDJJXZBCME-UHFFFAOYSA-N
-rxn:5:197876:226031:227950,Cc1ccc(N(C)C)cc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,KIMVOAQGGLLPMJ-UHFFFAOYSA-N
-rxn:5:197876:226031:228107,CCC(C)c1ncncc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,SHOQHPUQMTZCJR-UHFFFAOYSA-N
-rxn:5:197876:226059:228189,CCSc1ccc(F)c(-c2cc3c(cc2-c2ccc(C(C)C)cc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NOPIOMFDCLRXGQ-UHFFFAOYSA-N
-rxn:5:197876:226068:227907,CCC(C)c1cncc(-c2cc3c(cc2-c2c(C)cc(C(C)(C)C)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DUQJKKYCJGZCCG-UHFFFAOYSA-N
-rxn:5:197876:226085:228141,CCCc1cc(F)c(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,VSTBSCJANFJSHZ-UHFFFAOYSA-N
-rxn:5:197876:226085:228396,COc1cc(F)c(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,TVPGRSSXADQLGA-UHFFFAOYSA-N
-rxn:5:197876:226188:227120,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccc(C3CCC3)cc1F)C(=O)N(C(C)(C)C)S2(=O)=O,XJALRMBOKJECLD-UHFFFAOYSA-N
-rxn:5:197876:226190:226341,COc1cc(F)c(C(C)C)cc1-c1cc2c(cc1-c1ccc(C3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,AARJBSYMLVNJAQ-UHFFFAOYSA-N
-rxn:5:197876:226190:226745,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XSKGUJACJKIAHD-UHFFFAOYSA-N
-rxn:5:197876:226326:225438,CC(c1ccc(-c2cc3c(cc2-c2cccc(C4(C#N)CC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N1CCCC1,AZXATDISGUYZEY-UHFFFAOYSA-N
-rxn:5:197876:226326:225462,CC1CCN(c2cccc(-c3cc4c(cc3-c3cccc(C5(C#N)CC5)c3F)S(=O)(=O)N(C(C)(C)C)C4=O)c2)CC1,OTRXMRBZSSXLMM-UHFFFAOYSA-N
-rxn:5:197876:226331:226745,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C3(C#N)CC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,IITWFRPYKHFAPM-UHFFFAOYSA-N
-rxn:5:197876:226331:228235,CC(C)c1c(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccnc1F,PWNMMYOYHVYPHY-UHFFFAOYSA-N
-rxn:5:197876:226346:228018,Cc1cc(OC(C)C)c(F)c(-c2cc3c(cc2-c2cc(F)cc(C4CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SLLSSZDKTIMURG-UHFFFAOYSA-N
-rxn:5:197876:226346:228383,Cc1cc(OC(C)C)c(F)c(-c2cc3c(cc2-c2cnc(C(F)F)c(C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,LWRWJZIVRUECAS-UHFFFAOYSA-N
-rxn:5:197876:226580:227832,Cc1cc(C2CC2)ccc1-c1cc2c(cc1-c1cc(C(=O)N(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,BEVWRAVPLLDVIM-UHFFFAOYSA-N
-rxn:5:197876:226589:227913,CC(C)Oc1ccc(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,QPXBLQXQBKWBCP-UHFFFAOYSA-N
-rxn:5:197876:226589:227996,CC(=O)c1ccc(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,UFILBWLKWWYDQC-UHFFFAOYSA-N
-rxn:5:197876:226594:227838,Cc1ccc(C2CC2)c(-c2cc3c(cc2-c2c(F)cc(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QGRSGVGPVYYJOH-UHFFFAOYSA-N
-rxn:5:197876:226709:227808,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1ccc3c(c1)CCCC3)C(=O)N(C(C)(C)C)S2(=O)=O,UOHBNQOWQDLBOG-UHFFFAOYSA-N
-rxn:5:197876:226762:228192,CSc1cc(-c2cc3c(cc2-c2ccc(N(C)C)nc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,KYAIIFFDWZQEBD-UHFFFAOYSA-N
-rxn:5:197876:226762:228274,CSc1cc(-c2cc3c(cc2-c2cc(SC)c(C)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,UYQGZLRSSURIEY-UHFFFAOYSA-N
-rxn:5:197876:226768:225453,CSc1ccc(-c2cc3c(cc2-c2cccc(SC4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,GALUBBQWPOJKJW-UHFFFAOYSA-N
-rxn:5:197876:226768:227828,CSc1ccc(-c2cc3c(cc2-c2cccc(C4CC4)c2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,VMAQIZDJWJABRE-UHFFFAOYSA-N
-rxn:5:197876:226768:228562,CCC(C)c1csc(-c2cc3c(cc2-c2ccc(SC)c(C(F)(F)F)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DPAIVUQROYZDSZ-UHFFFAOYSA-N
-rxn:5:197876:226849:227910,CCC(C)c1ccc(-c2cc3c(cc2-c2ccnc(OC)c2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,LHEQYLQYCKENHY-UHFFFAOYSA-N
-rxn:5:197876:226862:227963,CC(C)(C)c1cc(-c2cc3c(cc2-c2cccc(OC(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,WCMQSYKZFRFJIQ-UHFFFAOYSA-N
-rxn:5:197876:226875:228107,CCC(C)c1ncncc1-c1cc2c(cc1-c1cc(F)c(OC(F)F)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YRXRMGPTBZYTOR-UHFFFAOYSA-N
-rxn:5:197876:226895:223421,CNC(C)c1ccc(-c2cc3c(cc2-c2cc(F)c(C(F)(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1,AIODJZPHAQOWFT-UHFFFAOYSA-N
-rxn:5:197876:226907:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cccc3c1CCC31CC1)S(=O)(=O)N(C(C)(C)C)C2=O,BHDHMXLIYQDYFM-UHFFFAOYSA-N
-rxn:5:197876:226910:225811,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,DWPIUWLKPZBEBK-UHFFFAOYSA-N
-rxn:5:197876:226910:227764,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(F)c(C(F)F)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,QZMQBCKDYJWZRZ-UHFFFAOYSA-N
-rxn:5:197876:226917:225499,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,YPUZSHMSQTZUGA-UHFFFAOYSA-N
-rxn:5:197876:226919:226762,CSc1cc(-c2cc3c(cc2-c2cccc(C4CCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,NLFNMFRVBQPSMG-UHFFFAOYSA-N
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-rxn:4:175645:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(C(=O)CCc4ccc(Cl)cc4)cc3F)c2)CC1,FZCWHRIVWPWXNO-UHFFFAOYSA-N
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-rxn:4:176295:224289,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccccc2C=C2Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c(F)c1,VRLPDIXNFCJYMS-UHFFFAOYSA-N
-rxn:4:176322:224752,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(S(=O)(=O)N3CCCC3)cc2C)C(C)(C)CC1(CC)CC,LOHGUFRPWXDGPR-UHFFFAOYSA-N
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-rxn:4:176696:222519,CSc1cc(-c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc(C(=O)C(F)F)c1F,ISXCTLHQIHYQLM-UHFFFAOYSA-N
-rxn:4:176909:223699,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1OCC(F)(F)F,JYOHITMYCIWNJA-UHFFFAOYSA-N
-rxn:4:177214:223696,CCS(=O)(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c(F)c1,UNFCFAVIWSBZJY-UHFFFAOYSA-N
-rxn:4:177435:223559,COc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1OC(C)C,CYSPHDNOAFIXTN-UHFFFAOYSA-N
-rxn:4:177436:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(CC(=O)C(C)C)c3)cc21,YEBXTOOEKHMDAV-UHFFFAOYSA-N
-rxn:4:177671:223492,Cc1cc(-c2cc(Cl)cc(-c3ccc(OC(F)(F)F)cc3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RTZGEUZDWVTWCF-UHFFFAOYSA-N
-rxn:4:177891:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1Cl,SOCJEDVYSFDQPW-UHFFFAOYSA-N
-rxn:4:178039:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(=O)C(C)(C)C)c(C(F)(F)F)c3)cc2C)CC1,JECOGFDXTCDNCL-UHFFFAOYSA-N
-rxn:4:178200:223534,COC(=O)c1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1-c1cccc(C)c1,QIECEVBOPDBIRT-UHFFFAOYSA-N
-rxn:4:178327:223567,COC(=O)C1(c2ccc(-c3cc4cc(OC(C)C)ccc4n3C(=O)OC(C)(C)C)cc2)CCCCC1,WTZVIIWLILZFJF-UHFFFAOYSA-N
-rxn:4:178327:224081,COC(=O)C1(c2ccc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)cc2)CCCCC1,BKFQWKBYISASJQ-UHFFFAOYSA-N
-rxn:4:178371:224834,COc1c(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)cc(C(C)(C)C)cc1C(C)(C)C,UTCMFGBQSWQDGZ-UHFFFAOYSA-N
-rxn:4:178381:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,FCFKHRWFNGDFGT-UHFFFAOYSA-N
-rxn:4:178382:223881,Cc1ccc2cc(-c3cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c3)n(C(=O)OC(C)(C)C)c2c1,LQEGXOZOGHMKGH-UHFFFAOYSA-N
-rxn:4:178384:225564,COC(=O)C(C)(C)c1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,QDOXUYZLDKKGIL-UHFFFAOYSA-N
-rxn:4:178384:227365,CCOc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C)c1F,UPFBROMUOQRPMO-UHFFFAOYSA-N
-rxn:4:178384:228638,Cc1cc(C)c(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,YIGMCUFUBKRKAR-UHFFFAOYSA-N
-rxn:4:178421:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(OCC(F)F)cc4ccccc34)cc(F)c2F)CC1,METSPJYXHIEGNG-UHFFFAOYSA-N
-rxn:4:178597:229221,Cc1cc(C)c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)s1,YLJACXOLMYKXFK-UHFFFAOYSA-N
-rxn:4:178744:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cc(F)cc(C(=O)C(F)F)c3)c2)CC1,JENWYADPZPIAPH-UHFFFAOYSA-N
-rxn:4:179070:223497,COc1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc(C(F)F)c1,LZEOANIVMKILFX-UHFFFAOYSA-N
-rxn:4:180373:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)s2)CC1,CNOCZIHUCYDVHL-UHFFFAOYSA-N
-rxn:4:180530:222602,CC(C)Cc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(S(=O)(=O)NC(C)(C)C)s1,SKJJYEFUYIPVLB-UHFFFAOYSA-N
-rxn:4:180701:223754,COC(=O)c1cc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)cc2c1OCCC2,CRZMYBHDYUBXPY-UHFFFAOYSA-N
-rxn:4:180943:223492,Cc1cc(-c2ccc(Cl)cc2C(F)F)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YQNWOSUFFICNJR-UHFFFAOYSA-N
-rxn:4:181000:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3c(F)ccc(C(F)F)c3F)cc2)CC1,DXIQMDWVZADJNV-UHFFFAOYSA-N
-rxn:4:181422:223497,CC(c1ccc(-c2cccc(Cl)c2C2CC2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,PEJVBWAEMVUXTP-UHFFFAOYSA-N
-rxn:4:182157:223521,COc1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc2c1OCC2=O,IERVFAMDKRKASZ-UHFFFAOYSA-N
-rxn:4:182374:224188,CC(=O)c1cc2c(cc1-c1ccc(C(=O)N(C(C)C)C(C)C)cc1Cl)C(C)(C)CCC2(C)C,KVEXITNUIBISDW-UHFFFAOYSA-N
-rxn:4:182376:225453,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cccc(SC5CCCCC5)c4)cc3C2=O)C[C@@H]1C,UQOMIMXPBDGFIF-BFVWLKTBSA-N
-rxn:4:182586:223480,Cc1cc(C)c(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c(F)c1,WTXHMANWWDDTOF-UHFFFAOYSA-N
-rxn:4:183272:222594,Cc1ccc(NS(=O)(=O)c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)c2)cc1,JXBKHMCCOBROQK-UHFFFAOYSA-N
-rxn:4:183272:223280,c1cc2c(cc1-c1cnc(C3CCNC3)nc1)OCCOCCOCCOCCOCCO2,DIJZHQKREPWZBP-UHFFFAOYSA-N
-rxn:4:183273:228407,COc1ccc(F)c(F)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WKSAIVMRPGDXKV-UHFFFAOYSA-N
-rxn:4:183274:227540,COc1c(F)cc(SC)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,WCUPIPFOTDAWMO-UHFFFAOYSA-N
-rxn:4:183381:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cccc4c3-c3ccccc3C43CCCCC3)c2)CC1,JSHPYTSDZYUDED-UHFFFAOYSA-N
-rxn:4:183447:223481,CC1(C)c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc2-c2c1ccc1ccccc21,KSGAQFLEMJVYAP-UHFFFAOYSA-N
-rxn:4:183563:223755,CCOC(=O)Cc1cc(C#N)cc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)c1OC,XNWCKYXBNNPISP-UHFFFAOYSA-N
-rxn:4:183646:222753,O=C(NCc1cccs1)c1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(F)(F)F)c2)c1,YUYDEZZCUJOPAB-UHFFFAOYSA-N
-rxn:4:183646:222774,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(F)c(CN3CCC(O)CC3)c2)cc1OCC(F)(F)F,NADXRMZNXJLVJE-UHFFFAOYSA-N
-rxn:4:183668:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1,ITIUIDPBRNOREY-UHFFFAOYSA-N
-rxn:4:183668:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc3)cn2)CC1,MCNLENYTNNJAGX-UHFFFAOYSA-N
-rxn:4:183693:226124,COCc1ccc(C2CC2)cc1-c1ccc(OC(F)(F)F)c(CN2CC(C(=O)OC)C2)c1,BTKYDKBTGBMJDZ-UHFFFAOYSA-N
-rxn:4:183708:224834,CCN(CC)Cc1cc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)ccc1C(=O)OC,FVNQSRGOLZOEBD-UHFFFAOYSA-N
-rxn:4:183724:222856,COc1ccc(C2CCNCC2)cc1-c1cc(OC(F)(F)F)ccc1OCCN1CCCC1,ZDZYHBUHUUMPHR-UHFFFAOYSA-N
-rxn:4:183763:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cc(F)ccc1N(OC(=O)OC(C)(C)C)C1CC1,WBVLQOZELRBDIQ-UHFFFAOYSA-N
-rxn:4:183772:224318,CN1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3OCC(=O)N3CCCC(F)(F)C3)cc2F)CC1,OOLLYQASOAGFGM-UHFFFAOYSA-N
-rxn:4:183787:223845,CCN(Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)ccc1Cl)C(=O)OC(C)(C)C,ZXMRNAVTEBQJGR-UHFFFAOYSA-N
-rxn:4:183794:224893,CCN(CC)C(C)(C(=O)OC)c1ccc(F)c(-c2cc(C(C)(C)C)nc(C(C)(C)C)c2)c1,QLDBFSRAFIKEOZ-UHFFFAOYSA-N
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-rxn:4:183824:222947,CC(C)(C)OC(=O)N(Cc1ccc(-c2cnc(N3CCCC(O)C3)nc2Cl)cc1Cl)C1CC1,AAHMGSBCMZLOME-UHFFFAOYSA-N
-rxn:4:183836:226884,CCN(C(=O)COc1ccc(-c2c(F)cc(C(F)(F)F)cc2F)cc1)C1CCS(=O)(=O)C1,AOABGKLGPRLDHU-UHFFFAOYSA-N
-rxn:4:183899:223074,CC(C)N(Cc1cccc(Cl)c1-c1cccc(NS(=O)(=O)C2CC2)c1)C(=O)OC(C)(C)C,IZERAONSQJPNMA-UHFFFAOYSA-N
-rxn:4:183929:223583,COC(=O)c1ccc2c(-c3ccc(C)c(CN(C(=O)OC(C)(C)C)C4CC4)c3)cn(C(=O)OC(C)(C)C)c2c1,OTCZGNUKUVHRLZ-UHFFFAOYSA-N
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-rxn:4:183983:224488,Cc1ccc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1CN(C(=O)OC(C)(C)C)C(C)C,LQMYLEQAVHXHSM-UHFFFAOYSA-N
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-rxn:4:183999:222846,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(C3CCCNC3)ccc2C#N)c(F)c1)C1CCCC1,LUJKJWSXNLJTJT-UHFFFAOYSA-N
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-rxn:4:191062:226966,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc2c(c1)C(=O)CCC2,TZPHYQIBUMPFLG-UHFFFAOYSA-N
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-rxn:4:191124:227244,CCOc1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1OC,HQCFFNUDIQNOCY-UHFFFAOYSA-N
-rxn:4:191132:224128,Cc1ccc(C(=O)C2=CN(c3ccc(-c4ccc(C(=O)N(C)C5CCCCC5)cc4)cc3)c3ccccc3S2(=O)=O)c(C)c1,RBQFKAWRTLMSFR-UHFFFAOYSA-N
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-rxn:4:207620:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccnc1OC1CN2CCC1CC2,FFDSEKOPFFATQV-UHFFFAOYSA-N
-rxn:4:207736:223992,Cc1ccc(-c2ccc(OC3CC4CCC(C3)N4C)nc2)cc1S(=O)(=O)N1CCN(C)CC1,ZOJKJIWMBJCALJ-UHFFFAOYSA-N
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-rxn:4:207959:225683,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCOC5)nc4C)ccc2OC3C2CCCCC2)cc1,HPBXDOBPVMFRKY-UHFFFAOYSA-N
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-rxn:4:211101:224883,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)N5CCCCC5)cc4)ccc2OC32CCC(C)CC2)cc1,XZJAALJMRJTFQB-UHFFFAOYSA-N
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-rxn:4:212591:225361,COC(=O)c1ccc(C(=O)N2CCC(Oc3ncc(-c4cn(C5CCCC5)nc4C(F)(F)F)cn3)C2)cc1,PDFGPBHZGZABPW-UHFFFAOYSA-N
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-rxn:4:212608:224393,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cn2)C1,UGNDLKFPLMRYGV-UHFFFAOYSA-N
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-rxn:4:212631:226241,COC(=O)CCc1cccc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)c1,JLRCEGSHIDBLIS-UHFFFAOYSA-N
-rxn:4:212639:224634,COc1ccc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1CN1CCOCC1,SFXZGELAOLKVSE-UHFFFAOYSA-N
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-rxn:4:212650:226232,CN(C)CCOc1cccc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)c1,GZJYVHRBSRRWSS-UHFFFAOYSA-N
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-rxn:4:212677:223527,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)nn1,QBPAWAIWNYMUGU-UHFFFAOYSA-N
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-rxn:4:212740:223121,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(C(=O)NC4CC4)cc3)c2)CC1,KHZNTXJCQOHFPS-UHFFFAOYSA-N
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-rxn:4:212770:227214,CCOC(=O)c1nn2c(c1-c1ccc(OCCC#N)cc1)CN(C(=O)OC(C)(C)C)CC2,WCLLGAPNYWZKRL-UHFFFAOYSA-N
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-rxn:4:212843:223926,CN1CCN(c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,RMRLNDITTIYYGN-KXQOOQHDSA-N
-rxn:4:212843:224252,CC1CCCN(C(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c4c3CC[C@@H](N(Cc3ccccc3)Cc3ccccc3)C4)cc2F)C1,QIMNYCJWRPNMSJ-NOUYKBLCSA-N
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-rxn:4:212918:224481,CC(C)(C)OC(=O)N1CC(Cn2cc(-c3ccc(OCCCN4CCCC4)cc3)cn2)C1,DPRLPWDFHMZVDQ-UHFFFAOYSA-N
-rxn:4:212923:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)cc1,FJOMCQJSTKCHDY-UHFFFAOYSA-N
-rxn:4:212944:222597,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(F)c(C(=O)Nc3ccccc3Cl)c2)CC1,PPIVQHUIAUUOIE-UHFFFAOYSA-N
-rxn:4:212949:224153,N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4cc(N5CCCC5)cc(N5CCCC5)c4)o3)CC2)nc1,WNQXYFAXPSXALY-UHFFFAOYSA-N
-rxn:4:213011:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)C)C4)nc3)c(F)c2)CC1,PGFHDWVHJNIVHA-ANRZFKABSA-N
-rxn:4:213011:225898,CC(C)C(=O)N1CCCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)C1,SDHMOAIVTJTERP-UHFFFAOYSA-N
-rxn:4:213037:222826,CC(C)CCN1CCC(Oc2ncc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cn2)CC1,WLBNQHNIXJFMAB-UHFFFAOYSA-N
-rxn:4:213037:223562,CC(C)CCN1CCC(Oc2ncc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,MNLMJPQBDUPTKS-UHFFFAOYSA-N
-rxn:4:213038:226226,COCCOCc1ccccc1-c1c[nH]c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,UMJCKJNGZDVLGS-UHFFFAOYSA-N
-rxn:4:213064:224649,O=C(c1cncc(-c2cc(F)ccc2OCC2CCCCO2)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1,BQOMEFWJHNJUNG-UHFFFAOYSA-N
-rxn:4:213065:222805,O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ncc(-c3cc(F)c(F)c(N4CCC(O)CC4)c3)cn2)C1,QLPLDGOZMDYENW-UHFFFAOYSA-N
-rxn:4:213070:225123,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccncc3OCC3CCCCO3)cn2)CC1,RPKZWHLLAAHJNM-UHFFFAOYSA-N
-rxn:4:213075:227276,CCc1cc(N(C)C)ncc1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1,JKYVDHBUKNTULW-UHFFFAOYSA-N
-rxn:4:213078:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)c1,JHMWGJNDFUKHPZ-UHFFFAOYSA-N
-rxn:4:213094:225295,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2ccccc2S(=O)(=O)N2CCCC2)CC1,MDTODNLHIWNESL-UHFFFAOYSA-N
-rxn:4:213123:224649,O=C(Cc1ccccc1-c1cc(F)ccc1OCC1CCCCO1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,CPJZZIUNFGSHDN-UHFFFAOYSA-N
-rxn:4:213127:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccnc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,AYGOVYQHGXVCGU-UHFFFAOYSA-N
-rxn:4:213132:223945,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,KBNSKJPSPVDTQU-UHFFFAOYSA-N
-rxn:4:213136:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3cnc(OCC4CCCN(CC5CCCO5)C4)nc3)cc2C1,JGXOGZBSFNQHTR-UHFFFAOYSA-N
-rxn:4:213152:224414,COc1ccc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1CN1CCC(Oc2ncc(F)cn2)CC1,NMIKKQMCBKXHJL-UHFFFAOYSA-N
-rxn:4:213218:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc2)cc1,BOCKLTQNWPJULK-FQEVSTJZSA-N
-rxn:4:213218:226018,CSc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc2)cc1OC(F)(F)F,FQCBUASAWQBORL-INIZCTEOSA-N
-rxn:4:213231:223785,CCN1CCN(CCOc2ccc(-c3cc(F)ccc3CC(=O)N3CCC(N(C)c4ccccn4)CC3)cc2Cl)CC1,KXBGANXKDKKPBE-UHFFFAOYSA-N
-rxn:4:213247:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(C(=O)C5(c6ccccc6)CCOCC5)C4)c3)cc2)CC1,MZKCWRUCICIDIL-UHFFFAOYSA-N
-rxn:4:213248:223691,COc1ccc(-c2cc(OCc3cccnc3)c(C(F)(F)F)cc2Cl)c(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1,AZUWWVBJRQEAOQ-UHFFFAOYSA-N
-rxn:4:213257:224835,Cc1nn(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1-c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C,YFIYAIXBZZVDCM-UHFFFAOYSA-N
-rxn:4:213259:228297,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)cn2)s1,POORXIJLJVLJCZ-UHFFFAOYSA-N
-rxn:4:213261:226578,CN(C)C(=O)c1ccc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)cc1Cl,IQDQLZBAOARASL-UHFFFAOYSA-N
-rxn:4:213273:226844,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccncc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,OQTIDQLMYKRIEW-UHFFFAOYSA-N
-rxn:4:213320:226057,CCCCCCc1ccc(-c2nc(C(=O)OC)c3n2CCN(C(=O)OC(C)(C)C)C3)cc1,JQYIHHZIERUUMU-UHFFFAOYSA-N
-rxn:4:213360:225745,C#CCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3ccc(CC(C)C)c([N+](=O)[O-])c3)ccc21,JQUDFLLSCLJTPA-UHFFFAOYSA-N
-rxn:4:213377:225568,CCCN1C(=O)C(=Cc2c(Oc3ccc(-c4ccc(C(C)(C)C(=O)OC)cc4)cc3)nc3ccccn3c2=O)SC1=S,CWTSVSAMGKGZNY-UHFFFAOYSA-N
-rxn:4:213384:223527,COc1ccc2cc(C(=O)N3CCC(Oc4ncccc4-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)CC3)[nH]c2c1,RNOUHNHTDFTRNB-UHFFFAOYSA-N
-rxn:4:213403:224688,COc1ccccc1N1CCN(C(=O)Cn2ccc3cc(-c4ccc(CN5CCC(=O)CC5)c(Cl)c4)ccc32)CC1,HCZLJJKHVBFLDL-UHFFFAOYSA-N
-rxn:4:213413:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc3[nH]c(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)C4)cc3c2)cc1,MZUAPVLDJOQPND-UHFFFAOYSA-N
-rxn:4:213471:222441,CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)cc3)cc2)cc1,ZQTNKODCDWEUFG-UHFFFAOYSA-N
-rxn:4:213480:226319,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JOPIHWLOLOEKCB-DIEQNXPFSA-N
-rxn:4:213480:227803,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccnn4S(=O)(=O)N(C)C)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,NMGOSLNJCLYACI-IYXKQEINSA-N
-rxn:4:213481:224968,COC12CC(COC(=O)c3cncc(-c4cc(C)ccc4OCC4CCCO4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,NVQBGWWWWKHNBK-UHFFFAOYSA-N
-rxn:4:213481:225870,COC12CC(COC(=O)c3cncc(-c4cc(F)cc(N5CCOCC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,KVNCVICDHQLYQN-UHFFFAOYSA-N
-rxn:4:213582:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnn(CC3CCN(CC(F)(F)F)C3)c2)c1,LVTBEUKPMLGQCG-UHFFFAOYSA-N
-rxn:4:213613:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C(=O)N4CCC(Oc5cnccn5)C4)o3)cn2)CC1,HMGKGDKVJCBQJV-UHFFFAOYSA-N
-rxn:4:213630:224355,FC(F)CN1CCC(Cn2cc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cn2)CC1,UJAVJZUHTWVRIK-UHFFFAOYSA-N
-rxn:4:213655:223482,O=S(=O)(c1cc(-c2cnn(CC3CN(CC4CCC4)C3)c2)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,YZDSFUOTUJVCOC-UHFFFAOYSA-N
-rxn:4:213655:223952,CN1CCN(CCOc2ccc(-c3cnn(CC4CN(CC5CCC5)C4)c3)cc2Cl)CC1,RJGMDUDHNJIQRF-UHFFFAOYSA-N
-rxn:4:213672:224664,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2cc(F)cc(CN3CCN(C)CC3)c2)CC1,UUYQUQPKTLZUNV-UHFFFAOYSA-N
-rxn:4:213672:225898,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2cnn(CCN3CCOCC3)c2)CC1,XSYZUMXSFKEAJE-UHFFFAOYSA-N
-rxn:4:213721:225050,CC1CCN(c2cc(F)cc(-c3ccn(C4CCN(C(=O)OC(C)(C)C)C4)n3)c2)CC1,AXQMIGNJWWKKFX-UHFFFAOYSA-N
-rxn:4:213758:223831,COc1ccc(-c2cnc(CCC3CCCCN3S(C)(=O)=O)cn2)cc1S(=O)(=O)N1CCC(C)CC1,VOALHOVUYXPQSP-UHFFFAOYSA-N
-rxn:4:213767:223024,CCCNC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)ccc1F,CYQOFMZMESBPGM-UHFFFAOYSA-N
-rxn:4:213778:224618,CCN1CCN(c2ccc(-c3ccnc(CO[Si](C)(C)C(C)(C)C)c3)c(C(=O)OC)n2)CC1,YDGLROPXGBHCJD-UHFFFAOYSA-N
-rxn:4:213788:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(C(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)c2)CC1,GQWKPHUQHAFGAZ-UHFFFAOYSA-N
-rxn:4:213801:225883,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cnc(C4CCOCC4)c(Cl)c3)n2)C1,OIVPAVGWBGLOKU-UHFFFAOYSA-N
-rxn:4:213814:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccnc1OC1CCN(C(=O)c2cccnc2C)C1,PSZIWHHRZIJJTQ-UHFFFAOYSA-N
-rxn:4:213840:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nccn3C3CCCN(C(=O)OC(C)(C)C)C3)c(F)cc2C)CC1,YHIPMGVTVYFERF-UHFFFAOYSA-N
-rxn:4:213843:224283,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)ccn2)C(=O)C1,FJKZSNKAGWMCTC-UHFFFAOYSA-N
-rxn:4:213849:223927,C[Si](C)(C)CCOCn1c(-c2cnc(OC3CCN(C(=O)C4CCCO4)CC3)nc2)cc2cccnc21,CRQGGGQBJRPNGE-UHFFFAOYSA-N
-rxn:4:213872:224594,CC(=O)N1CCCCC1c1ccccc1-c1cnn(CC2CN(CC3CCCCC3)C2)c1,MWDBMLVGZIYAEA-UHFFFAOYSA-N
-rxn:4:213893:224718,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(OCCN4CCOCC4)nc3)c2)CC1,WBNSRXHBJVTPHU-UHFFFAOYSA-N
-rxn:4:213898:224880,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccccc3CN3CCCCCC3)cn2)CC1,KPZVJUFDIMUBPA-UHFFFAOYSA-N
-rxn:4:213930:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1cnc(OC2CCCN(C(=O)c3ccc(C)c(F)c3)C2)nc1,ZIIWZAPYAHNNEF-UHFFFAOYSA-N
-rxn:4:213937:225260,CCN(CC)S(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCN(c3ccnc(OC)c3)C(=O)C2)cc1,QDCWZAOMPIDODT-UHFFFAOYSA-N
-rxn:4:213979:224992,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccccc2CN2CCC(=O)CC2)nn1,NFKKXDHYLRPIRU-UHFFFAOYSA-N
-rxn:4:213988:225378,CN(C)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)nc1,LGVHAPMCEUOQFJ-UHFFFAOYSA-N
-rxn:4:214007:224061,CCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCC(N(C)c5ccccn5)CC4)cc3)c(F)c2)CC1,NAMKCRSUBJEAJC-UHFFFAOYSA-N
-rxn:4:214027:222874,CC(C)(C)NC(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)ccc1Cl,OEULRGHLCPJQAD-UHFFFAOYSA-N
-rxn:4:214033:226924,Cc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c(C)c(C2CC2)c1,XICYTEYMTLOPCI-CLJLJLNGSA-N
-rxn:4:214060:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cncc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)c2)c1,AVMFKVDXFQNMMK-UHFFFAOYSA-N
-rxn:4:214064:225714,CCOCCOc1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)cc1Cl,XZWBORGKTQZGBD-UHFFFAOYSA-N
-rxn:4:214064:228692,CN(C)Cc1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)s1,CZIROEOOXLIGPU-UHFFFAOYSA-N
-rxn:4:214075:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2ccc(CN3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)cc2)c1Cl,LIQQMPUXIMCYEL-UHFFFAOYSA-N
-rxn:4:214081:225385,O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccc(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)cc2)=NC12CCCCCC2,LMFXPDBPUANWCC-UHFFFAOYSA-N
-rxn:4:214216:223812,O=C(c1nccc2ccccc12)N1CCC(Oc2ncccc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)C1,BIRPOGTXQYKGRR-UHFFFAOYSA-N
-rxn:4:214252:225129,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3C(=NC(=O)c4cccc([N+](=O)[O-])c4)SC4CS(=O)(=O)CC43)cc2)c(F)c1,IRHMGIQAUKNQRZ-UHFFFAOYSA-N
-rxn:4:214255:224740,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cccc(S(=O)(=O)N(C)C(C)(C)C)c2)c2c(Cl)ncnc21,HVENHUQRLNSPLI-UHFFFAOYSA-N
-rxn:4:214276:225979,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cnc(N5CCOCC5)c(Cl)c4)cnc3[nH]2)CC1,QFRAVCFWKSPHDX-UHFFFAOYSA-N
-rxn:4:214292:224757,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc2cc(-c3cc(Cl)cc(C(=O)N4CCOCC4)c3)ccc2[nH]1,WHMBSCSJEXKVGE-FKRCVWNDSA-N
-rxn:4:214335:224703,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccccc2-c2cc(C3CCCC3)cc(C(F)(F)F)c2)CC1,BORXCIBICJHXOE-UHFFFAOYSA-N
-rxn:4:214389:224727,COC(=O)c1cc(-c2ccc3c(c2)C2(C(=O)N3CCC(C)C)c3[nH]c4ccccc4c3CCN2C(C)=O)cc(OC(C)(C)C)n1,OTBAESWPASOPAH-UHFFFAOYSA-N
-rxn:4:214655:224619,CC(C(=O)N1CCC(F)(F)CC1)n1cc(-c2ccc(OCCN3CCCC3)c(F)c2)cn1,IKDSPIJBHDOVHZ-UHFFFAOYSA-N
-rxn:4:214762:223537,CC(C)N1CCN(Cc2ccc(-c3cc4cc(OC(F)(F)F)ccc4n3C(=O)OC(C)(C)C)nc2)CC1,CSOLLEDHJWBLCR-UHFFFAOYSA-N
-rxn:4:214835:222937,O=C(NCC(F)(F)F)c1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1,XUXIXJGABMIJTP-UHFFFAOYSA-N
-rxn:4:214837:226533,CCOC(=O)c1cc(F)ccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,ZTDADBFGEKKDCC-UHFFFAOYSA-N
-rxn:4:214838:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1Cl,OBBJSIUMXLFBOO-UHFFFAOYSA-N
-rxn:4:214839:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)cn2)CC1,QPONIGRXYGOFMB-UHFFFAOYSA-N
-rxn:4:214860:222702,Cn1cc(C2CCCN(S(=O)(=O)c3ccccc3-c3cc(C4CCCNC4)ccc3C(F)(F)F)C2)cn1,GMPVTQRYIYAHBD-UHFFFAOYSA-N
-rxn:4:214862:226236,CCCCOc1ncc(C)cc1-c1cncc(C(=O)N2CCCN(C3CCSC3)CC2)c1,VUZHFFJEPNYLLW-UHFFFAOYSA-N
-rxn:4:214872:223918,CN(C(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1)C1CCCCC1,XSDRGLVYHNWYCR-UHFFFAOYSA-N
-rxn:4:214873:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)c1,BXIWWRVUZLHWAB-UHFFFAOYSA-N
-rxn:4:214880:227710,Cc1cc(-c2ccc(OS(C)(=O)=O)cc2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,VAKAHJVCKJMWPX-UHFFFAOYSA-N
-rxn:4:214897:225221,CC1CCCN(c2cc(-c3ccc(N4C(=O)CC(N5CCN(c6ccccc6)CC5)C4=O)cc3)c(F)cn2)C1,ZIZSRKJSDRTZBP-UHFFFAOYSA-N
-rxn:4:215054:224489,CC(C)N(Cc1ccc(F)cc1-c1ncn2c1CCN(C(=O)OC(C)(C)C)C2=O)C(C)C,KLZUAJGVFUFSDZ-UHFFFAOYSA-N
-rxn:4:215110:222698,Cc1nc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)c2n1CCN(C(=O)OC(C)(C)C)C2,BVFDCUKMFJYKCW-UHFFFAOYSA-N
-rxn:4:215153:223970,Cc1ccc(-c2ccc(CN3CCC4CN(c5ccccn5)CC43)o2)cc1S(=O)(=O)N1CCC(C)CC1,YJTFAWGUSCCCFU-UHFFFAOYSA-N
-rxn:4:215170:224707,COC(=O)c1cc(Cl)cc2cc(-c3cncc(C(=O)N4CC(N5C(=O)C6CC=CCC6C5=O)C4)c3)cnc12,UEWGOQYBQDRUAJ-UHFFFAOYSA-N
-rxn:4:215182:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3[nH]c(C(=O)N4CCN(C(C)C)CC4)cc3c2)cc1,GBLBTEOCIGYYGT-UHFFFAOYSA-N
-rxn:4:215184:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2cccn2)C3)cc1S(=O)(=O)NC1CCCC1,OEXYUWCIMWLAOY-UHFFFAOYSA-N
-rxn:4:215189:225898,CC(C)(C)C(=O)N1CCN(c2nc3ccc(-c4cnn(CCN5CCOCC5)c4)cc3s2)CC1,VUXODWAXNKPUOY-UHFFFAOYSA-N
-rxn:4:215216:226249,CCCCOc1cc(Cl)cc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)c1,DRDNDSPOTNSKOC-UHFFFAOYSA-N
-rxn:4:215704:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOCC4)c(C#N)c3)c2Cl)CC1,HRTTVCLFXQVHFW-UHFFFAOYSA-N
-rxn:4:215708:223787,CN1CCN(CCCOc2ccc(-c3cnc(C(=O)N4CCOCC4)nc3)cc2F)CC1,IUVQUOCMZFJXAL-UHFFFAOYSA-N
-rxn:4:215878:223697,CN1CCN(Cc2cncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c2)CC1,OMFCDDITDTZHLS-UHFFFAOYSA-N
-rxn:4:215890:224244,CC1CCN(C(=O)c2cc(-c3cnc(N4CCCCC4C)c([N+](=O)[O-])c3)ccc2Cl)CC1,SYHOQQMFLZGLSV-UHFFFAOYSA-N
-rxn:4:215941:222584,CN(C)C1CCN(c2cnccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,MVSGUSYCAWEHRM-UHFFFAOYSA-N
-rxn:4:215941:223840,COc1ccc(-c2ccncc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,UFVIWUVRXHKQDK-UHFFFAOYSA-N
-rxn:4:215943:222584,CN(C)C1CCN(c2cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)ccn2)CC1,MMGRZKFCTISBGT-UHFFFAOYSA-N
-rxn:4:215944:222584,CN(C)C1CCN(c2cccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)n2)CC1,XJANTHAGGYPZDR-UHFFFAOYSA-N
-rxn:4:215953:222584,CN(C)C1CCN(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,VMDGNDPUBJCYIP-UHFFFAOYSA-N
-rxn:4:215982:223481,CC1CCCN(c2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)nc(C(C)C)n2)C1,JMBCMUPRZLUNRL-UHFFFAOYSA-N
-rxn:4:216219:223840,COc1ccc(-c2cnc(OC3CC4CCC(C3)N4C)nc2)cc1S(=O)(=O)N1CCN(C)CC1,PKWJEYLUWQYIGY-UHFFFAOYSA-N
-rxn:4:217130:223482,O=S(=O)(c1cc(-c2cnc(Cl)nc2N2CCCCC2)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,BBZVXFHXHGJFMB-UHFFFAOYSA-N
-rxn:4:217586:223531,Cc1nc2c(C(F)(F)F)cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cn2n1,MORFUXLICZDXOC-UHFFFAOYSA-N
-rxn:4:217857:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnn(C)c3C34CCN(C)CC3O4)cc2)CC1,OUDZSYZNDSCHQJ-UHFFFAOYSA-N
-rxn:4:217907:223150,CN(C)CCNc1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)ccn1,OGJQSQNPXNQZDQ-UHFFFAOYSA-N
-rxn:4:218587:225312,CN1CCCN(c2ncc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)nc3)cn2)CC1,YJKMQEFGLLUOGK-UHFFFAOYSA-N
-rxn:4:218588:225227,CC1CCN(c2ncc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc3)cc2Cl)CC1,AUDMMGGNYRHUOB-UHFFFAOYSA-N
-rxn:4:218619:225163,O=C(CCc1ccccc1-c1ccccc1C(=O)N1CCOCC1)N1CCC(n2cc(C3CC3)nn2)C1,YFBJUMFNYLDOPI-UHFFFAOYSA-N
-rxn:4:218676:226245,CCCCOc1ccc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2C)cc1F,LTXQVIQTKFMKEM-UHFFFAOYSA-N
-rxn:4:218682:222584,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)CC1,NIIHXVXRSSTYKN-UHFFFAOYSA-N
-rxn:4:218755:226571,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4cnn(CC5CCOCC5)c4)cc3n(CC#N)c2=O)CC1,OQKOTSPPWLGXJS-UHFFFAOYSA-N
-rxn:4:218766:222656,Cn1cc(CC(=O)N2CCC(COc3ncc(-c4ccc(C(=O)NC5CCCCC5)c(F)c4)cn3)CC2)c2ccccc21,PPZCIJCQLDYTEU-UHFFFAOYSA-N
-rxn:4:218766:225123,Cn1cc(CC(=O)N2CCC(COc3ncc(-c4ccncc4OCC4CCCCO4)cn3)CC2)c2ccccc21,OYJGCBHIAQFSJM-UHFFFAOYSA-N
-rxn:4:218787:226510,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccnc(OCC(C)C)c2Cl)c1,VNHDJONRRZNHKF-UHFFFAOYSA-N
-rxn:4:218867:225977,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(Cl)cnc3N3CCOCC3)c2)no1,IHHUHSYRRNPCPT-UHFFFAOYSA-N
-rxn:4:218868:225447,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OC4CCCCC4)cc3)cc2)no1,PYEILTZJERWBMZ-UHFFFAOYSA-N
-rxn:4:218894:223972,CC1CCCCN1c1ccc(-c2cnc(N3CCC(COc4ccncc4Cl)CC3)c(C#N)c2)c(C(F)(F)F)c1,VVBRLRIYMVMPCV-UHFFFAOYSA-N
-rxn:4:218896:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cncc(F)c5)C4)nc3)c(Cl)c2)CC1,BEGSUWUYDLCYPX-UHFFFAOYSA-N
-rxn:4:218898:224588,CC1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5ccncc5F)CC4)nc3)c2)CC1,XJYYGEMDLYSORY-UHFFFAOYSA-N
-rxn:4:218898:224683,O=C(c1cc(F)cc(-c2cnc(OCC3CCN(C(=O)c4ccncc4F)CC3)nc2)c1)N1CCCCC1,TYXARSHXPLNBAM-UHFFFAOYSA-N
-rxn:4:218908:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnc(OCC4CCN(Cc5cccnc5)CC4)nc3)c2)C1,ODPOQMUSIYOLDC-UHFFFAOYSA-N
-rxn:4:218917:225984,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,BRGPXEKBJVSVAD-UHFFFAOYSA-N
-rxn:4:218917:227878,CCCCCc1ccc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)s1,JKBLFLRCIJTHNQ-UHFFFAOYSA-N
-rxn:4:218968:224718,O=C(c1cncc(-c2ccc(OCCN3CCOCC3)nc2)c1)N1CCCC(Cc2nc(C3CC3)no2)C1,BOKUBECAXGIDPL-UHFFFAOYSA-N
-rxn:4:218993:223595,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)s1,UFJWKLLOMREBQL-UHFFFAOYSA-N
-rxn:4:219038:223594,Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ccncc2-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1,PJLOFDITWFDYIL-UHFFFAOYSA-N
-rxn:4:219046:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)c1Cl,LBRZYFQMRIYEKL-UHFFFAOYSA-N
-rxn:4:219053:224291,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(OCCN5CCOCC5)c(F)c4)c3)cn2)CC1,FXXQBSHUOWXNLT-UHFFFAOYSA-N
-rxn:4:219061:226356,COc1cc(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)c(Cl)cc1C1CC1,HVKBJWBQCHDOQL-UHFFFAOYSA-N
-rxn:4:219081:222704,Cc1ccc(C)c(C2=NN(c3nc(-c4ccc(-c5ccc(C6CCNCC6)c(C(F)(F)F)c5)cc4)cs3)C(c3cccc([N+](=O)[O-])c3)C2)c1,QKFMFUNCIJPXPJ-UHFFFAOYSA-N
-rxn:4:219093:224949,CCC(=O)C1=C(c2ccc(-c3ccc(OC)c(CN4CCCC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,JUDRQMAOFKMFIF-UHFFFAOYSA-N
-rxn:4:219096:225105,CCN(CC)C(=O)c1ccc(-c2cnn(CC3CN(C(=O)CN4C(=O)c5ccccc5C4=O)C3)c2)cc1F,LBWMOYFUUIQGCI-UHFFFAOYSA-N
-rxn:4:219128:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnc(OCC3CCN(Cc4nc5c(s4)CCC5)CC3)nc2)c1,OYUZYZGNBGEFBV-UHFFFAOYSA-N
-rxn:4:219128:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c2)CC1,LFGIDJLBMWDPFZ-UHFFFAOYSA-N
-rxn:4:219136:222816,COc1ccc(N2C(=O)C3N=NN(Cc4cc(OC)ccc4-c4ccc(OC)c(S(=O)(=O)NC(C)C)c4)C3C2=O)cc1,DAWOFPCPQUOEKZ-UHFFFAOYSA-N
-rxn:4:219156:222583,CCOc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc2)c(=O)c3=O)cc1,OQIOHEOKNPSRLA-UHFFFAOYSA-N
-rxn:4:219184:224759,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc2)OC3)CC1,QREHESPNKVHVTA-UHFFFAOYSA-N
-rxn:4:219207:223803,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4cccc(OCc5cccc(C(F)(F)F)c5)c4)cc3)cs2)CC1,SHLOFALWQABEEB-UHFFFAOYSA-N
-rxn:4:219243:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ncn(C3CN(C(=O)OC(C)(C)C)C3)n2)cc1,UKUNQLDMBIEVEG-UHFFFAOYSA-N
-rxn:4:219270:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccccc3S(=O)(=O)N3CC(Cn4ccnn4)C3)c(F)cn2)CC1,QEBKWZANHKEOCH-UHFFFAOYSA-N
-rxn:4:219349:223595,COc1cnc(N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)nc1,HXNYHGCSPZPENO-UHFFFAOYSA-N
-rxn:4:219352:223638,CN(Cc1ccccc1-c1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1)C1CN(c2cnccn2)C1,HWQCMUFXRWROQT-UHFFFAOYSA-N
-rxn:4:219369:223766,Cn1c(-c2cc3cc(C#N)ccc3n2C(=O)OC(C)(C)C)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C,LWGFGBBAHUDLIH-LJQANCHMSA-N
-rxn:4:219369:223997,Cc1cc(-c2nnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2C)cc(C)c1S(=O)(=O)N1CCOCC1,MRCDHKRBONCVGM-LJQANCHMSA-N
-rxn:4:219374:223594,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)nn2)CC1,LXOCLZHAGVJBSZ-UHFFFAOYSA-N
-rxn:4:219384:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2C1,UNYSNTODOLBJQH-UHFFFAOYSA-N
-rxn:4:219392:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CC(n5nc(-c6ccncc6)ccc5=O)C4)o3)c(F)c2)CC1,YUFWKLAAYBNWPJ-UHFFFAOYSA-N
-rxn:4:219406:224759,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)n2)CC1,WAIWTPRMZPUGDP-UHFFFAOYSA-N
-rxn:4:219407:223945,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,VECVGTIOWGJRKC-UHFFFAOYSA-N
-rxn:4:219407:224718,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,UHGQDRWCOTVGLV-UHFFFAOYSA-N
-rxn:4:219479:223009,O=C(c1cc(-c2cc(Cl)cc(C3CCNCC3)c2)ccc1Cl)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,BBKJQCLTXNDFCR-UHFFFAOYSA-N
-rxn:4:219501:228692,CSc1ncc(-c2ccc(CN(C)C)s2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,DSCNRURMCOMQKY-UHFFFAOYSA-N
-rxn:4:219530:223927,C[Si](C)(C)CCOCn1c(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)cc2cccnc21,WIJAMJJUIKXESB-UHFFFAOYSA-N
-rxn:4:219531:226231,CCCCOc1ncc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)cc1C,KBXPOHJVRIYEPX-UHFFFAOYSA-N
-rxn:4:219533:223492,CSc1ncc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,VXQWIXKDYZAASC-UHFFFAOYSA-N
-rxn:4:219552:224164,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cc2c(cnn2C2CCCCO2)cc1C,FXPOGBVJDRJFIE-UHFFFAOYSA-N
-rxn:4:219653:224667,CN1CCN(Cc2cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)ccc2Cl)CC1,JALGMEPDGHMDMU-UHFFFAOYSA-N
-rxn:4:219654:223960,CCN1CCN(C(=O)c2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)ccc2F)CC1,FLADNNRRGXADMN-UHFFFAOYSA-N
-rxn:4:219654:225294,CCN1CCN(c2ncc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cn2)CC1,OCDGPOLJCFRGNK-UHFFFAOYSA-N
-rxn:4:219672:222723,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c(C(=O)N2C3CCC2CC(n2nccn2)C3)c1,TYHFEUBHYTZNEE-UHFFFAOYSA-N
-rxn:4:219693:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2ccn(CC(=O)N3CCN(c4ccccn4)CC3)c2c1,XBOCMFXWPSOYMC-UHFFFAOYSA-N
-rxn:4:219704:223059,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc(N5CCNCC5)cc4Cl)cc3n2)CC1,UGDSVUKSAVXIQG-UHFFFAOYSA-N
-rxn:4:219704:225898,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cnn(CCN5CCOCC5)c4)cc3n2)CC1,MRHXUHCLWMNLMX-UHFFFAOYSA-N
-rxn:4:219891:224633,COc1ccc(CN2CCOCC2)cc1-c1cnn(CC2CN(C3CCN(C)C3=O)C2)c1,SVDYEGLKKYONEH-UHFFFAOYSA-N
-rxn:4:219891:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cnn(CC2CN(C3CCN(C)C3=O)C2)c1,ISWYZKOLWVZAOF-UHFFFAOYSA-N
-rxn:4:219910:223649,Cn1ccnc(N2CCC(Oc3ccncc3-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)c1=O,AMALQYAJCGNHLD-UHFFFAOYSA-N
-rxn:4:219934:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)nc1,UMNRGQJKTMCHKF-UHFFFAOYSA-N
-rxn:4:220161:224258,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(C(=O)N6CCCCC6C)cc5Cl)c(C)c4)C3C2=O)c1,YDEHFYBKNXKDPH-UHFFFAOYSA-N
-rxn:4:220193:223501,Cc1ccc(-c2ccc3nn(Cc4cccc(-c5ccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c(Cl)c5)c4)c(=O)n3n2)cc1C,BFVXMCDSDXEEDH-UHFFFAOYSA-N
-rxn:4:220239:224421,CC(C)c1cc(C(C)C)c(-c2c3c(nn2Cc2ccccc2)C(=O)N([C@H]2COc4ccccc4N(C)C2=O)CC3)c(C(C)C)c1,CKQCOEWJTRSDMC-YTTGMZPUSA-N
-rxn:4:220550:223529,Cc1cc2ncc3c(n2n1)CCN(C(=O)c1ccccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1)C3,WBEZLURSPILQHM-UHFFFAOYSA-N
-rxn:4:221107:225984,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)C2)c(=O)c1C,SMUCGCSVQOHJRH-UHFFFAOYSA-N
-rxn:4:221108:225918,CCOC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)Cn4cnc(C)c(C)c4=O)CC3)nc2)c(F)cc1Cl,SWNAHGGHLUFGKX-UHFFFAOYSA-N
-rxn:4:221121:224057,Cc1cc(OCc2ccccc2)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc1C,UTERVRLBTOEIIH-UHFFFAOYSA-N
-rxn:4:221150:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(c5cccc(C#N)n5)C4)nc3)c2)CC1,DYGNBYWDJMSARV-UHFFFAOYSA-N
-rxn:4:221151:224018,O=C(c1cnccn1)N1CCCC(COc2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cn2)C1,LWDJLISZTKFMEZ-UHFFFAOYSA-N
-rxn:4:221153:223978,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCCC(COc4cc(C#N)ccn4)C3)nc2)cc1C(F)(F)F,YWLQWCCPHQMEKH-UHFFFAOYSA-N
-rxn:4:221172:222634,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)ccc1=O,GXQZIKYQNVDBJU-UHFFFAOYSA-N
-rxn:4:221173:222948,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)C2)ccc1=O,GAOFUDLMXUOXJE-UHFFFAOYSA-N
-rxn:4:221182:224621,COCCN1C(=O)CN(C2CCN(c3ncc(-c4ccc(OCCN5CCSCC5)cc4)cn3)CC2)C1=O,SXZUEWUGOUFNPO-UHFFFAOYSA-N
-rxn:4:221208:223279,Cc1cc(N2CCN(CCc3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)nc(N2CCOCC2)n1,HAOKAAMFWYGCQT-UHFFFAOYSA-N
-rxn:4:221249:225984,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cnc(Cl)c(N6CCOCC6)c5)cnn4c3)cc2)CC1,ZBXGFBNZXVENTO-UHFFFAOYSA-N
-rxn:4:221263:222948,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2)n(C)c1=O,UVYQBQHWKSVUEJ-UHFFFAOYSA-N
-rxn:4:221360:223997,Cc1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4cn(C)cn4)C3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,UIOCVDONLXPYJZ-UHFFFAOYSA-N
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-rxn:4:221440:222985,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCNC5)nc4C)cc3)CC2)n1,OCSSTRRDETVZME-UHFFFAOYSA-N
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-rxn:4:221913:222540,Cn1nnnc1SCC(=O)N1CCC(Oc2ncccc2-c2cccc(C(=O)NCCN3CCCCC3)c2)CC1,MXJWKUAYGUAQOG-UHFFFAOYSA-N
-rxn:4:221935:223753,Cc1ccc(-c2cnc(OCC3CCCN(c4nccnc4C#N)C3)nc2)cc1OCCCN1CCN(C)CC1,TVHARXGJKHAKMX-UHFFFAOYSA-N
-rxn:4:221965:222886,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCNCC6)cc5C#N)cc4)CC3)nn2)CC1,GHXHNQBVXVBUBV-UHFFFAOYSA-N
-rxn:4:221965:228366,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(N(C)C)c(F)c5)cc4)CC3)nn2)CC1,AGYBIQSVMWECPL-UHFFFAOYSA-N
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-rxn:4:222008:222584,Cc1nnc(CN2CCC(Oc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)n1C,RQHNYJVVTIQGCB-UHFFFAOYSA-N
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-rxn:4:222029:222394,CN(C)c1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(C(=O)N[C@H]4CC[C@H](O)CC4)cc3)CC2)n1,WYWZKJQNPCRVRS-YHBQERECSA-N
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-rxn:4:222108:225300,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC7CCOCC7)nc6F)cc5)no4)C3C2=O)cc1F,ZPCIXEAEJHFZQA-UHFFFAOYSA-N
-rxn:4:222162:222466,c1nc(C2CCC2)cc(N2CCN(c3ncc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,BVEISGLMUISWBV-UHFFFAOYSA-N
-rxn:4:222389:184705,CN(C)CCCOc1c(F)cccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,KFTPLQYBAGCODK-UHFFFAOYSA-N
-rxn:4:222389:215819,c1c(-c2cc(N3CCCC3)nc(C3CC3)n2)cc(C2CCNCC2)nc1C1CCNCC1,ILFMDFUZCFJYJJ-UHFFFAOYSA-N
-rxn:4:222523:185748,CC(C)(C)NS(=O)(=O)c1ccc(-c2ncccc2OC(C(F)(F)F)C(F)(F)F)c(C(F)(F)F)c1,FLFDCFCASILPJN-UHFFFAOYSA-N
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-rxn:4:222543:187287,Cc1cccc(C(=O)N(C(C)C)C(C)C)c1-c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1,DAAKYMYOYOBCSW-UHFFFAOYSA-N
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-rxn:4:222613:187299,CCCNS(=O)(=O)c1ccc(-c2cc(C(=O)N(C(C)C)C(C)C)ccc2C)c(C(F)(F)F)c1,HFLCFCSDJGWVSQ-UHFFFAOYSA-N
-rxn:4:222633:218568,CC(C)Oc1ccc(C(=O)N2CC(Cn3cc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cn3)C2)cn1,PSNFTOQJSNWIMU-UHFFFAOYSA-N
-rxn:4:222723:203893,CS(=O)(=O)N1CCCC(Cc2cncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c2)C1,XZYBZHZXSUPMGH-UHFFFAOYSA-N
-rxn:4:222723:206946,CS(=O)(=O)N1CCCC(c2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)C1,YBNACDCEHJPYFG-UHFFFAOYSA-N
-rxn:4:222723:206962,CS(=O)(=O)N1CCCC(c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,SJLYHRWVLQNCTL-UHFFFAOYSA-N
-rxn:4:222723:214670,CC(=O)N1CCCC(Cc2cnc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,YXZVOYCVELYPEK-UHFFFAOYSA-N
-rxn:4:222783:174516,CC(C)[Si](Oc1ccccc1-c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1)(C(C)C)C(C)C,XWMHOIBTUUETIQ-UHFFFAOYSA-N
-rxn:4:222802:174518,Cc1ccc(-c2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2F)c(S(=O)(=O)NC(C)(C)C)c1,RXOFLJWMQOFWCE-UHFFFAOYSA-N
-rxn:4:222821:187822,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)CN(CC(=O)OC(C)(C)C)C3=O)ccc1F,ZRKWITOTUCTQKX-UHFFFAOYSA-N
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-rxn:4:222910:176168,CCCNS(=O)(=O)c1ccc(-c2cc(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2)c(C)c1,RHRKENYSWVGZGO-UHFFFAOYSA-N
-rxn:4:222970:187669,CC(C)CNC(=O)c1ccccc1-c1ccc(C2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1,UAOQUSWMMOFUCV-UHFFFAOYSA-N
-rxn:4:223082:185535,CNS(=O)(=O)c1c(C)cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C3)cc1C,ZNOAKZUQPAASIX-NRFANRHFSA-N
-rxn:4:223481:179865,C#Cc1ccccc1-c1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c1,IBIODIRIRSOXJV-UHFFFAOYSA-N
-rxn:4:223481:195587,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)cnc1C(F)F,VOYFMJLGTPXTNZ-UHFFFAOYSA-N
-rxn:4:223481:197758,CC(C)c1cc(Cl)c2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)ccc2n1,VZFKASQLAOGQNE-UHFFFAOYSA-N
-rxn:4:223481:209906,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc4sc(C#N)nc34)c(F)c2)CC1,MIWQWJNZEXIPTL-UHFFFAOYSA-N
-rxn:4:223570:174658,CC(C)c1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)ccc3C2=O)cc1,XJZSILNCSSUBRX-UHFFFAOYSA-N
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-rxn:4:223641:186778,CCc1cc2c(cc1F)cc(-c1cccc(C3(C#N)CC(OC)(OC)C3)c1)n2C(=O)OC(C)(C)C,BGVHDBCBHCWHPU-UHFFFAOYSA-N
-rxn:5:176587:222981:225607,CCOC(=O)c1ccc(-c2ccnc(NC3CCCCC3)c2)cc1-c1ccc(C(C)N2CCCCC2)s1,JQIHBYFPWWRUSF-UHFFFAOYSA-N
-rxn:5:176871:225982:223065,COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)c(OC)cc1-c1cnc(N2CCOCC2)cc1F,OHDHRJUFONJCLQ-UHFFFAOYSA-N
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-rxn:5:177180:226330:223064,CCOC(=O)c1c(C)cc(-c2ccc(C(C)N3CCCC3)s2)cc1-c1ccc(C2CCNCC2)nc1F,WBGOIVODBXXJFE-UHFFFAOYSA-N
-rxn:5:177184:222989:226662,CCOC(=O)c1c(-c2ccc(N3CCN(C)CC3)s2)ccc(C)c1-c1ccc(N2CCNCC2)cc1C,GAKAZDLNTIRHCS-UHFFFAOYSA-N
-rxn:5:177184:223061:226426,CCOC(=O)c1c(-c2ccc(N3CCC(C)CC3)s2)ccc(C)c1-c1cc(C2CCNCC2)ncc1F,BADKKNUBDKVBGJ-UHFFFAOYSA-N
-rxn:5:177184:223062:226426,CCOC(=O)c1c(-c2ccc(N3CCC(C)CC3)s2)ccc(C)c1-c1cnc(C2CCNCC2)cc1F,ILTYGCPBCHIDFA-UHFFFAOYSA-N
-rxn:5:177184:223062:226427,CCOC(=O)c1c(-c2cc(N3CCC(C)CC3)cs2)ccc(C)c1-c1cnc(C2CCNCC2)cc1F,AACCLHJCJKARRR-UHFFFAOYSA-N
-rxn:5:177184:223064:226426,CCOC(=O)c1c(-c2ccc(N3CCC(C)CC3)s2)ccc(C)c1-c1ccc(C2CCNCC2)nc1F,OQMMWISIJMWJDP-UHFFFAOYSA-N
-rxn:5:177184:223064:226427,CCOC(=O)c1c(-c2cc(N3CCC(C)CC3)cs2)ccc(C)c1-c1ccc(C2CCNCC2)nc1F,HWIRMANIAWPSDY-UHFFFAOYSA-N
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-rxn:5:177189:223062:226427,CCOC(=O)c1c(-c2cnc(C3CCNCC3)cc2F)ccc(C)c1-c1cc(N2CCC(C)CC2)cs1,QMQKZQGTGAITPV-UHFFFAOYSA-N
-rxn:5:177189:223064:226427,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1cc(N2CCC(C)CC2)cs1,GKPPTAHLPVIARS-UHFFFAOYSA-N
-rxn:5:177190:223054:226586,CCS(=O)(=O)Cc1ccc(-c2ccnc(OC3CCOC3)c2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,QHCASWCIZDYYPZ-UHFFFAOYSA-N
-rxn:5:177190:225452:226052,CCS(=O)(=O)Cc1ccc(-c2c(F)ccc(OC(F)(F)F)c2F)c(-c2ccc(OC3C=CCCC3)cc2)c1,HAFGQUYFLILWPU-UHFFFAOYSA-N
-rxn:5:177190:226035:225595,CCS(=O)(=O)Cc1ccc(-c2ccc(F)c(CN3CCCC3)c2)c(-c2c(OC)ccc(C(F)(F)F)c2F)c1,DNVACAXZSZFESQ-UHFFFAOYSA-N
-rxn:5:177191:225603:223002,N#CC1(c2cccc(-c3cc(-c4ccc(C5CCNCC5)cc4F)ccc3CC(=O)C3CC3)c2F)CCC1,AFGSQLJCRLEMGM-UHFFFAOYSA-N
-rxn:5:177373:225507:226371,COC(=O)C1CCc2cc(-c3cc(-c4cnc(N5CCCC5)cc4C)ccc3OCC3OCCO3)ccc21,TZMKBOSVFDFENO-UHFFFAOYSA-N
-rxn:5:177373:226428:226350,COC(=O)c1c(C)ccc(-c2ccc(OCC3OCCO3)c(-c3cc(N4CCCCC4C)cs3)c2)c1C,OMMWBCRQEQIQHN-UHFFFAOYSA-N
-rxn:5:177731:225976:226794,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCSCC3)nc2)cc1-c1ccnc(N2CCOCC2)c1F,OOMZCUFBYXXTMD-UHFFFAOYSA-N
-rxn:5:177734:223294:225982,Cc1cc(-c2csc(N3CCNCC3)n2)c(-c2cnc(N3CCOCC3)cc2F)cc1C(=O)OC(C)C,YIKKIEMUVACREQ-UHFFFAOYSA-N
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-rxn:5:177739:225498:226060,CC(C)(C)OC(=O)c1cccc(-c2cc(C3CCCCC3)ccc2F)c1-c1cc(C2CC2)cc(C2CC2)c1,VLHDPZCSRYEFAT-UHFFFAOYSA-N
-rxn:5:177850:225798:227710,CCOc1ccc(-c2ccc(OC3CCOCC3)nc2)c(C2OCCO2)c1-c1ccc(OS(C)(=O)=O)cc1,VZLRWOOCXYUMGV-UHFFFAOYSA-N
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-rxn:5:177850:227710:225597,CCOc1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(C2OCCO2)c1-c1ccc(OC2CCCCC2)nc1,JPCJBDKQAVYKOH-UHFFFAOYSA-N
-rxn:5:177850:227710:225794,CCOc1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(C2OCCO2)c1-c1cnc(OC2CCCCC2)nc1,XBJKAMXIOVOUNE-UHFFFAOYSA-N
-rxn:5:177850:227710:225798,CCOc1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(C2OCCO2)c1-c1ccc(OC2CCOCC2)nc1,NFUXBMIVALKCPI-UHFFFAOYSA-N
-rxn:5:177850:227710:225803,CCOc1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(C2OCCO2)c1-c1ccnc(OC2CCOCC2)c1,YIWACAJKDRTOCN-UHFFFAOYSA-N
-rxn:5:177891:222418:226177,NS(=O)(=O)c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCCCC3)c2)cc1,AJMOPYZXWUJJDR-UHFFFAOYSA-N
-rxn:5:177891:223132:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(N3CCNCC3)c2)s1)N1CCOCC1,GKJJQJWTRSCRKA-UHFFFAOYSA-N
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-rxn:5:177891:223142:225454,CN1CC=C(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(C4CCCNC4)nc3)cc2)CC1,REYVKXAMAVTVDI-UHFFFAOYSA-N
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-rxn:5:178121:225976:227780,O=[N+]([O-])c1ccc(F)c(-c2cccc(OCC3CCOCC3)c2-c2ccnc(N3CCOCC3)c2F)c1F,HPKZMHPFBNPIRT-UHFFFAOYSA-N
-rxn:5:178121:226152:225597,COc1cc(C2CC2)cc(-c2c(OCC3CCOCC3)cccc2-c2ccc(OC3CCCCC3)nc2)c1C,ZVDIAJZLCIPWKA-UHFFFAOYSA-N
-rxn:5:178121:226652:227710,Cc1cc(-c2c(OCC3CCOCC3)cccc2-c2ccc(OS(C)(=O)=O)cc2)n(C2CCCCO2)n1,XOLHJPFSHXZPQM-UHFFFAOYSA-N
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-rxn:5:178121:226662:227710,CN1CCN(c2ccc(-c3c(OCC4CCOCC4)cccc3-c3ccc(OS(C)(=O)=O)cc3)s2)CC1,IXRCCECOSQUCTR-UHFFFAOYSA-N
-rxn:5:178295:223058:227505,COC(=O)C1(c2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)ccc2-c2cc(F)nc(C3CCCNC3)c2)CCC(=O)CC1,RTNHDLGEGHAVOE-FOWTUZBSSA-N
-rxn:5:178295:223131:228219,COC(=O)C1(c2cc(-c3cnc(C(C)C)cc3F)ccc2-c2ccc(N3CCNCC3)cc2)CCC(=O)CC1,HKVBXWYZCFWUBO-UHFFFAOYSA-N
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-rxn:5:178295:226758:226679,COC(=O)C1(c2cc(-c3cnc(N4CCCC4)cc3F)ccc2-c2ccc(OC)c(C(F)(F)F)c2)CCC(=O)CC1,XSVYUHQNQGYXSX-UHFFFAOYSA-N
-rxn:5:178295:226922:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2c(C)cc(C3CC3)cc2C)CCC(=O)CC1,GCRUWXFMDFAWTF-UHFFFAOYSA-N
-rxn:5:178295:226926:228420,COC(=O)C1(c2cc(-c3cc(F)c(SC)c(F)c3)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,WIPGEFXKUSSUOF-UHFFFAOYSA-N
-rxn:5:178295:227045:226910,CCC(C)(C)c1ccc(-c2ccc(-c3cccc(SC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,PERRWVZKLAWVSL-UHFFFAOYSA-N
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-rxn:5:178295:227102:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HGZKGTSOJZTQBO-UHFFFAOYSA-N
-rxn:5:178295:227108:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(C3CCC3)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,AKCOVZTVHOKFCO-UHFFFAOYSA-N
-rxn:5:178295:227124:227071,COCc1cc(C)c(-c2ccc(-c3ccc(C(C)(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,YUDRHWOIPJKYNX-UHFFFAOYSA-N
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-rxn:5:178295:227505:223058,COC(=O)C1(c2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)CCC(=O)CC1,MWGDQHZACOYQFZ-FOWTUZBSSA-N
-rxn:5:178295:227529:228279,CCc1cc(F)c(-c2ccc(-c3ccc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,XBIAYMMPKYYXCA-UHFFFAOYSA-N
-rxn:5:178295:227704:228268,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3SC)ccc2-c2cc(C(F)F)ncc2OC)CCC(=O)CC1,DHGUITPLXYUMEB-UHFFFAOYSA-N
-rxn:5:178295:228429:227346,CCCc1cc(F)c(-c2ccc(-c3c(F)ccc(SC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,VGDUDPYFNACUJN-UHFFFAOYSA-N
-rxn:5:178295:228435:227346,CCCc1cc(F)c(-c2ccc(-c3c(SC)ccc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,LRIOSPPAWZLWCL-UHFFFAOYSA-N
-rxn:5:178295:228443:227071,COCc1cc(C)c(-c2ccc(-c3ccc(F)c(SC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,WSDXEQUGPWRFKU-UHFFFAOYSA-N
-rxn:5:178295:228800:226068,COC(=O)C1(c2cc(-c3c(C)cc(C(C)(C)C)cc3C)ccc2-c2cc(F)ccc2SC)CCC(=O)CC1,QAPVPECUCPYQGA-UHFFFAOYSA-N
-rxn:5:178313:225407:223203,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2cccc(C3(O)CCC3)c2)c1,MOBZLBIVLIPKLD-UHFFFAOYSA-N
-rxn:5:178313:225407:227032,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2cccc(C#N)c2C2CC2)c1,SYNHGJITQZMSDV-UHFFFAOYSA-N
-rxn:5:178313:225407:227045,CC(C)(C)Sc1cccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3CCCCCC3)cc2)c1,HKHQGKNAOAEMSD-UHFFFAOYSA-N
-rxn:5:178313:225437:226907,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(CN3CCCCC3)c2)c(-c2cccc3c2CCC32CC2)c1,AAQDCUBMXFHTHJ-UHFFFAOYSA-N
-rxn:5:178313:226067:226183,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3=CCCCC3)cc2)c(-c2cnccc2C2CCCCC2)c1,HEBKPBSLOUTMSC-UHFFFAOYSA-N
-rxn:5:178313:226190:226062,CC(C)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3CCCC3)cc2F)cc(C(C)C)c1,WIBUNWLGEXOVQC-UHFFFAOYSA-N
-rxn:5:178313:226918:225451,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3=CCCC3)cc2)c(-c2ccc(SC3CCCCC3)cc2)c1,ZBDCBMBLTWWMJU-UHFFFAOYSA-N
-rxn:5:178313:227052:225462,CC1CCN(c2cccc(-c3cc(O[Si](C)(C)C(C)(C)C)ccc3-c3ccc(SC(C)(C)C)cc3)c2)CC1,GROUWCYTQPIVLT-UHFFFAOYSA-N
-rxn:5:178314:225498:225394,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCCCC3)ccc2F)ccc1-c1cc(C2CCC2)cc(C2CC2)c1,HPBZGQXJZZFWAP-UHFFFAOYSA-N
-rxn:5:178314:226060:226191,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CC3)cc(C3CC3)c2)ccc1-c1cc(C2CCCC2)ccc1F,MYZLQIWCDXGNRS-UHFFFAOYSA-N
-rxn:5:178314:226061:226191,CC(C)c1cc(-c2ccc(-c3cc(C4CCCC4)ccc3F)c(O[Si](C)(C)C(C)(C)C)c2)cc(C2CC2)c1,MSQROBHOZSQABF-UHFFFAOYSA-N
-rxn:5:178314:227412:225450,CC(C)(C)c1cc(F)c(-c2ccc(-c3ccc(C(=O)C4CCCC4)cc3)c(O[Si](C)(C)C(C)(C)C)c2)cn1,WDZKUHNKYZUASU-UHFFFAOYSA-N
-rxn:5:178315:225451:226918,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2ccc(C3=CCCC3)cc2)c1,DVMWGVBMHPVLQL-UHFFFAOYSA-N
-rxn:5:178315:225451:227102,CC(C)(C)c1ccc(F)c(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(SC4CCCCC4)cc3)c2)c1,WHNFJRRHQHKLNT-UHFFFAOYSA-N
-rxn:5:178315:225453:227663,Cc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cccc(SC4CCCCC4)c3)c2)cc1C(F)(F)F,PJAVAZYPWDWKDA-UHFFFAOYSA-N
-rxn:5:178315:225498:227052,CC(C)(C)Sc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cc(C4CCCCC4)ccc3F)c2)cc1,PAVJZYYRFVKJTO-UHFFFAOYSA-N
-rxn:5:178315:226067:223189,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCCC3)cc2)cc(-c2ccc(NS(C)(=O)=O)cc2F)c1,NPPNRLCGXGJPFP-UHFFFAOYSA-N
-rxn:5:178353:226033:226469,COc1cc(-c2cc(C)c(S(=O)(=O)Oc3ccc(-c4ccc5c(c4)N(C)C(=O)CO5)c(C)c3)cc2C)cc(C(F)(F)F)c1F,PDRBIIXITDGKRU-UHFFFAOYSA-N
-rxn:5:178466:225633:223061,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCCCCC4)nc3)ccc2c1-c1cc(C2CCNCC2)ncc1F,TWIQLVIIOFTOPZ-UHFFFAOYSA-N
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-rxn:5:178467:223001:227770,CCOC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3cc(C4CCCNC4)ccc3F)c2OC1,VNTRPZUDZACCGX-UHFFFAOYSA-N
-rxn:5:178467:223016:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)c2OC1,PHSFPCRMYILFJF-UHFFFAOYSA-N
-rxn:5:178467:223016:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)c2OC1,CSOQGOSZIDFJNB-UHFFFAOYSA-N
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-rxn:5:180662:225632:223062,COC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cccc(N4CCN(C)CC4)c3)c2OC1,GDXMKLTUWMDJAQ-UHFFFAOYSA-N
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-rxn:5:180662:227292:222988,COC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCNCC4)c3)cc(-c3ccc(F)c(CN(C)C)c3)c2OC1,NZBOCAQMZUQKQF-UHFFFAOYSA-N
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-rxn:5:180662:227657:226745,CCc1ncc(C(F)(F)F)cc1-c1cc2c(c(-c3ccc(N4CCOCC4)s3)c1)OCC(C(=O)OC)=C2,JGCWBKAEHHDNRE-UHFFFAOYSA-N
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-rxn:5:180662:227710:223063,COC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,KLNGQOIYMNVPQG-UHFFFAOYSA-N
-rxn:5:181904:222956:226428,Cc1ccc(-c2ccc(C3OCCO3)c(C)c2-c2cc(N3CCCCC3C)cs2)c(C2CCCNC2)c1,QKOBZFGUANQPMG-UHFFFAOYSA-N
-rxn:5:181904:225832:226197,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(C2CCCOC2)cc1,SXRMPXITVNNCLE-UHFFFAOYSA-N
-rxn:5:181906:225805:223134,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1cnccc1C1CCCNC1,MSKPRHIYSXEMIP-UHFFFAOYSA-N
-rxn:5:181906:225832:226182,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cccnc1C1CCCCC1,YDRZQASQQWGCRK-UHFFFAOYSA-N
-rxn:5:181907:226067:225607,Cc1cc(-c2ccc(C3=CCCCC3)cc2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,WXYLEIGFPLRULJ-UHFFFAOYSA-N
-rxn:5:181908:225466:225684,Cc1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2ccc(C3CCOCC3)nc2C)cc1C1OCCO1,YBMDKKMYCGSCTJ-UHFFFAOYSA-N
-rxn:5:181908:225683:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCCOC3)nc2C)c(C2CCCNC2)c1,GTGZORGXHXJOIC-UHFFFAOYSA-N
-rxn:5:182010:225832:223140,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCCNC3)c2)ccc1C1CCOCC1,UKBUNDCGEUFWIZ-UHFFFAOYSA-N
-rxn:5:182012:226686:225436,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(CN3CCCCC3)cc2)c(C2CCCOC2)c1,MRTGHPPUPFGWCG-UHFFFAOYSA-N
-rxn:5:188445:226440:225818,COC(=O)c1cc(-c2cc(F)nc(C3CCCC3)c2)cc([N+](=O)[O-])c1-c1ccc(C(F)(F)F)cc1C1CC1,KQJZDGLHDLSOPG-UHFFFAOYSA-N
-rxn:5:188787:227390:223007,O=[N+]([O-])c1cc(-c2ccnn2C2CCCCC2)c(-c2cc(F)cc(C3CCNCC3)c2)cc1OC1CC1,LYLHHZOWUGXPOS-UHFFFAOYSA-N
-rxn:5:188872:222996:222957,CON(C)C(=O)c1cc(-c2ccc(F)cc2C2CCCNC2)ccc1-c1cc(C)cc(C2CCCNC2)c1,PLEMPWSKUDYZAF-UHFFFAOYSA-N
-rxn:5:188872:222996:222960,CON(C)C(=O)c1cc(-c2ccc(F)cc2C2CCCNC2)ccc1-c1cc(C)cc(C2CCNCC2)c1,DMEXZLRBQFBOGG-UHFFFAOYSA-N
-rxn:5:188872:223006:222957,CON(C)C(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)ccc1-c1cc(C)cc(C2CCCNC2)c1,PFRLGRXMRTUSJU-UHFFFAOYSA-N
-rxn:5:188872:225677:223064,CON(C)C(=O)c1cc(-c2ccc(C3CCCCC3)nc2F)ccc1-c1ccc(C2CCNCC2)nc1F,QNTROWMBSXITEY-UHFFFAOYSA-N
-rxn:5:188873:222998:223006,CON(C)C(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)ccc1-c1cc(F)cc(C2CCCNC2)c1,XWJVEYURIIIKDJ-UHFFFAOYSA-N
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-rxn:5:188873:225625:223062,CON(C)C(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1cc(OC2CCCC2)ccc1F,PLMJHUXIQJDIDP-UHFFFAOYSA-N
-rxn:5:188874:222987:223007,CON(C)C(=O)c1ccc(-c2cc(F)cc(C3CCNCC3)c2)cc1-c1ccc(C2CCNCC2)nc1C,VZUWAWQGOOBKLI-UHFFFAOYSA-N
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-rxn:5:188874:223006:222960,CON(C)C(=O)c1ccc(-c2cc(C)cc(C3CCNCC3)c2)cc1-c1ccc(F)c(C2CCNCC2)c1,FFCPZUDKSWBJCA-UHFFFAOYSA-N
-rxn:5:188874:223006:222989,CON(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2C)cc1-c1ccc(F)c(C2CCNCC2)c1,KKLRUZGDLLKLFN-UHFFFAOYSA-N
-rxn:5:188874:223062:223006,CON(C)C(=O)c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1cnc(C2CCNCC2)cc1F,ACVKCTNTDKXYFK-UHFFFAOYSA-N
-rxn:5:188874:225625:223062,CON(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cc(OC2CCCC2)ccc1F,OKRXLXBGFVJAQL-UHFFFAOYSA-N
-rxn:5:188875:223006:222960,CON(C)C(=O)c1cc(-c2cc(C)cc(C3CCNCC3)c2)cc(-c2ccc(F)c(C3CCNCC3)c2)c1,XCIPFBBJXPRCJS-UHFFFAOYSA-N
-rxn:5:188876:222996:222957,CON(C)C(=O)c1cccc(-c2ccc(F)cc2C2CCCNC2)c1-c1cc(C)cc(C2CCCNC2)c1,XKSHZUWOWVEKJX-UHFFFAOYSA-N
-rxn:5:188876:223006:222957,CON(C)C(=O)c1cccc(-c2ccc(F)c(C3CCNCC3)c2)c1-c1cc(C)cc(C2CCCNC2)c1,JMVRSEGNEONYLV-UHFFFAOYSA-N
-rxn:5:188876:225638:223007,CON(C)C(=O)c1cccc(-c2ccc(N3CCC(C)CC3)nc2)c1-c1cc(F)cc(C2CCNCC2)c1,XINKQLIFVTWTQJ-UHFFFAOYSA-N
-rxn:5:188877:222996:222960,CON(C)C(=O)c1ccc(-c2cc(C)cc(C3CCNCC3)c2)c(-c2ccc(F)cc2C2CCCNC2)c1,LUFAISOXCAAYBD-UHFFFAOYSA-N
-rxn:5:188877:223006:222957,CON(C)C(=O)c1ccc(-c2cc(C)cc(C3CCCNC3)c2)c(-c2ccc(F)c(C3CCNCC3)c2)c1,NJFYBZDBEMCBGG-UHFFFAOYSA-N
-rxn:5:188877:223058:223002,CON(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)cc2F)c(-c2cc(F)nc(C3CCCNC3)c2)c1,DFKUFPNMMXGDIL-UHFFFAOYSA-N
-rxn:5:188930:227085:223061,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCCC3)nc2)cc1-c1cc(C2CCNCC2)ncc1F,NSFCMKCTXWTOTR-UHFFFAOYSA-N
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-rxn:5:188930:227085:223064,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCCC3)nc2)cc1-c1ccc(C2CCNCC2)nc1F,GRIFQQCXQHANHK-UHFFFAOYSA-N
-rxn:5:188930:227086:223062,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCCC3)c2)cc1-c1cnc(C2CCNCC2)cc1F,MRPXHEOIAZYKRS-UHFFFAOYSA-N
-rxn:5:188930:227086:223064,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCCC3)c2)cc1-c1ccc(C2CCNCC2)nc1F,OKPKFMHBGCARNI-UHFFFAOYSA-N
-rxn:5:188931:226172:226769,COC(=O)c1cc(F)c(F)c(-c2c(C(=O)OC)cc(-c3cc(N4CCCC4)ccc3C)cc2S(N)(=O)=O)c1,UNXGOXFZRPAILK-UHFFFAOYSA-N
-rxn:5:188931:227085:223062,COC(=O)c1cc(-c2ccc(C3CCCC3)nc2)cc(S(N)(=O)=O)c1-c1cnc(C2CCNCC2)cc1F,ZSORMRFNQCUMAD-UHFFFAOYSA-N
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-rxn:5:188932:223138:223135,COC(=O)c1cc(-c2ccnc(C3CCNCC3)c2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,UQRVVLUIZJOKSR-UHFFFAOYSA-N
-rxn:5:188932:226180:223062,COC(=O)c1cc(-c2cc(C)nc(C3CCCC3)c2)c(S(N)(=O)=O)c(-c2cnc(C3CCNCC3)cc2F)c1,IUOAWEDFCBJXIW-UHFFFAOYSA-N
-rxn:5:188932:227085:223062,COC(=O)c1cc(-c2ccc(C3CCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(C3CCNCC3)cc2F)c1,TVOLXDLSKVLNPF-UHFFFAOYSA-N
-rxn:5:188932:227085:223064,COC(=O)c1cc(-c2ccc(C3CCCC3)nc2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2F)c1,BXDZOSKDOQYATC-UHFFFAOYSA-N
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-rxn:5:188932:227086:223062,COC(=O)c1cc(-c2ccnc(C3CCCC3)c2)c(S(N)(=O)=O)c(-c2cnc(C3CCNCC3)cc2F)c1,JUDSXOVEOUCQBC-UHFFFAOYSA-N
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-rxn:5:188932:227091:223064,COC(=O)c1cc(-c2cncc(C3CCCC3)c2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2F)c1,SGVZBILBPUFFOV-UHFFFAOYSA-N
-rxn:5:189001:223138:222404,COC(=O)C1(c2nc(-c3ccc(C4NC(=O)NC4=O)cc3)ccc2-c2ccnc(C3CCNCC3)c2)CC1,AMLJIJPZPHUJGI-UHFFFAOYSA-N
-rxn:5:189079:226426:223064,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2ccc(N3CCC(C)CC3)s2)c1,BKOMJSWIJUBOKD-UHFFFAOYSA-N
-rxn:5:189079:226661:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,UXSFAQBMLJSJOB-UHFFFAOYSA-N
-rxn:5:189079:226661:223063,CCN(C)C(=O)c1ccc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2cc(N3CCN(C)CC3)cs2)c1,HKHHLYBNBMBMSU-UHFFFAOYSA-N
-rxn:5:189079:226661:223064,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,NSVAYRQCXANGCW-UHFFFAOYSA-N
-rxn:5:189079:226662:223007,CCN(C)C(=O)c1ccc(-c2cc(F)cc(C3CCNCC3)c2)c(-c2ccc(N3CCN(C)CC3)s2)c1,KMNNNPLBQQQNFZ-UHFFFAOYSA-N
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-rxn:5:189079:226662:223063,CCN(C)C(=O)c1ccc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2ccc(N3CCN(C)CC3)s2)c1,CVCAJWPPTWQKPP-UHFFFAOYSA-N
-rxn:5:189210:228191:223002,Cc1cc(-c2cccc(-c3ccc(C4CCNCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)cnc1N(C)C,XUJIULMHNLOSQC-UHFFFAOYSA-N
-rxn:5:189449:227521:225507,COC(=O)c1cnc(C)c(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)cc2C(=O)N2CC(OC)C2)c1,FTYIPKLZOFKWEC-UHFFFAOYSA-N
-rxn:5:189512:225465:226031,CN1CCC(c2cccc(-c3ccc([N+](=O)[O-])c(S(=O)(=O)c4cccc(-c5ccc(C(F)(F)F)cc5C(F)F)c4)c3)c2)CC1,NRKRYYXDUDEDHG-UHFFFAOYSA-N
-rxn:5:189662:223006:227301,CN(C)Cc1cc(F)ccc1-c1ncc(-c2ccc(F)c(C3CCNCC3)c2)cc1OCC1CCOCC1,UHTFUIHIIFEYDB-UHFFFAOYSA-N
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-rxn:5:189662:225810:227710,COc1ccc(-c2cnc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCOCC3)c2)c(C2OCCO2)c1,UFBREOQDZDASAZ-UHFFFAOYSA-N
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-rxn:5:189662:227710:225810,COc1ccc(-c2ncc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCOCC2)c(C2OCCO2)c1,HMANEAMBSAZPJY-UHFFFAOYSA-N
-rxn:5:189662:227710:226662,CN1CCN(c2ccc(-c3ncc(-c4ccc(OS(C)(=O)=O)cc4)cc3OCC3CCOCC3)s2)CC1,HHYVQADJAHCPRE-UHFFFAOYSA-N
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-rxn:5:189664:225453:227045,CC(C)(C)Sc1cccc(-c2cc(-c3cccc(SC4CCCCC4)c3)ccc2CC(=O)N2CCCC2)c1,RGWAHBSOYCNRNC-UHFFFAOYSA-N
-rxn:5:189665:222988:227710,Cc1cc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)cc(C2CCNCC2)n1,SUCBQRKGNWXNRY-UHFFFAOYSA-N
-rxn:5:189665:225683:227710,Cc1nc(C2CCCOC2)ccc1-c1cnc(OCC2CCOCC2)c(-c2ccc(OS(C)(=O)=O)cc2)c1,FRVZMRAPYXXNOC-UHFFFAOYSA-N
-rxn:5:189665:225805:227710,CC(c1ccc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)s1)N1CCOCC1,HXNLVGHBCMXKBX-UHFFFAOYSA-N
-rxn:5:189665:226662:227710,CN1CCN(c2ccc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)s2)CC1,TVMFBRLGMZPYPT-UHFFFAOYSA-N
-rxn:5:189665:227710:225621,Cc1cc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)ccc1OC1CCOC1,BZOSKPLBLBDDTJ-UHFFFAOYSA-N
-rxn:5:189665:227710:225810,COc1ccc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)c(C2OCCO2)c1,PQZJRYQCUTYZOG-UHFFFAOYSA-N
-rxn:5:189665:227710:226662,CN1CCN(c2ccc(-c3cc(-c4ccc(OS(C)(=O)=O)cc4)cnc3OCC3CCOCC3)s2)CC1,ANSXTZQZXOWHRP-UHFFFAOYSA-N
-rxn:5:189667:226069:226069,CC(C)(C)[S@](=O)/N=C/c1cc(-c2cccc(C3CCCCC3)c2)cc(-c2cccc(C3CCCCC3)c2)c1,YPLSFEXXERSOBB-AGWVKNLESA-N
-rxn:5:189718:226590:223086,O=[N+]([O-])c1cc(-c2cc3[nH]ncc3cc2C(F)(F)F)c(-c2ccc(OC3CCOC3)nc2)cc1OC1CCOCC1,BJFGTPASIJDAKJ-UHFFFAOYSA-N
-rxn:5:189829:226840:223186,COc1c(-c2cc(C#N)nc(C(F)(F)F)c2)cc(C(=O)N2CCCC2)cc1-c1cnn(C2CCCCO2)c1,PZTAPIUVWQMHIT-UHFFFAOYSA-N
-rxn:5:189829:227027:225817,COc1c(-c2ccc(C(F)(F)F)c(C3CC3)c2)cc(C(=O)N2CCCC2)cc1-c1ccccc1C1(C#N)CC1,BMWAHRSXUVDDDH-UHFFFAOYSA-N
-rxn:5:189829:228258:222960,COc1c(-c2cc(C)cc(C3CCNCC3)c2)cc(C(=O)N2CCCC2)cc1-c1c(C)ccc(F)c1OC,AHBWIGHEEFGXBH-UHFFFAOYSA-N
-rxn:5:189910:226395:226664,Fc1cnc(N2CCCC2)cc1-c1ccc(-c2cncc(N3CCCCC3)c2)cc1CCN1CCOCC1,OOYKWUVHUFGIDQ-UHFFFAOYSA-N
-rxn:5:189952:223062:222417,COc1c(-c2cnc(C3CCNCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,PZOJTMIEHHYBHG-UHFFFAOYSA-N
-rxn:5:190127:226605:227943,COC1CCN(C(=O)c2cc(-c3cc(F)c(OC(C)C)cc3F)ccc2-c2cc(C)ccc2N(C)C)CC1,KZCOKCQNVYUTBS-UHFFFAOYSA-N
-rxn:5:190127:226764:225600,COC(=O)c1c(F)ccc(-c2ccc(-c3cccnc3OC3CCCCC3)c(C(=O)N3CCC(OC)CC3)c2)c1F,DXQYAWZSZXVHEO-UHFFFAOYSA-N
-rxn:5:190131:226920:223144,COc1c(-c2ccc(N3CCC(O)C3)cc2)cc(C(=O)N2CCCCC2)cc1-c1cc(C(C)(C)C)ccc1C,XRJRHTXUKBDOLB-UHFFFAOYSA-N
-rxn:5:190177:227297:225622,CN(C)Cc1ccc(F)c(-c2ccc(N3C(=O)CC(Sc4ccc(-c5ccccc5OC5CCCCO5)cc4)C3=O)cc2)c1,AGXIJPHDXUIFEH-UHFFFAOYSA-N
-rxn:5:190194:225598:227592,COc1cc(F)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(CN3CCSCC3)c2)c1OC,PQIRMWONIKLGHH-UHFFFAOYSA-N
-rxn:5:190194:226729:227710,COC1CCN(Cc2cccc(-c3cnc(OC4CCOC4)nc3)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,VCHVIYLDTNQAIK-UHFFFAOYSA-N
-rxn:5:190194:227710:226729,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2cnc(OC3CCOC3)nc2)CC1,NKKSCUVKAWWJBK-UHFFFAOYSA-N
-rxn:5:190195:223113:227684,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2cnn(CC3OCCO3)c2)c1)C1CCOCC1,PJURYUGBYPFFJD-UHFFFAOYSA-N
-rxn:5:190199:222417:223062,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1CN(C)C1CCOCC1,GDOBPNWMLOLSAT-UHFFFAOYSA-N
-rxn:5:190265:226198:225943,CCCn1ncc2cc(-c3cc(CC(=O)N4CCCC(C)C4)ccc3-c3ccc(C(=O)N4CCOCC4)s3)ccc21,SIHUOFNOARIYDF-UHFFFAOYSA-N
-rxn:5:190337:226590:226605,COc1c(-c2ccc(OC3CCOC3)nc2)cc(C(=O)N2CCC(C)CC2)cc1-c1cc(F)c(OC(C)C)cc1F,CMGXSSIGSPIHOS-UHFFFAOYSA-N
-rxn:5:190337:228468:226054,COc1c(-c2cnc(C(F)(F)C(F)(F)F)nc2)cc(C(=O)N2CCC(C)CC2)cc1-c1cncc([N+](=O)[O-])c1C,YQGZDELDQQPYTE-UHFFFAOYSA-N
-rxn:5:190484:226589:226191,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C4CCCC4)ccc3F)S(=O)(=O)CC2)c1,ZCXVMIVIMKORFB-UHFFFAOYSA-N
-rxn:5:190484:226589:226331,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C4(C#N)CC4)cc3F)S(=O)(=O)CC2)c1,UVDAGLGNMSSEKS-UHFFFAOYSA-N
-rxn:5:190484:226589:227823,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccccc3C(C)(C)C)S(=O)(=O)CC2)c1,ANJCAYHOSHTMGG-UHFFFAOYSA-N
-rxn:5:190484:226662:228965,CN1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc([N+](=O)[O-])nc5)S(=O)(=O)CC4)c3)s2)CC1,LCFKVAYHGIHOGV-UHFFFAOYSA-N
-rxn:5:190484:227032:225589,N#Cc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(CN5CCSCC5)cc4)S(=O)(=O)CC3)c2)c1C1CC1,CNUHDEHLHBHCAL-UHFFFAOYSA-N
-rxn:5:190484:227657:228965,O=C(c1cccc(-c2ccc(N3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,VINAGNXEPHCGDY-UHFFFAOYSA-N
-rxn:5:190484:227963:225603,CC(C)(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc(C5(C#N)CCC5)c4F)S(=O)(=O)CC3)c2)ccn1,OTQRUQHWWMVVKR-UHFFFAOYSA-N
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-rxn:5:190712:222985:223064,CCOC(=O)c1c(-c2ccc(C3CCCNC3)nc2C)c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2n1C,AUQIEGZIRGEYAX-UHFFFAOYSA-N
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-rxn:5:190741:225805:226679,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCOCC4)s3)cc(C)cc2c1-c1cnc(N2CCCC2)cc1F,ZSFMNAHVXPXHQK-UHFFFAOYSA-N
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-rxn:5:190742:225784:225592,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1cc(F)ccc1CN1CCCC1,DQPARLNZWFTVLY-UHFFFAOYSA-N
-rxn:5:190742:225849:223062,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cnc(C2CCNCC2)cc1F,BOJUKULSBAZEDF-UHFFFAOYSA-N
-rxn:5:190742:225982:225980,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cc(N2CCOCC2)ncc1F,KRABTCNNOMSCEJ-UHFFFAOYSA-N
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-rxn:5:193231:225454:226441,CN1CC=C(c2ccc(-c3ccc(C(=O)N4CCSCC4)c(-c4ccc(N5CCCC5)cc4F)c3)cc2)CC1,UIIOFSNSVOVRDR-UHFFFAOYSA-N
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-rxn:5:193866:225886:226610,CCc1cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C(F)(F)F)c1,KGBFUHBJOKSKBR-UHFFFAOYSA-N
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-rxn:5:193870:223146:228868,COC(=O)c1ccc(-c2cc(-c3cccc(C4CNCCO4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)s1,DKOOCMNAOKXHSN-UHFFFAOYSA-N
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-rxn:5:193870:227710:226729,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(OC3CCOC3)nc2)cc1-c1ccc(OS(C)(=O)=O)cc1,DPGCSFUCBJDKEF-UHFFFAOYSA-N
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-rxn:5:193871:225514:225616,O=C(c1ccc(-c2ccccc2C(=O)N2CCCC2)c(-c2cccc3c2OCC2(CC2)CO3)c1)N1CCC2(CC1)CC2,OJIWCLYHRBADDG-UHFFFAOYSA-N
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-rxn:5:193871:226437:225671,O=C(c1ccc(-c2cc(C3CCCCC3)ncc2F)c(-c2cc(C3CCCC3)ncc2F)c1)N1CCC2(CC1)CC2,NTHCUKJAUVQHEU-UHFFFAOYSA-N
-rxn:5:193871:226649:225585,O=C(c1ccc(-c2ccccc2CN2CCOCC2)c(-c2cccnc2N2CCOCC2)c1)N1CCC2(CC1)CC2,XJXLFNUYPTULKG-UHFFFAOYSA-N
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-rxn:5:197876:226320:227024,CC(c1cccc(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N(C)C,ATRNQHACDGFOTB-UHFFFAOYSA-N
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-rxn:5:197876:226591:227832,Cc1cc(C2CC2)ccc1-c1cc2c(cc1-c1ccc(OC(C)C)c(F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,WMUBBXVIEDIWSZ-UHFFFAOYSA-N
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-rxn:5:197876:226611:228013,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(F)c(C3CC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,IQEOOBAJVIRMKM-UHFFFAOYSA-N
-rxn:5:197876:226611:228629,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C3CCC3)s1)C(=O)N(C(C)(C)C)S2(=O)=O,JGKWTYAGXHOTFK-UHFFFAOYSA-N
-rxn:5:197876:226664:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cc(N4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,DMAQVSCZVNDHGZ-UHFFFAOYSA-N
-rxn:5:197876:226742:227971,CC(C)(C)c1ccncc1-c1cc2c(cc1-c1ccc(C#N)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,NSXPXAFXWICQKJ-UHFFFAOYSA-N
-rxn:5:197876:226745:225451,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(SC3CCCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,HOAIXDVBPWYBHV-UHFFFAOYSA-N
-rxn:5:197876:226762:226331,CSc1cc(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,UBQCKNIZZIFIPP-UHFFFAOYSA-N
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-rxn:5:197876:226762:227827,CSc1cc(-c2cc3c(cc2-c2cc(C4CC4)ccc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,VRJZTJJDHSPYSR-UHFFFAOYSA-N
-rxn:5:197876:226762:228002,CSc1cc(-c2cc3c(cc2-c2sccc2C2CCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,DTHBAPMIQHKUQY-UHFFFAOYSA-N
-rxn:5:197876:226762:228361,CSc1cc(-c2cc3c(cc2-c2cc(N(C)C)ncc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,MFCISKRELJTPIX-UHFFFAOYSA-N
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-rxn:5:197876:226848:227904,CCN(C)c1ccc(-c2cc3c(cc2-c2ccc(OC)nc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,BPVSPYGATZNRDF-UHFFFAOYSA-N
-rxn:5:197876:226867:227944,CC(C)(C)c1cncc(-c2cc3c(cc2-c2c(F)cccc2OC(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KSQREXCQFOKKFS-UHFFFAOYSA-N
-rxn:5:197876:226891:227412,CC(C)(C)c1cc(F)c(-c2cc3c(cc2-c2cc(C(F)(F)F)cc(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,ABUSVLTULPJENH-UHFFFAOYSA-N
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-rxn:5:197876:226917:227792,Cc1cc(-c2cc3c(cc2-c2ccnc(C(F)(F)F)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,DJRGTSDNPFJRDW-UHFFFAOYSA-N
-rxn:5:197876:226946:226191,CN1CCc2cc(-c3cc4c(cc3-c3cc(C5CCCC5)ccc3F)C(=O)N(C(C)(C)C)S4(=O)=O)ccc2C1,IRQTWGVJNPAKSB-UHFFFAOYSA-N
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-rxn:5:197876:227052:226437,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,IKZIOMVYDISEAR-UHFFFAOYSA-N
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-rxn:4:175346:223892,CN1CCN(CCCOc2ccc(-c3ccc(OCCC4OCCO4)c(F)c3)cc2)CC1,SKHRMYQWVCBJHI-UHFFFAOYSA-N
-rxn:4:175377:223767,CC(C)(C)OC(=O)n1c(-c2ccc(C(C)(OS(C)(=O)=O)C(F)(F)F)cc2)cc2ccc(C#N)cc21,VOARDUQQZNUYBM-UHFFFAOYSA-N
-rxn:4:175377:223774,COc1cccc2c1cc(-c1ccc(C(C)(OS(C)(=O)=O)C(F)(F)F)cc1)n2C(=O)OC(C)(C)C,RMZAVPRHKYUUKA-UHFFFAOYSA-N
-rxn:4:175415:223958,CCOC(=O)C1OC1(C)c1cccc(-c2ccc(C(=O)N3CCN(CC)CC3)c(F)c2)c1,QCYGXGQVGJCWSC-UHFFFAOYSA-N
-rxn:4:175718:223583,COC(=O)c1ccc2c(-c3ccc(OCC(F)F)c(C(C)(C)C)c3)cn(C(=O)OC(C)(C)C)c2c1,RZMCZAMSMQVZND-UHFFFAOYSA-N
-rxn:4:175973:224285,Fc1cc(OCCN2CCOCC2)ccc1-c1cc(OCCC2CCCCC2)ccc1F,HUOJZUYEMNEQJK-UHFFFAOYSA-N
-rxn:4:176102:223481,Cc1cc(OCCC2OCCCO2)cc(C)c1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,ZNRKKHIQIRXUBY-UHFFFAOYSA-N
-rxn:4:176104:222804,CC(=O)c1cccc(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)c1OCC1CCCCC1,UTDAPTKJPBCBOB-UHFFFAOYSA-N
-rxn:4:176168:225747,Cc1ccc(-c2cc(F)c([Si](C(C)C)(C(C)C)C(C)C)c(F)c2)n1C(=O)OC(C)(C)C,BHKRYRGPHLYDJX-UHFFFAOYSA-N
-rxn:4:176237:223501,CC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc1)C2=O,SNLFLUHXUUYULE-UHFFFAOYSA-N
-rxn:4:176294:223957,CC(C)(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c3)c1)C2=O,KJLZJFSEIPAJNX-UHFFFAOYSA-N
-rxn:4:176308:223115,CC(=O)NCCc1ccc(-c2ccccc2C=C2Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)cc1,ZZIILMAKXZALSJ-UHFFFAOYSA-N
-rxn:4:176322:228077,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc3c(c2)C(=O)OC3)C(C)(C)CC1(CC)CC,BJDXWHDHNFFFOU-UHFFFAOYSA-N
-rxn:4:176471:223497,CSc1cccc(OC(F)F)c1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,FEXICBCDRWJYIR-UHFFFAOYSA-N
-rxn:4:176517:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cc(C(F)(F)F)cc(F)c2C(=O)C(F)(F)F)C1,YEMHUOAXXGDVOK-UHFFFAOYSA-N
-rxn:4:176702:223814,COC(=O)c1cccc(C(F)(F)F)c1-c1ccc(CN2CCC3(CC2)OCCO3)cc1F,XFHOPRKOFDMQDL-UHFFFAOYSA-N
-rxn:4:176710:224408,CSc1ccc(-c2cc(C(F)(F)F)nn2C(=O)OC(C)(C)C)c(C(=O)C(F)(F)F)c1F,ONGSWLLCJLJQMS-UHFFFAOYSA-N
-rxn:4:176720:224360,COC(=O)c1c(-c2ccc(C(=O)OC)n2C(=O)OC(C)(C)C)ccc(C(F)(F)F)c1F,SZXNVKLLCMWACM-UHFFFAOYSA-N
-rxn:4:176845:223526,COC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(SC)c1,OEMPUTQSSOZFEK-UHFFFAOYSA-N
-rxn:4:177119:223534,CO/C=C/c1cc(OC)ccc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,NGZLBRKMSZHJKB-JLHYYAGUSA-N
-rxn:4:177857:223970,COC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc(C2(C)CC2(F)F)c1,KERMFPBEZGRCIJ-UHFFFAOYSA-N
-rxn:4:177891:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3Cl)c(F)ccc21,BEFCYOBTVJOOJJ-UHFFFAOYSA-N
-rxn:4:178089:223776,Cc1ccc(OC(=O)C(C)(C)C)c(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1,SMBIPWZPQDUGKV-UHFFFAOYSA-N
-rxn:4:178154:224974,CN1CCN(Cc2ccccc2-c2c(F)c(F)c(COC3CCCCO3)c(F)c2F)CC1,WMZKRGPWFGPZDT-UHFFFAOYSA-N
-rxn:4:178180:223993,COc1c(OC2CCCCO2)cccc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,YQSMFYXIGIIZNJ-UHFFFAOYSA-N
-rxn:4:178269:222770,O=C(NC1CCCC1)c1ccc(-c2ccc(OC3CCCCC3)c(C(F)(F)F)c2)cc1Cl,JHLTVDWMAXWNKE-UHFFFAOYSA-N
-rxn:4:178323:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(F)c2F)c1,UTGOXYRJKOEWLX-UHFFFAOYSA-N
-rxn:4:178381:224592,CC(C)(C)c1cc(C(C)(C)C)c(-c2cc(C3(C#N)CCCCC3)ccc2F)c(C(C)(C)C)c1,YPQKADGIMJJANR-UHFFFAOYSA-N
-rxn:4:178384:225979,Clc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cnc1N1CCOCC1,QFRFWLZZLUGNBX-UHFFFAOYSA-N
-rxn:4:178384:227939,COC(C)c1ccccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,KGNNHVCVVLWJNV-UHFFFAOYSA-N
-rxn:4:178384:228184,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1SC,LBUJAPOJGPWDEI-UHFFFAOYSA-N
-rxn:4:178384:228416,COc1cc(F)cc(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,UFTIEJUDEUPFRT-UHFFFAOYSA-N
-rxn:4:178384:228908,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)cn1,YAGOPAUCLRMQLG-UHFFFAOYSA-N
-rxn:4:178384:229266,Cc1nc(C)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)o1,UHDUTPSKEIKNIW-UHFFFAOYSA-N
-rxn:4:178594:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cc(Cl)c(OCC45CC6CC(CC(C6)C4)C5)cc3F)cc12,XKFKVYVVMCBGFT-UHFFFAOYSA-N
-rxn:4:178597:223207,CCc1n[nH]c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cc12,HYLIJKMPXAOGDA-UHFFFAOYSA-N
-rxn:4:178597:223457,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)[nH]n1,DICWRACZPBVLPE-UHFFFAOYSA-N
-rxn:4:178597:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cn2)C1,PJMPBVSLJNASRI-UHFFFAOYSA-N
-rxn:4:178597:225506,CC(C)Cn1ncc2cc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)ccc21,AHFUJRQIECQZKI-UHFFFAOYSA-N
-rxn:4:178597:229026,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c(C)cn1,XUARYNYTSUOLGP-UHFFFAOYSA-N
-rxn:4:179613:223598,COc1cc(S(C)(=O)=O)ccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1,YYCOOWQSTPXHMI-UHFFFAOYSA-N
-rxn:4:179637:223699,O=S(=O)(c1ccc(-c2ccc(C(F)(F)F)c(C3CC3)c2)c(C(F)(F)F)c1)N1CCOCC1,AAWXTSUSTUXWDF-UHFFFAOYSA-N
-rxn:4:180028:223813,COc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)cc(F)c1C1OCCO1,XNOOPLKJNCKYOV-UHFFFAOYSA-N
-rxn:4:180391:223840,COc1ccc(-c2cc(C3CC3)ccc2C2CCCO2)cc1S(=O)(=O)N1CCN(C)CC1,PVDSYOLJPBDPGC-UHFFFAOYSA-N
-rxn:4:180485:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCOCC4)cc(C4CC4)c3)cc2)CC1,CJMGBNRMCHFXAG-UHFFFAOYSA-N
-rxn:4:180486:223834,Cc1cc(-c2cc(C3CC3)ccc2C2CCOCC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,FUQNZECJFMKOTE-UHFFFAOYSA-N
-rxn:4:180486:223992,Cc1ccc(-c2cc(C3CC3)ccc2C2CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1,RAHFPXHSZNLBNW-UHFFFAOYSA-N
-rxn:4:180486:223993,Cc1cc(-c2cc(C3CC3)ccc2C2CCOCC2)ccc1S(=O)(=O)N1CCN(C)CC1,BVHRWQNFMBCURF-UHFFFAOYSA-N
-rxn:4:180486:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C2CC2)ccc1C1CCOCC1,PCORMXSAAIHGTR-UHFFFAOYSA-N
-rxn:4:180487:223834,Cc1cc(-c2ccc(C3CC3)cc2C2CCOCC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,DBKWXJUAYGYDRK-UHFFFAOYSA-N
-rxn:4:180487:223992,Cc1ccc(-c2ccc(C3CC3)cc2C2CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1,HDFHXBGDHKQXBD-UHFFFAOYSA-N
-rxn:4:180487:223993,Cc1cc(-c2ccc(C3CC3)cc2C2CCOCC2)ccc1S(=O)(=O)N1CCN(C)CC1,SRSGRTBKEFUFBN-UHFFFAOYSA-N
-rxn:4:180487:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2CC2)cc1C1CCOCC1,ZSZOYAZBJODCBR-UHFFFAOYSA-N
-rxn:4:180488:223992,Cc1ccc(-c2ccc(C3CC3)c(C3CCCOC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,GUFUHBOMKBWWGX-UHFFFAOYSA-N
-rxn:4:180488:223993,Cc1cc(-c2ccc(C3CC3)c(C3CCCOC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,QXVWLROBTVGDEK-UHFFFAOYSA-N
-rxn:4:180490:223992,Cc1ccc(-c2ccc(C3CCOCC3)c(C3CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,JPKKOPSEQZZIJO-UHFFFAOYSA-N
-rxn:4:180491:223834,Cc1cc(-c2ccc(C3CCOCC3)cc2C2CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,BEMRJZICEONQCU-UHFFFAOYSA-N
-rxn:4:180491:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCOCC4)cc3C3CC3)cc2)CC1,DXHPFZNLTOSDQP-UHFFFAOYSA-N
-rxn:4:180491:223992,Cc1ccc(-c2ccc(C3CCOCC3)cc2C2CC2)cc1S(=O)(=O)N1CCN(C)CC1,SCMYXFVFVUDXBV-UHFFFAOYSA-N
-rxn:4:180491:223993,Cc1cc(-c2ccc(C3CCOCC3)cc2C2CC2)ccc1S(=O)(=O)N1CCN(C)CC1,SSFFACNEQMKANE-UHFFFAOYSA-N
-rxn:4:180491:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2CCOCC2)cc1C1CC1,BJSYVIRRWMWRDA-UHFFFAOYSA-N
-rxn:4:180492:223834,Cc1cc(-c2cc(C3CCCOC3)ccc2C2CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,BZIIAELPEDCHAA-UHFFFAOYSA-N
-rxn:4:180492:223992,Cc1ccc(-c2cc(C3CCCOC3)ccc2C2CC2)cc1S(=O)(=O)N1CCN(C)CC1,OMPQANSYIIPZLC-UHFFFAOYSA-N
-rxn:4:180492:223993,Cc1cc(-c2cc(C3CCCOC3)ccc2C2CC2)ccc1S(=O)(=O)N1CCN(C)CC1,MDIHJWPRVSXETA-UHFFFAOYSA-N
-rxn:4:180492:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C2CCCOC2)ccc1C1CC1,MNUJODHAYHXDSD-UHFFFAOYSA-N
-rxn:4:180495:223834,Cc1cc(-c2cc(C3CCOCC3)ccc2C2CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,GVGNLRJIIVEZND-UHFFFAOYSA-N
-rxn:4:180495:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCOCC4)ccc3C3CC3)cc2)CC1,CDDGWHLLTPNXJL-UHFFFAOYSA-N
-rxn:4:180495:223992,Cc1ccc(-c2cc(C3CCOCC3)ccc2C2CC2)cc1S(=O)(=O)N1CCN(C)CC1,NSGAFBGVQIRHTQ-UHFFFAOYSA-N
-rxn:4:180495:223993,Cc1cc(-c2cc(C3CCOCC3)ccc2C2CC2)ccc1S(=O)(=O)N1CCN(C)CC1,CREVDFSQJHCFGJ-UHFFFAOYSA-N
-rxn:4:180495:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C2CCOCC2)ccc1C1CC1,MCPYNXHEBJTQIR-UHFFFAOYSA-N
-rxn:4:180497:223992,Cc1ccc(-c2ccc(C3CCCOC3)c(C3CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,IZLMGICDFOBSLW-UHFFFAOYSA-N
-rxn:4:180497:223993,Cc1cc(-c2ccc(C3CCCOC3)c(C3CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,DYVQCQVVGRJDRF-UHFFFAOYSA-N
-rxn:4:180497:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2CCCOC2)c(C2CC2)c1,WZABWJHEBILMAS-UHFFFAOYSA-N
-rxn:4:180498:223834,Cc1cc(-c2ccc(C3CCCOC3)cc2C2CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,OWFNJKZLHLQBDK-UHFFFAOYSA-N
-rxn:4:180498:223992,Cc1ccc(-c2ccc(C3CCCOC3)cc2C2CC2)cc1S(=O)(=O)N1CCN(C)CC1,FKPUBTRGMQGLIE-UHFFFAOYSA-N
-rxn:4:180498:223993,Cc1cc(-c2ccc(C3CCCOC3)cc2C2CC2)ccc1S(=O)(=O)N1CCN(C)CC1,GPCCDNAKNNIZSX-UHFFFAOYSA-N
-rxn:4:180498:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2CCCOC2)cc1C1CC1,HKHPRUOTTQETNQ-UHFFFAOYSA-N
-rxn:4:180499:223834,Cc1cc(-c2ccc(C3CC3)cc2C2CCCOC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,WJPDULOAXFWHIR-UHFFFAOYSA-N
-rxn:4:180499:223992,Cc1ccc(-c2ccc(C3CC3)cc2C2CCCOC2)cc1S(=O)(=O)N1CCN(C)CC1,IUDIAYYYVMLXLH-UHFFFAOYSA-N
-rxn:4:180499:223993,Cc1cc(-c2ccc(C3CC3)cc2C2CCCOC2)ccc1S(=O)(=O)N1CCN(C)CC1,ZHDXPQGOJCBQFL-UHFFFAOYSA-N
-rxn:4:180499:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2CC2)cc1C1CCCOC1,JGQOJWVFPQTKNE-UHFFFAOYSA-N
-rxn:4:180503:223834,Cc1cc(-c2cc(C3CC3)ccc2C2CCCOC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,TUCLEYRGNATNIB-UHFFFAOYSA-N
-rxn:4:180503:223992,Cc1ccc(-c2cc(C3CC3)ccc2C2CCCOC2)cc1S(=O)(=O)N1CCN(C)CC1,AQURMUOQCKRGDR-UHFFFAOYSA-N
-rxn:4:180503:223993,Cc1cc(-c2cc(C3CC3)ccc2C2CCCOC2)ccc1S(=O)(=O)N1CCN(C)CC1,UXPPZWYTSCOTTN-UHFFFAOYSA-N
-rxn:4:180503:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C2CC2)ccc1C1CCCOC1,NPZBUAGUYWMSQM-UHFFFAOYSA-N
-rxn:4:180527:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cc2)CC1,OLGMWHRWRTWNDN-UHFFFAOYSA-N
-rxn:4:180585:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3c(OC(F)F)ccc4ccccc34)c(F)c2)CC1,IXSONMIUYDUKFM-UHFFFAOYSA-N
-rxn:4:181407:223497,CC(c1ccc(-c2ccc(Cl)c(C3CC3)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,GOUISSYLLKKEAL-UHFFFAOYSA-N
-rxn:4:181807:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C2(C)CCO2)cc1,CVYBJXDSBSDLMS-UHFFFAOYSA-N
-rxn:4:182005:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C4CCCCO4)cc3)c(F)c2)CC1,JHJUOHTUKWOKRT-UHFFFAOYSA-N
-rxn:4:182022:223522,Cc1ccc(C(C)(C)C)cc1-c1cc(F)cc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)c1,FPDWLMONZQDRJD-UHFFFAOYSA-N
-rxn:4:182352:222613,CCCNS(=O)(=O)c1ccc(-c2cc3c(cc2OC)C(C)(C)C(=O)CC3)c(C(F)(F)F)c1,RVTOKNNDZFQCCT-UHFFFAOYSA-N
-rxn:4:182354:223811,COc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c2c1OC1(CCCC1)C2,BOTIOIAKSBDQAH-UHFFFAOYSA-N
-rxn:4:182896:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c4c3CCC4)c(F)c2)CC1,AHFYIXIBHISYKO-UHFFFAOYSA-N
-rxn:4:183128:222439,O=C1CCCOc2cc(F)c(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc21,MODJJIZRDIVASN-UHFFFAOYSA-N
-rxn:4:183274:223461,Cc1[nH]ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,SCIJZBNZKQIACX-UHFFFAOYSA-N
-rxn:4:183274:227619,Cc1cnn(-c2csc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)c2)c1,YGFYWMNCOSKBHM-UHFFFAOYSA-N
-rxn:4:183486:223492,CCOC(=O)Cc1cc(C(F)F)cc(C#N)c1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,XSMLNFUOVINOQV-UHFFFAOYSA-N
-rxn:4:183597:224365,CCCCOc1cc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N(C)C)cc(C(F)(F)F)c1F,OSYLAMQRUOZTAX-UHFFFAOYSA-N
-rxn:4:183641:225390,CC(C)Cc1cc(-c2cccc(OCCC(=O)ON3C(=O)CCC3=O)c2)cc(C2CC2)c1,NIJBCIVNJVMDBC-UHFFFAOYSA-N
-rxn:4:183666:222905,COC(=O)C(Oc1cccc([N+](=O)[O-])c1-c1cccnc1NC(=O)OC(C)(C)C)C(C)C,XCGCBXSGHMSQAC-UHFFFAOYSA-N
-rxn:4:183668:222905,CC(C)(C)OC(=O)Nc1ncccc1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1,FVUGIJXQBUKBGC-UHFFFAOYSA-N
-rxn:4:183668:225044,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)cc1,VTRDKRCHDFIWPJ-UHFFFAOYSA-N
-rxn:4:183671:224377,CCN(CC)S(=O)(=O)c1ccc(OC(F)(F)F)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,XPQYPTUCXHNMFL-UHFFFAOYSA-N
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-rxn:4:185020:223866,CC(C)N(C(=O)Cc1ccccc1-c1ccccc1CN1C(C)(C)CCCC1(C)C)C(C)C,DLDSIPYYGMLYNV-UHFFFAOYSA-N
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-rxn:4:185114:223857,CCCCn1c2ccccc2c2cc(-c3ccc(S(=O)(=O)CC(=O)N4CCC(C(F)(F)F)CC4)cc3)ccc21,NKYNMGHCHDVTLB-UHFFFAOYSA-N
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-rxn:4:185148:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)c(F)c1,KDWBLCZEBWLQKU-UHFFFAOYSA-N
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-rxn:4:185166:223808,COc1ccc(COc2ccc(-c3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc3C(F)(F)F)c(F)c2F)cc1,IKYSPXIELOVFTI-UHFFFAOYSA-N
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-rxn:4:185200:224078,COC(=O)c1ccc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)c(CN2CCC(OC)CC2)c1,RECFVGSVHAZQQE-UHFFFAOYSA-N
-rxn:4:185200:225919,COCc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)OC)cc1CN1CCC(OC)CC1,AAPVUMBKFUCEJL-UHFFFAOYSA-N
-rxn:4:185204:222676,COc1ccc(-c2cc(F)ccc2CNC(=O)OC(C)(C)C)cc1C1CN(C(=O)OC(C)(C)C)C1,CBJHKCGELRTPTO-UHFFFAOYSA-N
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-rxn:4:185224:223041,COc1cc(-c2cc(C(=O)NC3CC3)ccc2F)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,UKCBJTFXMQJWIO-UHFFFAOYSA-N
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-rxn:4:185255:225805,COc1ccccc1C(=O)N(c1ccc(-c2ccc(C(C)N3CCOCC3)s2)cc1)C1C=CS(=O)(=O)C1,KMUGQOSSCLOZEC-UHFFFAOYSA-N
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-rxn:4:185264:222479,Cc1ccc(CNC(=O)c2cc(F)cc(-c3ccc(C4CN(CC(=O)OC(C)(C)C)C(=O)CO4)cc3)c2)cc1,XZIGOINKYVBLSG-UHFFFAOYSA-N
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-rxn:4:185379:226056,CC(C)(C)OC(=O)N1CCC(C(F)(F)c2cccc(-c3c4c(cc5c3CCC5)CCC4)c2)CC1,PNOUVBLXFMSRAE-UHFFFAOYSA-N
-rxn:4:185397:225445,O=C(Cc1ccc(-c2ccccc2OC2CCCCC2)cc1)N1CCCC(S(=O)(=O)c2ccc(F)cc2)C1,FJYGYOUYQUAMRA-UHFFFAOYSA-N
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-rxn:4:185438:223510,CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cc3)cc21,TWELRSCFMALZOV-UHFFFAOYSA-N
-rxn:4:185440:222511,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(C(=O)NC4CCCCC4)cc([N+](=O)[O-])c3)c(F)c2)CC1,FXUXPOKBXRAQOT-UHFFFAOYSA-N
-rxn:4:185461:223748,CCOC(=O)c1cnc2cc(OCC)c(-c3cc(N4CCCCC4)cc(N4CCCCC4)c3)cc2c1Cl,GLPGMNOPTMIXDE-UHFFFAOYSA-N
-rxn:4:185494:224257,COC(=O)c1ccc2c(c1)c(-c1cc(C(=O)N3CCCCC3C)ccc1Cl)cn2C(=O)OC(C)(C)C,NDBUMFRJIDGPNL-UHFFFAOYSA-N
-rxn:4:185497:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc3c(c2)C(=O)C(=O)N3CCOc2ccccc2OC)c1,XTFXYYSFVCTELW-UHFFFAOYSA-N
-rxn:4:185525:224015,Cc1cc(F)c(-c2ccc(S(=O)(=O)N(C(=O)C(C)C)c3ccc4oc(=O)sc4c3)cc2)cc1S(=O)(=O)N1CCOCC1,NNPPOLLUYNKMPH-UHFFFAOYSA-N
-rxn:4:185540:222720,COc1ccc(-c2ccc(N3CCNCC3)cc2C(F)(F)F)cc1C=C1Oc2cc(OC(=O)N(C)C)ccc2C1=O,YVQNWZMAZZXPSN-UHFFFAOYSA-N
-rxn:4:185544:222826,COC1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,GEBGHNQKEMXVRK-UHFFFAOYSA-N
-rxn:4:185587:225318,O=C(C1CCCCC1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(-c2c(F)cc(N3CCOCC3)cc2F)cc1,UITYTEASCHDIPZ-UHFFFAOYSA-N
-rxn:4:185589:222549,COc1ccc(-c2cnc(NCC(=O)c3ccccc3)c(C)c2)cc1C=C1Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O,MCUZZEMYHCBGKJ-UHFFFAOYSA-N
-rxn:4:185597:224807,Cc1c(C(=O)N(Cc2ccc(Cl)cc2)C2CCS(=O)(=O)C2)oc2ccc(-c3cc(C(F)(F)F)cc(OC(C)C)c3F)cc12,IUBRDBDNSINJRD-UHFFFAOYSA-N
-rxn:4:185601:223683,Cc1c(C(=O)N(Cc2ccccc2F)C2CCS(=O)(=O)C2)oc2cc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)ccc12,XWIAPSOTQYZKHJ-UHFFFAOYSA-N
-rxn:4:185603:224660,Cc1c(C(=O)N(Cc2cccc(F)c2)C2CCS(=O)(=O)C2)oc2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cc12,OXVULVGIIHHTSQ-UHFFFAOYSA-N
-rxn:4:185617:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2ccc(C(=O)Oc3ccc4c(c3)OC(=Cc3cn(CC)c5ccccc35)C4=O)cc2)c1,NCDOIENGSQJFOG-UHFFFAOYSA-N
-rxn:4:185886:223568,COC(=O)c1ccc(C(F)F)c(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)c1C#N,FINYHXPRYQRFFO-UHFFFAOYSA-N
-rxn:4:186236:223525,COOC(=O)c1cc(-c2ccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)no1,MCWFUZWHQPANET-UHFFFAOYSA-N
-rxn:4:186263:223500,CC(C)COc1cc(C#N)ccc1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,ZWCZXJTVNRAVPH-UHFFFAOYSA-N
-rxn:4:186278:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(OC(F)F)cc(C(=O)N(C)C)c2)c(Cl)c1,WCBOEASTJPJFFO-UHFFFAOYSA-N
-rxn:4:186454:223812,CCN(CC)C(=O)c1cccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1F,IFTOIHPFALYLCU-UHFFFAOYSA-N
-rxn:4:186815:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3OC(F)(F)F)cn2)C1,FNTYUBXTSSGATC-UHFFFAOYSA-N
-rxn:4:186861:222546,Cc1cc(CN(C)C(=O)C2CC2)cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1,SJSDZHCCOQKDPH-UHFFFAOYSA-N
-rxn:4:186909:224657,CC(C)(C)S(=O)/N=C/c1ccc(C(F)(F)F)cc1-c1cccc(O[Si](C)(C)C(C)(C)C)c1F,DPYOBOHRNAQTPA-WKULSOCRSA-N
-rxn:4:186921:223750,CC(C)(C)[Si](C)(C)Oc1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)ccc2cccnc12,AKTLCCSACKJWLM-UHFFFAOYSA-N
-rxn:4:186922:222441,CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(OC(F)(F)F)c3)cc2)cc1,HDFJTJMYUCEHFU-UHFFFAOYSA-N
-rxn:4:186963:224485,COc1ccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c(/C=N/S(=O)C(C)(C)C)c1,RVDKADFBZFGKJB-WGOQTCKBSA-N
-rxn:4:186980:224654,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(OC(F)F)cc(C(=O)N3CCCCC3)c2)ccc1F,NUAITFIQBBLCOX-UHFFFAOYSA-N
-rxn:4:186992:223812,O=C(CS(=O)(=O)c1ccccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1)N1CCOCC1,DHNJPIFTBBBDHK-UHFFFAOYSA-N
-rxn:4:186998:225166,N#Cc1cc(-c2ccc(C(=O)N3CCCC3)c(F)c2)ccc1OCC1CCC(F)(F)CC1,YPRWWQPPXYHWNZ-UHFFFAOYSA-N
-rxn:4:187000:224462,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cc2)C1,TUPACESRRRDEKX-UHFFFAOYSA-N
-rxn:4:187000:224849,COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCCC4)cc(C4CC4)c3)cc2)C1,USFCOBLBPJHDOO-UHFFFAOYSA-N
-rxn:4:187046:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(CN2CCC2)ccc1OC(C)C,VNDDSGQGHPLYDA-UHFFFAOYSA-N
-rxn:4:187051:224834,CC(C)N(C(=O)c1cc(F)ccc1-c1cn(S(=O)(=O)N(C)C)nc1C(F)(F)F)C(C)C,ARWGPCXGDNKUDM-UHFFFAOYSA-N
-rxn:4:187076:222723,COc1cc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc(OC)c1C(=O)N1CCCC1,CKNQWBKELPROKI-UHFFFAOYSA-N
-rxn:4:187091:225990,CCCCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1,OPCHTUGVHHYIDJ-UHFFFAOYSA-N
-rxn:4:187124:224780,CCOc1ccc(-c2ccc(C3CCOC3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1,VSCDKZBYAHAVPC-UHFFFAOYSA-N
-rxn:4:187131:223572,COc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)cc(OC)c1CN1CCC(F)(F)C1,BRWWXPCGTQGEFG-UHFFFAOYSA-N
-rxn:4:187174:224647,Cc1cc(OCC(=O)N2CCCC2)cc(C)c1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1F,PPLYWWYWHQLLRR-UHFFFAOYSA-N
-rxn:4:187215:223587,COc1cc(COc2ccc(F)c(-c3ccc(F)cc3CC(=O)N3CCC(OC)CC3)c2F)cc(OC)c1,JDIWHGUKOOTFOP-UHFFFAOYSA-N
-rxn:4:187229:223504,COc1cc(S(=O)(=O)N2CCOCC2)c(OC)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,CSTMCDLIDJVBLR-UHFFFAOYSA-N
-rxn:4:187230:222960,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(C)cc(C3CCNCC3)c2)CC1,DEHGRHJYGABUCX-UHFFFAOYSA-N
-rxn:4:187244:225542,CCCCCc1ccc(-c2ccc(F)cc2CCN2CCCC(C(F)(F)F)C2)c(F)c1F,WSKLSIDKSNSGIG-UHFFFAOYSA-N
-rxn:4:187276:223191,CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc1F,VBFNVRYUDQGLRV-UHFFFAOYSA-N
-rxn:4:187295:222654,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1,RMRQPPXBBUBJJA-UHFFFAOYSA-N
-rxn:4:187300:224656,COc1ccc(-c2ccc(OCCN3CCC(C)CC3)c(Cl)c2)c(F)c1OC1CCCC1,MJTKGZRGGCJTHX-UHFFFAOYSA-N
-rxn:4:187326:224146,COc1cc(-c2c(C)cc(O[Si](C)(C)C(C)(C)C)cc2C)cc(OC)c1C(=O)N1CCC(F)CC1,DMCMQXRDXVCZQE-UHFFFAOYSA-N
-rxn:4:187336:224318,COc1cc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)cc(OC)c1C(=O)N1CCCC(F)(F)C1,ABNHFKBEAXJXAF-UHFFFAOYSA-N
-rxn:4:187339:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(C(=O)c4ccc(CN5CC=CC5)cc4)c(F)c3)c2)CC1,NYTPKACHMYWCBG-UHFFFAOYSA-N
-rxn:4:187370:224191,CCN(C(=O)c1cc(Cl)cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2OC)c1)C1CCCCC1,KBBMKRLQZIYIFE-UHFFFAOYSA-N
-rxn:4:187383:224609,CC(C)N(C(=O)c1ccncc1-c1ccc(C2CC(=O)CN2C(=O)OC(C)(C)C)cc1)C(C)C,AICBAZFYBDJXRK-UHFFFAOYSA-N
-rxn:4:187423:225101,CCN(CC)C(=O)c1cc(-c2ccc(C(=O)OC)c(CN3CCCCC3C)c2)ccc1Cl,DKEDXRSQWZBXAK-UHFFFAOYSA-N
-rxn:4:187475:224552,CCC1CCCCN1c1ccc(-c2cc(F)cc(COC3CCCCC3)c2)cc1COC,YEYFNUBQSZPGDH-UHFFFAOYSA-N
-rxn:4:187489:223003,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(Cl)c(C2CCNCC2)c1,ULBUOJFCTBFRQB-UHFFFAOYSA-N
-rxn:4:187489:223006,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(F)c(C2CCNCC2)c1,RMAIULUCVYAWQH-UHFFFAOYSA-N
-rxn:4:187490:223008,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cc(C2CCNCC2)ccc1F,PRXJYLRIJPCNEC-UHFFFAOYSA-N
-rxn:4:187496:225347,CC(C)Oc1ncc(-c2ccc(C3COCCN3C(=O)OC(C)(C)C)cc2)cc1C(F)(F)F,SCRTVEDVNZBIGO-UHFFFAOYSA-N
-rxn:4:187532:224414,O=C(c1ccc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1F)c1ccccc1CN1CCSCC1,XIJLFLPCONQACI-UHFFFAOYSA-N
-rxn:4:187547:223891,CCN(C(=O)c1ccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)c(C)c1)C1CCCCC1,UZSPVWIVEFPZAU-UHFFFAOYSA-N
-rxn:4:187552:226448,CCOc1ccc(-c2cnc(Cl)c(C3CCCC3)c2)cc1S(=O)(=O)N1CC(C)OC(C)C1,JYKQQAFXKHLYNO-UHFFFAOYSA-N
-rxn:4:187560:225567,Cc1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3=O)cc2)ccc1C(=O)OC(C)C,DAWPRQYDPCUICC-UHFFFAOYSA-N
-rxn:4:187561:224786,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cc(-c3cc(C(F)(F)F)nc4ccc(F)cc34)ccc2Cl)C1,VMMBTRSPWLGKKM-UHFFFAOYSA-N
-rxn:4:187578:224361,CCN(CC)S(=O)(=O)c1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C)c2)ccc1OC,GGMBBRPRXHJFSY-UHFFFAOYSA-N
-rxn:4:187585:226888,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)cc(-c3cc(Cl)c(F)c(C(F)(F)F)c3)c2)C1,HLXFNMNGWDRPTI-UHFFFAOYSA-N
-rxn:4:187589:224612,CC(C)(C)OC(=O)N1CCCC(c2ccc(F)c(-c3ccc(OCCN4CCOCC4)cc3)c2)C1,RUDJTFLXNPYAGJ-UHFFFAOYSA-N
-rxn:4:187592:226513,COC(=O)c1cc(C#N)cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c1,XKTMMCIJWHYTHA-UHFFFAOYSA-N
-rxn:4:187597:226873,O=C(c1cccc(-c2cccc(Cl)c2OC(F)(F)F)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,NWYWUOKHJBOZDM-UHFFFAOYSA-N
-rxn:4:187615:224081,CC(C)(C)[Si](C)(C)OCCc1ccccc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1,BKOYWSRIFIFFGT-UHFFFAOYSA-N
-rxn:4:187632:223883,CC(C)(C)OC(=O)N1CCOC(C)(c2ccc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)cc2)C1,CQLVTZKWKAHZIP-UHFFFAOYSA-N
-rxn:4:187648:223105,CNS(=O)(=O)c1cc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)c(F)cc1C,HPPTUPPTNVRMTB-UHFFFAOYSA-N
-rxn:4:187651:224722,COc1ccc(-c2ccnc(N(C)C(=O)OC(C)(C)C)c2)c(C(=O)N2CCSC(c3ccccc3F)CC2)c1,YGAVOJDVEJYRTB-UHFFFAOYSA-N
-rxn:4:187656:222894,CCCCS(=O)(=O)Nc1cccc(-c2cc(C)c(S(=O)(=O)N(CC)C3CCCCC3)cc2C)c1,BXNTZUXVZIREEK-UHFFFAOYSA-N
-rxn:4:187657:226781,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)cc1-c1cc(C)cc(OC(F)(F)F)c1,NOOQJTNKTIEOPE-UHFFFAOYSA-N
-rxn:4:187658:226767,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2cc(OC)ccc2C(F)(F)F)c(C)cc1C,BSWOLBNGCDGYHO-UHFFFAOYSA-N
-rxn:4:187669:222629,CC(C)(C)OC(=O)N1CCCC(C)(c2ccc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)cc2)C1,ZBVVQUUNIBXMNZ-UHFFFAOYSA-N
-rxn:4:187672:225928,Cc1ccc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(C)(C)C)c2)cc1S(=O)(=O)N(C)C,WIJHMTJNVCNINA-UHFFFAOYSA-N
-rxn:4:187672:226026,CN(C)S(=O)(=O)c1ccc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(C)(C)C)c2)cc1F,AVFLQYGIZKVICY-UHFFFAOYSA-N
-rxn:4:187686:222967,CC(C)CNC(=O)c1cccc(-c2cccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)c2)c1,HNANCZINLWJUDT-UHFFFAOYSA-N
-rxn:4:187691:222677,CC(C)(C)OC(=O)NCc1cc(F)ccc1-c1ccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)c(F)c1,DIQXRBYYGMFKEB-UHFFFAOYSA-N
-rxn:4:187691:224782,CN1CCN(c2cc(-c3ccc(C(=O)c4cccc(CN5CCC6(CC5)OCCO6)c4)c(F)c3)cc(F)c2F)CC1,PHWAZSCABHADHP-UHFFFAOYSA-N
-rxn:4:187692:225752,COC(=O)c1cnc(C(C)C)c(-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)cc2F)c1,JQRJQHXEYFGZRM-UHFFFAOYSA-N
-rxn:4:187847:222968,CC(C)CNC(=O)c1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)cc1,FTFKFCROEYNVKK-UHFFFAOYSA-N
-rxn:4:187944:225218,CC1CCCN(c2ncc(-c3ccc4c(c3)OCCCC4OCCN3CCOCC3)cc2Cl)C1,LIYUDQMHLZRDCZ-UHFFFAOYSA-N
-rxn:4:187961:223888,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cc1)CC(C)(C)CC2=O,ULFXSPPLWTZQPV-UHFFFAOYSA-N
-rxn:4:187961:224863,COC(=O)Cc1cc2c(n1-c1ccc(-c3ccccc3CN(C(C)C)C(C)C)cc1)CC(C)(C)CC2=O,QOCKLHQINHQLDN-UHFFFAOYSA-N
-rxn:4:187968:223889,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)ccc21,PVVPAUAHGDRRQM-UHFFFAOYSA-N
-rxn:4:187970:222648,Cc1cc(C)c(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccccc23)cc1NC(=O)OC(C)(C)C,KDBVPXIDSJCLBO-UHFFFAOYSA-N
-rxn:4:187971:224308,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c3)cc21,PPAQAMJQXDPXQO-UHFFFAOYSA-N
-rxn:4:187986:224719,COc1ccc(CN2C3CCC2(c2ccc(-c4cn(C(=O)OC(C)(C)C)nc4C(C)C)cc2)CC(=O)C3)cc1,CVXRLQBPRCGPPQ-UHFFFAOYSA-N
-rxn:4:189148:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(C(F)(F)F)c(C(=O)N(C)C)c2)CC1,LSLGHWPHUOSMPH-UHFFFAOYSA-N
-rxn:4:189316:223521,COc1cccc(C(=O)N(C)C)c1-c1cccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c1,VDNCWPFZLVRCMZ-UHFFFAOYSA-N
-rxn:4:189379:223838,CN(C)S(=O)(=O)c1ccc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c(C(F)(F)F)c1,IYJFPFJCGHNWJO-UHFFFAOYSA-N
-rxn:4:189381:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N(C)C)ccc2C)CC1,BYEZXEQFUPGMRU-UHFFFAOYSA-N
-rxn:4:189543:222465,COC1CN(Cc2cc(F)cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)C1,YFZTYNPIUMLTQY-UHFFFAOYSA-N
-rxn:4:189601:223993,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(C)c2)ccc1C(=O)ON1C(=O)CCC1=O,AYDAXEADQOTNTE-UHFFFAOYSA-N
-rxn:4:189697:224485,COC(=O)C1CC(=O)N(c2ccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cc2)C1,UEVNKMQHLINGAK-UHFFFAOYSA-N
-rxn:4:189867:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cc21,WYMIXASXBPNBED-UHFFFAOYSA-N
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-rxn:4:190010:223810,C#CC1CCN(S(=O)(=O)c2cccc(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)c2)CC1,FDKUKQZQWMYDFH-UHFFFAOYSA-N
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-rxn:4:190228:224746,CC(=O)N1CCN(c2ccc(-c3ccc(C4CCCN4S(=O)(=O)C4CC4)cc3)cn2)CC1,ASYKBHRKVIWXKF-UHFFFAOYSA-N
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-rxn:4:190422:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2CCN(CC(C)C)CC2)cc1,IEPANBMFWJOAMY-UHFFFAOYSA-N
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-rxn:4:190487:226100,CCC(C)COc1ccc(-c2cc(C)c(S(=O)(=O)N3CC(C)CC(C)C3)cc2OC)cc1,VDSJFKDNKUQCEX-UHFFFAOYSA-N
-rxn:4:190493:222855,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)cc(C2CCCNC2)c1,BJMYAAMXGNTPCC-UHFFFAOYSA-N
-rxn:4:190633:222466,COCCN1C(=O)C(=O)c2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)ccc21,JJLXWJCPEQYXEX-UHFFFAOYSA-N
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-rxn:4:190869:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)CO3)cc1,VYCGUXXWKPVWDX-UHFFFAOYSA-N
-rxn:4:190902:224188,CC(C)N(C(=O)c1ccc(-c2cccc3c2OCCN3C(=O)OC(C)(C)C)c(Cl)c1)C(C)C,CBZVXSMVPPCYLF-UHFFFAOYSA-N
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-rxn:4:190953:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1F,XYHAABRQVYVQPL-UHFFFAOYSA-N
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-rxn:4:191008:225426,CCN(CC)C(C)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)cc1,METCNXDDJULWSV-UHFFFAOYSA-N
-rxn:4:191030:222910,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)c(C)c1,CTVPDECYYZPFSA-UHFFFAOYSA-N
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-rxn:4:191031:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2,WEBGGJAQTIXWMA-UHFFFAOYSA-N
-rxn:4:191041:225439,CC(c1cccc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)c1)N1CCCC1,WRXBJVUGONBSCI-UHFFFAOYSA-N
-rxn:4:191057:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)cc1,OCOFCABEZHYRAK-UHFFFAOYSA-N
-rxn:4:191062:223010,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2(O)CCOCC2)cc1,ILEAYQTWOPLQQW-UHFFFAOYSA-N
-rxn:4:191062:223138,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccnc(C2CCNCC2)c1,BICDLTWHMYNKRA-UHFFFAOYSA-N
-rxn:4:191062:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,IKZUZZKBKGFUQT-UHFFFAOYSA-N
-rxn:4:191062:224498,CCN1CCN(Cc2ccccc2-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)CC1,JCTUMTRTFFTTDX-UHFFFAOYSA-N
-rxn:4:191062:224883,CC(c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc1)N1CCCCC1,MXNMEADAQWSVGP-UHFFFAOYSA-N
-rxn:4:191062:227432,Cc1nc(C2COC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,ZTUGZNBNQSWLGT-UHFFFAOYSA-N
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-rxn:4:191069:226686,Cc1cnn(C2CCCCO2)c1-c1cc(F)c2c(c1)N(CCC1CCCCC1)CCO2,YUEUTNJWNJBWJH-UHFFFAOYSA-N
-rxn:4:191087:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc1,CEWZFCCVVGCIBC-UHFFFAOYSA-N
-rxn:4:191087:225539,CCN(CC)Cc1c(F)cccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C,UMGWOMZBJCCUHI-UHFFFAOYSA-N
-rxn:4:191087:225548,CCOC(=O)c1ccc(CC)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C,HXSVIMWEEMUDOJ-UHFFFAOYSA-N
-rxn:4:191089:224864,CC(C)N(Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cc1)C(C)C,LUAXCAGHZPQCOS-UHFFFAOYSA-N
-rxn:4:191097:225426,CCN(CC)C(C)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,HCHCEKZFDCVUSK-UHFFFAOYSA-N
-rxn:4:191099:224018,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc1C2=O,RORYWCANGZWLAU-UHFFFAOYSA-N
-rxn:4:191100:225543,CCCCC(=O)c1ccc(F)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)C32CCOCC2)c1,GZTMONMQSCMXRH-UHFFFAOYSA-N
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-rxn:4:191109:223900,COc1ccc(-c2ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c2)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,ZQYPSQSCQUVNCC-UHFFFAOYSA-N
-rxn:4:191123:226914,Cc1cc(CC(C)C)ccc1-c1cccc2c1C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,ONHHMKITAUYOAG-UHFFFAOYSA-N
-rxn:4:191127:223539,COc1ccc(-c2ccc3c(c2)OC2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,MGJFGQVMULDVEH-UHFFFAOYSA-N
-rxn:4:191171:225825,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4ccc(N5CCN(C)CC5)nc4)cc1c32,CUDHPNARUOTBQW-UHFFFAOYSA-N
-rxn:4:191194:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c5c(cccc35)C(=O)N(c3c(C(C)C)cccc3C(C)C)C4=O)cc21,HBCMYHBKCGCIHM-UHFFFAOYSA-N
-rxn:4:191195:224902,COc1cc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)ccc1-c1ccccc1,OKXDKTJIBOQZRF-UHFFFAOYSA-N
-rxn:4:191195:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,IXRGFRTYUUVNTE-UHFFFAOYSA-N
-rxn:4:191195:228567,CCC(C)c1sccc1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,JQKKRICJUXOXIE-UHFFFAOYSA-N
-rxn:4:191777:223606,COc1ccc([N+](=O)[O-])c(F)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,XLHKUSJBAQYWHF-UHFFFAOYSA-N
-rxn:4:192773:222604,COc1ccc(-c2cccc(C=C3N=C(SC)SC3=O)c2)cc1S(=O)(=O)NC1CCCC1,VHWJKLLFGKMLCB-UHFFFAOYSA-N
-rxn:4:193058:222447,COc1ccc2c(c1-c1ccc(C(=O)N3CCCC3)cc1F)N=C(NC(=O)OC(C)(C)C)C2,MZQKIIUUXGJFHV-UHFFFAOYSA-N
-rxn:4:193066:222465,N#CC1(c2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)ccc2F)CCCC1,KORYVHQDAWCDJB-UHFFFAOYSA-N
-rxn:4:193129:223582,COC(=O)c1ccc2cc(-c3cccc(C(=O)N4CCC(F)(F)C4)c3F)n(C(=O)OC(C)(C)C)c2c1,MLSLIXKDGLRJOT-UHFFFAOYSA-N
-rxn:4:193235:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)ccn2)CC1,CXKUFTWVFFPHIT-UHFFFAOYSA-N
-rxn:4:193296:224810,FC1(F)CCN(c2c(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cccc2C(F)(F)F)C1,UMNXMMXGSZPBQA-UHFFFAOYSA-N
-rxn:4:193300:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(S(=O)(=O)N4CCC(F)(F)C4)cc3F)cnc2C1,OWZFBIHVQZCKEG-UHFFFAOYSA-N
-rxn:4:193446:223814,Cc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1C(=O)N1CCCC1,GWCPWFNOMNLDGQ-UHFFFAOYSA-N
-rxn:4:193497:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)s2)CC1,IZQKPDBKZCWXFC-UHFFFAOYSA-N
-rxn:4:193561:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)c(F)c2)CC1,WXHYTYKVFCVCIC-UHFFFAOYSA-N
-rxn:4:193592:223522,CC(c1ccccc1-c1cc(F)cc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)c1)N1CCC(F)(F)C1,WQNMJUMVNIPNMX-UHFFFAOYSA-N
-rxn:4:193928:223596,Cc1cc(C(=O)N2CCCCC2C)cc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,HONJXKVJUGFLSN-UHFFFAOYSA-N
-rxn:4:193974:224178,CN1CCN(CCOc2cccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2)CC1,XKOSPCBTFWXXLO-UHFFFAOYSA-N
-rxn:4:193994:222769,Cc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)cc1-c1ccc(C(=O)NC2CCCC2)c(F)c1,MREHIWGPTZBPAB-UHFFFAOYSA-N
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-rxn:4:194686:224758,O=C1CC2(CCN(C(=O)C(F)(F)F)CC2)c2ccc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)cc21,SUWLHGBDQXKFPL-UHFFFAOYSA-N
-rxn:4:194696:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)CCCC3=NS(=O)C(C)(C)C)c1,GNODQNWFYLWCEM-UHFFFAOYSA-N
-rxn:4:194696:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc3c(c2)CCCC3=NS(=O)C(C)(C)C)c1,ZDFCTVBDXJJHJH-UHFFFAOYSA-N
-rxn:4:194697:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc2c(c1)C(=NS(=O)C(C)(C)C)CCC2,BHOCDSDUCRZOFU-UHFFFAOYSA-N
-rxn:4:194730:224805,CCOC(=O)c1cc(-c2ccc3c(c2)CCC3N2CCC(OC)CC2)cc(C(F)(F)F)c1,PWXRASDDMABPAE-UHFFFAOYSA-N
-rxn:4:194750:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,YNJZRLPUORSQSY-UHFFFAOYSA-N
-rxn:4:194751:225736,CCCOc1c(OC)ccc(-c2ccc3c(c2)OC2(CCOCC2)CC(=O)N3CSC)c1F,DOEVPYUOODUZAD-UHFFFAOYSA-N
-rxn:4:194758:223120,O=C(NC1CC1)c1cccc(-c2ccc3c(c2)CCCC3N2CCC(C(F)(F)F)CC2)c1,ZLJSZMICCLTCOY-UHFFFAOYSA-N
-rxn:4:194767:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCCC5(C4)OC(=O)c4ccccc45)c3)c(F)c2)CC1,ZXRGLKPZFRLJGY-UHFFFAOYSA-N
-rxn:4:194785:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1,ZHPWUOMUXMSZSO-UHFFFAOYSA-N
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-rxn:4:207462:224011,CCn1ncc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)c1C12CSCCC1O2,SPKXDPMVSFMQLJ-UHFFFAOYSA-N
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-rxn:4:207469:223559,CCn1c(=NC(C)=O)sc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc21,ZZSMNAVHAXHWOY-UHFFFAOYSA-N
-rxn:4:207747:224256,CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(Cl)c(C(=O)N3CCCCC3C)c2)cc1,KXERWFZZXVTLFK-UHFFFAOYSA-N
-rxn:4:207779:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)c1,BLHNFOKKURGALI-UHFFFAOYSA-N
-rxn:4:207795:225088,COc1cc(-c2cncc(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1OCCN(C)C,XWXFWQORSFWTOD-UHFFFAOYSA-N
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-rxn:4:207826:225122,CC(C)(C)[Si](C)(C)Oc1cncc(-c2ccc(N3C(=O)N(c4ccccc4Cl)C4CS(=O)(=O)CC43)cc2)c1,DXPNYKAGGBEAIS-UHFFFAOYSA-N
-rxn:4:207854:225652,CC1CCCN(c2cncc(-c3ccc4c(c3)CCN4C3CCN(C4CCC4)CC3)c2)C1,CADBHTUEDXJKKC-UHFFFAOYSA-N
-rxn:4:209618:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cncc(C4CCCCO4)n3)ccc2Cl)CC1,WGVZHLPTPQKXAU-UHFFFAOYSA-N
-rxn:4:210065:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cccc3[nH]nc(C(F)(F)F)c23)CC1,SDRKHATUSAZUBL-UHFFFAOYSA-N
-rxn:4:210681:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4=CSC5=NCCN45)cc3)cn2)CC1,YDDAHCDCHPGLKI-UHFFFAOYSA-N
-rxn:4:210681:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4=CSC5=NCCN45)cc3)ccn2)CC1,ACNVXLROFYCBLF-UHFFFAOYSA-N
-rxn:4:210873:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cnc4ccn(C5CCCC5)c4c3)c2)CC1,JFBCQECOZCKZMO-UHFFFAOYSA-N
-rxn:4:211034:223784,CCN1CCN(CCOc2ccc(-c3cnc(N4CC5C(C4)C5(C)C)cc3C)cc2F)CC1,DFYXXRJWSMKVRK-UHFFFAOYSA-N
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-rxn:4:212561:224826,CCOC(=O)c1cc(-c2cccc(C(=O)N3CCN=C3SCc3ccc([N+](=O)[O-])cc3)c2)cnc1C(F)(F)F,QKHJZSSTQRGKFZ-UHFFFAOYSA-N
-rxn:4:212615:224187,O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cncc(-c2ccc(OCCN3CCCCC3)cc2F)c1,CIRPKUMQXQSIKZ-UHFFFAOYSA-N
-rxn:4:212618:225532,CCN(CC)Cc1ccc(-c2cnc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn2)c(F)c1,BDDDSWXEMIOCRK-UHFFFAOYSA-N
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-rxn:4:212624:225196,O=C(CCc1ccccc1-c1cc(Cl)c(F)c(OC2CCCC2)c1)N1CCC(Oc2ncc(F)cn2)CC1,XWQNWUCBMJUEQX-UHFFFAOYSA-N
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-rxn:4:212642:225297,O=C(c1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)o1)N1CCC(COc2ccc(C3CC3)nn2)CC1,OJWYBCYIPOJCHF-UHFFFAOYSA-N
-rxn:4:212653:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1nc(C(=O)OC)ccc1N1CCN(C(=O)OC(C)(C)C)CC1,RKLFZSDRUMNLBC-UHFFFAOYSA-N
-rxn:4:212660:222723,COc1cccc(CN2CCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)c1,YWVSXDDXPRDPBV-UHFFFAOYSA-N
-rxn:4:212660:222781,COc1cccc(CN2CCC(COc3ncc(-c4cnc(C)cc4NC(=O)OC(C)(C)C)cn3)CC2)c1,UZBZQQHMVQOFOK-UHFFFAOYSA-N
-rxn:4:212665:225394,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cc(C4CCC4)cc(C4CC4)c3)cn2)C1,KVALWSCXUKNOKW-UHFFFAOYSA-N
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-rxn:4:212692:224581,Cc1ccn(-c2ccc(C3CC3)c(-c3cncc(CC(=O)N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c2)n1,NCIVEAODELAFBB-UHFFFAOYSA-N
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-rxn:4:212720:229268,Cc1cc(-c2ccc(C(=O)N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)sc1Cl,LGGKJNYTBRGVLP-UHFFFAOYSA-N
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-rxn:4:212968:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2cnc(OCC3CCCN(C(=O)C4CC4)C3)nc2)c1,NVXQPIHHGPVNBO-UHFFFAOYSA-N
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-rxn:4:213198:222896,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3ccc(CNC(=O)OC(C)(C)C)s3)c2)nc1C,WLMHBCONRGIQHK-UHFFFAOYSA-N
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-rxn:4:213380:225565,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3cccc(OCC4CCCO4)c3)cc1)SCC2)N1CCCCC1,PMXVKDSANOBJAP-UHFFFAOYSA-N
-rxn:4:213388:226248,CCOC(=O)Cc1cccc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)c1,VQFHUFXHDMIPRJ-UHFFFAOYSA-N
-rxn:4:213390:223971,CCC(=O)N1CCCC1c1nc2ccccc2n1Cc1ccc(-c2cc(N3CCC(C)CC3)cc(C(F)(F)F)c2)cc1,ATPKJPXJUNRRQJ-UHFFFAOYSA-N
-rxn:4:213412:227048,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(C(=O)C(C)C)cc4)cc3nn2C)CC1,ZXICEQWSRDVXQN-UHFFFAOYSA-N
-rxn:4:213412:227344,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(OC(C)C)c(F)c4)cc3nn2C)CC1,KNZQFAYJRWJWLL-UHFFFAOYSA-N
-rxn:4:213474:225616,CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccccc4C(=O)N4CCCC4)ccc2-3)[nH]1,COFIPQJRANNXHP-YTTGMZPUSA-N
-rxn:4:213480:225947,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCN(C)CC5)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,XZXZFJSUWZTJPD-QUOLTWHMSA-N
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-rxn:4:213693:225087,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(OCCCN(C)C)c(F)c2)cn1,WQLQSCJZAVPLSW-UHFFFAOYSA-N
-rxn:4:213720:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)C2)cc1,KSGLENXFZLQNPU-UHFFFAOYSA-N
-rxn:4:213778:222684,CCN1CCN(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c(C(=O)OC)n2)CC1,IWYIHJCCQVVZRL-UHFFFAOYSA-N
-rxn:4:213781:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(Cc5nc(C)cs5)CC4)o3)c3ccccc23)CC1,YAQQIAXARBWOLL-UHFFFAOYSA-N
-rxn:4:213828:222841,O=C(NC1CCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)cc1,ZZVIFLWCIDYQJN-UHFFFAOYSA-N
-rxn:4:213832:223533,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)CC1,CEDODNXACBYOGW-UHFFFAOYSA-N
-rxn:4:213839:222886,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(N3CCNCC3)cc2C#N)CC1,JLUDUELYBZNMAW-UHFFFAOYSA-N
-rxn:4:213840:222886,CC(C)(C)OC(=O)N1CCCC(n2ccnc2-c2ccc(N3CCNCC3)cc2C#N)C1,MZJWOYBWOBRDDR-UHFFFAOYSA-N
-rxn:4:213842:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cncc(CC(=O)N2CCN(C(C)C)CC2)c1,VDLYCAJNBVUSHI-UHFFFAOYSA-N
-rxn:4:213857:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(OC4CCN(Cc5ccccc5F)CC4)nc3)cc2C1,BXKNFOOQEPXYLI-UHFFFAOYSA-N
-rxn:4:213873:223094,CC(=O)Nc1cc(-c2ccc([N+](=O)[O-])cc2CN2CCN(C(C)C)CC2)ccc1[N+](=O)[O-],BQBGSYSOKNEXLE-UHFFFAOYSA-N
-rxn:4:213874:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C,KZRLHUYDIJJDLV-UHFFFAOYSA-N
-rxn:4:213879:223818,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)CC1,SPDCFTYUIZJWDU-UHFFFAOYSA-N
-rxn:4:213889:223945,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccc(OCCCN4CCOCC4)c(F)c3)ncn2)C1,RQAGLJCLVKKDMJ-UHFFFAOYSA-N
-rxn:4:213892:222889,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(F)cc(CN3CCNCC3)c2)CC1,PRPCGXYFFDETBK-UHFFFAOYSA-N
-rxn:4:213905:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCC(Cn3ccnc3)CC2)cc1,DIEZMISOKICMQX-UHFFFAOYSA-N
-rxn:4:213932:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)c1,KPBBMTRKISLZJB-UHFFFAOYSA-N
-rxn:4:213932:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C(F)(F)F)c3)cc2)CC1,DYOHWWNUCFGCJQ-UHFFFAOYSA-N
-rxn:4:213932:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C(F)(F)F)c3)cn2)CC1,BXKWJSRDYPYHBP-UHFFFAOYSA-N
-rxn:4:213969:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)o2)c1,GHXDFUQEHLLIRF-UHFFFAOYSA-N
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-rxn:4:213972:228183,COCc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)ccc1Cl,SNIBUMZWUCDZIY-UHFFFAOYSA-N
-rxn:4:213974:226472,CN(C)CCOc1cc(-c2cccc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)ccn1,MEEXRZAJWIDXQS-UHFFFAOYSA-N
-rxn:4:213976:225430,CCCCOc1cc(C)c(-c2cccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)n2)c(C)c1,IIHUGCUKRLFFLW-UHFFFAOYSA-N
-rxn:4:213980:223522,CC1CN(C(=O)OC(C)(C)C)CCC1c1nccc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)n1,DGWALPPYTVUFEV-UHFFFAOYSA-N
-rxn:4:213995:226480,CCCCOc1ccc(-c2ccc(N3CCN(C)CC3)nc2C(=O)OC(C)(C)C)c(F)n1,ZFWLUFBQHZJLSM-UHFFFAOYSA-N
-rxn:4:213998:226476,CCCCOc1ncc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1Cl,ZDHAKIAFTOJDLB-UHFFFAOYSA-N
-rxn:4:214008:225294,CCN1CCN(c2ncc(-c3nc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c(C(C)C)s3)cn2)CC1,CFQJQNYCHQFURD-UHFFFAOYSA-N
-rxn:4:214024:225896,COCCOc1cc(-c2cnc(OC3CCN(C(=O)C4CCC(F)(F)CC4)CC3)nc2)c(F)cc1F,WEHMPWDKWQBZDX-UHFFFAOYSA-N
-rxn:4:214027:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,MOEZQEGNEOIPCM-UHFFFAOYSA-N
-rxn:4:214027:228089,CCCOc1ncccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,OQVUGFWUBACMMX-UHFFFAOYSA-N
-rxn:4:214033:226064,CC(C)[C@H]1COC(c2cc(-c3ccc(C4CCCCC4)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,JSXVCMSLTXZWCP-KAYWLYCHSA-N
-rxn:4:214056:224421,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4c(C(C)C)cc(C(C)C)cc4C(C)C)o3)S2)CC1,GDZBFLXLMWSIKJ-UHFFFAOYSA-N
-rxn:4:214060:224927,COC(=O)c1ccc(-c2cncc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)c2)c2ccccc12,JHJSIDDAFJOESD-UHFFFAOYSA-N
-rxn:4:214060:226549,CCOc1c(Cl)cc(-c2cncc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)c2)cc1OC,VUPDGMSTUJZVJN-UHFFFAOYSA-N
-rxn:4:214081:225308,O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccc(-c3cc(C(F)(F)F)cc(C4CC4)c3Cl)cc2)=NC12CCCCCC2,GYRIEABJGPKHLG-UHFFFAOYSA-N
-rxn:4:214082:223279,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,KPJSLJCWGXAHAP-UHFFFAOYSA-N
-rxn:4:214221:224652,CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c3)cc2[nH]1,KWMHXXMNZICZLR-QHCPKHFHSA-N
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-rxn:4:214321:224877,CC(C)(C)OC(=O)N1CCCC(n2cnc3cc(-c4ccc(COC5CCCCC5)cc4)ccc32)CC1,WURVNFUZBRSUDP-UHFFFAOYSA-N
-rxn:4:214379:226120,CCCOc1cc(C)c(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)c(C)c1,PREAHJXYHSNXGV-UHFFFAOYSA-N
-rxn:4:214643:223529,Cc1cc(C(F)(F)F)n(-c2nc(-c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc3)cs2)n1,VUZCAPBZXGJZAV-UHFFFAOYSA-N
-rxn:4:214661:223945,Cn1ncc(C(=O)N2CCCC(C(F)(F)F)C2)c1-c1ccc(OCCCN2CCOCC2)c(F)c1,ISIFSPIRXZYRFV-UHFFFAOYSA-N
-rxn:4:214688:223521,CC(c1cccc(-c2cnccc2Oc2cnn(C3CCCCO3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,AFKFPGQFFLSKQF-UHFFFAOYSA-N
-rxn:4:214697:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1cnn(C2CCN(CC3CC3)CC2)c1,FGKJULXFJKUCGQ-UHFFFAOYSA-N
-rxn:4:214747:224587,CC1CCN(Cc2ccc(-c3cccc(C#N)c3N3CCC(N(C)C)CC3)cc2F)CC1,GOPKFAHAUYDBLV-UHFFFAOYSA-N
-rxn:4:214748:224193,CCN1CCN(Cc2cc(-c3cc(C#N)ccc3N3CCC(N(C)C)CC3)ccc2F)CC1,BEPVKEPYANUPSZ-UHFFFAOYSA-N
-rxn:4:214776:222462,CC(C)N1CCN(c2cc(-c3c(F)cc4nc(NC(=O)OC(C)(C)C)sc4c3F)cc(F)c2[N+](=O)[O-])CC1,QOGDLJYOJYLXRR-UHFFFAOYSA-N
-rxn:4:214804:222584,O=C(C1CN(c2ccncc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CCO1)N1CCCC1,LLNKNFFXJFJPCC-UHFFFAOYSA-N
-rxn:4:214804:225093,CCCOc1c(Cl)cc(-c2cnccc2N2CCOC(C(=O)N3CCCC3)C2)cc1OCC,XJHGUPQTWQDMSS-UHFFFAOYSA-N
-rxn:4:214821:223833,O=S(=O)(C1CC1)N1CCCN(c2ncc(-c3ccc(Oc4ccc(C(F)(F)F)cc4Cl)cc3)cc2F)CC1,SJQGFYUZGSSIQB-UHFFFAOYSA-N
-rxn:4:214829:226236,CCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCSCC2)C1,LRYJGAUBQCGQFX-UHFFFAOYSA-N
-rxn:4:214830:223028,CCCNC(=O)c1ccc(F)c(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,XRDCVNOYGNWQBJ-UHFFFAOYSA-N
-rxn:4:214830:226225,COCCOCc1cccc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,KJSRCMPVGVWPQC-UHFFFAOYSA-N
-rxn:4:214872:225518,CCCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,BCXHIRLKLMXBAC-UHFFFAOYSA-N
-rxn:4:214872:227480,CCCOc1nccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1Cl,YYYHEJSJGJLVIO-UHFFFAOYSA-N
-rxn:4:214883:224603,O=C(C1CCN(c2ccncc2-c2cccc3c2cnn3C2CCCCO2)CC1)N1CCC(F)(F)CC1,OZKVNNIQNQQNLZ-UHFFFAOYSA-N
-rxn:4:214890:226991,CCC(C)Cc1cncc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c1,MGFRZQLVEJXQQI-UHFFFAOYSA-N
-rxn:4:214891:225173,O=C(c1ccc(-c2cccc(-c3nc(C4CC(=O)N(C5CCCCC5)C4)no3)c2)c(F)c1)N1CCCC1,IHKIZEFXACBJPV-UHFFFAOYSA-N
-rxn:4:214896:225166,Cc1cc(-c2ccc(C(=O)N3CCCC3)c(F)c2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,IGNWBNODXGJRLN-UHFFFAOYSA-N
-rxn:4:215054:222833,CC(C)CCC(=O)Nc1cccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)c1,SRJVZUIJHHZSLA-UHFFFAOYSA-N
-rxn:4:215114:223588,Cc1ccc2[nH]c(C3CN(C(=O)c4ccc(-c5cnc(N6CCN(C(=O)OC(C)(C)C)CC6)c(C)c5)o4)C3)nc2c1,FFOOEXHEKAVLOW-UHFFFAOYSA-N
-rxn:4:215131:224834,Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1-c1cn(S(=O)(=O)N(C)C)nc1C(F)(F)F,UWRORJUZDVMXQR-UHFFFAOYSA-N
-rxn:4:215155:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)o3)ccc2C)CC1,ZGZJSFZMKJXZSR-UHFFFAOYSA-N
-rxn:4:215161:223695,Cc1ccc2c(c1)N(Cc1nc(-c3ccc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cc3)no1)C(=O)CO2,YVGVKCKVSLSDAR-UHFFFAOYSA-N
-rxn:4:215166:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccccc3C(=O)N3C4CCC3CC(n3cccn3)C4)c2)CC1,VHWAJQNBRLPHPL-UHFFFAOYSA-N
-rxn:4:215183:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cncc(C(=O)N3CC(N4CCc5ccccc5C4)C3)c2)cc1,IWPJTMSMFZUUAJ-UHFFFAOYSA-N
-rxn:4:215301:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)C3CC(c5ccccc5)=NN3C3(CCN(Cc5ccccc5)CC3)O4)c3ccccc23)CC1,QKSLRNGTHCPTEG-UHFFFAOYSA-N
-rxn:4:215304:223542,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,SCJDOOHRJFLGQT-UHFFFAOYSA-N
-rxn:4:215304:226665,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCOC5)nc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,VVSVHVJLZYAQMQ-UHFFFAOYSA-N
-rxn:4:215635:223492,Cc1cc(-c2csc(-c3cnc(C4CC4)nc3)n2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FYEAXVVULGNJJP-UHFFFAOYSA-N
-rxn:4:215885:224405,CC1CCN(c2ncc([N+](=O)[O-])cc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)CC1,GBQJPCOESNXKTH-UHFFFAOYSA-N
-rxn:4:215886:224307,CC1CCN(c2ncc(-c3c(F)cc(O[Si](C)(C)C(C)(C)C)cc3F)cc2[N+](=O)[O-])CC1,YFUZMHDZJXKIMC-UHFFFAOYSA-N
-rxn:4:215886:224405,CC1CCN(c2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])CC1,LMOHUCODONJFET-UHFFFAOYSA-N
-rxn:4:215888:224405,CC1CCCN(c2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1,ILQMYNIWOMQAEG-UHFFFAOYSA-N
-rxn:4:215890:223884,CC1CCCCN1c1ncc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-],VAHNBNUPWKBNCQ-UHFFFAOYSA-N
-rxn:4:215891:223695,CN1CCN(c2ccc([N+](=O)[O-])c(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2)CC1,KIUYFAAGDZBQFQ-UHFFFAOYSA-N
-rxn:4:215899:222693,CS(=O)(=O)N1CCCC(c2cnc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)C1,NBAMFIWPMWWYOQ-UHFFFAOYSA-N
-rxn:4:215904:222432,CS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)CC1,PPTYNVGROYRLPG-UHFFFAOYSA-N
-rxn:4:215908:222694,CS(=O)(=O)N1CCN(c2cncc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)c2)CC1,NQXUCHKHZHMHCG-UHFFFAOYSA-N
-rxn:4:215934:222588,CC1CCN(Cc2nn(C)cc2-c2ccc(OCCN3CCC(O)CC3)c(F)c2)CC1,HHUZLFBWLDQSQS-UHFFFAOYSA-N
-rxn:4:215934:223945,CC1CCN(Cc2nn(C)cc2-c2ccc(OCCCN3CCOCC3)c(F)c2)CC1,DKFSWCKEEPMIST-UHFFFAOYSA-N
-rxn:4:215955:223784,CCN1CCN(CCOc2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2F)CC1,ACQOYBOIZFOMKT-UHFFFAOYSA-N
-rxn:4:215963:223682,CC1CCCN(c2cc(C3CC3)nc(-c3c(C(F)(F)F)ccc4c3cnn4C3CCCCO3)n2)C1,YMWDUTWOZVLTNA-UHFFFAOYSA-N
-rxn:4:215974:224425,CCCC1CCC(c2ccccc2-c2ccc(N3CCC(N4CCOCC4)C3)nc2)CC1,NKFNLSQACBXKRA-UHFFFAOYSA-N
-rxn:4:215977:224195,CCN1CCN(Cc2cc(-c3nc(C(C)C)cc(N4CCCC(C)C4)n3)ccc2Cl)CC1,SWYKYLJAKDJDII-UHFFFAOYSA-N
-rxn:4:216909:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cnnn3C3CCCC3)c2)CC1,CAPBBAZWFZVYHB-UHFFFAOYSA-N
-rxn:4:217107:223669,CN1CCN(c2cncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2)C1=O,MOYBKEJWBRGEFE-UHFFFAOYSA-N
-rxn:4:217107:223671,CN1CCN(c2cncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C1=O,OAFZSMIIZNTSCI-UHFFFAOYSA-N
-rxn:4:217886:223822,CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(N2CC3CCCCC3C2)nc1,HRULNNMPBDEMAJ-UHFFFAOYSA-N
-rxn:4:217907:226544,COC(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)c(OC)c1,SPIHGNMDNJXZQM-UHFFFAOYSA-N
-rxn:4:218586:224751,N#Cc1ccc(CN2CCCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)cn3)C2)c(F)c1,MAHXEPORSCIKCI-UHFFFAOYSA-N
-rxn:4:218600:223026,CCCNC(=O)c1ccc(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,ICRAQCJWHOWJLY-UHFFFAOYSA-N
-rxn:4:218601:226012,CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(Cn3cc(-c4ccc(OCC(F)(F)F)cc4F)cn3)C2)cc1,WURRVLMNSMFNSU-UHFFFAOYSA-N
-rxn:4:218603:224050,CCc1cc(-c2cnc(OCC3CCCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)ccc1OCc1ccccc1,XCMGFAMTMPQYFP-UHFFFAOYSA-N
-rxn:4:218619:224950,COc1ccc(-c2ccccc2CCC(=O)N2CCC(n3cc(C4CC4)nn3)C2)c(CN2CCCC2)c1,ZXCOOWOHBFRTKK-UHFFFAOYSA-N
-rxn:4:218637:223686,Cc1oc(-c2ccc(Cl)cc2)nc1COC(=O)c1nnn(-c2ccccc2-c2ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c2)c1C,IGERVCCEIYJOFI-UHFFFAOYSA-N
-rxn:4:218641:222477,Cc1ccc(CNC(=O)c2cccc(-c3ccccc3CCC(=O)N3CCC(S(=O)(=O)c4nncn4C)CC3)c2F)cc1,MLGSLYCUIWXPQK-UHFFFAOYSA-N
-rxn:4:218666:224718,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCN5CCOCC5)nc4)c3)C2)nn1,BWHOALNZDULJTB-UHFFFAOYSA-N
-rxn:4:218682:225123,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccncc4OCC4CCCCO4)cn3)C2)CC1,CRPLNEUTYILOHK-UHFFFAOYSA-N
-rxn:4:218682:225281,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(Cl)nc(C(=O)OC(C)(C)C)c4)cn3)C2)CC1,HMVMQPOAJXGEJS-UHFFFAOYSA-N
-rxn:4:218711:225957,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(-c4cncnc4)nc3F)CC2)CC1,SQIRXAAMVVYOOM-UHFFFAOYSA-N
-rxn:4:218713:222564,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cccc(C(=O)NCc5ccc(Cl)cc5)c4)c3C)CC2)cc1C,GAPVTHSCBBLRQW-UHFFFAOYSA-N
-rxn:4:218746:224132,CCOC(=O)C1CCCN(Cc2cn3c(-c4ccc(-c5ccccc5C(=O)N(C)C5CCCCC5)cc4)nnc3s2)C1,SYAWYXXXALRAFR-UHFFFAOYSA-N
-rxn:4:218777:225979,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1cnc(N2CCOCC2)c(Cl)c1,CTIYCZHUSQXCBW-UHFFFAOYSA-N
-rxn:4:218792:223520,CC(c1ccc(-c2ccc(-c3nn(CCC#N)cc3C#N)cc2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,HZOIBSUTJVYQSJ-UHFFFAOYSA-N
-rxn:4:218831:223598,O=C(c1cscn1)N1CCC(COc2ncc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cn2)CC1,WMWUGJGYDYNVMH-UHFFFAOYSA-N
-rxn:4:218867:226177,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(C4CCCCC4)c3)c2)no1,DWSRDRCMZPGWGC-UHFFFAOYSA-N
-rxn:4:218867:226182,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccnc3C3CCCCC3)c2)no1,SFTOQTJASUBFNH-UHFFFAOYSA-N
-rxn:4:218867:226364,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCCCC4)nc3)c2)no1,NLMNECQDVSOLEN-UHFFFAOYSA-N
-rxn:4:218867:227103,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3sccc3C3CCCCC3)c2)no1,XBJQKXCQOWELEE-UHFFFAOYSA-N
-rxn:4:218867:227386,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnn(C4CCCCC4)c3)c2)no1,COXOBCDPGCPUHP-UHFFFAOYSA-N
-rxn:4:218867:227403,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCCCC4)s3)c2)no1,OGDGJTDJRLUVGI-UHFFFAOYSA-N
-rxn:4:218868:225633,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)no1,ZHNOMOVURUUACD-UHFFFAOYSA-N
-rxn:4:218868:226174,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(C4CCCCC4)nc3)cc2)no1,QDGAEQXTDPJETR-UHFFFAOYSA-N
-rxn:4:218868:226177,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(C4CCCCC4)c3)cc2)no1,CFIOCUSQMNAEQS-UHFFFAOYSA-N
-rxn:4:218868:226180,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C)nc(C4CCCC4)c3)cc2)no1,BZXIIVBGAJPZBD-UHFFFAOYSA-N
-rxn:4:218868:226428,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(N4CCCCC4C)cs3)cc2)no1,OWDJMNARZZWMKT-UHFFFAOYSA-N
-rxn:4:218868:226685,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(C4CCOCC4)nc3)cc2)no1,FEVZQGWAUZQRRJ-UHFFFAOYSA-N
-rxn:4:218868:227386,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnn(C4CCCCC4)c3)cc2)no1,FWAGYGFQKWBNHR-UHFFFAOYSA-N
-rxn:4:218886:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5scnc5C)C4)nc3)c(Cl)c2)CC1,GUJNBFFSSBKASE-UHFFFAOYSA-N
-rxn:4:218888:224772,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)cn2)C1,CZWPELZKWWKBGX-UHFFFAOYSA-N
-rxn:4:218896:224682,O=C(c1cncc(F)c1)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCCCC4)c(Cl)c3)cn2)C1,WNCFAHHBKNOGCN-UHFFFAOYSA-N
-rxn:4:218898:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5ccncc5F)CC4)nc3)c2)C1,PHBGWRLMMMVEAI-UHFFFAOYSA-N
-rxn:4:218900:223699,CN(C)c1cccc(C(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cn3)C2)c1,IDXZYWKEXDMITC-UHFFFAOYSA-N
-rxn:4:218917:225877,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,LFQISUSZYQNRQM-UHFFFAOYSA-N
-rxn:4:218917:226116,Cc1cc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1OCC1CC1,GGJZMRFHYVELMI-UHFFFAOYSA-N
-rxn:4:218945:227465,COCCOc1cncc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)c1,WNJGMZWWXHVQBR-UHFFFAOYSA-N
-rxn:4:218950:222709,CC(C)(C)NC(=O)c1cc(-c2ccccc2CC(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc([N+](=O)[O-])c1,FAZDEGRBOONXLQ-UHFFFAOYSA-N
-rxn:4:218971:223945,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)s1,NABHJVPPOYWTAZ-UHFFFAOYSA-N
-rxn:4:218976:222431,O=C1C(N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)Nc5cccc6ccccc56)cc4)cn3)CC2)CCN1CC(F)(F)F,GEHZSXMFSOJVGW-UHFFFAOYSA-N
-rxn:4:218976:229104,Cc1ccc(-c2cnc(OC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)c(Cl)n1,MNACHECOOPJVFJ-UHFFFAOYSA-N
-rxn:4:218991:226255,CCCCOc1ccc(Cl)cc1-c1cn(C)nc1CN1CCN(C(=O)OC(C)(C)C)CC1,KVHQOJGWAAZQNM-UHFFFAOYSA-N
-rxn:4:218991:227187,CN1Cc2c(cccc2-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)C1=O,QMASOQBNQNPUMP-UHFFFAOYSA-N
-rxn:4:219002:222811,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cc(Cl)nc(NC(=O)OC(C)(C)C)c4)cn3)C2)c1=O,VFPPTVXYJQCCGD-UHFFFAOYSA-N
-rxn:4:219042:224886,CC1CCN(Cc2ccc(-c3cn(C)nc3CN3CCN(C(=O)OC(C)(C)C)CC3C)cc2)CC1,DLUMPFGWEUBCOZ-UHFFFAOYSA-N
-rxn:4:219093:224607,CCC(=O)C1=C(c2ccc(-c3ccc(C(=O)OCC[Si](C)(C)C)cc3)cc2)N(C(=O)CC)n2cnnc2S1,ITSHLXFFDFGTQT-UHFFFAOYSA-N
-rxn:4:219107:223898,CCC(=O)C1=C(c2ccc(-c3ccc(N(C(=O)OC(C)(C)C)C(C)C)cc3)cc2)N(C(=O)CC)n2c(C)nnc2S1,LVFCCKYIBONKIW-UHFFFAOYSA-N
-rxn:4:219107:225128,CCC(=O)C1=C(c2ccc(-c3cc(C4(C(=O)OC)CC4)ccc3F)cc2)N(C(=O)CC)n2c(C)nnc2S1,JEXXXLGYWJWWQZ-UHFFFAOYSA-N
-rxn:4:219126:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccccc2CCC(=O)N2C3CCC2CC(n2cncn2)C3)c1,QEYAYRIAIPPFTJ-UHFFFAOYSA-N
-rxn:4:219130:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c2)CC1,YZLZQVRMNNYPHJ-UHFFFAOYSA-N
-rxn:4:219144:223901,CC1CCN(CCOc2ccc(-c3cnc(OC4CCN(CCN5C(=O)c6ccccc6C5=O)CC4)nc3)cc2Cl)CC1,YGICQZFMAULNRY-UHFFFAOYSA-N
-rxn:4:219184:223660,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cc2)OC3)CC1,DBWZQBMMKYUAJL-UHFFFAOYSA-N
-rxn:4:219225:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4CC(Cn5cncn5)C4)o3)c(F)c2)CC1,LWQKKZWSJHLORV-UHFFFAOYSA-N
-rxn:4:219371:223593,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)CC1,BWSUKJQUXKBGEI-UHFFFAOYSA-N
-rxn:4:219407:224289,CN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(F)c1,OZZVWZLZVQTKLS-UHFFFAOYSA-N
-rxn:4:219410:224076,CC(C)(C)[Si](C)(C)n1ccc2cc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)ccc21,YKPZVIPRSNVJAA-UHFFFAOYSA-N
-rxn:4:219419:223018,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc5c(c4)NC(=O)C(C)(C)O5)o3)CC2)cc(C(F)(F)F)n1,YDYNRSWWTGOAFW-UHFFFAOYSA-N
-rxn:4:219465:223532,Cc1cc(OCC2CCCN(c3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)ccn1,LZEIHQRHLVSVPI-UHFFFAOYSA-N
-rxn:4:219468:222895,CCCCS(=O)(=O)Nc1ccc(-c2cnc(OC3CCN(C(=O)N4CCOCC4)CC3)nc2)cc1,SBQWKFRPVKYQCX-UHFFFAOYSA-N
-rxn:4:219478:223884,Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)ccc2Cl)CC1,IEZAUZFEQCKEAP-UHFFFAOYSA-N
-rxn:4:219488:226497,CCN(CC)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)cnc1Cl,FZKUBFHECSOSBY-INIZCTEOSA-N
-rxn:4:219497:224426,N#Cc1cc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cnc1N1CCOC(C(=O)N2CCCCC2)C1,UUOJKQPXXVLQMQ-UHFFFAOYSA-N
-rxn:4:219498:227262,CCCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c1Cl,IELWUPFONKMOHX-UHFFFAOYSA-N
-rxn:4:219500:228972,N#Cc1cc(-c2cc(C(F)(F)F)cs2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,WOMOVJSLIHDAPL-UHFFFAOYSA-N
-rxn:4:219506:225466,CC1CCCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)cc1,NQBWCRKOHURESM-UHFFFAOYSA-N
-rxn:4:219517:224573,CC1CCCCN1c1ccc(-c2cnc(OCC3CCCN(C4CCN(C)C4=O)C3)nc2)c(C#N)c1,VNOUMDUWXVKGHF-UHFFFAOYSA-N
-rxn:4:219532:224008,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,XBCKJUQJUJRVPI-UHFFFAOYSA-N
-rxn:4:219533:225114,CSc1ncc(-c2csc(CO[Si](C)(C)C(C)(C)C)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,DZBUMLSDPQYGFR-UHFFFAOYSA-N
-rxn:4:219533:227003,CSc1ncc(-c2ccc(OCC3CC3)cc2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,JRJJAKGIJOZQLE-UHFFFAOYSA-N
-rxn:4:219565:226181,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(C5=CCCCC5)nc4)cc3)CC2)n1,WRRZSVSIJMBYQN-UHFFFAOYSA-N
-rxn:4:219565:226364,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5)nc4)cc3)CC2)n1,ZZILPJGMFDRDCW-UHFFFAOYSA-N
-rxn:4:219565:227404,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(N5CCCCC5)cs4)cc3)CC2)n1,JEDBPOWVDLFQFS-UHFFFAOYSA-N
-rxn:4:219631:224325,CN(C(=O)c1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)o1)C1CN(c2cc3c(nn2)CCC3)C1,RQZHGIYCIWZONG-UHFFFAOYSA-N
-rxn:4:219653:224663,CN1CCN(Cc2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cc2F)CC1,MJLCULLBTDGWNC-UHFFFAOYSA-N
-rxn:4:219654:224999,CC(c1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)cc1)N1CCOCC1,DTLKGJUQHWAJPM-UHFFFAOYSA-N
-rxn:4:219672:223954,COc1ccc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)c(C(=O)N2C3CCC2CC(n2nccn2)C3)c1,ZHCPGTXIHZIIRA-UHFFFAOYSA-N
-rxn:4:219691:222697,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4ccc(Cl)c(C(=O)N5CCC(O)CC5)c4)c3n2)C1,XWELFGAYNUJJDV-UHFFFAOYSA-N
-rxn:4:219707:227166,CN1CCOc2cc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)ccc21,ILVLFTJKUJPNOC-UHFFFAOYSA-N
-rxn:4:219718:224646,Cc1cc(OC2CN(C(=O)c3c4ccc(-c5ccc(OC6CCOCC6)c(C#N)c5)cc4nn3C)C2)cc(=O)n1C,MNTIVCZTZBMXGV-UHFFFAOYSA-N
-rxn:4:219750:226604,COc1ccc(-c2cc(Cl)c(F)c(OC(C)C)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,MYFGZQNBWMHNMM-UHFFFAOYSA-N
-rxn:4:219766:224680,O=C(c1ccc(F)c(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)c1)N1CCCCC1,IWMNYZBLUUYOHF-UHFFFAOYSA-N
-rxn:4:219778:222797,CCn1cc(-c2nc(-c3ccc(-c4cc(C)ccc4S(=O)(=O)NC(C)(C)C)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,BHZYHHGRIKJKEB-UHFFFAOYSA-N
-rxn:4:219853:224127,CCN1CCN(C(C)c2ccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)cc2)CC1,FBOPRZZOSUVYTO-UHFFFAOYSA-N
-rxn:4:219867:223687,CCN1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2[N+](=O)[O-])CC1,BZEWUNXKXQLETA-UHFFFAOYSA-N
-rxn:4:219907:223903,Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc(-c2ccccc2CCC(=O)N2CCC(=O)CC2)cc1,GUFCMZUPRLLYQW-UHFFFAOYSA-N
-rxn:4:219931:224304,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)c1Cl,GLFZQIDVCUPPRJ-UHFFFAOYSA-N
-rxn:4:219955:226121,CCc1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)ccc1OC(C)C,WHPZNQIPAJGYHS-UHFFFAOYSA-N
-rxn:4:220158:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CC4CN(c5cnccn5)CC4C3)cc2)CC1,SDZBIJGLPLYOBE-UHFFFAOYSA-N
-rxn:4:220209:223078,CCNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCc3cnc(N4CCOCC4)nc32)c(C)c1,SRMUVKJDVNICPH-UHFFFAOYSA-N
-rxn:4:220222:223812,Cc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,RLIYJFLRYFSIMJ-UHFFFAOYSA-N
-rxn:4:220470:223588,Cc1cc(-c2cncc(C(=O)N3CCn4nccc4C3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,BXYFWDVLZINUEZ-UHFFFAOYSA-N
-rxn:4:220536:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)cc2)CC1,VTKONKOAMUFREF-UHFFFAOYSA-N
-rxn:4:221088:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cnc(OCC3CCCN(Cc4nnc(C(F)(F)F)o4)C3)nc2)C1,JQGXYLRXQDZYGW-UHFFFAOYSA-N
-rxn:4:221094:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1cnn(CC2CN(C(=O)Cn3cnc(C4CC4)cc3=O)C2)c1,ACNRIAKPOJNQFJ-UHFFFAOYSA-N
-rxn:4:221100:224187,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCN4CCCCC4)cc3F)cn2)CC1,ASQOPQTVLDRAPE-UHFFFAOYSA-N
-rxn:4:221100:225540,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(C#N)c(OCC(C)C)c3)cn2)CC1,LIIQNXWRWQHXDL-UHFFFAOYSA-N
-rxn:4:221101:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nc5OC)C4)nc3)c2)CC1,LGVLMCVBGCLFNW-UHFFFAOYSA-N
-rxn:4:221107:225875,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(N5CCOCC5)cc4Cl)cn3)C2)c(=O)c1C,ORXMJZUIGKBGIX-UHFFFAOYSA-N
-rxn:4:221108:222430,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccc(S(=O)(=O)Nc5ccc(OC(F)(F)F)cc5)cc4)cn3)CC2)c(=O)c1C,YAOHWOSVOVHXID-UHFFFAOYSA-N
-rxn:4:221108:223533,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)c(=O)c1C,CTZKYPFXFKVFMN-UHFFFAOYSA-N
-rxn:4:221108:224265,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4cc(C5CCCCC5)cc(C(F)(F)F)c4)cn3)CC2)c(=O)c1C,UERHQZUMSUBIDL-UHFFFAOYSA-N
-rxn:4:221148:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc(OCC4CCCN(c5ncccc5C#N)C4)nc3)c2)CC1,OVNWACCYKPIGGF-UHFFFAOYSA-N
-rxn:4:221152:223743,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4snnc4C)C3)nc2)cc1OCCCN1CCC(C)CC1,BOPFJCSDUXJLIN-UHFFFAOYSA-N
-rxn:4:221165:222655,O=C(NC1CCCCC1)c1ccc(-c2cnc(N3CCC(COc4ccc(C5CC5)nn4)C3)nc2)cc1Cl,ZNDJSMYTRHCXBV-UHFFFAOYSA-N
-rxn:4:221169:222850,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCNCC5)ccc4C#N)cn3)C2)cn1,NTKRDXNSAFBTKC-UHFFFAOYSA-N
-rxn:4:221176:225182,Cc1nc(N2CCCC(COc3ncc(-c4ccnc(OC5CCCCC5)c4Cl)cn3)C2)cc(C(F)(F)F)n1,PSRGRFHWLDPKHL-UHFFFAOYSA-N
-rxn:4:221177:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(COc5cc(C6CC6)ncn5)CC4)nc3)c2Cl)CC1,FGHFDHIZLJCABC-UHFFFAOYSA-N
-rxn:4:221180:224285,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCOCC5)cc4F)cn3)CC2)nn1C,RSMPCNVKDDBZIP-UHFFFAOYSA-N
-rxn:4:221184:224915,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4ccc(N5CCCCC5C)cc4C)cn3)C2)n1,AOGJSRJNDNVQSO-UHFFFAOYSA-N
-rxn:4:221205:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1,SKNHCVIKPQPUOU-UHFFFAOYSA-N
-rxn:4:221208:227710,Cc1cc(N2CCN(CCc3ccc(-c4ccc(OS(C)(=O)=O)cc4)cc3)CC2)nc(N2CCOCC2)n1,JFSKSZRGJYVIJG-UHFFFAOYSA-N
-rxn:4:221209:227710,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(OS(C)(=O)=O)cc4)cc3)CC2)n1,YVJCWJDVSMBZGO-UHFFFAOYSA-N
-rxn:4:221230:224818,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cn3)C1)CCC2,LCVXGTIAYONISG-UHFFFAOYSA-N
-rxn:4:221232:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)s2)CC1,UJRBCPZORPHLFU-UHFFFAOYSA-N
-rxn:4:221232:224589,CC1CCN(Cc2cc(F)ccc2-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)CC1,XHSABIXHVLKELN-UHFFFAOYSA-N
-rxn:4:221240:223041,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cc(C(=O)NC5CC5)ccc4F)cn3)C1)CCC2,CVUMCVXERRYFJM-UHFFFAOYSA-N
-rxn:4:221245:223812,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)CC3)nn2c1C,GNXLYBVASOYTKU-UHFFFAOYSA-N
-rxn:4:221245:224584,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5cccc(C(=O)N6CCC(C)CC6)c5)c4)CC3)nn2c1C,LWHBOBLDTISCLE-UHFFFAOYSA-N
-rxn:4:221250:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCCCC4)C(c4nc5ccccc5[nH]4)C3)cc2)s1,RKXVTOPLTMZIKN-UHFFFAOYSA-N
-rxn:4:221307:223753,Cc1ccc(-c2cnccc2OC2CCN(c3nccnc3C#N)C2)cc1OCCCN1CCN(C)CC1,SLUHUZTWADCMCK-UHFFFAOYSA-N
-rxn:4:221320:222542,Cc1ccc(-c2cnn(CC3CN(C(=O)c4ccc(=O)n(C)n4)C3)c2)cc1OCCCN1CCNCC1,AMVOLLYBGQZCJW-UHFFFAOYSA-N
-rxn:4:221442:226486,COC(=O)COc1ccc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1,BTGUBFKRWWPSAS-UHFFFAOYSA-N
-rxn:4:221443:222694,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)c3)CC2)n1,XBTMRFUFFMEKBA-UHFFFAOYSA-N
-rxn:4:221446:222791,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4cc(NC(=O)OC(C)(C)C)ccc4Cl)cc3)CC2)n1,YSLBKKCKSMMVEV-UHFFFAOYSA-N
-rxn:4:221447:226844,Cc1cc(N2CCN(Cc3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)nc(N2CCOCC2)n1,XBLJZTGPPZKYOG-UHFFFAOYSA-N
-rxn:4:221449:223118,CCCC(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,QZIZOKCLEJMGON-UHFFFAOYSA-N
-rxn:4:221449:228311,CCCc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c(Cl)n1,QZYMYNPKMQWQIP-UHFFFAOYSA-N
-rxn:4:221455:223734,CC(C)(C)c1ccc(COc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCCCCC6)nn5)CC4)cc3)cc2)cc1,WOBNXMIMDQSGMO-UHFFFAOYSA-N
-rxn:4:221456:223239,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,PEZYAKYUXHSEBI-UHFFFAOYSA-N
-rxn:4:221492:223897,COc1ccc2nnc(C3CCN(C(=O)c4ccc(-c5ccc(C)c(OCCCN6CCOCC6)c5)o4)CC3)n2n1,KFFVVNMUBJFYFK-UHFFFAOYSA-N
-rxn:4:221538:225291,CC(C)Oc1cc(C(F)(F)F)ccc1-c1ccc(Cn2c(CN3CCCCC3C)nc3c2c(=O)n(C)c(=O)n3C)cc1,RYSYRPGLSKSNDF-UHFFFAOYSA-N
-rxn:4:221578:223602,CN(C)C=Nc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)nc1C#N,OWYJDRZQXNLEQS-UHFFFAOYSA-N
-rxn:4:221726:225803,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccnc(OC4CCOCC4)c3)cn2)CC1,MDXQTVXALXNQNM-UHFFFAOYSA-N
-rxn:4:221736:223641,CCc1cc2c(cc1F)cc(-c1cncc(C(=O)N3CC4CN(c5nc(C)nc6c5CCC6)CC4C3)c1)n2C(=O)OC(C)(C)C,RSTPAOAZWYZFQO-UHFFFAOYSA-N
-rxn:4:221740:222584,CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2)n(C)c1=O,YIYNFYXLCOUVKA-UHFFFAOYSA-N
-rxn:4:221832:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,NFNLTZWMVXZWGB-UHFFFAOYSA-N
-rxn:4:221836:224633,COc1ccc(CN2CCOCC2)cc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,DHPQSMCCUWQLOE-UHFFFAOYSA-N
-rxn:4:221932:223669,COc1nc(OC)nc(N2CC(Cn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cn3)C2)n1,HWYGGXNFDVZRMT-UHFFFAOYSA-N
-rxn:4:221937:223945,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC2)nn1,KNIXYMBFQMIPBA-UHFFFAOYSA-N
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-rxn:5:177373:227804:223006,O=[N+]([O-])c1cc(-c2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,QWDPOJUATAVZLF-UHFFFAOYSA-N
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-rxn:5:177736:225976:225805,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccnc(N3CCOCC3)c2F)s1)N1CCOCC1,DRJTTXPQORDARU-UHFFFAOYSA-N
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-rxn:5:177739:225453:226060,CC(C)(C)OC(=O)c1cccc(-c2cccc(SC3CCCCC3)c2)c1-c1cc(C2CC2)cc(C2CC2)c1,SYFOIKGPFFPCBV-UHFFFAOYSA-N
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-rxn:5:177891:223240:225632,CN1CCN(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(C4CCNC4)nc3)c2)CC1,KZLNYSDFPFAFGF-UHFFFAOYSA-N
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-rxn:5:177891:223285:226182,CS(=O)(=O)Nc1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cccnc1C1CCCCC1,FEMKNLRDHZCTJQ-UHFFFAOYSA-N
-rxn:5:177891:223384:226447,CNC(=O)c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCOCC3)c2)cn1,PNWGZYXBGQCKFI-UHFFFAOYSA-N
-rxn:5:177891:225798:228306,CC(C)Sc1ncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3CCOCC3)nc2)cn1,XTSBOTPMHKMVFO-UHFFFAOYSA-N
-rxn:5:177891:225976:226328,CC(C)(C#N)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(N3CCOCC3)c2F)cc1F,RPHFSNJIXIQEPB-UHFFFAOYSA-N
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-rxn:5:177891:226444:228307,CON(C)c1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCCO3)nc2C)ccn1,CIIYBZWMXDDGKH-UHFFFAOYSA-N
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-rxn:5:177891:226643:223311,O=C(SC1CS(=O)(=O)CC1c1cccc(C2CNC2)c1)c1ccccc1-c1ccc(N2CCOCC2)nc1,IIWMNMQVVTVVBG-UHFFFAOYSA-N
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-rxn:5:177891:226645:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1ccnc(N2CCOCC2)c1,MLBXRNVZEJJPQZ-UHFFFAOYSA-N
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-rxn:5:177891:227654:227375,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCCC2)nc1)c1ccccc1-c1ccc(C2OCCO2)nc1,RBPQYGNHOKBZLR-UHFFFAOYSA-N
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-rxn:5:178117:227710:225805,CC(c1ccc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCOCC2)s1)N1CCOCC1,PRPKVQHBNGRHIF-UHFFFAOYSA-N
-rxn:5:178117:227710:226662,CN1CCN(c2ccc(-c3ccc(-c4ccc(OS(C)(=O)=O)cc4)cc3OCC3CCOCC3)s2)CC1,YFYYYARMSWZDIA-UHFFFAOYSA-N
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-rxn:5:178118:223294:223189,CS(=O)(=O)Nc1ccc(-c2ccc(-c3csc(N4CCNCC4)n3)c(OCC3CCCCO3)c2)c(F)c1,SVRSSFQSTHDPRR-UHFFFAOYSA-N
-rxn:5:178119:225636:223281,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccnc(N3CCC(C)CC3)c2)c1-c1ccc(C2(O)COC2)nc1,OORORYBMXZMGAN-UHFFFAOYSA-N
-rxn:5:178121:223189:223294,CS(=O)(=O)Nc1ccc(-c2c(OCC3CCOCC3)cccc2-c2csc(N3CCNCC3)n2)c(F)c1,ADADHKTZRDQWSN-UHFFFAOYSA-N
-rxn:5:178295:222404:228969,COC(=O)C1(c2cc(-c3cscc3C(F)(F)F)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,JDKODDFNCCKEAM-UHFFFAOYSA-N
-rxn:5:178295:223113:228583,COC(=O)C1(c2cc(-c3ccnc(C(C)C)c3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCC(=O)CC1,NKRIGOBNFDCZJK-UHFFFAOYSA-N
-rxn:5:178295:226068:228811,COC(=O)C1(c2cc(-c3cc(SC)ccc3F)ccc2-c2c(C)cc(C(C)(C)C)cc2C)CCC(=O)CC1,AGHFIJYNYVYLQI-UHFFFAOYSA-N
-rxn:5:178295:226582:227819,CCc1cc(CC)cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GOLIUNXHCIQUKM-UHFFFAOYSA-N
-rxn:5:178295:226710:228768,CCc1cc(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,SZSVJGPMLQBLPW-UHFFFAOYSA-N
-rxn:5:178295:226769:228619,CCc1cc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1F,UXVWWFVRVQMNQK-UHFFFAOYSA-N
-rxn:5:178295:227102:228179,COCc1cc(F)cc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GDEHYTOSZMBNAO-UHFFFAOYSA-N
-rxn:5:178295:227501:223061,COC(=O)C1(c2cc(-c3cc(C4CCNCC4)ncc3F)ccc2-c2ccc(C=C[N+](=O)[O-])cc2)CCC(=O)CC1,SHCQXOCWNJNXAD-UHFFFAOYSA-N
-rxn:5:178295:227525:227926,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(SC(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,APAOQOQVJBUIKN-UHFFFAOYSA-N
-rxn:5:178295:227525:228268,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C)c(F)c2SC)cc1C1(C(=O)OC)CCC(=O)CC1,SMBOASMJSVOXLS-UHFFFAOYSA-N
-rxn:5:178295:227548:223063,CCOc1ccc(F)c(F)c1-c1ccc(-c2cc(F)nc(C3CCNCC3)c2)cc1C1(C(=O)OC)CCC(=O)CC1,VIJMFQHGSOAYRG-UHFFFAOYSA-N
-rxn:5:178295:227718:227819,CCc1cc(CC)cc(-c2ccc(-c3ccc(OC(F)F)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,PVXKHUHZUCVGFY-UHFFFAOYSA-N
-rxn:5:178295:228005:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C)c(SC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZCAZNLKGRLIZLT-UHFFFAOYSA-N
-rxn:5:178295:228268:227077,CCC(C)c1ccc(-c2ccc(-c3ccc(C)c(F)c3SC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,DNHFMIKCUDMMHA-UHFFFAOYSA-N
-rxn:5:178295:228272:227346,CCCc1cc(F)c(-c2ccc(-c3ccc(C)c(OC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,AXGJJYVVURBGFT-UHFFFAOYSA-N
-rxn:5:178295:228428:227355,CCOc1ccc(C)c(F)c1-c1ccc(-c2cc(OC)cc(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,SBLBWRXMZLPZHV-UHFFFAOYSA-N
-rxn:5:178313:225453:227030,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc(C#N)cc2C2CC2)c1,OJRMCEPODXSQPG-UHFFFAOYSA-N
-rxn:5:178313:225498:227036,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCCC3)ccc2F)c(-c2cc(C3CC3)ccc2C#N)c1,SESLWVSAIYRKKF-UHFFFAOYSA-N
-rxn:5:178313:225499:227094,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCC3)cc2F)c(-c2cnccc2C2CCCC2)c1,BWMGSNIPHCVVLU-UHFFFAOYSA-N
-rxn:5:178313:226067:226150,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3=CCCCC3)cc2)c(-c2cccc(SC3CCCC3)c2)c1,GYMOSWLRYDUHNJ-UHFFFAOYSA-N
-rxn:5:178313:226067:226191,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3=CCCCC3)cc2)c(-c2cc(C3CCCC3)ccc2F)c1,ATOGENJQHRKQFW-UHFFFAOYSA-N
-rxn:5:178313:226761:225987,CSc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc(N3CCCS3(=O)=O)cc2)c(C(F)(F)F)c1,HQZKSGAREHIFOK-UHFFFAOYSA-N
-rxn:5:178313:227716:225451,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(F)c2OC(F)F)c(-c2ccc(SC3CCCCC3)cc2)c1,LVYBEYGPWWMFFI-UHFFFAOYSA-N
-rxn:5:178314:223063:227506,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(F)nc(C3CCNCC3)c2)ccc1-c1cccc(/C=C/[N+](=O)[O-])c1,KGSRHJTVWWHKQI-DTQAZKPQSA-N
-rxn:5:178314:225451:227102,CC(C)(C)c1ccc(F)c(-c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2O[Si](C)(C)C(C)(C)C)c1,DCPILGXEHFKXSV-UHFFFAOYSA-N
-rxn:5:178314:225806:227093,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnc(OC3CCCC3)cc2F)ccc1-c1cccnc1C1CCCC1,GWLVRXQOTGNMRZ-UHFFFAOYSA-N
-rxn:5:178314:226922:225498,Cc1cc(C2CC2)cc(C)c1-c1ccc(-c2cc(C3CCCCC3)ccc2F)c(O[Si](C)(C)C(C)(C)C)c1,SYWLHUHSYDEKQB-UHFFFAOYSA-N
-rxn:5:178315:225453:227031,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCCC3)c2)cc(-c2ccc(C3CC3)cc2C#N)c1,YBORCSZGSSJDIF-UHFFFAOYSA-N
-rxn:5:178315:225591:223203,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3(O)CCC3)c2)cc(-c2cc(CN3CCCC3)ccc2F)c1,KZSCGVRNTQIECB-UHFFFAOYSA-N
-rxn:5:178315:225671:227044,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C3CC3)cc2)cc(-c2cc(C3CCCCC3)ncc2F)c1,RSXIAXQESQTIIW-UHFFFAOYSA-N
-rxn:5:178315:226139:223064,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCNCC3)nc2F)cc(-c2cc(C3CC3)cnc2C2CC2)c1,BRPUIBNZINTIEJ-UHFFFAOYSA-N
-rxn:5:178315:226190:226438,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCC3)cc2F)cc(-c2cnc(C3CCCC3)cc2F)c1,KVXVJLUPKLVKBP-UHFFFAOYSA-N
-rxn:5:178315:226191:227103,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCCC3)ccc2F)cc(-c2sccc2C2CCCCC2)c1,OTCUVWMTDULDTN-UHFFFAOYSA-N
-rxn:5:178466:225584:223062,CC(C)OC(=O)c1sc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2c1-c1cnc(C2CCNCC2)cc1F,DGCQPVIPCQMMOV-UHFFFAOYSA-N
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-rxn:5:178467:223061:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,HNJFEELETZMIDH-UHFFFAOYSA-N
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-rxn:5:178467:223378:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3cnc4c(c3)NCCO4)c2OC1,JTRLEJWJEKFVSN-UHFFFAOYSA-N
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-rxn:5:178467:225982:228320,CCOC(=O)C1=Cc2cc(-c3ccnc(C(=O)OC)c3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,LOCQLOZKAVQDBW-UHFFFAOYSA-N
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-rxn:5:178467:226794:228140,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)N(C)C)s3)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,MIFHXCGJGMEMKQ-UHFFFAOYSA-N
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-rxn:5:178467:227278:226685,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCOCC4)nc3)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,BHNPDARUEDYUTD-UHFFFAOYSA-N
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-rxn:5:178467:227703:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,JEKHOFAWCRVEJW-UHFFFAOYSA-N
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-rxn:5:178467:228317:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3ccc(C(=O)OC)nc3)c2OC1,IQCAPEAMIDIGAP-UHFFFAOYSA-N
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-rxn:5:178467:228321:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cncc(C(=O)OC)c3)c2OC1,IKWVDFOLTAXKLI-UHFFFAOYSA-N
-rxn:5:178467:228457:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnc(C(=O)OC)nc3)c2OC1,QOYSMQPACVVCRQ-UHFFFAOYSA-N
-rxn:5:178467:228653:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cnn4c3CCCC4)c2OC1,XWQZNOVFDMUDDF-UHFFFAOYSA-N
-rxn:5:178467:228974:225613,CCOC(=O)C1=Cc2cc(-c3ccnc(OC4CCCCC4)c3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,PKKHPYOWBILDIC-UHFFFAOYSA-N
-rxn:5:178467:228974:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,BOQDYZYRYOHPCD-UHFFFAOYSA-N
-rxn:5:179418:225581:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(CN3CCOCC3)cc2)s1)N1CCOCC1,HABWOCXWWARZNJ-UHFFFAOYSA-N
-rxn:5:179418:225585:223054,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccccc2CN2CCOCC2)s1)N1CCC(O)C1,WEZJNAYFKCORDZ-UHFFFAOYSA-N
-rxn:5:179418:225805:222984,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(CN3CCC(O)C3)cc2)s1)N1CCOCC1,SIMARFMGOBARSZ-UHFFFAOYSA-N
-rxn:5:179418:225805:226330,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(C(C)N3CCOCC3)s2)s1)N1CCCC1,JPHBDBUGGMITNQ-UHFFFAOYSA-N
-rxn:5:179629:225514:226661,COc1ccc(-c2cccc3c2OCC2(CC2)CO3)c(S(C)(=O)=O)c1-c1cc(N2CCN(C)CC2)cs1,UCTOTJLPPXMICM-UHFFFAOYSA-N
-rxn:5:180267:225811:225924,CSc1cc(C(C)(C)C)cc(-c2ccc(C3(C(F)(F)F)CC3)cc2)c1-c1ccc(S(=O)(=O)N(C)C)cc1C,JVSSRCUERUOHSY-UHFFFAOYSA-N
-rxn:5:180267:225928:225811,CSc1cc(C(C)(C)C)cc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c1-c1ccc(C2(C(F)(F)F)CC2)cc1,TYHAJJWWAVQAOX-UHFFFAOYSA-N
-rxn:5:180297:223001:227506,COc1cc(-c2cc(C3CCCNC3)ccc2F)c(C2(C)OCCO2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1,LTVNNPZSLUSERF-ZRDIBKRKSA-N
-rxn:5:180297:225808:227207,COc1cc(-c2cc(OC3CCCC3)ncc2F)c(C2(C)OCCO2)cc1-c1cccc2c1OCCC2=O,UIGWBMNFWZXKRU-UHFFFAOYSA-N
-rxn:5:180402:226331:222405,N#CC1(c2ccc(-c3ccc(C(=O)C4CCCCC4)c(-c4cccc(C5NC(=O)NC5=O)c4)c3)c(F)c2)CC1,KXIDLUUWDYSJRF-UHFFFAOYSA-N
-rxn:5:180402:227018:225451,CC(C)(C#N)c1ccc(-c2ccc(C(=O)C3CCCCC3)c(-c3ccc(SC4CCCCC4)cc3)c2)cc1,PVRYGPZCKFOAEH-UHFFFAOYSA-N
-rxn:5:180422:226414:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(C2=NCCCO2)cc1,PEDJVUDFTDONRM-UHFFFAOYSA-N
-rxn:5:180602:222984:223139,COC(=O)C1Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3ccc(CN4CCC(O)C4)cc3)c2O1,PDBLKBFZMJXFOF-UHFFFAOYSA-N
-rxn:5:180602:225938:225587,COC(=O)C1Cc2cc(-c3cccc(CN4CCOCC4)c3)cc(-c3cc(C(F)(F)F)ncc3C3CC3)c2O1,PUVDRXPMEICFDK-UHFFFAOYSA-N
-rxn:5:180602:226663:225849,COC(=O)C1Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3ccc(N4CCSCC4)nc3)c2O1,CVBRNNXCUVXIAN-UHFFFAOYSA-N
-rxn:5:180662:223134:226854,COC(=O)C1=Cc2cc(-c3c(F)ccc(OC)c3[N+](=O)[O-])cc(-c3cnccc3C3CCCNC3)c2OC1,NGQRLFLEOXWQTQ-UHFFFAOYSA-N
-rxn:5:180662:223239:222405,COC(=O)C1=Cc2cc(-c3cccc(C4NC(=O)NC4=O)c3)cc(-c3cncc(C4CCCN4)c3)c2OC1,NFGPJMNOFZMIJX-UHFFFAOYSA-N
-rxn:5:180662:225600:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cccnc3OC3CCCCC3)c2OC1,BVHYQANXWXOSIX-UHFFFAOYSA-N
-rxn:5:180662:225613:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccnc(OC4CCCCC4)c3)c2OC1,YFMYMTKZTRWTPO-UHFFFAOYSA-N
-rxn:5:181904:225832:226649,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cccnc1N1CCOCC1,IJQIWBVNQWAIJZ-UHFFFAOYSA-N
-rxn:5:181907:225407:225805,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1,UTDSGHNISKIKNJ-UHFFFAOYSA-N
-rxn:5:181908:222996:222987,Cc1cc(-c2ccc(F)cc2C2CCCNC2)c(-c2ccc(C3CCNCC3)nc2C)cc1C1OCCO1,OSUDKVTYAIXTKX-UHFFFAOYSA-N
-rxn:5:181908:225439:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cccc(C(C)N3CCCC3)c2)cc(C2CCCNC2)c1,JIMBGEVKCULVCP-UHFFFAOYSA-N
-rxn:5:181908:225465:225985,Cc1cc(-c2cccc(C3CCN(C)CC3)c2)c(-c2cccc(N3CCCS3(=O)=O)c2)cc1C1OCCO1,SWVDMGFYVPUFJJ-UHFFFAOYSA-N
-rxn:5:181908:226571:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cnn(CC3CCOCC3)c2)cc(C2CCCNC2)c1,LMIFIAWFJVGMNB-UHFFFAOYSA-N
-rxn:5:181908:226662:225926,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1C1OCCO1,NBVZLHCOJFEPMS-UHFFFAOYSA-N
-rxn:5:181908:227390:225805,Cc1cc(-c2ccnn2C2CCCCC2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1C1OCCO1,ZGWDFSBUFNWART-UHFFFAOYSA-N
-rxn:5:182009:222996:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(F)cc2C2CCCNC2)c(C2CCOCC2)c1,ZJALPMUSYWDILO-UHFFFAOYSA-N
-rxn:5:182012:225832:226067,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3=CCCCC3)cc2)c(C2CCCOC2)c1,BSTBAKSRRDDGKB-UHFFFAOYSA-N
-rxn:5:188632:223056:223061,COC(=O)c1nc(OC)c(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1cc(C2CCNCC2)ncc1F,XUDCQGHGRMVNNP-UHFFFAOYSA-N
-rxn:5:188633:225652:223061,COC(=O)c1c(-c2cncc(N3CCCC(C)C3)c2)cnc(OC)c1-c1cc(C2CCNCC2)ncc1F,FJCHQNOBUVLHLQ-UHFFFAOYSA-N
-rxn:5:188633:225982:223065,COC(=O)c1c(-c2cnc(N3CCOCC3)cc2F)cnc(OC)c1-c1ccc(N2CCNCC2)cc1F,ULUSWXYBTLALJE-UHFFFAOYSA-N
-rxn:5:188633:226662:225976,COC(=O)c1c(-c2ccc(N3CCN(C)CC3)s2)cnc(OC)c1-c1ccnc(N2CCOCC2)c1F,KADOVJWRFCYOKL-UHFFFAOYSA-N
-rxn:5:188868:226052:225456,CC(C)OC(=O)c1ccnc(-c2ccc(C3CCN(C)CC3)cc2)c1-c1c(F)ccc(OC(F)(F)F)c1F,YEZSQNGHFLPVSR-UHFFFAOYSA-N
-rxn:5:188873:222987:222998,CON(C)C(=O)c1cc(-c2cc(F)cc(C3CCCNC3)c2)ccc1-c1ccc(C2CCNCC2)nc1C,YEOZJCDJTWNWCH-UHFFFAOYSA-N
-rxn:5:188874:223064:223001,CON(C)C(=O)c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1-c1ccc(C2CCNCC2)nc1F,WYXRQNISLBCABS-UHFFFAOYSA-N
-rxn:5:188930:223135:223148,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1ccccc1C1CNCCO1,POJAOVIUDKYKCJ-UHFFFAOYSA-N
-rxn:5:188930:223139:226794,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)cc1-c1cnc(N2CCSCC2)nc1,CCXLOWVCFXFKOA-UHFFFAOYSA-N
-rxn:5:188932:225655:226177,COC(=O)c1cc(-c2cncc(N3CCC(C)CC3)c2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)c1,FBZGVTSLGMEHQE-UHFFFAOYSA-N
-rxn:5:189208:225816:223216,O=C1CCc2cc(-c3cc(-c4cc(C5CC5)ccc4C(F)(F)F)ccc3C(=O)ON3C(=O)CCC3=O)ccc2N1,XCKMZYAEJFUOMO-UHFFFAOYSA-N
-rxn:5:189209:226188:225622,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccccc2OC2CCCCO2)c1,DDEFLOVMLSBQJC-UHFFFAOYSA-N
-rxn:5:189209:228116:226395,CC(C)Oc1ncccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cncc(N3CCCCC3)c2)c1,WPOMKFAUZXXAHW-UHFFFAOYSA-N
-rxn:5:189209:228761:223002,COc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCNCC4)cc3F)c2)cnc1C,BHTFWLOMIPCCTP-UHFFFAOYSA-N
-rxn:5:189210:226679:228678,CC(C)Cn1nccc1-c1cccc(-c2cnc(N3CCCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,NGWKALFBSJDVAC-UHFFFAOYSA-N
-rxn:5:189210:227795:227795,O=C(ON1C(=O)CCC1=O)c1c(-c2ccc(F)c([N+](=O)[O-])c2F)cccc1-c1ccc(F)c([N+](=O)[O-])c1F,XARBNSJPCHSGJZ-UHFFFAOYSA-N
-rxn:5:189211:225394:227294,Cc1cnc(OC(C)C)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cc(C3CCC3)cc(C3CC3)c2)c1,YQRHHDBEUPZVGV-UHFFFAOYSA-N
-rxn:5:189211:227166:225448,Cc1ccc(OC2CCCC2)c(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc3c(c2)OCCN3C)c1,OFBRFUPUOFVHRF-UHFFFAOYSA-N
-rxn:5:189319:225447:225450,CC(C)(C)OC(=O)c1nc(-c2ccc(C(=O)C3CCCC3)cc2)ccc1-c1ccc(OC2CCCCC2)cc1,OTYLQLLZRKWOIC-UHFFFAOYSA-N
-rxn:5:189665:225631:227710,CN1CCN(c2ccc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)cc2)CC1,RFXAXRYMZCUSOL-UHFFFAOYSA-N
-rxn:5:189665:225632:227710,CN1CCN(c2cccc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)c2)CC1,CJKVVLKXHUDFAF-UHFFFAOYSA-N
-rxn:5:189665:225637:227710,CN1CCN(c2ccccc2-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)CC1,LMARTOQIAYMVDO-UHFFFAOYSA-N
-rxn:5:189665:227710:225637,CN1CCN(c2ccccc2-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)CC1,HQKILVTVOYNEHK-UHFFFAOYSA-N
-rxn:5:189667:225576:226411,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(N3CCOCC3)cc2)cc(-c2ccc(N3CCCC3)c(C#N)c2)c1,SNKPMTJGQJHMSL-MUAVMNIOSA-N
-rxn:5:189718:225937:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc([N+](=O)[O-])c(OC2CCOCC2)cc1-c1cc(C(F)(F)F)ncc1C(C)C,LCZQIJXMTALJRH-UHFFFAOYSA-N
-rxn:5:189829:226794:227581,CCOc1c(F)ccc(-c2cc(C(=O)N3CCCC3)cc(-c3cnc(N4CCSCC4)nc3)c2OC)c1F,RPHAXSPGGBZXAV-UHFFFAOYSA-N
-rxn:5:189908:226030:226151,COc1c(F)cc(-c2cnc(-c3cc(C)c(C)cc3OC(C)C)c(OCC3CCCCC3)c2)cc1C(F)(F)F,UEFIWZSMMRALOT-UHFFFAOYSA-N
-rxn:5:189910:226664:225833,Fc1cnc(N2CCCC2)cc1-c1ccc(-c2ccnc(N3CCCCC3)c2F)c(CCN2CCOCC2)c1,FUYIUFXSKYNBQL-UHFFFAOYSA-N
-rxn:5:189952:225784:223062,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnc(C2CCNCC2)cc1F,NFRPEDVZYYVHIB-UHFFFAOYSA-N
-rxn:5:189952:225808:228690,CCOc1cncc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(OC4CCCC4)ncc3F)c2OC)c1,RBAJFFOVZZJKFL-UHFFFAOYSA-N
-rxn:5:189952:225982:223066,COC(=O)c1n[nH]c2cc(-c3cc(C(=O)N4CCOCC4)cc(-c4cnc(N5CCOCC5)cc4F)c3OC)ccc12,UYSHLOZMAUKNTC-UHFFFAOYSA-N
-rxn:5:190127:227768:228450,COC1CCN(C(=O)c2cc(-c3cccn3S(=O)(=O)N(C)C)ccc2-c2cc(C)c(F)c(F)c2F)CC1,JBVITHIVPOEYFO-UHFFFAOYSA-N
-rxn:5:190127:228114:225453,COc1cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)ccc1C#N,JQLAWEGQUOBHDF-UHFFFAOYSA-N
-rxn:5:190128:226150:228126,COc1ccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cccc(SC3CCCC3)c2)c(C#N)c1,JOKUYYPYFBWYMH-UHFFFAOYSA-N
-rxn:5:190131:226450:223263,CNC(=O)c1ccc(F)c(-c2cc(C(=O)N3CCCCC3)cc(-c3cccc(C4(C)OCCO4)c3)c2OC)c1,WQACPVBQQICMAZ-UHFFFAOYSA-N
-rxn:5:190195:222417:225655,CC1CCN(c2cncc(-c3cc(CN(C)C4CCOCC4)ccc3-c3cnc(=O)[nH]c3C(C)C)c2)CC1,LFXRSMDSPDIWBK-UHFFFAOYSA-N
-rxn:5:190195:225784:223113,CN(Cc1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,ILBUNKBTJGJNMH-UHFFFAOYSA-N
-rxn:5:190196:223113:223062,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cnc(C2CCNCC2)cc1F)C1CCOCC1,CKHZIIVZQBKIPJ-UHFFFAOYSA-N
-rxn:5:190196:225881:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccc(C3CCOCC3)nc2F)ccc1CN(C)C1CCOCC1,KOMLRHYPDKYCEQ-UHFFFAOYSA-N
-rxn:5:190199:222417:225598,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cccc(CN3CCSCC3)c2)cc1CN(C)C1CCOCC1,RWOZKFDSIOCBQD-UHFFFAOYSA-N
-rxn:5:190199:223113:227491,CN(Cc1cc(-c2cnc(OC3CCC3)nc2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,FGLRWDQIXANAOV-UHFFFAOYSA-N
-rxn:5:190199:226364:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(N2CCCCC2)nc1)C1CCOCC1,ZXYAJHSRMZJISQ-UHFFFAOYSA-N
-rxn:5:190231:228504:226172,COc1c(-c2cc(N3CCCC3)ccc2C)cc(C(=O)N2CCOC(C)C2)cc1-c1cccc2c1CCC2,ORIKFRNQWDGDEX-UHFFFAOYSA-N
-rxn:5:190264:227052:227525,CCc1cnc(C(F)F)cc1-c1ccc(CC(=O)N2CCC(C)CC2)cc1-c1ccc(SC(C)(C)C)cc1,LNQWETRRTVXJOR-UHFFFAOYSA-N
-rxn:5:190264:228710:225980,CC1CCN(C(=O)Cc2ccc(-c3cc(N4CCOCC4)ncc3F)c(-c3cnc(C(C)C)nc3)c2)CC1,IQHOOLZUNUHGRH-UHFFFAOYSA-N
-rxn:5:190308:228104:226052,CC1CCCN(CCc2cc(-c3c(C#N)cccc3C#N)ccc2-c2c(F)ccc(OC(F)(F)F)c2F)C1,GXFXCNIKPMOUJJ-UHFFFAOYSA-N
-rxn:5:190335:229118:225441,COc1c(-c2cc(C)nc(F)c2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C2CC2)cnc1C(C)(C)C,LXRFMJSLDNRMRR-UHFFFAOYSA-N
-rxn:5:190336:228649:223064,COc1c(-c2ccc(C3CCNCC3)nc2F)cc(C(=O)N2CCCC(C)C2)cc1-c1c(C)cc(C)cc1F,CVMWWTPMXBGSNR-UHFFFAOYSA-N
-rxn:5:190337:225621:228401,COc1c(-c2ccc(OC3CCOC3)c(C)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1c(F)ccc(F)c1OC,RGTWMHXTNFXQJK-UHFFFAOYSA-N
-rxn:5:190337:227052:227933,CCc1ccc(OC)cc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2ccc(SC(C)(C)C)cc2)c1OC,OXIFZMXUIUSVEV-UHFFFAOYSA-N
-rxn:5:190404:228327:223065,COc1cc(-c2ccc(C(=O)N3CCSC(c4ccccc4-c4ccc(N5CCNCC5)cc4F)CC3)o2)cnc1OC,VORPUJFDICYJNE-UHFFFAOYSA-N
-rxn:5:190484:223147:223147,O=C(c1cccc(-c2ccc(C3CNCCO3)cc2)c1)N1CCC(c2ccccc2-c2ccc(C3CNCCO3)cc2)S(=O)(=O)CC1,QPTCOMFTSRCAOW-UHFFFAOYSA-N
-rxn:5:190484:225639:228918,CC1CCN(c2ncccc2-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C(F)F)S(=O)(=O)CC3)c2)CC1,MESROULSZOFGRO-UHFFFAOYSA-N
-rxn:5:190484:225805:223312,CC(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CNC5)cc4)S(=O)(=O)CC3)c2)s1)N1CCOCC1,KBSYRVGBFIKLMR-UHFFFAOYSA-N
-rxn:5:190484:226059:228928,CC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccnc4C(F)F)S(=O)(=O)CC3)c2)c(C(C)C)c1,OOFUGLDWYUHZEH-UHFFFAOYSA-N
-rxn:5:190484:226589:228282,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccccc3C(C)(F)F)S(=O)(=O)CC2)c1,RLKQXSZRCHUNEQ-UHFFFAOYSA-N
-rxn:5:190484:227045:227412,CC(C)(C)Sc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(C(C)(C)C)cc4F)S(=O)(=O)CC3)c2)c1,STYFFEHHJUOLOZ-UHFFFAOYSA-N
-rxn:5:190484:227076:227409,CCC(C)c1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c1,OIMMOWVNZFOLFB-UHFFFAOYSA-N
-rxn:5:190484:227449:228965,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,WKPGMCZFPSWNFY-UHFFFAOYSA-N
-rxn:5:190484:227812:227319,CC(C)Cc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(CC(C)C)ncc4F)S(=O)(=O)CC3)c2)c1,FOBDATAMXPBTMJ-UHFFFAOYSA-N
-rxn:5:190484:227912:227415,COC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4F)S(=O)(=O)CC3)c2)cc1,JZPXYTPOBJACLJ-UHFFFAOYSA-N
-rxn:5:190484:227944:225498,CC(C)(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CCCCC5)ccc4F)S(=O)(=O)CC3)c2)c1,LLVMIAAPLVSLEI-UHFFFAOYSA-N
-rxn:5:190484:227971:227408,CC(C)(C)c1ccncc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C4CCC4)ncc3F)S(=O)(=O)CC2)c1,IEPKKTOFHODCJU-UHFFFAOYSA-N
-rxn:5:190484:228610:227408,CC(C)(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CCC5)ncc4F)S(=O)(=O)CC3)c2)s1,ZZLWBHADILYLLX-UHFFFAOYSA-N
-rxn:5:190484:228868:223131,COC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(N5CCNCC5)cc4)S(=O)(=O)CC3)c2)s1,XNCXFISBBMFNAN-UHFFFAOYSA-N
-rxn:5:190712:225938:222960,CCOC(=O)c1c(-c2cc(C(F)(F)F)ncc2C2CC2)c2cc(-c3cc(C)cc(C4CCNCC4)c3)ccc2n1C,ZBUJMNCRAXWAPK-UHFFFAOYSA-N
-rxn:5:190740:223062:225980,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCNCC4)cc3F)cc2c1-c1cc(N2CCOCC2)ncc1F,WEWGOMPAOAKRBB-UHFFFAOYSA-N
-rxn:5:190740:225976:225978,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(N2CCOCC2)nc1F,QIYIHBWLVBLHEN-UHFFFAOYSA-N
-rxn:5:190741:223056:225849,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,HYVHVYWEGLHBNT-UHFFFAOYSA-N
-rxn:5:190741:225834:225976,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,PETFSRNTCFHMFB-UHFFFAOYSA-N
-rxn:5:190741:225982:225980,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1cc(N2CCOCC2)ncc1F,CZGXKFZLKDGYBJ-UHFFFAOYSA-N
-rxn:5:190742:223056:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1ccc(N2CCNCC2)cc1F,VYMYWLLPHKGKSK-UHFFFAOYSA-N
-rxn:5:190742:223056:225834,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cc(N2CCCCC2)ncc1F,WQHVGERVUOPGGB-UHFFFAOYSA-N
-rxn:5:190742:225607:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCCCC4)s3)c2c1-c1ccc(C2CCNCC2)nc1F,NGOPCGOFVMPMQS-UHFFFAOYSA-N
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-rxn:5:190742:225849:225980,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cc(N2CCOCC2)ncc1F,YFKLPXWFEWJEIR-UHFFFAOYSA-N
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-rxn:5:190797:225394:226146,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(SC4CCCC4)cc3)cc(-c3cc(C4CCC4)cc(C4CC4)c3)cc21,FOEMANYHEYZCJR-UHFFFAOYSA-N
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-rxn:5:193467:225812:226366,Cc1cc(-c2ccc(-c3ccnc(N4CCCCC4)c3)cc2C(=O)N2CCC[C@@H]2C)c(F)c(OC(C)C)c1F,XVENCLDVZHFRDW-QFIPXVFZSA-N
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-rxn:5:194561:225872:223285,CS(=O)(=O)Nc1ccccc1-c1ccc(-c2cc(F)c(F)c(N3CCCC3)c2)cc1C(=O)N1C2CCC1COC2,SGNQERAJCNAZON-UHFFFAOYSA-N
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-rxn:5:196789:226395:223064,O=C1COCCN1c1ccc(-c2cncc(N3CCCCC3)c2)cc1-c1ccc(C2CCNCC2)nc1F,DARWYZAZIZBTRZ-UHFFFAOYSA-N
-rxn:5:196791:225881:225655,CC1CCN(c2cncc(-c3c(-c4ccc(C5CCOCC5)nc4F)cccc3N3CCOCC3=O)c2)CC1,MVRPSALVTCVYJP-UHFFFAOYSA-N
-rxn:5:196791:226664:223061,O=C1COCCN1c1cccc(-c2cc(N3CCCC3)ncc2F)c1-c1cc(C2CCNCC2)ncc1F,AUJNIZVYDSRUTO-UHFFFAOYSA-N
-rxn:5:196793:225926:226429,CC1CCCN(c2ccc(-c3cc(N4CCOCC4=O)ccc3-c3ccc(S(=O)(=O)N4CCC4)cc3)s2)C1,PDZJZQAHGKANDR-UHFFFAOYSA-N
-rxn:5:196858:225832:223131,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1ccc(N2CCNCC2)cc1,SAPFACAPJSPCRD-UHFFFAOYSA-N
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-rxn:5:196969:226182:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1cccnc1C1CCCCC1,MARLTJJVEGPBGT-UHFFFAOYSA-N
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-rxn:5:197876:223421:226826,CNC(C)c1ccc(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)s1,PRFHYMAHCFOXMT-UHFFFAOYSA-N
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-rxn:5:197876:225498:227817,CC(C)Cc1ccccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LFKPRUOGBWEPTK-UHFFFAOYSA-N
-rxn:5:197876:225498:228283,CC(=O)c1cc(F)ccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,DCDCHRAMSOTZRQ-UHFFFAOYSA-N
-rxn:5:197876:225499:223230,CC(=O)Nc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,IJIOIKVRDBUWKA-UHFFFAOYSA-N
-rxn:5:197876:225591:228550,CCCc1cc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,QGAWOLHQQLWFHU-UHFFFAOYSA-N
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-rxn:5:197876:225601:228648,Cc1cc(C)c(F)c(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IZHGFYKOOCYFMV-UHFFFAOYSA-N
-rxn:5:197876:225602:225454,CN1CC=C(c2ccc(-c3cc4c(cc3-c3cc(C5(C#N)CCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,RDRCJYMCVGFWPD-UHFFFAOYSA-N
-rxn:5:197876:225602:228562,CCC(C)c1csc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MPGMFCZTTGSVRX-UHFFFAOYSA-N
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-rxn:5:197876:225677:227665,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C(F)(F)F,GXRQXJVHYLHFAJ-UHFFFAOYSA-N
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-rxn:5:197876:225816:227832,Cc1cc(C2CC2)ccc1-c1cc2c(cc1-c1cc(C3CC3)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,FRNZLXGWIABQDL-UHFFFAOYSA-N
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-rxn:5:197876:226582:227835,Cc1ccc(-c2cc3c(cc2-c2ccc(C(=O)N(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C1CC1,JVNDMSBPJKZJCC-UHFFFAOYSA-N
-rxn:5:197876:226587:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cnc(OC4CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,XKAUMAOWAHWHJO-UHFFFAOYSA-N
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-rxn:5:197876:226658:227019,CC(C)(C#N)c1cccc(-c2cc3c(cc2-c2ccc(N4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XOLOSLUNSOPDLG-UHFFFAOYSA-N
-rxn:5:197876:226762:227403,CSc1cc(-c2cc3c(cc2-c2ccc(N4CCCCC4)s2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,JSGYBMHYVIRREE-UHFFFAOYSA-N
-rxn:5:197876:226762:227741,CSc1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)nc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,GHCYZFLFLVAEJD-UHFFFAOYSA-N
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-rxn:5:197876:227029:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccccc2C(C)(C)C#N)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SFSIZYCMMZUEND-UHFFFAOYSA-N
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-rxn:5:197876:227048:227741,Cc1nc(C(F)(F)F)ccc1-c1cc2c(cc1-c1ccc(C(=O)C(C)C)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,KNXFQHASCLKRPH-UHFFFAOYSA-N
-rxn:5:197876:227052:225946,CC(=O)c1cc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,LFFCVGZHGNFSNH-UHFFFAOYSA-N
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-rxn:5:197876:227052:227036,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cc(C4CC4)ccc2C#N)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,JUUXMBJEDUXZPV-UHFFFAOYSA-N
-rxn:5:197876:227068:226212,CON=C1CCc2cc(-c3cc4c(cc3-c3ccc(CC(C)C)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,MWBQKVZISMCDMI-UHFFFAOYSA-N
-rxn:5:197876:227068:226913,CCc1cc(-c2cc3c(cc2-c2ccc(CC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,VIQLKGMUJMPVCX-UHFFFAOYSA-N
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-rxn:5:197876:227079:223113,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)C(=O)N4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BYBJEPWMXJTRCE-UHFFFAOYSA-N
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-rxn:5:197876:227102:225632,CN1CCN(c2cccc(-c3cc4c(cc3-c3cc(C(C)(C)C)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)c2)CC1,NVKZGYWGFPAOEE-UHFFFAOYSA-N
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-rxn:5:197876:227117:226913,CCc1cc(-c2cc3c(cc2-c2cc(C4CC4)cc(C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,IBUMBTMQLXHKPB-UHFFFAOYSA-N
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-rxn:5:197876:227297:227661,Cc1cc(C(F)(F)F)ccc1-c1cc2c(cc1-c1cc(CN(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ALBFOFLAQUNCOS-UHFFFAOYSA-N
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-rxn:5:197876:227319:227530,COC(=O)c1ccc(F)c(-c2cc3c(cc2-c2cc(CC(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AKVZHBFWRDXRIX-UHFFFAOYSA-N
-rxn:5:197876:227403:227978,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(N4CCCCC4)s2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GZPOIFAFKXOVCS-UHFFFAOYSA-N
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-rxn:5:197876:227662:227045,Cc1ccc(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(F)(F)F)c1,LIQBQVUMMRETKV-UHFFFAOYSA-N
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-rxn:5:197876:227673:226444,Cc1nc(C2CCCO2)ccc1-c1cc2c(cc1-c1cccc(C(C)(F)F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,KRQUVGUMCJHBNU-UHFFFAOYSA-N
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-rxn:4:187368:222718,CCN(C(=O)c1ccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)c(Cl)c1)C1CCCCC1,SIWRQNCSODGYFZ-UHFFFAOYSA-N
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-rxn:4:187399:222619,CC1CCN(CCCc2ccccc2-c2ccc(CNC(=O)C3CCCCC3)cc2)CC1,NAMIHOVQCNTVJX-UHFFFAOYSA-N
-rxn:4:187401:224290,CC1CCCCN1CCCc1ccccc1-c1ccc(Cl)cc1OCCN1CCOCC1,AZKFPBOUNIUPJF-UHFFFAOYSA-N
-rxn:4:187411:224807,CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(OC(C)C)c2F)cc1,AHXDJARTZIPUKY-UHFFFAOYSA-N
-rxn:4:187413:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2cccc(C3CCCN3C(=O)OC(C)(C)C)c2)c1,CJKSOBKUYBXCQJ-UHFFFAOYSA-N
-rxn:4:187415:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)c1,FYSKLWGIAWGLKV-UHFFFAOYSA-N
-rxn:4:187421:222935,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(CNS(=O)(=O)N(C)C)cc1,VLXCGFUFUMXSKE-UHFFFAOYSA-N
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-rxn:4:187495:224606,CCCOc1cc(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(Cl)c1OC(C)C,QSGPOSUHGWUVLY-UHFFFAOYSA-N
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-rxn:4:187946:224146,COc1ccc2c(c1-c1c(C)cc(O[Si](C)(C)C(C)(C)C)cc1C)CCN(C(=O)OC(C)(C)C)[C@@H]2C,NLPLJUHGQCNGNN-OAQYLSRUSA-N
-rxn:4:187948:224298,COc1ccc(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,MVRXLIRLPCBSQQ-UHFFFAOYSA-N
-rxn:4:187969:224289,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3F)cccc21,LUCADTBCSFVZSW-UHFFFAOYSA-N
-rxn:4:187969:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)CC1,KZJGKPIVHUCRNY-UHFFFAOYSA-N
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-rxn:4:189766:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(C(=O)N3CCC(F)(F)C3)cc2C(F)(F)F)CC1,ZUVFEOUJCBGBTE-UHFFFAOYSA-N
-rxn:4:189828:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(Cl)c(CCN2CCC(F)(F)C2)c1,IHWIMKWYOPQCPL-UHFFFAOYSA-N
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-rxn:4:189872:224589,CC1CCN(Cc2cc(F)ccc2-c2ccc(C(F)(F)F)cc2C(=O)N2CCSCC2)CC1,IIJRVTHTFGZYAV-UHFFFAOYSA-N
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-rxn:4:190111:224834,CCS(=O)(=O)N1CCCC1c1ccc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)cc1,DSNXMNXDUDNGPK-UHFFFAOYSA-N
-rxn:4:190142:224400,FC(F)(F)c1cc(-c2cccc(CN3CCC(C(F)(F)F)CC3)c2)ccc1N1CCOCC1,AJLTVBBOANGKJR-UHFFFAOYSA-N
-rxn:4:190173:223955,O=[N+]([O-])c1ccccc1CSc1ccc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)cc1,SRMMZIXBZFQWEX-UHFFFAOYSA-N
-rxn:4:190174:222853,O=S(=O)(c1cc(-c2ccc(CN3CCC(O)CC3)cc2)c(F)cc1F)N1CCCC(C(F)(F)F)C1,SWTUXQVUXOYHLY-UHFFFAOYSA-N
-rxn:4:190174:225183,O=S(=O)(c1cc(-c2ccc(OC3CCCCC3)nc2F)c(F)cc1F)N1CCCC(C(F)(F)F)C1,XAUMLBNVKKZVEH-UHFFFAOYSA-N
-rxn:4:190222:223972,COc1ccc(-c2ccc(N3CCCCC3C)cc2C(F)(F)F)c(CN2CCC(F)(F)CC2)c1,IBJGNNPQCIVQIV-UHFFFAOYSA-N
-rxn:4:190227:224501,CN1CCCCC1COc1ccc(-c2cc(S(C)(=O)=O)ccc2CN2CCOCC2)cc1,MRFFRYMMXAENJG-UHFFFAOYSA-N
-rxn:4:190227:224502,CN1CCCCC1COc1cccc(-c2cc(S(C)(=O)=O)ccc2CN2CCOCC2)c1,YQSCKDPMSNGJSI-UHFFFAOYSA-N
-rxn:4:190235:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(F)c3N3CCCC(C(=O)CC)C3=O)c(F)c2)CC1,DBVXSHKKQNWKBA-HPCXZVJPSA-N
-rxn:4:190249:224904,O=C(c1ccc(-c2cccc(C=C3SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)cc1)C1CCCCC1,YZURGCONCBHEFN-UHFFFAOYSA-N
-rxn:4:190260:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3CCCN3C(=O)C(C)C)cc2)cc1,CAWHXOFDZWNLRG-UHFFFAOYSA-N
-rxn:4:190300:222810,COc1ccc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)cc1C=C1SC(=S)N(c2ccc(F)cc2)C1=O,AVTSHVSTBUHANZ-UHFFFAOYSA-N
-rxn:4:190301:222613,CCCNS(=O)(=O)c1ccc(-c2cnc(C(C)(C)O[Si](C)(C)C)cc2C)c(C(F)(F)F)c1,QHULNHWYWDSGPD-UHFFFAOYSA-N
-rxn:4:190342:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2ccccc2C(C)N2CCCC(C(F)(F)F)C2)cc1C,HYHDCVZLGFIJEX-UHFFFAOYSA-N
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-rxn:4:190347:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cc(C)cc(CN2CCCC(C(F)(F)F)C2)c1,WPQGWTZLUJMXJI-UHFFFAOYSA-N
-rxn:4:190379:224257,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(C(=O)N2CCCCC2C)ccc1Cl,QDKLIEGGXOUCHG-UHFFFAOYSA-N
-rxn:4:190410:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3CCN(C(=O)C(C)C)CC3)cc2)c1,UTASJDISSHNTGO-UHFFFAOYSA-N
-rxn:4:190433:224614,Cc1cc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc(S(=O)(=O)N2CCCC(C(C)(F)F)C2)c1,FXRWXRDUPOTPQU-UHFFFAOYSA-N
-rxn:4:190494:224076,CCC1CCCCN1C(=O)c1cc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)c(C)c(C)c1C,LCWIGVBZIGLGAT-UHFFFAOYSA-N
-rxn:4:190603:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc2oc(=O)n(CC(F)(F)F)c2cc1OC,KOQYWMXEFBCEEL-UHFFFAOYSA-N
-rxn:4:190722:223539,COc1ccc(-c2c(OC(=O)N(C)C)ccc3ccccc23)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,UPHAWGMTGYNSIL-UHFFFAOYSA-N
-rxn:4:190822:224421,CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3=O)c(C(C)C)c1,SDRCBORGRCDJAJ-UHFFFAOYSA-N
-rxn:4:190828:222604,COc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)C3)cc1S(=O)(=O)NC1CCCC1,YKJGNOARQPMEFD-UHFFFAOYSA-N
-rxn:4:190828:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)C(=O)C2,BHFWIGUBVSPOKA-UHFFFAOYSA-N
-rxn:4:190829:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)CC(=O)N2C(=O)OC(C)(C)C)C(C)C,NXEFPEDPKCNHHM-UHFFFAOYSA-N
-rxn:4:190834:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(F)c3c(c2)CN(C(=O)OC(C)(C)C)C3=O)c1,FSEOIHMBRRIVGZ-UHFFFAOYSA-N
-rxn:4:190857:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1,RTUFILKTEHTUPM-UHFFFAOYSA-N
-rxn:4:190897:224321,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)o1,NMRACHSWLADBBV-UHFFFAOYSA-N
-rxn:4:190905:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4c(c3F)N(C(=O)OC(C)(C)C)CCO4)s2)CC1,DHJWNIHNMDTPIM-UHFFFAOYSA-N
-rxn:4:190905:223978,CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2F)N(C(=O)OC(C)(C)C)CCO3)cc1C(F)(F)F,OXMXRDCQADEHHM-UHFFFAOYSA-N
-rxn:4:190926:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3=O)c1,KPJFFHDSFZVRAP-KRWDZBQOSA-N
-rxn:4:190953:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1,GMSAXEGLVBNDAT-UHFFFAOYSA-N
-rxn:4:190959:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cc3c(s2)CCCN(C(=O)OC(C)(C)C)C3)cc1,POMJADGHVAKRLR-KRWDZBQOSA-N
-rxn:4:190963:224970,CC(C)(C)OC(=O)N1CCc2c(cc(F)cc2-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)C1,WLDLZUIRLDHUCS-UHFFFAOYSA-N
-rxn:4:190972:224128,CN(C(=O)c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)cc1)C1CCCCC1,CBNDIBBMWHSRJR-UHFFFAOYSA-N
-rxn:4:190976:225521,CCCCOc1cc(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)ccc1OC,DXRVDGRVVFPKBI-UHFFFAOYSA-N
-rxn:4:191026:223891,COC(=O)C1=CN(c2ccc(C)c(Cl)c2)c2cc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)ccc2S1(=O)=O,NYNFEQRBTIAWBA-UHFFFAOYSA-N
-rxn:4:191031:223880,Cc1ccc2c(c1)cc(-c1ccc3c(c1)CCN(C(=O)OC(C)(C)C)CC3)n2C(=O)OC(C)(C)C,NTLAEBPKTUOBKE-UHFFFAOYSA-N
-rxn:4:191033:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCC3)c1,LRECMXWKSGFARV-UHFFFAOYSA-N
-rxn:4:191044:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c3ccccc23)c1,GKJZCJSOLGNJSM-UHFFFAOYSA-N
-rxn:4:191062:225452,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(OC2C=CCCC2)cc1,SWOYQQKHSZKJGC-UHFFFAOYSA-N
-rxn:4:191062:226180,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(C2CCCC2)n1,XIELTGQPRDPSKJ-UHFFFAOYSA-N
-rxn:4:191089:222758,Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)ccc1NC(=O)OC(C)(C)C,PISUWIFJPMQHJK-UHFFFAOYSA-N
-rxn:4:191089:224252,CC1CCCN(C(=O)c2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4(C)C)cc2F)C1,GQDRCNQLLPGJHT-UHFFFAOYSA-N
-rxn:4:191092:222974,CC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)cc1,HICKDZLPAQDMDB-UHFFFAOYSA-N
-rxn:4:191097:225568,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,ZAHJJUQLFJMVPE-UHFFFAOYSA-N
-rxn:4:191098:224998,CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cc(-c4cccc(C(=O)N5CCCCC5)c4)ccc3O2)C1,SHYMSVHARMABLV-UHFFFAOYSA-N
-rxn:4:191105:222594,Cc1ccc(NS(=O)(=O)c2cccc(-c3cccc4c3C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,GRLPIMYDFGJBFY-UHFFFAOYSA-N
-rxn:4:191115:225328,CCCSc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)COC1(CCN(C(=O)OC(C)(C)C)CC1)O2,MQQKOBFMDGRSKZ-UHFFFAOYSA-N
-rxn:4:191116:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2c(c1)C(=O)CC21CCN(C(=O)OC(C)(C)C)CC1,HMDDDJOMTWVCBR-UHFFFAOYSA-N
-rxn:4:191121:224853,CC1(C)CCC(c2ccc(-c3ccc4c(c3F)C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)C4)cc2)CC1,GUYDDFICZBAKOD-UHFFFAOYSA-N
-rxn:4:191124:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1,PYVJGKGHMGIRDO-UHFFFAOYSA-N
-rxn:4:191124:227587,COc1cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc(F)c1OC,UWEJGYCIKDWAFI-UHFFFAOYSA-N
-rxn:4:191127:225059,CC1CCN(c2ccc(-c3ccc4c(c3)OC3(CCN(C(=O)OC(C)(C)C)CC3)CC4=O)c(Cl)c2)CC1,ITPGTRPGCLFJHY-UHFFFAOYSA-N
-rxn:4:191137:225565,COc1ccc(N2C(=O)C3C(c4ccccc4-c4cccc(OCC5CCCO5)c4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,STQXTYBNVRGCRD-UHFFFAOYSA-N
-rxn:4:191145:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)c3c(n4CC(F)(F)C(F)(F)F)CCCC3)cc2)CC1,QDNQWDGMYRGNMH-MEMLXQNLSA-N
-rxn:4:191171:225947,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4cnc(N5CCN(C)CC5)nc4)cc1c32,MRUWVYAEMIRBJE-UHFFFAOYSA-N
-rxn:4:191172:225825,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5ccc(N6CCN(C)CC6)nc5)cc4)cc1c32,MRNMXOKTYHPMHO-UHFFFAOYSA-N
-rxn:4:191195:228781,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(C(F)F)cc1)c1c2CCC1,YWBGNURKKVCKSF-UHFFFAOYSA-N
-rxn:4:191195:229004,CSc1ccccc1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,KRPIBJYVHYRDAY-UHFFFAOYSA-N
-rxn:4:191203:223696,CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1,LYDUXPOSMFCOJH-UHFFFAOYSA-N
-rxn:4:191281:223497,CC(c1ccc(-c2nccc(OC(F)F)c2Cl)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,NSXMYIRBUIJZQQ-UHFFFAOYSA-N
-rxn:4:191287:223497,CC(c1ccc(-c2ccc(SC(F)(F)F)cn2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,YPMILFKGDQHPEL-UHFFFAOYSA-N
-rxn:4:191633:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2c(F)c(CF)c(F)c([N+](=O)[O-])c2F)CC1,HAGBQNBGLINARG-UHFFFAOYSA-N
-rxn:4:191797:223533,COc1cc(F)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c1[N+](=O)[O-],BQUSGCZIXUWGQP-UHFFFAOYSA-N
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-rxn:4:207674:224409,CC1(C)C2CN(c3ccc(C#N)cc3-c3cc(OCC(F)(F)F)cc(C(F)(F)F)c3)CC21,ONNQLFKATSOEHO-UHFFFAOYSA-N
-rxn:4:207701:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)CN(c3cccc(C#N)c3)C(=O)CO4)ccc2OC(F)(F)F)CC1,NBVCODZESAHOCA-UHFFFAOYSA-N
-rxn:4:207827:222720,O=C1N(c2ccc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)cc2)C2CS(=O)(=O)CC2N1c1cccc(Cl)c1,BZZPIOXQYLHXIS-UHFFFAOYSA-N
-rxn:4:207856:224571,CC(C)N1CCN(c2ccc(-c3ccc4c(c3)CCCC4N3CCN(C(C)C)CC3)cc2)CC1,RIMJHKLOSNAHEC-UHFFFAOYSA-N
-rxn:4:207959:223641,CCc1cc2c(cc1F)cc(-c1ccc3c(c1)C1CC(c4ccc(C)cc4)=NN1C(C1CCCCC1)O3)n2C(=O)OC(C)(C)C,QTLFYSNYPFAEJP-UHFFFAOYSA-N
-rxn:4:209788:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnccc1N1CCCC(F)(F)C1,MFFNNBKECMSSCC-UHFFFAOYSA-N
-rxn:4:209896:224758,O=C(c1ccc(-c2cnn(C3CCOC4(CCOCC4)C3)c2)cc1Cl)N1CCOCC1,AMLGYRKVBTZDRN-UHFFFAOYSA-N
-rxn:4:210864:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(N5CCOCC5)sc4c3)c2Cl)CC1,VKEWWQHHCPSHSV-UHFFFAOYSA-N
-rxn:4:211042:224884,CC1CCN(Cc2cccc(-c3cccc4c3CN(C3CCC(=O)N(C)C3=O)C4=O)c2)CC1,BGHXVVDLTZIADS-UHFFFAOYSA-N
-rxn:4:212512:224195,CCCN(CCC)c1c(-c2ccc(Cl)c(CN3CCN(CC)CC3)c2)cncc1[N+](=O)[O-],NGDXEBKOPSZMQQ-UHFFFAOYSA-N
-rxn:4:212532:222614,O=C(c1cccc(OC(F)(F)F)c1)N1CC(Cn2cc(-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)cn2)C1,ZKOBZWMUWLGGNK-UHFFFAOYSA-N
-rxn:4:212558:222740,CC(C)c1cc(-c2ccc(CSC3=NCCN3C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(C2CCCNC2)n1,MGUXDXQMJVSTAZ-UHFFFAOYSA-N
-rxn:4:212567:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnc(OC3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)C3)nc2)c1,NWLATAIJZCWIQR-UHFFFAOYSA-N
-rxn:4:212592:224738,CN(C)C(=O)C1(CCCc2cccc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)n2)CCN1C,GYIMQXBELJLIGK-UHFFFAOYSA-N
-rxn:4:212593:225426,CCN(CC)C(C)c1ccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)cc1,JVBRVZRYPABZJD-UHFFFAOYSA-N
-rxn:4:212594:223024,CCCNC(=O)c1cc(-c2cnc(OC3CCN(C(=O)CSC4CCCC4)C3)nc2)ccc1F,KPMKODTYIBZECP-UHFFFAOYSA-N
-rxn:4:212622:224734,O=C(Cc1ccc(F)cc1)N1CCCC(COc2ncc(-c3ccc(C(F)(F)F)cc3OCC3CC3)cn2)C1,FBBVWCCSCRPRJH-UHFFFAOYSA-N
-rxn:4:212636:226085,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3ccc4c(c3)CCC(C)(C)O4)cn2)CC1,MCTSJSZVFXAPCB-UHFFFAOYSA-N
-rxn:4:212642:225053,CC1CCCCN1c1ccc(-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)o2)c(F)c1,OZNBCJIBLORSHZ-UHFFFAOYSA-N
-rxn:4:212649:225877,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,GZUBAOTWURLJDT-UHFFFAOYSA-N
-rxn:4:212656:224710,CCCCOc1cc(-c2cc(C(=O)OC)cnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,WQNXCQATEFBDMP-UHFFFAOYSA-N
-rxn:4:212658:224606,CCCOc1cc(-c2cnc(C(=O)OC)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(Cl)c1OC(C)C,NQVXFWQYCKHVIL-UHFFFAOYSA-N
-rxn:4:212665:224195,CCN1CCN(Cc2cc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccccc5OC)C4)nc3)ccc2Cl)CC1,QGXKIISKKQLOBZ-UHFFFAOYSA-N
-rxn:4:212667:226025,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(OC5CCOC5)nc4Cl)cn3)C2)cc1,DTNTXQDYVNRYLX-UHFFFAOYSA-N
-rxn:4:212669:225305,COc1cnc(OC2CCN(C(=O)c3cc(OC)ccc3-c3cnc(C4CCC4)c(C(F)(F)F)c3)CC2)nc1,FOOJSPUWPMKNAS-UHFFFAOYSA-N
-rxn:4:212723:223998,CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)N6CCC(C)CC6)c(F)c5)cc4)CC3)n2)cc1,YPOLXUQRSHXRFS-UHFFFAOYSA-N
-rxn:4:212729:225367,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cnc(N6CCC(F)(F)CC6)nc5)cc4)C3)n2)cc1OC,QZEOPIHKZHHYLN-UHFFFAOYSA-N
-rxn:4:212737:222569,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)c2)CC1,WHOZDLDKVZIVDY-UHFFFAOYSA-N
-rxn:4:212739:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCCC2)CC1,SNGIMVHCJAHNSZ-UHFFFAOYSA-N
-rxn:4:212741:228294,CCCOc1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCCC3)c2)cn1,QKOYAHLLXLYLKQ-UHFFFAOYSA-N
-rxn:4:212744:227263,CCOCc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,NBPSGWAUHWXONB-UHFFFAOYSA-N
-rxn:4:212751:224762,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)c2)CCN1C(=O)OC(C)(C)C,ZAILCZWMBRQIPA-UHFFFAOYSA-N
-rxn:4:212797:225889,Cn1c(=NC(=O)CSCC(=O)N2CCc3ccccc32)sc2cc(-c3ccnn3COCC[Si](C)(C)C)ccc21,VYGLGIIOIVXDNA-UHFFFAOYSA-N
-rxn:4:212799:224393,CN(C)CCN(C(=O)C1CCCCC1)c1nc2ccc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cc2s1,XUXNGXVJCGLTFE-UHFFFAOYSA-N
-rxn:4:212814:223181,CCNS(=O)(=O)c1cccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)c1,NCMPCKVZIXKIIF-UHFFFAOYSA-N
-rxn:4:212814:227926,CC(C)Sc1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,LVYVIGXMSWGSSO-UHFFFAOYSA-N
-rxn:4:212814:229102,Cn1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1=O,KLWKURCILOSVBS-UHFFFAOYSA-N
-rxn:4:212828:222605,COc1ccc(-c2cc(S(=O)(=O)NC3CCCC3)ccc2OC)c(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)c1,YIWRMPSBJHPQHX-UHFFFAOYSA-N
-rxn:4:212908:224992,CCOC(=O)N1CCCC(Oc2ncc(-c3ccccc3CN3CCC(=O)CC3)cn2)C1,PZGQRGOCNCSFSL-UHFFFAOYSA-N
-rxn:4:212918:222944,CC(C)(C)OC(=O)N1CC(Cn2cc(-c3ccc(S(=O)(=O)NC4CC4)cc3F)cn2)C1,ZUEIXVZAWILILS-UHFFFAOYSA-N
-rxn:4:212964:224612,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc(OCCN4CCOCC4)cc3)cn2)C1,RGWDOUKIBSONPV-UHFFFAOYSA-N
-rxn:4:212988:225877,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3N3CCOCC3)n2)CC1,PZGOFWQAFNUNFX-UHFFFAOYSA-N
-rxn:4:212989:227210,CCCCOc1ccc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cn1,VBYPCDSESGQEOQ-UHFFFAOYSA-N
-rxn:4:212989:227465,COCCOc1cncc(-c2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)c1,KYWRGTRKSFZXLL-UHFFFAOYSA-N
-rxn:4:212989:227467,COCCOc1cnccc1-c1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1,NYGLCHSQFGXHKN-UHFFFAOYSA-N
-rxn:4:213002:224037,CC(C)(C)c1ccc(-c2ccccc2-c2cnccc2OC2CCN(C(=O)CN3C(=O)CCC3=O)C2)cc1,NMFAEIVJZZFXCC-UHFFFAOYSA-N
-rxn:4:213011:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2cnc(OCC3CCCN(C(=O)C(C)C)C3)nc2)c1F,OXBFLSRKEXMYMP-UHFFFAOYSA-N
-rxn:4:213011:224718,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,JORQOUJTQRSWLY-UHFFFAOYSA-N
-rxn:4:213016:224172,CN(Cc1cccc(-c2ccc(C(=O)N3CCC(CSc4nccn4C)CC3)o2)c1)C(=O)OC(C)(C)C,LCXLEDHJEWAQSX-UHFFFAOYSA-N
-rxn:4:213038:222503,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cc(F)cc(C(=O)NCc4ccc(F)cc4)c3)c[nH]2)CC1,GPWZKKGQCQPLAZ-UHFFFAOYSA-N
-rxn:4:213039:222675,COc1cc(-c2cncc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1NC(=O)OC(C)(C)C,RGWMGPRZHDIBJE-UHFFFAOYSA-N
-rxn:4:213064:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(C(=O)N4CCC(Oc5ccc(C(F)(F)F)cn5)CC4)c3)cn2)CC1,GIZFADLXGVVBLJ-UHFFFAOYSA-N
-rxn:4:213069:224329,O=C1CCN(C(=O)c2ccc(-c3ccccc3C(=O)N3CC(c4nc(-c5cccc(C(F)(F)F)c5)no4)C3)cc2F)CC1,TUJMARFKPYQJKY-UHFFFAOYSA-N
-rxn:4:213074:226562,CCOc1c(F)cc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)cc1OC,SSBVYMPFLQYNAF-UHFFFAOYSA-N
-rxn:4:213076:224336,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3ccc(N4CCCCC4)cc3C(F)(F)F)cn2)cc1,HIKOEDNYGYQGHV-UHFFFAOYSA-N
-rxn:4:213077:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)F)c1,HTHXMXNNOQHXRG-UHFFFAOYSA-N
-rxn:4:213079:224785,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)c4ncccc34)nc2)CC1,YZWOYMZUMLZBEB-UHFFFAOYSA-N
-rxn:4:213093:222560,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)NCc4ccccc4)cc3F)c(C#N)c2)CC1,GVIKBFCWYUABOM-UHFFFAOYSA-N
-rxn:4:213097:223062,CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(-c3cnc(C4CCNCC4)cc3F)cn2)CC1,ANYQSLQXYBFWNH-UHFFFAOYSA-N
-rxn:4:213112:222826,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cccc(S(=O)(=O)N4CCNCC4)c3)C2)nn1,UHXGMKCFHUDLGB-UHFFFAOYSA-N
-rxn:4:213134:222541,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)CC1,BSDVPXDOAOCJLM-UHFFFAOYSA-N
-rxn:4:213140:224092,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C#N)ccc3OCc3ccccc3)cc([N+](=O)[O-])c2)CC1,OCEGRQGLPKYBIT-UHFFFAOYSA-N
-rxn:4:213175:223892,Cc1cc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCN(C)CC5)cc4)c3)CC2)ccn1,IVOWVIYNRZWXHU-UHFFFAOYSA-N
-rxn:4:213178:225172,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)c(C)o1,FKABIFKSFYXTMT-UHFFFAOYSA-N
-rxn:4:213192:225975,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(N4CCOCC4)c3Cl)n2)CC1,NVWQSMIZZGJJJT-UHFFFAOYSA-N
-rxn:4:213214:227335,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(Cl)cc3OC(C)C)n2)CC1,RSXDRGCZHFDYKI-UHFFFAOYSA-N
-rxn:4:213220:228175,CCOc1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c([N+](=O)[O-])c2)c1Cl,DHYQWKKQRXDFHR-UHFFFAOYSA-N
-rxn:4:213242:224494,O=[N+]([O-])c1cccc(C2CC(c3ccc(-c4ccc(CCOC5CCCCO5)cc4)cc3)=NN2S(=O)(=O)c2ccccc2)c1,ZYRULESFPMIRLZ-UHFFFAOYSA-N
-rxn:4:213247:225595,O=C(N1CC(Cn2cc(-c3ccc(F)c(CN4CCCC4)c3)cn2)C1)C1(c2ccccc2)CCOCC1,CLSBGWYQIMUQRF-UHFFFAOYSA-N
-rxn:4:213248:224158,COc1ccc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)c(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1,GBEMWKSWUCTGMM-UHFFFAOYSA-N
-rxn:4:213249:223648,CN(C)c1cccc(C(=O)N2CCC(Oc3ncccc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)c1,ANJRJYFEKLGYPB-UHFFFAOYSA-N
-rxn:4:213264:225566,CC1(COc2ccc(-c3ccc(CC(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)cc2)COC1,DFKCELAYFBPLBB-UHFFFAOYSA-N
-rxn:4:213281:223869,CCOc1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1OCc1ccccc1,CTMOPQQLQZXFFM-UHFFFAOYSA-N
-rxn:4:213281:227154,Cc1c2ccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cc2nn1C,KFXCBGVIIAVQNX-UHFFFAOYSA-N
-rxn:4:213289:222631,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)CC1,HMUPFNUFDAHKBA-UHFFFAOYSA-N
-rxn:4:213373:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccnc1OC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1,HKARQEGNIACSNB-UHFFFAOYSA-N
-rxn:4:213388:224064,CC1CCCCN1c1cc(-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)cc(C2CC2)c1,IFBUBPGEAJZFSO-UHFFFAOYSA-N
-rxn:4:213395:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2ccn(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2c1,BRLKZNPGZQYAIW-UHFFFAOYSA-N
-rxn:4:213480:225161,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(C(=O)N5CCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,DFMOCLKHYQJVPF-SIGULORKSA-N
-rxn:4:213480:225465,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(C5CCN(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OBVNRWISZJAQCF-RDPIHECBSA-N
-rxn:4:213480:225827,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccnc(N5CCN(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FVJCBANJORBTLZ-JUAZSWLZSA-N
-rxn:4:213480:226662,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCN(C)CC5)s4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,UVQVAAKTEALEMY-QUOLTWHMSA-N
-rxn:4:213499:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(OCCN=[N+]=[N-])cc2F)C1,ZASKWJKPTBEGRW-UHFFFAOYSA-N
-rxn:4:213638:223881,Cc1ccc2cc(-c3cnn(CC4CN(C(=O)C5CC(F)(F)C5)C4)c3)n(C(=O)OC(C)(C)C)c2c1,RMRDZOYTUXGFHA-UHFFFAOYSA-N
-rxn:4:213655:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnn(CC3CN(CC4CCC4)C3)c2)c1,XXYINJMRAJHOEB-UHFFFAOYSA-N
-rxn:4:213674:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnn(CC4CN(Cc5cc(F)cc(F)c5)C4)c3)cn2)CC1,ILZLPXBCINQKLD-UHFFFAOYSA-N
-rxn:4:213723:224255,CCN1CCN(C(=O)Cc2cncc(-c3cc(F)cc(C(=O)N4CCCC(C)C4)c3)c2)CC1,NTONRJYZAUJHGT-UHFFFAOYSA-N
-rxn:4:213756:225201,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OC4CCCC4)c(F)c3F)s2)CC1,MYAKNXWKENTYIE-UHFFFAOYSA-N
-rxn:4:213758:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnc(CCC3CCCCN3S(C)(=O)=O)cn2)cc1,DHNWBTKUHYCLMW-UHFFFAOYSA-N
-rxn:4:213828:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2ccc(S(=O)(=O)N3CCC(c4nnc(C(F)(F)F)o4)CC3)cc2)c1Cl,DUVSBARQNNLPRS-UHFFFAOYSA-N
-rxn:4:213830:224582,CC(C)CN1CCC(Cn2cc(-c3cccc(N4CCN(C5CC5)CC4)c3)cn2)CC1,LATCJDMTZRZHSV-UHFFFAOYSA-N
-rxn:4:213894:225157,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C(=O)N4CCSCC4)c3)cn2)CC1,LDIUZFOUIINEAZ-UHFFFAOYSA-N
-rxn:4:213933:224957,CC(C)(C)[Si](C)(C)Oc1ccccc1-c1cc(C(F)(F)F)cnc1N1CCCN(S(=O)(=O)C2CC2)CC1,QIKFLAOKPXJEHO-UHFFFAOYSA-N
-rxn:4:213944:223117,CCCNC(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)[nH]2)cc1,ABSTYZKXFYHYMC-UHFFFAOYSA-N
-rxn:4:213972:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,PXZAKSFSKQGPRE-UHFFFAOYSA-N
-rxn:4:213973:226236,CCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCSCC2)C1,AVSKBOANSZAMQJ-UHFFFAOYSA-N
-rxn:4:213977:223769,CC1CN(C(=O)OC(C)(C)C)CCN1c1cccc(-c2cc3cccc(C#N)c3n2C(=O)OC(C)(C)C)n1,JQJJPTNUSBPULO-UHFFFAOYSA-N
-rxn:4:213988:224767,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3cccc(C(=O)N4CCOCC4)c3F)cn2)CC1,KJCMVWMBEXXXGD-UHFFFAOYSA-N
-rxn:4:214012:222957,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C2CCCNC2)c1,HVSJAWVLXBWLIE-UHFFFAOYSA-N
-rxn:4:214012:225828,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCCCCC3)nc2)CC1,GFSCNBMCBDZYLQ-UHFFFAOYSA-N
-rxn:4:214020:224733,Cc1cc(OC2CCN(C(=O)c3ccccc3-c3ccc(OC(F)F)c(OC4CCC4)c3)CC2)nc(C)n1,KPQDYCZORKRLLD-UHFFFAOYSA-N
-rxn:4:214029:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(C(F)(F)F)c1,SPXOOOOJMTYURF-UHFFFAOYSA-N
-rxn:4:214033:226652,Cc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)n(C2CCCCO2)n1,BVGBQHXVDOBUBB-GNLJQLLCSA-N
-rxn:4:214033:228071,CC(C)[C@H]1COC(c2cc(-c3cccc4c3OCCO4)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,BVLLJZPREUPUHG-NHCUHLMSSA-N
-rxn:4:214042:224961,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)o2)cc1,JZCWAUQWGLIOFW-UHFFFAOYSA-N
-rxn:4:214048:226825,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1cc(Cl)c(C(F)(F)F)cc1C,SRZBTDXZNHIOQV-UHFFFAOYSA-N
-rxn:4:214050:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc(N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c(F)c2)cc1,HWCYNLSAEPCIKO-MSOLQXFVSA-N
-rxn:4:214056:222632,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4cccc(C(=O)NCCN5CCCC5)c4)o3)S2)CC1,WTAGXPHZDXDHFY-UHFFFAOYSA-N
-rxn:4:214056:224381,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccc(-n5cnc(C)c5)c(C(F)(F)F)c4)o3)S2)CC1,WSNDSTQFJUSLBL-UHFFFAOYSA-N
-rxn:4:214060:223558,CC(C)(C)OC(=O)N1CC2(CCN(c3cncc(-c4ccc5c(c4)CCN(C(=O)OCc4ccccc4)C5)c3)CC2)C1,QEPGTPRSHZJGQE-UHFFFAOYSA-N
-rxn:4:214060:225804,CC(C)(C)OC(=O)N1CC2(CCN(c3cncc(-c4ccc(C(=O)N5CCC5)c(F)c4)c3)CC2)C1,OPMRNALXXVMYDR-UHFFFAOYSA-N
-rxn:4:214086:224045,CC(C)N1CCN(Cc2ccc(-c3ccccc3CN(C)Cc3ccccc3)cc2N2CCCCC2)CC1,DZAFRPVFCWCUQN-UHFFFAOYSA-N
-rxn:4:214181:222540,CCCC(=O)N1CCN(c2nc3ccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)cc3s2)CC1,CQIUQKGAOSBSBU-UHFFFAOYSA-N
-rxn:4:214220:224723,CCN(CC)S(=O)(=O)c1ccc(-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)c(C)c1,YRKUAHACCMDUNQ-UHFFFAOYSA-N
-rxn:4:214221:225898,CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2ccc(-c3cnn(CCN4CCOCC4)c3)cc2[nH]1,FDALWCYZDBLAQL-QFIPXVFZSA-N
-rxn:4:214254:223712,COc1ccc(-c2cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)cc1C12CC3CC(CC(C3)C1)C2,HZHTYLPMKOUHKS-UHFFFAOYSA-N
-rxn:4:214259:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)c3)s2)CC1,VWEVLCUEDHYPLL-UHFFFAOYSA-N
-rxn:4:214291:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3nc([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)[nH]c3c2)c1,QDGHJGGKQCMMFK-ROKPMTFOSA-N
-rxn:4:214320:223095,CC(=O)Nc1cccc(-c2ccc3ncn(C4CCCN(C(=O)OC(C)(C)C)CC4)c3c2)c1[N+](=O)[O-],DVSITJHWMMYRAM-UHFFFAOYSA-N
-rxn:4:214323:224015,Cc1cc(F)c(-c2ccc3ccn(CC(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3c2)cc1S(=O)(=O)N1CCOCC1,QUKNDZARVFLFBV-UHFFFAOYSA-N
-rxn:4:214339:225521,CCCCOc1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCC(=O)N(Cc3ccc(OC)cc3)C2=O)ccc1OC,BPEHAHZJSUUWQP-UHFFFAOYSA-N
-rxn:4:214360:222596,CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N=c3sc4cc(-c5cccc(C(=O)Nc6ccc(F)c(Cl)c6)c5)ccc4n3C)cc2)C1,IYRVULPYXLVDTI-UHFFFAOYSA-N
-rxn:4:214361:224607,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4ccc(C(=O)OCC[Si](C)(C)C)cc4)ccc32)CC1,CLRVYEIXWJLBFC-JRQCZATISA-N
-rxn:4:214367:223575,COc1cc2c3cnn(Cc4cccc(-c5ccccc5CN5CCN(C(=O)OC(C)(C)C)CC5)c4)c(=O)c3n(C)c2cc1OC,QJEAFSKJJOASRE-UHFFFAOYSA-N
-rxn:4:214609:224247,CC1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(C#N)CC4)c3)c(F)c2)CC1,SKPZZFLWVGIHPS-UHFFFAOYSA-N
-rxn:4:214628:223926,O=C(c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)o1)N1CCN(c2nccs2)C(=O)C1,FIDGPERNKYIQKB-UHFFFAOYSA-N
-rxn:4:214701:224375,CN1CCN(Cc2ccc([N+](=O)[O-])cc2-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)CC1,MMMRIZCSYXESIY-UHFFFAOYSA-N
-rxn:4:214710:222742,CCN1CCN(S(=O)(=O)c2cncc(-c3cc(C4CCNCC4)nc(C4CC4)c3)c2)CC1,ZVQVAXZXJGMIBT-UHFFFAOYSA-N
-rxn:4:214773:225112,CCOc1cc(-c2cncc(S(=O)(=O)N3CCN(C(C)C)CC3)c2)cc(Cl)c1OC(C)C,HYYKUTWSYQXGAL-UHFFFAOYSA-N
-rxn:4:214774:224325,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2)CC1,MXHJTEWMAQTGSU-UHFFFAOYSA-N
-rxn:4:214816:223589,Cc1nc(CN2CCN(c3cccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4C)c3)CC2)cs1,ABAUKTNHZBINGV-UHFFFAOYSA-N
-rxn:4:214818:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCN(C(=O)C5CCCO5)CC4)c(Cl)c3)c2Cl)CC1,IEIBGHNEVVBJKW-UHFFFAOYSA-N
-rxn:4:214820:222900,CC(C)(C)OC(=O)NCc1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)cs1,DUICDLZZHYLEIA-UHFFFAOYSA-N
-rxn:4:214830:225093,CCCOc1c(Cl)cc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1OCC,NUJOFNIMWZHSGM-UHFFFAOYSA-N
-rxn:4:214836:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)CC1,MFFNOLISMBYTND-RZWCHVLBSA-N
-rxn:4:214837:227275,CCCOc1c(F)cccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,VSJRVANNSASFQD-UHFFFAOYSA-N
-rxn:4:214838:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,GRCYCQKMHRNYKF-UHFFFAOYSA-N
-rxn:4:214839:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(F)c1,IDELUBKYDUANHB-UHFFFAOYSA-N
-rxn:4:214850:224774,CC(C)N1CCCC(Cc2cnc(-c3ccc(N4CCCC4)c(C(F)(F)F)c3)cn2)CC1,LAWMLMRBKJRAHR-UHFFFAOYSA-N
-rxn:4:214868:226272,CCN(C)C(=O)c1cccc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,ZGBOLKIWDBTYKJ-UHFFFAOYSA-N
-rxn:4:214871:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)CC1,QDDAAIQDACESLO-UHFFFAOYSA-N
-rxn:4:214897:224288,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(N3C(=O)CC(N4CCN(c5ccccc5)CC4)C3=O)cc2)c(Cl)c1,HEFIGWVEOWPLNE-UHFFFAOYSA-N
-rxn:4:215054:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ncn2c1CCN(C(=O)OC(C)(C)C)C2=O,UBAFQAHHIYRGAB-UHFFFAOYSA-N
-rxn:4:215056:224668,CCN1CCN(c2cc(F)cc(-c3ccc(CSC4=NN5CCCC(=O)N=C5S4)cc3)c2)CC1,ZXBOZTSERJZIKC-UHFFFAOYSA-N
-rxn:4:215059:224734,CC(C)(C)OC(=O)N1CCn2ncc(-c3ccc(C(F)(F)F)cc3OCC3CC3)c2C1,QHMNUGLXHBSBOU-UHFFFAOYSA-N
-rxn:4:215085:224400,Cc1nn(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,JZBSUHWRAXMQGR-UHFFFAOYSA-N
-rxn:4:215096:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)C3C)cc1,RAOCLZQILIALOD-UHFFFAOYSA-N
-rxn:4:215098:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3nn(C)c4c3CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,NNGBNWNZMKSQFM-HZCBDIJESA-N
-rxn:4:215106:223561,Cc1nn2c(c1-c1ccc(N(C(=O)OC(C)(C)C)c3ccccc3)cc1)CN(C(=O)OC(C)(C)C)CC2,AFMYRRLNUVEBLF-UHFFFAOYSA-N
-rxn:4:215188:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)C3CS(=O)(=O)CC32)cc1,CNWYTAHHYIHDBM-UHFFFAOYSA-N
-rxn:4:215195:224767,O=C(c1cc2n(n1)CC(c1ccc(-c3cccc(C(=O)N4CCOCC4)c3F)cc1)OC2)N1CCOCC1,ABWDTRONULHXID-UHFFFAOYSA-N
-rxn:4:215214:224405,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)n3C2)C1,RBXGCKMNYGNOJR-UHFFFAOYSA-N
-rxn:4:215285:225714,CCOCCOc1ccc(-c2ccc(C3C4C(=O)N(c5ccc(OC)cc5)C(=O)C4N4CCCN34)cc2)cc1Cl,JNRZDGKMLFDCCG-UHFFFAOYSA-N
-rxn:4:215828:223568,CC1CN(c2ncc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2[N+](=O)[O-])CCO1,VMKZBEOHLXADCZ-UHFFFAOYSA-N
-rxn:4:215882:222524,CC(C)(c1ncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cn1)N1CCCC1,MTTGCRRHCQJDOV-UHFFFAOYSA-N
-rxn:4:216162:223811,CC(C)(C)c1nn2c(Cl)cc(C(F)(F)F)nc2c1-c1ccc(CN2CCC3(CC2)OCCO3)c(Cl)c1,QZNIDZJBXAJGOA-UHFFFAOYSA-N
-rxn:4:216178:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)c4c(C#N)nn(C5CCCCO5)c4c3)cc2F)CC1,PEYVANBHINVWJO-UHFFFAOYSA-N
-rxn:4:216231:224653,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1ccc(Cl)cc1OCC1CCCCO1,DKMNTNDBWYHACS-UHFFFAOYSA-N
-rxn:4:217072:223529,Cc1nn(C(C)(C)C)nc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,VTTXBHTTZIVCAC-UHFFFAOYSA-N
-rxn:4:217199:223784,CCN1CCN(CCOc2ccc(-c3cnc(N4CCN(C)CC4)c(F)c3)cc2F)CC1,NUSFPGYSZFTFCV-UHFFFAOYSA-N
-rxn:4:217199:223785,CCN1CCN(CCOc2ccc(-c3cnc(N4CCN(C)CC4)c(F)c3)cc2Cl)CC1,PTFVNFFDFFCKLE-UHFFFAOYSA-N
-rxn:4:217886:222538,c1nc(N2CC3CCCCC3C2)ncc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,XDORQUOPWRSUOB-UHFFFAOYSA-N
-rxn:4:217905:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,CADDKQSNNVFGIC-UHFFFAOYSA-N
-rxn:4:218585:225007,N#Cc1ccc(CN2CCC(COc3ncc(-c4cccc(CN5CCCCC5)c4F)cn3)CC2)c(F)c1,SYXMUPSDRIEQKU-UHFFFAOYSA-N
-rxn:4:218619:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccccc3CCC(=O)N3CCC(n4cc(C5CC5)nn4)C3)cc2C)CC1,NXSCYYSDUZAEPD-UHFFFAOYSA-N
-rxn:4:218667:224400,O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(Oc2ncccc2-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)CC1,XKNURBDEWIKQDL-UHFFFAOYSA-N
-rxn:4:218687:223817,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cnn(CCN5C(=O)c6ccccc6C5=O)c4)c3)CC2)nn1,YNTOKOOVXNDOPG-UHFFFAOYSA-N
-rxn:4:218687:225537,CCN(CC)Cc1ccc(F)c(-c2cncc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)c2)c1,JLSQRHFBVKFTGO-UHFFFAOYSA-N
-rxn:4:218696:225363,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1ccc(C(=O)N2CC(F)(F)C2)nc1,DJBSAMFEVCAOJV-UHFFFAOYSA-N
-rxn:4:218698:222589,O=C(C1CC(=O)N(c2ccc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)cc2)C1)N1CCN(CCc2ccncc2)CC1,YDAOTGIXDKVOKH-UHFFFAOYSA-N
-rxn:4:218698:226908,CCCCCc1ccc(-c2ccc(N3CC(C(=O)N4CCN(CCc5ccncc5)CC4)CC3=O)cc2)cc1,HQRQIKDIGLWPFD-UHFFFAOYSA-N
-rxn:4:218746:224324,CCOC(=O)C1CCCN(Cc2cn3c(-c4ccc(-c5ccc(F)c(C(=O)N6CCC(=O)CC6)c5)cc4)nnc3s2)C1,VQXBHCRVMYRFQJ-UHFFFAOYSA-N
-rxn:4:218775:222615,CC(C)Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)cc(C2CCNCC2)c1,VFLJPMDSWRIDTE-UHFFFAOYSA-N
-rxn:4:218778:222622,CCC(C)c1cc(-c2cc(Cl)cc3c2nc(N2CC4(CN(C(=O)OC(C)(C)C)C4)C2)n3Cc2cc(C)c(F)c(C)c2)cc(C2CCCNC2)n1,LRAKVGPOXPFKCE-UHFFFAOYSA-N
-rxn:4:218778:222951,CC(=O)Nc1cc(C(F)(F)F)c(-c2cc(Cl)cc3c2nc(N2CC4(CN(C(=O)OC(C)(C)C)C4)C2)n3Cc2cc(C)c(F)c(C)c2)cn1,JICKVHUEUHYRPI-UHFFFAOYSA-N
-rxn:4:218786:223329,Cc1ccc2cn[nH]c2c1-c1cccc2c3c([nH]c12)CCN(C(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1)C3,YIZOUBWRELKXPQ-UHFFFAOYSA-N
-rxn:4:218837:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCN(Cc5cocn5)CC4)nc3)ccc2OC)CC1,FOAJYSHXNYJZSS-UHFFFAOYSA-N
-rxn:4:218868:222656,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(C(=O)NC4CCCCC4)c(F)c3)cc2)no1,FPTAZTYXFHPJPA-UHFFFAOYSA-N
-rxn:4:218868:225685,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(Cl)c(C4CCCCC4)c3)cc2)no1,MAUVSVMABZTJEU-UHFFFAOYSA-N
-rxn:4:218868:227611,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnn3C3CCCCO3)cc2)no1,RRBIGNDVKDCCMC-UHFFFAOYSA-N
-rxn:4:218885:224328,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCCCC4C)c3)cn2)CC1,NDVNFDGBXZPWLO-UHFFFAOYSA-N
-rxn:4:218898:222634,O=C(c1ccncc1F)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,RAYSJXNNOZOWJT-UHFFFAOYSA-N
-rxn:4:218903:224586,CC1CCN(Cc2ccc(F)cc2-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)CC1,ZREPXAOJKQBOBL-UHFFFAOYSA-N
-rxn:4:218914:224250,Cc1nc(CN2CCC(COc3ncc(-c4cc(C(=O)N5CCCCC5C)ccc4F)cn3)CC2)cs1,LMCXBFLEDKLQKK-UHFFFAOYSA-N
-rxn:4:218944:224340,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cncc(-c4ccc(C(F)(F)F)cc4)c3)cc2[N+](=O)[O-])CC1,FXDNDPZVRRLDER-UHFFFAOYSA-N
-rxn:4:218945:227464,CCCCSc1ncc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)cn1,FIXUMZWMLRIUHP-UHFFFAOYSA-N
-rxn:4:218948:225976,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3ccnc(N4CCOCC4)c3F)cn2)CC1,IGYPEVJIQBFQEP-UHFFFAOYSA-N
-rxn:4:218965:225975,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccnc(N2CCOCC2)c1Cl,SXXLXBIKLSSMCG-UHFFFAOYSA-N
-rxn:4:218968:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)c3)c2)C1,CNAHVFBLMOINHO-UHFFFAOYSA-N
-rxn:4:218970:222634,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,VYICGTGPZCWPHW-UHFFFAOYSA-N
-rxn:4:218971:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)c(Cl)c2)CC1,UYYJDVJXFAPDLK-UHFFFAOYSA-N
-rxn:4:218973:223945,CCc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c3)CC2)nc1,HJWKIAGFUAQQFP-UHFFFAOYSA-N
-rxn:4:218991:224253,CC1CCCCN1C(=O)c1cc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,CNWPBPSRVAFKIF-UHFFFAOYSA-N
-rxn:4:218992:228974,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cnn(S(C)(=O)=O)c4)cn3)C2)CC1,PEKFIGBGUOKCAE-UHFFFAOYSA-N
-rxn:4:218998:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)c2Cl)CC1,CDGAWMSKUVENLY-UHFFFAOYSA-N
-rxn:4:218998:224188,CC(C)N(C(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)c(Cl)c1)C(C)C,GRRUTRVDGDRVNK-UHFFFAOYSA-N
-rxn:4:219000:225187,O=c1cccnn1CCN1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)ccc3CN3CCOCC3)cc2)CC1,ZSNURABUJRTIHE-UHFFFAOYSA-N
-rxn:4:219045:222701,Cc1cc(C)n(CCN2CCN(C(=O)c3ccccc3-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)CC2)n1,NVLMBAIYSKWIIB-UHFFFAOYSA-N
-rxn:4:219053:223065,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCNCC5)cc4F)c3)cn2)CC1,MKSYGRWOASSOCR-UHFFFAOYSA-N
-rxn:4:219073:224582,O=C(c1ccc(-c2cccc(N3CCN(C4CC4)CC3)c2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1,KZRUAUUFKUDWQK-UHFFFAOYSA-N
-rxn:4:219080:223582,COC(=O)c1ccc2cc(-c3ccc(OC)cc3C(=O)N3CCN(c4c(C)nn(-c5ccccc5)c4C)CC3)n(C(=O)OC(C)(C)C)c2c1,DIWDLYCOHUJLBH-UHFFFAOYSA-N
-rxn:4:219093:224881,CCC(=O)C1=C(c2ccc(-c3cccc(CN4CCCCCC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,GBCDUAGTPAOUFD-UHFFFAOYSA-N
-rxn:4:219120:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c(Cl)c2)CC1,FBOXRUVZEBFRIO-UHFFFAOYSA-N
-rxn:4:219128:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)ccn2)CC1,PBERWMUYFKPQFI-UHFFFAOYSA-N
-rxn:4:219130:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)cc2)CC1,WRZBZGFUWRZPDQ-UHFFFAOYSA-N
-rxn:4:219157:225222,COc1ccc(-c2cc(N3CCCCC3C)ncc2F)c(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c1,OYOWIIYWKCGRTO-UHFFFAOYSA-N
-rxn:4:219273:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnn(CC4CN(c5ncccc5C(F)(F)F)C4)c3)c(F)ccc21,CWNJOTBRXGFDSX-UHFFFAOYSA-N
-rxn:4:219354:223695,CN(C1CCN(c2ncc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)C1)S(=O)(=O)C1CC1,DURRXMROHRKDRU-UHFFFAOYSA-N
-rxn:4:219373:225276,CCCOc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1C(F)(F)F,TWXFELNNDAHQDV-UHFFFAOYSA-N
-rxn:4:219381:223658,CSc1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,ACYMERBAIRCIQN-UHFFFAOYSA-N
-rxn:4:219381:226495,CCN(CC)c1cc(-c2cnc(SC)nc2N2CCN(S(=O)(=O)C3CC3)CC2)c(F)cn1,YRGJKZHGOOJAIR-UHFFFAOYSA-N
-rxn:4:219388:225098,O=C(c1ccc(-c2ccc(OCCN3CCCC3)nc2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,MMWMPECLWXFMGH-UHFFFAOYSA-N
-rxn:4:219409:223579,Cc1c(C(=O)N2CCOCC2)nnn1Cc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cc1,CPCCAALNOATLTM-UHFFFAOYSA-N
-rxn:4:219467:223602,Cc1cccc(OCC2CCCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)n1,WPLPNYLJGWCNIA-UHFFFAOYSA-N
-rxn:4:219469:224481,CSc1ncc(-c2ccc(OCCCN3CCCC3)cc2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,DKSZNOHTHZZGSN-UHFFFAOYSA-N
-rxn:4:219471:223787,CSc1ncc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,BUZBXLGGVJXHTH-UHFFFAOYSA-N
-rxn:4:219473:226479,CCCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)c1Cl,DLAZFQDSDSPGCF-UHFFFAOYSA-N
-rxn:4:219497:226095,CCCCOc1cc(C)cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)c1,HOBMLXXAKMXOLD-UHFFFAOYSA-N
-rxn:4:219499:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C#N)c3)cc2)CC1,RCGASIVVCDGSMD-UHFFFAOYSA-N
-rxn:4:219501:227803,CSc1ncc(-c2ccnn2S(=O)(=O)N(C)C)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,AUVXTJOHPKUPSK-UHFFFAOYSA-N
-rxn:4:219533:226231,CCCCOc1ncc(-c2cnc(SC)nc2N2CCCC(C(=O)N3CCOCC3)C2)cc1C,LQIZDDSXALJEEO-UHFFFAOYSA-N
-rxn:4:219565:224569,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(F)cc(OCC5CCCCC5)c4)cc3)CC2)n1,ONSFIQBYDDYSLW-UHFFFAOYSA-N
-rxn:4:219630:223104,CCS(=O)(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccc(NC(=O)C(F)(F)F)cc4)cc23)CC1,ICMIHIPRWXZKRQ-UHFFFAOYSA-N
-rxn:4:219653:225553,CC(C)N(C)C(=O)c1ccc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc1,LMTLPMBEAVJKKG-UHFFFAOYSA-N
-rxn:4:219707:227458,CN1CCOc2cc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)cnc21,SLDZJSZWRPRYSB-UHFFFAOYSA-N
-rxn:4:219762:226866,CC(=O)C1=C(c2ccc(-c3cc(Cl)cc(OC(F)(F)F)c3)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,YUZPSURUWQPGQR-UHFFFAOYSA-N
-rxn:4:219840:223588,Cc1cc(-c2cnc(N3CCN(CCF)CC3)nc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,GFZQOBSXVASKDD-UHFFFAOYSA-N
-rxn:4:219876:222584,CCN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,AYTDDDZQAFLHBL-UHFFFAOYSA-N
-rxn:4:219937:222694,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)n3)C2)c1,STKBTYOQHIUGOK-UHFFFAOYSA-N
-rxn:4:219939:223812,COc1cc(N2CCN(c3ncccc3-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)CC2=O)ccn1,KECCNJDUWPLFFK-UHFFFAOYSA-N
-rxn:4:220038:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)cc1,OIHQECJSZXFSDV-UHFFFAOYSA-N
-rxn:4:220129:222803,O=C1C2CN(c3ncc(-c4ccc(C5CCNC5)c(C(F)(F)F)c4)cn3)CC2C(=O)N1Cc1ccccc1,BGBXGGIGIVEMOX-UHFFFAOYSA-N
-rxn:4:220136:222811,CC(C)(C)OC(=O)Nc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc(Cl)n1,VWPNSWCDFVOTAR-UHFFFAOYSA-N
-rxn:4:220136:223911,CCOC(=O)C1(c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cc2)CCOCC1,JKUMGOYFPOZBRL-UHFFFAOYSA-N
-rxn:4:220136:223997,Cc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc(C)c1S(=O)(=O)N1CCOCC1,MQMPFWLWIAXVQE-UHFFFAOYSA-N
-rxn:4:220164:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(S(=O)(=O)N4CCC(c5nnc6ccccn56)CC4)cc3)ccc2Cl)CC1,OPLDXKVVKHPQAI-UHFFFAOYSA-N
-rxn:4:220226:222724,O=C(C1CCCN(c2ncc3cc(-c4cnc(N5CCNCC5)c(C(F)(F)F)c4)ccc3n2)C1)N1CCOCC1,WSRBMAWVTLOIAV-UHFFFAOYSA-N
-rxn:4:220239:225532,CCN(CC)Cc1ccc(-c2c3c(nn2Cc2ccccc2)C(=O)N([C@H]2COc4ccccc4N(C)C2=O)CC3)c(F)c1,YRTSSIADRDYUTM-LJAQVGFWSA-N
-rxn:4:220430:225186,Fc1ccc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)cc1CN1CCSCC1,UNYFQVKNIRLIGG-UHFFFAOYSA-N
-rxn:4:220443:223534,CCC(=O)N1CCn2nc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)nc2C1,LJSCFPBGEFWVDS-UHFFFAOYSA-N
-rxn:4:220893:223573,CC(=O)N1CCn2nc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc2C1,RIIFVRAPFZFOEQ-UHFFFAOYSA-N
-rxn:4:221090:222769,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(C(=O)NC3CCCC3)c(F)c2)cn1,HZXRAQLMZMJINO-UHFFFAOYSA-N
-rxn:4:221090:222770,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(C(=O)NC3CCCC3)c(Cl)c2)cn1,PDZKVGPSQWJDQD-UHFFFAOYSA-N
-rxn:4:221090:223954,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)cn1,ZPJWEQDFMRBKQK-UHFFFAOYSA-N
-rxn:4:221098:223659,Cn1cc(C(=O)N2CCC(COc3ncc(-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)c(C(F)F)n1,GDACUIUSDCSYBF-UHFFFAOYSA-N
-rxn:4:221100:224793,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(C(F)(F)F)cnc3OCC(C)C)cn2)CC1,TXZZNVFHFBCEID-UHFFFAOYSA-N
-rxn:4:221103:225050,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cc(F)cc(N5CCC(C)CC5)c4)cn3)C2)cn1,SKLVBYKQVTUXBP-UHFFFAOYSA-N
-rxn:4:221121:222848,CCc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C2CCCNC2)n1,FAROZEFDGBPQQZ-UHFFFAOYSA-N
-rxn:4:221121:223206,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc6ccc(C#N)cc6[nH]5)ccc43)CC2)CC1,CVEHVAIZRGQAFM-UHFFFAOYSA-N
-rxn:4:221121:223502,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)ccc43)CC2)CC1,ATRRSSVFLPEYSH-UHFFFAOYSA-N
-rxn:4:221126:222505,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(F)cc(C(=O)NCc6cccc(F)c6)c5)cc4)nnn3c3ccsc23)C1,HVHQRCMVCPQQEO-UHFFFAOYSA-N
-rxn:4:221136:223811,COc1cc(OC)nc(N2CC(Cn3cc(-c4ccc(CN5CCC6(CC5)OCCO6)c(Cl)c4)cn3)C2)n1,XPOASYRSMPFHHC-UHFFFAOYSA-N
-rxn:4:221152:224167,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)cn2)C1,HERHOJNXDMQWHG-UHFFFAOYSA-N
-rxn:4:221180:224612,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCOCC5)cc4)cn3)CC2)nn1C,ZFLIYQIMWUTYFR-UHFFFAOYSA-N
-rxn:4:221180:224968,Cc1ccc(OCC2CCCO2)c(-c2cnc(OCC3CCN(C(=O)c4cc(C)n(C)n4)CC3)nc2)c1,ABJUXAVGPQRTAM-UHFFFAOYSA-N
-rxn:4:221191:222588,Cc1cc(N2CCCC(COc3ncc(-c4ccc(OCCN5CCC(O)CC5)c(F)c4)cn3)C2)nc(C2CC2)n1,ARPOTZLLIYTFAW-UHFFFAOYSA-N
-rxn:4:221196:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCCN(C(=O)c5cnn(-c6ccccc6)c5C)C4)nc3)c(F)c2)CC1,ALDCGFGLJARXEF-CGZQIQLYSA-N
-rxn:4:221228:222723,O=C(c1cnc2ccccc2n1)N1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,MTHYWWIFNNAADA-UHFFFAOYSA-N
-rxn:4:221232:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c2)CC1,DYCUTDZEGPGKDV-UHFFFAOYSA-N
-rxn:4:221257:222637,COC(=O)Cn1c(C)cn2c3c(=O)n(Cc4ccc(-c5ccc(C(C)NC(=O)OC(C)(C)C)cc5)cc4)c(=O)n(C)c3nc12,RDRUATGBTJRLKH-UHFFFAOYSA-N
-rxn:4:221369:222584,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)ccc1=O,FWBDKDZOLYMNPY-UHFFFAOYSA-N
-rxn:4:221394:223945,O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,NRKKXJGKBWHBMA-UHFFFAOYSA-N
-rxn:4:221395:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)c3ccccc23)CC1,VDWHACYUUBPZLU-UHFFFAOYSA-N
-rxn:4:221398:227211,CCCCSc1ccc(-c2cnc(OC3CCN(C(=O)N4CCN(C)CC4)CC3)nc2)cn1,VPMDJILMOFDRLQ-UHFFFAOYSA-N
-rxn:4:221436:224999,CC(c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)cc1)N1CCOCC1,SNYMDVCVLURNFV-UHFFFAOYSA-N
-rxn:4:221452:223185,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4cnc(C5CNCCO5)nc4)c3)CC2)n1,ZQNKGICXFGSVCR-UHFFFAOYSA-N
-rxn:4:221515:225741,CCCCOc1c(F)cc(-c2cncc(C(=O)N3CC4CN(c5cc(C6CC6)ncn5)CC4C3)c2)cc1Cl,LRXODWFVZVVWNY-UHFFFAOYSA-N
-rxn:4:221522:222584,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc(OCCCN6CCNCC6)c(F)c5)cn4)CC3)cnc2c1,LLMUPULZFVPRBQ-UHFFFAOYSA-N
-rxn:4:221522:222684,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cn4)CC3)cnc2c1,AHRLFYWGZZBHKN-UHFFFAOYSA-N
-rxn:4:221522:223945,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc(OCCCN6CCOCC6)c(F)c5)cn4)CC3)cnc2c1,BHIUEHZQIBMHMP-UHFFFAOYSA-N
-rxn:4:221522:224193,CCN1CCN(Cc2cc(-c3cnc(N4CCC(Cn5cnc6cc(OC)ccc6c5=O)CC4)nc3)ccc2F)CC1,JAGCNQZOOQKXJQ-UHFFFAOYSA-N
-rxn:4:221522:224194,CCN1CCN(Cc2ccc(-c3cnc(N4CCC(Cn5cnc6cc(OC)ccc6c5=O)CC4)nc3)cc2Cl)CC1,YASHYQOVFGVIKM-UHFFFAOYSA-N
-rxn:4:221522:224195,CCN1CCN(Cc2cc(-c3cnc(N4CCC(Cn5cnc6cc(OC)ccc6c5=O)CC4)nc3)ccc2Cl)CC1,RAFCMUAJPJYRMP-UHFFFAOYSA-N
-rxn:4:221528:225313,CC(C)c1sc(-c2ccc(N3CCN(C)CC3)nc2F)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,AASTUYBGLIMWDV-UHFFFAOYSA-N
-rxn:4:221604:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(-n3cnnn3)cc2C(=O)N2CCSCC2)CC1,UAQVSYMPTLYEMR-UHFFFAOYSA-N
-rxn:4:221639:222584,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)n1,CFFTZDPJYMQTHF-UHFFFAOYSA-N
-rxn:4:221641:223945,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,DMAQHCNRUFRNEN-UHFFFAOYSA-N
-rxn:4:221641:224170,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)cn2)CC1,ZHMHCIMMUNRNEM-UHFFFAOYSA-N
-rxn:4:221641:224171,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OCCCN4CCCC4)c(F)c3)cn2)CC1,BVEDZLLGIYLVNZ-UHFFFAOYSA-N
-rxn:4:221680:223945,O=c1cc2c(nn1CC1CN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C1)CCC2,YAJVSCQFOJMYSF-UHFFFAOYSA-N
-rxn:4:221723:222584,O=c1cc2c(nn1CC1CCN(c3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC1)CCC2,FRWIWVDTDJXEKN-UHFFFAOYSA-N
-rxn:4:221723:223945,O=c1cc2c(nn1CC1CCN(c3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)CC1)CCC2,XSERBHMMFLWDOK-UHFFFAOYSA-N
-rxn:4:221730:223583,COC(=O)c1ccc2c(-c3cnc(N4CCC(Cn5c(C)nc6cc(F)ccc6c5=O)CC4)nc3)cn(C(=O)OC(C)(C)C)c2c1,DMIQDFSNPYATES-UHFFFAOYSA-N
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-rxn:4:221962:224494,CC(C)c1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccc(CCOC6CCCCO6)cc5)c4)CC3)nn2)n1,ZRIWQEAFAISUEI-UHFFFAOYSA-N
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-rxn:4:222367:224316,CN1CCN(C(=O)c2cc(F)cc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)c2)CC1,HWWKSLQKIFLWKS-UHFFFAOYSA-N
-rxn:4:222380:223755,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(OCCCN7CCC(C)CC7)c(F)c6)cn5)CC4C3)ncnc21,RNBWPHOZOPIYDD-UHFFFAOYSA-N
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-rxn:4:222513:189796,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(CS(=O)(=O)N2CCCC2)cc1,AHLBPRZCEANTNU-UHFFFAOYSA-N
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-rxn:4:222821:185441,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(C3(c4ccc(Cl)cc4)CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1F,FHPBIJHZGQQSNE-UHFFFAOYSA-N
-rxn:4:222930:218944,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCCC(O)C4)c3)cc2[N+](=O)[O-])CC1,NAMUDELWFNZLOP-UHFFFAOYSA-N
-rxn:4:222940:184884,CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(OC(F)(F)F)ccc2/C=N/S(=O)C(C)(C)C)c1,SGKLFSGUMDHPEZ-RPPGKUMJSA-N
-rxn:4:222960:194750,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc(C2CCNCC2)c1,RAZMSKGNLOVZLM-UHFFFAOYSA-N
-rxn:4:223070:204115,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cs1,CRAXUTUXBUYGQZ-UHFFFAOYSA-N
-rxn:4:223071:204118,CCS(=O)(=O)NCc1ccc(-c2ccccc2C(=O)N2CCCN(C3CCSC3)CC2)cc1,XHRRTWSLOLMTKW-UHFFFAOYSA-N
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-rxn:4:223092:214805,CN(C)S(=O)(=O)Nc1cccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)c1,HCSPGBFWQXQEAX-UHFFFAOYSA-N
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-rxn:5:176857:223062:225833,COC(=O)c1cc(OC)c(-c2ccnc(N3CCCCC3)c2F)cc1-c1cnc(C2CCNCC2)cc1F,URPDUHZOHWHOTA-UHFFFAOYSA-N
-rxn:5:176857:223062:225834,COC(=O)c1cc(OC)c(-c2cc(N3CCCCC3)ncc2F)cc1-c1cnc(C2CCNCC2)cc1F,KHOFRLMYTWZUAV-UHFFFAOYSA-N
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-rxn:5:176860:223064:225833,COC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(OC)c1-c1ccnc(N2CCCCC2)c1F,QLGCHCNQFYTIMO-UHFFFAOYSA-N
-rxn:5:176860:223064:225834,COC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(OC)c1-c1cc(N2CCCCC2)ncc1F,LJWSBRVERCRTLZ-UHFFFAOYSA-N
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-rxn:5:176863:223062:225833,COC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)cc(OC)c1-c1ccnc(N2CCCCC2)c1F,FKYJDJNWRNQHTL-UHFFFAOYSA-N
-rxn:5:176863:223062:225849,COC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)cc(OC)c1-c1cnc(N2CCCCC2)cc1F,DRQIPRJQNUSRTF-UHFFFAOYSA-N
-rxn:5:176865:223062:225833,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)cc(OC)c1-c1cnc(C2CCNCC2)cc1F,XTWYLDVOBLGFTI-UHFFFAOYSA-N
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-rxn:5:176870:223062:225833,COC(=O)c1c(OC)cc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccnc(N2CCCCC2)c1F,CCDDREOCRLYXQT-UHFFFAOYSA-N
-rxn:5:176870:223062:225849,COC(=O)c1c(OC)cc(-c2cnc(C3CCNCC3)cc2F)cc1-c1cnc(N2CCCCC2)cc1F,VVKQFADHDHVEJG-UHFFFAOYSA-N
-rxn:5:176871:223062:225833,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)c(OC)cc1-c1cnc(C2CCNCC2)cc1F,CLNXLPSIEKYMPH-UHFFFAOYSA-N
-rxn:5:177184:225831:225976,CCOC(=O)c1c(-c2ccnc(N3CCOCC3)c2F)ccc(C)c1-c1cnc(N2CCOCC2)c(C)c1,YMBIBYMCMBQXJK-UHFFFAOYSA-N
-rxn:5:177185:223062:225784,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccc(CN2CCOCC2)nc1,HSAGUGDUTHRFJC-UHFFFAOYSA-N
-rxn:5:177190:226032:225595,CCS(=O)(=O)Cc1ccc(-c2ccc(F)c(CN3CCCC3)c2)c(-c2cc(OC)cc(C(F)(F)F)c2F)c1,LKDKXGAFUCRDCN-UHFFFAOYSA-N
-rxn:5:177190:226427:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cc(N3CCC(C)CC3)cs2)c1,HDZZYYORRCHIDE-UHFFFAOYSA-N
-rxn:5:177731:226645:225438,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccnc(N4CCOCC4)c3)c2)cc1)N1CCCC1,BKXZVTNQZOTOJN-UHFFFAOYSA-N
-rxn:5:177732:225438:223131,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(N3CCNCC3)cc2)cc1)N1CCCC1,ZLKGXAMXFHLUOS-UHFFFAOYSA-N
-rxn:5:177736:225805:223062,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cnc(C3CCNCC3)cc2F)s1)N1CCOCC1,JUJOXUFYHLVBIG-UHFFFAOYSA-N
-rxn:5:177736:226085:225453,CC(C)(C)OC(=O)c1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc3c(c2)CCC(C)(C)O3)c1,QBNHUUFDWSNOLK-UHFFFAOYSA-N
-rxn:5:177737:223056:225834,CC(C)(C)OC(=O)c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1-c1ccc(N2CCC(O)CC2)nc1,JJIPZZICKVTMOK-UHFFFAOYSA-N
-rxn:5:177739:226679:223064,CC(C)(C)OC(=O)c1cccc(-c2cnc(N3CCCC3)cc2F)c1-c1ccc(C2CCNCC2)nc1F,AUAUTQGACRQLAE-UHFFFAOYSA-N
-rxn:5:177850:225799:227710,CCOc1ccc(-c2cncc(OC3CCOCC3)c2)c(C2OCCO2)c1-c1ccc(OS(C)(=O)=O)cc1,CNUVEHFLDHSHOI-UHFFFAOYSA-N
-rxn:5:177850:225986:223142,CCOc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(C2CCCNC2)nc1,FWMGFADUUPUMQA-UHFFFAOYSA-N
-rxn:5:177891:223134:228868,COC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnccc2C2CCCNC2)s1,RDQTZNBLIDDXBF-UHFFFAOYSA-N
-rxn:5:177891:223135:227278,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cccnc3C3CCCNC3)cn2)CC1,BBYNCWGKBAIBKW-UHFFFAOYSA-N
-rxn:5:177891:223135:228695,CN(C)Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2C2CCCNC2)cs1,LMNAAQMGMKZGBU-UHFFFAOYSA-N
-rxn:5:177891:223140:222405,O=C1NC(=O)C(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCCNC4)c3)c2)N1,IWAMEZDKJJWZNO-UHFFFAOYSA-N
-rxn:5:177891:223141:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1cncc(C2CCNCC2)c1,AFVHWVFXRNPSHU-UHFFFAOYSA-N
-rxn:5:177891:223146:226662,CN1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cccc(C4CNCCO4)c3)s2)CC1,LFBGVTYDLKRWGT-UHFFFAOYSA-N
-rxn:5:177891:223147:223135,O=C(SC1CS(=O)(=O)CC1c1cccnc1C1CCCNC1)c1ccccc1-c1ccc(C2CNCCO2)cc1,GCDSHQDXTLLUET-UHFFFAOYSA-N
-rxn:5:177891:223147:223242,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNC2)c1)c1ccccc1-c1ccc(C2CNCCO2)cc1,CKDBVKNRNQIOOP-UHFFFAOYSA-N
-rxn:5:177891:223147:227437,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCCO2)c1)c1ccccc1-c1ccc(C2CNCCO2)cc1,PWBAWGOWDXNSCN-UHFFFAOYSA-N
-rxn:5:177891:223240:227506,O=C(SC1CS(=O)(=O)CC1c1cccc(/C=C/[N+](=O)[O-])c1)c1ccccc1-c1ccc(C2CCNC2)nc1,NIYOUBLOVAJECL-ACCUITESSA-N
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-rxn:5:177891:223242:225684,Cc1nc(C2CCOCC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccnc(C2CCNC2)c1,RBYCPSRBSNKHBP-UHFFFAOYSA-N
-rxn:5:177891:223281:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1ccc(C2(O)COC2)nc1,GOBQOPNKQZTIEI-UHFFFAOYSA-N
-rxn:5:177891:223285:227403,CS(=O)(=O)Nc1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccc(N2CCCCC2)s1,OBWFYZONPLXMRT-UHFFFAOYSA-N
-rxn:5:177891:223287:227626,CNS(=O)(=O)c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cnc(C3CCOC3)nc2)cc1,ZCWRGBOAQLRRHO-UHFFFAOYSA-N
-rxn:5:177891:223289:223138,CNS(=O)(=O)c1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccnc(C2CCNCC2)c1,MEUMUGJXOGFIEB-UHFFFAOYSA-N
-rxn:5:177891:223384:227449,CNC(=O)c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3CCOCC3)s2)cn1,QAYBEOJSFVFKFN-UHFFFAOYSA-N
-rxn:5:177891:225805:228016,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cc(C3CCCC3)cs2)s1)N1CCOCC1,IUBLRUAXXCVKRK-UHFFFAOYSA-N
-rxn:5:177891:225831:225805,Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C(C)N3CCOCC3)s2)cnc1N1CCOCC1,IINBHCGGVVBSRG-UHFFFAOYSA-N
-rxn:5:177891:226318:228879,CN(C)c1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnn2C2COC2)cc(C2CC2)n1,QRQPABMGKFJFLI-UHFFFAOYSA-N
-rxn:5:177891:226335:227103,N#Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2sccc2C2CCCCC2)ccc1C1COC1,DUBNLTATZBLQCG-UHFFFAOYSA-N
-rxn:5:177891:226661:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cc(N2CCN(C)CC2)cs1,XEBPCDFMOXFJIH-UHFFFAOYSA-N
-rxn:5:177891:226729:223242,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNC2)c1)c1ccccc1-c1cnc(OC2CCOC2)nc1,ZVKXABDVORSSPU-UHFFFAOYSA-N
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-rxn:5:177891:227654:227119,O=C(SC1CS(=O)(=O)CC1c1cc(C2CCCCC2)cs1)c1ccccc1-c1ccc(C2OCCO2)nc1,ZXYLZDSZELTSGE-UHFFFAOYSA-N
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-rxn:5:177891:228623:226586,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOC2)c1)c1ccccc1-c1sccc1C1CCC1,PEFFFLAFFKAVEK-UHFFFAOYSA-N
-rxn:5:178117:226029:225625,CCOc1c(F)c(F)c(-c2ccc(-c3cc(OC4CCCC4)ccc3F)c(OCC3CCOCC3)c2)c(F)c1F,AGQMFXMQGODZEW-UHFFFAOYSA-N
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-rxn:5:178120:223294:227768,CN(C)S(=O)(=O)n1cccc1-c1c(OCC2CCOCC2)cccc1-c1csc(N2CCNCC2)n1,LAXFVLMFPRDZOI-UHFFFAOYSA-N
-rxn:5:178224:222958:227507,Cc1ccc(-c2cc(OCC3CCCCC3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2)cc1C1CCNCC1,SAYCWFCWGNQPJW-UHFFFAOYSA-N
-rxn:5:178224:222986:227501,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(C=C[N+](=O)[O-])cc3)c2)cc(C2CCCNC2)n1,LPVXYFNJKKVJAK-UHFFFAOYSA-N
-rxn:5:178226:223148:227803,CN(C)S(=O)(=O)n1nccc1-c1cccc(OCC2CCCCC2)c1-c1ccccc1C1CNCCO1,WDTRPDBWPVEJBI-UHFFFAOYSA-N
-rxn:5:178226:225684:228016,Cc1nc(C2CCOCC2)ccc1-c1c(OCC2CCCCC2)cccc1-c1cc(C2CCCC2)cs1,SKVCSBCOAMAKDS-UHFFFAOYSA-N
-rxn:5:178295:222405:228921,COC(=O)C1(c2cc(-c3ccc(C(F)F)nc3)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,RYOCBVZTMJODPG-UHFFFAOYSA-N
-rxn:5:178295:223113:223111,COC(=O)C1(c2cc(-c3cccc4[nH]nc(C(C)C)c34)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCC(=O)CC1,YTOIAFYXLUOBIR-UHFFFAOYSA-N
-rxn:5:178295:223139:228892,COC(=O)C1(c2cc(-c3cc(F)nc(C#N)c3)ccc2-c2ccc(C3CCNCC3)nc2)CCC(=O)CC1,BHNRIMYFETULSE-UHFFFAOYSA-N
-rxn:5:178295:223172:223139,COC(=O)C1(c2cc(-c3ccc(C4CCNCC4)nc3)ccc2-c2cc3cc([N+](=O)[O-])ccc3[nH]2)CCC(=O)CC1,YSIVBDWJLGKZFF-UHFFFAOYSA-N
-rxn:5:178295:223242:227091,COC(=O)C1(c2cc(-c3cncc(C4CCCC4)c3)ccc2-c2ccnc(C3CCNC3)c2)CCC(=O)CC1,FCGGBUIYPRMGAQ-UHFFFAOYSA-N
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-rxn:5:178295:227311:228408,CCC(C)c1cc(F)c(-c2ccc(-c3cc(F)c(OC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,OIMMXADBZRGUGU-UHFFFAOYSA-N
-rxn:5:178295:227592:228419,COC(=O)C1(c2cc(-c3cc(F)c(SC)cc3F)ccc2-c2cc(F)cc(OC)c2OC)CCC(=O)CC1,JORZWOJMMHGFGJ-UHFFFAOYSA-N
-rxn:5:178295:228003:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2c(C)cc(SC)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,QEWZGUMMHXAGQF-UHFFFAOYSA-N
-rxn:5:178295:228117:222405,COC(=O)C1(c2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2-c2cncc(OC(C)C)c2)CCC(=O)CC1,FHAMPPMLXGXEFN-UHFFFAOYSA-N
-rxn:5:178295:228403:227313,CCC(C)c1cc(-c2ccc(-c3ccc(F)c(OC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,SKYPRUSPZRWHSM-UHFFFAOYSA-N
-rxn:5:178295:229270:223008,COC(=O)C1(c2cc(-c3cc(C4CCNCC4)ccc3F)ccc2-c2cnc(C#N)s2)CCC(=O)CC1,XOEMLXKMWUZOCE-UHFFFAOYSA-N
-rxn:5:178313:226179:225820,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cncc(C3CCCCC3)c2)c(-c2c(C3CC3)cccc2C(F)(F)F)c1,NNROHTADGVBZND-UHFFFAOYSA-N
-rxn:5:178313:226918:225671,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3=CCCC3)cc2)c(-c2cc(C3CCCCC3)ncc2F)c1,MVKDBQHGJKPOHY-UHFFFAOYSA-N
-rxn:5:178313:226922:225450,Cc1cc(C2CC2)cc(C)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(C(=O)C2CCCC2)cc1,RBLNZHHRKBRLMJ-UHFFFAOYSA-N
-rxn:5:178314:226146:226067,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCC3)cc2)ccc1-c1ccc(C2=CCCCC2)cc1,RKYFXVGHXMWBTI-UHFFFAOYSA-N
-rxn:5:178314:226191:226060,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCCC3)ccc2F)ccc1-c1cc(C2CC2)cc(C2CC2)c1,LSOVZPIXYPXQQB-UHFFFAOYSA-N
-rxn:5:178314:227724:225451,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(OC(F)F)ccc2F)ccc1-c1ccc(SC2CCCCC2)cc1,GZIUFGKPNIPSSX-UHFFFAOYSA-N
-rxn:5:178315:225450:227313,CCC(C)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(C(=O)C4CCCC4)cc3)c2)c(F)cn1,MYKYFDZIDQIWLI-UHFFFAOYSA-N
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-rxn:5:178467:223062:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,UZLJYYXAEJEWBX-UHFFFAOYSA-N
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-rxn:5:178467:226371:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3cnc(N4CCCC4)cc3C)c2OC1,BAKGTIIYBWXOGF-UHFFFAOYSA-N
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-rxn:5:178467:226658:226371,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3C)cc(-c3ccc(N4CCCC4)nc3F)c2OC1,MGCKWPZMVMSCSV-UHFFFAOYSA-N
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-rxn:5:178467:227297:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3cc(CN(C)C)ccc3F)c2OC1,CFUCCBJUFPVFFX-UHFFFAOYSA-N
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-rxn:5:178556:226137:225438,CC(C)c1ncc(C2CC2)cc1-c1ccc(-c2ccc(C(C)N3CCCC3)cc2)cc1COc1ccc2c(c1)C(=O)CCC2,PPZFANZFQGXQIG-UHFFFAOYSA-N
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-rxn:5:180203:226583:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(OC2CCOCC2)cc(-c2ccc(CN3CCOCC3)s2)c1,MWNQNGQJXFWYCA-UHFFFAOYSA-N
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-rxn:5:180662:223000:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3ccc(C4CCCNC4)c(F)c3)c2OC1,VMWGJEPVYYXKLL-PKNBQFBNSA-N
-rxn:5:180662:223061:226644,COC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,BKDMISQVSUKUOZ-UHFFFAOYSA-N
-rxn:5:180662:223285:225607,COC(=O)C1=Cc2cc(-c3ccc(C(C)N4CCCCC4)s3)cc(-c3ccccc3NS(C)(=O)=O)c2OC1,FBGNVVHUXQQOED-UHFFFAOYSA-N
-rxn:5:180662:223294:225982,COC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,REVDXARRXHJGLQ-UHFFFAOYSA-N
-rxn:5:180662:226643:226469,COC(=O)C1=Cc2cc(-c3ccc4c(c3)N(C)C(=O)CO4)cc(-c3ccc(N4CCOCC4)nc3)c2OC1,PHUKNSTWUVFGBY-UHFFFAOYSA-N
-rxn:5:181624:225832:225439,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(-c2cccc(C(C)N3CCCC3)c2)c1,NGGMQKIXNIZRFR-UHFFFAOYSA-N
-rxn:5:181628:225832:225514,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1,NMUJVBCSKCRDLF-UHFFFAOYSA-N
-rxn:5:181905:222998:225832,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cc(F)cc(C2CCCNC2)c1,UKNJILLVPCAYAR-UHFFFAOYSA-N
-rxn:5:181905:225439:225683,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1cccc(C(C)N2CCCC2)c1,NFKOJJYNFAMEIZ-UHFFFAOYSA-N
-rxn:5:181907:225831:226686,Cc1cc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,IOYSYJTXUDYADU-UHFFFAOYSA-N
-rxn:5:181908:222996:225683,Cc1cc(-c2ccc(F)cc2C2CCCNC2)c(-c2ccc(C3CCCOC3)nc2C)cc1C1OCCO1,QGOCHMJPSOUQES-UHFFFAOYSA-N
-rxn:5:181908:222998:226652,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cc(F)cc(C3CCCNC3)c2)n(C2CCCCO2)n1,YNQNKMUBDMFKLL-UHFFFAOYSA-N
-rxn:5:181908:225784:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(CN3CCOCC3)nc2)cc1C1CCNCC1,AAKPEPUAUWINGN-UHFFFAOYSA-N
-rxn:5:181908:225805:223148,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccccc2C2CNCCO2)cc1C1OCCO1,WPXLPUCSFNZJFI-UHFFFAOYSA-N
-rxn:5:182010:226665:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2cnc(C3CCCOC3)nc2)c1,VUMHPVYSNAUCBH-UHFFFAOYSA-N
-rxn:5:182012:225581:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1C1CCCOC1,CMDLCWJKWYMKSD-UHFFFAOYSA-N
-rxn:5:188448:223141:223062,COC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)c([N+](=O)[O-])cc1-c1cncc(C2CCNCC2)c1,XRNOABSBAPHCAF-UHFFFAOYSA-N
-rxn:5:188616:225784:225924,CCOc1cc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccc(S(=O)(=O)N(C)C)cc2C)cc1[N+](=O)[O-],WXAGTMXQSJXRDI-UHFFFAOYSA-N
-rxn:5:188868:225976:226661,CC(C)OC(=O)c1ccnc(-c2cc(N3CCN(C)CC3)cs2)c1-c1ccnc(N2CCOCC2)c1F,XDFNWAGBPIIRIJ-UHFFFAOYSA-N
-rxn:5:188868:225976:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1ccnc(N2CCOCC2)c1F,LBSJZFSNOITEGC-UHFFFAOYSA-N
-rxn:5:188930:228140:225395,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N(C)C)s2)cc1-c1cc(C2CC2)cc(C(C)(C)C)c1,KFAQHNJPEMBLFL-UHFFFAOYSA-N
-rxn:5:188932:227656:225639,COC(=O)c1cc(-c2cc(N3CCOCC3)cs2)c(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)c1,KMOAKQYXDIUFBO-UHFFFAOYSA-N
-rxn:5:189078:225976:225978,CCN(C)C(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(N2CCOCC2)nc1F,SFQRDFWQAMWZLW-UHFFFAOYSA-N
-rxn:5:189078:225978:225976,CCN(C)C(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1ccnc(N2CCOCC2)c1F,AWKZIRJJYCJFNG-UHFFFAOYSA-N
-rxn:5:189078:225978:226661,CCN(C)C(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1cc(N2CCN(C)CC2)cs1,KTORCBGRYDJZCN-UHFFFAOYSA-N
-rxn:5:189078:225978:226662,CCN(C)C(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1ccc(N2CCN(C)CC2)s1,LZWBTNHEXIEGGR-UHFFFAOYSA-N
-rxn:5:189078:225982:225976,CCN(C)C(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1ccnc(N2CCOCC2)c1F,GGCGAENHZUKUBT-UHFFFAOYSA-N
-rxn:5:189078:225982:226662,CCN(C)C(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1ccc(N2CCN(C)CC2)s1,TTXBGKORRFTWLW-UHFFFAOYSA-N
-rxn:5:189079:225976:226662,CCN(C)C(=O)c1ccc(-c2ccc(N3CCN(C)CC3)s2)c(-c2ccnc(N3CCOCC3)c2F)c1,FRAIJSMCLVBNQQ-UHFFFAOYSA-N
-rxn:5:189079:225982:226661,CCN(C)C(=O)c1ccc(-c2cc(N3CCN(C)CC3)cs2)c(-c2cnc(N3CCOCC3)cc2F)c1,NNITVZIWGJWEHV-UHFFFAOYSA-N
-rxn:5:189079:225982:226662,CCN(C)C(=O)c1ccc(-c2ccc(N3CCN(C)CC3)s2)c(-c2cnc(N3CCOCC3)cc2F)c1,GTLCLTSVQUDLHO-UHFFFAOYSA-N
-rxn:5:189079:226661:223061,CCN(C)C(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,OKIWGJOCKQFGEQ-UHFFFAOYSA-N
-rxn:5:189079:226661:225978,CCN(C)C(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,NTPGHBWMMNSEKP-UHFFFAOYSA-N
-rxn:5:189079:226661:225980,CCN(C)C(=O)c1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,GYWGRINAYVGPPW-UHFFFAOYSA-N
-rxn:5:189079:226662:223065,CCN(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,XZWYXOWTRTUIOF-UHFFFAOYSA-N
-rxn:5:189079:226662:225980,CCN(C)C(=O)c1ccc(-c2cc(N3CCOCC3)ncc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,WNHDIJNNLLXSOP-UHFFFAOYSA-N
-rxn:5:189207:227040:226883,Cc1ccc(OC(C)C)c(-c2ccc(-c3c(F)ccc(C(F)(F)F)c3F)c(C(=O)ON3C(=O)CCC3=O)c2)c1,PEYWXZLOXOAXCJ-UHFFFAOYSA-N
-rxn:5:189209:225602:229085,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4scnc4C4CC4)c3)c2)CCC1,LPTMCCFZUPXCBM-UHFFFAOYSA-N
-rxn:5:189209:227965:226437,Cc1ccnc(C(C)C)c1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(C3CCCC3)ncc2F)c1,WCFBYXZUCWWROP-UHFFFAOYSA-N
-rxn:5:189210:225833:228678,CC(C)Cn1nccc1-c1cccc(-c2ccnc(N3CCCCC3)c2F)c1C(=O)ON1C(=O)CCC1=O,FSYSLTCXOYHWOL-UHFFFAOYSA-N
-rxn:5:189210:226605:223285,CC(C)Oc1cc(F)c(-c2cccc(-c3ccccc3NS(C)(=O)=O)c2C(=O)ON2C(=O)CCC2=O)cc1F,ZFEUHDVWFWLVBF-UHFFFAOYSA-N
-rxn:5:189211:226329:227187,CN1Cc2c(cccc2-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(C3(C#N)CC3)c(F)c2)C1=O,IBAMEWMLYJEAMW-UHFFFAOYSA-N
-rxn:5:189212:228107:227403,CCC(C)c1ncncc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(N2CCCCC2)s1,NVMMWKUUGJVVLE-UHFFFAOYSA-N
-rxn:5:189319:223007:226035,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(-c2cc(F)cc(C3CCNCC3)c2)c(C(=O)OC(C)(C)C)n1,UUZOBKDSNYBAQG-UHFFFAOYSA-N
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-rxn:5:189449:225945:227119,COC1CN(C(=O)c2cc(-c3cc(C4CCCCC4)cs3)ccc2-c2ccc(C#CC(F)(F)F)c(F)c2)C1,BZRWKTWMWNZNGH-UHFFFAOYSA-N
-rxn:5:189673:227028:223008,CC(C)(C)S(=O)/N=C/c1ccc(-c2cccc(C3(C#N)CC3)c2)cc1-c1cc(C2CCNCC2)ccc1F,RGXZVRDSUYFIBL-ZSNJKBEMSA-N
-rxn:5:189718:225870:228706,CN(C)c1cc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2cc(F)cc(N3CCOCC3)c2)ccn1,BPGYMHBZVYDMAQ-UHFFFAOYSA-N
-rxn:5:189826:226189:228210,O=C(Cc1ccc(-c2ccc(N3CCCC3)s2)cc1-c1ccc(C2CCCC2)c(F)c1)N1CCOCC1,ULIYUCNLNDFVHV-UHFFFAOYSA-N
-rxn:5:189908:227024:225818,CC(c1cccc(-c2cnc(-c3ccc(C(F)(F)F)cc3C3CC3)c(OCC3CCCCC3)c2)c1)N(C)C,CYYVJHQKZXGUJB-UHFFFAOYSA-N
-rxn:5:189909:225834:225980,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2cc(N3CCCCC3)ncc2F)c(CCN2CCOCC2)c1,KELVJTSJCYXGRN-UHFFFAOYSA-N
-rxn:5:189909:226644:225976,Fc1c(-c2ccc(-c3cncc(N4CCOCC4)c3)c(CCN3CCOCC3)c2)ccnc1N1CCOCC1,VROWOQNBHAIBLX-UHFFFAOYSA-N
-rxn:5:189910:223061:227387,Fc1cnc(C2CCNCC2)cc1-c1ccc(-c2ccnc(N3CCCC3)c2)c(CCN2CCOCC2)c1,BPLBEGDMCZECQT-UHFFFAOYSA-N
-rxn:5:189952:225976:227316,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,DPRGITANBWQTNT-UHFFFAOYSA-N
-rxn:5:190000:226130:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(CN4CCCC4)cc3)c2)cc1,TWDWBEXJKMYNSX-UHFFFAOYSA-N
-rxn:5:190000:226144:225499,C[Si](C)(C)C#Cc1ccc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2CC(=O)N2CCCCC2)cc1,XHQNRQOOJFHVSS-UHFFFAOYSA-N
-rxn:5:190127:226916:227071,COCc1cc(C)c(-c2ccc(-c3cccc(C4=CCCC4)c3)cc2C(=O)N2CCC(OC)CC2)c(C)c1,WMBIAZCQPHITCH-UHFFFAOYSA-N
-rxn:5:190127:227067:227052,COc1ccc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C(=O)N3CCC(OC)CC3)c2)c(C2CC2)c1,QGPWMPWQPCOVGA-UHFFFAOYSA-N
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-rxn:5:190194:226364:222409,COc1ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(N3CCCCC3)nc2)cc1S(N)(=O)=O,ITMWKYSNVNBAPM-UHFFFAOYSA-N
-rxn:5:190195:223062:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1cnc(C2CCNCC2)cc1F,IIRFUVMKAJAZQO-UHFFFAOYSA-N
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-rxn:5:190197:225589:225498,CN(Cc1ccc(-c2cc(C3CCCCC3)ccc2F)cc1-c1ccc(CN2CCSCC2)cc1)C1CCOCC1,SLOVKHTUJZPHJE-UHFFFAOYSA-N
-rxn:5:190198:225591:228162,CCOc1c(F)cccc1-c1cccc(-c2cc(CN3CCCC3)ccc2F)c1CN(C)C1CCOCC1,YIPDSFXRZLCDAH-UHFFFAOYSA-N
-rxn:5:190199:223113:226364,CN(Cc1cc(-c2ccc(N3CCCCC3)nc2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,AYYIRLGAYUWVRB-UHFFFAOYSA-N
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-rxn:5:190200:225931:228145,COc1ccc(C#N)c(-c2cc(CN(C)C3CCOCC3)cc(-c3cc(C)cc(S(=O)(=O)N(C)C)c3)c2)c1,SFXZHDXULNWABY-UHFFFAOYSA-N
-rxn:5:190201:222417:226571,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2cnn(CC3CCOCC3)c2)CCO1,NCIHMEAGSBLVPD-UHFFFAOYSA-N
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-rxn:5:190309:225886:225394,CC1CCCCN1CCc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)ccc1-c1cc(C2CCC2)cc(C2CC2)c1,HJALFGYIIUBUOB-UHFFFAOYSA-N
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-rxn:5:190337:227918:227523,COC(=O)c1cnc(C)cc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2ccc(SC3CC3)cc2)c1OC,FYBUEFNWAQDILK-UHFFFAOYSA-N
-rxn:5:190418:227311:222982,CCC(C)c1cc(F)c(-c2ccc(CC3CC(=O)N(c4ccc(-c5ccc(CN6CC[C@@H](O)C6)cc5)cc4C)C3=O)cc2)cn1,ZGDCZRDWMCHIHV-UIRWMKHWSA-N
-rxn:5:190459:225470:225886,CC1CCN(c2ccc(-c3ccccc3C(=O)N3CCSC(c4ccccc4-c4ccc5c(ccn5S(C)(=O)=O)c4)CC3)cc2)CC1,GYYWKTHKOIEODG-UHFFFAOYSA-N
-rxn:5:190484:225440:227808,N#CC1(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc6c(c5)CCCC6)S(=O)(=O)CC4)c3)cc2)CCCC1,CGSYLDPFWNCSOR-UHFFFAOYSA-N
-rxn:5:190484:227501:223142,O=C(c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccc(C3CCCNC3)nc2)S(=O)(=O)CC1,QOZIYTAWTMCHMC-UHFFFAOYSA-N
-rxn:5:190484:227525:227412,CCc1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnc(C(C)(C)C)cc3F)S(=O)(=O)CC2)c1,VMOIWNBWJYUHKK-UHFFFAOYSA-N
-rxn:5:190484:227817:227415,CC(C)Cc1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(C)(C)C)nc3F)S(=O)(=O)CC2)c1,IXADZFXKLALUQV-UHFFFAOYSA-N
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-rxn:5:190740:225805:226412,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C(C)N4CCOCC4)s3)cc2c1-c1cc(F)cc(N2CCCC2)c1,JMFUCUCZYHWEDR-UHFFFAOYSA-N
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-rxn:5:190740:225834:223004,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1ccc(C2CCNCC2)c(F)c1,WNTHSYFXNLAGLS-UHFFFAOYSA-N
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-rxn:5:190740:225849:223006,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(F)c(C2CCNCC2)c1,LPKVRLCOABMEJP-UHFFFAOYSA-N
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-rxn:5:190740:225976:225639,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cccnc1N1CCC(C)CC1,DPKLTPFGKALDFJ-UHFFFAOYSA-N
-rxn:5:190740:225976:225641,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccnc(N2CCCC(C)C2)c1,UTBXZLWHYVDLDY-UHFFFAOYSA-N
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-rxn:5:190741:225674:222980,CCOC(=O)c1cnc2c(-c3cnc(C4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(CN2CCNCC2)cc1,AMWWMHNIQJCNOD-UHFFFAOYSA-N
-rxn:5:190741:225677:222980,CCOC(=O)c1cnc2c(-c3ccc(C4CCCCC4)nc3F)cc(C)cc2c1-c1ccc(CN2CCNCC2)cc1,ZJMPTSUGMNDMPW-UHFFFAOYSA-N
-rxn:5:190741:225805:226412,CCOC(=O)c1cnc2c(-c3ccc(C(C)N4CCOCC4)s3)cc(C)cc2c1-c1cc(F)cc(N2CCCC2)c1,SBCBPOZMVMCURQ-UHFFFAOYSA-N
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-rxn:5:190741:225833:223004,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)cc(C)cc2c1-c1ccc(C2CCNCC2)c(F)c1,DCYVONJSCOJMNR-UHFFFAOYSA-N
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-rxn:5:190741:225834:223004,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1ccc(C2CCNCC2)c(F)c1,UMJIAOSDBDLHPX-UHFFFAOYSA-N
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-rxn:5:190741:225849:222996,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(F)cc1C1CCCNC1,NRFDAVRSFXTCGS-UHFFFAOYSA-N
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-rxn:5:190741:225849:223006,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(F)c(C2CCNCC2)c1,ZXBPUACKXZNLQQ-UHFFFAOYSA-N
-rxn:5:190741:225849:223008,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1cc(C2CCNCC2)ccc1F,UOTFIUJSBDLXCH-UHFFFAOYSA-N
-rxn:5:190741:225849:225784,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(CN2CCOCC2)nc1,DFAAVTXLYPPCEH-UHFFFAOYSA-N
-rxn:5:190741:225976:225636,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccnc(N2CCC(C)CC2)c1,YUIOTEBVJKEADG-UHFFFAOYSA-N
-rxn:5:190741:225976:225639,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cccnc1N1CCC(C)CC1,HDAKAOPUDCXQNL-UHFFFAOYSA-N
-rxn:5:190741:225976:225881,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(C2CCOCC2)nc1F,IMIRZRZZEKKXDG-UHFFFAOYSA-N
-rxn:5:190742:225655:223065,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccc(N2CCNCC2)cc1F,GTCKIJZQOVKNMO-UHFFFAOYSA-N
-rxn:5:190742:225833:223061,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1cc(C2CCNCC2)ncc1F,SIADRJBDMSYPFJ-UHFFFAOYSA-N
-rxn:5:190742:225849:223061,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cc(C2CCNCC2)ncc1F,VXMBPIJTBOULDU-UHFFFAOYSA-N
-rxn:5:190743:225833:223004,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccc(C2CCNCC2)c(F)c1,ZIKLBMRNMLMJPJ-UHFFFAOYSA-N
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-rxn:5:190743:225849:223002,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1ccc(C2CCNCC2)cc1F,AHNZVIYLCNQXMC-UHFFFAOYSA-N
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-rxn:5:190743:225849:223006,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1ccc(F)c(C2CCNCC2)c1,MWDAGQFUURQCNV-UHFFFAOYSA-N
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-rxn:5:190744:225834:223004,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccc(C2CCNCC2)c(F)c1,VLXNBXCWHOAPTK-UHFFFAOYSA-N
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-rxn:5:193972:223139:228868,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4CCNCC4)nc3)cc2C)s1,GUBLFMRJTRRVKJ-UHFFFAOYSA-N
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-rxn:5:194792:227139:227761,N#Cc1cccc2sc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(-c7ccc(F)cc7C(F)(F)F)cc6)C(=O)C45)cc3)cc12,MOZSZJDYOZZCIM-UHFFFAOYSA-N
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-rxn:5:196408:227449:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCOCC3)s2)c1,DLKUYEDLTNYHQN-UHFFFAOYSA-N
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-rxn:5:196858:225407:222956,Cc1ccc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCCCCC3)cc2)c(C2CCCNC2)c1,COBNGEWZHHPZPY-UHFFFAOYSA-N
-rxn:5:196858:226686:225784,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1ccc(CN2CCOCC2)nc1,JORUEDYFAXNJRC-UHFFFAOYSA-N
-rxn:5:196872:225832:227610,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccn(C3CCCCO3)n2)ccc1N1CCOCC1,CLDSUTYZEXVBOZ-UHFFFAOYSA-N
-rxn:5:196971:222998:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(F)cc(C3CCCNC3)c2)ncc1C1CCCCC1,YDNDBCDMGJLXRV-UHFFFAOYSA-N
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-rxn:5:197876:223229:226762,CSc1cc(-c2cc3c(cc2-c2cc(NC(C)=O)ccc2C)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,IIEMYAYOUUACDB-UHFFFAOYSA-N
-rxn:5:197876:225441:228478,CC(C)(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1cncc(C(F)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,ZHASDOWHEZUGSK-UHFFFAOYSA-N
-rxn:5:197876:225498:227949,Cc1cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C)c1C#N,QRKIJFFMRAYPKW-UHFFFAOYSA-N
-rxn:5:197876:225498:228649,Cc1cc(C)c(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,ZTCWKHNNZRWHOW-UHFFFAOYSA-N
-rxn:5:197876:225498:228692,CN(C)Cc1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1,OZNXBFWCGUVKEY-UHFFFAOYSA-N
-rxn:5:197876:225499:223267,CNC(=O)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,ATUUQAXVAVZHAF-UHFFFAOYSA-N
-rxn:5:197876:225499:226946,CN1CCc2cc(-c3cc4c(cc3-c3ccc(C5CCCCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2C1,FOJUZLPGUMGNKL-UHFFFAOYSA-N
-rxn:5:197876:225499:227353,COc1cc(C)c(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(OC)c1,JFAHAVZQKJXUQS-UHFFFAOYSA-N
-rxn:5:197876:225499:228505,CCCc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,QREPVDGZNCCYPL-UHFFFAOYSA-N
-rxn:5:197876:225591:227978,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DDWOFJFWJCVFCW-UHFFFAOYSA-N
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-rxn:5:197876:225601:228146,CCc1cncc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1OC,BCHZADIVOWAHSJ-UHFFFAOYSA-N
-rxn:5:197876:225603:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,NAQQVJQOIDZWKQ-UHFFFAOYSA-N
-rxn:5:197876:225671:228609,COc1cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C,ZDZTZSRHUHCBCQ-UHFFFAOYSA-N
-rxn:5:197876:225677:227908,CC(C)Cc1ncccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,HHZZITRRZVIHGX-UHFFFAOYSA-N
-rxn:5:197876:225679:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(N3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PXXCVGUHIRBPIA-UHFFFAOYSA-N
-rxn:5:197876:225706:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cc2c(cc1-c1cc3ncn(C(C)C)c3cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,CLVPSYJJOLOVED-UHFFFAOYSA-N
-rxn:5:197876:225815:227933,CCc1ccc(OC)cc1-c1cc2c(cc1-c1ccc(C3CC3)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,UCHLYTPLGMGGSR-UHFFFAOYSA-N
-rxn:5:197876:225816:228566,CC(C)Cc1sccc1-c1cc2c(cc1-c1cc(C3CC3)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,ROZNEFMIMUADAE-UHFFFAOYSA-N
-rxn:5:197876:225820:227823,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1c(C3CC3)cccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,AJMYSAVNONYFMB-UHFFFAOYSA-N
-rxn:5:197876:225823:226711,CC(C)c1cc(-c2cc3c(cc2-c2ccc4cnn(C(F)F)c4c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,FNZITZHUWNOEIR-UHFFFAOYSA-N
-rxn:5:197876:225833:228282,CC(F)(F)c1ccccc1-c1cc2c(cc1-c1ccnc(N3CCCCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,HKYKBHFXJOBCQB-UHFFFAOYSA-N
-rxn:5:197876:225849:228606,CCc1ccc(F)c(-c2cc3c(cc2-c2cnc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VLAJAOHTCKZTNM-UHFFFAOYSA-N
-rxn:5:197876:225936:227670,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(F)cc(C(C)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,SCMTYTFLURYSHA-UHFFFAOYSA-N
-rxn:5:197876:225936:228791,CSc1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)cnc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,VZDAVEUMSDOENQ-UHFFFAOYSA-N
-rxn:5:197876:225980:227811,CC(C)Cc1ccc(-c2cc3c(cc2-c2cc(N4CCOCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,MADYCLHTXALLIX-UHFFFAOYSA-N
-rxn:5:197876:226059:226085,CC(C)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,PWORFZUTSBLYSL-UHFFFAOYSA-N
-rxn:5:197876:226059:227820,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,PBJBQRAZXYEQHS-UHFFFAOYSA-N
-rxn:5:197876:226190:228000,COc1cc(C)c(C)cc1-c1cc2c(cc1-c1ccc(C3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PQDGXMMXLMWVQF-UHFFFAOYSA-N
-rxn:5:197876:226191:227999,CC(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,MZQVIFANWISQQF-UHFFFAOYSA-N
-rxn:5:197876:226191:228274,CSc1cc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cc1C,SPNQYIDBLMHQHP-UHFFFAOYSA-N
-rxn:5:197876:226320:227948,Cc1ncc(C2CC2)cc1-c1cc2c(cc1-c1cc(C3(C#N)CC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,MCLMZWFQNFUNPA-UHFFFAOYSA-N
-rxn:5:197876:226320:228388,Cc1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc(C3(C#N)CC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PXGCASXXZKEKNR-UHFFFAOYSA-N
-rxn:5:197876:226325:226921,Cc1cc(C)c(C2CC2)cc1-c1cc2c(cc1-c1ccc(C(C)(C)C#N)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,MLOCBOQRHBOPQH-UHFFFAOYSA-N
-rxn:5:197876:226325:227039,CC(C)(C)Oc1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,UDGIWHJTLQVAPX-UHFFFAOYSA-N
-rxn:5:197876:226325:227313,CCC(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cn1,CORYXBWGPDNYCQ-UHFFFAOYSA-N
-rxn:5:197876:226325:227402,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,KBNDQSXZYZWWTK-UHFFFAOYSA-N
-rxn:5:197876:226325:227909,CCC(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,MCDYPUPQYJUXSR-UHFFFAOYSA-N
-rxn:5:197876:226325:228567,CCC(C)c1sccc1-c1cc2c(cc1-c1ccc(C(C)(C)C#N)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PZTKQOBZRKXLCR-UHFFFAOYSA-N
-rxn:5:197876:226328:228344,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2ccc(SC(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,UFKITSZOTNTVIR-UHFFFAOYSA-N
-rxn:5:197876:226432:227908,CC(C)Cc1ncccc1-c1cc2c(cc1-c1ccc(C3CCCC3)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PUMCRTVDLOBORM-UHFFFAOYSA-N
-rxn:5:197876:226437:227048,CC(C)C(=O)c1ccc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,XBCAVFOZCXYVRV-UHFFFAOYSA-N
-rxn:5:197876:226441:228610,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(N4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1,JEXZPVMKXFXVLC-UHFFFAOYSA-N
-rxn:5:197876:226582:225439,CC(c1cccc(-c2cc3c(cc2-c2ccc(C(=O)N(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N1CCCC1,MAZQJQZPAFKGQK-UHFFFAOYSA-N
-rxn:5:197876:226589:227023,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C(C)N(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,ZJDNMWUKJHNZGR-UHFFFAOYSA-N
-rxn:5:197876:226605:228107,CCC(C)c1ncncc1-c1cc2c(cc1-c1cc(F)c(OC(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,FCDAWKCZJFPKCK-UHFFFAOYSA-N
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-rxn:5:197876:226745:223202,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C3(O)CCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,TYTFGSTXDONLBS-UHFFFAOYSA-N
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-rxn:4:176106:222913,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)c(F)c(C(F)(F)F)c1,MVBDYHCRRBHQRI-UHFFFAOYSA-N
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-rxn:4:178597:228564,CCC(C)c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)s1,PKZMDJVYWAUCHW-UHFFFAOYSA-N
-rxn:4:178639:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3OC(F)F)cc2)CC1,HKYQECXTWKSQKX-UHFFFAOYSA-N
-rxn:4:178723:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccccc3C(=O)C(F)F)c2)CC1,DALMQPYILYCYCS-UHFFFAOYSA-N
-rxn:4:178740:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(C(=O)C(F)F)cc3F)cc21,WHSHOIIMVJUNDB-UHFFFAOYSA-N
-rxn:4:179085:223591,Cc1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c(OC(F)F)cc1F,IBAVHQUEQHIOKE-UHFFFAOYSA-N
-rxn:4:179096:223506,CSc1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(F)F)c1Cl,YCAQJHBJBZLLTJ-UHFFFAOYSA-N
-rxn:4:179270:223660,CC(=O)Cc1c(F)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1F,BWTDCRMOEGLWJE-UHFFFAOYSA-N
-rxn:4:179474:223595,Cc1ccc(S(=O)(=O)C(F)F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,SHBDAVDOSBOEQG-UHFFFAOYSA-N
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-rxn:4:179747:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)c(C4COC4)c3)c(F)c2)CC1,LTOLCGUUJCLRMA-UHFFFAOYSA-N
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-rxn:4:180035:223814,COc1c(F)cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1C1OCCO1,NPXPFNRVWGVWSN-UHFFFAOYSA-N
-rxn:4:180077:223559,CC(=O)C(C)(C)c1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,VBGWEUCKYBFJGL-UHFFFAOYSA-N
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-rxn:4:180728:223503,CC(C)OC1CCc2cc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)ccc21,WQHNUMMSVKTDFX-UHFFFAOYSA-N
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-rxn:4:182372:224552,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(F)cc(COC4CCCCC4)c3)cc1C2=O,URGSJSSGEGWRHH-XBTDCMMSSA-N
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-rxn:4:182409:223895,CCN1CCN(CCOc2ccc(-c3ccc4cc(C56CC7CC(CC(C7)C5)C6)ccc4c3)cc2)CC1,AGKYLWCBVRBCAT-UHFFFAOYSA-N
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-rxn:4:183271:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCO2,PISVDWLKXXTFKM-UHFFFAOYSA-N
-rxn:4:183272:227432,Cc1nc(C2COC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,GHKTZRGURFKAQF-UHFFFAOYSA-N
-rxn:4:183273:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCOCCO2,RXHWTNUDQYWMJO-UHFFFAOYSA-N
-rxn:4:183273:224759,O=C(c1cc(F)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1)N1CCOCC1,LOAFZEBBCZIGQC-UHFFFAOYSA-N
-rxn:4:183494:223901,CCOC(=O)Cc1c(C#N)cc(C(F)F)cc1-c1ccc(OCCN2CCC(C)CC2)c(Cl)c1,WFGRRTQIPZCBLU-UHFFFAOYSA-N
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-rxn:4:183702:222607,COC(=O)c1cc(OCc2ccccc2)c(-c2ccc(NC3CCN(S(C)(=O)=O)CC3)cc2)cc1[N+](=O)[O-],UJXIDBZHLRWGPV-UHFFFAOYSA-N
-rxn:4:183723:223762,COC(=O)c1c(-c2ccc(OC(F)(F)F)cc2OCCN2CCCC2)c(C)n(Cc2ccccc2)c1C,FPVAIBHSISCGLH-UHFFFAOYSA-N
-rxn:4:183765:222875,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2cc(C(=O)NC(C)(C)C)ccc2F)C1,VUNMOICNCFWVRA-UHFFFAOYSA-N
-rxn:4:183777:224566,CCCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3(C(=O)OC)CCCC3)cc2)c1,YYGXOWLFHIAPCD-UHFFFAOYSA-N
-rxn:4:183786:225080,CCN(Cc1cccc(-c2ccc3c(c2)CCC(C(=O)OC)O3)c1Cl)C(=O)OC(C)(C)C,WILMBWQCSXXDSJ-UHFFFAOYSA-N
-rxn:4:183787:222781,CCN(Cc1cc(-c2cnc(C)cc2NC(=O)OC(C)(C)C)ccc1Cl)C(=O)OC(C)(C)C,QDKCKQKUKKMXKU-UHFFFAOYSA-N
-rxn:4:183787:223542,CCN(Cc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)ccc1Cl)C(=O)OC(C)(C)C,OJUNBLYOUUCVMQ-UHFFFAOYSA-N
-rxn:4:183788:222910,CCCNS(=O)(=O)c1ccc(-c2c(Cl)cccc2CN(CC)C(=O)OC(C)(C)C)c(C)c1,NFPCXYJITOJKSC-UHFFFAOYSA-N
-rxn:4:183796:222864,COC(=O)c1ccc(-c2ccc(OCCNC(C)C)c(F)c2)cc1N(C)C(=O)OC(C)(C)C,XTGDQLIFRTYYOT-UHFFFAOYSA-N
-rxn:4:183804:225758,CC(C)(C)OC(=O)c1cnccc1-c1cc(OC(F)(F)F)ccc1OCCN1CCCCC1,MSLWHWWCCPJKAM-UHFFFAOYSA-N
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-rxn:4:183836:225366,CCN(C(=O)COc1ccc(-c2ccc(C(C)(F)F)cc2C(F)(F)F)cc1)C1CCS(=O)(=O)C1,XNZXLUIDZGFHMH-UHFFFAOYSA-N
-rxn:4:183871:223699,CC(C)(C)OC(=O)N1CC(COc2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)c2)C1,HUPUZENMBGYNFJ-UHFFFAOYSA-N
-rxn:4:183885:226844,O=C(c1cc(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,BXYZHTKCXONYSM-UHFFFAOYSA-N
-rxn:4:183892:225300,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2ccc(OC3CCOCC3)nc2F)c1,BTBXJTFHWUOYRN-UHFFFAOYSA-N
-rxn:4:183903:222573,CC(C)(C)OC(=O)Oc1cc(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)cnc1C#C[Si](C)(C)C,JOYMJCJCOORQHF-UHFFFAOYSA-N
-rxn:4:183916:224008,COc1ccc(CN(C2CC2)S(=O)(=O)c2cccc(-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)c2)cc1,WUFIFAYZSNAZIJ-UHFFFAOYSA-N
-rxn:4:183919:223559,CSc1ccc(Oc2ncc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc2C(=O)OC(C)(C)C)cc1,UETPZXNZZHEBFE-UHFFFAOYSA-N
-rxn:4:183928:223880,Cc1ccc2c(c1)cc(-c1ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc1)n2C(=O)OC(C)(C)C,SXHWKQSHWBYDMP-UHFFFAOYSA-N
-rxn:4:183932:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)c(C)c2)cc1,DBAULLXGZNAWEU-UHFFFAOYSA-N
-rxn:4:183944:222911,COC(=O)c1cc(NC(C)=O)cc(-c2cccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)c2)c1,PWELQAKHOZBRNO-UHFFFAOYSA-N
-rxn:4:183980:224073,CCOc1cc(C=C2N=C(c3ccc(-c4cccc5cc([Si](CC)(CC)CC)sc45)cc3)OC2=O)ccc1OC(C)=O,ZFTDZVJYJDFVQR-UHFFFAOYSA-N
-rxn:4:183983:224156,Cc1ccc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C(C)C,ROIACNSXKRTENS-UHFFFAOYSA-N
-rxn:4:184012:223840,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1,NWNSKALRURNUME-UHFFFAOYSA-N
-rxn:4:184021:222904,CC(C)(C)OC(=O)Nc1ccc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CCOCC2)cn1,WIWYRNAVNIINNA-UHFFFAOYSA-N
-rxn:4:184053:223022,COCCNC(=O)c1ccc(-c2cc(CN(C)C(=O)OC(C)(C)C)cc(C(C)(C)C)c2)cc1,MCDVXVYUIDFWRN-UHFFFAOYSA-N
-rxn:4:184054:227743,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)cc2)CC1,SOOBGKUEAQBQFY-UHFFFAOYSA-N
-rxn:4:184071:222903,COCCNC(=O)c1ccc(-c2cccc(S(=O)(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,XNMIADHYENINAE-UHFFFAOYSA-N
-rxn:4:184093:222877,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccc(C(=O)NC(C)(C)C)c(Cl)c3)cc2)C2CCS(=O)(=O)C2)cc1,WJQWIXLFDQREFC-UHFFFAOYSA-N
-rxn:4:184096:223279,CC1(C)CCC(N(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2)C(=O)OC(C)(C)C)CC1,FYUWGJYUWFBOHE-UHFFFAOYSA-N
-rxn:4:184096:225886,CC1(C)CCC(N(Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2)C(=O)OC(C)(C)C)CC1,SVIVWEIBHLIKBV-UHFFFAOYSA-N
-rxn:4:184096:226232,CN(C)CCOc1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,MPCPDZFPNPSOGO-UHFFFAOYSA-N
-rxn:4:184099:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1F,MREFHNRTLYPBMG-UHFFFAOYSA-N
-rxn:4:184099:227286,CC(c1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,KNHYPOAIMWTSEZ-UHFFFAOYSA-N
-rxn:4:184099:227522,COC(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c(C)n1,NVZJZOSGZZLALU-UHFFFAOYSA-N
-rxn:4:184099:227996,CC(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c(C)c1,HLQKJRCJENZLQR-UHFFFAOYSA-N
-rxn:4:184099:228918,CC(c1ccc(-c2cnccc2C(F)F)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,VTHIDBADTPMAPH-UHFFFAOYSA-N
-rxn:4:184134:224265,CCOC(=O)c1c(-c2cc(C3CCCCC3)cc(C(F)(F)F)c2)c2ccccc2n1C(=O)OC(C)(C)C,TUSWITAISVOKKU-UHFFFAOYSA-N
-rxn:4:184167:225747,Cc1ccc(-c2ccc3cc(CN(C(=O)OC(C)(C)C)C4CC4)ccc3c2)n1C(=O)OC(C)(C)C,DOAFCVAKDRFSEC-UHFFFAOYSA-N
-rxn:4:184188:224078,CC(C)(C)OC(=O)N(Cc1ccc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)c2ccccc12)C1CCC1,IEUVKUARIHMXKR-UHFFFAOYSA-N
-rxn:4:184207:222518,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(-c4ccc(F)c5sc(NC(=O)OC(C)(C)C)nc45)cc3)cc12,GWXTUKJKVYHMPK-UHFFFAOYSA-N
-rxn:4:184219:223074,CC(C)(C)OC(=O)n1c(-c2cccc(NS(=O)(=O)C3CC3)c2)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21,LCCOAYRFJALFND-UHFFFAOYSA-N
-rxn:4:184271:224256,CC1CCCCN1C(=O)c1cc(-c2ccc(C#N)cc2OCC(F)(F)C(F)(F)F)ccc1Cl,AXDCEWFYNSZJOK-UHFFFAOYSA-N
-rxn:4:184311:224015,Cc1cc(F)c(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1,RHUSIJPGKSYHPI-UHFFFAOYSA-N
-rxn:4:184312:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1cccc([N+](=O)[O-])c1OC(C(F)(F)F)C(F)(F)F,AFYPQMPXHVIASU-UHFFFAOYSA-N
-rxn:4:184423:223958,CCOC(=O)c1cc(C#N)c(-c2ccc(C(=O)N3CCN(CC)CC3)c(F)c2)cc1C(F)F,FGWKPRVXEKJRBE-UHFFFAOYSA-N
-rxn:4:184474:224415,CCOC(=O)c1cc(C(F)(F)F)c(C#N)cc1-c1ccnc(C(F)(F)C(F)(F)C(F)(F)F)c1,HBUUYKWVKRXBJI-UHFFFAOYSA-N
-rxn:4:184484:224161,CCOC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c(C#N)c(C(F)(F)F)c1,LTZADAUWZWMOOA-UHFFFAOYSA-N
-rxn:4:184539:223541,COC(=O)Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c(OC)c1C#N,YFQGEJZSZUSGMX-UHFFFAOYSA-N
-rxn:4:184549:223832,COC(=O)Cc1c(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)ccc(OC)c1C#N,JOXVXQIHBKVCCP-UHFFFAOYSA-N
-rxn:4:184685:224492,CN(C)C(=O)Cc1ccc(-c2ccc(CCC(=O)N3CCCC3)cc2)cc1OC(F)(F)F,HSDFVTKXKSXAAW-UHFFFAOYSA-N
-rxn:4:184693:223077,CC(C)(C#N)S(=O)(=O)c1cc(OC(F)(F)F)cc(-c2ccc(S(=O)(=O)NC3CC3)cc2)c1,UGJPOWMULDWYQZ-UHFFFAOYSA-N
-rxn:4:184693:223891,CC(C)(C)[Si](C)(C)n1ccc2c(-c3cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c3)c(F)ccc21,QDPNLHUAYCQIEO-UHFFFAOYSA-N
-rxn:4:184693:225303,CC(C)(C)c1cc(-c2cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c2)cc(C(F)(F)F)n1,JFRYMEZMEMMHPJ-UHFFFAOYSA-N
-rxn:4:184884:222913,CC(C)(C)S(=O)/N=C/c1ccc(OC(F)(F)F)cc1-c1ccc(CNS(=O)(=O)C2CC2)cc1,ZLMSIWLANKAPSW-VULFUBBASA-N
-rxn:4:184886:225775,COC(=O)c1cc(-c2ccc(C(=O)N3CCCC3)cc2OCC(F)(F)F)cc(OC)c1C,POKQIUBOSCNEIQ-UHFFFAOYSA-N
-rxn:4:184936:222704,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3CCNCC3)c(C(F)(F)F)c2)c1,HHGNVVFOZKBXJE-UHFFFAOYSA-N
-rxn:4:184953:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2c(F)cccc2CN(C)C(=O)OC(C)(C)C)c1,SEQMKJWTRLTBSW-UHFFFAOYSA-N
-rxn:4:185049:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(OCCN3CCCC(C(F)(F)F)C3)cc2)cc1,KEDKETNBEMSZBM-UHFFFAOYSA-N
-rxn:4:185091:224621,Cc1ccc(-c2ccc(OCCN3CCSCC3)cc2)cc1OCCCN1CCOCC1,GMKQEFFVAKRMQQ-UHFFFAOYSA-N
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-rxn:4:187341:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(C(=O)c4cccc(CN5CC=CC5)c4)c(F)c3)c2)CC1,HQSDVZNQJGSQIT-UHFFFAOYSA-N
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-rxn:4:189720:224606,CCCOc1cc(-c2cc(OC(F)(F)F)cc(N3CCOCC3)c2)cc(Cl)c1OC(C)C,UURFBYRAPKLYDH-UHFFFAOYSA-N
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-rxn:4:189888:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)c(C(F)(F)F)c2)cc1,JIJNIMOBFOJDAH-UHFFFAOYSA-N
-rxn:4:189919:222584,O=[N+]([O-])c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1SC1CCCCC1,KKMBLOVNRNWOQB-UHFFFAOYSA-N
-rxn:4:189933:223902,COc1cc(-c2ccc(OCCN3CCC(C)CC3)c(F)c2)ccc1C(=O)N1CCSCC1,IOPKRJPJIVRSFK-UHFFFAOYSA-N
-rxn:4:189984:222545,C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1,QWCUHFLSRNTZNX-HDBVRILRSA-N
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-rxn:4:190163:223728,CCCCCC1CCC(c2ccc(-c3ccc(S(=O)(=O)N4CCCC(C(F)(F)F)C4)cc3)c(F)c2)CC1,ZMJRXTVPJVMJFP-UHFFFAOYSA-N
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-rxn:4:190180:223105,CNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)c(F)cc1C,DPNPAPIETSDPAF-UHFFFAOYSA-N
-rxn:4:190192:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2CCCN2CC2CC2)cc1,MKEMOJJXEXBYRE-UHFFFAOYSA-N
-rxn:4:190193:223993,Cc1cc(-c2ccc(C3(CN4CCCC4)CC3)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,GBKDRTBITXCFAZ-UHFFFAOYSA-N
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-rxn:4:190257:222718,COc1ccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)cc1OC1CCN(C)CC1,QWMUAUBYVJECOP-UHFFFAOYSA-N
-rxn:4:190258:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cc(CN3CCOC[C@H]3C)ccc2OC)c1,LHPHIKZYZBLTMK-LJQANCHMSA-N
-rxn:4:190304:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(CCN3CCC(C)CC3)cc2)c1,CJROLYQGSPDHMI-UHFFFAOYSA-N
-rxn:4:190322:222822,CCS(=O)(=O)N1CCC(c2ccc(-c3cc(S(=O)(=O)NC4CC4)c(C)cc3F)cc2)CC1,KBJNYUNZZFJBAR-UHFFFAOYSA-N
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-rxn:4:190435:222514,COc1ccc(-c2ccc(C(=O)N3CCC(c4ccccc4)S(=O)(=O)CC3)o2)cc1S(=O)(=O)NC1CCCCC1,JMGKFGKRQUXYOB-UHFFFAOYSA-N
-rxn:4:190449:222451,COc1ccc(CNS(=O)(=O)c2ccc(-c3ccc(C4CCCN4C(=O)C4CCOCC4)cc3)cc2)cc1,VOESUNGXOYEKHA-UHFFFAOYSA-N
-rxn:4:190472:223077,CCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1-c1ccc(S(=O)(=O)NC2CC2)cc1,MBYDUSDDPMMJJC-UHFFFAOYSA-N
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-rxn:4:190865:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)cc1,GFTUNAWRHDXRKL-INIZCTEOSA-N
-rxn:4:190865:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)cc1F,FGTVDDGAIONETA-UHFFFAOYSA-N
-rxn:4:190926:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3=O)c1,PPTVLMJZAUVAFG-UHFFFAOYSA-N
-rxn:4:190929:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3=O)ccc1F,LMJNIEHMTIRUEI-UHFFFAOYSA-N
-rxn:4:190956:222758,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)ccc1NC(=O)OC(C)(C)C,IYFROIRMMIJFDP-UHFFFAOYSA-N
-rxn:4:190972:224999,CC(c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)cc1)N1CCOCC1,OMXMGUTVYAJOEV-UHFFFAOYSA-N
-rxn:4:190976:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)c1,BZLAXKFOPKSAAN-UHFFFAOYSA-N
-rxn:4:190978:224489,CC(C)N(Cc1ccc(F)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCS2(=O)=O)C(C)C,AGEHECWFUWUDCG-UHFFFAOYSA-N
-rxn:4:191006:225805,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)cc1,OPHDIKDFBQYABX-UHFFFAOYSA-N
-rxn:4:191006:226583,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(CN3CCOCC3)s2)cc1,WHZCHBCSFVLFHU-UHFFFAOYSA-N
-rxn:4:191008:222581,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)c2ccccc12,GPRGIXDFYQWEBW-UHFFFAOYSA-N
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-rxn:4:191031:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cc1,FRBMTBIMAUCNCG-UHFFFAOYSA-N
-rxn:4:191032:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)cc1,IZBKAGBHDDAOTL-UHFFFAOYSA-N
-rxn:4:191032:225351,COC(=O)c1c(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)cccc1C(F)(F)F,BTGHIAQGMXXKJN-UHFFFAOYSA-N
-rxn:4:191062:222986,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(C2CCCNC2)n1,NOCKYVANBOURBY-UHFFFAOYSA-N
-rxn:4:191062:227207,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cccc2c1OCCC2=O,FBGDHIITHRYWJJ-UHFFFAOYSA-N
-rxn:4:191067:224493,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cc(C3SCCN3S(=O)(=O)c3ccc4c(c3)CCO4)ccc2F)cc1,UOAGHIZVRKYSCX-UHFFFAOYSA-N
-rxn:4:191070:224485,COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)n(C)c2c1,UCZNDDRSCCANCQ-UHFFFAOYSA-N
-rxn:4:191088:222972,CC(C)(C)OC(=O)N1CCC(C)(C)c2cc(-c3ccccc3NC(=O)C(C)(C)C)ccc21,NYMDQSBNJDIFQT-UHFFFAOYSA-N
-rxn:4:191089:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)s1,IGPIMZWTIPSRDZ-UHFFFAOYSA-N
-rxn:4:191097:225528,CCN(CC)C(=O)c1ccccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,SXJYDNCDGRSOLM-UHFFFAOYSA-N
-rxn:4:191100:226230,COCCOCc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)C32CCOCC2)cc1,BGLPKXYWUZWCAM-UHFFFAOYSA-N
-rxn:4:191103:227256,CCOc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1,PNVNDYCIKHMSNE-UHFFFAOYSA-N
-rxn:4:191117:225432,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(-c3cccc(COC4CCCC4)c3)c12,OOCDNJRZHHZDAS-UHFFFAOYSA-N
-rxn:4:191124:224486,CC(C)N(C(=O)c1cccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1)C(C)C,HDHUDNYFAWPWNA-UHFFFAOYSA-N
-rxn:4:191124:227567,COc1cc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc(Cl)c1OC,DKGQNABBHABYBI-UHFFFAOYSA-N
-rxn:4:191124:227580,COc1cc(Cl)c(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1OC,ZMPGABZSIVBLAQ-UHFFFAOYSA-N
-rxn:4:191125:226308,CCc1cc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)OC,OUKOMFVOCHPYEH-UHFFFAOYSA-N
-rxn:4:191150:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc4c(c3)C3CCC4N3C(=O)OC(C)(C)C)cnc21,GCXYAYGKSBTVFL-UHFFFAOYSA-N
-rxn:4:191189:224179,COc1ccc2c(c1)C1CC(C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(-c2ccc(OCCN3CCN(C)CC3)cc2)cc1,SEHBHRTUNVBUSO-UHFFFAOYSA-N
-rxn:4:191195:228253,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(P(C)(C)=O)cc1)c1c2CCC1,FZYNHEJPPWHZJJ-UHFFFAOYSA-N
-rxn:4:191195:228266,CSc1c(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)ccc(C)c1Cl,ABZKDSZEZQHBSE-UHFFFAOYSA-N
-rxn:4:191195:228530,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc3c(c1)OCC3)c1c2CCC1,PGMXUPBJZDRRQX-UHFFFAOYSA-N
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-rxn:4:204026:224306,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2ccc(C(F)(F)F)cc2OC2CCCC2)CC1,MYCINTMIFPSRLI-UHFFFAOYSA-N
-rxn:4:204028:224488,CC(C)N(C(=O)c1ccc(-c2cccc(CN3CCN(S(C)(=O)=O)C[C@@H]3C)c2)cc1)C(C)C,SJPMGWGINAFPEQ-NRFANRHFSA-N
-rxn:4:204075:225213,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(N4CCN(C)CC4)cc3Cl)cc2C)CC1,GJDSABAMPCDSBO-UHFFFAOYSA-N
-rxn:4:204097:224458,CC1CCN(C(C)c2ccc(-c3ccccc3C(C)N3CCN(C(C)C)CC3)cc2)CC1,BEIXYJNQGCFXIH-UHFFFAOYSA-N
-rxn:4:204099:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCOCC4)c(N4CCOCC4)c3)s2)CC1,GSCXJVLNRGZKQM-UHFFFAOYSA-N
-rxn:4:204112:222869,CC(C)CNC(=O)c1cc(-c2ccc(CN3CCCC3)c(N3CCCCC3)c2)ccc1F,BSHOTXDNNVOXMX-UHFFFAOYSA-N
-rxn:4:204112:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1ccc(CN2CCCC2)c(N2CCCCC2)c1,GDUHRWPMYLNKEF-UHFFFAOYSA-N
-rxn:4:204131:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)cc1,IDDUOKPUSJDQKI-UHFFFAOYSA-N
-rxn:4:204137:224289,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCOCC3)c2)c(F)c1,ODCPYEBBICGFIV-UHFFFAOYSA-N
-rxn:4:204150:226222,CCCCCOc1ccc(-c2cccc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)cn1,RCOFBXXNNJYAAE-UHFFFAOYSA-N
-rxn:4:204155:223985,COc1ccc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c(C)cc2C)cc1S(=O)(=O)N1CCCCC1,DFNULECFEBCZFL-UHFFFAOYSA-N
-rxn:4:204167:226506,CC1CCCN(Cc2ccc(-c3cc(OCC4CC4)ncc3F)cc2N2CCOCC2)C1,BXPIBCONFSEDEK-UHFFFAOYSA-N
-rxn:4:204170:223170,CC1CCCCN1Cc1ccc(-c2cnc(C3CCCNC3)nc2)cc1N1CCCCC1,YCQXJEGSSYWDNE-UHFFFAOYSA-N
-rxn:4:204184:223124,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1cccc(C(=O)NC(C)C)c1,WAUBVKWIZPVQAP-UHFFFAOYSA-N
-rxn:4:204245:223541,CCOC(=O)c1ncn2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,IJZLALYETRVWKK-UHFFFAOYSA-N
-rxn:4:204444:223588,Cc1cc(-c2ccc3cnn(C(=O)OC(C)(C)C)c3c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,VTKLVXQDJLRTFR-UHFFFAOYSA-N
-rxn:4:204509:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1,DEZUZWCUTYIEMQ-HNNXBMFYSA-N
-rxn:4:204509:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1,VPLOITBJRWLSAK-UHFFFAOYSA-N
-rxn:4:204596:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1,ZVPOGYGTOXLSNA-UHFFFAOYSA-N
-rxn:4:204643:224022,CSC1CC2CCC(C1)N2C(=O)c1cncc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1,OSHRHDGONBELCT-UHFFFAOYSA-N
-rxn:4:204648:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C(=O)N2CC(N3CCc4sccc4C3)C2)o1,YLXPSXDMLRPDIP-UHFFFAOYSA-N
-rxn:4:204695:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cccc(C4C(C(=O)OC)=C(C)N=C5SC(C)C(=O)N54)c3)cc2)cc1,STAXRLFGMHLWNN-UHFFFAOYSA-N
-rxn:4:204779:224060,COc1c(C(C)(C)C)cc(-c2ccc(CN3C(=O)N(c4cc(F)ccc4F)S(=O)(=O)c4ccccc43)cc2)cc1C(C)(C)C,SDHXSKFKOPKWBE-UHFFFAOYSA-N
-rxn:4:204787:224491,CC(C)N(Cc1cc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccccc43)cc2)ccc1F)C(C)C,FDDZTEZKRIDARH-UHFFFAOYSA-N
-rxn:4:204823:224307,Cc1ccc(N2C(=O)N(Cc3ccc(-c4c(F)cc(O[Si](C)(C)C(C)(C)C)cc4F)cc3)c3ccccc3S2(=O)=O)cc1F,UPOCRAARNLMZFQ-UHFFFAOYSA-N
-rxn:4:204834:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccc(Cl)cc54)c3)c2Cl)CC1,FITBHKRLEWCQMV-UHFFFAOYSA-N
-rxn:4:204910:223540,COc1cccc(C2c3c(oc4ccc(-c5cc(S(=O)(=O)N6CCC7(CC6)OCCO7)ccc5OC)cc4c3=O)C(=O)N2c2nccs2)c1,FXQWLNJNGXWNPN-UHFFFAOYSA-N
-rxn:4:204915:224769,CCC1Oc2c(OC)cc(-c3ccc(N4CCCC4)cc3C(F)(F)F)cc2C2CC(c3ccc(Cl)cc3)=NN12,GNELNBBFFIKGPC-UHFFFAOYSA-N
-rxn:4:204952:223873,CC1CCN(C(=O)CCc2ccccc2-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)(C)C)cc2)N(c2nccs2)C4=O)CC1,SUMQZVSOJQYKKQ-UHFFFAOYSA-N
-rxn:4:205041:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C#N)c([N+](=O)[O-])cc3Cl)c(F)c2)CC1,WJWVRJMPDYYIGL-UHFFFAOYSA-N
-rxn:4:205148:223504,CCn1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1C#N,DVDIGQHMNXUBCE-UHFFFAOYSA-N
-rxn:4:205361:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnn(C3(C(F)(F)F)CC3)c2)c(F)c(C(F)(F)F)c1,FXXTYGODKZWZKY-UHFFFAOYSA-N
-rxn:4:206504:223606,O=S(=O)(c1ccc(-c2cnc(OC3CCCCC3)nc2Cl)cc1F)N1CCC2(CC1)OCCO2,HGDOFCIOHWEYOV-UHFFFAOYSA-N
-rxn:4:206704:222598,Cc1cc(-c2cc(S(N)(=O)=O)ccc2N2CCCC2)cc(C)c1S(=O)(=O)NC1CCCC1,DSOSYFLNBNZENQ-UHFFFAOYSA-N
-rxn:4:206716:223602,Cc1nc(C(=O)N2CCOCC2)ccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,SBYVTQJVTFOQCY-UHFFFAOYSA-N
-rxn:4:206814:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3ccc(N4C(=O)CC(=O)N(C5CC5)C4=O)cc3)cc2)CC1,NOSZDDUVDSOZOZ-UHFFFAOYSA-N
-rxn:4:206944:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)cn1,AOGIYMPSPSMJKJ-UHFFFAOYSA-N
-rxn:4:206962:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4CCCN(S(C)(=O)=O)C4)nc3)c(F)ccc21,HUJOGDLULZDLPH-UHFFFAOYSA-N
-rxn:4:207080:224746,CC(=O)N1CCN(c2ccc(-c3cncc(C(=O)N4CCC5(CC4)OCCCO5)c3)cn2)CC1,NYJWRTYTTTZIHT-UHFFFAOYSA-N
-rxn:4:207081:225172,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3cc(CN4CCOCC4)ccc3F)c1)C2,XIUUHYZYFVAYTE-UHFFFAOYSA-N
-rxn:4:207462:223838,CCn1ncc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1C12CSCCC1O2,GLGVMTCHIGMDPA-UHFFFAOYSA-N
-rxn:4:207685:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(C(F)(F)F)c4ncn(C5CCCCO5)c4c3)c(F)ccc21,MPGQSFNXQPFWTP-UHFFFAOYSA-N
-rxn:4:207779:222606,CC(C)(C)NC(=O)c1c(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cccc1C(F)(F)F,ZPNARXYQDPQQFA-UHFFFAOYSA-N
-rxn:4:207829:222772,O=C(NC1CCCC1)c1cc(-c2ccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)cc2)ccc1Cl,YTKJJLLCDMWAED-UHFFFAOYSA-N
-rxn:4:207830:224732,CN1C(=O)C(=C2SC(=O)N(Cc3ccccc3)C2=O)c2cc(-c3ccc(S(=O)(=O)OCC(C)(C)C)cc3)ccc21,PGJQZNITQRWMGO-UHFFFAOYSA-N
-rxn:4:207849:223971,Cc1ccccc1N1C(=O)N(c2cccc(-c3cc(N4CCC(C)CC4)cc(C(F)(F)F)c3)c2)C2CS(=O)(=O)CC21,FIJAZYYPCMFAHX-UHFFFAOYSA-N
-rxn:4:207890:224489,Cc1c(-c2cc(F)ccc2CN(C(C)C)C(C)C)cnn1CC12CC3CC(CC(C3)C1)C2,IZMSGJYMTSZGEH-UHFFFAOYSA-N
-rxn:4:207929:223497,Cc1cccc(N2C(=O)c3oc4ccc(-c5ccc(C(C)N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5)cc4c(=O)c3C2c2cccc(Cl)c2)n1,WDPBXVANLGXKQJ-UHFFFAOYSA-N
-rxn:4:207959:226064,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCCC5)cc4)ccc2OC3C2CCCCC2)cc1,FLTHIHDQXMKVRX-UHFFFAOYSA-N
-rxn:4:207960:225425,CCCCCOc1ccc(C)cc1-c1cccc(C=c2sc3n(c2=O)C(c2ccccc2)C2=C(CC(C)(C)CC2=O)N=3)c1,IFMMMKWSIAGLSL-UHFFFAOYSA-N
-rxn:4:209608:223698,Cc1nc(N2CCOCC2)sc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCCC2)c1,CLJKYXCRNQKHPT-UHFFFAOYSA-N
-rxn:4:209639:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(N2CCOCC2)c(F)c1,NRLVUCHJJWRYFZ-UHFFFAOYSA-N
-rxn:4:210283:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc4ccc(C(F)(F)F)cc4n3)c(F)c2)CC1,DJJKWLNXKQDZST-UHFFFAOYSA-N
-rxn:4:212183:223491,Cc1nc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)n2c1CCC2,GGPUUGODMANBIB-UHFFFAOYSA-N
-rxn:4:212534:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(-c2cnc(SCC#N)n2-c2cccc(C(F)(F)F)c2)cc1,NGPJPMLYILBENN-UHFFFAOYSA-N
-rxn:4:212542:224274,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc4cnccc4n3C(=O)OC(C)(C)C)cn2)C1,DSLLFVRXVQVFDC-UHFFFAOYSA-N
-rxn:4:212595:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(C(=S)N3CCN(CCC#N)CC3)o2)cc1,YQIDFJFXOBTYCY-UHFFFAOYSA-N
-rxn:4:212608:223906,COc1ccc(CSc2ccc(-c3cnc(OC4CCCN(C(=O)C(C)(C)OC(C)=O)C4)nc3)cc2F)cc1,JGUGBWVQCDCBSI-UHFFFAOYSA-N
-rxn:4:212609:224120,Cc1cc(-c2nccn2CC2CCN(C(=O)OCc3ccccc3)CC2)ccc1CO[Si](C)(C)C(C)(C)C,SIJCVMABBHUEDD-UHFFFAOYSA-N
-rxn:4:212619:222961,CCCCNC(=O)c1cccc(-c2cnc(OCC3CCCN(C(=O)OC(C)(C)C)C3)nc2)c1,KJZHNSKKQMSEAQ-UHFFFAOYSA-N
-rxn:4:212623:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2cc(F)ccc2CC(=O)N2CCCC(COc3ncccn3)C2)c1,QIPPXWMKBBXMGF-UHFFFAOYSA-N
-rxn:4:212631:225055,CC1CCCN(c2ccc(-c3cncc(C(=O)N4CCC(COc5ncccc5C(F)(F)F)CC4)c3)c(Cl)c2)C1,MHLKIKOOTARPML-UHFFFAOYSA-N
-rxn:4:212635:225179,Cn1ncc(-c2cccc(Cl)c2CN2CCOCC2)c1CN(C(=O)OC(C)(C)C)C1CCCC1,RVTSDNHAHGSVKN-UHFFFAOYSA-N
-rxn:4:212635:226537,CCOC(=O)c1ccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCCC2)cc1Cl,HUJVCJOKPVQNTC-UHFFFAOYSA-N
-rxn:4:212665:223075,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(NS(=O)(=O)C4CC4)cc3)cn2)C1,BFIZESJREATXJM-UHFFFAOYSA-N
-rxn:4:212665:223985,COc1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccccc4OC)C3)nc2)cc1S(=O)(=O)N1CCCCC1,PQIGSDVEZAHNFU-UHFFFAOYSA-N
-rxn:4:212666:224867,COc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(OCC5CCCCC5)cc4)cn3)CC2)cc1,PBCUXJIKHYNOJO-UHFFFAOYSA-N
-rxn:4:212666:224868,COc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cccc(OCC5CCCCC5)c4)cn3)CC2)cc1,OVYIPXLEHRPASU-UHFFFAOYSA-N
-rxn:4:212667:224867,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(OCC5CCCCC5)cc4)cn3)C2)cc1,NNHQJAHJDLNCQO-UHFFFAOYSA-N
-rxn:4:212667:224868,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(OCC5CCCCC5)c4)cn3)C2)cc1,IAKNNYKZMVUGOY-UHFFFAOYSA-N
-rxn:4:212693:222748,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2cccc(C(=O)NCC3CCCO3)c2)c1,DMIAFTMNKAGSQB-UHFFFAOYSA-N
-rxn:4:212694:227007,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3cccc(COC(C)C)c3)CC2)C1=O,BEBJEEFGLYTKKB-UHFFFAOYSA-N
-rxn:4:212709:225336,CCOC(=O)c1c(-c2ccc(COCC(F)(F)F)cc2F)c(CN2CCC(=Cc3ccccc3)CC2)nn1C,HXHOROUUGUUJCI-UHFFFAOYSA-N
-rxn:4:212716:222520,CC(C)(C)OC(=O)Nc1cc(-c2ccc(-c3cnc(SCC(=O)N4CCCCC4)n3-c3ccc(Cl)cc3)cc2)ccc1C(F)(F)F,IEMHIYCEZMAOJJ-UHFFFAOYSA-N
-rxn:4:212717:223681,CC(C)(C)OC(=O)n1c(-c2ccc(-c3cnc(SCC(=O)N4CCCCC4)n3-c3ccc(F)cc3)cc2)cc2cc([N+](=O)[O-])ccc21,NLCOMTWBAJLRNT-UHFFFAOYSA-N
-rxn:4:212718:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C4=NN(C(=O)c5ccncc5)C(c5cccc(OC)c5OC)C4)cc3)c2)CC1,YEPVPFOZTKBIPN-UHFFFAOYSA-N
-rxn:4:212725:222466,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)CC2)nn1,UJEDVMDHQVDAHY-UHFFFAOYSA-N
-rxn:4:212771:222947,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(N4CCCC(O)C4)nc3Cl)cc2s1,VPGBUDWDXIENJR-UHFFFAOYSA-N
-rxn:4:212780:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)N=c4sc5cc(S(N)(=O)=O)ccc5n4CC(=O)OC)cc3)ccc2F)CC1,CVYVBCCKWMCOHO-UHFFFAOYSA-N
-rxn:4:212784:226659,CCOC(=O)N1CCN(C(=O)Cn2ccc3cc(-c4cnc(N5CCCC5)c(Cl)c4)ccc32)CC1,DZQCTXUIHCSYCU-UHFFFAOYSA-N
-rxn:4:212814:223309,CC(C)Nc1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,UBDQJGMOKMJTEI-UHFFFAOYSA-N
-rxn:4:212814:227065,CC(C)C(=O)c1cccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)c1,HFQQORCGPCYESW-UHFFFAOYSA-N
-rxn:4:212827:224529,CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc3cc(-c4ccc(COc5ccc(Cl)cc5)cc4)ccc3[nH]2)CC1,LGALVYWWQWPKDV-UHFFFAOYSA-N
-rxn:4:212828:226419,COc1ccc(-c2ccc(N3CCCC3)cc2Cl)c(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)c1,OSPXYTNTGWJRMJ-UHFFFAOYSA-N
-rxn:4:212902:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cn(C)nc2CN(C)C(=O)OC(C)(C)C)cc1,LWMDGKRNIPFBTG-INIZCTEOSA-N
-rxn:4:213010:222546,CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,YMMXRKUEZFSVHL-QHCPKHFHSA-N
-rxn:4:213037:222896,CC(C)CCN1CCC(Oc2ncc(-c3ccc(CNC(=O)OC(C)(C)C)s3)cn2)CC1,XFZGHVLNMWJODD-UHFFFAOYSA-N
-rxn:4:213038:222876,CC(C)(C)NC(=O)c1ccc(-c2c[nH]c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,IEVYLMGCMXLZHJ-UHFFFAOYSA-N
-rxn:4:213042:225374,COc1cc(OC(F)(F)F)cc(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)cn2)c1F,CZDMHYNWNPGENN-UHFFFAOYSA-N
-rxn:4:213044:222723,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,RDYOBTIZYBEXTB-UHFFFAOYSA-N
-rxn:4:213070:224593,CC1CCN(Cc2cc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2F)CC1,BRTJOQXCCSVGEJ-UHFFFAOYSA-N
-rxn:4:213075:223166,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(N4CCNCC4)nc3)n2)CC1,AQCMUJLUYAUKJM-UHFFFAOYSA-N
-rxn:4:213077:228344,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(SC(F)F)cc3)c(C(F)F)n2)CC1,SRNCILZSRQTJDB-UHFFFAOYSA-N
-rxn:4:213127:225875,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(N4CCOCC4)cc3Cl)ccn2)CC1,SEBPKNCLCZDWEP-UHFFFAOYSA-N
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-rxn:4:213132:226554,CCCOc1cc(F)c(-c2cnc(OCC3CCCN(C(=O)C(C)(C)C)C3)nc2)cc1F,ROPLCXMRQVQHHL-UHFFFAOYSA-N
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-rxn:4:213661:224485,CCOC(=O)C1CCN(c2ncc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cn2)CC1,FARPNELHUVZTCD-UHFFFAOYSA-N
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-rxn:4:213801:223036,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(NC(=O)C(C)(C)C)nc3)n2)C1,GMOAUKRZQAHYIN-UHFFFAOYSA-N
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-rxn:4:213824:223812,O=C(c1ccccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1)N1CCCC(Oc2ncc(Cl)cn2)C1,AHQSSWMIYLZLCQ-UHFFFAOYSA-N
-rxn:4:213863:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)ccc2C)CC1,NKQAKHILJIPDRV-UHFFFAOYSA-N
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-rxn:4:213872:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)c2)C1,DJQSBIHYGANESO-UHFFFAOYSA-N
-rxn:4:213893:224192,CCN1CCN(Cc2ccc(F)cc2-c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,OKUMTWGRRPFZMA-UHFFFAOYSA-N
-rxn:4:213906:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(Cn4cccn4)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,SJHHCAYKNRIWTI-UHFFFAOYSA-N
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-rxn:4:213932:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C(F)(F)F)c1,JUFCMUVEWHCKPK-UHFFFAOYSA-N
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-rxn:4:213942:226223,CCOCCOc1ccccc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C,NBDVVMISDHKIHK-UHFFFAOYSA-N
-rxn:4:213970:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc1,BOLNXQQDESKWDF-UHFFFAOYSA-N
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-rxn:4:214001:224180,CC1CN(c2ncc(-c3ccccc3OCCN3CCN(C)CC3)cc2F)CCN1C(=O)OC(C)(C)C,JXQVOACAHGQBTR-UHFFFAOYSA-N
-rxn:4:214015:227258,CCCOc1ccc(-c2ccc(CN3CCC(C#N)CC3)c(N3CCOCC3)c2)c(F)c1,QZUORFOQKPFRPA-UHFFFAOYSA-N
-rxn:4:214020:222900,Cc1cc(OC2CCN(C(=O)c3ccccc3-c3csc(CNC(=O)OC(C)(C)C)c3)CC2)nc(C)n1,PCJCNXWHGVMOBK-UHFFFAOYSA-N
-rxn:4:214029:226231,CCCCOc1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)cc1C,QCNFZTZJPHNKIR-UHFFFAOYSA-N
-rxn:4:214033:223241,CC(C)[C@H]1COC(c2cc(-c3cncc(C4CCNC4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,XVEWOPWYULILOV-LQCDLOPMSA-N
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-rxn:4:214054:222986,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cc(C2CCCNC2)n1,TUXFEOHDBQRJAP-UHFFFAOYSA-N
-rxn:4:214074:223170,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(C4CCCNC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,VBIDEZJFJQHVAQ-UHFFFAOYSA-N
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-rxn:4:214255:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncnc(Cl)c23)cc1,VJYQMFDCXPALQF-UHFFFAOYSA-N
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-rxn:4:214712:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CCCN2S(=O)(=O)N(C)C)nc1,RCNGBMVZPPASIU-UHFFFAOYSA-N
-rxn:4:214729:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(N4CCN(CC5CC5)CC4)c3)cc(C(F)(F)F)c2)CC1,VPVRXYKIAKGZDY-UHFFFAOYSA-N
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-rxn:4:214744:224193,CCN1CCN(Cc2cc(-c3ccc(N4CCC(N(C)C)CC4)cc3C#N)ccc2F)CC1,FHSJPWAWEUZOQQ-UHFFFAOYSA-N
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-rxn:4:214746:224194,CCN1CCN(Cc2ccc(-c3ccc(N4CCC(N(C)C)CC4)c(C#N)c3)cc2Cl)CC1,BSJRQBMBCLHQMP-UHFFFAOYSA-N
-rxn:4:214751:222729,CCCc1cc(-c2ccc(C#N)c(N3CCN(C(C)C)CC3)c2)cc(C2CCCNC2)n1,HRBOVURZOYJCOD-UHFFFAOYSA-N
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-rxn:4:214829:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)CC1,HUEZBLGBJRQKJP-UHFFFAOYSA-N
-rxn:4:214835:225093,CCCOc1c(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1OCC,KNQJSMZQFDMQBK-UHFFFAOYSA-N
-rxn:4:214838:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,JPERADGCPIUESX-UHFFFAOYSA-N
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-rxn:4:214872:226981,CCCCCCc1ccsc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,DLIOAGJXSUOGEB-UHFFFAOYSA-N
-rxn:4:214880:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)ccc1Cl,LDEPIQHCTJOEAR-UHFFFAOYSA-N
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-rxn:4:215956:223785,CCN1CCN(CCOc2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2Cl)CC1,GXVYCMHERXHKST-UHFFFAOYSA-N
-rxn:4:215985:226725,CN1CCN(C2CC(=O)N(c3ccc(-c4cccc(OCC(F)(F)F)c4)cc3)C2=O)CC1,HDQTVYBYRNIEHV-UHFFFAOYSA-N
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-rxn:4:217040:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3c[nH]c(N4CCOCC4)n3)cc2F)CC1,VBSSQGZGEXFAGS-UHFFFAOYSA-N
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-rxn:4:218975:224818,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2C#N)CC1,HCAYHVPUWFTUCG-UHFFFAOYSA-N
-rxn:4:218992:222723,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)CC1,FCCAQRXGDZQIAC-UHFFFAOYSA-N
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-rxn:4:218994:224462,Cc1nc(C)c(CN2CCCC(COc3ncc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)C2)s1,RMOTTZOENFXGHA-UHFFFAOYSA-N
-rxn:4:219013:224221,CC1CN(c2c(-c3c(OCc4ccccc4)ccc(F)c3F)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,NDFVFQMWOLQZAY-UHFFFAOYSA-N
-rxn:4:219013:224978,CC1CN(c2c(-c3cc(-n4ccnc4)ccc3C3CC3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,MECFWKUEHVPUPY-UHFFFAOYSA-N
-rxn:4:219042:222653,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1nn(C)cc1-c1ccc(F)c(C(=O)Nc2ccccc2)c1,HDJXCGMOHGAUMU-UHFFFAOYSA-N
-rxn:4:219050:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(-c4csc(N5CCN(c6ccc(C(F)(F)F)cc6[N+](=O)[O-])CC5)n4)cc3)c2F)C1,IMTJZDWHIDXGDF-UHFFFAOYSA-N
-rxn:4:219061:222580,CS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ncc(-c4ccc(S(=O)(=O)NC5CC5)c5ccccc45)cn3)C2)CC1,SWHJXDPCRRJWBO-UHFFFAOYSA-N
-rxn:4:219117:222585,CCOc1ccc(C(=O)Cn2c(-c3ccccc3C(=O)NCCN3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,HYXTZFAMPKAAHV-UHFFFAOYSA-N
-rxn:4:219119:222636,CC(=O)C(C)n1c(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,DRTVJKAEBAPNHF-QNSVNVJESA-N
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-rxn:4:219245:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)n2)c1,BSCJFYYTVOILSW-UHFFFAOYSA-N
-rxn:4:219374:225001,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(CN4CCCC(F)C4)cc3)nn2)CC1,SNUJFBJUALLHHF-UHFFFAOYSA-N
-rxn:4:219402:222924,Cc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1S(=O)(=O)NC(C)C,LMBIEPHJXBWKFR-UHFFFAOYSA-N
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-rxn:4:219438:224254,CC1CCCN(C(=O)c2cc(-c3ccccc3CN3CCN(c4cc(C(F)(F)F)ncn4)CC3)ccc2F)C1,MSIRDMZTYSHOEW-UHFFFAOYSA-N
-rxn:4:219454:223072,CCCNS(=O)(=O)c1ccc(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cc1,AYSDGOGBSBSBPG-UHFFFAOYSA-N
-rxn:4:219474:223753,Cc1ccc(-c2ccc(-c3nnn(C)c3COC3CCCCO3)nc2C)cc1OCCCN1CCN(C)CC1,RSQJURNNTJZFDP-UHFFFAOYSA-N
-rxn:4:219500:222828,N#Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,XJOWVHZFHWNZBO-UHFFFAOYSA-N
-rxn:4:219502:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCC(N(C)c5ccccn5)CC4)c3)cc2)CC1,YVCMRCJCORYVRA-UHFFFAOYSA-N
-rxn:4:219506:222857,COc1cc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)cc(C2CCNCC2)c1,KZLHCDMCGLCKLX-UHFFFAOYSA-N
-rxn:4:219533:228692,CSc1ncc(-c2ccc(CN(C)C)s2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,WWHRXANCISWCEK-UHFFFAOYSA-N
-rxn:4:219534:223812,O=C(c1cncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,RPGSZWRADZZJHW-UHFFFAOYSA-N
-rxn:4:219537:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1S(=O)(=O)N1CCN(c2ccc(C3CC3)nn2)CC1,DXSKBDQSVCRTFF-UHFFFAOYSA-N
-rxn:4:219538:226479,CCCCOc1nccc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)c1Cl,GTNJPELMGPQIMK-UHFFFAOYSA-N
-rxn:4:219565:227656,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(N5CCOCC5)cs4)cc3)CC2)n1,GIRWTPYCKFCIOO-UHFFFAOYSA-N
-rxn:4:219653:223945,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCOCC5)c(F)c4)nc3s2)CC1,VBPGUKMATTYMHC-UHFFFAOYSA-N
-rxn:4:219654:223958,CCN1CCN(C(=O)c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cc2F)CC1,YIDDVKPTPYCWHW-UHFFFAOYSA-N
-rxn:4:219654:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1,FTTLNZQBRRVHJU-UHFFFAOYSA-N
-rxn:4:219657:223588,CC(=O)Cn1c(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)nc2c1c(=O)n(Cc1cccc(C)c1)c(=O)n2C,ZXQPKMISENASAT-UHFFFAOYSA-N
-rxn:4:219661:224719,CC(=O)C(C)n1c(-c2cn(C(=O)OC(C)(C)C)nc2C(C)C)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C,UBFCCGJQUYNFHB-UHFFFAOYSA-N
-rxn:4:219678:225312,CN1CCCN(c2ncc(-c3ccccc3S(=O)(=O)N3CC4CN(c5ccc(C#N)cn5)CC4C3)cn2)CC1,HBYBTYVMWJDVKW-UHFFFAOYSA-N
-rxn:4:219679:222709,CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)c2)cc([N+](=O)[O-])c1,BJCWFPFKZPTFLO-UHFFFAOYSA-N
-rxn:4:219704:224668,CCN1CCN(c2cc(F)cc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)c2)CC1,RLGCEZBDQVQNRZ-UHFFFAOYSA-N
-rxn:4:219704:225294,CCN1CCN(c2ncc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)cn2)CC1,JPKATBMAORQHGH-UHFFFAOYSA-N
-rxn:4:219706:223872,CCN(C(=O)c1cccc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)c1)C1CCCCC1,XPCJLVQQMOUEGL-UHFFFAOYSA-N
-rxn:4:219706:226094,CC(C)CCOc1ccc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)cc1,MPBNDYHLNZVWTL-UHFFFAOYSA-N
-rxn:4:219706:226478,COc1ccc(OCC#N)c(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)c1,RHXOKIWBHGCYOW-UHFFFAOYSA-N
-rxn:4:219717:223898,Cc1ccnc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(N(C(=O)OC(C)(C)C)C(C)C)cc5)cc4)CC3C2)n1,MFNNYLGVDFOUFW-UHFFFAOYSA-N
-rxn:4:219742:225209,Cc1nc(N2CCCCC2C)ncc1-c1cncc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)c1,YBVNJLVFDMYZJG-UHFFFAOYSA-N
-rxn:4:219767:225117,CC(C)CCOc1cc(-c2ccc(CSc3nc(=O)n(N4CCN(C)CC4)c4c3CCC4)cc2)c(F)cc1F,ZYAOJRPPDDCIKM-UHFFFAOYSA-N
-rxn:4:219795:223497,COCCn1nnnc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,PKBHIVHNWUPGRB-UHFFFAOYSA-N
-rxn:4:219908:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(-c4nc(C#N)c(N5CCCN(C)CC5)o4)o3)c2)C1,FPGUHDYYLPCHJD-UHFFFAOYSA-N
-rxn:4:219910:223671,Cn1ccnc(N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)c1=O,OGLQETCZWJDTSQ-UHFFFAOYSA-N
-rxn:4:219934:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c2)CC1,LYVDEKMIXXIYBH-UHFFFAOYSA-N
-rxn:4:219951:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cccc(C(=O)N2CCN(c3nccn3C)CC2)c1,OUZQVOXRBJECNZ-UHFFFAOYSA-N
-rxn:4:219959:224491,CC(C)N(Cc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)ccc1F)C(C)C,WQXDENAMPWAIPL-UHFFFAOYSA-N
-rxn:4:219987:223593,Cc1cncnc1N1CCN(Cc2cccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c2)CC1,WYCIRQMVQJFBQM-UHFFFAOYSA-N
-rxn:4:220091:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4nc(N5CCN(C(=O)c6ccno6)CC5)sc4c3)c2)CC1,PXDJHZBUJAKIPO-UHFFFAOYSA-N
-rxn:4:220124:222709,CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)c(C(=O)N3C4CCC3CC(n3ccnn3)C4)c2)cc([N+](=O)[O-])c1,MNZYTCOSZFJKES-UHFFFAOYSA-N
-rxn:4:220133:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1nccn1)C2,GGGJUHRTDWYNIC-UHFFFAOYSA-N
-rxn:4:220136:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,LHTQAWKGRJFNSW-UHFFFAOYSA-N
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-rxn:4:220204:225004,O=C1CCN(Cc2ccc(-c3ccc4ncnc(N5CCOC(C(=O)N6CCOCC6)C5)c4c3)cc2)CC1,SKJXBQCULZQPCB-UHFFFAOYSA-N
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-rxn:4:220400:224324,CN1CCN(c2cc([N+](=O)[O-])cc(-c3ccc(F)c(C(=O)N4CCC(=O)CC4)c3)n2)CC1,QKTQLNKIBKTMIJ-UHFFFAOYSA-N
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-rxn:4:221121:223299,Cc1cccc2[nH]c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc12,KZCKVXJCGAPQDN-UHFFFAOYSA-N
-rxn:4:221121:228056,Cc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cn2ccnc12,VGBDNCZMHUGBKD-UHFFFAOYSA-N
-rxn:4:221126:226482,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cnc(OCCOC)c(C)c5)cc4)nnn3c3ccsc23)C1,YTQJBOCAJVQGLM-UHFFFAOYSA-N
-rxn:4:221152:223753,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4snnc4C)C3)nc2)cc1OCCCN1CCN(C)CC1,SDASDIANFGSDNC-UHFFFAOYSA-N
-rxn:4:221152:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)c2)CC1,BKVKNUCMEUYZSS-UHFFFAOYSA-N
-rxn:4:221153:222546,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)c1,PVGPELQWEOINOQ-UHFFFAOYSA-N
-rxn:4:221177:223652,COc1ccc(Cl)c2cc(-c3cnc(N4CCC(COc5cc(C6CC6)ncn5)CC4)nc3)n(C(=O)OC(C)(C)C)c12,HAMBDMVZSDDBKK-UHFFFAOYSA-N
-rxn:4:221194:223054,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C(C)N5CCC(O)C5)s4)cn3)CC2)cn1C,FEHLKVDCFQLQKF-UHFFFAOYSA-N
-rxn:4:221209:222876,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(C(=O)NC(C)(C)C)c(F)c4)cc3)CC2)n1,VEUCSOVDABCUJS-UHFFFAOYSA-N
-rxn:4:221348:222546,Fc1cnc(N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)nc1,MZZIUWXGHNRBOP-UHFFFAOYSA-N
-rxn:4:221350:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3ccc(S(=O)(=O)N4CC(c5nc(-c6ncccn6)no5)C4)cc3)c2)CC1,GVSJXODNFMIFFE-UHFFFAOYSA-N
-rxn:4:221363:223533,Cc1ccnc(N2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)n1,SRKPOKBJGLSTCB-UHFFFAOYSA-N
-rxn:4:221368:223753,CCc1cc(N2CCC(Oc3ncc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cn3)CC2)ncn1,CKHWQSLLYFUMOH-UHFFFAOYSA-N
-rxn:4:221380:225098,Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cncc(-c4ccc(OCCN5CCCC5)nc4)c3)CC2)c1=O,SROLYBFDJHYNMT-UHFFFAOYSA-N
-rxn:4:221382:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cncc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,JBYLDXROQIDWNA-UHFFFAOYSA-N
-rxn:4:221432:224607,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(C(=O)OCC[Si](C)(C)C)cc4)c3)CC2)n1,IBHCDGFOKBSNLU-UHFFFAOYSA-N
-rxn:4:221432:225341,CCOc1ccc(OC(F)(F)F)c(-c2cccc(C(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)c2)c1,CWSXRDXGDZOWQP-UHFFFAOYSA-N
-rxn:4:221449:226714,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnn4C(=O)OC(C)(C)C)cc3)CC2)n1,HXOUBFWVYZGFIQ-UHFFFAOYSA-N
-rxn:4:221453:223102,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccsc4S(=O)(=O)NC(C)(C)C)cc3)CC2)n1,UYFXCFBPFWNPMM-UHFFFAOYSA-N
-rxn:4:221456:223279,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,YMQJKCMGOSOPEA-UHFFFAOYSA-N
-rxn:4:221642:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3cnc(N4CCC(N5CC(=O)N(C6CC6)C5=O)CC4)nc3)cc2C)cc1,KKQFMFFGYZQOGV-UHFFFAOYSA-N
-rxn:4:221702:222546,Cn1c(=O)c2c(nc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2CCN2CCOCC2)n(C)c1=O,HDXFKAAGDREEOS-UHFFFAOYSA-N
-rxn:4:221721:223834,Cc1cc(-c2cnc(N3CCC(Cn4cnc5ccccc5c4=O)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,XHAUOJNRZAFLFU-UHFFFAOYSA-N
-rxn:4:221726:222624,CC(C)Cc1cc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCNCC2)n1,VFSOUWOVXYYBGB-UHFFFAOYSA-N
-rxn:4:221726:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,PSLCQTORZDOEQT-UHFFFAOYSA-N
-rxn:4:221727:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2cncc(C(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)c2)cc1,HRGMAQDBWHXJKZ-UHFFFAOYSA-N
-rxn:4:221742:223812,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2)n(C)c1=O,JNJWNNLBLSTDSY-UHFFFAOYSA-N
-rxn:4:221779:225035,O=S(=O)(c1ccc(-c2cc(F)ccc2OC2CCCCC2)cc1)c1nnn2c1nc(N1CCC3(CC1)OCCO3)c1ccccc12,GQCXDHFJCHKKCH-UHFFFAOYSA-N
-rxn:4:221793:223537,CC1CN(c2ccc(-c3cc4cc(OC(F)(F)F)ccc4n3C(=O)OC(C)(C)C)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,XAUAQGJHBNDMCO-UHFFFAOYSA-N
-rxn:4:221927:224373,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC)c(S(=O)(=O)N7CCCC7)c6)cc5)no4)C3C2=O)cc1,KHCXUMNOFUOYBQ-UHFFFAOYSA-N
-rxn:4:221937:222584,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)nn1,WNZNYLXQNZYYCU-UHFFFAOYSA-N
-rxn:4:221943:223755,CC1CCN(CCCOc2ccc(-c3cncc(C(=O)N4CC(n5cc(CN6CCCC6=O)nn5)C4)c3)cc2F)CC1,SXQMTGMYSIJGSE-UHFFFAOYSA-N
-rxn:4:221951:222807,COc1nccnc1N(C)CC1CCN(c2ncc(-c3cc(C(=O)NC4CC4)cc([N+](=O)[O-])c3)cn2)CC1,BDHKFCUGRPTOMH-UHFFFAOYSA-N
-rxn:4:221965:223178,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)NOC)ccc5F)cc4)CC3)nn2)CC1,HYWFMJZHUJNNRB-UHFFFAOYSA-N
-rxn:4:221965:223573,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)cc5)cc4)CC3)nn2)CC1,PNJOFTPNBWFVDX-UHFFFAOYSA-N
-rxn:4:221965:227809,CCCCc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)cc1,PUYDIECIDNTDBP-UHFFFAOYSA-N
-rxn:4:221967:222543,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)cc2)c1=O,FAOOQCAZFRWDKZ-UHFFFAOYSA-N
-rxn:4:221983:228280,COc1cc(-c2c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc3nc(C)cc(C)n23)c(C)cc1Cl,YHBNEXUWBZDMET-UHFFFAOYSA-N
-rxn:4:222002:224182,Cc1cc(-c2cnc(N3CCC(N(C)c4ncc(Cl)cn4)CC3)c(C#N)c2)ccc1OCCN1CCOCC1,WDSHHNCYIVBZOK-UHFFFAOYSA-N
-rxn:4:222006:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5cc(-n6cccn6)ncn5)CC4)o3)ccc2OC)CC1,AJRSVVOWENLPLQ-UHFFFAOYSA-N
-rxn:4:222037:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(-n6ccnc6)nn5)CC4)cc3)cnc21,PSULBIYCAHLVSA-UHFFFAOYSA-N
-rxn:4:222046:224325,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,YBKONQSXPSRESC-UHFFFAOYSA-N
-rxn:4:222054:224604,Cc1nc2cc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(C)CC6)nn5)CC4)o3)c(F)cc2n1C(C)(C)C,CAXMAQMYONPGDZ-UHFFFAOYSA-N
-rxn:4:222060:222693,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5)cc4)CC3)nn2)c(C)c1C,SPRKDDPSFATKGW-UHFFFAOYSA-N
-rxn:4:222062:222835,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(=O)CC(C)C)cc4)cc3)CC2)n1,ZUTNCSGRULKAQF-UHFFFAOYSA-N
-rxn:4:222062:222962,CCCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)cc1,DAJILKPULBGHFE-UHFFFAOYSA-N
-rxn:4:222089:222935,CN(C)S(=O)(=O)NCc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,LUTBVILUNJXTSG-UHFFFAOYSA-N
-rxn:4:222102:223790,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cncc(C7CCCN7C(=O)OC(C)(C)C)c6)cc5)no4)C3C2=O)cc1,RWOCTANQOPDVFX-UHFFFAOYSA-N
-rxn:4:222108:223023,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNC(=O)N(C)C)cc6)cc5)no4)C3C2=O)cc1F,WDJDHCXLIMUFKW-UHFFFAOYSA-N
-rxn:4:222108:225212,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(N7CCN(C)CC7)c6)cc5)no4)C3C2=O)cc1F,HRMGGLWYSKDICC-UHFFFAOYSA-N
-rxn:4:222123:225893,COCCOc1c(Cl)ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)cc2)c1F,PVDJJLORCPLZRX-UHFFFAOYSA-N
-rxn:4:222143:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)cc1,AKWFHISEWUMVML-UHFFFAOYSA-N
-rxn:4:222161:224830,Cn1nc(C2CCN(c3ncc(-c4cc(C(F)(F)F)nn4C4CCCCO4)cn3)CC2)n(C2CC2)c1=O,VYJNCSRAPFYCAH-UHFFFAOYSA-N
-rxn:4:222184:222541,Cn1nc2cc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)ccc2c1C(=O)N1CCC(n2ccnn2)CC1,HZBZEIQRDFOOGU-UHFFFAOYSA-N
-rxn:4:222192:223958,CCN1CCN(C(=O)c2ccc(-c3cnc(N4CCN(c5nc(C6CC6)nc6c5CCC6)CC4)nc3)cc2F)CC1,LBEIVPSQYPKWBO-UHFFFAOYSA-N
-rxn:4:222194:223674,CC(C)(C)c1nc2c(c(N3CCN(c4ncc(-c5ccc(COc6cc(C(F)(F)F)ccc6Cl)cc5)cn4)CC3)n1)CCC2,QZBZLGPCOZDJEM-UHFFFAOYSA-N
-rxn:4:222228:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4nc(N5CCN(c6ccc7nccn7n6)CC5)sc4c3)cc2[N+](=O)[O-])CC1,ILDWIWAVOYQBHX-UHFFFAOYSA-N
-rxn:4:222254:223974,Cc1cc(C)n(-c2cc(OCC3CCN(c4ncc(-c5ccc(N6CCC(C)CC6)cc5C(F)(F)F)cn4)CC3)ncn2)n1,IJGIRYBYNNCMOK-UHFFFAOYSA-N
-rxn:4:222338:223533,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)n1,RTNRYHUDNZYKNJ-UHFFFAOYSA-N
-rxn:4:222338:226686,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4c(C)cnn4C4CCCCO4)cn3)CC2)n1,MMCJDBPIEWFPSJ-UHFFFAOYSA-N
-rxn:4:222349:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2CC3CN(c4ncnc5c4ncn5C)CC3C2)c1,NRXHTDZKJXRFKI-UHFFFAOYSA-N
-rxn:4:222362:224008,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)N7CCOCC7)cc([N+](=O)[O-])c6)cc6[nH]ncc56)nn4)cn3c2)CC1,VIIHHPCUMKSVIN-UHFFFAOYSA-N
-rxn:4:222389:175926,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)Oc1ccc(Cl)c(C)c1,NBQUHZNRYPVGIC-UHFFFAOYSA-N
-rxn:4:222389:176070,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1S(=O)(=O)Oc1cc(C)c(Cl)c(C)c1,VSCQTTLREVWPLJ-UHFFFAOYSA-N
-rxn:4:222450:185057,COc1ccc(CNS(=O)(=O)c2cccc(-c3cc(C(F)(F)F)ccc3C(=O)N(C(C)C)C(C)C)c2)cc1,LOYUNPIUXYRTAQ-UHFFFAOYSA-N
-rxn:4:222520:174009,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c2)cc1,HWILJRVIKNWYPY-UHFFFAOYSA-N
-rxn:4:222523:178787,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)C(F)(F)F)c(F)c(F)c2F)c(C(F)(F)F)c1,JZBKHLIROVIBMP-UHFFFAOYSA-N
-rxn:4:222523:197954,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc3c2CCCC3N2CCC(F)(F)C2)c(C(F)(F)F)c1,OJQOURFUBZQEOJ-UHFFFAOYSA-N
-rxn:4:222523:197978,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCCC3N2CCCC(F)(F)C2)c(C(F)(F)F)c1,LETVYYMNGKKDHN-UHFFFAOYSA-N
-rxn:4:222523:206959,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(N3CCN(S(C)(=O)=O)CC3)c2)c(C(F)(F)F)c1,SBPXAAXLCYSQQN-UHFFFAOYSA-N
-rxn:4:222621:185415,CC(C)Cc1cc(-c2ccc(N(C(=O)CC3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCCNC2)n1,RMJJWRIJVYGGMN-UHFFFAOYSA-N
-rxn:4:222723:218916,Cc1cc(CN2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)on1,NIAYKIKTKBRGCD-UHFFFAOYSA-N
-rxn:4:222744:174515,CC(C)[Si](Oc1ccc(-c2ccccc2CNC(=O)OC(C)(C)C)cc1)(C(C)C)C(C)C,IWULZEQXSIUKEB-UHFFFAOYSA-N
-rxn:4:222781:185079,Cc1cc(NC(=O)OC(C)(C)C)c(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cn1,IIPOQYGJQNESGL-UHFFFAOYSA-N
-rxn:4:222792:174428,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2ccc(SC(C)(C)C(=O)OC(C)(C)C)cc2)c1,KUXIWPFQUWVHTF-UHFFFAOYSA-N
-rxn:4:222801:187252,Cc1ccc(-c2ccc(F)c(CCN3CCC(C(F)(F)F)CC3)c2)cc1S(=O)(=O)NC(C)(C)C,FPQZGXRGVWCKDE-UHFFFAOYSA-N
-rxn:4:222810:185080,CC(c1cccc(-c2cc(NC(=O)OC(C)(C)C)ncc2Cl)c1)N(C)C(=O)OC(C)(C)C,WHJRSFZEPPSJMV-UHFFFAOYSA-N
-rxn:4:222820:204596,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1F,LOQZGRQJESRKDL-UHFFFAOYSA-N
-rxn:4:222821:185079,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1,AHKXQEWVKAFOLM-UHFFFAOYSA-N
-rxn:4:222821:185195,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)ccc1F,PGTQGFAOIVDIID-UHFFFAOYSA-N
-rxn:4:222821:189517,CC(C)(C)NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CC(F)(F)C3)c2)ccc1F,HLUOQSCSUCSCLT-UHFFFAOYSA-N
-rxn:4:222910:187420,CCCNS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C)c(C)c1,URXGCFQTPMWMDL-UHFFFAOYSA-N
-rxn:4:222941:187221,CONS(=O)(=O)c1c(C)cc(-c2cc(F)ccc2C2CN(C(=O)OC(C)(C)C)C2)cc1C,XEDXQIKZHVBFFU-UHFFFAOYSA-N
-rxn:4:223002:187490,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1ccc(C2CCNCC2)cc1F,GHPBINFJXROREE-UHFFFAOYSA-N
-rxn:4:223071:204131,CCS(=O)(=O)NCc1ccc(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)cc1,IDDUOKPUSJDQKI-UHFFFAOYSA-N
-rxn:4:223541:205176,COc1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1[N+](=O)[O-],MZLLOVKJOWICRB-UHFFFAOYSA-N
-rxn:4:223570:176275,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3C=C3Oc4cc(OS(=O)(=O)c5ccccc5)ccc4C3=O)c(F)ncc21,ZSICLMOXTCGYKF-UHFFFAOYSA-N
-rxn:4:223570:184219,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc4cc(O[Si](C)(C)C(C)(C)C)ccc4n3C(=O)OC(C)(C)C)c(F)ncc21,DMPHKAMSLZSEIT-UHFFFAOYSA-N
-rxn:4:223570:185417,CC(C)c1ccc(N(C(=O)c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)C2C=CS(=O)(=O)C2)cc1,JZZRDINKINZOGJ-UHFFFAOYSA-N
-rxn:4:223570:204586,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4nc(Cl)c(/C=N/[S@@](=O)C(C)(C)C)cc4c3)c(F)ncc21,JPLBMLSEKHZORJ-GVTYKXBYSA-N
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-rxn:5:178295:228562:226778,CCC(C)c1csc(-c2ccc(-c3cc(OC)c(OC)c(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RDLUQIFOVNBJRT-UHFFFAOYSA-N
-rxn:5:178295:228567:227079,CCC(C)c1sccc1-c1ccc(-c2cc(CC(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,VHVRBANPEZTPKD-UHFFFAOYSA-N
-rxn:5:178295:228567:227724,CCC(C)c1sccc1-c1ccc(-c2cc(OC(F)F)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,OQKGFZNAUKXSSW-UHFFFAOYSA-N
-rxn:5:178295:228759:223004,COC(=O)C1(c2cc(-c3ccc(C4CCNCC4)c(F)c3)ccc2-c2ccc(C(C)=O)nc2)CCC(=O)CC1,HRERZXDSAUDLSD-UHFFFAOYSA-N
-rxn:5:178295:228906:222404,COC(=O)C1(c2cc(-c3ccc(C4NC(=O)NC4=O)cc3)ccc2-c2ccnc(C(F)F)c2)CCC(=O)CC1,ZZUNWVOIMPNLKX-UHFFFAOYSA-N
-rxn:5:178295:229270:223006,COC(=O)C1(c2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2cnc(C#N)s2)CCC(=O)CC1,JRECCTYVLFQXPR-UHFFFAOYSA-N
-rxn:5:178313:225451:226189,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCCC3)cc2)c(-c2ccc(C3CCCC3)c(F)c2)c1,ZIAYGOKMTSWGJQ-UHFFFAOYSA-N
-rxn:5:178313:225451:226915,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCCC3)cc2)c(-c2ccc(C3CCCC3)cc2)c1,PNVSBJMJTVXRBS-UHFFFAOYSA-N
-rxn:5:178313:225451:226969,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCCC3)cc2)c(-c2ccc3c(c2)CCCC3=O)c1,VOYXNFAPKGFKAR-UHFFFAOYSA-N
-rxn:5:178313:225499:227078,COc1ccc(C2CC2)c(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3CCCCC3)cc2F)c1,KIKNWFDXCILPBQ-UHFFFAOYSA-N
-rxn:5:178313:225595:226907,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(F)c(CN3CCCC3)c2)c(-c2cccc3c2CCC32CC2)c1,CXNODKMXHRVWJF-UHFFFAOYSA-N
-rxn:5:178313:226150:226069,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCC3)c2)c(-c2cccc(C3CCCCC3)c2)c1,KVMAKKZOTDDQLD-UHFFFAOYSA-N
-rxn:5:178313:226907:225394,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc3c2CCC32CC2)c(-c2cc(C3CCC3)cc(C3CC3)c2)c1,WNPSPVMKPDNIFF-UHFFFAOYSA-N
-rxn:5:178313:227066:225671,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C(=O)C3CC3)c2)c(-c2cc(C3CCCCC3)ncc2F)c1,OPNHWEITEYLVNZ-UHFFFAOYSA-N
-rxn:5:178314:225407:226064,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCCC3)cc2)ccc1-c1ccc(C2CCCCC2)cc1,ZWRJFKMNRASZDG-UHFFFAOYSA-N
-rxn:5:178314:226060:226060,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CC3)cc(C3CC3)c2)ccc1-c1cc(C2CC2)cc(C2CC2)c1,ATXFPBCJCGRBPU-UHFFFAOYSA-N
-rxn:5:178314:226067:226183,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCCC3)cc2)ccc1-c1cnccc1C1CCCCC1,XUAFXEVAJDDRIL-UHFFFAOYSA-N
-rxn:5:178314:226916:225671,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3=CCCC3)c2)ccc1-c1cc(C2CCCCC2)ncc1F,ZDIWCHXFSJBISM-UHFFFAOYSA-N
-rxn:5:178314:226969:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc3c(c2)CCCC3=O)ccc1-c1cccc(SC2CCCCC2)c1,NPLOVJOBQFXKHN-UHFFFAOYSA-N
-rxn:5:178314:227119:226155,CC(=O)c1cc(-c2ccc(-c3cc(C4CCCCC4)cs3)cc2O[Si](C)(C)C(C)(C)C)cc(C2CC2)c1,CNEKLROWIWBZBX-UHFFFAOYSA-N
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-rxn:5:178315:226069:225603,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3CCCCC3)c2)cc(-c2cccc(C3(C#N)CCC3)c2F)c1,VVQXAWGETIPMJH-UHFFFAOYSA-N
-rxn:5:178315:226141:226686,Cc1cnn(C2CCCCO2)c1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccccc2OC2CCCC2)c1,VVYZHTIPDDKDHA-UHFFFAOYSA-N
-rxn:5:178315:226739:226794,CC(=O)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cnc(N4CCSCC4)nc3)c2)cc1[N+](=O)[O-],RGAAJSWGNDVQRL-UHFFFAOYSA-N
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-rxn:5:178466:226661:223065,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2c1-c1ccc(N2CCNCC2)cc1F,JUGGLKSAVJPBKR-UHFFFAOYSA-N
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-rxn:5:178467:225602:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2OC1,APNIUEFFPXIZKP-UHFFFAOYSA-N
-rxn:5:178467:225632:228062,CCOC(=O)C1=Cc2cc(-c3cncc4c3CCCO4)cc(-c3cccc(N4CCN(C)CC4)c3)c2OC1,NEUVDUBXMLNIFU-UHFFFAOYSA-N
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-rxn:5:178467:225833:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,KRDGIVCWPWGJDO-UHFFFAOYSA-N
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-rxn:5:178467:225976:227492,CCOC(=O)C1=Cc2cc(-c3c(OC)ncnc3C3CC3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,DXLSMVFCAHEQMS-UHFFFAOYSA-N
-rxn:5:178467:225978:228318,CCOC(=O)C1=Cc2cc(-c3cnccc3C(=O)OC)cc(-c3ccc(N4CCOCC4)nc3F)c2OC1,NPCDUXPZFGFRLX-UHFFFAOYSA-N
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-rxn:5:178467:226148:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,NTMGTYLSDPKSAA-UHFFFAOYSA-N
-rxn:5:178467:226395:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3cncc(N4CCCCC4)c3)c2OC1,JASNHKCALRDPAE-UHFFFAOYSA-N
-rxn:5:178467:226395:227379,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3cncc(N4CCCCC4)c3)c2OC1,CSHIYNMEQQDFID-UHFFFAOYSA-N
-rxn:5:178467:226425:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3ccc(N4CCCCC4C)s3)c2OC1,OEPDQVZZTMDHOH-UHFFFAOYSA-N
-rxn:5:178467:226663:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(N4CCSCC4)nc3)c2OC1,ZCZGPFBAPXHBOZ-UHFFFAOYSA-N
-rxn:5:178467:227297:226729,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCOC4)nc3)cc(-c3cc(CN(C)C)ccc3F)c2OC1,ZWWWZSPNQAJDMW-UHFFFAOYSA-N
-rxn:5:178467:227387:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3ccnc(N4CCCC4)c3)c2OC1,NCNWFKHZHMQYMW-UHFFFAOYSA-N
-rxn:5:178467:227505:223137,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCCNC4)c3)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2OC1,LWYIKWCKWVFRNC-PKNBQFBNSA-N
-rxn:5:178467:227507:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,GQTOURJWLOXIFE-UHFFFAOYSA-N
-rxn:5:178467:227546:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cccc(C(=O)OC)c3F)c2OC1,BNUVIIMHEYRMRQ-UHFFFAOYSA-N
-rxn:5:178467:228320:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccnc(C(=O)OC)c3)c2OC1,SRAPRHBICVLLOE-UHFFFAOYSA-N
-rxn:5:178556:226329:223007,N#CC1(c2ccc(-c3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3COc3ccc4c(c3)C(=O)CCC4)cc2F)CC1,IMXRYACEVUAHNE-UHFFFAOYSA-N
-rxn:5:179418:225452:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(OC3C=CCCC3)cc2)s1)N1CCOCC1,NPCSLSUHWWXGNX-UHFFFAOYSA-N
-rxn:5:179629:222988:223054,COc1ccc(-c2cc(C)nc(C3CCNCC3)c2)c(S(C)(=O)=O)c1-c1ccc(C(C)N2CCC(O)C2)s1,XCRPYWMRLQAQBM-UHFFFAOYSA-N
-rxn:5:179629:223137:223054,COc1ccc(-c2cncc(C3CCCNC3)c2)c(S(C)(=O)=O)c1-c1ccc(C(C)N2CCC(O)C2)s1,LEEYISHGMKSZLW-UHFFFAOYSA-N
-rxn:5:179629:223138:223054,COc1ccc(-c2ccnc(C3CCNCC3)c2)c(S(C)(=O)=O)c1-c1ccc(C(C)N2CCC(O)C2)s1,MYRBPFCAPWHMKP-UHFFFAOYSA-N
-rxn:5:179629:223139:223054,COc1ccc(-c2ccc(C3CCNCC3)nc2)c(S(C)(=O)=O)c1-c1ccc(C(C)N2CCC(O)C2)s1,ULEFADFVMZRNHT-UHFFFAOYSA-N
-rxn:5:179629:223141:223054,COc1ccc(-c2cncc(C3CCNCC3)c2)c(S(C)(=O)=O)c1-c1ccc(C(C)N2CCC(O)C2)s1,NGUQNWDAAJMWAL-UHFFFAOYSA-N
-rxn:5:180021:223063:227803,COc1c(-c2cc(F)nc(C3CCNCC3)c2)cc(C2OCCO2)cc1-c1ccnn1S(=O)(=O)N(C)C,IHXRPOYHBFXNBN-UHFFFAOYSA-N
-rxn:5:180021:225639:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1cccnc1N1CCC(C)CC1,UQGKNDCVAOBYLD-UHFFFAOYSA-N
-rxn:5:180021:225985:227119,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1cc(C2CCCCC2)cs1,HQYZIHIKSZKCAY-UHFFFAOYSA-N
-rxn:5:180021:225986:226662,COc1c(-c2ccc(N3CCN(C)CC3)s2)cc(C2OCCO2)cc1-c1ccccc1N1CCCS1(=O)=O,KXXODZATZTZPPW-UHFFFAOYSA-N
-rxn:5:180021:225987:226649,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1cccnc1N1CCOCC1,DYLKGAFNOAFVEZ-UHFFFAOYSA-N
-rxn:5:180021:226427:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1cc(N2CCC(C)CC2)cs1,XOTNRNFSGNGERQ-UHFFFAOYSA-N
-rxn:5:180022:223139:225926,COc1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc(-c2ccc(C3CCNCC3)nc2)c1C1OCCO1,BXPYBXTVMHUUSV-UHFFFAOYSA-N
-rxn:5:180022:223173:225798,COc1c(-c2ccc(OC3CCOCC3)nc2)ccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1C1OCCO1,NKMFETZJHLXUAM-UHFFFAOYSA-N
-rxn:5:180022:225926:223139,COc1c(-c2ccc(C3CCNCC3)nc2)ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1C1OCCO1,YKMCFGXWXPNZKQ-UHFFFAOYSA-N
-rxn:5:180022:225985:226426,COc1c(-c2ccc(N3CCC(C)CC3)s2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,DFRYMGRPBCKOOI-UHFFFAOYSA-N
-rxn:5:180022:225985:226649,COc1c(-c2cccnc2N2CCOCC2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,LEMFAKOADJEOLC-UHFFFAOYSA-N
-rxn:5:180022:225986:223140,COc1c(-c2ccnc(C3CCCNC3)c2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,YTHOTGMSXSNTGN-UHFFFAOYSA-N
-rxn:5:180022:226447:225986,COc1c(-c2ccccc2N2CCCS2(=O)=O)ccc(-c2ccnc(C3CCOCC3)c2)c1C1OCCO1,MWIZHWVJOZTVQF-UHFFFAOYSA-N
-rxn:5:180022:226649:225986,COc1c(-c2ccccc2N2CCCS2(=O)=O)ccc(-c2cccnc2N2CCOCC2)c1C1OCCO1,BQALLZJOWXYGFX-UHFFFAOYSA-N
-rxn:5:180022:227063:223054,COc1c(-c2ccc(C(C)N3CCC(O)C3)s2)ccc(-c2ccc(C)cc2OC(C)C)c1C1OCCO1,YLXSELRNYNEIPT-UHFFFAOYSA-N
-rxn:5:180402:222405:227021,N#CC1(c2ccc(-c3cc(-c4cccc(C5NC(=O)NC5=O)c4)ccc3C(=O)C3CCCCC3)cc2)CC1,UXFAYZATQGPIBO-UHFFFAOYSA-N
-rxn:5:180422:225832:228002,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1sccc1C1CCCC1,STXMOYSQSRFLJS-UHFFFAOYSA-N
-rxn:5:180506:226447:227803,CN(C)S(=O)(=O)n1nccc1-c1c(-c2ccnc(C3CCOCC3)c2)cc(C(C)(C)C)cc1C1OCCO1,HQEQGYUMXNFJAT-UHFFFAOYSA-N
-rxn:5:180602:226679:223056,COC(=O)C1Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)cc(-c3cnc(N4CCCC4)cc3F)c2O1,LQAYBGDAPRIYGX-UHFFFAOYSA-N
-rxn:5:180602:226794:225834,COC(=O)C1Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,FDIZWJQHJDXNBX-UHFFFAOYSA-N
-rxn:5:180662:222985:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3ccc(C4CCCNC4)nc3C)c2OC1,FZEXWBMLWJBHHT-ACCUITESSA-N
-rxn:5:180662:222987:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3ccc(C4CCNCC4)nc3C)c2OC1,PHVYNNXGNWWSOZ-SDNWHVSQSA-N
-rxn:5:180662:223064:223065,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,CCASZLVTCDVEIA-UHFFFAOYSA-N
-rxn:5:180662:223138:227768,COC(=O)C1=Cc2cc(-c3cccn3S(=O)(=O)N(C)C)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,CWDUPLKSMONDMZ-UHFFFAOYSA-N
-rxn:5:180662:225798:223285,COC(=O)C1=Cc2cc(-c3ccccc3NS(C)(=O)=O)cc(-c3ccc(OC4CCOCC4)nc3)c2OC1,OLCIBODQFIVMGZ-UHFFFAOYSA-N
-rxn:5:180662:225880:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3cc(C4CCOCC4)ncc3F)c2OC1,QRAMXVYFLXKEEY-UHFFFAOYSA-N
-rxn:5:180662:225987:222991,COC(=O)C1=Cc2cc(-c3ccc(N4CCCC(O)C4)cc3)cc(-c3ccc(N4CCCS4(=O)=O)cc3)c2OC1,SOOKCASLBNQDNI-UHFFFAOYSA-N
-rxn:5:180662:226643:226747,CCc1ncc(-c2cc3c(c(-c4ccc(N5CCOCC5)nc4)c2)OCC(C(=O)OC)=C3)cc1C(F)(F)F,JBVPPPCNTCXJMZ-UHFFFAOYSA-N
-rxn:5:180662:226679:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,FIUPMCCDSCQDFX-UHFFFAOYSA-N
-rxn:5:181630:225832:223007,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(C2OCCO2)c1-c1cc(F)cc(C2CCNCC2)c1,UWCRXALZLLNOSD-UHFFFAOYSA-N
-rxn:5:181904:225832:226452,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(C2OCCCO2)cc1,RAQRQOFJTNSUDQ-UHFFFAOYSA-N
-rxn:5:181904:225832:227684,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cnn(CC2OCCO2)c1,UOBIQRCAJCZIEA-UHFFFAOYSA-N
-rxn:5:181905:225407:225633,Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,MZCQHEAAPABZHB-UHFFFAOYSA-N
-rxn:5:181905:226426:225986,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(N2CCC(C)CC2)s1,IROOETBMIXMUHU-UHFFFAOYSA-N
-rxn:5:181905:226661:225985,Cc1ccc(-c2cccc(N3CCCS3(=O)=O)c2)c(C2OCCO2)c1-c1cc(N2CCN(C)CC2)cs1,DZVSPWLAYJRSET-UHFFFAOYSA-N
-rxn:5:181906:225607:226414,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1ccc(C2=NCCCO2)cc1,PBSVUMLTRHTHDJ-UHFFFAOYSA-N
-rxn:5:181906:225832:223135,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cccnc1C1CCCNC1,DXCAAFZUODIETF-UHFFFAOYSA-N
-rxn:5:181906:225832:226185,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccc(C2CCOCC2)cc1,QTDZDVFGFGFDCQ-UHFFFAOYSA-N
-rxn:5:181907:222987:222960,Cc1cc(-c2c(-c3ccc(C4CCNCC4)nc3C)cc(C)cc2C2OCCO2)cc(C2CCNCC2)c1,ZTIDVGPQMTVYLL-UHFFFAOYSA-N
-rxn:5:181907:222988:222998,Cc1cc(-c2cc(C)nc(C3CCNCC3)c2)c(-c2cc(F)cc(C3CCCNC3)c2)c(C2OCCO2)c1,WZOAYHHFZANNFN-UHFFFAOYSA-N
-rxn:5:181907:225438:225832,Cc1cc(-c2ccc(C(C)N3CCCC3)cc2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,BXUCTTCETRUXTN-UHFFFAOYSA-N
-rxn:5:181907:225439:225683,Cc1cc(-c2cccc(C(C)N3CCCC3)c2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,JYTJCTCFJAMCIY-UHFFFAOYSA-N
-rxn:5:181907:226686:225435,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccccc2CN2CCCCC2)c(C2OCCO2)c1,ZUGVNBAVFHCWMS-UHFFFAOYSA-N
-rxn:5:181908:225514:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(C2OCCO2)c(C)cc1-c1cccc2c1OCC1(CC1)CO2,LRKWITSTSXWNRZ-UHFFFAOYSA-N
-rxn:5:181908:225985:226427,Cc1cc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2cc(N3CCC(C)CC3)cs2)cc1C1OCCO1,FMCWUPZLNKTHMM-UHFFFAOYSA-N
-rxn:5:181908:225985:226661,Cc1cc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C1OCCO1,QZGQRJMEBMNLBV-UHFFFAOYSA-N
-rxn:5:181908:225985:226662,Cc1cc(-c2cccc(N3CCCS3(=O)=O)c2)c(-c2ccc(N3CCN(C)CC3)s2)cc1C1OCCO1,NOGNOVCHDIHXGF-UHFFFAOYSA-N
-rxn:5:181908:226661:225985,Cc1cc(-c2cc(N3CCN(C)CC3)cs2)c(-c2cccc(N3CCCS3(=O)=O)c2)cc1C1OCCO1,PBHFJEXSFWEOGV-UHFFFAOYSA-N
-rxn:5:181908:226662:225985,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)c(-c2cccc(N3CCCS3(=O)=O)c2)cc1C1OCCO1,UIXZPGSMMSCIKF-UHFFFAOYSA-N
-rxn:5:181908:226665:225832,Cc1cc(-c2cnc(C3CCCOC3)nc2)c(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,WAQLZXIUOYLICG-UHFFFAOYSA-N
-rxn:5:181908:226686:225581,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(CN3CCOCC3)cc2)cc1C1OCCO1,YRHXAXBEXQZULS-UHFFFAOYSA-N
-rxn:5:182009:225832:226452,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3OCCCO3)cc2)cc1C1CCOCC1,QELBMOSEJIXYND-UHFFFAOYSA-N
-rxn:5:182010:225832:226176,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccncc2C2CCCCC2)ccc1C1CCOCC1,FTJHSKYSXJAGIY-UHFFFAOYSA-N
-rxn:5:182012:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCCCO3)c2)c(C2CCCOC2)c1,NHMUBMKQDYXEBX-UHFFFAOYSA-N
-rxn:5:182012:226686:225832,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2CCCOC2)c1,MTXWKRQVSJDMMJ-UHFFFAOYSA-N
-rxn:5:182012:227103:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2sccc2C2CCCCC2)cc1C1CCCOC1,MFVCMCROFCQWEO-UHFFFAOYSA-N
-rxn:5:183190:225440:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc2c(c(-c3ccc(C4(C#N)CCCC4)cc3)c1)CC(C)(C)C2=O,QYRQJOGXKHYVOJ-UHFFFAOYSA-N
-rxn:5:183217:225832:227064,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccccc2OC(C)(C)C)cc2c1OC(C)(C)CC2=O,HVXUNYFKAWBAJP-UHFFFAOYSA-N
-rxn:5:188461:225611:226572,COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(N3CCCC3)cc2OC)c1-c1cnc(OC2CCCC2)nc1,SFAOWZDJQKOQCB-UHFFFAOYSA-N
-rxn:5:188787:223062:226438,O=[N+]([O-])c1cc(-c2cnc(C3CCNCC3)cc2F)c(-c2cnc(C3CCCC3)cc2F)cc1OC1CC1,LONMSYCXYSABHW-UHFFFAOYSA-N
-rxn:5:188868:226662:223062,CC(C)OC(=O)c1ccnc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccc(N2CCN(C)CC2)s1,NYIFIDHDIRDEBA-UHFFFAOYSA-N
-rxn:5:188872:226583:223062,CON(C)C(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ccc1-c1cnc(C2CCNCC2)cc1F,WRSWWSWDHWGGFC-UHFFFAOYSA-N
-rxn:5:188872:226583:223064,CON(C)C(=O)c1cc(-c2ccc(CN3CCOCC3)s2)ccc1-c1ccc(C2CCNCC2)nc1F,MFPATEUKTHMWPN-UHFFFAOYSA-N
-rxn:5:188873:226583:223062,CON(C)C(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccc(CN2CCOCC2)s1,JHDOKQWGWRNHNJ-UHFFFAOYSA-N
-rxn:5:188874:223007:222988,CON(C)C(=O)c1ccc(-c2cc(C)nc(C3CCNCC3)c2)cc1-c1cc(F)cc(C2CCNCC2)c1,RLTKPRONLGGTKE-UHFFFAOYSA-N
-rxn:5:188874:226583:223062,CON(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(CN2CCOCC2)s1,AUJQRWFZHZFERK-UHFFFAOYSA-N
-rxn:5:188930:226197:226432,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCCOC3)cc2)cc1-c1ccc(C2CCCC2)nc1F,KUFAJOKYMNZPGG-UHFFFAOYSA-N
-rxn:5:188932:223133:223138,COC(=O)c1cc(-c2ccnc(C3CCNCC3)c2)c(S(N)(=O)=O)c(-c2ccccc2N2CCNCC2)c1,VURRRJGBWAIRBK-UHFFFAOYSA-N
-rxn:5:188932:223140:225631,COC(=O)c1cc(-c2ccc(N3CCN(C)CC3)cc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCNC3)c2)c1,IOZNFDNIQOHYLB-UHFFFAOYSA-N
-rxn:5:188932:223146:223138,COC(=O)c1cc(-c2cccc(C3CNCCO3)c2)c(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)c1,AZDSINQJJVVMCH-UHFFFAOYSA-N
-rxn:5:188932:225639:226794,COC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)c(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)c1,VRYDWMXVJMHTIQ-UHFFFAOYSA-N
-rxn:5:188932:227656:226649,COC(=O)c1cc(-c2cc(N3CCOCC3)cs2)c(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)c1,IGXWHUKRQODDGF-UHFFFAOYSA-N
-rxn:5:189000:226895:225881,CC(C)Oc1cc(-c2cc(F)c(C(F)(F)F)cc2F)c(-c2ccc(C3CCOCC3)nc2F)cc1[N+](=O)[O-],DOZZMTQTILLQMQ-UHFFFAOYSA-N
-rxn:5:189078:226662:225978,CCN(C)C(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1-c1ccc(N2CCOCC2)nc1F,PQMWEWPCSSXDSB-UHFFFAOYSA-N
-rxn:5:189078:226662:225982,CCN(C)C(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1-c1cnc(N2CCOCC2)cc1F,RKSAIBJSLFQLKT-UHFFFAOYSA-N
-rxn:5:189083:226661:225982,CCN(C)C(=O)c1cccc(-c2cc(N3CCN(C)CC3)cs2)c1-c1cnc(N2CCOCC2)cc1F,KJFPPHXAWMCPDV-UHFFFAOYSA-N
-rxn:5:189083:226662:225978,CCN(C)C(=O)c1cccc(-c2ccc(N3CCN(C)CC3)s2)c1-c1ccc(N2CCOCC2)nc1F,XKGSQOGZIKRNJS-UHFFFAOYSA-N
-rxn:5:189207:225666:228202,CN(C)c1cc(-c2ccc(-c3cc(F)cc(N4CCCCC4)c3)cc2C(=O)ON2C(=O)CCC2=O)ccc1F,VFMCXVRJBDNKBH-UHFFFAOYSA-N
-rxn:5:189208:223061:227914,CC(C)Oc1ccccc1-c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1C(=O)ON1C(=O)CCC1=O,JUQJTCWRMOUJLV-UHFFFAOYSA-N
-rxn:5:189208:223360:225465,CNCc1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3cccc(C4CCN(C)CC4)c3)c2)c1F,GGBWNUBIWRPLTK-UHFFFAOYSA-N
-rxn:5:189210:228184:226197,COc1ccc(-c2cccc(-c3ccc(C4CCCOC4)cc3)c2C(=O)ON2C(=O)CCC2=O)cc1SC,GMKUDSBMTSLBIO-UHFFFAOYSA-N
-rxn:5:189212:225452:228397,COc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccc(OC3C=CCCC3)cc2)cc(F)c1F,QOTWASDUJBIQSS-UHFFFAOYSA-N
-rxn:5:189212:227528:227660,COC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(C(F)(F)F)ccc2C)cc1F,NGKAJSIEAXAQFR-UHFFFAOYSA-N
-rxn:5:189334:227387:225805,CC(c1ccc(-c2cc(-c3ccnc(N4CCCC4)c3)cnc2C(=O)OC(C)(C)C)s1)N1CCOCC1,AXORTMAJVRNXET-UHFFFAOYSA-N
-rxn:5:189449:227314:226662,COC1CN(C(=O)c2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2-c2ccc(CC(C)C)nc2F)C1,KEFFDCVDJNHNJM-UHFFFAOYSA-N
-rxn:5:189449:227315:226661,COC1CN(C(=O)c2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2-c2cnc(CC(C)C)cc2F)C1,LPWMAGHJXZTIKM-UHFFFAOYSA-N
-rxn:5:189449:227315:226662,COC1CN(C(=O)c2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2-c2cnc(CC(C)C)cc2F)C1,VGHGALLSUMFARQ-UHFFFAOYSA-N
-rxn:5:189538:225812:226427,Cc1cc(-c2ccc(C(=O)N(C)C(C)C)cc2-c2cc(N3CCC(C)CC3)cs2)c(F)c(OC(C)C)c1F,JICAMUWVAZIXRA-UHFFFAOYSA-N
-rxn:5:189538:226040:226587,Cc1c(-c2ccc(C(=O)N(C)C(C)C)cc2-c2cnc(OC3CCC3)cc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-],NQDWQHZNUSIYSS-UHFFFAOYSA-N
-rxn:5:189665:223004:227738,Cc1cnc(C(F)(F)F)cc1-c1cc(-c2ccc(C3CCNCC3)c(F)c2)cnc1OCC1CCOCC1,TUQFNEQUSVMWQX-UHFFFAOYSA-N
-rxn:5:189667:225498:226915,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3CCCC3)cc2)cc(-c2cc(C3CCCCC3)ccc2F)c1,ZTYMMICXGRECFD-WKCCFCLWSA-N
-rxn:5:189667:226069:226190,CC(C)(C)[S@](=O)/N=C/c1cc(-c2cccc(C3CCCCC3)c2)cc(-c2ccc(C3CCCC3)cc2F)c1,IGAYNHHCESGBCC-WKCCFCLWSA-N
-rxn:5:189670:225507:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)cc2/C=N/S(=O)C(C)(C)C)c1,ISNSOMBBBYECDX-ALQBTCKLSA-N
-rxn:5:189670:225507:227077,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)cc2/C=N/S(=O)C(C)(C)C)c(F)c1,NDHUUUKCEMYZLO-ALQBTCKLSA-N
-rxn:5:189671:225784:226911,CCc1cc(C)cc(CC)c1-c1cccc(-c2ccc(CN3CCOCC3)nc2)c1/C=N/S(=O)C(C)(C)C,VKHMGUKDOAWMCG-KEIPNQJHSA-N
-rxn:5:189672:225407:226907,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(C3CCCCCC3)cc2)c1-c1cccc2c1CCC21CC1,OZBSYXIPBFKREK-XBQJKBNESA-N
-rxn:5:189673:225498:227052,CC(C)(C)Sc1ccc(-c2cc(-c3cc(C4CCCCC4)ccc3F)ccc2/C=N/S(=O)C(C)(C)C)cc1,JXOVACSESBYYGM-FADJLKOXSA-N
-rxn:5:189673:227403:223132,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(N3CCCCC3)s2)cc1-c1cccc(N2CCNCC2)c1,XPRPXUNBUBCTML-WEMUVCOSSA-N
-rxn:5:189676:227045:225436,CC(C)(C)Sc1cccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2ccc(CN3CCCCC3)cc2)c1,XBVCPESUUQYNAL-UHFFFAOYSA-N
-rxn:5:189826:223054:226032,COc1cc(-c2ccc(CC(=O)N3CCOCC3)c(-c3ccc(C(C)N4CCC(O)C4)s3)c2)c(F)c(C(F)(F)F)c1,GBQSKYQUWGOJCB-UHFFFAOYSA-N
-rxn:5:189826:226747:226762,CCc1ncc(-c2cc(-c3cc(SC)cc(C(F)(F)F)c3)ccc2CC(=O)N2CCOCC2)cc1C(F)(F)F,ZTDAHWPHMFTMLS-UHFFFAOYSA-N
-rxn:5:189952:226645:225976,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,AZZSNMJNBPOUIJ-UHFFFAOYSA-N
-rxn:5:189952:226664:225834,COc1c(-c2cc(N3CCCCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cc(N2CCCC2)ncc1F,GHGJMUXTVSRGTJ-UHFFFAOYSA-N
-rxn:5:189952:228363:226710,COc1c(-c2cnc(N(C)C)cc2F)cc(C(=O)N2CCOCC2)cc1-c1ccc(F)c([Si](C)(C)C)c1F,GTMUQEMOERSTLQ-UHFFFAOYSA-N
-rxn:5:190001:226576:226841,COc1cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(F)c(C(=O)N(C)C)c2)cnc1C(F)(F)F,BKKZRQFSLLHHBX-UHFFFAOYSA-N
-rxn:5:190127:225976:223149,CCOc1cc2cn[nH]c2cc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1C(=O)N1CCC(OC)CC1,GDTFLHYBGHWWPY-UHFFFAOYSA-N
-rxn:5:190127:225982:223149,CCOc1cc2cn[nH]c2cc1-c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1C(=O)N1CCC(OC)CC1,ZWBMBRCSZGCMLA-UHFFFAOYSA-N
-rxn:5:190127:227045:227348,COc1ccc(-c2ccc(-c3cccc(SC(C)(C)C)c3)cc2C(=O)N2CCC(OC)CC2)c(C)c1OC,ADNDGESZUFQZSZ-UHFFFAOYSA-N
-rxn:5:190132:225499:227935,CCc1cc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2C(=O)N2CCC(OC)CC2)ccc1OC,IMRGTRXAPAAXHO-UHFFFAOYSA-N
-rxn:5:190132:225982:223149,CCOc1cc2cn[nH]c2cc1-c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1C(=O)N1CCC(OC)CC1,SJUBZXRIKYUDEM-UHFFFAOYSA-N
-rxn:5:190132:228512:225453,CC#Cc1cccc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3cccc(SC4CCCCC4)c3)c2)c1,HHCYDTNQTGQKKW-UHFFFAOYSA-N
-rxn:5:190177:227390:223145,O=C1CCC(c2ccc(-c3ccc(SC4CC(=O)N(c5ccc(-c6ccnn6C6CCCCC6)cc5)C4=O)cc3)cc2)N1,LVYUIQCTOJEEAH-UHFFFAOYSA-N
-rxn:5:190194:225639:227505,COC1CCN(Cc2cccc(-c3cccnc3N3CCC(C)CC3)c2-c2ccc(/C=C/[N+](=O)[O-])cc2)CC1,XOSHPSORHBUHIN-HYARGMPZSA-N
-rxn:5:190194:225639:227506,COC1CCN(Cc2cccc(-c3cccnc3N3CCC(C)CC3)c2-c2cccc(/C=C/[N+](=O)[O-])c2)CC1,IBXWFZRFPJUUPR-FYJGNVAPSA-N
-rxn:5:190194:225639:227507,COC1CCN(Cc2cccc(-c3cccnc3N3CCC(C)CC3)c2-c2cccc(C=C[N+](=O)[O-])c2)CC1,IBXWFZRFPJUUPR-UHFFFAOYSA-N
-rxn:5:190194:226190:227071,COCc1cc(C)c(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCC3)cc2F)c(C)c1,ASRVLSQNOUHNCN-UHFFFAOYSA-N
-rxn:5:190194:227501:225639,COC1CCN(Cc2cccc(-c3ccc(C=C[N+](=O)[O-])cc3)c2-c2cccnc2N2CCC(C)CC2)CC1,DXWPREDOAIUKDY-UHFFFAOYSA-N
-rxn:5:190195:222417:225978,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(N2CCOCC2)nc1F,BPLOYDULAFEUKJ-UHFFFAOYSA-N
-rxn:5:190195:223113:225978,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(N3CCOCC3)nc2F)c1)C1CCOCC1,IMVGVVDZOGDJRL-UHFFFAOYSA-N
-rxn:5:190195:225590:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1ccc(CN2CCCC2)c(F)c1,GOFRQDSYHSCSAK-UHFFFAOYSA-N
-rxn:5:190195:225833:227379,CN(Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cccnc2N2CCCC2)c1)C1CCOCC1,ALXLLKWJSRTYQF-UHFFFAOYSA-N
-rxn:5:190195:225886:225499,CN(Cc1ccc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(-c2ccc(C3CCCCC3)cc2F)c1)C1CCOCC1,DUUPOAUBXKXAJC-UHFFFAOYSA-N
-rxn:5:190196:223056:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1CN(C)C1CCOCC1,OMHQTQBVYJUVRP-UHFFFAOYSA-N
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-rxn:5:190484:226068:227068,Cc1cc(C(C)(C)C)cc(C)c1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(CC(C)C)cc3F)S(=O)(=O)CC2)c1,BEKFRLWKNLXETD-UHFFFAOYSA-N
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-rxn:5:190742:225980:225631,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1ccc(N2CCN(C)CC2)cc1,UFGBKQGGKPHSFB-UHFFFAOYSA-N
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-rxn:5:190742:226661:225849,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCN(C)CC4)cs3)c2c1-c1cnc(N2CCCCC2)cc1F,IJJGNXABUGZLTE-UHFFFAOYSA-N
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-rxn:5:190743:226662:225833,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCN(C)CC4)s3)ccc2c1-c1ccnc(N2CCCCC2)c1F,WBHKOBGKFXEVSP-UHFFFAOYSA-N
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-rxn:5:190744:225588:225833,CCOC(=O)c1cnc2c(-c3ccccc3CN3CCSCC3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,RSIVOXQKRIFZSD-UHFFFAOYSA-N
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-rxn:5:190796:226069:225453,CC(C)(C)OC(=O)n1cc(-c2cccc(C3CCCCC3)c2)c2c(-c3cccc(SC4CCCCC4)c3)cccc21,GDVANJPGKFOYQZ-UHFFFAOYSA-N
-rxn:5:190797:225394:226150,CC(C)(C)OC(=O)n1ccc2c(-c3cccc(SC4CCCC4)c3)cc(-c3cc(C4CCC4)cc(C4CC4)c3)cc21,ZGHQUNJWIUNFJA-UHFFFAOYSA-N
-rxn:5:190797:225453:226150,CC(C)(C)OC(=O)n1ccc2c(-c3cccc(SC4CCCC4)c3)cc(-c3cccc(SC4CCCCC4)c3)cc21,FIGBQAAMOWRLFI-UHFFFAOYSA-N
-rxn:5:190797:225930:226761,CSc1ccc(-c2cc(-c3cc(C)ccc3S(=O)(=O)N(C)C)cc3c2ccn3C(=O)OC(C)(C)C)c(C(F)(F)F)c1,BBTSXUHGEXBULP-UHFFFAOYSA-N
-rxn:5:190799:226064:225453,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C4CCCCC4)cc3)c(-c3cccc(SC4CCCCC4)c3)ccc21,QPJJOBPOHRRXFO-UHFFFAOYSA-N
-rxn:5:190832:223061:223140,CCOC(=O)c1cnc2cc(C)c(-c3cc(C4CCNCC4)ncc3F)c(C)c2c1-c1ccnc(C2CCCNC2)c1,YGZSYNINIATAFD-UHFFFAOYSA-N
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-rxn:5:190833:227065:228388,Cc1cnc(C(F)F)cc1-c1ccc(-c2cccc(C(=O)C(C)C)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,DOGOMKVLIZWOCH-UHFFFAOYSA-N
-rxn:5:190833:228463:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(OC(F)F)nc2)c2c1CN(C(=O)OC(C)(C)C)C2=O,VSCSYIPSUPJMKD-UHFFFAOYSA-N
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-rxn:5:190859:226150:227983,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CCCC3)c1)c2-c1ccccc1[Si](C)(C)C,VSTDYNZJRKWCQE-UHFFFAOYSA-N
-rxn:5:190859:226182:227908,CC(C)Cc1ncccc1-c1c(-c2cccnc2C2CCCCC2)ccc2c1CCN2C(=O)OC(C)(C)C,ALNSBCQVUCKQMD-UHFFFAOYSA-N
-rxn:5:190859:226916:226064,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(C3=CCCC3)c1)c2-c1ccc(C2CCCCC2)cc1,DZIKTGKLVCRWKN-UHFFFAOYSA-N
-rxn:5:190859:227808:226146,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc3c(c1)CCCC3)c2-c1ccc(SC2CCCC2)cc1,WJJYNIGXDISNJF-UHFFFAOYSA-N
-rxn:5:190998:223141:225849,COC(=O)c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1N1Cc2cc(-c3cncc(C4CCNCC4)c3)ccc2OCC1=O,FWQFIPXRPBCPFT-UHFFFAOYSA-N
-rxn:5:190998:225822:228476,COC(=O)c1cc(-c2cccnc2C(F)(F)F)ccc1N1Cc2cc(-c3cccc(C(F)(F)F)c3C3CC3)ccc2OCC1=O,YPKORBXTERCSCN-UHFFFAOYSA-N
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-rxn:5:191026:227076:226592,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(F)c(F)cc4OC(C)C)c2)C=C(C(=O)OC)S3(=O)=O)c1,WUEQCCUCKVZXAI-UHFFFAOYSA-N
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-rxn:5:197876:227079:227404,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cc(N4CCCCC4)cs2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,ZLWCSHZWSLFTCQ-UHFFFAOYSA-N
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-rxn:5:197876:227117:227113,Cc1cc(F)c(C2CC2)cc1-c1cc2c(cc1-c1cc(C3CC3)cc(C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,UUXPLGACCUESIS-UHFFFAOYSA-N
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-rxn:5:197876:227338:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(OC(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UNXNABOFGHFOSI-UHFFFAOYSA-N
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-rxn:5:197876:227409:227525,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc(C(C)(C)C)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,CTRPDVQGQWCZMM-UHFFFAOYSA-N
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-rxn:5:197876:227752:223288,CNS(=O)(=O)c1cccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CVOMKRWINJPVBU-UHFFFAOYSA-N
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-rxn:5:197876:228616:225590,CSc1ccc(-c2cc3c(cc2-c2ccc(CN4CCCC4)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)c1,ISCSMIFMFIVDIX-UHFFFAOYSA-N
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-rxn:5:227989:178295:226920,CC#Cc1ccc(F)c(-c2ccc(-c3cc(C(C)(C)C)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DGYXXUPHGIUBSD-UHFFFAOYSA-N
-rxn:4:173367:224010,C#Cc1cc(F)c(OC(CC)C(=O)OC)c(-c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1,COZSWDXUNNHKSW-UHFFFAOYSA-N
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-rxn:4:173550:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cc(C(=O)OC(C)(C)C)cc(-c2ccccc2OC(F)(F)F)c1,MBFZUILTHUPVJC-UHFFFAOYSA-N
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-rxn:4:173652:223960,CCOC(=O)C(C)Oc1ccc2c(=O)c(-c3ccc(-c4ccc(F)c(C(=O)N5CCN(CC)CC5)c4)cc3)coc2c1,NNDJSWYQLQDSKZ-UHFFFAOYSA-N
-rxn:4:173704:224846,CCC1CCC(c2ccc(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)c4c(OC)cccc34)cc2)CC1,UOZOBVJFRBIOGV-UHFFFAOYSA-N
-rxn:4:174075:223640,CCOC12C(=O)c3cc(F)cc(-c4cc(C(=O)CC(=O)CC5CC5)ccc4F)c3C(=O)C1C2(C)C,SKERBLMHMVIMLJ-UHFFFAOYSA-N
-rxn:4:174166:224101,COC(=O)c1cc(C(C)C)cc(-c2cccc(OCCN3CCC(C)CC3)c2)c1OC(F)F,VRGPWSCHPNBSQJ-UHFFFAOYSA-N
-rxn:4:174310:224349,Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(N2CCCCC2)c(C(F)(F)F)c1,MBGAWOGPGFAJEZ-UHFFFAOYSA-N
-rxn:4:174375:223503,COC(=O)C(C)(C)c1cc(OC)c(OC)cc1-c1c(F)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1F,NFQOMVAQQZDEPN-UHFFFAOYSA-N
-rxn:4:174427:223888,CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2Cl)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c1,LYYRIFWLSSLFQQ-UHFFFAOYSA-N
-rxn:4:174427:223978,CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2Cl)c(-c2ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c2)c1,RNBAAGOJRDFDAY-UHFFFAOYSA-N
-rxn:4:174436:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(CC3(C(=O)OC(C)(C)C)CC3)ccc2Cl)cc1,RWJKVFMDWCPSSM-UHFFFAOYSA-N
-rxn:4:174448:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(C(=O)CO[Si](C)(C)C(C)(C)C)cc3)cnc21,YNTHWZKGEZFOEH-UHFFFAOYSA-N
-rxn:4:174450:225726,CCOC(=O)c1ccc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)OC(C)(C)C)c2)cc1OC,XWLSQSFGSLJPEI-LJQANCHMSA-N
-rxn:4:174480:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cc(C(=O)OC(C)(C)C)cc(-c4ccccc4C(F)(F)F)c3)cnc21,REPBVEXJRGFANF-UHFFFAOYSA-N
-rxn:4:174483:223809,COc1ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cc1CO[Si](C)(C)C(C)(C)C,JVHFJPJNTUXXDM-UHFFFAOYSA-N
-rxn:4:174483:224162,COc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc1CO[Si](C)(C)C(C)(C)C,KTNQUOJVXNOMRO-UHFFFAOYSA-N
-rxn:4:174489:223481,CC1(C)COC(CCCC(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)OC1,NYOAYKCLFNJRBS-UHFFFAOYSA-N
-rxn:4:174514:224834,CC(C)[Si](Oc1cccc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)c1)(C(C)C)C(C)C,DHYJZWWESIHMCI-UHFFFAOYSA-N
-rxn:4:174522:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3)cc2C)cc1,MUZXWEOZBGILLL-UHFFFAOYSA-N
-rxn:4:174526:225744,Cc1c(-c2cncc(C(=O)OC(C)(C)C)c2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,SSOJYZPEHQHGEC-UHFFFAOYSA-N
-rxn:4:174528:224956,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(O[Si](C)(C)C(C)(C)C)c1,NYKMMGWSUSPXHZ-UHFFFAOYSA-N
-rxn:4:174571:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4cc(OCC(=O)OC(C)(C)C)ccc4c3)c(F)ccc21,QDDNMSFZNCEOQR-UHFFFAOYSA-N
-rxn:4:174593:225263,COC(=O)c1cc(C(=O)OC)cc(-c2cc3oc(C)c(C(=O)OC)c3cc2OC(=O)C(C)(C)C)c1,MJTFMYCAJSDHQK-UHFFFAOYSA-N
-rxn:4:174656:224305,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c3F)c12)(C(C)C)C(C)C,INEIPDFCPDIXSC-UHFFFAOYSA-N
-rxn:4:174660:224368,CCOC(=O)c1c(C)oc2c(-c3cnc(Cl)c(N(C)C(=O)OC(C)(C)C)c3)cc3oc(=O)c(C(=O)CC)cc3c12,IYXBSVPLTVMTFQ-UHFFFAOYSA-N
-rxn:4:174753:224367,CC(C)COc1cc(-c2cc(OCC(F)(F)F)ccc2C(F)(F)F)ccc1OC(F)(F)F,CCUUEIQLIPELKV-UHFFFAOYSA-N
-rxn:4:174963:223507,CCCCOc1cc(Cl)cc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,SJEMNOABQBLHGU-UHFFFAOYSA-N
-rxn:4:175204:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cc(OCC4CC4)ccc3C(F)(F)F)cc2)CC1,DFSLQAAMUSTRRC-UHFFFAOYSA-N
-rxn:4:175414:223712,CCOC(=O)C1OC1(C)c1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,NOFDHHZUBQRJFU-UHFFFAOYSA-N
-rxn:4:175650:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C(=O)CS(=O)(=O)c4ccccc4)cc3)cc(C(F)(F)F)c2)CC1,KZASXTGBTNAOFQ-UHFFFAOYSA-N
-rxn:4:175813:224835,CC(=O)c1ccc(C(=O)OC(C)(C)C)c(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)c1,FHOSHDDHJHSPMS-UHFFFAOYSA-N
-rxn:4:175919:222904,CC(C)(C)OC(=O)Nc1ccc(-c2cc(OCC3CCOCC3)cc(C(F)(F)F)c2)cn1,KCLWHDJZZUBLMW-UHFFFAOYSA-N
-rxn:4:175935:224162,CCOC(=O)C1(c2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)c2)CCCC1,QZAAYPLQTKJHMF-UHFFFAOYSA-N
-rxn:4:175939:222612,COc1cc(COC2CCCCO2)ccc1-c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F,PBOCKBFQKUXLEF-UHFFFAOYSA-N
-rxn:4:176085:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)c(F)ccc21,WFQVUOOGWOWCPD-UHFFFAOYSA-N
-rxn:4:176099:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cccc(F)c3CO[Si](C)(C)C(C)(C)C)cnc21,KCRIWWOXZUQFKA-UHFFFAOYSA-N
-rxn:4:176125:222395,O=C(Oc1cccc(-c2cccc(C(=O)NC3CCC(O)CC3)c2)c1)C1=C(c2ccccc2)S(=O)(=O)CCO1,MSOUBBGPCQMELJ-UHFFFAOYSA-N
-rxn:4:177091:223559,C#Cc1ccc(OC(C)C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,YCEWDFDXECDVJC-UHFFFAOYSA-N
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-rxn:4:177977:223683,COC(=O)C1(C)OC1(C)c1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1,CWORJZWSDNZMIS-UHFFFAOYSA-N
-rxn:4:177977:223846,COC(=O)C1(C)OC1(C)c1ccc(-c2cc(C)cc(C3CC4CCC3(C)C4(C)C)c2)cc1,VCDOODOIVHBVBY-UHFFFAOYSA-N
-rxn:4:178177:223526,CC(C)Oc1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C2OCCO2)c1,AWWBIGLLTQBYHH-UHFFFAOYSA-N
-rxn:4:178381:224842,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c(C(C)(C)C)c1,XWBAGENQSSUUSU-UHFFFAOYSA-N
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-rxn:4:178384:228378,N#Cc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F,KBWFROCDCBPOCV-UHFFFAOYSA-N
-rxn:4:178384:228442,COc1cc(Cl)c(F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,YHDBFBMBWDKCBX-UHFFFAOYSA-N
-rxn:4:178518:223559,COC(=O)C12CCC(c3cccc(-c4ccc5c(c4)C(C)=CC(C)(C)N5C(=O)OC(C)(C)C)c3)(C1)C2,LPESDARYZDSFSI-UHFFFAOYSA-N
-rxn:4:178588:225108,CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)c(F)c1,ANKDCAKIEHTYJA-UHFFFAOYSA-N
-rxn:4:178597:226360,Cn1nccc1-c1cccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,MJLVSLRPDKDKGO-UHFFFAOYSA-N
-rxn:4:178597:226921,Cc1cc(C)c(C2CC2)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,IQLPEZRYFWRIBJ-UHFFFAOYSA-N
-rxn:4:178926:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc(C(F)F)cc(C(F)F)c3)c2)CC1,RXYQCEPINUJLJB-UHFFFAOYSA-N
-rxn:4:179227:223482,O=S(=O)(c1cc(-c2ccc(OC3CC3)c(F)c2)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,WHFKRSAYSACSJP-UHFFFAOYSA-N
-rxn:4:179307:222521,CC(=O)c1cc(C(F)(F)F)cc(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)c1Cl,SWBOVTBVWPCQCU-UHFFFAOYSA-N
-rxn:4:179411:223559,COC(=O)c1cc(Cl)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C,VBAHHWXYXIGTBI-UHFFFAOYSA-N
-rxn:4:179596:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(F)c(Cl)cc1OC(C)C,OKBMLHWIACFYSS-UHFFFAOYSA-N
-rxn:4:179928:223995,CN1CCN(c2cc(-c3cc(C4OCCO4)c(F)cc3C(F)(F)F)cc(C(F)(F)F)c2)CC1,POZGKDYITQGJEF-UHFFFAOYSA-N
-rxn:4:179943:223540,CCOc1cc(C)c(C)cc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,SOYLELSKCDLNLE-UHFFFAOYSA-N
-rxn:4:180022:223814,COc1c(Cl)ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c1C1OCCO1,DMOWBSVOWRSRID-UHFFFAOYSA-N
-rxn:4:180506:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(C)(C)C)cc(C3OCCO3)c2Cl)c(C(F)(F)F)c1,LPDNTSHWTHIFJU-UHFFFAOYSA-N
-rxn:4:182145:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3c(c(C(F)(F)F)c2)C(=O)CO3)c(C(F)(F)F)c1,ZLKOQJSOVMCKKI-UHFFFAOYSA-N
-rxn:4:182372:222776,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(CN4CCC(O)CC4)cc3F)cc1C2=O,VMMJUUZKWVQAOK-MGFGWZDJSA-N
-rxn:4:182372:223743,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C)c(OCCCN4CCC(C)CC4)c3)cc1C2=O,AYDKUPDEKFMLIQ-IGQBSVTCSA-N
-rxn:4:183273:228621,CSc1cc(C)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,NWUMOCFDQNRKFJ-UHFFFAOYSA-N
-rxn:4:183273:228702,CC(C)c1ncncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,WEWIOFFTRYNDPU-UHFFFAOYSA-N
-rxn:4:183274:229288,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)s1,COLFEHRXWGPPGF-UHFFFAOYSA-N
-rxn:4:183504:224802,CCOC(=O)Cc1cc(C(F)F)c(-c2ccc(C(OC)OC)cc2C(F)(F)F)cc1C#N,LERMDPAWCFRKFJ-UHFFFAOYSA-N
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-rxn:4:187430:225340,CCOc1cc(-c2cc(CN3CCCC(C)C3)cc(C(=O)OC)c2)ccc1OC(F)(F)F,IXBFNPJYSFQSLN-UHFFFAOYSA-N
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-rxn:4:187863:224967,COC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3OC)cc(C(C)(C)C)c1,LCXYGXCYUJIWHV-UHFFFAOYSA-N
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-rxn:4:187917:224817,COc1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)c(C(=O)N2C3CCC2CC(SC)C3)c1,YOUSWBSZJCWQQO-UHFFFAOYSA-N
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-rxn:4:187974:224494,O=C1OC2(CCCN(C(=O)CCc3ccccc3-c3ccc(CCOC4CCCCO4)cc3)C2)c2ccccc21,OSODRJDSXRVTRI-UHFFFAOYSA-N
-rxn:4:187995:224555,CCc1cc(-c2ccc(Oc3ccccc3)c(OC)c2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,DLOCVIPMLWKDLN-UHFFFAOYSA-N
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-rxn:4:188023:224302,COc1cccc(C2c3c(oc4ccc(-c5ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c5F)cc4c3=O)C(=O)N2CC2CCCO2)c1,JDRRCJDGBIIIOF-UHFFFAOYSA-N
-rxn:4:188034:223883,CC(C)(C)OC(=O)N1CCCc2cc(-c3csc(C(=O)C(F)(F)C(F)(F)F)n3)ccc21,QFXNNKSFIARHNT-UHFFFAOYSA-N
-rxn:4:188294:222702,N#Cc1cc(C(F)(F)F)c(-c2cc(C3CCCNC3)ccc2C(F)(F)F)cc1C(F)(F)F,DIPPJHJBUUMPMC-UHFFFAOYSA-N
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-rxn:4:189870:225370,COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2C(=O)N2CCOCC2)cc(C(F)(F)F)n1,JHAHGDVEBIRTQD-UHFFFAOYSA-N
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-rxn:4:189921:223602,COC(=O)c1c(C2CCOCC2)ccnc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,LESISCWIKTZZKJ-UHFFFAOYSA-N
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-rxn:4:189985:223939,CC(=NS(=O)C(C)(C)C)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)c1,WVKLOIRLGWVMTD-UHFFFAOYSA-N
-rxn:4:189992:223866,CN(C(C)(C)C)S(=O)(=O)c1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1,XXAVPRPBUZCOOZ-UHFFFAOYSA-N
-rxn:4:190001:224120,Cc1cc(-c2cc(CC(=O)N3CCCCC3)ccc2Cl)ccc1CO[Si](C)(C)C(C)(C)C,ZUMCSCAOXDAEPN-UHFFFAOYSA-N
-rxn:4:190048:225325,CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2C(=O)N2CCCCC2)cc([N+](=O)[O-])c1,NFOSUQMHRXLXHI-UHFFFAOYSA-N
-rxn:4:190162:225814,COc1c(Cl)cc(C(=O)N2CCC(F)(F)CC2)cc1-c1cccc(C2(C(F)(F)F)CC2)c1,KAJNJZUMIRGFGP-UHFFFAOYSA-N
-rxn:4:190175:227230,CCCOc1ncc(C)cc1-c1cc(S(=O)(=O)N2CCCCC2C(F)(F)F)c(F)cc1F,NRRXRSXWOGSAOQ-UHFFFAOYSA-N
-rxn:4:190178:224398,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1,LICHVQHQTYKTSV-UHFFFAOYSA-N
-rxn:4:190214:222723,COc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,MCOBFJOTVVNSOO-UHFFFAOYSA-N
-rxn:4:190226:223774,COc1ccc(CN2CCC(F)(F)CC2)cc1-c1cc2c(OC)cccc2n1C(=O)OC(C)(C)C,BWVLJGXQEKVFOP-UHFFFAOYSA-N
-rxn:4:190227:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCOCC1,LORPTEHLCUFVCR-UHFFFAOYSA-N
-rxn:4:190294:225329,Cc1cc(C(=O)N2CCC(C(F)(F)F)CC2)c(F)c(-c2ccc(OCC(F)(F)F)c(C#N)c2)c1,RNGHTTQAMLLJCH-UHFFFAOYSA-N
-rxn:4:190325:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(CN3CCCCC3)c(S(C)(=O)=O)c2)CC1,CSRSDBFRHAVTDU-UHFFFAOYSA-N
-rxn:4:190342:222860,CCCCNC(=O)c1ccc(F)c(-c2ccccc2C(C)N2CCCC(C(F)(F)F)C2)c1,OOXGFVVPUWCFBO-UHFFFAOYSA-N
-rxn:4:190354:223945,Cc1cc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,ILJHGMGYGSZMNH-UHFFFAOYSA-N
-rxn:4:190448:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1c(C)cccc1N1CCCC(C(=O)C(C)C)C1=O,MZCRVOWKZPASHB-UHFFFAOYSA-N
-rxn:4:190452:224391,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,LFUBFOGSUWGIPZ-UHFFFAOYSA-N
-rxn:4:190471:223891,Cc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C)cc1-c1c(F)ccc2c1ccn2[Si](C)(C)C(C)(C)C,RQJJJTZIUIGQBF-UHFFFAOYSA-N
-rxn:4:190484:223891,CC(C)(C)[Si](C)(C)n1ccc2c(-c3cccc(C(=O)N4CCC(c5ccccc5Cl)S(=O)(=O)CC4)c3)c(F)ccc21,BSMPJYCNNFWECX-UHFFFAOYSA-N
-rxn:4:190487:222693,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1,FCWNGCOKWYCERN-UHFFFAOYSA-N
-rxn:4:190487:223761,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1-c1ccc(C2CCCN2C(=O)OC(C)(C)C)cc1,HNASEWSBSDUOCI-UHFFFAOYSA-N
-rxn:4:190547:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc3cc(OS(=O)(=O)C(F)(F)F)ncc23)c(C(F)(F)F)c1,RFELUQLQUUCPLT-UHFFFAOYSA-N
-rxn:4:190833:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)cc1,BLLJFBHYUHCUKB-UHFFFAOYSA-N
-rxn:4:190846:222725,CCNS(=O)(=O)c1ccc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c1,RSDONKAUNHLYCS-UHFFFAOYSA-N
-rxn:4:190851:224059,COc1c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc(C(C)(C)C)cc1C(C)(C)C,RUKHDCXXVXKKPW-UHFFFAOYSA-N
-rxn:4:190865:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc2c(c1)C(=O)C(=O)N2CC(=O)C(C)(C)C,SOTRIMNIFXXCHR-UHFFFAOYSA-N
-rxn:4:190927:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3=O)c(C(F)(F)F)c1,KKGXJEMIDUJOQO-UHFFFAOYSA-N
-rxn:4:190930:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2=O,BNJFOHQBFSTJHD-UHFFFAOYSA-N
-rxn:4:190932:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc3c(c2)C(=O)CN(C(=O)OC(C)(C)C)C3)cc1C,HGDZGAFBTCQHSY-UHFFFAOYSA-N
-rxn:4:190933:225126,CC1c2cc(-c3cc(F)ccc3OCC3CCCO3)ccc2C(=O)N1C(=O)OC(C)(C)C,CFRNSRLMYLZYIS-UHFFFAOYSA-N
-rxn:4:190934:222748,CC(C)(C)OC(=O)N1CCc2ccc(-c3cccc(C(=O)NCC4CCCO4)c3)cc2C1=O,YUQFKSOOBPVYNP-UHFFFAOYSA-N
-rxn:4:190964:225364,Cc1cc(F)c(-c2cc(F)c3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)N(C)C,VPHODDQGPRFYHI-UHFFFAOYSA-N
-rxn:4:190965:225259,CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(F)c2c1CCN(C(=O)OC(C)(C)C)C2,FVTQWAIZJRPSQH-UHFFFAOYSA-N
-rxn:4:190975:222901,CCCS(=O)(=O)NCc1ccc(-c2ccc3c(c2)C(F)(F)CCN3C(=O)OC(C)(C)C)cc1,GCVDGGJZQJSUIL-UHFFFAOYSA-N
-rxn:4:190975:224325,CC(C)(C)OC(=O)N1CCC(F)(F)c2cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)ccc21,SRKDCHJEXLQFFP-UHFFFAOYSA-N
-rxn:4:190975:224970,CC(C)(C)OC(=O)N1CCC(F)(F)c2cc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)ccc21,JJWCURGHJRDARR-UHFFFAOYSA-N
-rxn:4:190975:225568,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C(F)(F)CCN3C(=O)OC(C)(C)C)cc1,GUYHCJMEWJLEDL-UHFFFAOYSA-N
-rxn:4:190982:223902,C#CC1OC(=O)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(-c3ccc(OCCN4CCC(C)CC4)c(F)c3)cc21,AGIVSSNQUCSQGE-UHFFFAOYSA-N
-rxn:4:191039:222913,CC(C)(C)OC(=O)N1CC(C)(C)c2cc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)ccc21,VTDIYEBOBKFORY-UHFFFAOYSA-N
-rxn:4:191062:225047,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cnc1N1CCC(C)CC1,ZUFSUDRUVWZHLI-UHFFFAOYSA-N
-rxn:4:191062:227103,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1sccc1C1CCCCC1,LBAIQPOUACDVAJ-UHFFFAOYSA-N
-rxn:4:191087:223762,COC(=O)c1c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c(C)n(Cc2ccccc2)c1C,JUJZSGBGJAIMIH-UHFFFAOYSA-N
-rxn:4:191087:225129,CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c(F)c1,HBVQWGQCNMBDKO-UHFFFAOYSA-N
-rxn:4:191087:225917,CCOC(=O)c1cc(F)c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c(F)c1,FIFUGTKYDIACAV-UHFFFAOYSA-N
-rxn:4:191094:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)C1(CCCC1)C(=O)N2C(=O)OC(C)(C)C,XOOSCHBPISJDDG-UHFFFAOYSA-N
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-rxn:4:212742:224911,Cc1ccccc1Oc1ccccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCCC2)c1,CNUPYWWRVHSXCN-UHFFFAOYSA-N
-rxn:4:212771:223106,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(N4CCC(O)C4)nc3Cl)cc2s1,ZKONXDRAPCKGTK-UHFFFAOYSA-N
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-rxn:4:212935:223814,Fc1cc(CN2CCC3(CC2)OCCO3)ccc1-c1cc(C(F)(F)F)cnc1N1CC(COc2cccnc2)C1,KRDSTTXHWGGMEZ-UHFFFAOYSA-N
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-rxn:4:213011:223945,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,NFLPGOYUDPUBJI-UHFFFAOYSA-N
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-rxn:4:213045:222634,O=C(C1CCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,KWBIWVHQQBPYOG-UHFFFAOYSA-N
-rxn:4:213054:224352,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4ccc(C5CCCOC5)c(C(F)(F)F)c4)c3)C2)nn1,UYGYGJDZHDAZRS-UHFFFAOYSA-N
-rxn:4:213064:224158,CC(C)(C)OC(=O)n1ccc2cc(-c3cncc(C(=O)N4CCC(Oc5ccc(C(F)(F)F)cn5)CC4)c3)ccc21,MCWBCPAEKMNYTH-UHFFFAOYSA-N
-rxn:4:213066:223639,O=C(c1ccc(-c2ccc(N3CCN(Cc4ccccc4)CC3)nc2)o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,ABEQWMFOWAFASF-UHFFFAOYSA-N
-rxn:4:213072:224254,CC1CCCN(C(=O)c2cc(-c3cnn(CC4CCCN(C(=O)OC(C)(C)C)C4)c3)ccc2F)C1,PDWHFZANXHIWLX-UHFFFAOYSA-N
-rxn:4:213080:227464,CCCCSc1ncc(-c2cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,NSEHWPYYPAUORJ-UHFFFAOYSA-N
-rxn:4:213092:226659,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3cnc(N4CCCC4)c(Cl)c3)c2)CC1,CYUFRBKTUQBNHC-UHFFFAOYSA-N
-rxn:4:213128:225733,CCCCOc1cc(-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)c(OC)n2)c(F)cc1F,WTXAKKJLZJJTSY-UHFFFAOYSA-N
-rxn:4:213132:226289,COc1cccc(OC(C)C)c1-c1cnc(OCC2CCCN(C(=O)C(C)(C)C)C2)nc1,XNEVSSOWVVNQAP-UHFFFAOYSA-N
-rxn:4:213147:227464,CCCCSc1ncc(-c2cncc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,JUUVZVZZNDBCTC-UHFFFAOYSA-N
-rxn:4:213188:224880,O=C(c1ccccc1-c1ccccc1CN1CCCCCC1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,IYIUHOTVKATMRR-UHFFFAOYSA-N
-rxn:4:213216:225867,Clc1ncc(-c2cnc(OCC3CCCN(CC4CCCCO4)C3)nc2)cc1N1CCCCC1,CKCIXGWMDQIVJT-UHFFFAOYSA-N
-rxn:4:213220:222704,CC1CN(c2ccc(-c3ccc(C4CCNCC4)c(C(F)(F)F)c3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,YWHLIHDKLPEAED-UHFFFAOYSA-N
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-rxn:4:213301:223695,C#CCn1c(=NC(=O)c2ccc([N+](=O)[O-])o2)sc2cc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)ccc21,LSNRDRRFJJZVNG-UHFFFAOYSA-N
-rxn:4:213324:223537,C#CCn1c(=NC(=O)c2cccc(-c3cc4cc(OC(F)(F)F)ccc4n3C(=O)OC(C)(C)C)c2)sc2cc(S(N)(=O)=O)ccc21,GIMCKEOOQZZGMO-UHFFFAOYSA-N
-rxn:4:213330:222584,COc1ccc(CCC(=O)N2CCc3ncncc3C2)cc1-c1ccc(OCCCN2CCNCC2)c(F)c1,WPZBAPHVOKHWKJ-UHFFFAOYSA-N
-rxn:4:213354:224878,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3ccccc3COC3CCCCC3)cn1)C2,BLNQRTVYYMHMRJ-UHFFFAOYSA-N
-rxn:4:213439:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cccc4c3ccn4CC(=O)N3CCN(C(=O)C4COc5ccccc5O4)CC3)c2)CC1,SQDVDEUVXHWIBM-UHFFFAOYSA-N
-rxn:4:213439:224683,O=C(Cn1ccc2c(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,DZDQQGHJWVPSSA-UHFFFAOYSA-N
-rxn:4:213453:223279,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)N2C1=O,NUFPZASBRIEJPS-UHFFFAOYSA-N
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-rxn:4:213665:223954,CCOC(=O)N1CCN(c2ncccc2-c2ccc(OCCN3CCC(=O)CC3)c(F)c2)CC1,MTNPFNLMSHUQHI-UHFFFAOYSA-N
-rxn:4:213684:224589,CC1CCN(Cc2cc(F)ccc2-c2cnn(CC3CN(CC4CCCO4)C3)c2)CC1,BBOHJZXXOHQYFO-UHFFFAOYSA-N
-rxn:4:213689:222717,COC(=O)C1CCCCN1C(=O)c1c(-c2cc(C)c(F)cc2S(=O)(=O)NC(C)(C)C)cnn1C,OSDUXJPNPKQSND-UHFFFAOYSA-N
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-rxn:4:213723:224741,CCN1CCN(C(=O)Cc2cncc(-c3c(OC)cc(C4OCCO4)cc3OC)c2)CC1,REKGTSWUANDSBQ-UHFFFAOYSA-N
-rxn:4:213739:222711,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncc(Cl)cn4)C3)cc2)cc1S(=O)(=O)NC(C)(C)C,AICNFAVHGQLFJS-UHFFFAOYSA-N
-rxn:4:213752:223827,CCCN1CCN(Cc2ccc(-c3cc(C(F)(F)F)ccc3N3CCN(CC)CC3)nc2)CC1,KCSLUYGGDMWEMY-UHFFFAOYSA-N
-rxn:4:213786:222741,Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CC3)nc(C3CCCNC3)c2)C1,JYPKFJCMEIFQFA-UHFFFAOYSA-N
-rxn:4:213799:222584,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)ncn2)C1,PROLATRXTQHQTI-UHFFFAOYSA-N
-rxn:4:213799:225898,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cnn(CCN4CCOCC4)c3)ncn2)C1,LUYMUUCOLDMBAX-UHFFFAOYSA-N
-rxn:4:213801:224291,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCN4CCOCC4)c(F)c3)n2)C1,ASWHAVSZXAFPHR-UHFFFAOYSA-N
-rxn:4:213803:222961,CCCCNC(=O)c1cccc(-c2cnc(C3COCCN3C(=O)OC(C)(C)C)nc2)c1,PBDXQEMPDNSANH-UHFFFAOYSA-N
-rxn:4:213829:224773,Cc1cc(-c2cnc(OC3CCCN(C(=O)c4ccc(F)c(F)c4F)C3)nc2)ccc1S(=O)(=O)N1CCCC1,JJXNYGBSTDJGKB-UHFFFAOYSA-N
-rxn:4:213893:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3cncc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)cc(F)c2s1,PANJRUMXRUZXRC-UHFFFAOYSA-N
-rxn:4:213894:225975,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cn2)CC1,XLFFFXPRBAPFQH-UHFFFAOYSA-N
-rxn:4:213930:222546,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)cc1F,AWKAREXZLRNXQP-UHFFFAOYSA-N
-rxn:4:213931:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCCC4)C3)c2Cl)CC1,DRMYJQRXAKGRKL-UHFFFAOYSA-N
-rxn:4:213941:224502,Cc1c(-c2cccc(OCC3CCCCN3C)c2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,SYUDAPCVXWHYPY-UHFFFAOYSA-N
-rxn:4:213946:225105,CCN(CC)C(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1F,JMQFWIGSQOBGFQ-UHFFFAOYSA-N
-rxn:4:213972:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,ZLTCUDYGNYLLOA-UHFFFAOYSA-N
-rxn:4:213973:225518,CCCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCSCC2)C1,TVZJVVROONHLLJ-UHFFFAOYSA-N
-rxn:4:213975:226478,COc1ccc(OCC#N)c(-c2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c1,YWZVCQXZPIBFFW-UHFFFAOYSA-N
-rxn:4:214033:225810,COc1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c(C2OCCO2)c1,KNWTXZIYUDDABE-DNQXCXABSA-N
-rxn:4:214033:227831,CCc1c(C)cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc1C,GEANJSSMCCGDDM-JWQCQUIFSA-N
-rxn:4:214050:223382,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2cnc(NC3CC3)nc2)cc1F,DGBKUFLYQCPUBW-CABCVRRESA-N
-rxn:4:214078:225519,CCOC(=O)CCc1ccc(-c2ccc(CN3CCN(CC)CC3)c(N3CCCCC3)c2)cc1,YPCRKXHXZZWLCL-UHFFFAOYSA-N
-rxn:4:214078:226245,CCCCOc1ccc(-c2ccc(CN3CCN(CC)CC3)c(N3CCCCC3)c2)cc1F,CSMCRAICVIVEEO-UHFFFAOYSA-N
-rxn:4:214079:226866,CC(C)N1CCN(Cc2ccc(-c3cc(Cl)cc(OC(F)(F)F)c3)cc2N2CCCC2)CC1,NKJDVRBOTJDION-UHFFFAOYSA-N
-rxn:4:214190:224805,CCOC(=O)c1cc(-c2cccc3c2ccn3CC(=O)N2CCN(C(C)=O)CC2)cc(C(F)(F)F)c1,ZECZILAKZUPDLT-UHFFFAOYSA-N
-rxn:4:214202:226868,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1ncc(-c2ccc(OC(F)(F)F)c(Cl)c2)cn1,UJTXYNGNKNGDAP-JOQOYGCGSA-N
-rxn:4:214234:224743,CC(C)(C)OC(=O)c1cc(F)c(-c2cnc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)c(F)c1,HIKYYXWTHLTWOU-UHFFFAOYSA-N
-rxn:4:214296:225312,CN1CCCN(c2ncc(-c3ccc4nccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cn2)CC1,PAMZDUQJKHBAHP-UHFFFAOYSA-N
-rxn:4:214322:223897,Cc1ccc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)cc2)cc1OCCCN1CCOCC1,YYJYXVAKCAZNLA-UHFFFAOYSA-N
-rxn:4:214379:223312,O=C(c1ccc(-c2ccc(C3CNC3)cc2)o1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1,GKCRKMHMYSLSDQ-UHFFFAOYSA-N
-rxn:4:214446:223660,CN(C)C(=O)Cn1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)n1,RJVRWFIGKBPGBD-UHFFFAOYSA-N
-rxn:4:214630:223816,C[Si](C)(C)CCOCn1c(-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)cc2c(Cl)ccnc21,BDFHPJDBQXTHII-UHFFFAOYSA-N
-rxn:4:214655:224317,CC(C(=O)N1CCC(F)(F)CC1)n1cc(-c2ccc(C(=O)N3CCN(C)CC3)cc2F)cn1,ACSGXOSGUIKUHS-UHFFFAOYSA-N
-rxn:4:214662:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3c(C(=O)N4CCC(C(F)(F)F)CC4)cnn3C)c2)C1,CSBJMJPAZDVLNK-UHFFFAOYSA-N
-rxn:4:214710:223947,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(N(CC)C(=O)OC(C)(C)C)cc3F)c2)CC1,WFBPODBTJGWKSJ-UHFFFAOYSA-N
-rxn:4:214718:225231,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3cnc(Cl)c(N4CCCCC4C)c3)c2)CC1,VORIVJDQVAKWFM-UHFFFAOYSA-N
-rxn:4:214772:223834,Cc1cc(-c2cnc(CC3CCCN(S(C)(=O)=O)CC3)cn2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,HDBNHFUMQLUNQZ-UHFFFAOYSA-N
-rxn:4:214772:223992,Cc1ccc(-c2cnc(CC3CCCN(S(C)(=O)=O)CC3)cn2)cc1S(=O)(=O)N1CCN(C)CC1,SFVNHPZZKOZZIA-UHFFFAOYSA-N
-rxn:4:214772:223993,Cc1cc(-c2cnc(CC3CCCN(S(C)(=O)=O)CC3)cn2)ccc1S(=O)(=O)N1CCN(C)CC1,XAUWCQWAHIYDTP-UHFFFAOYSA-N
-rxn:4:214772:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(CC2CCCN(S(C)(=O)=O)CC2)cn1,RJRQTBBRLWPTGH-UHFFFAOYSA-N
-rxn:4:214786:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccccc2S(=O)(=O)N2CCN(c3cccnc3)C(=O)C2)cc1,OYRQMUBKYXQXOK-UHFFFAOYSA-N
-rxn:4:214820:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)cc2)CC1,RTFMJYBICZIQCR-UHFFFAOYSA-N
-rxn:4:214828:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cccc(C(=O)N3CCC(c4ccn(C)n4)CC3)c2)c1,QZZCMZFKNVBFEI-UHFFFAOYSA-N
-rxn:4:214836:225313,CN1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c(F)n2)CC1,HCXNWCALPKGMOA-UHFFFAOYSA-N
-rxn:4:214837:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)cc1OCC,UVXRRPPRVNZOFR-UHFFFAOYSA-N
-rxn:4:214837:227010,CC(C)OCc1ccccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,ZZZBIAUKWCRSPX-UHFFFAOYSA-N
-rxn:4:214838:226503,CON(C)C(=O)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,KWBGEGABJRDYGO-UHFFFAOYSA-N
-rxn:4:214868:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)CC1,LDRDKYSNFKTAJT-BIBMFLLGSA-N
-rxn:4:214871:227213,CCCCSc1cncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,YBGAQMZBTTVINP-UHFFFAOYSA-N
-rxn:4:214873:222971,CC(C)(C)C(=O)Nc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1,AYRUPFPQUIOVRP-UHFFFAOYSA-N
-rxn:4:214885:227259,COc1ccc(CSC)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(Cl)c1,IADVKQBALQKADN-UHFFFAOYSA-N
-rxn:4:214888:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCC5(CC4)OC(=O)N(c4ccccc4)C5=O)c3)cc2)CC1,RWCAISFQLHSBKO-UHFFFAOYSA-N
-rxn:4:214896:227445,Cc1cc(-c2cnc(Cl)c(C3CCC3)c2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,NYADIGARSWJGJB-UHFFFAOYSA-N
-rxn:4:214897:223738,CC(C)(C)[Si](C)(C)Oc1ccc2cc(-c3ccc(N4C(=O)CC(N5CCN(c6ccccc6)CC5)C4=O)cc3)ccc2c1,SPABQQOASGEBHJ-UHFFFAOYSA-N
-rxn:4:215027:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cnn3c2N(C(=O)OC(C)(C)C)CC3)c1,DOQRRSKXFBWUJJ-UHFFFAOYSA-N
-rxn:4:215099:224488,CC(C)N(C(=O)c1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)[C@H](C)C3)cc1)C(C)C,SRKWDIJEPCILQN-GOSISDBHSA-N
-rxn:4:215107:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CCC3)cc1,AFLBIOMWGRDAQO-UHFFFAOYSA-N
-rxn:4:215110:224937,CCOC(=O)C1(c2ccc(-c3nc(C)n4c3CN(C(=O)OC(C)(C)C)CC4)cc2)CC1,ITSYXYDKQPRZAM-UHFFFAOYSA-N
-rxn:4:215170:223263,CNC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,ZXRHSTQUGWGRMP-UHFFFAOYSA-N
-rxn:4:215170:225076,COC(=O)c1ccc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c2cccnc12,KMVLHAOJQOERMW-UHFFFAOYSA-N
-rxn:4:215184:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,DBXDJGMGSWMPNY-UHFFFAOYSA-N
-rxn:4:215198:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)CC1,ZLZKUCKFODFCQK-UHFFFAOYSA-N
-rxn:4:215301:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)c1,XVQKVCFSNSVKDZ-UHFFFAOYSA-N
-rxn:4:215309:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cccc2c1C(=O)N1CCC[C@H]1c1c(C(=O)OC(C)(C)C)ncn1-2,UGUVPXAGMBMSPN-QFIPXVFZSA-N
-rxn:4:215711:224283,CC(C)(C)Oc1ncc(-c2cncc([N+](=O)[O-])c2N2CCC(F)(F)C2)c(OC(C)(C)C)n1,GWRJPQVIBAVDJE-UHFFFAOYSA-N
-rxn:4:215828:223814,CC1CN(c2ncc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cc2[N+](=O)[O-])CCO1,BYURGDSEKRYXEF-UHFFFAOYSA-N
-rxn:4:215990:222894,CCCCS(=O)(=O)Nc1cccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)c1,NBIDBAICFYCPHG-UHFFFAOYSA-N
-rxn:4:216221:223671,CC(=O)N1CCN(c2nc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3s2)CC1,OTRVXTUZJQGLMY-UHFFFAOYSA-N
-rxn:4:217872:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc4nnn(C5CCCCC5)c4c(F)c3F)ccc2F)CC1,MAZFUVPDHONHJT-UHFFFAOYSA-N
-rxn:4:218600:224160,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cn2)CC1,CEYCWVJIQAECBA-UHFFFAOYSA-N
-rxn:4:218631:226231,CCCCOc1ncc(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)cc1C,RYQQYFAELOOFNU-UHFFFAOYSA-N
-rxn:4:218652:222614,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)cn1,QBZHVXRJTWECOE-UHFFFAOYSA-N
-rxn:4:218653:225307,COc1ccc(N2CC(C(=O)N3CC(Cn4cc(-c5ccc(C6COC6)c(C(F)(F)F)c5)cn4)C3)CC2=O)cc1,VTHNYTHEXODUFX-UHFFFAOYSA-N
-rxn:4:218664:225977,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)C2)cc1,BQEDKAZOILQBQC-UHFFFAOYSA-N
-rxn:4:218681:223171,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4c[nH]nc4-c4ccc(F)cc4)cn3)CC2)CC1,YOMDSEXIBCSBNT-UHFFFAOYSA-N
-rxn:4:218714:224848,CC[C@H]1CC[C@H](c2ccc(-c3c(C)nn(CCC(=O)N4CCN(S(=O)(=O)c5c(C)cc(C)cc5C)CC4)c3C)cc2)CC1,XJYUYDWNAVVSBP-WXUXXXNLSA-N
-rxn:4:218754:223601,COc1ccc(COc2ncc(-c3csc4c(=O)n(C5CCN(C(=O)OC(C)(C)C)CC5)c(=O)n(CC#N)c34)cc2C(F)(F)F)cc1,RSTHKUWTSDBQJS-UHFFFAOYSA-N
-rxn:4:218824:222911,COC(=O)c1cc(NC(C)=O)cc(-c2cnc(N3CC(CN(C)S(=O)(=O)C4CC4)C3)nc2)c1,OVMJZBLGDPWUCA-UHFFFAOYSA-N
-rxn:4:218831:222582,O=C(NCCN1CCOCC1)c1cccc(-c2cnc(OCC3CCN(C(=O)c4cscn4)CC3)nc2)c1,PRKOJXXXXDHJSE-UHFFFAOYSA-N
-rxn:4:218853:222681,CC(C)(C)OC(=O)NCc1cccc(-c2ccccc2CCC(=O)N2CCN(c3cnsn3)CC2)c1F,KMUBUKRXSKWXRN-UHFFFAOYSA-N
-rxn:4:218854:224718,COCc1cn(C2CCN(C(=O)c3cc(-c4ccc(OCCN5CCOCC5)nc4)ccc3Cl)C2)nn1,FCQYSIXCQMZUIQ-UHFFFAOYSA-N
-rxn:4:218868:224426,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)cc2)no1,HIPTWBCSPAPVKA-UHFFFAOYSA-N
-rxn:4:218868:226448,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(Cl)c(C4CCCC4)c3)cc2)no1,UHCCTPYDOHZBBY-UHFFFAOYSA-N
-rxn:4:218868:227103,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3sccc3C3CCCCC3)cc2)no1,UUNYJLCVHMUUSX-UHFFFAOYSA-N
-rxn:4:218881:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnc(OCC3CCCN(C(=O)c4ccncc4)C3)nc2)cc1,JQVLIEGOHQYCQT-UHFFFAOYSA-N
-rxn:4:218885:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5scnc5C)CC4)nc3)c(F)c2)CC1,MTGRXLSGNFKKKV-ALOJWSFFSA-N
-rxn:4:218886:224759,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,OKHGXSOYZSZYHX-UHFFFAOYSA-N
-rxn:4:218898:224670,CN1CCN(Cc2ccc(F)c(-c3cnc(OCC4CCN(C(=O)c5ccncc5F)CC4)nc3)c2)CC1,QXXMGBFOGKSTFP-UHFFFAOYSA-N
-rxn:4:218903:224746,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C#N)c3)cn2)CC1,RDEKUHYMLADUKL-UHFFFAOYSA-N
-rxn:4:218944:226794,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCSCC4)nc3)cc2[N+](=O)[O-])CC1,QXTIOVWIQDXLDO-UHFFFAOYSA-N
-rxn:4:218971:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)c2)CC1,GDHWLJYBQABXBR-UHFFFAOYSA-N
-rxn:4:218972:225313,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)s1,WFUYXTBNNDCCKN-UHFFFAOYSA-N
-rxn:4:218991:226258,CCCOC(=O)c1cccc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1,QJRPGHZOHUCPPS-UHFFFAOYSA-N
-rxn:4:218993:223670,Cc1nc(C)c(CN2CCC(COc3ncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)CC2)s1,SXHDIADHWUUQBJ-UHFFFAOYSA-N
-rxn:4:218994:223595,Cc1nc(C)c(CN2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)s1,DXOXKRPRFXQNHW-UHFFFAOYSA-N
-rxn:4:219012:224886,CC1CCN(Cc2ccc(-c3cnc(N(C)C4CCCN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,RSELFGYHBVIARR-UHFFFAOYSA-N
-rxn:4:219046:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)CC1,MOFMDROFCKSVLA-UHFFFAOYSA-N
-rxn:4:219093:224080,CCC(=O)C1=C(c2ccc(-c3ccc(OCCCN4CCCCC4)cc3)cc2)N(C(=O)CC)n2cnnc2S1,UPEBCBMRESJCCE-UHFFFAOYSA-N
-rxn:4:219129:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)c2)CC1,KPWYPNYZUQAACX-UHFFFAOYSA-N
-rxn:4:219155:222989,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(N5CCNCC5)cc4C)c2)C3)nc1,HWLONDYSEHJJPS-UHFFFAOYSA-N
-rxn:4:219238:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(OC4CCN(C(=O)c5ccno5)C4)nc3)cn2)CC1,IHNYSWAMKDDTCI-UHFFFAOYSA-N
-rxn:4:219294:222546,Cc1nc(C(=O)N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)cs1,LUPDQOUSOGNMEK-UHFFFAOYSA-N
-rxn:4:219381:222634,CSc1ncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,IEZUKNDOPAWFQE-UHFFFAOYSA-N
-rxn:4:219381:224916,CSc1ncc(-c2ccc(N3CCCC(C)C3)cc2C)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,QGBGPNSTTWCBDN-UHFFFAOYSA-N
-rxn:4:219431:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)CC1,DVZJSBKBDWOGDE-UHFFFAOYSA-N
-rxn:4:219431:224404,O=S(=O)(c1ccc(-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)cc1F)N1CCOCC1,JYDCZHAEQKVZOW-UHFFFAOYSA-N
-rxn:4:219456:224483,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc(OCCN3CCCCC3)cc2)n1,VEYJJGAKLSWJBZ-UHFFFAOYSA-N
-rxn:4:219462:227243,CC(=O)OCc1cccc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)c1,MWALNUAVISRNHY-UHFFFAOYSA-N
-rxn:4:219473:222685,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1cc(NC(=O)OC(C)(C)C)c(F)cc1C,QYHGVPXYJCOGDS-UHFFFAOYSA-N
-rxn:4:219488:222948,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnc(N3CCC(O)CC3)nc2Cl)cn1,MHVGHKAFMKYWCV-HNNXBMFYSA-N
-rxn:4:219500:226498,CCN(CC)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)cc1Cl,PJYKAYLMSXABID-UHFFFAOYSA-N
-rxn:4:219527:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cncc(C(=O)N4CCC(c5nnc(-c6ccc(F)cc6)o5)CC4)c3)cc2C1,POLKJZWSRJQONF-UHFFFAOYSA-N
-rxn:4:219540:223809,Cc1cc(N(C)C2CCN(C(=O)c3ccccc3-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)CC2)ncn1,ATLIVKOIFHGYKE-UHFFFAOYSA-N
-rxn:4:219541:224316,Cc1cnc(N(C)C2CCCN(C(=O)c3ccccc3-c3cc(F)cc(C(=O)N4CCN(C)CC4)c3)C2)nc1,WJQIHPFWSQMSIQ-UHFFFAOYSA-N
-rxn:4:219543:225600,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cccnc4OC4CCCCC4)cc3)CC2)n1,MRGUCNYQRILQSD-UHFFFAOYSA-N
-rxn:4:219552:225329,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(OCC(F)(F)F)c(C#N)c1,MOXDWNTZJTWAJG-UHFFFAOYSA-N
-rxn:4:219565:225357,CCOc1cc(-c2ccc(S(=O)(=O)N3CCCN(c4nc(C)cc(C)c4C#N)CC3)cc2)c(F)c(C(F)(F)F)c1,CRUHHMWFWOVAOA-UHFFFAOYSA-N
-rxn:4:219565:226424,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(N5CCCC(C)C5)cs4)cc3)CC2)n1,MZHJMCWUSIZDLS-UHFFFAOYSA-N
-rxn:4:219565:226425,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5C)s4)cc3)CC2)n1,PUTUHEOPBUVTJM-UHFFFAOYSA-N
-rxn:4:219565:226426,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCC(C)CC5)s4)cc3)CC2)n1,SSMBPHNSCQJRMU-UHFFFAOYSA-N
-rxn:4:219565:226427,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(N5CCC(C)CC5)cs4)cc3)CC2)n1,QHKVGEMPMKHEDV-UHFFFAOYSA-N
-rxn:4:219565:226429,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCC(C)C5)s4)cc3)CC2)n1,FURJAXLGECGPLE-UHFFFAOYSA-N
-rxn:4:219565:227119,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cc(C5CCCCC5)cs4)cc3)CC2)n1,ZJAQGDJYTFOWJU-UHFFFAOYSA-N
-rxn:4:219623:224178,CN1CCN(CCOc2cccc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cccc6nsnc56)CC4)o3)c2)CC1,DJUPPJBCIGPBBK-UHFFFAOYSA-N
-rxn:4:219624:222730,CCCc1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)o2)cc(C2CCNCC2)n1,MSJUYUBNOCFVIZ-UHFFFAOYSA-N
-rxn:4:219626:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c4nonc34)CC2)o1,CKVRWMKGYWAVPU-UHFFFAOYSA-N
-rxn:4:219653:223985,COc1ccc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc1S(=O)(=O)N1CCCCC1,YOTFAGOYMDUVCA-UHFFFAOYSA-N
-rxn:4:219654:223985,COc1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)cc1S(=O)(=O)N1CCCCC1,XTYWNWUVIKNWBP-UHFFFAOYSA-N
-rxn:4:219654:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)CC1,WWNIWOWRYWEWLK-UHFFFAOYSA-N
-rxn:4:219706:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)c2)CC1,UHJTVIKJAFDSBT-UHFFFAOYSA-N
-rxn:4:219748:224764,O=C(c1ccc(-c2ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N5CCCCCC5)cc4n3)cc2)c(F)c1)N1CCOCC1,PGJSOXFWBRKIEL-UHFFFAOYSA-N
-rxn:4:219861:223602,Cc1c(C(=O)N2CC(n3nccn3)C2)cccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,SAGGRZFIUVPLIM-UHFFFAOYSA-N
-rxn:4:219861:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(C(=O)N4CC(n5nccn5)C4)c3C)c2)CC1,YNDYXGRABRKTAL-UHFFFAOYSA-N
-rxn:4:219903:223602,CC(C)N1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2[N+](=O)[O-])CC1,UWKYFQAOXWHKLH-UHFFFAOYSA-N
-rxn:4:219904:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,DOYKLOSFCXIFHT-UHFFFAOYSA-N
-rxn:4:219904:225339,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3cc(F)ccc3COCC(F)(F)F)cn2)CC1,GXJJYSGOCDUWIU-UHFFFAOYSA-N
-rxn:4:219934:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)nc3)cc2F)CC1,KBGAGYYCAVDJAL-UHFFFAOYSA-N
-rxn:4:219952:223977,Cc1cc(-n2nnc(C(=O)N3CCCC3)c2C)ccc1-c1cc(C(F)(F)F)ccc1C(=O)OC(C)(C)C,DVCXSXZDBFCCOJ-UHFFFAOYSA-N
-rxn:4:219975:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)cc1OCC,AQUNRXOLIUSFCB-UHFFFAOYSA-N
-rxn:4:219988:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)c2)CC1,LNSYRBWPYZNZOD-UHFFFAOYSA-N
-rxn:4:219988:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1OCC,ONZZRHGYWFCASG-UHFFFAOYSA-N
-rxn:4:220112:223697,Cn1c(=O)c2c(nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)n2CC=Cc2ccccc2)n(C)c1=O,CMUKNLSZKNECMJ-UHFFFAOYSA-N
-rxn:4:220133:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2nccn2)C3)c1,OWYSPDOYKKQNGR-UHFFFAOYSA-N
-rxn:4:220136:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cc2C1,OBOXOPYNXQZYSW-UHFFFAOYSA-N
-rxn:4:220156:225167,O=C(c1cc(F)cc(-c2ccc(C3Cn4nnc(C(=O)N5CCSCC5)c4CO3)cc2)c1)N1CCCC1,JVSSWYWHRSRBBK-UHFFFAOYSA-N
-rxn:4:220228:223660,Cc1nc(-c2c3n(c(=O)n(Cc4cccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)s5)c4)c2=O)CCCCC3)no1,JBRGQVMLEQHMDJ-UHFFFAOYSA-N
-rxn:4:220417:222447,COc1ccc2c(c1-c1ccc(N3CCN(c4nc(C)ns4)CC3)cc1)N=C(NC(=O)OC(C)(C)C)C2,GJQQYNDDCBGWKP-UHFFFAOYSA-N
-rxn:4:220470:223521,CC(c1cccc(-c2cncc(C(=O)N3CCn4nccc4C3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,HWVMMZPCBQXNAN-UHFFFAOYSA-N
-rxn:4:220470:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C(=O)N4CCn5nccc5C4)c3)s2)CC1,CQAFQEWKYHECNC-UHFFFAOYSA-N
-rxn:4:220936:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cn3ccnc3c(N3CCOCC3)n2)CC1,GLRUXEYIIHFANB-UHFFFAOYSA-N
-rxn:4:220936:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cn3ccnc3c(N3CCOCC3)n2)CC1,HZQFZMJUHOCJFX-UHFFFAOYSA-N
-rxn:4:221094:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)c1,SDMGYHXXDDFGBG-UHFFFAOYSA-N
-rxn:4:221100:222938,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cccc(C(=O)NCC(F)(F)F)c3)cn2)CC1,LRMPLEYPELUSRJ-UHFFFAOYSA-N
-rxn:4:221100:225126,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(F)ccc3OCC3CCCO3)cn2)CC1,WBRADEUCGJUDAS-UHFFFAOYSA-N
-rxn:4:221103:223930,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cc5cnn(C(=O)OC(C)(C)C)c5cc4C)cn3)C2)cn1,ARTUCHFGSYYBBW-UHFFFAOYSA-N
-rxn:4:221103:225519,CCOC(=O)CCc1ccc(-c2cnc(OCC3CCCN(C(=O)Cn4cnc(C)cc4=O)C3)nc2)cc1,XVDKQFGEYDLUNC-UHFFFAOYSA-N
-rxn:4:221115:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,DWQHRSGETZQDMA-UHFFFAOYSA-N
-rxn:4:221121:224482,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(OCCCN6CCCC6)c5)ccc43)CC2)CC1,DKMZJMUSBGIEQZ-UHFFFAOYSA-N
-rxn:4:221121:228038,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)ncn6C)ccc43)CC2)CC1,ZGCZZFDDNHSMGI-UHFFFAOYSA-N
-rxn:4:221152:224324,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(F)c(C(=O)N4CCC(=O)CC4)c3)cn2)C1,MAYQMFCZEJEESE-UHFFFAOYSA-N
-rxn:4:221172:222584,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)ccc1=O,PMTRAZUOPUFTNJ-UHFFFAOYSA-N
-rxn:4:221172:224975,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5ccc(=O)n(C)n5)CC4)nc3)cc2)CC1,ZUHXKROMWKVZQF-UHFFFAOYSA-N
-rxn:4:221172:225093,CCCOc1c(Cl)cc(-c2cnc(OCC3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)nc2)cc1OCC,FPNBXXIQKCJCQJ-UHFFFAOYSA-N
-rxn:4:221173:225114,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4csc(CO[Si](C)(C)C(C)(C)C)c4)cn3)C2)ccc1=O,GGEANJOPZKNPOM-UHFFFAOYSA-N
-rxn:4:221179:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)cc2F)CC1,SRDDQPMKGYXEHF-UHFFFAOYSA-N
-rxn:4:221198:225992,CC(C)Cn1cc(-c2cnc(N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)nc2)c(C(F)(F)F)n1,HMJMLBQBMWZPJJ-UHFFFAOYSA-N
-rxn:4:221267:225347,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(OC(C)C)c(C(F)(F)F)c3)cc2)n(C)c1=O,MPUUPGUBXLOJTQ-UHFFFAOYSA-N
-rxn:4:221313:223970,Cc1ccc(-c2cncc(C(=O)N3CC(S(=O)(=O)c4nncn4C)C3)c2)cc1S(=O)(=O)N1CCC(C)CC1,WDAMUWFVGAQSPC-UHFFFAOYSA-N
-rxn:4:221320:223992,Cc1ccc(-c2cnn(CC3CN(C(=O)c4ccc(=O)n(C)n4)C3)c2)cc1S(=O)(=O)N1CCN(C)CC1,RSLALFQOGAQMRB-UHFFFAOYSA-N
-rxn:4:221320:223993,Cc1cc(-c2cnn(CC3CN(C(=O)c4ccc(=O)n(C)n4)C3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,PLGPTLUJEINSRX-UHFFFAOYSA-N
-rxn:4:221320:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnn(CC2CN(C(=O)c3ccc(=O)n(C)n3)C2)c1,AJSFNUYWPJRYCI-UHFFFAOYSA-N
-rxn:4:221360:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1,YNVNFQPGHKRFNM-UHFFFAOYSA-N
-rxn:4:221395:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)CC1,KXLHCYQLNVNXGZ-UHFFFAOYSA-N
-rxn:4:221395:224318,CN1CCN(C(=O)c2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2F)CC1,NOODAFRJEAVPPV-UHFFFAOYSA-N
-rxn:4:221414:223135,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4cccnc4C4CCCNC4)c3)CC2)cn1C,CESWFTITMOEYAL-UHFFFAOYSA-N
-rxn:4:221415:226425,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCCCC5C)s4)cc3)CC2)n1,XEUPLIFXAJURHX-UHFFFAOYSA-N
-rxn:4:221416:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)o1,LFCIXPJZBJZEJM-UHFFFAOYSA-N
-rxn:4:221423:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,KIHFZQREYYPUFQ-UHFFFAOYSA-N
-rxn:4:221424:226652,Cc1cc(-c2cccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)n(C2CCCCO2)n1,VKMVHQNLFZEVST-UHFFFAOYSA-N
-rxn:4:221428:222933,CC(C)(C)OC(=O)Nc1ncc(-c2ccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)cn1,AVYVLPMZTIPYHW-UHFFFAOYSA-N
-rxn:4:221446:226303,CCCC(=O)c1ccc(Cl)c(-c2ccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,JQYOEFGJIAFXJI-UHFFFAOYSA-N
-rxn:4:221449:222844,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)C5CCCC5)c4)cc3)CC2)n1,MEEZTMMGAMIEIP-UHFFFAOYSA-N
-rxn:4:221449:223239,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,HECGAVJVJHUPBW-UHFFFAOYSA-N
-rxn:4:221455:225730,CCCCOc1c(Cl)ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)c1F,SKXXFPNLAIPEEY-UHFFFAOYSA-N
-rxn:4:221456:223992,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)CC2)n1,MUNUTDIEICDPHJ-UHFFFAOYSA-N
-rxn:4:221456:223993,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(C)c4)cc3)CC2)n1,QSAXATVHGNFOOK-UHFFFAOYSA-N
-rxn:4:221456:223994,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4C)cc3)CC2)n1,BHDWKVNLPMHVSG-UHFFFAOYSA-N
-rxn:4:221456:224379,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4S(=O)(=O)N4CCN(C)CC4)cc3)CC2)n1,UTGHAPNZBWNEOP-UHFFFAOYSA-N
-rxn:4:221456:227269,CCOc1cccc(OC)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,HUGCAKPVEMGKFJ-UHFFFAOYSA-N
-rxn:4:221528:225898,CC(C)c1sc(-c2cnn(CCN3CCOCC3)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,UTBFJLYFFALXGK-UHFFFAOYSA-N
-rxn:4:221645:224373,COc1ccc(-c2cnc(N3CCC(n4nc(C(C)(C)C)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCCC1,IVZFZAXQDXEJNL-UHFFFAOYSA-N
-rxn:4:221781:222602,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(CC(C)C)sc4S(=O)(=O)NC(C)(C)C)cc3)c(=O)n2C)c1C,VHTFPCYOCTXSFB-UHFFFAOYSA-N
-rxn:4:221947:222584,O=C(c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)o1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1,AOGRGQSVXOWVTK-UHFFFAOYSA-N
-rxn:4:221965:223255,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NOC)c5)cc4)CC3)nn2)CC1,JJOPDUJLNFGTIU-UHFFFAOYSA-N
-rxn:4:221965:225760,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N(C)CC)cc5F)cc4)CC3)nn2)CC1,QWLVGNTXZVSMOI-UHFFFAOYSA-N
-rxn:4:221965:227975,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc([Si](C)(C)C)c5)cc4)CC3)nn2)CC1,QYOCEHACHYFNQG-UHFFFAOYSA-N
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-rxn:4:221977:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)cc2F)CC1,AKVOYOKXZMCTJD-UHFFFAOYSA-N
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-rxn:4:222029:222969,CN(C)c1ccnc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(C(=O)NCC4CC4)cc3)CC2)n1,MSDZWXIKSAZZMH-UHFFFAOYSA-N
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-rxn:4:222297:222634,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5ccc(OCCNC6CCCC6)c(F)c5)o4)CC3)ncnc21,IBVJCXUIONFGML-UHFFFAOYSA-N
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-rxn:4:222351:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCN(c4ccc5nc(C(C)(C)C)cn5n4)CC3)nc2)CC1,ZFFZOWAWTDHVSZ-UHFFFAOYSA-N
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-rxn:4:222613:197892,CCCNS(=O)(=O)c1ccc(-c2cccc3c2CN(C(C)(C)C)S3(=O)=O)c(C(F)(F)F)c1,SXLPYQRCPYTSCQ-UHFFFAOYSA-N
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-rxn:4:222723:218799,N#Cc1nccnc1OC1CCN(C(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)o2)C1,IYSJQXPBQLFQTA-UHFFFAOYSA-N
-rxn:4:222723:218915,Cc1nc(CN2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)cs1,LDOYRVRSSRKGCY-UHFFFAOYSA-N
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-rxn:4:223080:185045,CC(C)NS(=O)(=O)c1ccc(-c2cc(OC3CN(C(=O)OC(C)(C)C)C3)ccc2Cl)cc1,UCTSRDDFAYZKME-UHFFFAOYSA-N
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-rxn:4:223570:204722,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,OMQSYZSHHHHYTF-UHFFFAOYSA-N
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-rxn:4:223920:176097,CN(C(=O)c1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)c(F)c2)c(Cl)c1)C1CCCCC1,SEMRTKHYZMXPLT-UHFFFAOYSA-N
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-rxn:5:177191:223064:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCNCC5)nc4F)c3)c2F)CCC1,NKMOFKSZFAAMNZ-UHFFFAOYSA-N
-rxn:5:177373:226583:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(OCC2OCCO2)c(-c2ccc(CN3CCOCC3)s2)c1,XFVZDMSJSWEOFO-UHFFFAOYSA-N
-rxn:5:177373:227803:225978,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1OCC1OCCO1,JATXITYDLTUUPR-UHFFFAOYSA-N
-rxn:5:177730:225439:226679,CC(c1cccc(-c2ccc(-c3cnc(N4CCCC4)cc3F)c(C(=O)OC(C)(C)C)c2)c1)N1CCCC1,HCJGPXHWSJWAGZ-UHFFFAOYSA-N
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-rxn:5:177731:225982:225976,CC(C)(C)OC(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cnc(N2CCOCC2)cc1F,NQPWQMRHZLJXQY-UHFFFAOYSA-N
-rxn:5:177732:225438:226664,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cc(N3CCCC3)ncc2F)cc1)N1CCCC1,FXXJFYCEBQALIC-UHFFFAOYSA-N
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-rxn:5:177732:225515:226794,CC1(C)COc2cccc(-c3ccc(C(=O)OC(C)(C)C)cc3-c3cnc(N4CCSCC4)nc3)c2OC1,UEEJTTNFPWLXAF-UHFFFAOYSA-N
-rxn:5:177732:226663:225849,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCSCC3)nc2)c(-c2cnc(N3CCCCC3)cc2F)c1,AKFTXDZUPQKBBT-UHFFFAOYSA-N
-rxn:5:177733:223054:227375,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(N4CCCC4)nc3)c2)s1)N1CCC(O)C1,DRUIIHXVOONKRC-UHFFFAOYSA-N
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-rxn:5:177734:223054:223294,Cc1cc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2csc(N3CCNCC3)n2)cc1C(=O)OC(C)C,CZRSWDWRNFYSIP-UHFFFAOYSA-N
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-rxn:5:177891:227438:225456,CN1CCC(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCOC4)c3)cc2)CC1,FJTOWMRSZAPNFO-UHFFFAOYSA-N
-rxn:5:177891:227438:225602,N#CC1(c2ccc(F)c(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCOC4)c3)c2)CCC1,XJDGTXGGMZFKJT-UHFFFAOYSA-N
-rxn:5:177891:227444:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cncc(C2CCCO2)c1,YRNKSSDJCVRLFY-UHFFFAOYSA-N
-rxn:5:177891:227491:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1cnc(OC2CCC2)nc1,XTMRLFISQRJAES-UHFFFAOYSA-N
-rxn:5:177891:227517:227437,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCCO2)c1)c1ccccc1-c1ccc(OC2COC2)nc1,YMYGFJPBIXTBKT-UHFFFAOYSA-N
-rxn:5:177891:227625:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1cnc(C2CCCO2)nc1,BNTNGDNPWCTJLG-UHFFFAOYSA-N
-rxn:5:177891:227626:226643,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)nc1)c1ccccc1-c1cnc(C2CCOC2)nc1,SECOBVFXZZVYSS-UHFFFAOYSA-N
-rxn:5:177891:227654:225655,CC1CCN(c2cncc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(C4OCCO4)nc3)c2)CC1,HBHAMSXDVNNFRY-UHFFFAOYSA-N
-rxn:5:177891:227684:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1cnn(CC2OCCO2)c1,PAKDMVBDLSBDDI-UHFFFAOYSA-N
-rxn:5:178118:223294:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2csc(N3CCNCC3)n2)c(OCC2CCCCO2)c1,RSUXUENEUJTGEQ-UHFFFAOYSA-N
-rxn:5:178120:225805:227710,CC(c1ccc(-c2cccc(OCC3CCOCC3)c2-c2ccc(OS(C)(=O)=O)cc2)s1)N1CCOCC1,XHRLGBVSOCFPEX-UHFFFAOYSA-N
-rxn:5:178121:225803:227297,CN(C)Cc1ccc(F)c(-c2cccc(OCC3CCOCC3)c2-c2ccnc(OC3CCOCC3)c2)c1,XUTLTBOZGDUIRF-UHFFFAOYSA-N
-rxn:5:178295:226191:227071,COCc1cc(C)c(-c2ccc(-c3cc(C4CCCC4)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,RUDLDFQWBWUDND-UHFFFAOYSA-N
-rxn:5:178295:226844:223311,COC(=O)C1(c2cc(-c3cccc(C4CNC4)c3)ccc2-c2ccnc(C(=O)C(F)(F)F)c2)CCC(=O)CC1,FWFYBYZBDKYWJC-UHFFFAOYSA-N
-rxn:5:178295:226911:228428,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(OC)cc(F)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,UEEGKNQXEVRAAJ-UHFFFAOYSA-N
-rxn:5:178295:226920:228005,COC(=O)C1(c2cc(-c3cc(C)c(SC)cc3C)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,LZALGERXNACZHX-UHFFFAOYSA-N
-rxn:5:178295:227076:228242,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C)c(F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,VRXNQMZSWDVKCP-UHFFFAOYSA-N
-rxn:5:178295:227076:228407,CCC(C)c1ccc(F)c(-c2ccc(-c3c(OC)ccc(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HZGJYQJEUAGYMZ-UHFFFAOYSA-N
-rxn:5:178295:227079:227933,CCc1ccc(OC)cc1-c1ccc(-c2cc(CC(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,RWEFALOWVCCIJT-UHFFFAOYSA-N
-rxn:5:178295:227309:225512,CCC(C)c1cc(-c2ccc(-c3cccc4cc([Si](C)(C)C)sc34)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,UZLWMZUXBXPGPV-UHFFFAOYSA-N
-rxn:5:178295:227432:223089,COC(=O)C1(c2cc(-c3ccc4[nH]c(C(F)(F)F)nc4c3)ccc2-c2ccc(C3COC3)nc2C)CCC(=O)CC1,FPISSWBLPYROAZ-UHFFFAOYSA-N
-rxn:5:178295:227540:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,LOMZXSAPAJDFSX-UHFFFAOYSA-N
-rxn:5:178295:227540:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,KHICLZAQPZAXKY-UHFFFAOYSA-N
-rxn:5:178295:227724:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(OC(F)F)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,GIICCRDAZFGFDG-UHFFFAOYSA-N
-rxn:5:178295:228261:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2c(SC)ccc(F)c2C)CCC(=O)CC1,JBULULWJVMARGL-UHFFFAOYSA-N
-rxn:5:178295:228965:223062,COC(=O)C1(c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc([N+](=O)[O-])nc2)CCC(=O)CC1,DMIRTEFHTFXMOI-UHFFFAOYSA-N
-rxn:5:178313:223203:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3(O)CCC3)c2)c(-c2cc(C3CCCCC3)ccc2F)c1,ZXBXFOYQXVBJLH-UHFFFAOYSA-N
-rxn:5:178313:223286:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(NS(C)(=O)=O)c2)c(-c2cc(C3CCCCC3)ccc2F)c1,PABOBYHRLRFQAE-UHFFFAOYSA-N
-rxn:5:178313:225394:226432,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2ccc(C3CCCC3)nc2F)c1,RDQHIDVMZHTTMT-UHFFFAOYSA-N
-rxn:5:178313:225407:227419,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C3CCC3)nc2F)c1,QDRCPZHPRDWFMZ-UHFFFAOYSA-N
-rxn:5:178313:225450:227107,Cc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C(=O)C3CCCC3)cc2)c(F)c(C2CC2)c1,XYBAZOMTDSSWKV-UHFFFAOYSA-N
-rxn:5:178313:225451:227713,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCCC3)cc2)c(-c2cc(F)ccc2OC(F)F)c1,MROYXGRHLDKPFH-UHFFFAOYSA-N
-rxn:5:178313:225498:227066,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCCC3)ccc2F)c(-c2cccc(C(=O)C3CC3)c2)c1,BAVPTZAJKRDAJW-UHFFFAOYSA-N
-rxn:5:178313:226062:226062,CC(C)c1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cc(C(C)C)cc(C(C)C)c2)cc(C(C)C)c1,GCNZNTHRBKJCOA-UHFFFAOYSA-N
-rxn:5:178313:226062:226191,CC(C)c1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cc(C3CCCC3)ccc2F)cc(C(C)C)c1,GXOLNRGGVRGSPV-UHFFFAOYSA-N
-rxn:5:178313:226146:225679,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCC3)cc2)c(-c2ccc(N3CCCCC3)cc2F)c1,YNFFOPMJBLPHAO-UHFFFAOYSA-N
-rxn:5:178314:226060:226155,CC(=O)c1cc(-c2ccc(-c3cc(C4CC4)cc(C4CC4)c3)cc2O[Si](C)(C)C(C)(C)C)cc(C2CC2)c1,QBIIAKGOIUCNCH-UHFFFAOYSA-N
-rxn:5:178314:226060:226190,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CC3)cc(C3CC3)c2)ccc1-c1ccc(C2CCCC2)cc1F,CQFRJAVCZQKKKU-UHFFFAOYSA-N
-rxn:5:178315:225450:227100,Cc1cc(C2CC2)cc(F)c1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(C(=O)C3CCCC3)cc2)c1,UZQBKGPXTPMKLR-UHFFFAOYSA-N
-rxn:5:178315:225453:227089,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCCC3)c2)cc(-c2ccncc2C2CCCC2)c1,PWCKMZJAIORNCC-UHFFFAOYSA-N
-rxn:5:178315:225677:226919,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3CCCC3)c2)cc(-c2ccc(C3CCCCC3)nc2F)c1,ZAONMGHHUQGXHW-UHFFFAOYSA-N
-rxn:5:178315:226059:225450,CC(C)c1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(C(=O)C4CCCC4)cc3)c2)c(C(C)C)c1,SGGWYFTWTQAOGJ-UHFFFAOYSA-N
-rxn:5:178315:226069:226190,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3CCCCC3)c2)cc(-c2ccc(C3CCCC3)cc2F)c1,XLBVASDOAABNCB-UHFFFAOYSA-N
-rxn:5:178315:226146:225679,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCC3)cc2)cc(-c2ccc(N3CCCCC3)cc2F)c1,FNDIIZLKKDEAQL-UHFFFAOYSA-N
-rxn:5:178315:226189:226432,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCC3)c(F)c2)cc(-c2ccc(C3CCCC3)nc2F)c1,SNEUKFKBTXDTGL-UHFFFAOYSA-N
-rxn:5:178466:223062:225656,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cncc(N2CCCCC2C)c1,PCKASDSTRYXJBX-UHFFFAOYSA-N
-rxn:5:178466:225784:223061,CC(C)OC(=O)c1sc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1cc(C2CCNCC2)ncc1F,YRHMOOSIOPEZKK-UHFFFAOYSA-N
-rxn:5:178466:225834:223065,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccc(N2CCNCC2)cc1F,GYZFXMPNBQDLNH-UHFFFAOYSA-N
-rxn:5:178466:225834:225980,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1cc(N2CCOCC2)ncc1F,SHSSHZJDYQERBP-UHFFFAOYSA-N
-rxn:5:178466:225982:223062,CC(C)OC(=O)c1sc2cc(-c3cnc(N4CCOCC4)cc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,BSGOYNPOGBSEAQ-UHFFFAOYSA-N
-rxn:5:178467:223058:228692,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)s3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,JKOQPTJSBUQGDT-UHFFFAOYSA-N
-rxn:5:178467:223135:226148,CCOC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3cccnc3C3CCCNC3)c2OC1,ANSLTWRTDOUGNK-UHFFFAOYSA-N
-rxn:5:178467:223138:225631,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)cc3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,CEOJSHWBDAWGCX-UHFFFAOYSA-N
-rxn:5:178467:223294:227518,CCOC(=O)C1=Cc2cc(-c3ccc(OC)c(C#N)c3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,HSPXOYWOMGYXIG-UHFFFAOYSA-N
-rxn:5:178467:223340:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3ccc4c(c3)NCCO4)c2OC1,BNAUTDYFJIDPFW-UHFFFAOYSA-N
-rxn:5:178467:223421:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3ccc(C(C)NC)s3)c2OC1,DHBPZQBENCXRFK-UHFFFAOYSA-N
-rxn:5:178467:225602:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2OC1,SSNLCQJZWWLBMA-UHFFFAOYSA-N
-rxn:5:178467:225602:227377,CCOC(=O)C1=Cc2cc(-c3cncnc3C3CCCC3)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2OC1,LEBHXMLOKVPKIA-UHFFFAOYSA-N
-rxn:5:178467:225806:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3cnc(OC4CCCC4)cc3F)c2OC1,XPHYHTTWXQAGFF-UHFFFAOYSA-N
-rxn:5:178467:225833:227970,CCOC(=O)C1=Cc2cc(-c3ccncc3C(C)(C)C)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,IWTQQVIFPAJNLE-UHFFFAOYSA-N
-rxn:5:178467:225849:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,KXUSLPPDASOMLL-UHFFFAOYSA-N
-rxn:5:178467:225874:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3ccc(F)c(N4CCOCC4)c3)c2OC1,MPISMAPHNIXNCI-UHFFFAOYSA-N
-rxn:5:178467:225976:228878,CCOC(=O)C1=Cc2cc(-c3cnn(C4COC4)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,IIVZZJOUANAXMC-UHFFFAOYSA-N
-rxn:5:178467:225982:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,WUYVMRRNZQFHQR-UHFFFAOYSA-N
-rxn:5:178467:226644:227387,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCC4)c3)cc(-c3cncc(N4CCOCC4)c3)c2OC1,ZPJMMYZXSCWOCW-UHFFFAOYSA-N
-rxn:5:178467:227303:226663,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cccc(CN(C)C)c3F)c2OC1,ZNTYUKVEGSGMAT-UHFFFAOYSA-N
-rxn:5:178467:227496:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3cnc(N(C)CC)cc3F)c2OC1,WJLYZGHICREJJB-UHFFFAOYSA-N
-rxn:5:178467:227702:226729,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCOC4)nc3)cc(-c3cc(C(=O)OC)cnc3F)c2OC1,FYTMQWCAQBEWFE-UHFFFAOYSA-N
-rxn:5:178467:227803:228349,CCOC(=O)C1=Cc2cc(-c3cnn(C4CCOC4)c3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,IYXMKETXTJELMP-UHFFFAOYSA-N
-rxn:5:178467:228974:225394,CCOC(=O)C1=Cc2cc(-c3cc(C4CCC4)cc(C4CC4)c3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,ZQFGMWXELRBFGX-UHFFFAOYSA-N
-rxn:5:179417:223054:225620,CCS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2ccc(OC3CCOCC3)cc2)c1,MLIJEARTNIEPFW-UHFFFAOYSA-N
-rxn:5:179418:225805:225445,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccccc2OC2CCCCC2)s1)N1CCOCC1,WQQDDPVKMRNGRB-UHFFFAOYSA-N
-rxn:5:179629:227656:225607,COc1ccc(-c2cc(N3CCOCC3)cs2)c(S(C)(=O)=O)c1-c1ccc(C(C)N2CCCCC2)s1,HLLAGRKXUDXJQV-UHFFFAOYSA-N
-rxn:5:180020:225944:226135,Cc1cc(C#N)c(C2CC2)cc1-c1ccc(OC2CCCC2=O)c(-c2c(F)cc(F)c(OC(C)C)c2F)c1,JKELIBWGFWEVPL-UHFFFAOYSA-N
-rxn:5:180022:225985:226425,COc1c(-c2ccc(N3CCCCC3C)s2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,NJALWFKECWCWAK-UHFFFAOYSA-N
-rxn:5:180022:226330:225986,COc1c(-c2ccccc2N2CCCS2(=O)=O)ccc(-c2ccc(C(C)N3CCCC3)s2)c1C1OCCO1,KSSRKPNTUGANRK-UHFFFAOYSA-N
-rxn:5:180297:223000:227507,COc1cc(-c2ccc(C3CCCNC3)c(F)c2)c(C2(C)OCCO2)cc1-c1cccc(C=C[N+](=O)[O-])c1,NQIUFMDJDYSFNR-UHFFFAOYSA-N
-rxn:5:180377:225849:225871,CC(C)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc(C(C)C)c1-c1cnc(N2CCCCC2)cc1F,OYSXFJRPPQUVDQ-UHFFFAOYSA-N
-rxn:5:180421:226366:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1ccnc(N2CCCCC2)c1,OWOOTNKEPDXYMG-UHFFFAOYSA-N
-rxn:5:180506:228160:223082,CCOc1cccc(F)c1-c1cc(C(C)(C)C)cc(C2OCCO2)c1-c1cc(C)c(S(=O)(=O)NC)c(C)c1,DXQZBIVMEVAVFL-UHFFFAOYSA-N
-rxn:5:180602:222980:223010,COC(=O)C1Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3ccc(CN4CCNCC4)cc3)c2O1,VDHORSXJAHKUJM-UHFFFAOYSA-N
-rxn:5:180662:222405:223136,COC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3cccc(C4NC(=O)NC4=O)c3)c2OC1,YTEQKRUULRCEPP-UHFFFAOYSA-N
-rxn:5:180662:223010:223201,COC(=O)C1=Cc2cc(-c3ccccc3C3CCNC3)cc(-c3ccc(C4(O)CCOCC4)cc3)c2OC1,HMZOEVDBRNEKMY-UHFFFAOYSA-N
-rxn:5:180662:223056:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3ccc(N4CCC(O)CC4)nc3)c2OC1,BFGNDKLQYHWKSF-UHFFFAOYSA-N
-rxn:5:180662:223064:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,CZDBKBCYGUDDMC-UHFFFAOYSA-N
-rxn:5:180662:223065:226644,COC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,GXOUVPNXMBXIIN-UHFFFAOYSA-N
-rxn:5:180662:225812:226597,COC(=O)C1=Cc2cc(-c3cc(F)c(OC(C)C)c(F)c3)cc(-c3cc(C)c(F)c(OC(C)C)c3F)c2OC1,ZZBIWCAOMGVMKK-UHFFFAOYSA-N
-rxn:5:180662:226572:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cnc(OC4CCCC4)nc3)c2OC1,JQEFDHVEPFXVEW-UHFFFAOYSA-N
-rxn:5:181904:226686:223007,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1cc(F)cc(C2CCNCC2)c1,UEBLXQBIBSQBFG-UHFFFAOYSA-N
-rxn:5:181905:222998:226686,Cc1ccc(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1-c1cc(F)cc(C2CCCNC2)c1,SQAKXYBZQDERAR-UHFFFAOYSA-N
-rxn:5:181905:225466:225684,Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)cc1,YRDAIIHDMRAGJL-UHFFFAOYSA-N
-rxn:5:181906:225832:226064,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccc(C2CCCCC2)cc1,ZTVRVNLKPKJBHM-UHFFFAOYSA-N
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-rxn:5:190194:225588:227587,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccccc2CN2CCSCC2)cc(F)c1OC,WAUKHSGMWWXDRA-UHFFFAOYSA-N
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-rxn:5:191049:228339:222989,COC(=O)c1cnccc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3ccc(N4CCNCC4)cc3C)cc1OC)C(=O)CO2,SXZSJZSFVVSNLB-UHFFFAOYSA-N
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-rxn:5:193052:226767:225603,COc1ccc(C(F)(F)F)c(-c2ccc(C(=O)N3CCCC3)c(-c3cccc(C4(C#N)CCC4)c3F)c2)c1,XHFOMVYIEOEVJF-UHFFFAOYSA-N
-rxn:5:193229:226583:227803,CN(C)S(=O)(=O)n1nccc1-c1c(C(=O)N2CCOCC2)cccc1-c1ccc(CN2CCOCC2)s1,GHTLRIDCOLLKLH-UHFFFAOYSA-N
-rxn:5:193334:225641:226215,CO/N=C1\CCc2cc(-c3cccc(CN4CCOCC4)c3-c3ccnc(N4CCCC(C)C4)c3)ccc21,SVFAKZDCZMAXNA-VBMGMRCRSA-N
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-rxn:5:193382:223294:228345,COC(=O)c1sc(C)cc1-c1cc(-c2csc(N3CCNCC3)n2)ccc1S(=O)(=O)N1CCOCC1,MQGVEOQTIAVABS-UHFFFAOYSA-N
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-rxn:5:193382:225926:223000,O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCCNC4)c(F)c3)c2)cc1)N1CCC1,NVBNGZAVTWXNME-UHFFFAOYSA-N
-rxn:5:193382:227281:226794,CC(C)c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc(N4CCSCC4)nc3)c2)cc(C#N)n1,MNEYEHJMGVYVGU-UHFFFAOYSA-N
-rxn:5:193382:227404:228346,COC(=O)c1cc(-c2cc(-c3cc(N4CCCCC4)cs3)ccc2S(=O)(=O)N2CCOCC2)c(C)s1,WXNYIWAUOXKWBP-UHFFFAOYSA-N
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-rxn:5:193382:228964:222959,COC(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)c(C)c3)c2)s1,RVZYOLJMNQUKMZ-UHFFFAOYSA-N
-rxn:5:193382:228964:222980,COC(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(CN4CCNCC4)cc3)c2)s1,YWMUCCWMBZKRMU-UHFFFAOYSA-N
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-rxn:5:193459:226132:226601,Cc1cc(C2(C#N)CC2)ccc1-c1cc(C(=O)N2CCCCC2)cc(-c2c(OC(C)C)ccc(F)c2F)c1,NGSMWLLHPFCZDF-UHFFFAOYSA-N
-rxn:5:193460:225603:223007,N#CC1(c2cccc(-c3cccc(C(=O)N4CCCCC4)c3-c3cc(F)cc(C4CCNCC4)c3)c2F)CCC1,QPVLBSKHUBOUGL-UHFFFAOYSA-N
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-rxn:5:193461:227045:225440,CC(C)(C)Sc1cccc(-c2ccc(C(=O)N3CCCCC3)c(-c3ccc(C4(C#N)CCCC4)cc3)c2)c1,DUIQUHLAJUGEJH-UHFFFAOYSA-N
-rxn:5:193464:225507:226913,CCc1cc(-c2cc(-c3ccc4c(c3)CCC4C(=O)OC)ccc2C2(C#N)CCCCC2)cc(C2CC2)c1,JDMWEYMGKGKGHQ-UHFFFAOYSA-N
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-rxn:5:193506:223142:223054,CC(c1ccc(-c2cc(-c3ccc(C4CCCNC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,YFHYPKFDXZXLHC-UHFFFAOYSA-N
-rxn:5:193506:223145:227934,CCOc1ccc(C)c(-c2cc(-c3ccc(C4CCC(=O)N4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,UPCNKBDNDWUEDA-UHFFFAOYSA-N
-rxn:5:193506:223147:223355,CNC(=O)c1ccccc1-c1cc(-c2ccc(C3CNCCO3)cc2)ccc1S(=O)(=O)N1CCC(=O)CC1,IMYOPAOMOUIKAW-UHFFFAOYSA-N
-rxn:5:193506:223312:225805,CC(c1ccc(-c2cc(-c3ccc(C4CNC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,WMCOOZCFMXEULK-UHFFFAOYSA-N
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-rxn:5:194782:226447:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(-c2ccnc(C3CCOCC3)c2)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2,TUYZVRYQVJPYAB-UHFFFAOYSA-N
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-rxn:5:196791:225834:223141,O=C1COCCN1c1cccc(-c2cc(N3CCCCC3)ncc2F)c1-c1cncc(C2CCNCC2)c1,RBFHQMZEOMGUMW-UHFFFAOYSA-N
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-rxn:5:196858:225407:226652,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCCCCC3)cc2)n(C2CCCCO2)n1,XRQREOTUNHWXCH-UHFFFAOYSA-N
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-rxn:5:197876:226768:227951,CSc1ccc(-c2cc3c(cc2-c2ccc([N+](C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,HTDNFEMWAXSAEB-UHFFFAOYSA-N
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-rxn:4:183863:224961,COC(=O)CN1CCCC(COc2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)cc2)C1,LJKIDWOREVRXPZ-UHFFFAOYSA-N
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-rxn:4:183968:225311,CC(C)(C)OC(=O)N1CCC(COc2cc(F)cc(-c3cc(C(F)(F)F)c(C4CC4)cc3Cl)c2)C1,NAHWNDAVNQGIGX-UHFFFAOYSA-N
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-rxn:4:183985:222905,CC(C)[Si](Oc1ccc(-c2cccnc2NC(=O)OC(C)(C)C)c(C#N)c1)(C(C)C)C(C)C,BCENAQAAKZQFHQ-UHFFFAOYSA-N
-rxn:4:183986:223122,Cc1cc(-c2cccc(NC(=O)C(C)C)c2)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,CMSMLXMZICGTIV-UHFFFAOYSA-N
-rxn:4:183986:223556,Cc1cc(-c2ccc3c(c2)c2ccccc2n3C(=O)OC(C)(C)C)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,JICDOZVOKKKZQD-UHFFFAOYSA-N
-rxn:4:184001:227525,CCc1cnc(C(F)F)cc1-c1ccc(C2(C(=O)OC)CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,WVXWADUVPYLQIJ-UHFFFAOYSA-N
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-rxn:4:184004:222709,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c4)cc3)SC2=S)cc1OC,CAEALPBBKBXEQW-UHFFFAOYSA-N
-rxn:4:184023:224047,CN(Cc1ccccc1)Cc1cccc(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,PLMMRXVWVPOTLZ-UHFFFAOYSA-N
-rxn:4:184034:223862,CCCCc1ccc(-c2ccc(-c3cc(S(=O)(=O)N4CCC(C(=O)OCC)CC4)c(OC)cc3C)c(F)c2)cc1,HGSJWPFVXACPHI-UHFFFAOYSA-N
-rxn:4:184067:224453,COc1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(F)(F)CC3)cc2)cc1Cc1ccccc1,AIHHFGMAPQXLCV-UHFFFAOYSA-N
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-rxn:4:184094:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1ccccc1C(=O)N(Cc1ccc(C(C)C)cc1)C1CCS(=O)(=O)C1,SDOFKOWIJSVHIK-UHFFFAOYSA-N
-rxn:4:184094:226835,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2cc(C(F)(F)F)nn2C(C)C)C2CCS(=O)(=O)C2)cc1,VSBYYJZLWRGIFR-UHFFFAOYSA-N
-rxn:4:184095:223255,CONC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO[Si](C)(C)C(C)(C)C)cc2)c1,YPZWMECFBXLQET-JOCHJYFZSA-N
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-rxn:4:184099:222867,CC(c1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,GOAYPHIGEYKHBY-UHFFFAOYSA-N
-rxn:4:184163:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N(C(C)=O)c4ccc(OC(C)=O)c5ccccc45)cc3)cc2)CC1,GBMZXJYQQPJLBZ-OGESRWMOSA-N
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-rxn:4:184199:225171,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(F)cc(CN3CCOCC3)c2)c2ccccc12)C1CCOC1,KJDKWXBHBBFPJV-UHFFFAOYSA-N
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-rxn:4:184615:222811,CCOC(=O)c1nc(OC)c(C(F)(F)F)cc1-c1cc(Cl)nc(NC(=O)OC(C)(C)C)c1,QSFOWQWNHLQZGO-UHFFFAOYSA-N
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-rxn:4:184712:223788,COC(=O)c1nc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)ccc1OCC(C)C,BGEAIQLTQJUEGH-UHFFFAOYSA-N
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-rxn:4:184811:223481,CCCN(CCC)c1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)cc1,DJBUWHRVSCVYIH-UHFFFAOYSA-N
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-rxn:4:184916:224490,O=C(c1ccc(-c2ccccc2OCCN2CCCCC2)cc1OCC1CC1)N1CCC1,HRXAHTWMSCUSJY-UHFFFAOYSA-N
-rxn:4:184962:222456,CC(C)CS(=O)(=O)C1CN(C(=O)c2ccc(-c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)o2)C1,KVQCPQVNSNGJOL-UHFFFAOYSA-N
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-rxn:4:188012:223570,CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,ZZKLMTQHXAJXSE-UHFFFAOYSA-N
-rxn:4:189331:223841,Cc1cc(F)c(-c2cc(CN(C)C)cc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1,KRMHGMDFCWNFBS-UHFFFAOYSA-N
-rxn:4:189449:223573,COC1CN(C(=O)c2cc(Cl)ccc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1,MWYMRVRUCAEGBQ-UHFFFAOYSA-N
-rxn:4:189833:224291,O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)c(F)c2)cc1F)N1CCOCC1,GPGBNWBFHAQEKR-UHFFFAOYSA-N
-rxn:4:189869:224891,O=C(c1ccc(-c2cc(N3CCCC3)ccc2C2CC2)c(C(F)(F)F)c1)N1CCSCC1,IJAFEMPVIOAMSL-UHFFFAOYSA-N
-rxn:4:189872:222822,Cc1cc(F)c(-c2ccc(C(F)(F)F)cc2C(=O)N2CCSCC2)cc1S(=O)(=O)NC1CC1,YMDZQWVGWHQASE-UHFFFAOYSA-N
-rxn:4:189900:223813,Fc1cc(-c2ccc(CCN3CCOCC3)cc2)ccc1CN1CCC2(CC1)OCCO2,OSMDVNPQYIIRFI-UHFFFAOYSA-N
-rxn:4:189927:223508,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1,MEGPPDJMWKRFEF-UHFFFAOYSA-N
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-rxn:4:190182:222537,COc1ccc(CN2CCCCC2)cc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,ZFNVLSWKBWPGKD-UHFFFAOYSA-N
-rxn:4:190216:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1,KTPJZDXCKOPBCW-UHFFFAOYSA-N
-rxn:4:190224:224780,CS(=O)(=O)c1cc(-c2ccc(C3CCOC3)c(C(F)(F)F)c2)ccc1CN1CCOCC1,DPCGLWMFQDQFPN-UHFFFAOYSA-N
-rxn:4:190236:224777,CCC(=O)C1CCCN(c2cccc(-c3cnc(C4CCCC4)c(C(F)(F)F)c3)c2F)C1=O,RXIVANMMPIGFTG-UHFFFAOYSA-N
-rxn:4:190272:223573,CC1CCCN(C(=O)Cc2ccc(F)cc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1,PKLOOHWPPGKIPX-UHFFFAOYSA-N
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-rxn:4:190330:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(C2CCCN2S(=O)(=O)C(C)C)cc1,WLAMQSOGKXJTDG-UHFFFAOYSA-N
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-rxn:4:190351:222447,COc1ccc2c(c1-c1ccc(CC(=O)N3CCC4(CC3)CC4(F)F)cc1)N=C(NC(=O)OC(C)(C)C)C2,JXHCSWUMKJOBBP-UHFFFAOYSA-N
-rxn:4:190379:222826,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,XZGFASHZEWAZDU-UHFFFAOYSA-N
-rxn:4:190389:222718,COC1CCN(S(=O)(=O)c2cc(C)cc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3C)c2)CC1,ZBBCYTWHUDWPED-UHFFFAOYSA-N
-rxn:4:190394:224484,CC(C)C(=O)C1CCCN(c2cc(-c3ccccc3C(=O)N(C(C)C)C(C)C)ccc2F)C1=O,OOFVIZPGYWRSTJ-UHFFFAOYSA-N
-rxn:4:190426:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2)cc1,WVRAVNZPFSTETR-UHFFFAOYSA-N
-rxn:4:190452:226148,COc1ccc(-c2cccc(C#C[Si](C)(C)C)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,HXMAVTIWAXWNCO-UHFFFAOYSA-N
-rxn:4:190480:224360,COC(=O)c1ccc(-c2ccccc2-c2cccc(C(=O)N3CCCC(C)C3)c2)n1C(=O)OC(C)(C)C,USCZHINRYPTREZ-UHFFFAOYSA-N
-rxn:4:190484:225303,CC(C)(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4Cl)S(=O)(=O)CC3)c2)cc(C(F)(F)F)n1,ZTGYJQJZAVDPTQ-UHFFFAOYSA-N
-rxn:4:190817:224431,COC(=O)CN1C(=O)C(C)(C)c2cc(-c3c(C)cccc3CN(C(C)C)C(C)C)ccc21,MOZRDJPZTHUANR-UHFFFAOYSA-N
-rxn:4:190817:224662,COC(=O)CN1C(=O)C(C)(C)c2cc(-c3cc(F)ccc3CN3CCN(C)CC3)ccc21,LMXXKMFSHYMBFB-UHFFFAOYSA-N
-rxn:4:190847:224621,CC(C)(C)OC(=O)N1CCc2scc(-c3ccc(OCCN4CCSCC4)cc3)c2C1,RZBBXESJYQMQKX-UHFFFAOYSA-N
-rxn:4:190897:224391,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)o1,SAXHVIKSIWVDBM-UHFFFAOYSA-N
-rxn:4:190933:224420,Cc1cc2c(cc1-c1ccc3c(c1)C(C)N(C(=O)OC(C)(C)C)C3=O)C(C)(C)CCC2(C)C,ZJFMCCPHMTUEFO-UHFFFAOYSA-N
-rxn:4:190934:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)CC3)cc1F,DSIFIAFOOCCYAV-UHFFFAOYSA-N
-rxn:4:190960:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)C3)c1,INAAYZRZFNCUBA-UHFFFAOYSA-N
-rxn:4:190961:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2cc3c(cc2F)N(C(=O)OC(C)(C)C)CCC3)ccc1F,XLAYLBAQBYPZKW-UHFFFAOYSA-N
-rxn:4:191006:222693,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1,YONPOLMRBHNARG-UHFFFAOYSA-N
-rxn:4:191008:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)C2(C)C)C(C)C,QKYVNNNJOIOWOT-UHFFFAOYSA-N
-rxn:4:191008:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)C2(C)C,JVVASZUKYMNJJQ-UHFFFAOYSA-N
-rxn:4:191028:223557,COC(=O)C1=CN(c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c(C)c2)c2ccc(F)cc2S1(=O)=O,DISTZEWOBQMRRO-UHFFFAOYSA-N
-rxn:4:191030:224563,Cc1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)c(O[Si](C)(C)C(C)(C)C)c1,BWJGXPHQDCFGDN-UHFFFAOYSA-N
-rxn:4:191039:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)C(C)(C)CN2C(=O)OC(C)(C)C,CIDVLGRFNYXLFA-UHFFFAOYSA-N
-rxn:4:191058:222913,COC(=O)C1CCN(C2CCc3cc(-c4ccc(CNS(=O)(=O)C5CC5)cc4)ccc32)CC1,ONTVLDCPFXHFOS-UHFFFAOYSA-N
-rxn:4:191062:226512,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccncc1OCC1CCO1,VNDIBHQPBXOCDI-UHFFFAOYSA-N
-rxn:4:191062:227438,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccnc(C2CCOC2)c1,MPWYPIIXAQOROW-UHFFFAOYSA-N
-rxn:4:191062:227449,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2CCOCC2)s1,BGFJYOXBUJOPPR-UHFFFAOYSA-N
-rxn:4:191062:228210,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(N2CCCC2)s1,INMUMXZPQLSASN-UHFFFAOYSA-N
-rxn:4:191097:226127,CCOc1ccc(C(C)C)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,XIQATOSXWOANTQ-UHFFFAOYSA-N
-rxn:4:191097:226487,COC(=O)COc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,FEXALPRWVAGTLG-UHFFFAOYSA-N
-rxn:4:191115:225162,CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(-c3ccc(C(=O)N4CCCC4)c(Cl)c3)ccc1O2,ISFINJGKBINBGL-UHFFFAOYSA-N
-rxn:4:191123:225564,COC(=O)C(C)(C)c1cccc(-c2cccc3c2C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1,CSEDCUYUUNATMU-UHFFFAOYSA-N
-rxn:4:191124:224863,CC(C)N(Cc1ccccc1-c1ccc2c(c1)C1(CC2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C,OQOYUENGENVFML-UHFFFAOYSA-N
-rxn:4:191131:223957,Cc1ccc(C(=O)C2=CN(c3cccc(-c4cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c4)c3)c3ccccc3S2(=O)=O)c(C)c1,XGDAIGXSCFYRAE-UHFFFAOYSA-N
-rxn:4:191136:225104,CCN(CC)C(=O)c1ccc(F)c(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5cccc(C(F)(F)F)c5)C(=O)C34)cc2)c1,ZLYBBNRBJNHBSY-UHFFFAOYSA-N
-rxn:4:191171:223064,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4-c4ccc(C5CCNCC5)nc4F)cc1c32,DMTYIQUYSOMGHO-UHFFFAOYSA-N
-rxn:4:191192:223998,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c2)cc1)N(CC1CCCO1)C3=O,ABBMIPFROMNKSU-UHFFFAOYSA-N
-rxn:4:191195:228792,CSc1ccc(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)cc1F,CUNGPWRXZZFQHF-UHFFFAOYSA-N
-rxn:4:191754:223497,COc1ncc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1C(F)F,XNJJALHIKZCHSZ-UHFFFAOYSA-N
-rxn:4:193127:224395,O=C1CCCN1c1cc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1,BFLDVCMRDVTUNO-UHFFFAOYSA-N
-rxn:4:193131:222389,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)C=C1,ZHHMKWAYNZRHRC-UHFFFAOYSA-N
-rxn:4:193174:223474,C#Cc1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1N1CCOCC1,CMKGCEPGMLDTBX-UHFFFAOYSA-N
-rxn:4:193293:224060,COc1c(C(C)(C)C)cc(-c2cc(N3CCCS3(=O)=O)cc(C(F)(F)F)c2)cc1C(C)(C)C,SURJTDAPILSJIB-UHFFFAOYSA-N
-rxn:4:193403:224754,O=S(=O)(c1cc(-c2ccccc2S(=O)(=O)N2CCCCC2)c(F)cc1F)N1CCOCC1,IAKJHFBEJMTUOH-UHFFFAOYSA-N
-rxn:4:193507:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2Cl)c1,XATPCBFPBAARGS-UHFFFAOYSA-N
-rxn:4:193518:222695,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)cc1,KPXYAWZDBRJGCY-UHFFFAOYSA-N
-rxn:4:193556:223892,Cc1ccc(C(=O)N2CCOCC2)cc1-c1ccc(OCCCN2CCN(C)CC2)cc1,FNXOUULLHNLWJP-UHFFFAOYSA-N
-rxn:4:193566:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCCC2)c(C)c1,TWJBVCCZNSCDGB-UHFFFAOYSA-N
-rxn:4:193575:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C2CCCN2S(C)(=O)=O)cc1,JWALZFGLAUKZBJ-UHFFFAOYSA-N
-rxn:4:193600:224088,FC1(F)CCN(Cc2cc(Cl)cc(-c3ccc(OCCN4CCCCCC4)cc3)c2)CC1,TWHWNFDHPNRDQU-UHFFFAOYSA-N
-rxn:4:193602:223641,CCc1cc2c(cc1F)cc(-c1ccc(CN3CCS(=O)(=O)CC3)c(F)c1)n2C(=O)OC(C)(C)C,KKDXMTDYDJIXTE-UHFFFAOYSA-N
-rxn:4:193602:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1ccc(CN2CCS(=O)(=O)CC2)c(F)c1,PWIXSUWNGQDXQM-UHFFFAOYSA-N
-rxn:4:193648:223952,CN1CCN(CCOc2ccc(-c3cc(N4CCC(F)(F)CC4)cc(C(F)(F)F)c3)cc2Cl)CC1,DVQZGTWELLZOOC-UHFFFAOYSA-N
-rxn:4:193712:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4C(=O)C(=Cc5ccc(F)cc5)SC4=S)cc3)c(F)ncc21,WQCNJZAXSIQSOK-UHFFFAOYSA-N
-rxn:4:193781:224686,Cc1cc(-c2ccc(C(=O)N3CCCCC3)cc2F)ccc1C(=O)N1CCC(F)(F)CC1,SGABVGPUGVZNAJ-UHFFFAOYSA-N
-rxn:4:193855:223575,Cc1cc(S(=O)(=O)N2CCC[C@H]2C)ccc1-c1ccccc1CN1CCN(C(=O)OC(C)(C)C)CC1,RAGIGRNCWKJFTO-JOCHJYFZSA-N
-rxn:4:193882:224420,Cc1cc2c(cc1-c1cc(S(=O)(=O)N3CCC(C)CC3)c(F)cc1F)C(C)(C)CCC2(C)C,AENQQKFCAOSMCJ-UHFFFAOYSA-N
-rxn:4:193884:224594,CC(=O)N1CCCCC1c1ccccc1-c1cc(S(=O)(=O)N2CCCCC2C)c(F)cc1F,YHWBGBRDGYXHHJ-UHFFFAOYSA-N
-rxn:4:194507:223497,CC(c1ccc(-c2cc(Cl)cc3c2ccn3S(=O)(=O)c2ccccc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,CGSNOWJXJDDVEJ-UHFFFAOYSA-N
-rxn:4:194593:224710,CCCCOc1cc(-c2cc(CN3CCC(F)(F)C3)cc3c2OCC3)cc(C(F)(F)F)c1,UODOLPLPXBTMSM-UHFFFAOYSA-N
-rxn:4:194669:223712,COc1ccc(-c2ccc3c(c2)CN(C(=O)C(C)(C)C)[C@@H]3C)cc1C12CC3CC(CC(C3)C1)C2,SMXSZYMJKZHYRQ-OYZYGDNFSA-N
-rxn:4:194686:226092,CCCCOc1ccc(-c2ccc3c(c2)C(=O)CC32CCN(C(=O)C(F)(F)F)CC2)c(C)c1,DRSHTYUMMKONFL-UHFFFAOYSA-N
-rxn:4:194687:225893,COCCOc1c(Cl)ccc(-c2cccc3c2C2(CCN(C(=O)C(F)(F)F)CC2)CC3=O)c1F,QSZAPHYKVURVEV-UHFFFAOYSA-N
-rxn:4:194702:223810,Cc1ccc(S(=O)(=O)N2CC(=O)c3cccc(-c4cc(C)c(S(=O)(=O)N5CCC(C)CC5)c(C)c4)c3C2)cc1,SIKLLSIERCHAKF-UHFFFAOYSA-N
-rxn:4:194710:223974,CC1CCN(c2ccc(-c3ccc4c(c3)CCC4N3CCC(C(F)(F)F)CC3)c(C(F)(F)F)c2)CC1,UKAZLWZUCKBSDJ-UHFFFAOYSA-N
-rxn:4:194711:224801,CCCOc1cc(-c2ccc3c(c2)CCC3N2CCCC(C(F)(F)F)C2)cc(C(F)(F)F)c1F,QHAPDJFMQXAJTM-UHFFFAOYSA-N
-rxn:4:194750:222857,COc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc(C2CCNCC2)c1,WCQUGQVWEIQRQA-UHFFFAOYSA-N
-rxn:4:194750:222892,COc1cc(N2CCNCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,DAVWNDLPPUQEPE-UHFFFAOYSA-N
-rxn:4:194757:226148,C[Si](C)(C)C#Cc1cccc(-c2ccc3c(c2)CCCC3N2CCCC(C(F)(F)F)C2)c1,XHJDZXWSPKLAEP-UHFFFAOYSA-N
-rxn:4:194773:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CCC3(CC2)OC(=O)c2ccccc23)CC1,VMFBKBFAPCVEAU-UHFFFAOYSA-N
-rxn:4:195121:223492,Cc1cc(-c2ccc(F)nc2C(F)F)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KVPGPOVXJIJTBB-UHFFFAOYSA-N
-rxn:4:196100:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cncc(C(C)(C)F)c3)cc(C(F)(F)F)c2)CC1,MBNWMKYEBYNLDP-UHFFFAOYSA-N
-rxn:4:197020:223489,Cc1nc(C2CCCOC2)ccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,VIMAAVXLVDQYEK-UHFFFAOYSA-N
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-rxn:4:204781:222704,O=C1CCC(=O)N1C1CC2CCC(C1)N2C(=O)c1ccccc1-c1ccc(C2CCNCC2)c(C(F)(F)F)c1,FMMVKGRFDDFABD-UHFFFAOYSA-N
-rxn:4:204806:224476,Cc1cccc(C(=O)N=C2SC3CS(=O)(=O)CC3N2c2cccc(-c3ccc4c(c3)ncn4C3CCCCC3)c2)c1,TWTOWNIYMNDCKK-UHFFFAOYSA-N
-rxn:4:204872:222436,Cc1ccc(C2C3C(=O)N(c4ccc(-c5cccc(C(=O)Nc6cccc(OC(F)(F)F)c6)c5)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1,BDMRMVUGXMMZDR-UHFFFAOYSA-N
-rxn:4:204944:223754,CC1CCN(CCCOc2ccc(-c3ccc4c(c3)C3CC(c5ccco5)=NN3C(c3ccc(C(C)C)cc3)O4)cc2Cl)CC1,PONGQZJKWDHQBL-UHFFFAOYSA-N
-rxn:4:205006:223497,CC(c1ccc(-c2cnn(CC(F)F)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,PDOZDOWHSHVUJE-UHFFFAOYSA-N
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-rxn:4:206962:222583,CS(=O)(=O)N1CCCC(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1,SHYSEDIHTJNGGP-UHFFFAOYSA-N
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-rxn:4:207060:222826,CN1CCCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cc2)CC1,OVFXXWHASPYZBQ-UHFFFAOYSA-N
-rxn:4:207070:223787,CN1CCN(CCCOc2ccc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)cc2F)CC1,XLQMGSOPVYLBID-UHFFFAOYSA-N
-rxn:4:207074:223958,CCN1CCN(C(=O)c2ccc(-c3cc(C4CC4)ccc3N3CCN(C)CC3)cc2F)CC1,CFLOQPGMVFXUHQ-UHFFFAOYSA-N
-rxn:4:207462:223812,CCn1ncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1C12CSCCC1O2,XITLSVYTWIJKAO-UHFFFAOYSA-N
-rxn:4:207832:223753,CCN1C(=O)C(=C2SC(=S)N(c3ccc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cc3)C2=O)c2ccccc21,KBBCQVJKOVVRFE-UHFFFAOYSA-N
-rxn:4:207928:223505,Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)c1,RTVIYBDOHWDWLO-UHFFFAOYSA-N
-rxn:4:207947:223530,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1)N(c1cccc(C)n1)C3=O,GNSJDHUTRCMUGF-UHFFFAOYSA-N
-rxn:4:207959:223166,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCNCC5)nc4)ccc2OC3C2CCCCC2)cc1,WZSRAAHUDVXCOL-UHFFFAOYSA-N
-rxn:4:207959:226414,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5=NCCCO5)cc4)ccc2OC3C2CCCCC2)cc1,NEHQEPIQHNGZER-UHFFFAOYSA-N
-rxn:4:207959:227684,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnn(CC5OCCO5)c4)ccc2OC3C2CCCCC2)cc1,VGNOQFHRCXVWQZ-UHFFFAOYSA-N
-rxn:4:207965:225011,COc1ccc(C2=NN3C(C2)c2cc(-c4cccc(C5(C#N)CCCC5)c4F)ccc2OC32CCC(C)CC2)cc1,GXHDKBBWOXDXIO-UHFFFAOYSA-N
-rxn:4:207965:227500,CCN(C)c1ncc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCC(C)CC2)O3)cc1Cl,UTYIMUQTQPHYGH-UHFFFAOYSA-N
-rxn:4:209877:223492,Cc1cc(-c2ccc(N3CCN(C)CC3)c(F)c2F)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GXELTHQNGJJXCI-UHFFFAOYSA-N
-rxn:4:211032:222389,c1cc(N2CC3CCCCC3C2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,DVGISGSSRFBDCB-UHFFFAOYSA-N
-rxn:4:211061:227549,COC(=O)c1cc(Cl)ccc1-c1ccc2c(c1)C(=C1SC(=S)N(C3CCS(=O)(=O)C3)C1=O)C(=O)N2C,MWYQKKPJUJCLFK-UHFFFAOYSA-N
-rxn:4:212547:223650,CCOCCN1CCC(Oc2ncc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,BXRGBHRANMWHGO-UHFFFAOYSA-N
-rxn:4:212548:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnn(CC3CN(C(=O)CCc4ccccc4)C3)c2)c1,QJSUMDNEWWQWBE-UHFFFAOYSA-N
-rxn:4:212564:223728,CCCCCC1CCC(c2ccc(-c3cccc(C(=O)N4CCN=C4SCc4cccc([N+](=O)[O-])c4)c3)c(F)c2)CC1,LWUPCZSHSVQKHP-UHFFFAOYSA-N
-rxn:4:212583:224198,CCN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4cccc([N+](=O)[O-])c4)cc3)c(F)c2)CC1,NFGFDXACANDUAB-UHFFFAOYSA-N
-rxn:4:212627:222456,N#Cc1ccnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)c5ccc(C(F)(F)F)cc5)c4)cc3)C2)c1,RHVVCTPOTIRFLE-UHFFFAOYSA-N
-rxn:4:212649:225875,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,ALJOJTGUKVSLQP-UHFFFAOYSA-N
-rxn:4:212653:224055,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2c(C)cc(OCc3ccccc3)cc2C)n1,WYKGJSXIKPTDSG-UHFFFAOYSA-N
-rxn:4:212727:222709,Cc1ccccc1-n1c(-c2ccc(-c3cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c3)cc2)cnc1SCC(=O)N1CCCCC1,QYNCUMATXVOCEJ-UHFFFAOYSA-N
-rxn:4:212728:223085,COc1cc(OC)cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(-c5cnc(Cl)c(N6CCC(O)C6)c5)cc4)CC3)n2)c1,FYTZYNPLZODRMN-UHFFFAOYSA-N
-rxn:4:212740:226480,CCCCOc1ccc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)n1,HJUBGOXGSBIYEW-UHFFFAOYSA-N
-rxn:4:212796:223814,CCn1c(-c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cc2)cnc1SCC(=O)N1CCc2ccccc21,ZRRQNHZDRTWCHN-UHFFFAOYSA-N
-rxn:4:212799:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc2nc(N(CCN(C)C)C(=O)C3CCCCC3)sc2c1,UOHPBMFDFVIVLG-UHFFFAOYSA-N
-rxn:4:212831:226301,CCCOc1cc(F)c(C)cc1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)OC)C(CN1CCOCC1)=N2,AHZSCYZSWSLPBE-UHFFFAOYSA-N
-rxn:4:212849:226508,O=C(c1ccccc1-c1ccc(OCC2CC2)nc1F)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1,QNEDKJUKAUTJRR-UHFFFAOYSA-N
-rxn:4:212861:223527,CN(C)CCCOc1ncc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cn1,ABISQRPPJBHYNQ-UHFFFAOYSA-N
-rxn:4:212967:224277,CC(C)(C)OC(=O)n1ccc2c(-c3cnc(OCC4CCN(C(=O)C5CC5)CC4)nc3)ccnc21,HAYDZRIVKRTAMC-UHFFFAOYSA-N
-rxn:4:213046:225220,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ncc1-c1cnc(N2CCCCC2C)c(Cl)c1,WOSLQUWWWQQZAO-UHFFFAOYSA-N
-rxn:4:213096:223184,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCNCC4)nc3)ccc2C#N)CC1,BBXCHGFPZLUPRR-UHFFFAOYSA-N
-rxn:4:213106:222826,COc1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c(C(=O)N2CCCC(Oc3ccncn3)C2)c1,YRYQJVLWQZMSEA-UHFFFAOYSA-N
-rxn:4:213127:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccnc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,WULYIENRNAPDPG-UHFFFAOYSA-N
-rxn:4:213127:225454,CN1CC=C(c2ccc(-c3ccnc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,HPOHOKPOEAKMPV-UHFFFAOYSA-N
-rxn:4:213180:222634,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)c(C)o1,HQROANCVPLWVJP-UHFFFAOYSA-N
-rxn:4:213188:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccccc3C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)c2)CC1,IHFJFXFNFKXQEU-UHFFFAOYSA-N
-rxn:4:213188:224434,O=C(c1ccccc1-c1ccc(COCc2ccccc2)cc1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,WFUJEGCBRQCXQU-UHFFFAOYSA-N
-rxn:4:213203:222887,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cccc(C(=O)N5CCNCC5)c4)cc3)CC2)nn1,WTLTXWJJYFLIQQ-UHFFFAOYSA-N
-rxn:4:213204:224663,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3-c3ccc(CN4CCN(C)CC4)c(F)c3)C2)nc1,LONOPYZBQURSSH-UHFFFAOYSA-N
-rxn:4:213215:222407,CCNC(=O)Nc1ccc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)cc1,MEXJSLCQLOAIEZ-UHFFFAOYSA-N
-rxn:4:213253:223245,COc1c(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)ccc2[nH]ncc12,DFUFYYYMBVKQMV-UHFFFAOYSA-N
-rxn:4:213260:222633,O=C(NCCN1CCCC1)c1ccc(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)cc1,ANYZWWRTDDRADL-UHFFFAOYSA-N
-rxn:4:213265:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,RNYZFLJNPZQTBM-UHFFFAOYSA-N
-rxn:4:213281:222723,CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ncccc3-c3cccc(NS(=O)(=O)N4CCOCC4)c3)CC2)CC1,HYGOPZMRRLPTQT-UHFFFAOYSA-N
-rxn:4:213281:226361,Cc1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c(-n2cccn2)c1,MLSQHAVBCSRDFH-UHFFFAOYSA-N
-rxn:4:213281:227137,CCn1cnc2cc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)ccc21,ZVDIUYKMCMUEHE-UHFFFAOYSA-N
-rxn:4:213363:223682,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5c(C(F)(F)F)ccc6c5cnn6C5CCCCO5)c4)CC3)nc2c1,CGMTUZPQQOCEOW-UHFFFAOYSA-N
-rxn:4:213394:225294,CCN1CCN(c2ncc(-c3ccc4nc(N5CCN(C(=O)c6cccc(OC)c6OC)CC5)sc4c3)cn2)CC1,AQXVKSFCNPFZGX-UHFFFAOYSA-N
-rxn:4:213438:224272,COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1-c1cc2ccncc2n1C(=O)OC(C)(C)C,CWFXQACNTZWHKW-UHFFFAOYSA-N
-rxn:4:213441:223279,O=C(Cn1ccc2cc(-c3cnc(C4CCCN4)nc3)ccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,DIDVPGJAVDIWFB-UHFFFAOYSA-N
-rxn:4:213453:224729,COc1nccc(-c2ccc(C(=O)CSC3=Nc4ccccc4C4=NC(C(C)C)C(=O)N34)cc2)c1C(=O)OC(C)(C)C,BKHODFGOXMQONV-UHFFFAOYSA-N
-rxn:4:213460:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccncc2)N(CCCN(C)C)C4=O)cc1,AYKGHENKTLIGKG-UHFFFAOYSA-N
-rxn:4:213475:226090,CCN(CC)Cc1cccc(-c2ccc([C@@H]3c4ccc5c(cnn5C5CCCCCO5)c4C[C@@H](C)N3CC(F)(F)F)c(OC)c2)c1,LDQCVLSEJPZJHV-KCPRQFLWSA-N
-rxn:4:213480:223038,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(C(=O)NC(C)C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,URCOZUDUQOMJMW-IVMILYEGSA-N
-rxn:4:213480:223060,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(Cl)nc(C5CCNCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZNMIQQSHQOAVMZ-IVMILYEGSA-N
-rxn:4:213480:226148,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(C#C[Si](C)(C)C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,RAZMHBULBGSRCE-UHDFPJTPSA-N
-rxn:4:213480:226659,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCCC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,GXZJIHPGPWJVGV-UCKIBBKRSA-N
-rxn:4:213481:225671,COC12CC(COC(=O)c3cncc(-c4cc(C5CCCCC5)ncc4F)c3)CN(C)C1Cc1cn(C)c3cccc2c13,GSKDJUOROQFXNR-UHFFFAOYSA-N
-rxn:4:213656:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnn(CC3CCN(CC4CC4)C3)c2)cc1,CLVSCWVPTQHUAS-UHFFFAOYSA-N
-rxn:4:213755:222889,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cc(F)cc(CN4CCNCC4)c3)cs2)CC1,WJXYFSPMHANCDA-UHFFFAOYSA-N
-rxn:4:213761:222946,O=C(C1CC=CCC1)N1CC(Cn2cc(-c3cnc(N4CCCCC4O)nc3Cl)cn2)C1,WQKQCPDXPSLVBG-UHFFFAOYSA-N
-rxn:4:213765:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cncc(C4CCN(C(=O)OC(C)(C)C)C4)n3)c(F)c2)CC1,NAMWCXGXDGQCSU-JQLAIFRYSA-N
-rxn:4:213802:222975,Cc1cc(C(=O)NC2CC2)ccc1-c1cccnc1OC1CCN(S(=O)(=O)N(C)C)CC1,ZYQDAKIYPVWNLN-UHFFFAOYSA-N
-rxn:4:213832:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,WPWCAYGNDSVOGA-UHFFFAOYSA-N
-rxn:4:213843:223083,Cc1nc(N2CCC(O)C2)ncc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2=O)c1,JIWKBZNLJRMMNW-UHFFFAOYSA-N
-rxn:4:213846:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2)cc1,JVCPJFPFZLXOEJ-IBGZPJMESA-N
-rxn:4:213857:223844,O=S(=O)(c1ccc(-c2cnc(OC3CCN(Cc4ccccc4F)CC3)nc2)c(C(F)(F)F)c1)N1CCCC1,ACYYWVFEBFKLGV-UHFFFAOYSA-N
-rxn:4:213889:223786,CN1CCN(CCCOc2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ncn3)cc2Cl)CC1,CTKXRODYSNXULI-UHFFFAOYSA-N
-rxn:4:213905:222695,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(Cn4ccnc4)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,QAZINXIZCXMBKR-UHFFFAOYSA-N
-rxn:4:213931:225885,CCCn1nnc2cc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCCC4)C3)c(F)cc21,DOHHHEXPLZZQLZ-UHFFFAOYSA-N
-rxn:4:213936:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)c4nnn(-c5cc(C)ccc5OC)c4C)cc3)c(F)cc2C)CC1,CHUDXQOVCDUXKX-UHFFFAOYSA-N
-rxn:4:213972:224591,CC1CCN(Cc2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)ccc2Cl)CC1,JUCJDLWNQDICJC-UHFFFAOYSA-N
-rxn:4:214033:227241,CCOc1ccc(OC)cc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,AJKBUCKHQLTLSP-DHIUTWEWSA-N
-rxn:4:214033:227447,CC(C)[C@H]1COC(c2cc(-c3c(F)ccc(C4CC4)c3F)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,IIWRESXXIGNYQW-FGZHOGPDSA-N
-rxn:4:214046:224488,CC(C)N(C(=O)c1ccc(-c2ccc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)cc1)C(C)C,XUUNDEJPFTUNSR-FCHUYYIVSA-N
-rxn:4:214049:222913,N#CC1CCN(Cc2ccc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)cc2N2CCCCC2)CC1,RXAHSIVMDJUYCJ-UHFFFAOYSA-N
-rxn:4:214052:224676,Cc1c(C(=O)N2CCC(N(C)c3ccccn3)CC2)cccc1-c1ccccc1C(=O)N1CCN(C)CC1,IQDBCUSXGVBLNZ-UHFFFAOYSA-N
-rxn:4:214060:226896,COCn1cc(-c2cncc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)c2)c(C(F)(F)F)n1,MZIOPYOJALBDPW-UHFFFAOYSA-N
-rxn:4:214065:224589,Cc1nn(C(=O)c2ccc(-c3ccc(F)cc3CN3CCC(C)CC3)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1,QRYJSOQSJPTRAZ-UHFFFAOYSA-N
-rxn:4:214078:222546,CCN1CCN(Cc2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2N2CCCCC2)CC1,OFFOETBQICUNFW-UHFFFAOYSA-N
-rxn:4:214181:223670,CCCC(=O)N1CCN(c2nc3ccc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cc3s2)CC1,AHGVLYQCQODGCI-UHFFFAOYSA-N
-rxn:4:214388:225301,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(OC5CCOCC5)ncc4F)c(OC)cc12)CC3,DYGXPUUFFKYECG-UHFFFAOYSA-N
-rxn:4:214389:225748,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3ccncc3OCC3CCCO3)cc12,KQKZVACIGPQZFY-UHFFFAOYSA-N
-rxn:4:214640:224179,CN1CCN(CCOc2ccc(-c3cncc([N+](=O)[O-])c3N3CCC(C(F)(F)F)CC3)cc2)CC1,USJKBQBUKMWFQR-UHFFFAOYSA-N
-rxn:4:214660:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1cnn(C)c1C(=O)N1CCC(C(F)(F)F)CC1,CUPOBBQODGYIDX-UHFFFAOYSA-N
-rxn:4:214697:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnn(C4CCN(CC5CC5)CC4)c3)c2)CC1,WZYSWWLGOFPSFN-UHFFFAOYSA-N
-rxn:4:214742:224665,CN1CCN(Cc2cc(F)ccc2-c2cc(N3CCC(N(C)C)CC3)ccc2C#N)CC1,TXPBQAVKOWIDIM-UHFFFAOYSA-N
-rxn:4:214743:224666,CN1CCN(Cc2cc(-c3cccc(N4CCC(N(C)C)CC4)c3C#N)ccc2F)CC1,KOFMZJBVFZLFFR-UHFFFAOYSA-N
-rxn:4:214744:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(N3CCC(N(C)C)CC3)cc2C#N)CC1,XQOVYXBDXIQNCM-UHFFFAOYSA-N
-rxn:4:214744:224665,CN1CCN(Cc2cc(F)ccc2-c2ccc(N3CCC(N(C)C)CC3)cc2C#N)CC1,FALIGKPOOWUHDD-UHFFFAOYSA-N
-rxn:4:214745:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(C#N)c(N3CCC(N(C)C)CC3)c2)CC1,WWLQDIJMKHPBJJ-UHFFFAOYSA-N
-rxn:4:214748:224195,CCN1CCN(Cc2cc(-c3cc(C#N)ccc3N3CCC(N(C)C)CC3)ccc2Cl)CC1,UVWQCDCGXPEQGS-UHFFFAOYSA-N
-rxn:4:214795:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cc(N4CCN(Cc5ccccc5)CC4)ccn3)c2)CC1,DFQZWMYMXYHAAG-UHFFFAOYSA-N
-rxn:4:214798:223698,O=S(=O)(c1cc(-c2ncccc2N2CCN(Cc3ccccc3)CC2)ccc1OC(F)(F)F)N1CCCC1,MQUWVRLMPXKLMX-UHFFFAOYSA-N
-rxn:4:214802:225222,CC1CCCCN1c1cc(-c2cccnc2N2CCOC(C(=O)N3CCCC3)C2)c(F)cn1,AHEMNILRUMRAQD-UHFFFAOYSA-N
-rxn:4:214875:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(F)c1,DAYMDKSCONUASA-UHFFFAOYSA-N
-rxn:4:214896:224318,Cc1cc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,LDJQREZMIVFREJ-UHFFFAOYSA-N
-rxn:4:214995:222605,CCOC(=O)C1CCc2c(-c3cc(S(=O)(=O)NC4CCCC4)ccc3OC)nnn2C1,KQWSXWRQRVCKDF-UHFFFAOYSA-N
-rxn:4:215068:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cc3n(n2)CCCN3C(=O)OC(C)(C)C)cc1,ZSGJEOPJGIUCCA-UHFFFAOYSA-N
-rxn:4:215099:223891,C[C@@H]1Cn2ncc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)c2CN1C(=O)OC(C)(C)C,KONCVOOTHOMSEG-QGZVFWFLSA-N
-rxn:4:215107:224487,CC(C)(C)OC(=O)N1CCCn2ncc(-c3cccc(OCCN4CCCCC4)c3)c2C1,NJQPGXPHRFJABW-UHFFFAOYSA-N
-rxn:4:215127:223953,COCCN1CCN(c2cc(F)cc(-c3ccc4nc(N5CCN(C(=O)C6CC6)CC5)sc4c3)c2)CC1,ZGCSAKNFKPAXTC-UHFFFAOYSA-N
-rxn:4:215184:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,QTTSGHUSXDAQTR-UHFFFAOYSA-N
-rxn:4:215227:223971,CC1CCN(c2cc(-c3ccc(N4C(=O)C5ON(c6ccccc6)C(c6ccccn6)C5C4=O)cc3)cc(C(F)(F)F)c2)CC1,MMVHTZYOPZWIRQ-UHFFFAOYSA-N
-rxn:4:215295:224076,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)cnc12,GKOYDJUWZBNUGB-UHFFFAOYSA-N
-rxn:4:215304:222440,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(S(=O)(=O)NCc5ccco5)cc4C(F)(F)F)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,MDKZBXAHHBETHP-UHFFFAOYSA-N
-rxn:4:215309:223713,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3ccccc3COc3cccc4c3CCCC4)cccc1-2,LTHANXMXOCKMKL-LJAQVGFWSA-N
-rxn:4:215310:223712,COc1ccc(-c2ccc(C3C4=C(OC(C)=O)c5ccccc5C4=Nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1C12CC3CC(CC(C3)C1)C2,ZUMRATLIGLXUQI-UHFFFAOYSA-N
-rxn:4:215735:223810,Cc1cc(-c2cc([N+](=O)[O-])cnc2N2CCOCC2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,CGUISUKGEJXHMC-UHFFFAOYSA-N
-rxn:4:215744:223492,Cc1cc(-c2cc(-c3ccccn3)nc(C3CC3)n2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,VQNSJGGGJOVWSD-UHFFFAOYSA-N
-rxn:4:215803:222747,O=C(NCC1CCCO1)c1ccc(-c2cnc(N3CCC(F)(F)CC3)c([N+](=O)[O-])c2)cc1,LQBNAMAVPYILRO-UHFFFAOYSA-N
-rxn:4:215830:224378,Cn1ncc(C(=O)N2CCC(F)(F)CC2)c1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,UBHKIANBYQGLPI-UHFFFAOYSA-N
-rxn:4:215877:223660,CCN1CCN(c2cncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)CC1,BYLKFZBEVLZCAE-UHFFFAOYSA-N
-rxn:4:215878:223699,CN1CCN(Cc2cncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)c2)CC1,VLNFFKZLMGLIBU-UHFFFAOYSA-N
-rxn:4:215911:224267,CN1CCN(c2cc(-c3cccc(N4CCC5(CC4)OCCO5)c3)c(F)cc2[N+](=O)[O-])CC1,XEYQFAPMHWETJQ-UHFFFAOYSA-N
-rxn:4:215940:223834,Cc1cc(-c2ccc(N3CCC(N(C)C)CC3)cn2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,NMVQTWRFGYWNBE-UHFFFAOYSA-N
-rxn:4:215988:223728,CCCCCC1CCC(c2ccc(-c3nc(N4CCCC(C)C4)cc(C(C)(C)C)n3)c(F)c2)CC1,NXIIGMUILRAVDX-UHFFFAOYSA-N
-rxn:4:215989:222894,CCCCS(=O)(=O)Nc1cccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)c1,BWMVOTVNLIXAEJ-UHFFFAOYSA-N
-rxn:4:216355:222858,CC(C)C(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3cccc(C(=O)NCCN(C)C)c3)cc12,UAQKFXHUXUHGLZ-UHFFFAOYSA-N
-rxn:4:216450:223481,Cn1nc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)nc1C(F)(F)F,YUOUBCWWRDIVBE-UHFFFAOYSA-N
-rxn:4:217858:223813,CN1CC2(C)OC2(c2c(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)cnn2C)C1,AJKGAWXVUPCDIP-UHFFFAOYSA-N
-rxn:4:217889:222615,CC(C)Cc1cc(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)cc(C2CCNCC2)c1,CMDVBLZUPLNRFZ-UHFFFAOYSA-N
-rxn:4:217889:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c2)CC1,MMHSXLOHVRHQJV-UHFFFAOYSA-N
-rxn:4:218600:224810,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cnc(N4CCCC4)c(C(F)(F)F)c3)cn2)CC1,HHFVHHVIDIXVHA-UHFFFAOYSA-N
-rxn:4:218615:225767,CC(C)COc1c(F)cc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)C3)cn2)cc1F,HJINTRCCPNPYHY-UHFFFAOYSA-N
-rxn:4:218629:223095,CC(=O)Nc1cccc(-c2cnc(OCC3CCCN(C(=O)Cc4c(C)noc4C)C3)nc2)c1[N+](=O)[O-],KSVDLPCIILTRHS-UHFFFAOYSA-N
-rxn:4:218643:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cncc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)c2)CC1,QLJSQLOVWMVEDP-UHFFFAOYSA-N
-rxn:4:218643:225784,O=C(c1cncc(-c2ccc(CN3CCOCC3)nc2)c1)N1CCC(COc2ccc(C3CC3)nn2)CC1,WTICAPTYHQKEKD-UHFFFAOYSA-N
-rxn:4:218652:224589,CC1CCN(Cc2cc(F)ccc2-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,AVWZAWABRVJSIW-UHFFFAOYSA-N
-rxn:4:218686:223866,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3ccccc3CN3C(C)(C)CCCC3(C)C)CC2)CC1,NKTXIBFPZGMKBF-UHFFFAOYSA-N
-rxn:4:218710:223161,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(C(=O)NC)cc4OC)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,FPHIYCBMZJMJGD-UHFFFAOYSA-N
-rxn:4:218711:223275,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(-c4ncc[nH]4)nc3)CC2)CC1,HCTIFYUSJPDIQV-UHFFFAOYSA-N
-rxn:4:218711:227462,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc4c(Cl)nccc4c3)CC2)CC1,OMCMCTSDAHNBOD-UHFFFAOYSA-N
-rxn:4:218754:228726,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4ccc(Cl)c(C#N)c4)c3n(CC#N)c2=O)CC1,JBCOIVMZWAXMJU-UHFFFAOYSA-N
-rxn:4:218755:227656,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4cc(N5CCOCC5)cs4)cc3n(CC#N)c2=O)CC1,CZPHNHFAEWCERZ-UHFFFAOYSA-N
-rxn:4:218768:222511,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cc(C(=O)NC2CCCCC2)cc([N+](=O)[O-])c1,PKYNNVBJPFBKJZ-UHFFFAOYSA-N
-rxn:4:218772:223643,Cc1ccc(S(=O)(=O)n2c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCOCC5)CC4)c3)cc3ccccc32)cc1,IGABXPOZFFUXPQ-UHFFFAOYSA-N
-rxn:4:218774:223699,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6ccc(S(=O)(=O)N7CCOCC7)cc6C(F)(F)F)ccc5OC)oc4C)ccn3n2)cc1,GPJAKUSATLHGKL-UHFFFAOYSA-N
-rxn:4:218824:222748,CN(CC1CN(c2ncc(-c3cccc(C(=O)NCC4CCCO4)c3)cn2)C1)S(=O)(=O)C1CC1,ZCKFBGGWDMXOOP-UHFFFAOYSA-N
-rxn:4:218824:223926,CN(CC1CN(c2ncc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)cn2)C1)S(=O)(=O)C1CC1,SEMMKFMHIBCFLB-UHFFFAOYSA-N
-rxn:4:218867:226338,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(OC4CCCC4)c3)c2)no1,ZQUXUAJMVVTKGK-UHFFFAOYSA-N
-rxn:4:218868:225605,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C)cnc3OC3CCCC3)cc2)no1,HUSIKKMQHRLNIN-UHFFFAOYSA-N
-rxn:4:218868:226338,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(OC4CCCC4)c3)cc2)no1,QZKXAJSGPVDGPO-UHFFFAOYSA-N
-rxn:4:218877:225254,O=C(CN1CCOC1=O)N1CCCC(Oc2ncc(-c3ccc(C(F)(F)F)c4cccnc34)cn2)C1,SUKZIKPSNMAKKH-UHFFFAOYSA-N
-rxn:4:218886:223811,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cn2)C1,NSTLLHSYKKXJJR-UHFFFAOYSA-N
-rxn:4:218886:224750,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(Cl)c(C(=O)N4CCOCC4)c3)cn2)C1,VYVWQOHJTBBJIJ-UHFFFAOYSA-N
-rxn:4:218888:223945,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,IZAYMCQQBZAHRO-UHFFFAOYSA-N
-rxn:4:218919:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnccc2OC2CCN(C(=O)Cn3cnc(C)cc3=O)C2)CC1,FBXJKNSLNICASY-UHFFFAOYSA-N
-rxn:4:218944:227211,CCCCSc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cn1,QGJMYSZCTJHZBO-UHFFFAOYSA-N
-rxn:4:218944:227387,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(N4CCCC4)c3)cc2[N+](=O)[O-])CC1,RMGYEGLNSIIKPS-UHFFFAOYSA-N
-rxn:4:218948:222848,CCc1cc(-c2cnc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc(C2CCCNC2)n1,MSMNEBDHHGOTBZ-UHFFFAOYSA-N
-rxn:4:218972:224171,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCCC5)c(F)c4)cn3)C2)s1,SBOKHLMBMUVOHI-UHFFFAOYSA-N
-rxn:4:218975:223999,Cc1cccnc1OCC1CCN(c2ncc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)cc2C#N)CC1,ZFJIVPMSHDARIN-UHFFFAOYSA-N
-rxn:4:218976:224576,CC(C)(C)c1ccc(-n2cc(-c3cnc(OC4CCN(C5CCN(CC(F)(F)F)C5=O)CC4)nc3)cn2)cc1,KFQKAQNMHYRBPN-UHFFFAOYSA-N
-rxn:4:218991:224704,CC1CCN(c2cc(-c3cn(C)nc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc(F)c2F)CC1,ZNZQYXLNJAJWNC-UHFFFAOYSA-N
-rxn:4:218992:223054,CC(c1ccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)s1)N1CCC(O)C1,AGXZMPBQFUQORR-UHFFFAOYSA-N
-rxn:4:218992:226236,CCCCOc1ncc(C)cc1-c1cnn(CC2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)c1,HZYJVOIULDNHII-UHFFFAOYSA-N
-rxn:4:219000:222747,O=C(NCC1CCCO1)c1ccc(-c2ccc(S(=O)(=O)N3CCN(CCn4ncccc4=O)CC3)cc2)cc1,SDMDJJAHYQENDG-UHFFFAOYSA-N
-rxn:4:219119:226716,CC(=O)C(C)n1c(-c2ccn(C(=O)OC(C)(C)C)n2)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,XBSGWRNIMMPXRA-UHFFFAOYSA-N
-rxn:4:219125:224022,O=C(CCc1ccccc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N1C2CCC1CC(n1nccn1)C2,ZIOBKIUVQIFXOM-UHFFFAOYSA-N
-rxn:4:219142:223221,CC(=O)NCc1cccc(-c2cc(C#N)c3[nH]nc(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,ITQAOXWJCGLFAL-UHFFFAOYSA-N
-rxn:4:219144:224182,Cc1cc(-c2cnc(OC3CCN(CCN4C(=O)c5ccccc5C4=O)CC3)nc2)ccc1OCCN1CCOCC1,MZZKLYLOCDAMRP-UHFFFAOYSA-N
-rxn:4:219144:224252,CC1CCCN(C(=O)c2ccc(-c3cnc(OC4CCN(CCN5C(=O)c6ccccc6C5=O)CC4)nc3)cc2F)C1,LNJAMNRJTJLMMA-UHFFFAOYSA-N
-rxn:4:219281:225436,Cn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1ccc(CN2CCCCC2)cc1,GYQOONPTROPATC-UHFFFAOYSA-N
-rxn:4:219410:223174,CCS(=O)(=O)Nc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1,PKZYPFNIDKMZII-UHFFFAOYSA-N
-rxn:4:219431:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)cc1S(=O)(=O)NC1CCCC1,POBJXPIMYNATOT-UHFFFAOYSA-N
-rxn:4:219477:222694,O=C(c1ccccc1-c1cccc(S(=O)(=O)NC2CCCCC2)c1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,JKRBPTZWUHFRCS-UHFFFAOYSA-N
-rxn:4:219479:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(Cl)c(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)cn1,RXZBUBQPQPMZLE-UHFFFAOYSA-N
-rxn:4:219501:226259,CCCCOc1ccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1Cl,AJGZXSQXYMRDJE-UHFFFAOYSA-N
-rxn:4:219532:223787,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,UZIGOOIPKVPDFO-UHFFFAOYSA-N
-rxn:4:219537:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1S(=O)(=O)NC1CCCCC1,DBWYVYCQIKHQQU-UHFFFAOYSA-N
-rxn:4:219541:222706,Cc1cnc(N(C)C2CCCN(C(=O)c3ccccc3-c3cc(C4CCNCC4)ccc3C(F)(F)F)C2)nc1,QNDHVADXGLQTGS-UHFFFAOYSA-N
-rxn:4:219541:224355,Cc1cnc(N(C)C2CCCN(C(=O)c3ccccc3-c3ccc(N4CCC5(CC4)OCCO5)nc3)C2)nc1,VFEOZDDCFSHQNU-UHFFFAOYSA-N
-rxn:4:219569:223185,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnc(C3CNCCO3)nc2)cc1[N+](=O)[O-],VFYDAKVALQWBFL-UHFFFAOYSA-N
-rxn:4:219653:224198,CCN1CCN(Cc2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c(F)c2)CC1,ICZDOFXVTNFZCV-UHFFFAOYSA-N
-rxn:4:219653:224668,CCN1CCN(c2cc(F)cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c2)CC1,BRGAFEAHXSLDPO-UHFFFAOYSA-N
-rxn:4:219654:222819,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(NC(=O)N5CCOCC5)nc4)cc23)CC1,BAJWSOWUPLTLKG-UHFFFAOYSA-N
-rxn:4:219688:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)nn3c2)cc1,WYZSVOBAMOBUOE-UHFFFAOYSA-N
-rxn:4:219706:225830,Cc1nc(N2CCCCC2)ncc1-c1cc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2cc1Cl,JEBPLTGMSYKXCT-UHFFFAOYSA-N
-rxn:4:219707:225830,Cc1nc(N2CCCCC2)ncc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F,VUHMRTQFERTFNX-UHFFFAOYSA-N
-rxn:4:219750:222573,COc1ccc(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,SJPSTEIQMMZFEA-UHFFFAOYSA-N
-rxn:4:219759:224798,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(OC(F)(F)F)ccc4OC(C)C)cc2)OC3)CC1,OCVFPSSPMSMXMK-UHFFFAOYSA-N
-rxn:4:219903:225114,CC(C)N1CCN(c2ncc(-c3csc(CO[Si](C)(C)C(C)(C)C)c3)cc2[N+](=O)[O-])CC1,ZFALUCLONIALCZ-UHFFFAOYSA-N
-rxn:4:219907:224360,COC(=O)c1ccc(-c2ccc(-n3nnc(C(=O)N4CCOCC4)c3C)cc2)n1C(=O)OC(C)(C)C,NXVHWEMJZBELSL-UHFFFAOYSA-N
-rxn:4:219933:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cccc(CN4CCN(c5ccncn5)CC4)c3)cc2)CC1,DCFBSWDLRUMBBW-UHFFFAOYSA-N
-rxn:4:220120:223970,Cc1ccc(-c2ccc(C(=O)N3C4CCC3CC(n3ccnn3)C4)cc2)cc1S(=O)(=O)N1CCC(C)CC1,IWALVGUXQNKBGK-UHFFFAOYSA-N
-rxn:4:220204:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)c1,VGEOASFIFKENHK-UHFFFAOYSA-N
-rxn:4:220221:224818,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cc2)OC3)CC1,OHYOHBGAHCJFMV-UHFFFAOYSA-N
-rxn:4:220226:223732,Cc1ccc(C(C)C)c(OCc2ccccc2-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)ncc3c2)c1,HHOWFFXMCGDBMW-UHFFFAOYSA-N
-rxn:4:220429:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c2)CC1,PWNZNGIRVRVTQK-UHFFFAOYSA-N
-rxn:4:220429:224462,c1cc(C2CCN(C3CC3)CC2)ccc1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,FRYGWKVVJGIIBU-UHFFFAOYSA-N
-rxn:4:220531:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCC(c5noc6cc(F)ccc56)CC4)nc3)c2)CC1,YCDZGOOVJBBEHO-UHFFFAOYSA-N
-rxn:4:220533:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(N2CC(N3CC4CCCC4C3)C2)nc1,GOUAPZSCAUUDGK-UHFFFAOYSA-N
-rxn:4:221098:222923,Cc1ccc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)nc2)cc1S(=O)(=O)NC1CC1,DNBZTTSCPFYGEZ-UHFFFAOYSA-N
-rxn:4:221110:228373,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccc(Cl)c(C#N)c4F)cn3)CC2)CC1,YKEZPQMKFCSHRU-UHFFFAOYSA-N
-rxn:4:221115:223170,CCOc1ccc(-c2cnc(C3CCCNC3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,XRXSHZKJZMWKAT-UHFFFAOYSA-N
-rxn:4:221121:222401,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cccc(C(=O)Nc6nnn[nH]6)c5)ccc43)CC2)CC1,BFJYFUAHCWLEAQ-UHFFFAOYSA-N
-rxn:4:221121:225829,CC1CCN(c2ncc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cn2)CC1,YTVKZYOJWDCAOC-UHFFFAOYSA-N
-rxn:4:221163:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(OC)cc3C(=O)N3CC(c4nc(-c5ncccn5)no4)C3)c2)CC1,TWLWPPHQBFVDHZ-UHFFFAOYSA-N
-rxn:4:221180:224650,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)ccc4OCC4CCOCC4)cn3)CC2)nn1C,ALYNUZQABPSANL-UHFFFAOYSA-N
-rxn:4:221181:224772,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)cn3)C2)nn1C,JZCNLYNHYODXGG-UHFFFAOYSA-N
-rxn:4:221230:224817,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccccc4S(=O)(=O)N4CCOCC4)cn3)C1)CCC2,NOLOELHFIYKYKU-UHFFFAOYSA-N
-rxn:4:221232:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)cc2)CC1,RQFIPUTXBKYFLW-UHFFFAOYSA-N
-rxn:4:221250:224880,O=C(CN1CCCCC1)N1N=C(c2ccc(-c3ccccc3CN3CCCCCC3)cc2)CC1c1nc2ccccc2[nH]1,URJGPDQZYOGTNH-UHFFFAOYSA-N
-rxn:4:221379:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(N(C)c5ncc(Cl)cn5)CC4)c3)c(F)c2)CC1,KQEYFRVNCNKQCI-RQNOJGIXSA-N
-rxn:4:221387:223536,Cc1ncnc(OCC2CCN(c3ncc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)c1C,ZAIDUFXXWKRFRJ-UHFFFAOYSA-N
-rxn:4:221431:223153,CCNC(=O)c1cc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)ccc1Cl,SGBBVLNDMNOJLP-UHFFFAOYSA-N
-rxn:4:221437:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)o1,FYMXVKTXSLZGLC-UHFFFAOYSA-N
-rxn:4:221441:223028,CCCNC(=O)c1ccc(F)c(-c2cccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)c1,GKBLSPBNXKLFMW-UHFFFAOYSA-N
-rxn:4:221445:225547,CCCCOc1cc(F)c(C)cc1-c1cccc(CN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1,JRKYLTADPAWIFA-UHFFFAOYSA-N
-rxn:4:221449:223140,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,KWXGKNMXJTVWLK-UHFFFAOYSA-N
-rxn:4:221451:227367,CCOc1cc(Cl)c(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1C,ZRRHEBSNOCOKOA-UHFFFAOYSA-N
-rxn:4:221618:223768,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)nc2)c2ccc(C#N)cc21,DMLBBPBRVRWHEQ-UHFFFAOYSA-N
-rxn:4:221703:223785,CCN1CCN(CCOc2ccc(-c3cnc(N4CC5CN(c6ncccc6C(F)(F)F)CC5C4)nc3)cc2Cl)CC1,WHMJPSCBJRFYBW-UHFFFAOYSA-N
-rxn:4:221726:222522,COc1ccc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,DASLDOTZNFUJBQ-UHFFFAOYSA-N
-rxn:4:221726:222976,Cc1cc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1C(=O)NC1CC1,OIRIICWDOHLPGU-UHFFFAOYSA-N
-rxn:4:221726:224394,Cc1ccc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,SBCKQKYSQKVPDB-UHFFFAOYSA-N
-rxn:4:221726:225623,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cccc(OC4CCOCC4)c3)cn2)CC1,INMOHPCTLAQMPW-UHFFFAOYSA-N
-rxn:4:221740:223588,CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cc2)n(C)c1=O,OYICYLUVIWILLD-UHFFFAOYSA-N
-rxn:4:221744:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(-n4c(C)c(C)n5c6c(=O)n(CC(C)=O)c(=O)n(C)c6nc45)cc3)c2)CC1,ONKXLVYIAMNKFR-UHFFFAOYSA-N
-rxn:4:221832:222522,COc1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,IANZSPDSGRSSMI-UHFFFAOYSA-N
-rxn:4:221938:222584,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)nn1,MMUATNAQBNJFHU-UHFFFAOYSA-N
-rxn:4:221962:223788,CC(C)c1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccc(OC6CN(C(=O)OC(C)(C)C)C6)cc5)c4)CC3)nn2)n1,GBRAOYPWHWWVIA-UHFFFAOYSA-N
-rxn:4:221965:224481,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN6CCCC6)cc5)cc4)CC3)nn2)CC1,VJPPDKKACFTADI-UHFFFAOYSA-N
-rxn:4:221980:225174,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(F)cc5CN5CCOCC5)c4)sc3n2)CC1,KCRGIJPBGJBSSM-UHFFFAOYSA-N
-rxn:4:221981:224484,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6ccccc6C(=O)N(C(C)C)C(C)C)c5)no4)C3C2=O)cc1,LXJIXQLHFUPMTI-UHFFFAOYSA-N
-rxn:4:221997:223598,Cn1cc(C(=O)N2CC(Cn3cc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)cn3)C2)nn1,XDLNBMAUQOMWEI-UHFFFAOYSA-N
-rxn:4:222049:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccccc3C(=O)N3CCN(c4ccc(-n5nc(C)cc5C)nn4)CC3)c2)CC1,LALSVXGALFBKAH-UHFFFAOYSA-N
-rxn:4:222062:222741,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)CC2)n1,IOUNOJIXYYFKDP-UHFFFAOYSA-N
-rxn:4:222062:228311,CCCc1ncc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)c(Cl)n1,LUDUTGCAKAMSRI-UHFFFAOYSA-N
-rxn:4:222075:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(c5nccn6nc(C7CC7)cc56)C4)c3)c(F)cc2C)CC1,LURCMGVIBPHDOH-UHFFFAOYSA-N
-rxn:4:222077:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nccn6nccc56)C4)nc3)c(F)cc2C)CC1,ZMDCDOATHOEOSQ-UHFFFAOYSA-N
-rxn:4:222089:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(F)cc5)C(=O)C43)n2)cc1,AECFSNOWKAJLOQ-UHFFFAOYSA-N
-rxn:4:222102:222847,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C#N)cc(C7CCCNC7)c6)cc5)no4)C3C2=O)cc1,HQYOKUQPVSIOMU-UHFFFAOYSA-N
-rxn:4:222108:225771,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)c1OC(C)C,MQCGKJGDPLJXDA-UHFFFAOYSA-N
-rxn:4:222138:223768,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cn(C(=O)OC(C)(C)C)c3cc(C#N)ccc23)cc1,ZRQWHHPGSSVAOU-UHFFFAOYSA-N
-rxn:4:222143:223915,Cc1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCCCC4)c(=O)n3C)cc2)cnc1N(C)C(=O)c1ccccc1,LQEVMFZBTAYCSQ-UHFFFAOYSA-N
-rxn:4:222168:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1,BLBBLFGNSCLXCL-UHFFFAOYSA-N
-rxn:4:222193:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)c(F)c2)CC1,QTRYPMIZGQFGQN-YHBQERECSA-N
-rxn:4:222331:223932,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc2c(Cl)cccc21,WJPRTLARFPPTSM-UHFFFAOYSA-N
-rxn:4:222362:223904,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(C7CN(C(=O)OC(C)(C)C)C7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,YNLPXDNTOVQHNT-UHFFFAOYSA-N
-rxn:4:222362:223979,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)N7CCCCC7)cc([N+](=O)[O-])c6)cc6[nH]ncc56)nn4)cn3c2)CC1,VXINPISFNGNMMR-UHFFFAOYSA-N
-rxn:4:222380:223867,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(OCCCN7CCC(C)CC7)c6)cn5)CC4C3)ncnc21,ZFGHEKATWZEHNN-UHFFFAOYSA-N
-rxn:4:222389:194615,O=C1C=CC(=NS(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)c2ccccc21,YQECYMBQZSUQTL-UHFFFAOYSA-N
-rxn:4:222523:176516,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(F)c2C(=O)C(F)F)c(C(F)(F)F)c1,MVADQBJSCYPHFD-UHFFFAOYSA-N
-rxn:4:222540:206797,CS(=O)(=O)N1CCOC(c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)C1,MKPQVFZSETYMQU-UHFFFAOYSA-N
-rxn:4:222543:185094,COc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)c1,YMQGOZUFTKAOQW-UHFFFAOYSA-N
-rxn:4:222681:187971,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3cccc(CNC(=O)OC(C)(C)C)c3F)cc21,RTAZUWVCVNLTSJ-UHFFFAOYSA-N
-rxn:4:222752:184093,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CCS(=O)(=O)C2)cc1,GGKALOPOLUGVQF-UHFFFAOYSA-N
-rxn:4:222781:185094,COc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2cnc(C)cc2NC(=O)OC(C)(C)C)c1,OSUYBRFZBXLCPL-UHFFFAOYSA-N
-rxn:4:222820:187205,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2C2CN(C(=O)OC(C)(C)C)C2)cc1F,FXOBYVIEUGEURI-UHFFFAOYSA-N
-rxn:4:222871:184181,CC(C)CNC(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)cc1Cl,WWQBHPMFSLEFCR-UHFFFAOYSA-N
-rxn:4:222941:174522,CONS(=O)(=O)c1c(C)cc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1C,FLJSMXUJNWTYHW-UHFFFAOYSA-N
-rxn:4:222971:183986,Cc1cc(-c2ccc(NC(=O)C(C)(C)C)cc2)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,ZACSHGBQLFOOGS-UHFFFAOYSA-N
-rxn:4:223520:199492,CCOC(=O)C(CC(C)C)n1cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,KBGITNABXUCELY-UHFFFAOYSA-N
-rxn:4:223570:174009,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,ZOYQPKXGSQUVRV-UHFFFAOYSA-N
-rxn:4:223650:176182,CC(C)c1cc(C(C)C)c(-c2ccccc2-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)c(C(C)C)c1,NJYROKYGBKMQPX-UHFFFAOYSA-N
-rxn:4:223671:206195,Cc1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1C(=O)N1CCC1,YPAPVZNGNQOTLW-UHFFFAOYSA-N
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-rxn:5:178315:225499:227037,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCC3)cc2F)cc(-c2cc(C#N)ccc2C2CC2)c1,KGWJBSVGRJOMLM-UHFFFAOYSA-N
-rxn:5:178315:225671:227108,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCC3)ccc2F)cc(-c2cc(C3CCCCC3)ncc2F)c1,FXFWTKXISHZJGM-UHFFFAOYSA-N
-rxn:5:178315:225672:226916,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3=CCCC3)c2)cc(-c2cc(F)nc(C3CCCCC3)c2)c1,AMPRECVBHUVKQF-UHFFFAOYSA-N
-rxn:5:178315:225814:227086,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3(C(F)(F)F)CC3)c2)cc(-c2ccnc(C3CCCC3)c2)c1,VFQAOGOOMQRSPF-UHFFFAOYSA-N
-rxn:5:178353:226324:222959,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cccnc3OC3CCCC3)cc2C)ccc1-c1ccc(C2CCNCC2)c(C)c1,UTVWZPBNRNRWGV-UHFFFAOYSA-N
-rxn:5:178466:222989:223018,Cc1cc(N2CCNCC2)ccc1-c1ccc2c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c(C(=O)OC(C)C)sc2c1,VSXJNYWXPNIFCZ-UHFFFAOYSA-N
-rxn:5:178467:223056:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3ccc(N4CCC(O)CC4)nc3)c2OC1,OHAMDQLEQSDCMG-UHFFFAOYSA-N
-rxn:5:178467:223134:227701,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)ncc3F)cc(-c3cnccc3C3CCCNC3)c2OC1,BZEQBBGVBUGISM-UHFFFAOYSA-N
-rxn:5:178467:223136:227501,CCOC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3ccncc3C3CCCNC3)c2OC1,VNCTVSZOCPAPBC-UHFFFAOYSA-N
-rxn:5:178467:223140:227506,CCOC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,AYBLFRPRNNYJFK-FMIVXFBMSA-N
-rxn:5:178467:225515:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cccc4c3OCC(C)(C)CO4)c2OC1,WRSVDCPKFSFHPM-UHFFFAOYSA-N
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-rxn:5:178467:225794:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3cnc(OC4CCCCC4)nc3)c2OC1,ULHXZWXDPUABAD-UHFFFAOYSA-N
-rxn:5:178467:225976:228964,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)s3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,NOVRXGMPJYEALO-UHFFFAOYSA-N
-rxn:5:178467:226331:227626,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCOC4)nc3)cc(-c3ccc(C4(C#N)CC4)cc3F)c2OC1,CULPPQVVMMVEEE-UHFFFAOYSA-N
-rxn:5:178467:226374:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cncnc3C3CCCCC3)c2OC1,YCWDAEUOGUDCOY-UHFFFAOYSA-N
-rxn:5:178467:226645:226085,CCOC(=O)C1=Cc2cc(-c3ccc4c(c3)CCC(C)(C)O4)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,IFYRTGOCWHVKBD-UHFFFAOYSA-N
-rxn:5:178467:227710:226685,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCOCC4)nc3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,HAYKCKJGSJAUTJ-UHFFFAOYSA-N
-rxn:5:178467:228099:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cncc(N(C)CC)c3)c2OC1,XKDYARQVPQZYJO-UHFFFAOYSA-N
-rxn:5:178467:228317:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(C(=O)OC)nc3)c2OC1,UKAIXHSDDUEZBK-UHFFFAOYSA-N
-rxn:5:178467:228974:225794,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCCCC4)nc3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,PXVOKUNPRSUPSG-UHFFFAOYSA-N
-rxn:5:179404:225594:223054,COc1c(C(C)=O)cc(-c2ccc(C(C)N3CCC(O)C3)s2)cc1-c1ccc(F)cc1CN1CCCC1,AOENGRCTFVYBTM-UHFFFAOYSA-N
-rxn:5:179405:223054:225831,COc1c(-c2ccc(C(C)N3CCC(O)C3)s2)ccc(-c2cnc(N3CCOCC3)c(C)c2)c1C(C)=O,LALDKDLFJQTHNM-UHFFFAOYSA-N
-rxn:5:179629:225657:222960,COc1ccc(-c2ccc(N3CCOCC3)c(C)c2)c(S(C)(=O)=O)c1-c1cc(C)cc(C2CCNCC2)c1,ZCLUCKHJMYFYCQ-UHFFFAOYSA-N
-rxn:5:179629:225803:226583,COc1ccc(-c2ccnc(OC3CCOCC3)c2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,SBIDDTDFLFWJTA-UHFFFAOYSA-N
-rxn:5:179629:225805:226427,COc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(S(C)(=O)=O)c1-c1cc(N2CCC(C)CC2)cs1,CVJNBZDLJNXHQS-UHFFFAOYSA-N
-rxn:5:180021:223148:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccccc1C1CNCCO1,HBMLCIPUWZBWLD-UHFFFAOYSA-N
-rxn:5:180022:225926:223294,COc1c(-c2csc(N3CCNCC3)n2)ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1C1OCCO1,DOUXPOBJNHFZIH-UHFFFAOYSA-N
-rxn:5:180022:225986:225798,COc1c(-c2ccc(OC3CCOCC3)nc2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,VTOKUJTUNRLVKL-UHFFFAOYSA-N
-rxn:5:180022:225986:226661,COc1c(-c2cc(N3CCN(C)CC3)cs2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,LDMVFJKPAIGMRQ-UHFFFAOYSA-N
-rxn:5:180421:225832:227093,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1cccnc1C1CCCC1,DIGPLZBFQGSKQI-UHFFFAOYSA-N
-rxn:5:180422:225832:227452,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1cccc(C2OCCO2)c1,MLIKOUDEAJEYOM-UHFFFAOYSA-N
-rxn:5:180662:223065:227691,COC(=O)C1=Cc2cc(-c3ccc([N+](=O)[O-])c(OC)c3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,NQDXVWVJPDHGHW-UHFFFAOYSA-N
-rxn:5:180662:223065:227770,COC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,LJZDVEYXOIQNBM-UHFFFAOYSA-N
-rxn:5:180662:223139:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,IDTCVPODLQOWOQ-UHFFFAOYSA-N
-rxn:5:180662:223139:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,YWHJIPBZTYDCRS-UHFFFAOYSA-N
-rxn:5:180662:226144:223139,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,PXOAQJAMBIEGOL-UHFFFAOYSA-N
-rxn:5:181625:225805:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1,IKQCYDPVRUYWFW-UHFFFAOYSA-N
-rxn:5:181906:222957:226686,Cc1cc(-c2ccc(C)c(-c3c(C)cnn3C3CCCCO3)c2C2OCCO2)cc(C2CCCNC2)c1,NHNJWBWWCWIVAU-UHFFFAOYSA-N
-rxn:5:181907:226686:225461,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(N3CCCCC3)cc2C)c(C2OCCO2)c1,MVXMAROEQYZVMZ-UHFFFAOYSA-N
-rxn:5:181908:225581:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(CN3CCOCC3)cc2)cc(C2CCNCC2)c1,MMRMMWVFILXOPK-UHFFFAOYSA-N
-rxn:5:181908:226686:225653,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(N3CCCCC3C)nc2)cc1C1OCCO1,KAVJYUYFGVEZFB-UHFFFAOYSA-N
-rxn:5:182009:222960:226686,Cc1cc(-c2ccc(-c3c(C)cnn3C3CCCCO3)cc2C2CCOCC2)cc(C2CCNCC2)c1,XXGRARQIXPFZSB-UHFFFAOYSA-N
-rxn:5:182009:225653:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCCCC3C)nc2)c(C2CCOCC2)c1,GPJYGIHATXFVIT-UHFFFAOYSA-N
-rxn:5:182009:225832:227103,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2sccc2C2CCCCC2)cc1C1CCOCC1,BGWZDSLUPBOFCQ-UHFFFAOYSA-N
-rxn:5:182011:226197:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1ccc(C2CCCOC2)cc1,FZVPIIFSVMWNDD-UHFFFAOYSA-N
-rxn:5:182012:225589:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(CN3CCSCC3)cc2)cc1C1CCCOC1,JKZXLEZTSSUMQT-UHFFFAOYSA-N
-rxn:5:188633:222987:223061,COC(=O)c1c(-c2ccc(C3CCNCC3)nc2C)cnc(OC)c1-c1cc(C2CCNCC2)ncc1F,YZRWIGUJJJPHPR-UHFFFAOYSA-N
-rxn:5:188633:222987:223062,COC(=O)c1c(-c2ccc(C3CCNCC3)nc2C)cnc(OC)c1-c1cnc(C2CCNCC2)cc1F,IXXZNZACFWJZOQ-UHFFFAOYSA-N
-rxn:5:188633:222987:223064,COC(=O)c1c(-c2ccc(C3CCNCC3)nc2C)cnc(OC)c1-c1ccc(C2CCNCC2)nc1F,PRXZSBLFHCLNRR-UHFFFAOYSA-N
-rxn:5:188787:226335:223061,N#Cc1cc(-c2cc([N+](=O)[O-])c(OC3CC3)cc2-c2cc(C3CCNCC3)ncc2F)ccc1C1COC1,OQSLWWYBOWJPGE-UHFFFAOYSA-N
-rxn:5:188930:223056:226321,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccc(SC2CCCC2)nc1,PXXCWFUKZFFCOZ-UHFFFAOYSA-N
-rxn:5:188930:226321:223062,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(SC3CCCC3)nc2)cc1-c1cnc(C2CCNCC2)cc1F,CJZYVWDXRWJDIT-UHFFFAOYSA-N
-rxn:5:188930:226645:226649,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(N3CCOCC3)c2)cc1-c1cccnc1N1CCOCC1,GDKYHSJTHCEMGH-UHFFFAOYSA-N
-rxn:5:188932:226649:226649,COC(=O)c1cc(-c2cccnc2N2CCOCC2)c(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)c1,ARCJHBSNMBXCSG-UHFFFAOYSA-N
-rxn:5:189001:226898:223294,COC(=O)C1(c2nc(-c3csc(N4CCNCC4)n3)ccc2-c2cn(S(=O)(=O)N(C)C)nc2C)CC1,IZQNWRZWCIDBSZ-UHFFFAOYSA-N
-rxn:5:189001:227803:223063,COC(=O)C1(c2nc(-c3cc(F)nc(C4CCNCC4)c3)ccc2-c2ccnn2S(=O)(=O)N(C)C)CC1,MRNJGHLYKZPYSU-UHFFFAOYSA-N
-rxn:5:189207:225470:226862,CC1CCN(c2ccc(-c3ccc(-c4cccc(OC(F)(F)F)c4F)c(C(=O)ON4C(=O)CCC4=O)c3)cc2)CC1,MGQNUYVPTGVTIG-UHFFFAOYSA-N
-rxn:5:189210:226679:228677,CC(C)Cn1cc(-c2cccc(-c3cnc(N4CCCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)cn1,UOMNAJSXNJRMRE-UHFFFAOYSA-N
-rxn:5:189211:227509:222987,Cc1nc(C2CCNCC2)ccc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1cnc(F)c(OC(C)C)c1,ZYUZYBATAZHVMR-UHFFFAOYSA-N
-rxn:5:189448:225593:226137,COC1CN(C(=O)c2ccc(-c3cc(F)cc(CN4CCCC4)c3)c(-c3cc(C4CC4)cnc3C(C)C)c2)C1,JXCOZRUWNLBHHZ-UHFFFAOYSA-N
-rxn:5:189449:223064:228140,COC1CN(C(=O)c2cc(-c3ccc(C(C)N(C)C)s3)ccc2-c2ccc(C3CCNCC3)nc2F)C1,UYMGALDYALXCDV-UHFFFAOYSA-N
-rxn:5:189449:226764:226782,COC(=O)c1cc(F)c(-c2ccc(-c3ccc(F)c(C(=O)OC)c3F)c(C(=O)N3CC(OC)C3)c2)cc1F,HXUBLJWDIOBLRJ-UHFFFAOYSA-N
-rxn:5:189512:225593:225798,O=[N+]([O-])c1ccc(-c2cc(F)cc(CN3CCCC3)c2)cc1S(=O)(=O)c1cccc(-c2ccc(OC3CCOCC3)nc2)c1,PXARTPFDRHCOIR-UHFFFAOYSA-N
-rxn:5:189664:225591:223144,O=C(Cc1ccc(-c2cc(CN3CCCC3)ccc2F)cc1-c1ccc(N2CCC(O)C2)cc1)N1CCCC1,OHIYXZGGUNLTEO-UHFFFAOYSA-N
-rxn:5:189665:225657:227710,Cc1cc(-c2cnc(OCC3CCOCC3)c(-c3ccc(OS(C)(=O)=O)cc3)c2)ccc1N1CCOCC1,LURTWLZARGYSNS-UHFFFAOYSA-N
-rxn:5:189665:227710:225657,Cc1cc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)cnc2OCC2CCOCC2)ccc1N1CCOCC1,UGOYBPSGPUWYQM-UHFFFAOYSA-N
-rxn:5:189665:227710:225661,Cc1cc(N2CCOCC2)ccc1-c1cc(-c2ccc(OS(C)(=O)=O)cc2)cnc1OCC1CCOCC1,QVTUKKACYORHGN-UHFFFAOYSA-N
-rxn:5:189667:225499:226918,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3=CCCC3)cc2)cc(-c2ccc(C3CCCCC3)cc2F)c1,GVYUWWYLDWIAHU-WKCCFCLWSA-N
-rxn:5:189676:225451:227029,CC(C)(C#N)c1ccccc1-c1ccc(CC(=O)N2CCCC2)cc1-c1ccc(SC2CCCCC2)cc1,JHWIXMSFHHJIIC-UHFFFAOYSA-N
-rxn:5:189908:225625:226134,Cc1c(-c2ncc(-c3cc(OC4CCCC4)ccc3F)cc2OCC2CCCCC2)cc(C#N)cc1C1CC1,DWYUAWWDOSKNIB-UHFFFAOYSA-N
-rxn:5:189910:226898:225639,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(-c2cccnc2N2CCC(C)CC2)c(CCN2CCOCC2)c1,UBWVGEYHGACEPM-UHFFFAOYSA-N
-rxn:5:189952:228475:226183,COc1c(-c2cnccc2C2CCCCC2)cc(C(=O)N2CCOCC2)cc1-c1cccc([N+](=O)[O-])c1F,QKCWVNFFYMOGET-UHFFFAOYSA-N
-rxn:5:190001:227052:226067,CC(C)(C)Sc1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(C3=CCCCC3)cc2)cc1,YHDITMAXUHRRDN-UHFFFAOYSA-N
-rxn:5:190127:225440:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc(C4(C#N)CCCC4)cc3)cc2C(=O)N2CCC(OC)CC2)c1,LKHPHXPQPATPKC-UHFFFAOYSA-N
-rxn:5:190127:227935:226069,CCc1cc(-c2ccc(-c3cccc(C4CCCCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)ccc1OC,CWXXKPSCOZRXJH-UHFFFAOYSA-N
-rxn:5:190194:225451:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(SC3CCCCC3)cc2)ccc1OC,YPXJAWOTIKFDFV-UHFFFAOYSA-N
-rxn:5:190194:227940:225498,CCc1cc(SC)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCCCC3)ccc2F)c1,DDINBXKOAZFPOA-UHFFFAOYSA-N
-rxn:5:190195:223065:223113,CN(Cc1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,BAILYZOQCZGVHK-UHFFFAOYSA-N
-rxn:5:190199:223056:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(CN(C)C2CCOCC2)c1,VDPYRAJPPGRKML-UHFFFAOYSA-N
-rxn:5:190265:227525:227704,CCc1cnc(C(F)F)cc1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1cc(C(F)F)ncc1OC,SVDYFGYXBQVHMT-UHFFFAOYSA-N
-rxn:5:190299:226946:226438,COc1ccc(-c2ccc3c(c2)CCN(C)C3)cc1C=C1SC(=O)N(c2ccc(-c3cnc(C4CCCC4)cc3F)cc2)C1=O,XUKDPNFFLFZTHU-UHFFFAOYSA-N
-rxn:5:190309:225394:225886,CC1CCCCN1CCc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1,UDXLGMZFZYSJCL-UHFFFAOYSA-N
-rxn:5:190335:225886:226910,CCC(C)(C)c1ccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2OC)cc1,MCLVYUNJDJRHRS-UHFFFAOYSA-N
-rxn:5:190337:225611:228477,COc1cc(N2CCCC2)ccc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cnccc2C(F)(F)F)c1OC,QFXDFGZXUOJGBQ-UHFFFAOYSA-N
-rxn:5:190337:228177:227052,COCc1ccc(F)cc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2ccc(SC(C)(C)C)cc2)c1OC,JFBCZCWYLVGDLN-UHFFFAOYSA-N
-rxn:5:190337:228178:226911,CCc1cc(C)cc(CC)c1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cc(COC)ccc2F)c1OC,LBFZLSZXOIBEDM-UHFFFAOYSA-N
-rxn:5:190484:223242:227501,O=C(c1cccc(-c2ccnc(C3CCNC3)c2)c1)N1CCC(c2ccccc2-c2ccc(C=C[N+](=O)[O-])cc2)S(=O)(=O)CC1,HNNWWFPRNITAHX-UHFFFAOYSA-N
-rxn:5:190484:223242:227505,O=C(c1cccc(-c2ccnc(C3CCNC3)c2)c1)N1CCC(c2ccccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)S(=O)(=O)CC1,HNNWWFPRNITAHX-XMHGGMMESA-N
-rxn:5:190484:226645:228895,O=C(c1cccc(-c2ccnc(N3CCOCC3)c2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])cc2)S(=O)(=O)CC1,SRFDBTAJRTXMIW-UHFFFAOYSA-N
-rxn:5:190484:227390:226759,COc1cc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccnn4C4CCCCC4)c3)CCS2(=O)=O)cc(C(F)(F)F)c1,RWFXYVGBAMNMSE-UHFFFAOYSA-N
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-rxn:5:197876:226326:225456,CN1CCC(c2ccc(-c3cc4c(cc3-c3cccc(C5(C#N)CC5)c3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,RTBODAHTZWQVGO-UHFFFAOYSA-N
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-rxn:5:197876:226589:227717,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(F)cc1OC(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,AZTGOAROWAYPPC-UHFFFAOYSA-N
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-rxn:5:197876:226605:227909,CCC(C)c1cc(-c2cc3c(cc2-c2cc(F)c(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,OKNKPBBEHNHCAW-UHFFFAOYSA-N
-rxn:5:197876:226610:228431,CCc1cc(-c2cc3c(cc2-c2cc(F)cc(F)c2SC)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,GUSBIMZRCMABMH-UHFFFAOYSA-N
-rxn:5:197876:226762:226189,CSc1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,DQFRDHNBLJHQGI-UHFFFAOYSA-N
-rxn:5:197876:226762:227044,CSc1cc(-c2cc3c(cc2-c2ccc(C(=O)C4CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,NXQXUMJLWGWUAA-UHFFFAOYSA-N
-rxn:5:197876:226762:227947,CSc1cc(-c2cc3c(cc2-c2c(C)cc(C#N)cc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,SPONKAJKDBCVHO-UHFFFAOYSA-N
-rxn:5:197876:226762:228268,CSc1cc(-c2cc3c(cc2-c2ccc(C)c(F)c2SC)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,WZXZERDIDQUBKT-UHFFFAOYSA-N
-rxn:5:197876:226766:228253,Cc1ccc(OC(F)(F)F)c(-c2cc3c(cc2-c2ccc(P(C)(C)=O)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,PZUNCCWCZJXPOV-UHFFFAOYSA-N
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-rxn:5:197876:226768:226064,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,MRGYZXSFSJAVNN-UHFFFAOYSA-N
-rxn:5:197876:226779:227087,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2ccc(C(=O)C(F)(F)F)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VQXBELZEJYDANQ-UHFFFAOYSA-N
-rxn:5:197876:226827:227087,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2ccc(C(F)(F)F)c(C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WBMSBJZCESVSIE-UHFFFAOYSA-N
-rxn:5:197876:226848:227989,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(OC)nc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BRSQPUWXZOPPIK-UHFFFAOYSA-N
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-rxn:5:197876:226883:227084,Cc1nc(C(C)(C)C)ccc1-c1cc2c(cc1-c1c(F)ccc(C(F)(F)F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,AGBXCTYGMUSIHI-UHFFFAOYSA-N
-rxn:5:197876:226884:227965,Cc1ccnc(C(C)C)c1-c1cc2c(cc1-c1c(F)cc(C(F)(F)F)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VFYNLCIRAVQAKQ-UHFFFAOYSA-N
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-rxn:5:197876:226912:226150,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cccc(SC4CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WCLRCNWJOKXQTA-UHFFFAOYSA-N
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-rxn:4:174661:223532,CCCCCCc1ccc2c(c1)Cc1cc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc1-2,LNFHGBPXKZBCQT-UHFFFAOYSA-N
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-rxn:4:176262:223831,COc1ccc(-c2cccc(C=C3Oc4cc(OC(=O)C(C)C)ccc4C3=O)c2)cc1S(=O)(=O)N1CCC(C)CC1,ALRANGPADJZHQQ-UHFFFAOYSA-N
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-rxn:4:176316:224487,FC(F)(F)COc1ccc(-c2cccc(OCCN3CCCCC3)c2)cc1C1C2CC3CC(C2)CC1C3,NDAFHKDTSZTZPU-UHFFFAOYSA-N
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-rxn:4:178371:223822,COc1c(-c2cc(C(F)(F)F)ccc2C(=O)OCC(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,JBHSKUFDGZZJIO-UHFFFAOYSA-N
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-rxn:4:178588:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)s1,SXFDSCKPPGTFBX-UHFFFAOYSA-N
-rxn:4:178597:226914,Cc1cc(CC(C)C)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,KPUHCFTXGWMJGB-UHFFFAOYSA-N
-rxn:4:178597:227865,Cc1c(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)sc2ccccc12,HKQXOSDRRUOWHB-UHFFFAOYSA-N
-rxn:4:178597:228988,Cc1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cc1C,XSYDJPPPPAHNOV-UHFFFAOYSA-N
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-rxn:4:180268:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(SC)c(F)c(F)c3[Si](C)(C)C)c2)CC1,LDRDADFJKKQSGK-UHFFFAOYSA-N
-rxn:4:180815:224958,COc1ccc(-c2cccc(OCC3CCCCO3)c2)cc1C12CC3CC(CC(C3)C1)C2,IALBAOGFJDUJMY-UHFFFAOYSA-N
-rxn:4:181543:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4COC4)cc3F)cc(C(F)(F)F)c2)CC1,QEKOXRGZOJTMMO-UHFFFAOYSA-N
-rxn:4:181716:223521,Cc1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2CC2(F)F)c1,NBOMBBDZGNPKNT-UHFFFAOYSA-N
-rxn:4:181830:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C4(C)CCO4)ccc3F)c(F)c2)CC1,HCBSDUVWHBUVBD-UHFFFAOYSA-N
-rxn:4:182228:222465,O=C1CCOc2c1cc(-c1cc(C3CCCCC3)nc(C3CCCNC3)c1)cc2C(F)(F)F,DCFOCGUTDMUBKB-UHFFFAOYSA-N
-rxn:4:182372:224482,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cccc(OCCCN4CCCC4)c3)cc1C2=O,ITOSKGWRKCZGCL-XBTDCMMSSA-N
-rxn:4:183149:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc2c(c1)C1(COC1)CC2=O,GBZZVLWYGNQFDE-UHFFFAOYSA-N
-rxn:4:183187:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cccc4c3C(=O)C(C)(C)C4)cc12,HCZMWMQYVVDCPN-UHFFFAOYSA-N
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-rxn:4:183257:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)COC3(CCOCC3)O4)c(F)ccc21,RGUARUPHOBZUHR-UHFFFAOYSA-N
-rxn:4:183269:223570,Cc1cc2c(cc1-c1c(F)ncc3c1ccn3[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C=CC2(C)C,GMGDFLNPQXJYIN-UHFFFAOYSA-N
-rxn:4:183273:226712,COCCOc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(F)n1,BYCWQWFMRBHSHL-UHFFFAOYSA-N
-rxn:4:183274:226921,Cc1cc(C)c(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,ZTIIWRUGKOZLAD-UHFFFAOYSA-N
-rxn:4:183274:228036,Cc1cc2nccn2cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,FEKZVGAJICGISL-UHFFFAOYSA-N
-rxn:4:183379:225109,CC(C)(C)OC(=O)Oc1cccc(-c2cc3c(c4c2OC(C)(C)C=C4)OC(C)(C)OC3=O)c1,KREDDWVAAYZJIE-UHFFFAOYSA-N
-rxn:4:183512:224410,CCOC(=O)Cc1cc(-c2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c(C#N)cc1C(F)F,YQXAMRUHXRFZFJ-UHFFFAOYSA-N
-rxn:4:183529:222912,CCOC(=O)Cc1cc(-c2ccc(S(=O)(=O)NCC(C)C)cc2)c(C#N)c(C(F)(F)F)c1,SYFXRCKNJZAWTJ-UHFFFAOYSA-N
-rxn:4:183548:222546,CCOC(=O)Cc1ccc(OC)c(C#N)c1-c1ccc(OCCNC2CCCCC2)c(F)c1,HQQHJEGDKFETEE-UHFFFAOYSA-N
-rxn:4:183622:222393,CCN(CC)C(=O)COc1ccc(-c2cccc(C(=O)N[C@H]3CC[C@H](O)CC3)c2)cc1Cl,SOAUZAAJOOEPAT-MEMLXQNLSA-N
-rxn:4:183661:224684,CCN(CC)Cc1ccc(-c2ccc(C(=O)N3CCC(=O)CC3)cc2)cc1OC(F)(F)F,SGVNPWQMGOSYEZ-UHFFFAOYSA-N
-rxn:4:183668:222924,Cc1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)cc1S(=O)(=O)NC(C)C,NRCUXAMCCXBWDP-UHFFFAOYSA-N
-rxn:4:183668:225108,CCN(CC)C(=O)c1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)c(F)c1,ANOQWUMOERNBHH-UHFFFAOYSA-N
-rxn:4:183673:224595,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(N3CCCC(C)C3)cc2OC)cc1OC(F)(F)F,OZETXWQPSIHPHH-UHFFFAOYSA-N
-rxn:4:183772:222858,CN(C)CCNC(=O)c1cccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCC(F)(F)C2)c1,NOXIMAAIRIETDF-UHFFFAOYSA-N
-rxn:4:183781:223893,CCN1CCN(CCOc2cccc(-c3ccccc3CCN(C)C(=O)OC(C)(C)C)c2)CC1,FKNFYNDTECFBND-UHFFFAOYSA-N
-rxn:4:183836:224650,CCN(C(=O)COc1ccc(-c2cc(F)ccc2OCC2CCOCC2)cc1)C1CCS(=O)(=O)C1,PVWVNHPUBLDSAH-UHFFFAOYSA-N
-rxn:4:183836:226527,CCOC(=O)c1ccc(F)cc1-c1ccc(OCC(=O)N(CC)C2CCS(=O)(=O)C2)cc1,TYNHMARPQQQCJY-UHFFFAOYSA-N
-rxn:4:183898:224459,COC1CCN(CCCOc2ccccc2-c2ccc(N3CCCC3)c(C(C)(C)C)c2)CC1,KUOLUYSEQPUMFM-UHFFFAOYSA-N
-rxn:4:183900:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C(C)C)cc1,FOMMGFQWSHCTPC-UHFFFAOYSA-N
-rxn:4:183903:223608,CC(C)(C)OC(=O)Oc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cnc1C#C[Si](C)(C)C,DHEOGMQHKNVVRT-UHFFFAOYSA-N
-rxn:4:183905:222704,CCCCN(C(=O)c1ccc(-c2ccc(C3CCNCC3)c(C(F)(F)F)c2)cc1)C1CCS(=O)(=O)C1,OTVLKELMLCOSDT-UHFFFAOYSA-N
-rxn:4:183917:223500,COc1ccc(COc2c(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cccc2S(=O)(=O)N(C)C)cc1,APIJHDXDIRSQPF-UHFFFAOYSA-N
-rxn:4:183928:222636,CC(c1ccc(-c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1)N(C(=O)OC(C)(C)C)C1CC1,NBCWUEOQPGUYOU-FIWHBWSRSA-N
-rxn:4:183933:222897,CCCCNS(=O)(=O)c1cccc(-c2cccc(CN(C(=O)OC(C)(C)C)C3CC3)c2C)c1,ZZNRDGOTOFOVSK-UHFFFAOYSA-N
-rxn:4:183935:223105,CNS(=O)(=O)c1cc(-c2cc(OC)c(OC)cc2C(=O)N(C(C)C)C(C)C)c(F)cc1C,SWXXGJYNPCYMRR-UHFFFAOYSA-N
-rxn:4:183935:224842,COc1cc(C(=O)N(C(C)C)C(C)C)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1OC,CPNYKMNTSILBRV-UHFFFAOYSA-N
-rxn:4:183981:223993,COc1ccc(N(C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(C)c3)cc2)cc1,UGMIXGUMWYMENK-UHFFFAOYSA-N
-rxn:4:183983:224421,Cc1ccc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1CN(C(=O)OC(C)(C)C)C(C)C,SVBCGFLVILPCBH-UHFFFAOYSA-N
-rxn:4:183983:224853,Cc1ccc(-c2ccc(C3CCC(C)(C)CC3)cc2)cc1CN(C(=O)OC(C)(C)C)C(C)C,RVHUTUAFKUYJIO-UHFFFAOYSA-N
-rxn:4:183984:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(CN(C(=O)OC(C)(C)C)C(C)C)c(C)c1,NRYOOQKNZCJWHM-UHFFFAOYSA-N
-rxn:4:183985:222518,CC(C)[Si](Oc1ccc(-c2ccc(F)c3sc(NC(=O)OC(C)(C)C)nc23)c(C#N)c1)(C(C)C)C(C)C,FWLFCGVBADNMEL-UHFFFAOYSA-N
-rxn:4:183985:225727,CCOC(=O)c1ccc(OC)c(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C#N)c1,JOMVEDDVRMXGRQ-UHFFFAOYSA-N
-rxn:4:183996:226776,COC(=O)c1cc(-c2ccc(Cl)c(CN(C(=O)OC(C)(C)C)C3CCCC3)c2)cc(Cl)c1F,FFEPCKUSUKIONP-UHFFFAOYSA-N
-rxn:4:184025:227717,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(F)cc3OC(F)F)ccc2Cl)CC1,ILOYSRCZAYVNST-UHFFFAOYSA-N
-rxn:4:184032:222652,CC(C)(C)OC(=O)N1CCCCC1COc1cc(F)cc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c1,BKEPMIWAVJHXGV-UHFFFAOYSA-N
-rxn:4:184036:224256,CCOC(=O)C1CN(Cc2ccccc2)CC1c1ccc(-c2ccc(Cl)c(C(=O)N3CCCCC3C)c2)cc1,XEBTZGKZENPSKJ-UHFFFAOYSA-N
-rxn:4:184041:224762,O=C(c1cccc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)c1)N1CCC(COCc2ccc(F)cc2)CC1,KMCPBLNNZVIAPB-UHFFFAOYSA-N
-rxn:4:184046:224421,COc1cccc(C(=O)N(Cc2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)C2CCS(=O)(=O)C2)c1,RRZKAPSHVXLXHP-UHFFFAOYSA-N
-rxn:4:184056:226087,CCCCCOc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2OC)cc1,BABDVGWAAWSRBK-UHFFFAOYSA-N
-rxn:4:184092:227776,CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-c3cc(C(F)(F)F)cnc3Cl)o2)C2CCS(=O)(=O)C2)cc1,LPHJBHBCOQHBGF-UHFFFAOYSA-N
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-rxn:4:187433:224485,COC(=O)c1ccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c(CN2CCCC(C)C2)c1,HGUIQTONQFLPGI-UHFFFAOYSA-N
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-rxn:4:189784:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(CCN2CCCC2)ccc1F,RJUPJFTZDJKQOG-UHFFFAOYSA-N
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-rxn:4:189936:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(CN4CCC(F)(F)C4)c(OC)c3)cc2F)CC1,RSFZIBFDFJJBOO-UHFFFAOYSA-N
-rxn:4:190013:223525,COc1ccc(C2SCCN2S(C)(=O)=O)cc1-c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,RAMCDZRGWTYTEE-UHFFFAOYSA-N
-rxn:4:190015:222786,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(F)cc(NC(=O)OC(C)(C)C)c1,VLTHRHQLRURZOZ-UHFFFAOYSA-N
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-rxn:4:190048:222393,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc(C(F)(F)F)cc2C(=O)N2CCCCC2)c1,ZKHJZEKURXSRMY-MEMLXQNLSA-N
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-rxn:4:190213:224777,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CCCC2)c(C(F)(F)F)c1,LBKIAZCSXSTFQF-UHFFFAOYSA-N
-rxn:4:190220:223822,COc1cc(-c2cc(C(F)(F)F)ccc2C(=O)OCC(C)(C)C)ccc1CN1CCCC(F)(F)C1,MRKVKABJHGIQNH-UHFFFAOYSA-N
-rxn:4:190228:224394,Cc1ccc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)cc1S(=O)(=O)N1CCOCC1,IAKAWBTUVQRXII-UHFFFAOYSA-N
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-rxn:4:190276:225382,CN(C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1)C1(C)CCS(=O)(=O)C1,UDQQWZKKWZYPQK-UHFFFAOYSA-N
-rxn:4:190346:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2cc(C)cc(CN3CCC(C(F)(F)F)CC3)c2)cc1C,FKHGPVGPDZMNCI-UHFFFAOYSA-N
-rxn:4:190351:224081,CC(C)(C)[Si](C)(C)OCCc1ccccc1-c1ccc(CC(=O)N2CCC3(CC2)CC3(F)F)cc1,WCBKDJVAQFVDCX-UHFFFAOYSA-N
-rxn:4:190374:222723,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCCCC1C,MVDXAGVGJXZIPI-UHFFFAOYSA-N
-rxn:4:190374:222826,COc1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1S(=O)(=O)N1CCCCC1C,CLZMTTICKRYIIP-UHFFFAOYSA-N
-rxn:4:190385:222524,CCC(=O)C1CCCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)c(C)c2)C1=O,CUJJWGIJAAABFU-UHFFFAOYSA-N
-rxn:4:190392:224077,CC(C)C(=O)C1CCCN(c2ccc(-c3cn([Si](C)(C)C(C)(C)C)c4ccccc34)cc2F)C1=O,MXOORQBNUGMYDU-UHFFFAOYSA-N
-rxn:4:190394:226013,CSc1ccc(OC(F)(F)F)cc1-c1ccc(F)c(N2CCCC(C(=O)C(C)C)C2=O)c1,PNXJEZRXJHHPRH-UHFFFAOYSA-N
-rxn:4:190427:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccc(C3CCN(C(=O)C4CCC4)CC3)cc2)cc1,QGNABUZOQSNRCS-UHFFFAOYSA-N
-rxn:4:190428:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(CN3CCC(F)(F)C3)cc(C(C)(C)C)c2)cc1,OUKYNZADIWCULV-UHFFFAOYSA-N
-rxn:4:190448:224075,Cc1cccc(N2CCCC(C(=O)C(C)C)C2=O)c1-c1ccc2ccn([Si](C)(C)C(C)(C)C)c2c1,FKONIKKNMBORBP-UHFFFAOYSA-N
-rxn:4:190449:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C3CCCN3C(=O)C3CCOCC3)cc2)c1,WPWMFTUFDDSFDN-UHFFFAOYSA-N
-rxn:4:190451:226844,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccnc(C(=O)C(F)(F)F)c1,QZDSONCYVBRFTQ-UHFFFAOYSA-N
-rxn:4:190458:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc([C@@H]4CN([C@@H](C)c5ccccc5)C(=O)CO4)cc3)c(F)ncc21,VUVGDDMJMMVYGO-FKAPRUDGSA-N
-rxn:4:190462:224705,CC1CCN(c2ccc(-c3ccc(C4CCCN4CC4CCOCC4)cc3)c(F)c2F)CC1,QRGXITDEYKBYPG-UHFFFAOYSA-N
-rxn:4:190476:225552,CCN(C)c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(C(C)(C)C)c2)cc(C2CC2)n1,MWWXRQDKJLVONP-UHFFFAOYSA-N
-rxn:4:190477:226604,COc1ccc(-c2cc(Cl)c(F)c(OC(C)C)c2)c(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,ABWVUZQFKADRLC-UHFFFAOYSA-N
-rxn:4:190498:226894,Cc1cc(S(=O)(=O)N2CCCCCC2)c(C(C)C)cc1-c1cc(Cl)c(F)cc1C(F)(F)F,UVAAJARDRQOZGM-UHFFFAOYSA-N
-rxn:4:190724:223576,CON(C)C(=O)c1ccc2cc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2c1,JCWHCJKNDAULBL-UHFFFAOYSA-N
-rxn:4:190847:224486,CC(C)N(C(=O)c1cccc(-c2csc3c2CN(C(=O)OC(C)(C)C)CC3)c1)C(C)C,JEFYVDANHQKNPI-UHFFFAOYSA-N
-rxn:4:190897:224760,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1,VQWWPRKBFQIRAC-UHFFFAOYSA-N
-rxn:4:190897:224773,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)c(C)c2)o1,CPHONSQMUFARNH-UHFFFAOYSA-N
-rxn:4:190925:224690,COc1ccc(-c2ccc(CN3CCC(=O)CC3)cc2F)c(C(=O)N2C3C=CCC2CC3)c1,JJRIHJNLDYXEQJ-UHFFFAOYSA-N
-rxn:4:190956:222829,CNS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c(C(F)(F)F)c1,HFMRKNOSQJRGRW-UHFFFAOYSA-N
-rxn:4:190976:224723,CCN(CC)S(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)CN(C(=O)OC(C)(C)C)C3)c(C)c1,NHUDCCNHOLUDCN-UHFFFAOYSA-N
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-rxn:4:191042:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C2(C3)CN(C(=O)OC(C)(C)C)C2)cc1,CBOVQNOMBCTWMJ-UHFFFAOYSA-N
-rxn:4:191057:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)cc1,XTBJPHGPYFEBRD-UHFFFAOYSA-N
-rxn:4:191062:227657,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(N2CCOCC2)s1,VKKIBWCSDSNCEQ-UHFFFAOYSA-N
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-rxn:4:191088:222451,COc1ccc(CNS(=O)(=O)c2ccc(-c3ccc4c(c3)C(C)(C)CCN4C(=O)OC(C)(C)C)cc2)cc1,UEJCLCWQVWEMIX-UHFFFAOYSA-N
-rxn:4:191088:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)C(C)(C)CCN3C(=O)OC(C)(C)C)cc1,ICAAQEXMRZULDH-IBGZPJMESA-N
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-rxn:4:191118:225716,COCCOCc1cc(F)ccc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,XRPGHFKRPZAPSR-UHFFFAOYSA-N
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-rxn:4:191195:224920,Cc1ccc(-c2ccc(Cl)cc2)cc1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,IFYZMRAHTOJAMC-UHFFFAOYSA-N
-rxn:4:191195:227138,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cc3ccc(C#N)cc3s1)c1c2CCC1,LHXYWTQIJPCJPY-UHFFFAOYSA-N
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-rxn:4:193640:222623,CCC(C)c1cc(-c2cccc(C(F)(F)F)c2N2CCCC(F)(F)C2)cc(C2CCNCC2)n1,DOCSBGBNOSDMFT-UHFFFAOYSA-N
-rxn:4:193641:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2cccc(C(F)(F)F)c2N2CCC(F)(F)CC2)cc1,LDMCYZBDQGUCJM-UHFFFAOYSA-N
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-rxn:4:193676:223786,CN1CCN(CCCOc2ccc(-c3cc(C4CC4)ccc3N3CCCC3)cc2Cl)CC1,FBJGKYAUBDRHSV-UHFFFAOYSA-N
-rxn:4:193776:224398,Cc1cc(F)c(-c2ccc(C(=O)N3CCC4(CC3)OCCS4)o2)cc1S(=O)(=O)N1CCCC1,GVXADAUKJZSQEH-UHFFFAOYSA-N
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-rxn:4:193885:224324,O=C1CCN(C(=O)c2cc(-c3cccc(C(=O)N4CCC5(CC4)CC5(F)F)c3)ccc2F)CC1,SKFABPWKDOXBKH-UHFFFAOYSA-N
-rxn:4:193910:226659,O=C1C(=Cc2ccc(-c3cnc(N4CCCC4)c(Cl)c3)cc2)SC(=S)N1C1CCS(=O)(=O)C1,ZNAXYNIWMMHMAB-UHFFFAOYSA-N
-rxn:4:193924:224198,CCN1CCN(Cc2ccc(-c3ccc(C)cc3C(=O)N3CCCCC3C)c(F)c2)CC1,YQVJFLUKPMOPPT-UHFFFAOYSA-N
-rxn:4:193974:225769,O=S(=O)(c1cccc(-c2cc(OCC3CC3)c(F)cc2F)c1)N1CCC2(CC1)OCCO2,BOOSMOAYKQEPSY-UHFFFAOYSA-N
-rxn:4:193980:224656,COc1ccc(-c2cccc(C3SCC(=O)N3C3CCCCC3)c2)c(F)c1OC1CCCC1,QOQSIWRWAUEJEA-UHFFFAOYSA-N
-rxn:4:193999:222935,Cc1cc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)c(S(=O)(=O)N2CCC(C)CC2)cc1C,LXZUYUNNLLNWQX-UHFFFAOYSA-N
-rxn:4:194456:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CC5CC4CS5)cc3)cc2)CC1,ITALANYKGNQBLL-UHFFFAOYSA-N
-rxn:4:194555:224059,COc1c(-c2ccc3c(c2)CN(CC2CC2)C(=O)CO3)cc(C(C)(C)C)cc1C(C)(C)C,DZFFHJWXOKVQBH-UHFFFAOYSA-N
-rxn:4:194572:225898,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cnn(CCN2CCOCC2)c1,MASBULHKVPZQIG-UHFFFAOYSA-N
-rxn:4:194672:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cc(F)c2c(c1)N(CC1CCCC1)CCO2,VAFUXLHXWQGHAH-UHFFFAOYSA-N
-rxn:4:194711:223738,CC(C)(C)[Si](C)(C)Oc1ccc2cc(-c3ccc4c(c3)CCC4N3CCCC(C(F)(F)F)C3)ccc2c1,FOVYXRDCZZPEON-UHFFFAOYSA-N
-rxn:4:194711:224493,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc3c(c2)CCC3N2CCCC(C(F)(F)F)C2)cc1,ZTHBNXKKERSDCQ-UHFFFAOYSA-N
-rxn:4:194755:223738,CC(C)(C)[Si](C)(C)Oc1ccc2cc(-c3cccc4c3CCCC4N3CCCC(C(F)(F)F)C3)ccc2c1,OBXHMVLLFAVRSU-UHFFFAOYSA-N
-rxn:4:194757:225375,FC(F)(F)C1CCCN(C2CCCc3cc(-c4ccc(OC(F)(F)C(F)(F)F)cc4)ccc32)C1,SELTXGKZSOKIBK-UHFFFAOYSA-N
-rxn:4:194781:222656,O=C(NC1CCCCC1)c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1F,TVWCBOLJOYPORP-UHFFFAOYSA-N
-rxn:4:194783:222636,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cc2)c2ccc(C)cc21,BLLKLPZXGBWDJF-HSZRJFAPSA-N
-rxn:4:194795:226844,O=C1C2C(c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc(F)c1,VCLOMXOUFSJTDZ-UHFFFAOYSA-N
-rxn:4:194796:222606,Cc1ccc(-n2c(-c3ccc(-c4cccc(C(F)(F)F)c4C(=O)NC(C)(C)C)cc3)cc3c2CC(C)(C)CC3=O)c(C)c1,CJGGVNNKLQCUGE-UHFFFAOYSA-N
-rxn:4:197602:223529,Cc1c(Cl)ccc2c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc(C(F)(F)F)nc12,GZVYKQMNLDZKKE-UHFFFAOYSA-N
-rxn:4:197870:224834,CN(C)S(=O)(=O)n1cc(-c2ccc3c(c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(F)(F)F)n1,IYYZXMMDCNFTEI-UHFFFAOYSA-N
-rxn:4:197926:223978,CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)CN(c2cc(F)c(F)c(F)c2)C(=O)CO3)cc1C(F)(F)F,DJYOUTUIPLRGPL-UHFFFAOYSA-N
-rxn:4:197953:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cccc4c3CCC4N3CCC(F)(F)CC3)c2)CC1,SQIKQHWDKQLJQS-UHFFFAOYSA-N
-rxn:4:197990:222777,CC1CCCN(C2CCCc3cc(-c4ccc(CN5CCC(O)CC5)c(Cl)c4)ccc32)C1,MCDJJLZRTCYCIO-UHFFFAOYSA-N
-rxn:4:198014:225176,O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc(-c2ccc(CN3CCOCC3)c(Cl)c2)cc1,SZLIRHNOLYBMTE-UHFFFAOYSA-N
-rxn:4:198036:225222,CC1CCCCN1c1cc(-c2ccc3c(c2)C2(C(C)C)OC(=O)C(=O)N2CC3)c(F)cn1,LKUNTRWTTKSDGK-UHFFFAOYSA-N
-rxn:4:199500:224420,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cn1,RDJOYWZMAJTGCT-UHFFFAOYSA-N
-rxn:4:199545:222654,O=C(NC1CCCCC1)c1cc(-c2ccc(C(=O)N3CCN=C3SCc3cccc(C(F)(F)F)c3)o2)ccc1Cl,VPWQTOAOFDSDOD-UHFFFAOYSA-N
-rxn:4:199605:224720,CC(C)(C)OC(=O)n1cc(-c2cccnc2OC2CCN(C(=O)COc3ccc(Cl)cc3)C2)c(C2CC2)n1,UHPKABPKMIUXKG-UHFFFAOYSA-N
-rxn:4:199618:223481,CN(C)CCN(C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)o1)C1CCOCC1,MEAJUMNRQAKWRJ-UHFFFAOYSA-N
-rxn:4:199638:222867,CC(C)(C)OC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SCc3ccc(C(F)(F)F)cc3)cc2)cc1,GGMMRISPZDBGJV-UHFFFAOYSA-N
-rxn:4:199657:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnccc1OC1CCN(C(=O)CCc2cccc(Cl)c2)C1,WAPJJAWFYHKQOY-UHFFFAOYSA-N
-rxn:4:199681:224688,COc1ccc(-c2ccc(CN3CCC(=O)CC3)c(Cl)c2)c(C(=O)N2CCC(COc3ccc(F)cn3)C2)c1,DYJPJUVLQDXVSG-UHFFFAOYSA-N
-rxn:4:199687:224490,O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ncccc2-c2ccccc2OCCN2CCCCC2)CC1,QHQKANQPSXLJMC-UHFFFAOYSA-N
-rxn:4:199709:225113,CC(C)(C)OOC(=O)c1cccc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,QTNZBYOOPJGPKG-UHFFFAOYSA-N
-rxn:4:199715:228301,CCOC(=O)c1sccc1-c1ccc(OCC2CCCN(C(=O)OC(C)(C)C)C2)nc1,PMQGAAWUDHVTQK-UHFFFAOYSA-N
-rxn:4:199738:222835,CC(C)CC(=O)NCc1ccc(-c2cccnc2OC2CCN(C(=O)CSC3CCCC3)CC2)cc1,BQTBEKQWKVPWPW-UHFFFAOYSA-N
-rxn:4:199767:222429,COC(=O)C1CCN(c2ccc(-c3ccc(CNC(=O)c4ccc(F)cc4C(F)(F)F)cc3)c(C(=O)OC(C)(C)C)n2)CC1,GWYZPLIAYITYFS-UHFFFAOYSA-N
-rxn:4:199811:222575,Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cc2)c(Cl)c1,KFPWYFYAMCFQGY-UHFFFAOYSA-N
-rxn:4:199812:226245,CCCCOc1ccc(-c2cc(F)ccc2CC(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1F,HMOCIUKDUAPVAC-UHFFFAOYSA-N
-rxn:4:199826:224590,CC1CCN(Cc2ccc(-c3ccc(CCN4CCN(C(=O)OC(C)(C)C)C(C)C4)cc3)c(F)c2)CC1,KTYUWKVXOPCBFI-UHFFFAOYSA-N
-rxn:4:199835:225776,CCCc1cc(-c2cc(CCN3CCN(C(=O)OC(C)(C)C)CC3C)ccc2F)cc(C(F)(F)F)c1,YJFBWFWPBOLZQI-UHFFFAOYSA-N
-rxn:4:199867:225136,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccc(-n3cnc(C)c3)cc2C#N)c(C2OCCO2)c1,NBJMXEXVRYHOGL-UHFFFAOYSA-N
-rxn:4:199883:223279,CC(C)(C)OC(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)CC1,YLBDAQPCOPNSLY-UHFFFAOYSA-N
-rxn:4:199891:224828,CCOc1cc(OC(F)(F)F)cc(-c2cccc3c2c(C(=O)CC#N)cn3C(=O)OC(C)(C)C)c1F,XTPQDTBASXHUOE-UHFFFAOYSA-N
-rxn:4:199946:222948,CCCCOC(=O)c1cc(N2CCCC2)c2cc(-c3cnc(N4CCC(O)CC4)nc3Cl)ccc2n1,CXTQYRXTNUGGAC-UHFFFAOYSA-N
-rxn:4:199965:228238,CCOCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(C(C)C)c(Cl)c4)cc32)SC1=S,GIKHTLWPGBJWMF-UHFFFAOYSA-N
-rxn:4:200006:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(cnn4C)c3/C=C/CCO[Si](C)(C)C(C)(C)C)cc2)CC1,RXWYLADWCZBHHU-CSKARUKUSA-N
-rxn:4:200016:226503,CON(C)C(=O)c1cccc(-c2ccc(CN3CCc4c(OCC(=O)N5CCCC5)cccc4C3=O)cc2)c1,PNDGFZGUIVLBBK-UHFFFAOYSA-N
-rxn:4:200024:224594,CC(=O)N1CCCCC1c1ccccc1-c1nc2c(cc1Cc1ccc(F)cc1)N(C(=O)OCc1ccccc1)CC2(C)C,KZYNSUMGUJDANR-UHFFFAOYSA-N
-rxn:4:200032:223279,CCN1C(=O)C(=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2cc(-c3cnc(C4CCCN4)nc3)ccc21,HBAOVAJJXRTJJZ-UHFFFAOYSA-N
-rxn:4:200063:223560,COC(=O)c1cc(-c2ccc(-c3ccccc3C(=O)OCCN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)cc2)nc2ccccc12,ODKHTEQIHMEYCC-UHFFFAOYSA-N
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-rxn:4:200198:225004,O=C1CCN(Cc2ccc(-c3cncc(C(=O)N4CC(OCC(F)(F)F)C4)c3)cc2)CC1,GEKWKNNURWOXDZ-UHFFFAOYSA-N
-rxn:4:200323:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCC4CN(C(=O)N(C)C)C4)cc3)cc2)CC1,RFGZTEDVRNFPRH-UHFFFAOYSA-N
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-rxn:4:213099:222480,Cc1cccc(NC(=O)c2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3C(F)(F)F)ccc2F)c1C,APSHSMSNLPMVGI-UHFFFAOYSA-N
-rxn:4:213105:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccnc2OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)cc1,ZGYAVXBNRFPDFQ-UHFFFAOYSA-N
-rxn:4:213115:224089,CC1CCN(CCOc2ccc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)nc3)cc2)CC1,CCWARFIEYSMTTJ-UHFFFAOYSA-N
-rxn:4:213116:224649,O=S(=O)(c1ccc(F)cc1)N1CCCC(COc2ncc(-c3cc(F)ccc3OCC3CCCCO3)cn2)C1,GGCNAWYYNIVTPK-UHFFFAOYSA-N
-rxn:4:213131:224400,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)cn2)CC1,KVTPIPGYPXFFKM-UHFFFAOYSA-N
-rxn:4:213131:225518,CCCCCOc1ncc(C)cc1-c1cnc(OCC2CCN(C(=O)C(C)(C)C)CC2)nc1,DYDXBDKOWNLJRE-UHFFFAOYSA-N
-rxn:4:213132:224830,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(C(F)(F)F)nn3C3CCCCO3)cn2)C1,NYDCEGKRTKXHED-UHFFFAOYSA-N
-rxn:4:213132:225090,CCOCc1cc(OC)c(-c2cnc(OCC3CCCN(C(=O)C(C)(C)C)C3)nc2)c(OC)c1,RPGLVZNHMLLOQN-UHFFFAOYSA-N
-rxn:4:213132:225984,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,QLUWIDBSHAOOMP-UHFFFAOYSA-N
-rxn:4:213138:224783,Cc1cc(-c2cnc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c2ncc(OC(F)F)nc2c1,MQDAFQBVGXJPOI-UHFFFAOYSA-N
-rxn:4:213162:225171,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(F)cc(CN5CCOCC5)c4)cn3)CC2)cc1F,USLFNIYBKZLIAI-UHFFFAOYSA-N
-rxn:4:213175:224690,Cc1cc(OCC2CCN(C(=O)c3cncc(-c4ccc(CN5CCC(=O)CC5)cc4F)c3)CC2)ccn1,BEDUTKFZCIHLGW-UHFFFAOYSA-N
-rxn:4:213177:222730,CCCc1cc(-c2cncc(C(=O)N3CCCC(COc4cccc(C)n4)C3)c2)cc(C2CCNCC2)n1,JIVTUQBROULHKR-UHFFFAOYSA-N
-rxn:4:213188:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3ccccc3C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)c2)C1,RIAMYIBSSQWDGL-UHFFFAOYSA-N
-rxn:4:213196:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(OCC3CCCN(C(=O)C4CCOCC4)C3)nc2)c1,DVIJPNPQMVLECI-UHFFFAOYSA-N
-rxn:4:213218:224877,C[C@H]1CN(Cc2ccc(-c3ccc(COC4CCCCC4)cc3)cn2)CCN1C(=O)OC(C)(C)C,RZGLOYILOYSNSY-QFIPXVFZSA-N
-rxn:4:213263:224731,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc(-c4cccc(S(=O)(=O)OCC(C)(C)C)c4)c3)CC2)cc1,QSFZLHLPFFAVCF-UHFFFAOYSA-N
-rxn:4:213265:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,VWACWYCXRFFGSO-UHFFFAOYSA-N
-rxn:4:213265:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,AEGYZXQEWXHOGH-UHFFFAOYSA-N
-rxn:4:213269:222426,COc1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,ZFHLMDPCINSTRD-UHFFFAOYSA-N
-rxn:4:213269:222866,COc1ccc(-c2cccc(NC(=O)OC(C)(C)C)c2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,SRRCXNKCNGVNGI-UHFFFAOYSA-N
-rxn:4:213269:226506,COc1ccc(-c2cc(OCC3CC3)ncc2F)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,DGAGKRHHJOWTJI-UHFFFAOYSA-N
-rxn:4:213290:222927,Cc1nc(N2CCCCC2O)ncc1-c1cnc(OC2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)nc1,RCWIXNYVLLLUMG-UHFFFAOYSA-N
-rxn:4:213394:224254,COc1cccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(F)c(C(=O)N6CCCC(C)C6)c5)cc4s3)CC2)c1OC,CWIQJHJVKLXHIX-UHFFFAOYSA-N
-rxn:4:213409:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(-n5c(SCC(=O)N6CCCc7ccccc76)nc6ccsc6c5=O)cc4)c3C(=O)C1C2(C)C,JKBGXWSFAQWRTL-UHFFFAOYSA-N
-rxn:4:213416:225102,CCN(CC)C(=O)c1cc(-c2ccc(-n3c(SCC(=O)N4CCC(C)CC4)nc4c(c3=O)SCC4)cc2)ccc1F,WZONJGXJZOFDQO-UHFFFAOYSA-N
-rxn:4:213444:225174,O=C(Cc1ccc(-c2ccc(F)cc2CN2CCOCC2)cc1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,MKCFRVSKUYZFQJ-UHFFFAOYSA-N
-rxn:4:213480:222795,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(NC(=O)N5CCOCC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,SMHHUODIYUMJHJ-PCBPTNJRSA-N
-rxn:4:213480:223126,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(NC(=O)C5CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZBZUNMOQJPBMIF-IVMILYEGSA-N
-rxn:4:213480:225158,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCSCC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ITZIWJPRJQVUOB-PCBPTNJRSA-N
-rxn:4:213480:226016,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(OCC(F)(F)F)cc4Cl)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,VQJVDMUAJXHGOT-HHGRCQJWSA-N
-rxn:4:213553:223539,CCOC(=O)c1cn(-c2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)nn1,HYMMPEVBSMGJPS-UHFFFAOYSA-N
-rxn:4:213581:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCCN4CCOCC4)nc3)cc2F)CC1,JQGFCFPIFVQTAF-UHFFFAOYSA-N
-rxn:4:213624:223992,CCC(C)N1CC(Cn2cc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)cn2)C1,SXSBGYZAHMUPOQ-UHFFFAOYSA-N
-rxn:4:213755:225192,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cc(OC4CCCCC4)ncc3F)cs2)CC1,OJFLECNOIPZBPE-UHFFFAOYSA-N
-rxn:4:213757:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1cccc(CC2CCN(S(=O)(=O)N(C)C)C2)n1,JHKOAOAXYGUOGQ-UHFFFAOYSA-N
-rxn:4:213766:225749,COc1ccc(C(=O)N(C)C)cc1-c1coc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,ATNVYHIUFLTQPI-UHFFFAOYSA-N
-rxn:4:213771:225213,CC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCN(C)CC4)cc3Cl)cn2)CC1,JEVDYRNIJNNZOI-UHFFFAOYSA-N
-rxn:4:213798:224759,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,CARNMGJTRVHDHX-UHFFFAOYSA-N
-rxn:4:213799:224592,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cc(C4(C#N)CCCCC4)ccc3F)ncn2)C1,HVGZADSNIAFHSP-UHFFFAOYSA-N
-rxn:4:213801:222634,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)C1,VKTXOKBZXKSRKJ-UHFFFAOYSA-N
-rxn:4:213813:223812,Cc1ccccc1C(=O)N1CCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,SKXDQJVEVNIGAS-UHFFFAOYSA-N
-rxn:4:213834:222777,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc(CN4CCC(O)CC4)c(Cl)c3)cn2)C1,OMOTZQHXFWBKRS-UHFFFAOYSA-N
-rxn:4:213834:224164,Cc1cc2cnn(C3CCCCO3)c2cc1-c1cnn(C2CCCN(C(=O)OC(C)(C)C)C2)c1,RWGWBMWVHDBLPN-UHFFFAOYSA-N
-rxn:4:213849:225758,CC(C)(C)OC(=O)c1cnccc1-c1cnc(OC2CCN(C(=O)C3CCCO3)CC2)nc1,KCEBTKLFGSCCPF-UHFFFAOYSA-N
-rxn:4:213873:224158,CC(C)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)CC1,RDCILTLTFDYEHX-UHFFFAOYSA-N
-rxn:4:213881:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,MKUGCJMOIOXAFR-UHFFFAOYSA-N
-rxn:4:213887:223536,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)CC1,MXNQTACSDFQQPU-UHFFFAOYSA-N
-rxn:4:213898:222839,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(NCC4CCCCC4)nc3)cn2)CC1,BQLZINGTNPUVPS-UHFFFAOYSA-N
-rxn:4:213908:223973,CC1CCCN(c2ccc(-c3ccc(C(=O)N4CCC(c5nnc(C(C)C)o5)CC4)o3)c(C(F)(F)F)c2)C1,NIZJXOYHAWJVIH-UHFFFAOYSA-N
-rxn:4:213929:222546,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)C2)n1,IOJXUWQHFYLYFZ-UHFFFAOYSA-N
-rxn:4:213955:223993,Cc1cc(-c2cnc(OC3CCN(C(=O)C4CC=CCC4)CC3)nc2)ccc1S(=O)(=O)N1CCN(C)CC1,JPFRWBDDCMYDCG-UHFFFAOYSA-N
-rxn:4:213972:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)CC1,WYLHDZKWDFFIHN-UHFFFAOYSA-N
-rxn:4:213972:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,OFTLPCZPEBNFIH-UHFFFAOYSA-N
-rxn:4:213989:225188,Clc1ccc(-c2cnc(OCC3CCCN(C4CCOCC4)C3)nc2)cc1CN1CCOCC1,XEHVGUGGFIDCLD-UHFFFAOYSA-N
-rxn:4:213996:224883,CC(c1ccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)CC2C)cc1)N1CCCCC1,QLXQGDGEVWMMSC-UHFFFAOYSA-N
-rxn:4:213996:225196,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cc(Cl)c(F)c(OC2CCCC2)c1,NYFIXUWDRFCFRO-UHFFFAOYSA-N
-rxn:4:214012:224958,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cccc(OCC3CCCCO3)c2)CC1,PDTAEUWEOULWHV-UHFFFAOYSA-N
-rxn:4:214013:222887,COc1cc(N2CCN(C(=O)c3cccc(-c4cccc(C(=O)N5CCNCC5)c4)c3C)CC2=O)ccn1,OQJZXABYJNXGHW-UHFFFAOYSA-N
-rxn:4:214025:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N(C)c4ccccn4)CC3)cc2)CC1,IJGXZMCTQUCJCM-DIVCQZSQSA-N
-rxn:4:214033:227814,CC(C)[C@H]1COC(c2cc(-c3ccc(CC4CC4)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,PCZPRANUCXDXPE-JWQCQUIFSA-N
-rxn:4:214033:228704,CCn1nc(C)c(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)c1C,OSGXWWKKDVJJGN-NHCUHLMSSA-N
-rxn:4:214035:222584,O=C(c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,MWLAHUNAYQCXQF-UHFFFAOYSA-N
-rxn:4:214045:224022,Cc1cc(C)n(CC2CCN(Cc3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)CC2)n1,YMNNFWKUUBXJND-UHFFFAOYSA-N
-rxn:4:214050:228270,COc1cc(Cl)c(C)cc1-c1cnc(N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c(F)c1,CCIVTIRTAKUZBN-CVEARBPZSA-N
-rxn:4:214078:225877,CCN1CCN(Cc2ccc(-c3ccc(Cl)cc3N3CCOCC3)cc2N2CCCCC2)CC1,OWTZXPWKCDRFMB-UHFFFAOYSA-N
-rxn:4:214147:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3nc(C(F)(F)F)c4n3CCN(C(=O)OC(C)(C)C)C4)c2F)C1,OHLXIHDJNDYTLJ-UHFFFAOYSA-N
-rxn:4:214284:225380,COc1ccc(F)cc1S(=O)(=O)N1C2CCC1CC(n1cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cn1)C2,ZZPGGLIZQNMPBN-UHFFFAOYSA-N
-rxn:4:214323:225999,COC(=O)c1ccc(-c2ccc3ccn(CC(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3c2)c([N+](=O)[O-])c1,CDOXKJJKNXLIDK-UHFFFAOYSA-N
-rxn:4:214379:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)o1,LPBXOCBDYUHGPV-UHFFFAOYSA-N
-rxn:4:214389:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc2c(c1)C1(C(=O)N2CCC(C)C)c2[nH]c3ccccc3c2CCN1C(C)=O,QSHPLZSXJGZMOX-UHFFFAOYSA-N
-rxn:4:214670:224391,CC(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C)cn2)C1,AQDVTTABHJPWKN-UHFFFAOYSA-N
-rxn:4:214674:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cccnc2N2CCC(C(=O)N(C)C)C2)c1,SZDZNYYTEMSBBQ-UHFFFAOYSA-N
-rxn:4:214743:224195,CCN1CCN(Cc2cc(-c3cccc(N4CCC(N(C)C)CC4)c3C#N)ccc2Cl)CC1,YZPVBHZJXWSQMP-UHFFFAOYSA-N
-rxn:4:214753:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(C(=O)N2CCN(C(C)C)CC2)c(Cl)c1,ABFMXEWJEPMOHO-UHFFFAOYSA-N
-rxn:4:214778:223939,CC(C)N1CCN(c2cc(C(F)(F)F)c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cn2)CC1,YJHCKSZLIGPXTF-UHFFFAOYSA-N
-rxn:4:214799:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccncc2N2CCN(Cc3ccccc3)CC2)CC1,HLKJZVXBOYGHJS-UHFFFAOYSA-N
-rxn:4:214799:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccncc3N3CCN(Cc4ccccc4)CC3)cn2)C1,RSBUDJWHSQZFHL-UHFFFAOYSA-N
-rxn:4:214806:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnccc2N2CCN(Cc3ccccc3)CC2)CC1,KMHNYOVFFNUEQW-UHFFFAOYSA-N
-rxn:4:214837:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,BFOORAJXUJEUIO-UHFFFAOYSA-N
-rxn:4:214837:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)c(F)c2)CC1,XDYOSSRBBGSCHS-RZWCHVLBSA-N
-rxn:4:214837:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,CBUDNMQFAFPNSF-UHFFFAOYSA-N
-rxn:4:214838:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)ccn2)CC1,CSIAMBRULSCRGR-UHFFFAOYSA-N
-rxn:4:214838:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,UEMPEDDFUCVLCH-UHFFFAOYSA-N
-rxn:4:214838:227583,CCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c(Cl)c1F,AELXQKYAGOSRLS-UHFFFAOYSA-N
-rxn:4:214865:222869,CC(C)CNC(=O)c1cc(-c2cccnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1F,VWJLWFCTPHBNPV-UHFFFAOYSA-N
-rxn:4:214868:226236,CCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCCCC2)C1,UHLHAMYHHPANNK-UHFFFAOYSA-N
-rxn:4:214871:222814,CC(C)(C)OC(=O)Nc1nccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1F,XOATWDZVSSVAAV-UHFFFAOYSA-N
-rxn:4:215065:224127,CCN1CCN(C(C)c2ccc(-c3cc4n(n3)CCN(C(=O)OC(C)(C)C)C4)cc2)CC1,MXFQONXBSFZNHI-UHFFFAOYSA-N
-rxn:4:215105:225110,CC(C)(C)OC(=O)Oc1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc1,ALCWUJVIWDLTCB-UHFFFAOYSA-N
-rxn:4:215148:224596,COc1cc(N2CCCCC2C)ccc1-c1ncc2n1CC(C)(C)N(C(=O)OC(C)(C)C)C2,LCQGSMCNBAMBBH-UHFFFAOYSA-N
-rxn:4:215184:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,SCZUGQLQQPWWLK-UHFFFAOYSA-N
-rxn:4:215189:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3nc(N4CCN(C(=O)C(C)(C)C)CC4)sc3c2)cc1,CMVMYUGHZKKFJP-UHFFFAOYSA-N
-rxn:4:215195:224462,O=C(c1cc2n(n1)CC(c1ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cc1)OC2)N1CCOCC1,MHNKZAHPKGHWKO-UHFFFAOYSA-N
-rxn:4:215195:224582,O=C(c1cc2n(n1)CC(c1ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cc1)OC2)N1CCOCC1,AMXHAXODNZSGPS-UHFFFAOYSA-N
-rxn:4:215202:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(S(=O)(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)cc3)cn2)CC1,HTZPZVCJYHPOSO-UHFFFAOYSA-N
-rxn:4:215214:224667,CN1CCN(Cc2cc(-c3cnc4n3CC3(COCCN(C(=O)OC(C)(C)C)C3)C4)ccc2Cl)CC1,YDAILTNCLIOQHC-UHFFFAOYSA-N
-rxn:4:215214:225043,CC(C)(C)OC(=O)N1CCOCC2(Cc3ncc(-c4ccc(OC5CCCCC5)c(F)c4)n3C2)C1,OJPLNCMNAFYXHH-UHFFFAOYSA-N
-rxn:4:215216:222898,COC(=O)CNC(=O)c1ccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1,NOWYCEPIWZAWNL-UHFFFAOYSA-N
-rxn:4:215300:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc2c(c1)C1CC(c3ccco3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,PUDZBAAOWGXRMU-UHFFFAOYSA-N
-rxn:4:215301:225269,COC(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)c(C(=O)OC)c1,FUGXYDOMGJGRCJ-UHFFFAOYSA-N
-rxn:4:215726:223815,CN1CC(Cn2cc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)cn2)CC1=O,XQAOWFWJGYTADN-UHFFFAOYSA-N
-rxn:4:215801:224308,CC(C)(C)[Si](C)(C)Oc1cc(-c2cncc(N3CCCC(C(F)(F)F)C3)n2)cc(F)c1F,ZLEOJBRQSNCHOI-UHFFFAOYSA-N
-rxn:4:215863:223520,CC(c1ccc(-c2cc(C(=O)N3CCN(C)CC3)cnc2Cl)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,RCZAQKLPKUHOOI-UHFFFAOYSA-N
-rxn:4:215878:223541,CN1CCN(Cc2cncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)c2)CC1,BGATZMQWBLGDCA-UHFFFAOYSA-N
-rxn:4:215937:222582,Cc1nc(C(=O)N2CCN(C)CC2)ccc1-c1cccc(C(=O)NCCN2CCOCC2)c1,VESKSJXYCHSESK-UHFFFAOYSA-N
-rxn:4:215976:224022,CC1CCN(c2cc(C(C)C)nc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)n2)CC1,PDOJDADHGDTMHJ-UHFFFAOYSA-N
-rxn:4:216341:222721,O=C1CC(N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1ccc(-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)cc1,YHQKSZMEPNXICY-UHFFFAOYSA-N
-rxn:4:217047:223671,CC1=NN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C(=O)C1,SOCHEFNRJAOZIA-UHFFFAOYSA-N
-rxn:4:217107:223648,CN1CCN(c2cncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)C1=O,INNQPOUCMHHAQQ-UHFFFAOYSA-N
-rxn:4:217107:223649,CN1CCN(c2cncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C1=O,XPEZABDKZIMYBP-UHFFFAOYSA-N
-rxn:4:217107:223660,CN1CCN(c2cncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)C1=O,BRGQFOUUHPGDBM-UHFFFAOYSA-N
-rxn:4:217107:223687,CN1CCN(c2cncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2)C1=O,VWPMECQMCJUBQK-UHFFFAOYSA-N
-rxn:4:217124:223480,Cc1cc(-c2cnc(N3CCOCC3)n2C)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NQAXOWKMZUVVFO-UHFFFAOYSA-N
-rxn:4:217166:223646,CN1CCCC(c2cnc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)C4)cc3)cn2)C1,WQXHEFSYQBLMPT-UHFFFAOYSA-N
-rxn:4:217181:223530,Cc1cc(N2CCCCC2)nc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)n1,DIPFRDYHVJCNMA-UHFFFAOYSA-N
-rxn:4:217203:224011,Cc1cc(N2CCN(C)C(=O)C2)ncc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(F)c1,LEPAJYXDOZSTOV-UHFFFAOYSA-N
-rxn:4:217792:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)c2Cl)CC1,GKEVLFYDVVOSCZ-UHFFFAOYSA-N
-rxn:4:217857:223992,Cc1ccc(-c2cnn(C)c2C23CCN(C)CC2O3)cc1S(=O)(=O)N1CCN(C)CC1,GNGSEEYSJUIKBU-UHFFFAOYSA-N
-rxn:4:217889:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2C3CCC2CC(=C2CC2)C3)nc1,NUXPKVWKNXVYBY-UHFFFAOYSA-N
-rxn:4:218578:224430,CCC(C)Oc1ccc2cc(-c3cnn(C4(CC#N)CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2c1,LJZRXZIWLJMVIW-UHFFFAOYSA-N
-rxn:4:218579:225313,CCN1CCN(c2oc(COc3ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc3)nc2C#N)CC1,NDRKUDAKRFYLQB-UHFFFAOYSA-N
-rxn:4:218583:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2cnc(OCC3CCN(Cc4ccc(C#N)cc4)CC3)nc2)c1,PFZCSEVMZRWCLL-UHFFFAOYSA-N
-rxn:4:218587:223084,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4)cn3)CC2)cc1,PMCPQCVBBBECPX-UHFFFAOYSA-N
-rxn:4:218589:223084,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4)cn3)C2)cc1,UVJYKXFFIDWJDE-UHFFFAOYSA-N
-rxn:4:218616:224246,CC1CCN(C(=O)c2ccc(-c3cn(C)nc3CN3CCN(C(=O)OCc4ccccc4)CC3)cc2F)CC1,SRMRSGDZRLJJTJ-UHFFFAOYSA-N
-rxn:4:218618:222633,COc1ccc(CCC(=O)N2CCC(n3ccnn3)CC2)cc1-c1ccc(C(=O)NCCN2CCCC2)cc1,FYTZLOZAZZVBPS-UHFFFAOYSA-N
-rxn:4:218631:223052,CC(C)NC(=O)c1cccc(-c2cnc(OCC3CCN(C4CCN(CC(F)(F)F)C4=O)CC3)nc2)c1F,GYCSWCMKPWDHOM-UHFFFAOYSA-N
-rxn:4:218641:223699,Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)CC1,FQWHEHXKRPIWIW-UHFFFAOYSA-N
-rxn:4:218681:226501,CCOC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)C4CCN(C(C)=O)CC4)CC3)nc2)cnc1C,VNMYZHOQGOEIMS-UHFFFAOYSA-N
-rxn:4:218698:223600,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(N4CC(C(=O)N5CCN(CCc6ccncc6)CC5)CC4=O)cc3)c3cc(Cl)cnc32)cc1,SKPGJFKSTRJPBA-UHFFFAOYSA-N
-rxn:4:218714:228542,CCCCc1ccc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2C)s1,HZTOSPXNKROGFE-UHFFFAOYSA-N
-rxn:4:218753:223659,CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)c(-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)no2)c1=O,ZAOLHWLDBFNXOI-UHFFFAOYSA-N
-rxn:4:218772:223279,O=C(CN1CCN(C(=O)Cn2ccc3cc(-c4cnc(C5CCCN5)nc4)ccc32)CC1)N1CCOCC1,KBGGTNPAFMQXQU-UHFFFAOYSA-N
-rxn:4:218799:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(C(=O)N4CCC(Oc5nccnc5C#N)C4)o3)c2)C1,IQVXRKWZTHJNHX-UHFFFAOYSA-N
-rxn:4:218813:225332,CCOc1ccc(OC(F)(F)F)cc1-c1cnc(N2CC(CN(C)C(=O)C3CC3)C2)nc1,KXHUDKQTOIUOGM-UHFFFAOYSA-N
-rxn:4:218834:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(C(=O)N3CCN(CCn4ccnc4)CC3)o2)c(F)cc1C,QSPRARBURPXQGX-UHFFFAOYSA-N
-rxn:4:218857:223787,CN1CCN(CCCOc2ccc(-c3cnccc3OC3CCN(C(=O)c4cn(C)nc4C(F)F)C3)cc2F)CC1,FBBZONRJCUMTCR-UHFFFAOYSA-N
-rxn:4:218867:225312,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCN(C)CC4)nc3)c2)no1,DOOJSXHZMTWQQR-UHFFFAOYSA-N
-rxn:4:218867:225613,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(OC4CCCCC4)c3)c2)no1,WWGKKEONGYZJRN-UHFFFAOYSA-N
-rxn:4:218867:226056,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3c4c(cc5c3CCC5)CCC4)c2)no1,PUKZDSUDMNLAQJ-UHFFFAOYSA-N
-rxn:4:218867:227119,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C4CCCCC4)cs3)c2)no1,ODTPDFODELMCIQ-UHFFFAOYSA-N
-rxn:4:218867:227404,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(N4CCCCC4)cs3)c2)no1,ZOGUNTSEEPJFRQ-UHFFFAOYSA-N
-rxn:4:218868:225672,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(F)nc(C4CCCCC4)c3)cc2)no1,QHHYNFQPNQXENS-UHFFFAOYSA-N
-rxn:4:218868:226324,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccnc3OC3CCCC3)cc2)no1,OLAYXIGVWIQXSC-UHFFFAOYSA-N
-rxn:4:218879:222723,O=C(c1ccccn1)N1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,AAJXHXXFDKKUTJ-UHFFFAOYSA-N
-rxn:4:218896:222584,O=C(c1cncc(F)c1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,NYKCCCOZNWMVLD-UHFFFAOYSA-N
-rxn:4:218903:225975,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(N4CCOCC4)c3Cl)cc2C#N)CC1,FEVUUWHHIAZOLF-UHFFFAOYSA-N
-rxn:4:218920:223812,COc1cnc(OC2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)c3)CC2)nc1,QLSYBAJKFYERDH-UHFFFAOYSA-N
-rxn:4:218992:222886,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(N5CCNCC5)cc4C#N)cn3)C2)CC1,SFHOIAGTIZBMKI-UHFFFAOYSA-N
-rxn:4:218995:223784,CCN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCN(CCn5nc(C)cc5C)CC4)o3)cc2F)CC1,QLFHYLFMNZXULZ-UHFFFAOYSA-N
-rxn:4:218998:223080,CC(C)NS(=O)(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1,VDQGIZPECQKQPK-UHFFFAOYSA-N
-rxn:4:218998:226993,CCCOc1ccc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1C,PBUOLHHGJOYKBH-UHFFFAOYSA-N
-rxn:4:219011:226241,COC(=O)CCc1cccc(-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,VKKFLBZBYZXWEX-UHFFFAOYSA-N
-rxn:4:219012:222812,CN(c1ncc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,XLYOHKMOOJSIHP-UHFFFAOYSA-N
-rxn:4:219012:225123,CN(c1ncc(-c2ccncc2OCC2CCCCO2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,PQHNUXIKEXCMEE-UHFFFAOYSA-N
-rxn:4:219013:223167,CC1CN(c2c(-c3ccnc(N4CCNCC4)c3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,CHTOJZIRLKGCDI-UHFFFAOYSA-N
-rxn:4:219015:225535,CCN(CC)Cc1cc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)ccc1Cl,XZIUFBQHOLJSKT-UHFFFAOYSA-N
-rxn:4:219046:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)cc2F)CC1,CBFHJYCJAYEBAR-UHFFFAOYSA-N
-rxn:4:219051:226908,CCCCCc1ccc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,XYPAMHDAAXQTDJ-UHFFFAOYSA-N
-rxn:4:219053:223003,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(Cl)c(C5CCNCC5)c4)c3)cn2)CC1,KCMNXVFSJURGGI-UHFFFAOYSA-N
-rxn:4:219080:225747,COc1ccc(-c2ccc(C)n2C(=O)OC(C)(C)C)c(C(=O)N2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)c1,ZVNYZSOBFHPHEI-UHFFFAOYSA-N
-rxn:4:219120:223787,CN1CCN(CCCOc2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)cc2F)CC1,IMXFHDCJAGFABY-UHFFFAOYSA-N
-rxn:4:219129:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)c1,QSRDRGSJRZXIAC-UHFFFAOYSA-N
-rxn:4:219132:222630,O=C(Cn1ccc2ccccc21)N1CCCC(Oc2ncc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cn2)C1,ILXGUKIOYUUYCV-UHFFFAOYSA-N
-rxn:4:219155:223598,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)c2)C3)nc1,YZDSZUJASAFGNU-UHFFFAOYSA-N
-rxn:4:219374:223762,COC(=O)c1c(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)c(C)n(Cc2ccccc2)c1C,LKYKXRQFEIIPSS-UHFFFAOYSA-N
-rxn:4:219386:224251,CC1CCCN(C(=O)c2ccc(-c3cnccc3OC3CCN(C(=O)c4ccc(=O)n(C)n4)C3)c(F)c2)C1,VCBHOSSFMFDQGM-UHFFFAOYSA-N
-rxn:4:219388:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)o1,AYQIVCOXPJAOCS-UHFFFAOYSA-N
-rxn:4:219402:224718,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,NEEMZKIAJYLYNB-UHFFFAOYSA-N
-rxn:4:219405:225709,CN(C)CCCOc1ccc(-c2nccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cn1,BKWAJJJQDVZQLF-UHFFFAOYSA-N
-rxn:4:219410:223069,CCCS(=O)(=O)Nc1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,BVSZIWAGMSRERR-UHFFFAOYSA-N
-rxn:4:219410:223076,O=S(=O)(NC1CC1)c1cccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,WWOGKCVXTOTFHW-UHFFFAOYSA-N
-rxn:4:219411:222634,Cc1cc(C(=O)N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCC4)c(F)c3)C2)nn1C,YORXGUQKFWFVSS-UHFFFAOYSA-N
-rxn:4:219432:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)c2cn(C)c(C)n2)C1,ZLKHRGSALUVBEB-UHFFFAOYSA-N
-rxn:4:219469:226336,CSc1ncc(-c2cc(C#N)c(C3CC3)cc2Cl)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,VHWJWUJVXRASBS-UHFFFAOYSA-N
-rxn:4:219529:222584,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(OCCCN2CCNCC2)c(F)c1,AYFSFESNLKSQNY-UHFFFAOYSA-N
-rxn:4:219529:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)nc1OC,XMYUUKLUACPHBX-UHFFFAOYSA-N
-rxn:4:219530:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)CC1,RVXWHKCPQASBBQ-UHFFFAOYSA-N
-rxn:4:219539:224915,Cc1cc(N2CCCCC2C)ccc1-c1ccccc1C(=O)N1CCN(c2cc(C3CC3)nn2C)CC1,BMOJSVLZTPHYDS-UHFFFAOYSA-N
-rxn:4:219552:222949,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cc2[nH]ncc2cc1OC(F)(F)F,MYPXLVDEFVWSSK-UHFFFAOYSA-N
-rxn:4:219627:227717,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3ccc(F)cc3OC(F)F)s1)C2,GYVBIALCVSZRDT-UHFFFAOYSA-N
-rxn:4:219639:222584,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3n2)C1,VBBQMYHFPJZVHO-UHFFFAOYSA-N
-rxn:4:219653:224718,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCOCC5)nc4)nc3s2)CC1,JOVRYIONHLUKIF-UHFFFAOYSA-N
-rxn:4:219654:225223,CC1CCN(c2cc(F)c(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cn2)CC1,AWFKVIIRVHRUIO-UHFFFAOYSA-N
-rxn:4:219666:224657,CC(C)(C)[Si](C)(C)Oc1cccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)c2)c1F,BOGRHFCLYUWJFJ-UHFFFAOYSA-N
-rxn:4:219668:224759,O=C(c1cc(F)cc(-c2cccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)c2)c1)N1CCOCC1,HRNOQESBWBFTAC-UHFFFAOYSA-N
-rxn:4:219678:225654,CC1CCCN(c2ccc(-c3ccccc3S(=O)(=O)N3CC4CN(c5ccc(C#N)cn5)CC4C3)cn2)C1,BQLDBAYDZBCTMK-UHFFFAOYSA-N
-rxn:4:219688:222684,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3n2)CC1,INHWAQUIIZVVGW-UHFFFAOYSA-N
-rxn:4:219692:224405,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)c3cnc(Cl)nc32)CC1,VVWJUJVBFHAEBH-UHFFFAOYSA-N
-rxn:4:219704:224373,COc1ccc(-c2ccc3ncc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3c2)cc1S(=O)(=O)N1CCCC1,DDQZVODBXVWSJL-UHFFFAOYSA-N
-rxn:4:219707:224606,CCCOc1cc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)cc(Cl)c1OC(C)C,CGWGKVUNZYTPMC-UHFFFAOYSA-N
-rxn:4:219716:222838,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(CNC(=O)C(C)(C)C)cc5)cc4)CC3C2)ncn1,AVLYDZGCAAOLFQ-UHFFFAOYSA-N
-rxn:4:219721:223583,COC(=O)c1ccc2c(-c3cncc(C(=O)N4CCC(Cn5cnc6ccccc6c5=O)CC4)c3)cn(C(=O)OC(C)(C)C)c2c1,UMGYWONULUZUSP-UHFFFAOYSA-N
-rxn:4:219751:225095,CCOC(=O)c1ccc(OCC)c(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)C[C@@H]4C)nc(F)nc3c2F)c1,JAJKWWZOPNAZJD-INIZCTEOSA-N
-rxn:4:219759:226466,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc5c(c4)OCC(=O)N5C)cc2)OC3)CC1,FRICWTXXGLAJGA-UHFFFAOYSA-N
-rxn:4:219763:224246,Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)c(F)c3)c2)CC1,MQIXLUASCDANRX-UHFFFAOYSA-N
-rxn:4:219840:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(CCF)CC4)nc3)cc2[N+](=O)[O-])CC1,OMDBNONCDYIEOM-UHFFFAOYSA-N
-rxn:4:219861:223669,Cc1c(C(=O)N2CC(n3nccn3)C2)cccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,WZZKSSDXZBJRNS-UHFFFAOYSA-N
-rxn:4:219891:222869,CC(C)CNC(=O)c1cc(-c2cnn(CC3CN(C4CCN(C)C4=O)C3)c2)ccc1F,HSHOXYZBMOMBMU-UHFFFAOYSA-N
-rxn:4:219902:224306,CC(C)N1CCN(c2c(-c3ccc(C(F)(F)F)cc3OC3CCCC3)cncc2[N+](=O)[O-])CC1,VQRIYSXWYFTBIK-UHFFFAOYSA-N
-rxn:4:219988:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)c2)CC1,BPSREZNFVWMDNI-UHFFFAOYSA-N
-rxn:4:220121:223753,Cc1ccc(-c2cccc(C(=O)N3C4CCC3CC(n3cncn3)C4)c2)cc1OCCCN1CCN(C)CC1,KOMJQLVFNXJIIF-UHFFFAOYSA-N
-rxn:4:220152:223490,Cc1ccc(-c2cccc(C(=O)N3CCCC(c4nnc5ccccn45)C3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IKKRPJDSVYKMNK-UHFFFAOYSA-N
-rxn:4:220221:225313,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCN(C)CC5)nc4F)cc2)OC3)CC1,XEXLYSDYUBTAGS-UHFFFAOYSA-N
-rxn:4:220221:225876,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)ccc4N4CCOCC4)cc2)OC3)CC1,CTWPSQKKUMNVFJ-UHFFFAOYSA-N
-rxn:4:220226:222634,O=C(C1CCCN(c2ncc3cc(-c4ccc(OCCNC5CCCC5)c(F)c4)ccc3n2)C1)N1CCOCC1,WMLOIUCDVBCKHG-UHFFFAOYSA-N
-rxn:4:220534:223712,COc1ccc(-c2ccc(C3=Nn4c(nnc4C4CCCCC4)SC3)cc2)cc1C12CC3CC(CC(C3)C1)C2,OLYQEEVRAPEVOB-UHFFFAOYSA-N
-rxn:4:221098:225571,COC(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)nc2)c(C2CC2)c1,FVGGJYIIIJPZQS-UHFFFAOYSA-N
-rxn:4:221101:223777,COc1nn(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)cn2)C1,PMEZMUAGUDGTBG-UHFFFAOYSA-N
-rxn:4:221115:228950,CCOc1ccc(-c2c(Cl)ccc(F)c2F)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,YSAYAABDOLNQGO-UHFFFAOYSA-N
-rxn:4:221121:223771,COc1ccc2c(c1)cc(-c1ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c1)n2C(=O)OC(C)(C)C,MYFPCJMQJVJSHP-UHFFFAOYSA-N
-rxn:4:221121:224987,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(-n6cccn6)cc5C5CC5)ccc43)CC2)CC1,XIWANGKCOPTCBT-UHFFFAOYSA-N
-rxn:4:221150:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5cccc(C#N)n5)C4)nc3)cc2)CC1,VTNKBFNMYXVBSX-UHFFFAOYSA-N
-rxn:4:221169:225943,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)s4)cn3)C2)cn1,MDXRYGHEEVFLEA-UHFFFAOYSA-N
-rxn:4:221170:223533,CCc1cnc(N2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)nc1,OCZMFBYZEYFFFA-UHFFFAOYSA-N
-rxn:4:221173:224759,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)ccc1=O,QMDRSXUZCALVIZ-UHFFFAOYSA-N
-rxn:4:221193:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)c1Cl,OJJWQUUYNJXUSC-UHFFFAOYSA-N
-rxn:4:221195:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)cc3)c2)CC1,QBMSRRHJFOTXCF-UHFFFAOYSA-N
-rxn:4:221195:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)cc3)ccc2C)CC1,BASIKWYCJQWQPG-UHFFFAOYSA-N
-rxn:4:221195:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)cc2)CC1,SJGKMSYPVPTDIX-UHFFFAOYSA-N
-rxn:4:221196:224063,Cc1c(C(=O)N2CCCC(Oc3ncc(-c4cc(C5CC5)cc(N5CCCC(C)C5)c4)cn3)C2)cnn1-c1ccccc1,SJKSKWLDRYFBFL-UHFFFAOYSA-N
-rxn:4:221227:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5ccc6nccnc6c5)C4)nc3)c2)CC1,BQAUZACJROAIJZ-UHFFFAOYSA-N
-rxn:4:221249:222634,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(OCCNC6CCCC6)c(F)c5)cnn4c3)cc2)CC1,VCNUHSCNCFTMKN-UHFFFAOYSA-N
-rxn:4:221250:222486,O=C(CN1CCCCC1)N1N=C(c2ccc(-c3cncc(-c4cncc(C5CCCCN5)c4)c3)cc2)CC1c1nc2ccccc2[nH]1,WXJJCOXJKSHYIY-UHFFFAOYSA-N
-rxn:4:221346:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(OCC4CCCN(c5ncncc5F)C4)nc3)cc2C1,XLZIWHISZKQEJZ-UHFFFAOYSA-N
-rxn:4:221359:223480,Cc1cc(-c2cnccc2OC2CCN(Cc3nnc(C)n3C)C2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UMONCUGBIBWCQG-UHFFFAOYSA-N
-rxn:4:221369:224494,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(CCOC5CCCCO5)cc4)cn3)C2)ccc1=O,WBVSZMVMPHXWIN-UHFFFAOYSA-N
-rxn:4:221372:222583,CN(C)c1cnnc(N2CCN(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)o3)CC2)c1,VACQVQILKUXVOD-UHFFFAOYSA-N
-rxn:4:221436:225902,CON(C)C(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)cc1F,ZQAWDEFBAYNEFR-UHFFFAOYSA-N
-rxn:4:221443:224018,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)c3)CC2)n1,VCPNJZVUQVWOCC-UHFFFAOYSA-N
-rxn:4:221445:222837,Cc1cc(N2CCN(Cc3cccc(-c4cccc(CC(=O)NC(C)(C)C)c4)c3)CC2)nc(N2CCOCC2)n1,QHEVNAZQVKDHIS-UHFFFAOYSA-N
-rxn:4:221445:223114,CCCNC(=O)c1cccc(-c2cccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)c2)c1,KQSRCMZTIJXPGI-UHFFFAOYSA-N
-rxn:4:221453:223279,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCCN5)nc4)cc3)CC2)n1,GOUFQSKRHWCCOJ-UHFFFAOYSA-N
-rxn:4:221515:224653,O=C(c1cncc(-c2ccc(Cl)cc2OCC2CCCCO2)c1)N1CC2CN(c3cc(C4CC4)ncn3)CC2C1,YGNHXLHHJDGJAH-UHFFFAOYSA-N
-rxn:4:221515:225226,CC1CCN(c2cc(-c3cncc(C(=O)N4CC5CN(c6cc(C7CC7)ncn6)CC5C4)c3)c(F)cn2)CC1,TWUASNCELZRFEV-UHFFFAOYSA-N
-rxn:4:221563:222803,CC(C)CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc2)n(C)c1=O,UDEWPFMJSFOZLM-UHFFFAOYSA-N
-rxn:4:221574:222542,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(C)c(OCCCN5CCNCC5)c4)cc3)c(=O)n2C)cc1,PPIIRROVFAOTOC-UHFFFAOYSA-N
-rxn:4:221588:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC(Cn5ccnc5)C4)nc3)cc2[N+](=O)[O-])CC1,CPQDTMPSSNVRCI-UHFFFAOYSA-N
-rxn:4:221641:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,IOHFODRRQGQTTQ-UHFFFAOYSA-N
-rxn:4:221832:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,NHFDDKQJMBJYJK-UHFFFAOYSA-N
-rxn:4:221832:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,OUXFMKIQUXDVEG-UHFFFAOYSA-N
-rxn:4:221832:224394,Cc1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,WZJQSYYQDPOFFI-UHFFFAOYSA-N
-rxn:4:221832:224396,Cc1cc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1S(=O)(=O)N1CCOCC1,ZAPRIYHMZHCOGQ-UHFFFAOYSA-N
-rxn:4:221836:223951,CN1CCN(CCOc2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2F)CC1,VQRRNSNDKOVHBR-UHFFFAOYSA-N
-rxn:4:221836:223997,Cc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,ADAUPSXDRHKDME-UHFFFAOYSA-N
-rxn:4:221836:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,YCORCIQMGRCXEF-UHFFFAOYSA-N
-rxn:4:221836:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,ZDQYZEBUBQSDNO-UHFFFAOYSA-N
-rxn:4:221836:224394,Cc1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1S(=O)(=O)N1CCOCC1,XFLFWGKXEMKNHR-UHFFFAOYSA-N
-rxn:4:221836:224396,Cc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1S(=O)(=O)N1CCOCC1,CFYYRJYFEGZLHE-UHFFFAOYSA-N
-rxn:4:221836:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,SMZPUTPBLCEHTM-UHFFFAOYSA-N
-rxn:4:221917:224407,CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5cccc(S(=O)(=O)N6CCC(F)(F)C6)c5)c4)CC3)nn2)n1,KVXOKEKSXZBMGN-UHFFFAOYSA-N
-rxn:4:221927:224008,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C(=O)N7CCOCC7)cc([N+](=O)[O-])c6)cc5)no4)C3C2=O)cc1,DGALNYZLEGCTEO-UHFFFAOYSA-N
-rxn:4:221937:223812,Cn1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)CC2)nn1,FLLMLGHCQKQJMM-UHFFFAOYSA-N
-rxn:4:221943:222852,O=C1CCCN1Cc1cn(C2CN(C(=O)c3cncc(-c4cccc(CN5CCC(O)CC5)c4)c3)C2)nn1,GVTAICOWJYKGIF-UHFFFAOYSA-N
-rxn:4:221965:223071,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(CNS(=O)(=O)CC)cc5)cc4)CC3)nn2)CC1,IIEOOTIQKSJYEV-UHFFFAOYSA-N
-rxn:4:221965:224274,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc6cnccc6n5C(=O)OC(C)(C)C)cc4)CC3)nn2)CC1,XSPUZSRWXGWRNI-UHFFFAOYSA-N
-rxn:4:221967:223581,COC(=O)c1cccc2cc(-c3ccc(-n4nnc5c(=O)n(C(C(C)=O)C(=O)N(C)C)cnc54)cc3)n(C(=O)OC(C)(C)C)c12,OWDYWTNNNFVBDJ-UHFFFAOYSA-N
-rxn:4:221967:224370,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3cc(C(F)(F)F)ccc3C(=O)OC(C)C)cc2)c1=O,XQKRPRKZJWNCNU-UHFFFAOYSA-N
-rxn:4:221975:223052,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC(C)C)c6F)cc5)no4)C3C2=O)cc1,JOHXKKRASKMFQT-UHFFFAOYSA-N
-rxn:4:221978:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)c(F)c2)CC1,QYFDQVLHDMJJRC-UHFFFAOYSA-N
-rxn:4:222032:224790,CCCOc1cc(-c2cnc(N3CCN(c4ccnc(N(C)C)n4)CC3)c(C(F)(F)F)c2)ccc1OC(F)(F)F,NCWLDWZELYFIAE-UHFFFAOYSA-N
-rxn:4:222044:224320,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5cc(S(=O)(=O)N6CCCCC6)ccc5C)cc4)CC3)nn2)n1,INCKIYJIVXSDKF-UHFFFAOYSA-N
-rxn:4:222053:223520,CCc1cc(N2CCN(c3ncc(-c4ccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)CC2)nc(C(C)(C)C)n1,PCVLSJOVGBCBEF-UHFFFAOYSA-N
-rxn:4:222062:224325,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cc3)CC2)n1,RXIHUXUADPFXNS-UHFFFAOYSA-N
-rxn:4:222102:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)cc5)C(=O)C43)n2)cc1,INFBUZXYUVRZJG-UHFFFAOYSA-N
-rxn:4:222108:222935,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CNS(=O)(=O)N(C)C)cc6)cc5)no4)C3C2=O)cc1F,PWKVCLJZJVIZCE-UHFFFAOYSA-N
-rxn:4:222108:224689,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCCCC7)cc6Cl)cc5)no4)C3C2=O)cc1F,WDAZLQZFRAHKTF-UHFFFAOYSA-N
-rxn:4:222125:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(-c5cc(N6CCCN(C(=O)c7ccc8[nH]cnc8c7)CC6)[nH]n5)cc4)c3C(=O)C1C2(C)C,VWZJZKXSAXHFOF-UHFFFAOYSA-N
-rxn:4:222138:227008,CC=CCOc1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)cc1,WAUGPKAYFXJLRB-UHFFFAOYSA-N
-rxn:4:222142:222816,COc1ccc(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)NC(C)C,VSQOBWGTJOQUJC-UHFFFAOYSA-N
-rxn:4:222168:225009,Cc1cnc(OC2CCCCC2)c(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)c1,DHSQWIVQQIHRSC-UHFFFAOYSA-N
-rxn:4:222184:222540,Cn1nc2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc2c1C(=O)N1CCC(n2ccnn2)CC1,MBAHKRZQOPXROY-UHFFFAOYSA-N
-rxn:4:222188:223753,CCc1ncnc(N2CC3CN(c4ncc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)cn4)CC3C2)c1F,JLDAKNSTARHNIU-UHFFFAOYSA-N
-rxn:4:222307:222679,CCc1nnc2ccc(N3CC4CN(C(=O)c5cncc(-c6cc(NC(=O)OC(C)(C)C)ccc6OC)c5)CC4C3)nn12,ZDQNFVWFRHDSLY-UHFFFAOYSA-N
-rxn:4:222317:222511,Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5-c5cc(C(=O)NC6CCCCC6)cc([N+](=O)[O-])c5)CC4)ncnc32)cc1,NEXBXQCYXIDISG-UHFFFAOYSA-N
-rxn:4:222332:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc1Cl,KKIPXIWFELSZNX-UHFFFAOYSA-N
-rxn:4:222334:225281,Cc1cc(N2CCCC2)nc(N2CCN(c3ncc(-c4cc(Cl)nc(C(=O)OC(C)(C)C)c4)cn3)CC2)n1,YEEWVVXVMZQSPC-UHFFFAOYSA-N
-rxn:4:222613:186279,CCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N(C)C)cc2OC(F)F)c(C(F)(F)F)c1,YILBZQJWNHIKAP-UHFFFAOYSA-N
-rxn:4:222613:187051,CCCNS(=O)(=O)c1ccc(-c2ccc(F)cc2C(=O)N(C(C)C)C(C)C)c(C(F)(F)F)c1,XAUBPLZJTHFCRM-UHFFFAOYSA-N
-rxn:4:222613:189997,CCCNS(=O)(=O)c1ccc(-c2cc(C)ccc2/C=N/S(=O)C(C)(C)C)c(C(F)(F)F)c1,PDWPTEKYOIKQDW-VULFUBBASA-N
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-rxn:4:222853:185255,COc1ccccc1C(=O)N(c1ccc(-c2ccc(CN3CCC(O)CC3)cc2)cc1)C1C=CS(=O)(=O)C1,ZZNPTRMAUPLQCT-UHFFFAOYSA-N
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-rxn:5:177891:227438:226643,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)nc1)c1ccccc1-c1ccnc(C2CCOC2)c1,IDBZKFPVKMKUNJ-UHFFFAOYSA-N
-rxn:5:177891:227444:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1cncc(C2CCCO2)c1,XJEDLCRKLFPISZ-UHFFFAOYSA-N
-rxn:5:177891:227626:223183,CNS(=O)(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc(C3CCOC3)nc2)c(C)c1,DEZVYERXCOUWHF-UHFFFAOYSA-N
-rxn:5:177891:227654:226324,O=C(SC1CS(=O)(=O)CC1c1cccnc1OC1CCCC1)c1ccccc1-c1ccc(C2OCCO2)nc1,ILLFKWRIFHLPBB-UHFFFAOYSA-N
-rxn:5:177891:227684:225607,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnn(CC3OCCO3)c2)s1)N1CCCCC1,SJNFFKHWMHWNHV-UHFFFAOYSA-N
-rxn:5:177891:228318:223148,COC(=O)c1ccncc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccccc1C1CNCCO1,GLNUEPDAUYEKIU-UHFFFAOYSA-N
-rxn:5:177891:228349:227027,N#CC1(c2ccccc2C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnn(C3CCOC3)c2)CC1,SYMFPXYLSNAFJP-UHFFFAOYSA-N
-rxn:5:177891:228623:222404,O=C1NC(=O)C(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3sccc3C3CCC3)cc2)N1,SOHHHTJUDLVZHH-UHFFFAOYSA-N
-rxn:5:177891:228879:225784,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)nc1)c1ccccc1-c1ccnn1C1COC1,ZWEHOADDNKIKRG-UHFFFAOYSA-N
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-rxn:5:178118:222960:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCO2)cc(C2CCNCC2)c1,VIYPMGYUKNJNBT-UHFFFAOYSA-N
-rxn:5:178118:222986:227506,Cc1cc(-c2ccc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc2OCC2CCCCO2)cc(C2CCCNC2)n1,FYPQISVEFAOUGI-WYMLVPIESA-N
-rxn:5:178118:227506:222958,Cc1ccc(-c2ccc(-c3cccc(/C=C/[N+](=O)[O-])c3)c(OCC3CCCCO3)c2)cc1C1CCNCC1,DUDFSCBANIBAQG-SAPNQHFASA-N
-rxn:5:178118:227710:222958,Cc1ccc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCCCO3)c2)cc1C1CCNCC1,DCZFFYOQBVJKTK-UHFFFAOYSA-N
-rxn:5:178118:227710:222959,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCCCO3)c2)ccc1C1CCNCC1,GKFHZIATNPZBGG-UHFFFAOYSA-N
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-rxn:5:178121:225683:227710,Cc1nc(C2CCCOC2)ccc1-c1c(OCC2CCOCC2)cccc1-c1ccc(OS(C)(=O)=O)cc1,ILAZPIHSTSPMSQ-UHFFFAOYSA-N
-rxn:5:178226:222998:227804,O=[N+]([O-])c1cc(-c2cccc(OCC3CCCCC3)c2-c2cc(F)cc(C3CCCNC3)c2)c([N+](=O)[O-])s1,OGLYKBRQEQMRRJ-UHFFFAOYSA-N
-rxn:5:178295:222404:228589,COC(=O)C1(c2cc(-c3ccc(C(C)C)nc3)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,POIGXRLWXFADDF-UHFFFAOYSA-N
-rxn:5:178295:222405:227898,COC(=O)C1(c2cc(-c3cncc(CC(C)C)c3)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,SUNNVOAYLSUDFE-UHFFFAOYSA-N
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-rxn:5:178295:226580:223173,COC(=O)C1(c2cc(-c3ccc4c(c3)C(O)CS4(=O)=O)ccc2-c2cc(C(=O)N(C)C)ccc2F)CCC(=O)CC1,CLYVSVMSHPBCKE-UHFFFAOYSA-N
-rxn:5:178295:227124:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc(C(C)(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KZJDIMVKGFGBJN-UHFFFAOYSA-N
-rxn:5:178295:227124:228178,COCc1ccc(F)c(-c2ccc(-c3ccc(C(C)(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JWCZSGRCYJRLPJ-UHFFFAOYSA-N
-rxn:5:178295:227704:228419,COC(=O)C1(c2cc(-c3cc(F)c(SC)cc3F)ccc2-c2cc(C(F)F)ncc2OC)CCC(=O)CC1,ACQQGWVJLSRNDE-UHFFFAOYSA-N
-rxn:5:178295:228469:227448,COC(=O)C1(c2cc(-c3ccc(C4COC4)c(F)c3)ccc2-c2cc([N+](=O)[O-])cnc2C)CCC(=O)CC1,UHYHJVWNSYVOHK-UHFFFAOYSA-N
-rxn:5:178313:223113:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2,LJKPNMHLVACBLM-UHFFFAOYSA-N
-rxn:5:178313:225453:227091,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2cncc(C3CCCC3)c2)c1,GCIPADVOICNDKZ-UHFFFAOYSA-N
-rxn:5:178313:225672:226919,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(F)nc(C3CCCCC3)c2)c(-c2cccc(C3CCCC3)c2)c1,PMLSIIGXTUHLDO-UHFFFAOYSA-N
-rxn:5:178313:226069:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3CCCCC3)c2)c(-c2cc(C3CCCCC3)ccc2F)c1,CRISWYPIWIYZBL-UHFFFAOYSA-N
-rxn:5:178314:225451:227589,Cc1cc(OC(F)F)cc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2O[Si](C)(C)C(C)(C)C)c1,DXVAVMOLDUAVJN-UHFFFAOYSA-N
-rxn:5:178314:225453:226907,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCCC3)c2)ccc1-c1cccc2c1CCC21CC1,VQCCJXNDWXHMKC-UHFFFAOYSA-N
-rxn:5:178314:225499:227066,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCC3)cc2F)ccc1-c1cccc(C(=O)C2CC2)c1,CMOSYRYVFAHGET-UHFFFAOYSA-N
-rxn:5:178314:227048:225453,CC(C)C(=O)c1ccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(O[Si](C)(C)C(C)(C)C)c2)cc1,URKKHSYVVBXJRI-UHFFFAOYSA-N
-rxn:5:178314:227052:225507,COC(=O)C1CCc2cc(-c3ccc(-c4ccc(SC(C)(C)C)cc4)cc3O[Si](C)(C)C(C)(C)C)ccc21,MJSIVNFYGGBAFN-UHFFFAOYSA-N
-rxn:5:178314:227077:225394,CCC(C)c1ccc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(O[Si](C)(C)C(C)(C)C)c2)c(F)c1,SZHTUZYSLCCRCP-UHFFFAOYSA-N
-rxn:5:178314:227715:225451,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(F)cc(OC(F)F)c2)ccc1-c1ccc(SC2CCCCC2)cc1,SUUSTXSLSQXDNZ-UHFFFAOYSA-N
-rxn:5:178315:225498:226907,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCCCC3)ccc2F)cc(-c2cccc3c2CCC32CC2)c1,JRMAWLQELITIAS-UHFFFAOYSA-N
-rxn:5:178315:226146:226191,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCC3)cc2)cc(-c2cc(C3CCCC3)ccc2F)c1,MDNZVRQOLYNYQL-UHFFFAOYSA-N
-rxn:5:178315:226155:226191,CC(=O)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cc(C4CCCC4)ccc3F)c2)cc(C2CC2)c1,MORAIZVLLXYYPF-UHFFFAOYSA-N
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-rxn:5:178466:225833:225833,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,LVNHXAPYNOVARH-UHFFFAOYSA-N
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-rxn:5:178467:223281:226645,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,GPZFDMOCLFTZAB-UHFFFAOYSA-N
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-rxn:5:178467:226326:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cccc(C4(C#N)CC4)c3F)c2OC1,QONARGWXOMOHDF-UHFFFAOYSA-N
-rxn:5:178467:226437:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3cc(C4CCCC4)ncc3F)c2OC1,SCGNHZLZACREQB-UHFFFAOYSA-N
-rxn:5:178467:226679:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,GZUAPLFRPSBZND-UHFFFAOYSA-N
-rxn:5:178467:226794:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,CPVQTYXVODSHEF-UHFFFAOYSA-N
-rxn:5:178467:227803:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,SUUWOTBMPKBMNV-UHFFFAOYSA-N
-rxn:5:178467:228703:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3cnn(C4CCC4)c3)c2OC1,QZHXCKYTVPEAMH-UHFFFAOYSA-N
-rxn:5:179418:225637:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccccc2N2CCN(C)CC2)s1)N1CCOCC1,IXBDVTKFRKVVSU-UHFFFAOYSA-N
-rxn:5:180021:226425:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccc(N2CCCCC2C)s1,ARQHKFKJUDXHPN-UHFFFAOYSA-N
-rxn:5:180297:225986:227131,COc1cc(-c2ccccc2N2CCCS2(=O)=O)c(C2(C)OCCO2)cc1-c1cccc(C2CCOC2)c1,FGJWRGIXHXGDLC-UHFFFAOYSA-N
-rxn:5:180402:225440:227052,CC(C)(C)Sc1ccc(-c2cc(-c3ccc(C4(C#N)CCCC4)cc3)ccc2C(=O)C2CCCCC2)cc1,KLCYPDBHYZELJF-UHFFFAOYSA-N
-rxn:5:180421:223132:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1cccc(N2CCNCC2)c1,HLENILYEDWLPCK-UHFFFAOYSA-N
-rxn:5:180421:225591:225817,Fc1ccc(CN2CCCC2)cc1-c1cc(CC2CCCCC2)ccc1-c1ccc(C(F)(F)F)c(C2CC2)c1,TUVQINDXNUONKK-UHFFFAOYSA-N
-rxn:5:180662:223001:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3cc(C4CCCNC4)ccc3F)c2OC1,SAHOMMVESRUBLV-ZRDIBKRKSA-N
-rxn:5:180662:223294:226326,COC(=O)C1=Cc2cc(-c3cccc(C4(C#N)CC4)c3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,IFKRUSHXGOUACW-UHFFFAOYSA-N
-rxn:5:180662:225684:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccc(C4CCOCC4)nc3C)c2OC1,SRYYFCVBGQDXPH-UHFFFAOYSA-N
-rxn:5:180662:225849:225982,COC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,IWPRRQKLZVKCSM-UHFFFAOYSA-N
-rxn:5:180662:225976:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,DSLLEFWVYZIDCW-UHFFFAOYSA-N
-rxn:5:180662:225978:226747,CCc1ncc(-c2cc3c(c(-c4ccc(N5CCOCC5)nc4F)c2)OCC(C(=O)OC)=C3)cc1C(F)(F)F,KILZUSSDXSDQSO-UHFFFAOYSA-N
-rxn:5:180662:226427:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(N4CCC(C)CC4)cs3)c2OC1,FOUBOESRTYAXDF-UHFFFAOYSA-N
-rxn:5:180662:227710:225639,COC(=O)C1=Cc2cc(-c3cccnc3N3CCC(C)CC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,SHTSJYKRCLEMPR-UHFFFAOYSA-N
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-rxn:5:181628:225832:225633,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(N3CCCCCC3)nc2)c(C2OCCO2)c1,YDMGMWCZAQABJU-UHFFFAOYSA-N
-rxn:5:181628:225832:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,WBJZZCVCXBXMCQ-UHFFFAOYSA-N
-rxn:5:181904:222957:222985,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C3CCCNC3)nc2C)cc(C2CCCNC2)c1,HBKWLUQDZRPSGG-UHFFFAOYSA-N
-rxn:5:181904:225407:226652,Cc1cc(-c2c(-c3ccc(C4CCCCCC4)cc3)ccc(C3OCCO3)c2C)n(C2CCCCO2)n1,GBDDGRPFLAZJIV-UHFFFAOYSA-N
-rxn:5:181904:226686:222957,Cc1cc(-c2c(-c3c(C)cnn3C3CCCCO3)ccc(C3OCCO3)c2C)cc(C2CCCNC2)c1,VFEAJVZHKOYBOB-UHFFFAOYSA-N
-rxn:5:181904:226686:225654,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(N2CCCC(C)C2)nc1,GLMQCIKSPHMSCA-UHFFFAOYSA-N
-rxn:5:181905:226424:225986,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1cc(N2CCCC(C)C2)cs1,FEDDWQAZZAULQD-UHFFFAOYSA-N
-rxn:5:181905:226429:225986,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(N2CCCC(C)C2)s1,CWGCFZXHMZDYAG-UHFFFAOYSA-N
-rxn:5:181908:225633:222981,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccnc(NC3CCCCC3)c2)cc1C1OCCO1,WLJJVPZIMYBBIO-UHFFFAOYSA-N
-rxn:5:182011:225466:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ccc1-c1ccc(N2CCCCC2C)cc1,SLQVGYKLRYSOOT-UHFFFAOYSA-N
-rxn:5:182012:226064:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCCC3)cc2)cc1C1CCCOC1,XMMYZDHQPLEZAB-UHFFFAOYSA-N
-rxn:5:182012:226571:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cnn(CC3CCOCC3)c2)cc1C1CCCOC1,CRGROAPMZDMMIH-UHFFFAOYSA-N
-rxn:5:182013:225832:227119,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCCCC3)cs2)c(C2CCOCC2)c1,SSJVDDFFIFFLTK-UHFFFAOYSA-N
-rxn:5:188446:226663:223063,COC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)c(-c2cc(F)nc(C3CCNCC3)c2)c([N+](=O)[O-])c1,AAEWXPVCKHZWOU-UHFFFAOYSA-N
-rxn:5:188459:225982:225937,COC(=O)c1cc([N+](=O)[O-])c(-c2cnc(N3CCOCC3)cc2F)cc1-c1cc(C(F)(F)F)ncc1C(C)C,DFPOGQNFSHHJKS-UHFFFAOYSA-N
-rxn:5:188633:226661:225976,COC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)cnc(OC)c1-c1ccnc(N2CCOCC2)c1F,WDNZSQFEEDDBKE-UHFFFAOYSA-N
-rxn:5:188633:226662:225982,COC(=O)c1c(-c2ccc(N3CCN(C)CC3)s2)cnc(OC)c1-c1cnc(N2CCOCC2)cc1F,XQCXFIHFUZYXCR-UHFFFAOYSA-N
-rxn:5:188868:225982:226661,CC(C)OC(=O)c1ccnc(-c2cc(N3CCN(C)CC3)cs2)c1-c1cnc(N2CCOCC2)cc1F,XQWPABDTCOFPQE-UHFFFAOYSA-N
-rxn:5:188873:223063:226424,CON(C)C(=O)c1cc(-c2cc(N3CCCC(C)C3)cs2)ccc1-c1cc(F)nc(C2CCNCC2)c1,JGICNKAQECAJBU-UHFFFAOYSA-N
-rxn:5:188930:223135:226645,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1ccnc(N2CCOCC2)c1,HQRBBJOVSOFTRS-UHFFFAOYSA-N
-rxn:5:188930:226181:226139,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3=CCCCC3)nc2)cc1-c1cc(C2CC2)cnc1C1CC1,NTVHCJDVADESJA-UHFFFAOYSA-N
-rxn:5:188930:226649:226649,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)cc1-c1cccnc1N1CCOCC1,KVCLVGUADHWAIQ-UHFFFAOYSA-N
-rxn:5:188930:227085:222987,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCCC3)nc2)cc1-c1ccc(C2CCNCC2)nc1C,LBHOVOUOIPKESE-UHFFFAOYSA-N
-rxn:5:188932:223138:226182,COC(=O)c1cc(-c2ccnc(C3CCNCC3)c2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCCC2)c1,ZUTLHAJICRPJSW-UHFFFAOYSA-N
-rxn:5:188932:226180:222987,COC(=O)c1cc(-c2cc(C)nc(C3CCCC3)c2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2C)c1,GCJLOOIBZQVWJB-UHFFFAOYSA-N
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-rxn:5:188932:227086:222987,COC(=O)c1cc(-c2ccnc(C3CCCC3)c2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2C)c1,WXKIFWLNUAXYBL-UHFFFAOYSA-N
-rxn:5:188932:227091:222987,COC(=O)c1cc(-c2cncc(C3CCCC3)c2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2C)c1,FUVSMASXDGPAFN-UHFFFAOYSA-N
-rxn:5:189079:226661:223006,CCN(C)C(=O)c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2cc(N3CCN(C)CC3)cs2)c1,ZETOLVCPJGIFFI-UHFFFAOYSA-N
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-rxn:5:189079:226661:223065,CCN(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,STEYQMKXJXXAFM-UHFFFAOYSA-N
-rxn:5:189079:226662:223002,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)cc2F)c(-c2ccc(N3CCN(C)CC3)s2)c1,IBUOBAWLCDZBHB-UHFFFAOYSA-N
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-rxn:5:189083:226661:223063,CCN(C)C(=O)c1cccc(-c2cc(N3CCN(C)CC3)cs2)c1-c1cc(F)nc(C2CCNCC2)c1,SLIXJTKUNGQIRC-UHFFFAOYSA-N
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-rxn:5:189207:227039:227505,CC(C)(C)Oc1ccc(-c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c(C(=O)ON3C(=O)CCC3=O)c2)cc1,UIVJTAKKVLFZFA-WUKNDPDISA-N
-rxn:5:189209:222985:227291,Cc1nc(C2CCCNC2)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(CN(C)C)c(F)c2)c1,KHVBYMQYBNPESN-UHFFFAOYSA-N
-rxn:5:189209:223266:227591,CNC(=O)c1ccc(F)cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C(F)F)cc2OC)c1,UORMNVOBVWMHBY-UHFFFAOYSA-N
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-rxn:5:189669:225507:227525,CCc1cnc(C(F)F)cc1-c1cc(/C=N/S(=O)C(C)(C)C)ccc1-c1ccc2c(c1)CCC2C(=O)OC,UWOGJOZTYXSYTM-AABVJFSESA-N
-rxn:5:189826:223144:225803,O=C(Cc1ccc(-c2ccnc(OC3CCOCC3)c2)cc1-c1ccc(N2CCC(O)C2)cc1)N1CCOCC1,ONVSVXOVXBFNHF-UHFFFAOYSA-N
-rxn:5:189826:225873:228135,CCOc1cc(C)ncc1-c1ccc(CC(=O)N2CCOCC2)c(-c2cccc(N3CCOCC3=O)c2)c1,LZECTYMZLUJHAC-UHFFFAOYSA-N
-rxn:5:189908:223202:222989,Cc1cc(N2CCNCC2)ccc1-c1ncc(-c2ccc(C3(O)CCC3)cc2)cc1OCC1CCCCC1,BXSJHZWXQNTTBI-UHFFFAOYSA-N
-rxn:5:189910:225833:227379,Fc1c(-c2ccc(-c3cccnc3N3CCCC3)c(CCN3CCOCC3)c2)ccnc1N1CCCCC1,YIGPHEWGLVMYHR-UHFFFAOYSA-N
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-rxn:5:190000:227045:225440,CC(C)(C)Sc1cccc(-c2cc(-c3ccc(C4(C#N)CCCC4)cc3)ccc2CC(=O)N2CCCCC2)c1,XEUISKSEIOALCD-UHFFFAOYSA-N
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-rxn:5:190127:226067:227917,CCc1ccc(OC)c(-c2ccc(-c3ccc(C4=CCCCC4)cc3)cc2C(=O)N2CCC(OC)CC2)c1,VVCVXVLDPKPOIU-UHFFFAOYSA-N
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-rxn:5:190128:228126:226150,COc1ccc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cccc(SC3CCCC3)c2)c(C#N)c1,VBWROSKFMSDDIA-UHFFFAOYSA-N
-rxn:5:190131:222993:228680,CCCn1nc(C)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2cccc(N3CCCCC3O)c2)c1OC,GTKFEVLWTRONOZ-UHFFFAOYSA-N
-rxn:5:190194:225453:227592,COc1cc(F)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(SC3CCCCC3)c2)c1OC,PINXNCJRIQSVQX-UHFFFAOYSA-N
-rxn:5:190194:225591:227935,CCc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(CN3CCCC3)ccc2F)ccc1OC,ONNPLQYPMFDFGG-UHFFFAOYSA-N
-rxn:5:190194:225871:226686,COC1CCN(Cc2cccc(-c3cccc(N4C(=O)C=CC4=O)c3)c2-c2c(C)cnn2C2CCCCO2)CC1,CQRXNBULBUPASJ-UHFFFAOYSA-N
-rxn:5:190194:226850:226147,COc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2c(C)cc(OC(C)C)cc2C)cc(C(F)(F)F)n1,TZGDXQRZTWWLIV-UHFFFAOYSA-N
-rxn:5:190197:223056:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccc(N2CCC(O)CC2)nc1)C1CCOCC1,TVOFCMMKIGEMDA-UHFFFAOYSA-N
-rxn:5:190197:223062:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2cnc(C3CCNCC3)cc2F)c1,FFMYUAGBRLEFQZ-UHFFFAOYSA-N
-rxn:5:190197:226132:227801,Cc1cc(C2(C#N)CC2)ccc1-c1cc(-c2c(C(F)(F)F)ccnc2F)ccc1CN(C)C1CCOCC1,KYHHXWREZXMKST-UHFFFAOYSA-N
-rxn:5:190201:225439:227352,COC(=O)c1ccc(C)cc1-c1ccc(-c2cccc(C(C)N3CCCC3)c2)cc1CCN1CCOC(C)C1,GROFOPURILFERN-UHFFFAOYSA-N
-rxn:5:190201:225602:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(-c2cc(C3(C#N)CCC3)ccc2F)cc1CCN1CCOC(C)C1,MTCGHUPTBOSXDD-UHFFFAOYSA-N
-rxn:5:190264:223186:222421,CC1CCN(C(=O)Cc2ccc(-c3cncc(S(N)(=O)=O)c3)c(-c3cnn(C4CCCCO4)c3)c2)CC1,GIDWBRJGAXKQEP-UHFFFAOYSA-N
-rxn:5:190265:223186:222421,CC1CCCN(C(=O)Cc2ccc(-c3cncc(S(N)(=O)=O)c3)c(-c3cnn(C4CCCCO4)c3)c2)C1,FFDKHVFRGJAUIJ-UHFFFAOYSA-N
-rxn:5:190265:226044:227920,CCC(=O)c1ccc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2c(F)c(F)cc([N+](=O)[O-])c2OC)cc1,JYLOTXRPOMTHES-UHFFFAOYSA-N
-rxn:5:190307:226838:226685,CC1CCN(CCc2cc(-c3cnc(C#N)c(C(F)(F)F)c3)ccc2-c2cnc(C3CCOCC3)nc2)CC1,SWILITOBPMLPAF-UHFFFAOYSA-N
-rxn:5:190308:223140:227369,CC1CCCN(CCc2cc(-c3ccnc(C4CCCNC4)c3)ccc2-c2cc(F)ccc2OC2CC2)C1,JRVSSKFMMDFQTI-UHFFFAOYSA-N
-rxn:5:190336:226654:227992,COc1c(-c2ccc(C3COC3)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1csc(N2CCC(C)CC2)n1,CRLYHVPVMDFKRT-UHFFFAOYSA-N
-rxn:5:190336:227508:228231,COC(=O)c1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(N(C)C)cc3F)c2OC)cc(C)n1,AGKLWPFALVCRKK-UHFFFAOYSA-N
-rxn:5:190337:226588:228609,COc1cc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3cc(OC4CCC4)ncc3F)c2OC)ccc1C,JKQOAABSBIRXMZ-UHFFFAOYSA-N
-rxn:5:190337:226946:228113,CCc1nc(OC)ccc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2ccc3c(c2)CCN(C)C3)c1OC,HBSCXIMEZMBNCP-UHFFFAOYSA-N
-rxn:5:190484:223139:227501,O=C(c1cccc(-c2ccc(C3CCNCC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(C=C[N+](=O)[O-])cc2)S(=O)(=O)CC1,RMKYXYXYHUHLCD-UHFFFAOYSA-N
-rxn:5:190484:223139:228965,O=C(c1cccc(-c2ccc(C3CCNCC3)nc2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,FPNVKMCJRQUJPU-UHFFFAOYSA-N
-rxn:5:190484:223242:227506,O=C(c1cccc(-c2ccnc(C3CCNC3)c2)c1)N1CCC(c2ccccc2-c2cccc(/C=C/[N+](=O)[O-])c2)S(=O)(=O)CC1,ITDFDHOGSLGHMK-QGOAFFKASA-N
-rxn:5:190484:223242:227507,O=C(c1cccc(-c2ccnc(C3CCNC3)c2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,ITDFDHOGSLGHMK-UHFFFAOYSA-N
-rxn:5:190484:226059:227409,CC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c(C(C)C)c1,NVDIILKMAFGHNH-UHFFFAOYSA-N
-rxn:5:190484:227076:227313,CCC(C)c1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)CC)ncc4F)S(=O)(=O)CC3)c2)c1,XJINSBDWELMKEV-UHFFFAOYSA-N
-rxn:5:190484:227155:225499,Cc1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCCCC5)cc4F)S(=O)(=O)CC3)c2)cc2c1cnn2C,UPYQOCQFGUVPAN-UHFFFAOYSA-N
-rxn:5:190484:227507:223242,O=C(c1cccc(-c2cccc(C=C[N+](=O)[O-])c2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCNC3)c2)S(=O)(=O)CC1,IMIADZNSBXKUGS-UHFFFAOYSA-N
-rxn:5:190484:227944:226190,CC(C)(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCCC5)cc4F)S(=O)(=O)CC3)c2)c1,GAQYGTXDKWVOQN-UHFFFAOYSA-N
-rxn:5:190484:227970:225602,CC(C)(C)c1cnccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C4(C#N)CCC4)ccc3F)S(=O)(=O)CC2)c1,PLPBOKYLUVQDKP-UHFFFAOYSA-N
-rxn:5:190484:228965:223139,O=C(c1cccc(-c2ccc([N+](=O)[O-])nc2)c1)N1CCC(c2ccccc2-c2ccc(C3CCNCC3)nc2)S(=O)(=O)CC1,ZGBYUCGGGLFBNT-UHFFFAOYSA-N
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-rxn:5:190741:225976:225641,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccnc(N2CCCC(C)C2)c1,MTADYYQGXYZDQD-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:5:190741:226662:225976,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,CMBCWYWIKYZFGL-UHFFFAOYSA-N
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-rxn:5:190744:225639:225593,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)c(C)ccc2c1-c1cc(F)cc(CN2CCCC2)c1,ADQWWKJMPKOSOH-UHFFFAOYSA-N
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-rxn:5:197876:225499:228113,CCc1nc(OC)ccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,OVXZXQDZUFITBU-UHFFFAOYSA-N
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-rxn:5:197876:225603:228512,CC#Cc1cccc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OPLFFVZZQTXLFU-UHFFFAOYSA-N
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-rxn:5:197876:225820:226911,CCc1cc(C)cc(CC)c1-c1cc2c(cc1-c1c(C3CC3)cccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,WAFJJYLGCHKFAF-UHFFFAOYSA-N
-rxn:5:197876:225820:228583,CC(C)c1cc(-c2cc3c(cc2-c2c(C4CC4)cccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,WTPNOFIMHRTVQW-UHFFFAOYSA-N
-rxn:5:197876:225823:225886,CC(C)c1cc(-c2cc3c(cc2-c2ccc4c(ccn4S(C)(=O)=O)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,XUAJVDLMOUEXHP-UHFFFAOYSA-N
-rxn:5:197876:225834:228507,CCCc1cccc(-c2cc3c(cc2-c2cc(N4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MPXXZRKFMPDADR-UHFFFAOYSA-N
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-rxn:5:197876:226032:228696,COCc1ccc(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,VZTSSKLQXWRXBS-UHFFFAOYSA-N
-rxn:5:197876:226059:228383,Cc1cc(-c2cc3c(cc2-c2ccc(C(C)C)cc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C(F)F,DWQFCJVPIJTTHV-UHFFFAOYSA-N
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-rxn:5:197876:226191:228000,COc1cc(C)c(C)cc1-c1cc2c(cc1-c1cc(C3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YADWKYOCVFWIIN-UHFFFAOYSA-N
-rxn:5:197876:226334:227714,Cc1cc(C(=O)N(C)C)cc(-c2cc3c(cc2-c2ccc(SC(F)(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,CKZOTYZPGJURGQ-UHFFFAOYSA-N
-rxn:5:197876:226425:228606,CCc1ccc(F)c(-c2cc3c(cc2-c2ccc(N4CCCCC4C)s2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KXOFRUNFSUFMBO-UHFFFAOYSA-N
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-rxn:5:197876:226441:226925,Cc1cc(C2CC2)cc(-c2cc3c(cc2-c2ccc(N4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1C,BCVFXMLMPHFDIL-UHFFFAOYSA-N
-rxn:5:197876:226441:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1ccc(N3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,AMGDLEDNEKZLNL-UHFFFAOYSA-N
-rxn:5:197876:226444:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCO4)nc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,QQSQRVJKGJXKBG-UHFFFAOYSA-N
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-rxn:5:197876:226582:227999,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(C(=O)N(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,LMHGTIJSSCJCCI-UHFFFAOYSA-N
-rxn:5:197876:226588:227985,CC(C)c1cc(-c2cc3c(cc2-c2cc(OC4CCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,SJRZWDHGOXTEDP-UHFFFAOYSA-N
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-rxn:5:197876:226596:227955,Cc1cnc(C(C)C)c(-c2cc3c(cc2-c2ccc(F)c(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QSUPKMXXQHFJAP-UHFFFAOYSA-N
-rxn:5:197876:226598:227907,CCC(C)c1cncc(-c2cc3c(cc2-c2cc(OC(C)C)c(F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CLAITXMSWRDHHQ-UHFFFAOYSA-N
-rxn:5:197876:226610:228253,CCc1cc(-c2cc3c(cc2-c2ccc(P(C)(C)=O)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,PVROOXNQDQIUQP-UHFFFAOYSA-N
-rxn:5:197876:226658:227039,CC(C)(C)Oc1ccc(-c2cc3c(cc2-c2ccc(N4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,KLPCFFWUNOKZPZ-UHFFFAOYSA-N
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-rxn:5:197876:226710:225472,CC1CCCCN1c1cccc(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YSOMPZXPWAEZOC-UHFFFAOYSA-N
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-rxn:5:197876:226762:225811,CSc1cc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,YPALSBHZPJHFEH-UHFFFAOYSA-N
-rxn:5:197876:226762:227315,CSc1cc(-c2cc3c(cc2-c2cnc(CC(C)C)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,JAHHEYIFUHBUSD-UHFFFAOYSA-N
-rxn:5:197876:226762:227818,CCC(C)c1cccc(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ATIDDCUMIXFFNV-UHFFFAOYSA-N
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-rxn:5:197876:226895:227966,CC(C)(C)c1ncccc1-c1cc2c(cc1-c1cc(F)c(C(F)(F)F)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,IUTAFSDOJTZCRY-UHFFFAOYSA-N
-rxn:5:197876:226907:226189,CC(C)(C)N1C(=O)c2cc(-c3ccc(C4CCCC4)c(F)c3)c(-c3cccc4c3CCC43CC3)cc2S1(=O)=O,JLYNUJYMPXWEQI-UHFFFAOYSA-N
-rxn:5:197876:226910:226331,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,IPSKEDYLXBBORG-UHFFFAOYSA-N
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-rxn:5:197876:227117:227525,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc(C3CC3)cc(C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,JHQBLTLEQPWOSK-UHFFFAOYSA-N
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-rxn:5:197876:227525:226183,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1cnccc1C1CCCCC1)C(=O)N(C(C)(C)C)S2(=O)=O,OBNQFEMDWUSLSL-UHFFFAOYSA-N
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-rxn:5:197876:227673:227305,Cc1cc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(OC(C)C)n1,WTRCRMBTVFNGLI-UHFFFAOYSA-N
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-rxn:5:197876:227782:225823,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,NZUSWHJAWQUOEP-UHFFFAOYSA-N
-rxn:5:197876:227792:227050,Cc1cc(-c2cc3c(cc2-c2ccnc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC(C)C,SJFITOFQYFVCEL-UHFFFAOYSA-N
-rxn:5:197876:227811:225814,CC(C)Cc1ccc(-c2cc3c(cc2-c2cccc(C4(C(F)(F)F)CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,MILWRJMCLZLZQA-UHFFFAOYSA-N
-rxn:5:197876:227818:226325,CCC(C)c1cccc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,PILNSJUMFHZDOJ-UHFFFAOYSA-N
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-rxn:5:197876:227940:226031,CCc1cc(SC)cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,UOICMGVWCSHCSA-UHFFFAOYSA-N
-rxn:5:197876:227965:226762,CSc1cc(-c2cc3c(cc2-c2c(C)ccnc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,HAPOCKDCYHFLQM-UHFFFAOYSA-N
-rxn:5:197876:228132:225439,CC(c1cccc(-c2cc3c(cc2-c2cccc(CC#N)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N1CCCC1,IRJWRXDBDUVSSA-UHFFFAOYSA-N
-rxn:5:197876:228218:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cc2c(cc1-c1cc(C3CC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ALBVGQOQRCCDPO-UHFFFAOYSA-N
-rxn:5:197876:228227:226762,CSc1cc(-c2cc3c(cc2-c2ccc(C(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,ICQDPVCUVZVIHU-UHFFFAOYSA-N
-rxn:5:197876:228253:226761,CSc1ccc(-c2cc3c(cc2-c2ccc(P(C)(C)=O)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(F)(F)F)c1,PYHVVSZCKYOHCJ-UHFFFAOYSA-N
-rxn:5:197876:228344:226349,CC(C)(C)Oc1cc(F)cc(-c2cc3c(cc2-c2ccc(SC(F)F)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DXRFBWFVHNBFSO-UHFFFAOYSA-N
-rxn:5:197876:228381:226085,CC1(C)CCc2cc(-c3cc4c(cc3-c3c(F)cc(C#N)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2O1,QHTHMNIUNYPPAK-UHFFFAOYSA-N
-rxn:5:197876:228437:225637,CN1CCN(c2ccccc2-c2cc3c(cc2-c2ccc(C(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)CC1,CWJNPKNLTLBFLG-UHFFFAOYSA-N
-rxn:5:197876:228445:226427,CC1CCN(c2csc(-c3cc4c(cc3-c3c(F)cccc3C(F)F)S(=O)(=O)N(C(C)(C)C)C4=O)c2)CC1,BDPPECXDJDKLEH-UHFFFAOYSA-N
-rxn:5:197876:228447:226330,CC(c1ccc(-c2cc3c(cc2-c2cccc(C(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1)N1CCCC1,ZMVZQUMQNHQKSR-UHFFFAOYSA-N
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-rxn:5:197876:228477:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cnccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,NKLDYYUXALXVMO-UHFFFAOYSA-N
-rxn:5:197876:228477:226709,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1cnccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,VJDWWUOQWAJDND-UHFFFAOYSA-N
-rxn:5:197876:228505:225821,CCCc1ccc(-c2cc3c(cc2-c2ccc(C4CC4)c(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,VOVPTCDDSZXGIO-UHFFFAOYSA-N
-rxn:5:197876:228562:226589,CCC(C)c1csc(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,AWZICTWGHPUGBB-UHFFFAOYSA-N
-rxn:5:197876:228564:226762,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)s1,BPAWTGQYCYOQBT-UHFFFAOYSA-N
-rxn:5:197876:228564:226826,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)s1,UWVSCQLTKWUODU-UHFFFAOYSA-N
-rxn:5:197876:228571:225814,CN(C)c1ccc(-c2cc3c(cc2-c2cccc(C4(C(F)(F)F)CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,WMWIDCRLVJGIAX-UHFFFAOYSA-N
-rxn:5:197876:228620:226031,CSc1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C,ZBBSZSFEWKXBSL-UHFFFAOYSA-N
-rxn:5:197876:228721:226611,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccnn1C(C)(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,YQKRRLWMRJUEGR-UHFFFAOYSA-N
-rxn:5:197876:228732:225446,Cc1cc(OC2CCCC2)cc(-c2cc3c(cc2-c2cccc(C#N)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DPHSAIREUDESRL-UHFFFAOYSA-N
-rxn:5:197876:228798:225394,CSc1cc(-c2cc3c(cc2-c2cc(C4CCC4)cc(C4CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)ccc1F,DUUBLZKUJWYAAZ-UHFFFAOYSA-N
-rxn:5:197876:228800:225817,CSc1ccc(F)cc1-c1cc2c(cc1-c1ccc(C(F)(F)F)c(C3CC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,LSFMRZICPNVUJX-UHFFFAOYSA-N
-rxn:5:197876:228802:225395,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,ATIQQJCPDSRYIT-UHFFFAOYSA-N
-rxn:5:197876:228802:226428,CC1CCCCN1c1csc(-c2cc3c(cc2-c2ccccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BNMLMKSSVHNCPU-UHFFFAOYSA-N
-rxn:5:198558:226424:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2cc(-c3cc(N4CCCC(C)C4)cs3)ccc21,WKTGLORTVSSTHD-UHFFFAOYSA-N
-rxn:5:198559:226424:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3cc(N4CCCC(C)C4)cs3)cc21,BTMJAMQXTPEKDD-UHFFFAOYSA-N
-rxn:5:198559:226661:225805,CC(c1ccc(C2=NS(=O)(=O)c3ccc(-c4cc(N5CCN(C)CC5)cs4)cc32)s1)N1CCOCC1,BJDIBUBTJSLSBA-UHFFFAOYSA-N
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-rxn:4:173433:224188,CCOC(=O)C(C(C)=O)c1ccc(OC)cc1-c1ccc(C(=O)N(C(C)C)C(C)C)cc1Cl,FNRHIIGJLYNXMS-UHFFFAOYSA-N
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-rxn:4:173544:224076,COC(=O)c1ccc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)c(OCCC2CCCCC2)c1,WZAUBBBZTAMXKY-UHFFFAOYSA-N
-rxn:4:173553:226717,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-],XRGBWTJFOGFPAR-UHFFFAOYSA-N
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-rxn:4:174015:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc(OCC(=O)C2CC2)c(C(F)(F)F)c1,JMZXWBHDHKRXIA-UHFFFAOYSA-N
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-rxn:4:174515:224421,CC(C)c1cc(C(C)C)c(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)c(C(C)C)c1,VRPJIXUXZLBRHA-UHFFFAOYSA-N
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-rxn:4:174516:224325,CC(C)[Si](Oc1ccccc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1)(C(C)C)C(C)C,AAEMNFRBVAOYKH-UHFFFAOYSA-N
-rxn:4:174522:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1,ZZZJNXGCOWOGCO-UHFFFAOYSA-N
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-rxn:4:174743:222537,FC(F)COc1cc(C(F)(F)F)ccc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,UKOBXFPMLOLYKU-UHFFFAOYSA-N
-rxn:4:175156:223559,COC(=O)CC(=O)c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc1C,PISVIJPVWVEOHM-UHFFFAOYSA-N
-rxn:4:175741:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccccc2OC(F)(F)C(F)(F)[Si](C)(C)C)C1,ZCSQYXTYQDCJRS-UHFFFAOYSA-N
-rxn:4:175921:223638,COc1ccc(S(=O)(=O)Oc2ccccc2-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1C,LPGFOGHGZBDKKT-UHFFFAOYSA-N
-rxn:4:176121:222447,COc1ccc2c(c1-c1cc(C(=O)OC(C)(C)C)cc(-c3cccc(F)c3F)c1)N=C(NC(=O)OC(C)(C)C)C2,GRBVNGHAXXNJDQ-UHFFFAOYSA-N
-rxn:4:176181:223695,CC(C)(C)c1cc(Oc2ccc(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)cc(C(C)(C)C)c1,UIGLULJEDJHCSO-UHFFFAOYSA-N
-rxn:4:176196:226021,CCOC(=O)C1=Cc2cc(-c3cc(Cl)ccc3OCC(F)(F)F)ccc2OC1C(F)(F)F,WYHKZOYAXRLFAT-UHFFFAOYSA-N
-rxn:4:176237:223811,CC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cc1)C2=O,UCHLZGXRPDWSNX-UHFFFAOYSA-N
-rxn:4:176324:226510,CC(C)COc1nccc(-c2ccccc2COc2ccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)cc2)c1Cl,NHOGFILLJMOHIO-UHFFFAOYSA-N
-rxn:4:176696:223505,CSc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C(=O)C(F)F)c1F,GKAQTLUDPDMELQ-UHFFFAOYSA-N
-rxn:4:176919:222465,CS(=O)(=O)OCc1c(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)ccc(F)c1F,PPBBRMCIMWJNDB-UHFFFAOYSA-N
-rxn:4:177748:223838,COc1cc(F)c(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)cc1OC1CCC1,WFPYHYYGZPVYNV-UHFFFAOYSA-N
-rxn:4:177763:223568,COC(=O)c1cccc(C2OCCO2)c1-c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cl,SWDXLBQGXIWCBZ-UHFFFAOYSA-N
-rxn:4:178091:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(OCC4CCOCC4)cc3)cc2)CC1,HZRLQNGQYPNEMI-UHFFFAOYSA-N
-rxn:4:178128:223978,CC(C)(C)OC(=O)c1ccc(-c2cc(OCC3CCCOC3)ccc2F)cc1C(F)(F)F,KCTHEJLEIKFPSN-UHFFFAOYSA-N
-rxn:4:178154:224683,O=C(c1cc(F)cc(-c2c(F)c(F)c(COC3CCCCO3)c(F)c2F)c1)N1CCCCC1,KWYHVWMBXWUPDH-UHFFFAOYSA-N
-rxn:4:178179:223497,COC(=O)C1(c2cccc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)c2)CCCC1,NYBKGUQGBOLWCO-UHFFFAOYSA-N
-rxn:4:178295:224970,COC(=O)C1(c2cc(Cl)ccc2-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)CCC(=O)CC1,YKFZLUQIVKMAQH-UHFFFAOYSA-N
-rxn:4:178381:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc1,FFTSFVLELUTJGP-UHFFFAOYSA-N
-rxn:4:178382:223558,CC(C)(C)c1cc(-c2ccc3c(c2)CCN(C(=O)OCc2ccccc2)C3)cc(C(C)(C)C)c1C(C)(C)C,HSXUVZPPKIITPD-UHFFFAOYSA-N
-rxn:4:178384:225091,CCCCOc1c(OC)ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,VZVOXIHPSTVWFU-UHFFFAOYSA-N
-rxn:4:178384:226552,CCCOc1c(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1Cl,CGFXCKZWZGDTJZ-UHFFFAOYSA-N
-rxn:4:178384:228158,CCOc1cc(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,QHYNGUBZSRTTEC-UHFFFAOYSA-N
-rxn:4:178384:228275,COc1c(F)cc(C)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,VDISYHAFZAERGT-UHFFFAOYSA-N
-rxn:4:178384:228622,CCc1cc(F)ccc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,YHTYGTVNPNYAQK-UHFFFAOYSA-N
-rxn:4:178431:223602,COC(=O)Cc1cc2c(c(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c1)OCC2,ZTWWAPNOQWABPT-UHFFFAOYSA-N
-rxn:4:178557:223978,Cc1oc2cc(-c3ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c3)c(F)cc2c(=O)c1C(=O)OC(C)(C)C,OJYHFBGLHXHTLN-UHFFFAOYSA-N
-rxn:4:178585:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)C(O[Si](C)(C)C(C)(C)C)CCO4)c(F)ccc21,PKDMGTZBKIIERX-UHFFFAOYSA-N
-rxn:4:178597:226398,Cc1nccn1-c1cccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,LXXGXNOSESFXQR-UHFFFAOYSA-N
-rxn:4:178743:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3C(=O)C(F)F)cc2)CC1,QUEXUHHREQUZOX-UHFFFAOYSA-N
-rxn:4:178958:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c(F)c(C(F)(F)F)c1,YNAONDRQSBZUPH-UHFFFAOYSA-N
-rxn:4:179403:223559,COC(=O)c1c(C)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1Cl,MQSONDTUDKVRKY-UHFFFAOYSA-N
-rxn:4:180493:223539,COc1ccc(-c2ccc(C3CCCCO3)c(C3CC3)c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,RZPDGQWKBJBUCU-UHFFFAOYSA-N
-rxn:4:180509:222685,COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(-c2cc(NC(=O)OC(C)(C)C)c(F)cc2C)c1,VEWHEPDSAZRJAS-UHFFFAOYSA-N
-rxn:4:180528:224426,c1cc(-c2cc(C3CCCCC3)cc(C3CC3)c2)ccc1OC1CCC2(CC1)OCCO2,WLGOPYJTFZTAJL-UHFFFAOYSA-N
-rxn:4:181262:223536,CC(=O)c1c(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(F)c(F)c1F,FFOLZDNVVMUUIX-UHFFFAOYSA-N
-rxn:4:182306:223481,CC(C)(C)c1ccc2sc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc2c1,IVKUDMHCBRJIRY-UHFFFAOYSA-N
-rxn:4:182372:223971,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(N4CCC(C)CC4)cc(C(F)(F)F)c3)cc1C2=O,WXNOZHGFVTWNLW-HNKWHGCMSA-N
-rxn:4:182374:223818,CC(=O)c1cc2c(cc1-c1c(F)cc(F)c3c1ccn3C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C,MKTAQTWKAVMPCS-UHFFFAOYSA-N
-rxn:4:182396:222393,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1,MXUXLGWHSQFRQO-NCIHLBOSSA-N
-rxn:4:182475:223492,Cc1cc(-c2c(F)ccc(F)c2Cl)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GZHMVLPYPRNRKV-UHFFFAOYSA-N
-rxn:4:183096:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)C(Cl)CCC4)cc2)CC1,BUGVMQPJIMDPSV-UHFFFAOYSA-N
-rxn:4:183238:223534,CC1CCc2ccc(-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)cc2C(=O)C1,CHCYCIUAKVGUKH-UHFFFAOYSA-N
-rxn:4:183272:224915,Cc1cc(N2CCCCC2C)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,QIZWKUYLGVTWJV-UHFFFAOYSA-N
-rxn:4:183452:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OCCCSC#N)cc3)cn2)CC1,NGBVKXNATPRKTL-UHFFFAOYSA-N
-rxn:4:183600:225308,CS(=O)(=O)CCCOc1ncc(-c2cc(C(F)(F)F)cc(C3CC3)c2Cl)cc1C(F)(F)F,CENMGQHTTGVKPE-UHFFFAOYSA-N
-rxn:4:183627:222814,COC(=O)C(Oc1ccc(C#N)c(-c2ccnc(NC(=O)OC(C)(C)C)c2F)c1)C(C)C,MTDSLVKOYWVVJH-UHFFFAOYSA-N
-rxn:4:183639:222837,COC(=O)C(C)(C(=O)OC)c1ccc(-c2cccc(CC(=O)NC(C)(C)C)c2)cc1[N+](=O)[O-],RGJWCJGJDGMFFC-UHFFFAOYSA-N
-rxn:4:183668:222843,Cc1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)c(C(=O)NC(C)(C)C)c1,INURBKQLCSGCMF-UHFFFAOYSA-N
-rxn:4:183726:222589,CCCOc1cc(-c2ccc(OCCN3CCC(O)CC3)c(Cl)c2)ccc1C(=O)ON1C(=O)CCC1=O,GUNCVMMXVUSJQL-UHFFFAOYSA-N
-rxn:4:183759:223533,COCCOc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1C(=O)N1CCCC1,KTURKAYLCNVRIQ-UHFFFAOYSA-N
-rxn:4:183769:224254,CC1CCCN(C(=O)c2cc(-c3cc(OC(F)(F)F)ccc3OCC(=O)N3CCCCC3)ccc2F)C1,HUVVLAQAWMRLOJ-UHFFFAOYSA-N
-rxn:4:183769:225361,O=C(COc1ccc(OC(F)(F)F)cc1-c1cn(C2CCCC2)nc1C(F)(F)F)N1CCCCC1,JIFXSHWJYAPHTO-UHFFFAOYSA-N
-rxn:4:183825:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cc(Cl)cc(CN(C(=O)OC(C)(C)C)C2CC2)c1,RPMXYKGXRKKEKF-UHFFFAOYSA-N
-rxn:4:183881:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2F)cc1,FKQOUSYKHHMFMI-UHFFFAOYSA-N
-rxn:4:183923:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2ccc(OCC(=O)N(c3ccccc3)C3C=CS(=O)(=O)C3)cc2)c1,SKDBQAKZXGGCQA-UHFFFAOYSA-N
-rxn:4:183940:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN(C(=O)OC(C)(C)C)c4ccccc4)cc3)c3ccccc23)CC1,KRTTXTOOORHQDJ-UHFFFAOYSA-N
-rxn:4:183941:226847,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2SC)cc1,RFLFWGUZUXOCKA-UHFFFAOYSA-N
-rxn:4:183962:225423,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(-c2ccc(CCCCN(C)C)cc2)c1,BYWDVKBABLINBS-UHFFFAOYSA-N
-rxn:4:183983:224078,Cc1ccc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)cc1CN(C(=O)OC(C)(C)C)C(C)C,IGXZAOMWQKDICE-UHFFFAOYSA-N
-rxn:4:183983:224275,Cc1ccc(-c2nn(C(=O)OC(C)(C)C)c3ccccc23)cc1CN(C(=O)OC(C)(C)C)C(C)C,SZJVYZSWDJFUJE-UHFFFAOYSA-N
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-rxn:4:185304:226889,CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cc(Cl)cc(C(F)(F)F)c2F)c(OC)c1,BMLPWKOIUGWXFZ-UHFFFAOYSA-N
-rxn:4:185305:226127,CCOc1cc(S(=O)(=O)N2CCCCC2CC)ccc1-c1cc(C(C)C)ccc1OCC,PMVZGLDHDDTUSO-UHFFFAOYSA-N
-rxn:4:185317:225222,CC1CCCCN1c1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)ccc2C2CC2)c(F)cn1,FBYJBDUPHFMKJV-UHFFFAOYSA-N
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-rxn:4:185414:228230,Cc1cc(Cl)cc(-c2cnc(C3CC3)c(Cl)c2)c1OC1CCN(C(=O)OC(C)(C)C)CC1,AOIHTVMHBMOZIP-UHFFFAOYSA-N
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-rxn:4:186511:223533,COc1ccccc1Oc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1C#N,FHYZMSDXOCGYAQ-UHFFFAOYSA-N
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-rxn:4:187677:224999,CC(c1ccc(-c2ccc(C3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)cc1)N1CCOCC1,JHZGQQISLQLOAH-UHFFFAOYSA-N
-rxn:4:187688:225928,Cc1ccc(-c2ccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc2F)cc1S(=O)(=O)N(C)C,UQDUBEAQNBKHBW-UHFFFAOYSA-N
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-rxn:4:187691:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)c(F)c1,XXEBTKCERNFDFX-UHFFFAOYSA-N
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-rxn:4:188484:223579,COC(=O)c1ncc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cc1C(F)(F)F,DUVVFBDQMQQLAK-UHFFFAOYSA-N
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-rxn:4:189734:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2C(=O)N2CCCC2)c(F)c1,XDINZTBRIUEUBK-UHFFFAOYSA-N
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-rxn:4:189943:222624,CC(C)Cc1cc(-c2ccccc2CS(=O)(=O)N2CCOCC2)cc(C2CCNCC2)n1,CWTVMUXMLIJWJZ-UHFFFAOYSA-N
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-rxn:4:189984:222539,C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)cc1,DOCIGEFYYPWGBA-WJOHGMPJSA-N
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-rxn:4:190075:224592,N#CC1(c2ccc(F)c(-c3ccc(C(=O)N4CCCC(C(F)(F)F)C4)cc3F)c2)CCCCC1,MGYNNGJOKHHRSD-UHFFFAOYSA-N
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-rxn:4:190161:223522,COc1c(Cl)cc(C(=O)N2CCCC(F)(F)C2)cc1-c1cc(F)cc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)c1,RHHPYHWDVWILFL-UHFFFAOYSA-N
-rxn:4:190173:227735,Cc1ncc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)cc1C(F)(F)F,AIZVXQACNGPDEE-UHFFFAOYSA-N
-rxn:4:190179:226761,CSc1ccc(-c2ccc(S(=O)(=O)N3CCC(F)(F)CC3)c(C(F)(F)F)c2)c(C(F)(F)F)c1,HDIXWAAUHMCDPZ-UHFFFAOYSA-N
-rxn:4:190233:222837,CCC(=O)C1CCCN(c2ccc(F)cc2-c2cccc(CC(=O)NC(C)(C)C)c2)C1=O,AEFKUJQSDSWAER-UHFFFAOYSA-N
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-rxn:4:190339:223748,CC(c1cccc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)c1)N1CCCC(C(F)(F)F)C1,FAHFUGSWPLZUGJ-UHFFFAOYSA-N
-rxn:4:190347:224732,Cc1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2ccc(S(=O)(=O)OCC(C)(C)C)cc2)c1,LGTDZEIABCRGMR-UHFFFAOYSA-N
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-rxn:4:190367:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2ccc(CN(C)C3CCOCC3)cc2C)c1,XZUQFTZHCNLIEK-UHFFFAOYSA-N
-rxn:4:190374:223882,COc1ccc(-c2cc3c(C)cccc3n2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCCCC1C,USBMJBHRUPRMPK-UHFFFAOYSA-N
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-rxn:4:190426:224847,CC(C)S(=O)(=O)N1CCC(c2ccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)cc2)CC1,ANBRJVAOPREDDP-UHFFFAOYSA-N
-rxn:4:190439:222520,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C3CCCN3CC3CCCC3)cc2)ccc1C(F)(F)F,YDYPRLPWTALNQW-UHFFFAOYSA-N
-rxn:4:190471:224076,Cc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C)cc1-c1ccc2c(ccn2[Si](C)(C)C(C)(C)C)c1,XVWPUCSLGWPWRB-UHFFFAOYSA-N
-rxn:4:190481:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccccc3-c3cccc(C(=O)N4CCC(C)CC4)c3)cc2)C1,XYHJJINPLWLSRF-UHFFFAOYSA-N
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-rxn:4:190496:224292,Cc1cc(-c2cc(CN3CCC(C)CC3)cc(C(C)(C)C)c2)ccc1S(=O)(=O)OCC(C)(C)C,IKSYAAHOKWBHRE-UHFFFAOYSA-N
-rxn:4:190785:224329,O=C1CCN(C(=O)c2ccc(-c3ccccc3CC(=O)N3CC4CC3CS4)cc2F)CC1,ONFSARUSIYFYHP-UHFFFAOYSA-N
-rxn:4:190826:224420,Cc1cc2c(cc1-c1ccc3c(c1)C(=O)N(C(=O)OC(C)(C)C)C3)C(C)(C)CCC2(C)C,GGYPXPQVWQVWIC-UHFFFAOYSA-N
-rxn:4:190865:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)ccc1F,GTJUTSNCCRIMJJ-UHFFFAOYSA-N
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-rxn:4:190988:222758,Cc1cc(-c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)ccc1NC(=O)OC(C)(C)C,WUBQFVBAYYLPEQ-UHFFFAOYSA-N
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-rxn:4:191045:224292,Cc1cc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c3ccccc23)ccc1S(=O)(=O)OCC(C)(C)C,RFWVAOMONVJVBK-UHFFFAOYSA-N
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-rxn:4:191097:226526,COC(=O)c1ccc(OC)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,ZLXVTKWPJLKZNO-UHFFFAOYSA-N
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-rxn:4:191105:227466,COCCOc1ccc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cn1,HWTCASQPDDMXOH-UHFFFAOYSA-N
-rxn:4:191120:228261,CSc1ccc(F)c(C)c1-c1cc2c(cc1F)CC1(CCN(C(=O)OC(C)(C)C)CC1)C2=O,LMBANHHIPYMXSV-UHFFFAOYSA-N
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-rxn:4:191123:227012,CC(C)CSc1ccccc1-c1cccc2c1C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,BXABBBPQEOWMLM-UHFFFAOYSA-N
-rxn:4:191127:224863,CC(C)N(Cc1ccccc1-c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O)C(C)C,IHVLYBBTEFJXHX-UHFFFAOYSA-N
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-rxn:4:204136:223742,CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(CN3CCCC(F)(F)C3)c(N3CCOCC3)c2)cc1,MVBXWMVWTNAXKK-UHFFFAOYSA-N
-rxn:4:204182:225098,Cc1cc(-c2ccc(OCCN3CCCC3)nc2)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C,QJGKZVQEMLQYHV-UHFFFAOYSA-N
-rxn:4:204185:223813,Cc1cc(C)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C)c1-c1ccc(CN2CCC3(CC2)OCCO3)c(F)c1,FGEWJXFDCRWJMX-UHFFFAOYSA-N
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-rxn:4:204954:223568,Cc1ccc(N2C(=O)N(C(=O)c3ccccc3-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)C3CC2(C)Oc2ccccc23)cc1,JXORRLNBALOYSG-UHFFFAOYSA-N
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-rxn:4:206797:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C2CN(S(C)(=O)=O)CCO2)nc1,BMWSOJHPSKRUQF-UHFFFAOYSA-N
-rxn:4:206961:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cncc(S(=O)(=O)N2CCCC(C)C2)c1,RTPNEJCSLMGTDC-UHFFFAOYSA-N
-rxn:4:207080:225435,O=C(c1cncc(-c2ccccc2CN2CCCCC2)c1)N1CCC2(CC1)OCCCO2,CGETYRSWEOROIG-UHFFFAOYSA-N
-rxn:4:207090:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4C(=O)CC(N5CCC(C)CC5)C4=O)cc3)c2)CC1,XVPHFNUTJGRIDW-UHFFFAOYSA-N
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-rxn:4:207848:224367,Cc1cccc(N2C(=O)N(c3cccc(-c4ccc(OC(F)(F)F)c(OCC(C)C)c4)c3)C3CS(=O)(=O)CC32)c1,PSNBEZLTLWEUAP-UHFFFAOYSA-N
-rxn:4:207854:223003,Clc1ccc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)cc1C1CCNCC1,YRJANRNVSDVDJI-UHFFFAOYSA-N
-rxn:4:207890:222777,Cc1c(-c2ccc(CN3CCC(O)CC3)c(Cl)c2)cnn1CC12CC3CC(CC(C3)C1)C2,QJEDLPJHVDGSHT-UHFFFAOYSA-N
-rxn:4:207890:223542,Cc1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cnn1CC12CC3CC(CC(C3)C1)C2,SCCZSFJTQSCANI-UHFFFAOYSA-N
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-rxn:4:207959:222486,Cc1ccc(C2=NN3C(C2)c2cc(-c4cncc(-c5cncc(C6CCCCN6)c5)c4)ccc2OC3C2CCCCC2)cc1,XFLMTCNDBYUXCN-UHFFFAOYSA-N
-rxn:4:209561:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCOCC4=O)nc3)cc2F)CC1,SEQJEEQCWRIMOK-UHFFFAOYSA-N
-rxn:4:210592:223670,CC(=O)N1CCOc2cc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cnc21,MQMYMXXGKVGGDF-UHFFFAOYSA-N
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-rxn:4:212284:223660,CN1C(=O)COc2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cc21,LMGULMHBKWAFAI-UHFFFAOYSA-N
-rxn:4:212511:225937,CC(C)c1cnc(C(F)(F)F)cc1-c1cnn(CC2CN(C(=O)CCC(F)(F)F)C2)c1,SUUWXYFCCAIUOA-UHFFFAOYSA-N
-rxn:4:212537:223497,Cc1nc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cn1CCN(C)C(=O)OC(C)(C)C,CPHYSKOOUAJZDB-UHFFFAOYSA-N
-rxn:4:212540:223844,O=S(=O)(c1ccc(-c2cnn(CC3CN(CCOc4ccccc4)C3)c2)c(C(F)(F)F)c1)N1CCCC1,NJGLWLIKCVVZDS-UHFFFAOYSA-N
-rxn:4:212555:222744,CC(C)(C)OC(=O)NCc1ccccc1-c1cnc(OC2CCN(C(=O)COc3ccc(F)cc3)C2)nc1,TVWIYFKCHHZRND-UHFFFAOYSA-N
-rxn:4:212581:225371,COC(=O)c1cc(-c2ccc(CSC3=NCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cnc1C(F)(F)F,GIPWDYFVZKMBAR-UHFFFAOYSA-N
-rxn:4:212606:223047,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)NC4CC4)c3)cn2)C1,KZHFSEVQHBEWFB-UHFFFAOYSA-N
-rxn:4:212607:222916,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NC4=NCCS4)c3)cn2)CC1,NQIILFQYXNYSHR-UHFFFAOYSA-N
-rxn:4:212618:224323,Cc1cc(-c2cnc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn2)cc(C)c1S(=O)(=O)N1CCCC1,IQWMVEUYWNIVQK-UHFFFAOYSA-N
-rxn:4:212630:225126,O=C(c1cncc(-c2cc(F)ccc2OCC2CCCO2)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,QJBZGCMHOXOUKH-UHFFFAOYSA-N
-rxn:4:212634:223967,Cn1cc(-c2ccc(Oc3ccccc3)cc2C(F)(F)F)c(CN(C(=O)OC(C)(C)C)C2CCCC2)n1,OGMFNGQPUHFJNB-UHFFFAOYSA-N
-rxn:4:212645:224604,Cc1nc2cc(-c3cn(C)nc3CN(C(=O)OC(C)(C)C)C3CCOCC3)c(F)cc2n1C(C)(C)C,OUWWKOAIQFTITD-UHFFFAOYSA-N
-rxn:4:212649:227275,CCCOc1c(F)cccc1-c1cnc(OCC2CCCN(C(=O)C(C)(C)CC)C2)nc1,BERHJWVNNJAGBL-UHFFFAOYSA-N
-rxn:4:212650:225975,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,MNWCBLJSPXHQRP-UHFFFAOYSA-N
-rxn:4:212709:222884,CCOC(=O)c1c(-c2cc(F)cc(C(=O)NC(C)(C)C)c2)c(CN2CCC(=Cc3ccccc3)CC2)nn1C,KSZBYEJVLKXNET-UHFFFAOYSA-N
-rxn:4:212720:222753,CN(C(=O)c1ccc(-c2cccc(C(=O)NCc3cccs3)c2)nc1)C1CCCN(C(=O)OC(C)(C)C)CC1,JDIANLUGQKWTQV-UHFFFAOYSA-N
-rxn:4:212737:222624,CC(C)Cc1cc(-c2cc(CN3CCOCC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2CCNCC2)n1,ZSQPIWVHQMCZEJ-UHFFFAOYSA-N
-rxn:4:212737:224578,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3cc(-c4cnccn4)cc(C4CC4)c3)c2)CC1,ZUBOPMNKCXQEPB-UHFFFAOYSA-N
-rxn:4:212739:222580,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CC4)c4ccccc34)cc2N2CCCCC2)CC1,WJHARQZUUQWNLL-UHFFFAOYSA-N
-rxn:4:212739:223118,CCCC(=O)Nc1cccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCCC3)c2)c1,KEHPIGYLPLWWHH-UHFFFAOYSA-N
-rxn:4:212831:224603,COC(=O)CN1C(CN2CCOCC2)=Nc2ccc(-c3cccc4c3cnn4C3CCCCO3)cc2C1c1ccccc1,JIXPWTQJBBDSLX-UHFFFAOYSA-N
-rxn:4:212905:224415,CC(C)(C)OC(=O)N1CC(Oc2nccc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)n2)C1,SZTCFNLVBBLLSL-UHFFFAOYSA-N
-rxn:4:212914:223814,O=C(c1cncc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1,QWKPYEJFXCBWRC-UHFFFAOYSA-N
-rxn:4:212920:224325,COCCN1CCC(Oc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,KSPKXRPCGGNRNW-UHFFFAOYSA-N
-rxn:4:212933:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(C(=O)c5ccc(C(F)(F)F)cc5)C4)c3)cc2)CC1,ZARZNHBMMWYEQW-UHFFFAOYSA-N
-rxn:4:212944:225361,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cn(C3CCCC3)nc2C(F)(F)F)CC1,OQYDXSICDYOLKW-UHFFFAOYSA-N
-rxn:4:212990:223530,Cc1cccc(CC(=O)N2CC(Cn3cc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)c1,YVVXVWXSVLFXBK-UHFFFAOYSA-N
-rxn:4:213076:223530,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,ZSNULQGDEUTWGZ-UHFFFAOYSA-N
-rxn:4:213076:224309,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c3F)cn2)cc1,AMTNZTCKLUEZII-UHFFFAOYSA-N
-rxn:4:213078:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F,FFAYHXVRZLKYLF-UHFFFAOYSA-N
-rxn:4:213078:225556,CC(C)(C)OC(=O)c1cccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)c1,ILLWLSIHOPNMBI-UHFFFAOYSA-N
-rxn:4:213080:225984,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3cnc(Cl)c(N4CCOCC4)c3)c2)CC1,SCPKBFWOILWJRC-UHFFFAOYSA-N
-rxn:4:213090:223840,COc1ccc(-c2ccccc2CN2CCC(COc3cnccn3)CC2)cc1S(=O)(=O)N1CCN(C)CC1,MHBBUAJWZNLFRM-UHFFFAOYSA-N
-rxn:4:213101:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CC(Cn5nc(C6CC6)ccc5=O)C4)cc3)cc2)CC1,ATYDHWQZDUDLQH-UHFFFAOYSA-N
-rxn:4:213111:224482,COc1cccc(C(=O)N2CCC(Oc3ncc(-c4cccc(OCCCN5CCCC5)c4)cn3)CC2)c1,IFTFDFZXDGUYIK-UHFFFAOYSA-N
-rxn:4:213135:225300,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OC4CCOCC4)nc3F)cn2)CC1,TUGCHLVVFRHJNL-UHFFFAOYSA-N
-rxn:4:213143:224186,COc1ccc(OCc2ccc(-c3ccc([N+](=O)[O-])c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)cc1,TXXYFEIHNXORHE-UHFFFAOYSA-N
-rxn:4:213143:225307,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C4COC4)c(C(F)(F)F)c3)ccc2[N+](=O)[O-])CC1,BTPSIZGCPFDMMM-UHFFFAOYSA-N
-rxn:4:213165:224129,COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(C(=O)N(C)C2CCCCC2)c1,XAIXIQNBZFNYAM-UHFFFAOYSA-N
-rxn:4:213180:223866,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccccc4CN4C(C)(C)CCCC4(C)C)cn3)CC2)c(C)o1,DZOVKMZQFXFXRV-UHFFFAOYSA-N
-rxn:4:213192:226988,COCCCc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cc1,YVONEVDCYSHMPU-UHFFFAOYSA-N
-rxn:4:213194:224720,Cn1cc(C2CCCN(C(=O)CCc3ccccc3-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)C2)cn1,UUUGDJLSIKHMLM-UHFFFAOYSA-N
-rxn:4:213197:227217,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4cccc(OCCOC)c4)cc3)C2=O)CC1,OTLBLKCPQJALBA-UHFFFAOYSA-N
-rxn:4:213198:225947,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3cnc(N4CCN(C)CC4)nc3)c2)nc1C,JQWZGGROKDSQEZ-UHFFFAOYSA-N
-rxn:4:213205:224950,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC(COc4ncc(C)cn4)C3)cc2)c(CN2CCCC2)c1,ZNWQGVBTYZYOSQ-UHFFFAOYSA-N
-rxn:4:213217:224658,CCN1CCN(c2ncc(-c3ccc(N4CCN(C(C)=O)CC4)cc3)cc2C(=O)OC(C)(C)C)CC1,PQDWWTMOBGLTDB-UHFFFAOYSA-N
-rxn:4:213222:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(C(=O)N2CCN(Cc3nc(C(C)(C)C)cs3)CC2)o1,AOLIJOMJRLIPQR-UHFFFAOYSA-N
-rxn:4:213223:222730,CCCc1cc(-c2ccc(OC)cc2C(=O)N2CCC(Cn3ccnc3C)CC2)cc(C2CCNCC2)n1,JMBYNRSZBTUKRC-UHFFFAOYSA-N
-rxn:4:213263:224371,COC(=O)C1CCN(c2ncc(-c3cccc(C(=S)N4CCN(C(=S)c5ccc(N(C)C)cc5)CC4)c3)cn2)CC1,IWZSWPKNMNOPRN-UHFFFAOYSA-N
-rxn:4:213268:224421,CC(C)c1cc(C(C)C)c(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)c(C(C)C)c1,VIRNVCWDLIATBM-JHOBJCJYSA-N
-rxn:4:213268:225849,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cnc(N5CCCCC5)cc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,AVZZUXGBAJBAGG-DFBJGRDBSA-N
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-rxn:4:213374:224415,CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)ccc21,QUYWUKTWIYYHNP-UHFFFAOYSA-N
-rxn:4:213384:223533,COc1ccc2cc(C(=O)N3CCC(Oc4ncccc4-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)CC3)[nH]c2c1,QNULAUYAUKNGFY-UHFFFAOYSA-N
-rxn:4:213408:222937,CC(C)CN1C(=O)C(=Cc2c(Oc3ccc(-c4ccc(C(=O)NCC(F)(F)F)cc4)cc3)nc3ccccn3c2=O)SC1=S,DWRJGCBEYYDQTM-UHFFFAOYSA-N
-rxn:4:213412:223185,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cnc(C5CNCCO5)nc4)cc3nn2C)CC1,PXTAMQDVSNFYMV-UHFFFAOYSA-N
-rxn:4:213415:226487,COC(=O)COc1cccc(-c2ccc(-n3c(SCC(=O)N4CCCCCC4)nc4c(c3=O)SCC4)cc2)c1,RQYJTSKAQOCZSU-UHFFFAOYSA-N
-rxn:4:213421:224596,COc1cc(N2CCCCC2C)ccc1-c1ccc(CC(=O)N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)cc1,MOBZAFBDBWJYFF-UHFFFAOYSA-N
-rxn:4:213472:225008,COC1CCN(c2ccc(-c3ccccc3C(=O)N3CCN(CCN4C(=O)c5cccc6cccc(c56)C4=O)CC3)cc2)CC1,BRRPKPAEWLAUDC-UHFFFAOYSA-N
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-rxn:4:213821:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(Cl)c(C(=O)N4CCC(Oc5cnccn5)CC4)c3)c2)CC1,MNCYAYHEEROABC-UHFFFAOYSA-N
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-rxn:4:213876:224830,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(F)(F)F)nn3C3CCCCO3)nc2)CC1,WFBBLIJAHBAIOF-UHFFFAOYSA-N
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-rxn:4:213932:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C(F)(F)F)c1,URCAPXPWZYRWBA-UHFFFAOYSA-N
-rxn:4:213937:225007,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cccc(CN4CCCCC4)c3F)CC2=O)ccn1,QRNAOIXKCLPQDJ-UHFFFAOYSA-N
-rxn:4:213941:224780,Cc1c(-c2ccc(C3CCOC3)c(C(F)(F)F)c2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1,KXKYHAUXGMGDLZ-UHFFFAOYSA-N
-rxn:4:214022:224762,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)cn3)C2)cc1C,GFGORVKIVNOOBV-UHFFFAOYSA-N
-rxn:4:214024:226232,CN(C)CCOc1cccc(-c2cnc(OC3CCN(C(=O)C4CCC(F)(F)CC4)CC3)nc2)c1,KCNHCCNMDXXBON-UHFFFAOYSA-N
-rxn:4:214025:224617,CN(c1ccccn1)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(OCCN3CCCC3)c(Cl)c2)CC1,BPAVATRVVRSBDD-UHFFFAOYSA-N
-rxn:4:214027:224317,CN1CCN(C(=O)c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)c(F)c2)CC1,FQRQKOSRGVWESP-UHFFFAOYSA-N
-rxn:4:214033:228198,Cc1nc(C(C)C)ncc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,OEEFYNGGQKPZQT-FGZHOGPDSA-N
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-rxn:4:214081:224317,CN1CCN(C(=O)c2ccc(-c3ccc(C4=NC5(CCCCCC5)N(C(=O)c5ccc(Cl)c([N+](=O)[O-])c5)C4=S)cc3)c(F)c2)CC1,ZXMQMYJMZIMODC-UHFFFAOYSA-N
-rxn:4:214086:227489,CC(C)N1CCN(Cc2ccc(-c3cnc(N(C)C)c(C#N)c3)cc2N2CCCCC2)CC1,AUYUCJOHSMMUIL-UHFFFAOYSA-N
-rxn:4:214181:222634,CCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)cc3s2)CC1,YKVGGGRIXBEZKF-UHFFFAOYSA-N
-rxn:4:214183:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(C4CN(C(=O)OC(C)(C)C)C4)ncn3c2)cc1,GMAAMFXZLLAWQW-UHFFFAOYSA-N
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-rxn:4:214335:226652,Cc1cc(-c2ccccc2CN2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)n(C2CCCCO2)n1,QZSSCELLOITJFQ-UHFFFAOYSA-N
-rxn:4:214389:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4c(c3)C3(C(=O)N4CCC(C)C)c4[nH]c5ccccc5c4CCN3C(C)=O)c2)CC1,DZRGTZBWBXQDNZ-UHFFFAOYSA-N
-rxn:4:214390:228453,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cnn(CC(=O)OC)c4)ccc2OC32CCN(C(C)=O)CC2)cc1,YJOSZLUULQZPCP-UHFFFAOYSA-N
-rxn:4:214603:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(C(C)C(=O)N4CCCC4)c3)ccc2OC)CC1,KJXILUYXOXKNHT-UHFFFAOYSA-N
-rxn:4:214631:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)CC1,DNMPNIRUSCGQGS-UHFFFAOYSA-N
-rxn:4:214644:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1nc(OC(C)C)n(C2CCCCO2)n1,BIVLOQUSKRRGQI-UHFFFAOYSA-N
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-rxn:4:214819:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)CC1,ORDSCHDMLMJOAP-UHFFFAOYSA-N
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-rxn:4:214821:224076,CC(C)(C)[Si](C)(C)n1ccc2cc(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)c(F)c3)ccc21,LZYBDCAVBJCZRF-UHFFFAOYSA-N
-rxn:4:214836:223744,CCCCOc1c(C)cccc1-c1ncccc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,LQXDLVGDUYFESM-UHFFFAOYSA-N
-rxn:4:214855:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(C5CCSCC5)CC4)nc3)cc2)CC1,MNEKJIODNVPCLX-UHFFFAOYSA-N
-rxn:4:214862:223951,CN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2F)CC1,WJZVAYCUEKDUAZ-UHFFFAOYSA-N
-rxn:4:214870:226001,N#Cc1cc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1OC(F)(F)F,AJXWEMAGDGDQSG-UHFFFAOYSA-N
-rxn:4:214875:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)c1,LJNSSZZRLBTCQS-UHFFFAOYSA-N
-rxn:4:214889:223814,CN1CCN(Cc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cc2N2CCCC2)CC1,JCVNDDLNTYGBSF-UHFFFAOYSA-N
-rxn:4:215016:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc4c(c3)ncn4C(=O)OC(C)(C)C)cc2)CC1,CTOMEBGVIFQTLM-UHFFFAOYSA-N
-rxn:4:215052:223579,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cc1S(=O)(=O)n1nnc2cc(Cl)ccc21,TVBXVMMWCXXMEA-UHFFFAOYSA-N
-rxn:4:215098:222912,CC(C)CNS(=O)(=O)c1ccc(-c2nn(C)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1,NPNVYXNNEGJJCF-UHFFFAOYSA-N
-rxn:4:215131:223557,Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1-c1c(F)ccc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,STMJWUPVWVRVHM-UHFFFAOYSA-N
-rxn:4:215148:224936,CC(C)(C)OC(=O)Cc1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,IOUCMSSPWPILAK-UHFFFAOYSA-N
-rxn:4:215161:223590,Cc1ccc2c(c1)N(Cc1nc(-c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4C)cc3)no1)C(=O)CO2,SBHADWOMZYVTEB-UHFFFAOYSA-N
-rxn:4:215170:225537,CCN(CC)Cc1ccc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,YQOOWURYFFHZIZ-UHFFFAOYSA-N
-rxn:4:215228:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc4nc(N5CCN(C(=O)C6CCCCC6)CC5)sc4c3)ccc21,JVGHCIHBRHYJIV-UHFFFAOYSA-N
-rxn:4:215298:225294,CCN1CCN(c2ncc(-c3ccc4c(c3)C3(C(=O)N4C)c4[nH]c5ccccc5c4CCN3C(=O)CC(C)C)cn2)CC1,BZWVXECPJZETJI-UHFFFAOYSA-N
-rxn:4:215304:223481,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,RAKGQKUIMXRHLN-UHFFFAOYSA-N
-rxn:4:215688:223748,O=[N+]([O-])c1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)nc(N2CCCC2)c1,OMDTXBGNHRZBPE-UHFFFAOYSA-N
-rxn:4:215823:223787,COc1nc(N2CCCCC2)ncc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,JWEZHBZUFBCNRM-UHFFFAOYSA-N
-rxn:4:215898:222723,CS(=O)(=O)N1CCC(c2cnc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,JTFYUAIYPHTHLY-UHFFFAOYSA-N
-rxn:4:215959:222602,Cc1cc([N+](=O)[O-])c(N2CCN(C)CC2)cc1-c1cc(CC(C)C)sc1S(=O)(=O)NC(C)(C)C,YPEWVQUULLACPN-UHFFFAOYSA-N
-rxn:4:215989:222711,COc1ccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)cc1S(=O)(=O)NC(C)(C)C,VFPCNDMAWZMPPZ-UHFFFAOYSA-N
-rxn:4:216157:223491,Cc1c(Oc2ccn3ncnc3c2)ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c1F,YMQLTGVIOOODHN-UHFFFAOYSA-N
-rxn:4:216354:225219,CC(=O)N1CCC2(CC1)Oc1ccc(-c3cnc(N4CCCCC4C)cc3F)cc1C1CC(c3ccccc3)=NN12,ZZIHSOCWINBLQX-UHFFFAOYSA-N
-rxn:4:216425:223492,Cc1cc(-c2cnn(C)c2[N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,XESGMGGYCZWSCX-UHFFFAOYSA-N
-rxn:4:216904:223482,O=c1ccccn1-c1ncc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c(Cl)n1,DYAYJSADCKVHHM-UHFFFAOYSA-N
-rxn:4:217129:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cnc(N4CCCCC4)nc3Cl)cc2)CC1,PVGALDSFGHBIDT-UHFFFAOYSA-N
-rxn:4:217905:226281,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CC(=O)N(C)C)cc4)ccc2OC32CCN(C)CC2)o1,KTKNJIBICGOMSZ-UHFFFAOYSA-N
-rxn:4:218499:223481,Cc1nc2c(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)ccnc2n1C,GVJKKRAWSRLFAA-UHFFFAOYSA-N
-rxn:4:218551:225546,COc1cccc(OCC(C)C)c1-c1c(CN(C)C(=O)OC(C)(C)C)nn(C)c1C#N,IPIBBRQKLKVIEF-UHFFFAOYSA-N
-rxn:4:218582:222604,COc1ccc(-c2cnc(OCC3CCCN(C(=O)Cc4cccnc4)C3)nc2)cc1S(=O)(=O)NC1CCCC1,JQCFDFFYFOJGHQ-UHFFFAOYSA-N
-rxn:4:218586:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(Cc5ccc(C#N)cc5F)C4)nc3)cc2)CC1,QOIXREHXWKFYCI-UHFFFAOYSA-N
-rxn:4:218608:225763,COC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)c4cc(C5CC5)on4)C3)nc2)c(C)cc1OC,LNIDLSJCEHZUIN-UHFFFAOYSA-N
-rxn:4:218620:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(OCC3CCCN(Cc4csc(C5CC5)n4)C3)nc2)CC1,JOLFIYWHWAPEHQ-UHFFFAOYSA-N
-rxn:4:218664:225984,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)C2)cc1,IPGKWUHAOHIJDX-UHFFFAOYSA-N
-rxn:4:218682:223812,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)CC1,MUPJDOPVXDPXAV-UHFFFAOYSA-N
-rxn:4:218687:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cncc(C(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)c1,TYYDAWPXVMPEKR-UHFFFAOYSA-N
-rxn:4:218687:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cncc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)c2)CC1,QNJNCBRYYGMDFT-UHFFFAOYSA-N
-rxn:4:218703:223812,COc1ccc(-c2cc(N3CCCN(C(=O)Cc4ccccc4-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)CC3)[nH]n2)cc1,XSYGYJSDMDQIKN-UHFFFAOYSA-N
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-rxn:4:218713:226858,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cc(OC(F)(F)F)ccc4Cl)c3C)CC2)cc1C,CCCVIWGCLLCKHA-UHFFFAOYSA-N
-rxn:4:218778:225176,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4ccc(CN5CCOCC5)c(Cl)c4)cc(Cl)cc32)cc(C)c1F,QBWHASZKHPRBBK-UHFFFAOYSA-N
-rxn:4:218868:226382,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(C4CCCCC4)nc3)cc2)no1,NRIFPPDGBBMRLQ-UHFFFAOYSA-N
-rxn:4:218868:226427,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(N4CCC(C)CC4)cs3)cc2)no1,CPMLRZCODQPYPF-UHFFFAOYSA-N
-rxn:4:218877:223816,C[Si](C)(C)CCOCn1c(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)cc2c(Cl)ccnc21,GHSSMJAHKNFLTF-UHFFFAOYSA-N
-rxn:4:218877:225512,C[Si](C)(C)c1cc2cccc(-c3cnc(OC4CCCN(C(=O)CN5CCOC5=O)C4)nc3)c2s1,WCUPIZAPYIXBQV-UHFFFAOYSA-N
-rxn:4:218878:222604,COc1ccc(-c2cncc(C(=O)N3CCC(COc4ncccn4)CC3)c2)cc1S(=O)(=O)NC1CCCC1,SDIFDKBRMNNFPS-UHFFFAOYSA-N
-rxn:4:218880:222604,COc1ccc(-c2cnc(OCC3CCN(C(=O)c4ccncc4)CC3)nc2)cc1S(=O)(=O)NC1CCCC1,ADVXKDAYSMAGGQ-UHFFFAOYSA-N
-rxn:4:218881:222604,COc1ccc(-c2cnc(OCC3CCCN(C(=O)c4ccncc4)C3)nc2)cc1S(=O)(=O)NC1CCCC1,QABSDBFMUPQZDR-UHFFFAOYSA-N
-rxn:4:218883:222604,COc1ccc(-c2cnc(OCC3CCCN(C(=O)c4cccnc4)C3)nc2)cc1S(=O)(=O)NC1CCCC1,MFUDSWQTLYDUGI-UHFFFAOYSA-N
-rxn:4:218884:222604,COc1ccc(-c2cncc(C(=O)N3CCCC(COc4ncccn4)C3)c2)cc1S(=O)(=O)NC1CCCC1,UXPUIOUJJKACQT-UHFFFAOYSA-N
-rxn:4:218904:224162,Cc1nc(CN2CCC(COc3ncc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)cn3)CC2)co1,KMGZNCDQLRDFCO-UHFFFAOYSA-N
-rxn:4:218944:223167,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc(N4CCNCC4)c3)cc2[N+](=O)[O-])CC1,YTVJJNZPBMIEJP-UHFFFAOYSA-N
-rxn:4:218945:227255,COC(=O)Cc1cccc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)c1,QZQFSFVMFJCCHA-UHFFFAOYSA-N
-rxn:4:218950:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccccc3CC(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)c2)C1,DLGFZBUKLPAERR-UHFFFAOYSA-N
-rxn:4:218983:226844,COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1,VYQRTIIKJAXVBI-UHFFFAOYSA-N
-rxn:4:218991:225940,Cn1cc(-c2cc(C(F)(F)F)cnc2C2CC2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,HEJKNLDOXZTHFX-UHFFFAOYSA-N
-rxn:4:218998:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)c(Cl)c2)CC1,SNEAZGXIZPKXPF-UHFFFAOYSA-N
-rxn:4:219012:225758,CN(c1ncc(-c2ccncc2C(=O)OC(C)(C)C)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,DGNNCYVABGZMJT-UHFFFAOYSA-N
-rxn:4:219016:223816,CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cncc(-c3cc4c(Cl)ccnc4n3COCC[Si](C)(C)C)c2)C1,XDBXVVFXFXOQIF-UHFFFAOYSA-N
-rxn:4:219046:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OCC2CCCN(C3CCN(C4CC4)C3=O)C2)nc1,LJJFYYAURQLVPJ-UHFFFAOYSA-N
-rxn:4:219067:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cccc(N4CC(C(=O)N5CCC(Cn6ccnc6)CC5)CC4=O)c3)c(F)c2)CC1,FQRTVKUWVWNULR-UHFFFAOYSA-N
-rxn:4:219093:224864,CCC(=O)C1=C(c2ccc(-c3ccc(CN(C(C)C)C(C)C)cc3)cc2)N(C(=O)CC)n2cnnc2S1,ACGSLOBMAUCXPA-UHFFFAOYSA-N
-rxn:4:219120:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,VPYYIHQIRWPKDS-UHFFFAOYSA-N
-rxn:4:219128:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c2)CC1,PAYTVTFONSHSCG-UHFFFAOYSA-N
-rxn:4:219165:223637,CC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(-c4ccccc4C4CCCN(C(=O)OC(C)(C)C)C4)cc3)no2)c1=O,QGHYPKAKUZQMAR-UHFFFAOYSA-N
-rxn:4:219354:222632,CN(C1CCN(c2ncc(-c3cccc(C(=O)NCCN4CCCC4)c3)cn2)C1)S(=O)(=O)C1CC1,JFNNYVRZAJGVGF-UHFFFAOYSA-N
-rxn:4:219354:223671,CN(C1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1)S(=O)(=O)C1CC1,HDVWTRIXKHEDRN-UHFFFAOYSA-N
-rxn:4:219406:222634,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)CC1,CIHREJJDRIUTNP-UHFFFAOYSA-N
-rxn:4:219418:224375,COc1cc(N2CCN(C(=O)c3cncc(-c4ccc(C(=O)ON5C(=O)CCC5=O)cc4)c3)CC2=O)ccn1,SXNKYHBUSZRPSV-UHFFFAOYSA-N
-rxn:4:219451:225939,CC(C)c1cc(-c2cn(C)nc2C(=O)N2CCCN(CC3CC3)CC2)cnc1C(F)(F)F,IYJYDDAUMUUVSK-UHFFFAOYSA-N
-rxn:4:219456:226508,CC1CN(C(=O)OC(C)(C)C)CCC1n1ncc(-c2ccc(OCC3CC3)nc2F)n1,ZUWGYHGNRWMTED-UHFFFAOYSA-N
-rxn:4:219462:225375,O=S(=O)(N1CCCC1)N1CCCC(Oc2ncc(-c3ccc(OC(F)(F)C(F)(F)F)cc3)cn2)C1,ZAWUQJOPVHSVNJ-UHFFFAOYSA-N
-rxn:4:219473:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)CC1,WXOKFZLIOMIXRJ-UHFFFAOYSA-N
-rxn:4:219498:224609,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1cnccc1C(=O)N(C(C)C)C(C)C,RCVUITJDWJDKLK-UHFFFAOYSA-N
-rxn:4:219501:226255,CCCCOc1ccc(Cl)cc1-c1cnc(SC)nc1N1CCOC(C(=O)N2CCOCC2)C1,XZFMOHJPHILFEX-UHFFFAOYSA-N
-rxn:4:219539:223671,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,MLSOVCSWFNETTQ-UHFFFAOYSA-N
-rxn:4:219539:224774,Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccccc2-c2ccc(N3CCCC3)c(C(F)(F)F)c2)CC1,NPGHURIGKJBJRK-UHFFFAOYSA-N
-rxn:4:219562:227032,N#Cc1cccc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)c1C1CC1,GPOKCDZSDPAQNA-UHFFFAOYSA-N
-rxn:4:219565:223658,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c5ccccc45)cc3)CC2)n1,YKMNVOFUEMVIMQ-UHFFFAOYSA-N
-rxn:4:219623:224758,O=C(c1ccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)o1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,XMEFDQAHNGFBEO-UHFFFAOYSA-N
-rxn:4:219654:222584,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc23)CC1,CSVFBCKSYPJMQL-UHFFFAOYSA-N
-rxn:4:219654:224398,Cc1cc(F)c(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)cc1S(=O)(=O)N1CCCC1,VEYQSTJOWMMPOY-UHFFFAOYSA-N
-rxn:4:219654:224663,CN1CCN(Cc2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cc2F)CC1,AITPARJOGHWVKW-UHFFFAOYSA-N
-rxn:4:219654:224718,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(OCCN5CCOCC5)nc4)cc23)CC1,DVTLLCFEDFIGRX-UHFFFAOYSA-N
-rxn:4:219716:223815,Cc1cc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(Cl)c(CN6CCC7(CC6)OCCO7)c5)cc4)CC3C2)ncn1,NMXWIICUPJEDRK-UHFFFAOYSA-N
-rxn:4:219769:225877,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(Cl)cc4N4CCOCC4)cc2)OC3)CC1,AKNYJLXPOQBMOY-UHFFFAOYSA-N
-rxn:4:219880:222812,CSc1ncc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)c(N2CCN(S(C)(=O)=O)CC2)n1,HRSJDBZZDBYWGG-UHFFFAOYSA-N
-rxn:4:219935:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(CN4CCN(c5ccncn5)CC4)cc3)cn2)CC1,VQGBWQXEUWFKQE-UHFFFAOYSA-N
-rxn:4:219975:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)cc2F)CC1,VZPBRRQQLMKNDH-UHFFFAOYSA-N
-rxn:4:220120:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(=O)N4C5CCC4CC(n4ccnn4)C5)cc3)cc2C)CC1,WSGOQLMBQNVFMA-UHFFFAOYSA-N
-rxn:4:220120:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4C5CCC4CC(n4ccnn4)C5)cc3)ccc2C)CC1,WCKULGXFFBZCOW-UHFFFAOYSA-N
-rxn:4:220120:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3C4CCC3CC(n3ccnn3)C4)cc2)CC1,JZEAIXMUUMTWBU-UHFFFAOYSA-N
-rxn:4:220415:224022,c1cc(C23CC4CC(CC(C4)C2)C3)ccc1-c1cnc(N2CCN(C3CCC3)CC2)nc1,DXLBXSMGVRJBOM-UHFFFAOYSA-N
-rxn:4:220430:224975,CCN1CCN(c2ccc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)cc2)CC1,MDUPOSDFLKBRGQ-UHFFFAOYSA-N
-rxn:4:220491:222546,CC(C)(C)C(=O)N1CCn2nc(-c3ccc(OCCNC4CCCCC4)c(F)c3)nc2C1,ZEVCQGBNBOTCJU-UHFFFAOYSA-N
-rxn:4:221088:225378,CN(C)S(=O)(=O)c1cc(F)c(F)cc1-c1cnc(OCC2CCCN(Cc3nnc(C(F)(F)F)o3)C2)nc1,BEHWDFIKDZRYFK-UHFFFAOYSA-N
-rxn:4:221108:225056,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccc(N5CCCC(C)C5)cc4F)cn3)CC2)c(=O)c1C,JLGUTAIWWOWKNK-UHFFFAOYSA-N
-rxn:4:221110:228742,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cc(Cl)cc(C#N)c4)cn3)CC2)CC1,HBPRBSWQQBJDLZ-UHFFFAOYSA-N
-rxn:4:221121:224959,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCC6CCCCO6)cc5)ccc43)CC2)CC1,DWUFHKBXIMWPKY-UHFFFAOYSA-N
-rxn:4:221121:225807,COc1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(-c2cncs2)c1,ZNSJQHLZZWJBJC-UHFFFAOYSA-N
-rxn:4:221121:226655,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cc(Cl)cnc5N5CCCC5)ccc43)CC2)CC1,BCPWFJAEBRBQEH-UHFFFAOYSA-N
-rxn:4:221151:223521,CC(c1cccc(-c2cnc(OCC3CCCN(C(=O)c4cnccn4)C3)nc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,IKUHMTMRPNZDCC-UHFFFAOYSA-N
-rxn:4:221152:224618,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccnc(CO[Si](C)(C)C(C)(C)C)c3)cn2)C1,MACVTSWCMFBEIS-UHFFFAOYSA-N
-rxn:4:221163:223776,COc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c1,BIVAHAFVXPYXFS-UHFFFAOYSA-N
-rxn:4:221163:223838,COc1ccc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c1,LCHKUSKALLPIHO-UHFFFAOYSA-N
-rxn:4:221177:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)c1,YUUWBBIREFNCAW-UHFFFAOYSA-N
-rxn:4:221195:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)cc3)cc2F)CC1,AMNIDWDSNUHQGC-UHFFFAOYSA-N
-rxn:4:221240:223084,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4)cn3)C1)CCC2,KDEKJMPCJPBYDD-UHFFFAOYSA-N
-rxn:4:221253:224156,Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2nc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)ccc21,NQGZKCWPIBCFRY-UHFFFAOYSA-N
-rxn:4:221353:224405,O=C(c1cncc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)c1)N1CCC(n2cc(C3CC3)nn2)C1,YTRVXDDBMZIQES-UHFFFAOYSA-N
-rxn:4:221398:226486,COC(=O)COc1ccc(-c2cnc(OC3CCN(C(=O)N4CCN(C)CC4)CC3)nc2)cc1,YGDXSDDGALMWCT-UHFFFAOYSA-N
-rxn:4:221410:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CN4CCN(c5cc(N(C)C)ncn5)CC4)cc3)c2)CC1,RJJSRNRBOQYWSC-UHFFFAOYSA-N
-rxn:4:221415:225952,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCOCC5)nc4C)cc3)CC2)n1,RAVBXOCRADNCOY-UHFFFAOYSA-N
-rxn:4:221421:225126,O=C(c1cccc(-c2cc(F)ccc2OCC2CCCO2)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,GRSXMSXRPNSJFJ-UHFFFAOYSA-N
-rxn:4:221429:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1,VPAXSUNPJBRVQY-UHFFFAOYSA-N
-rxn:4:221443:223018,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4ccc5c(c4)NC(=O)C(C)(C)O5)c3)CC2)n1,HHKGHCDWMKQULD-UHFFFAOYSA-N
-rxn:4:221447:225428,CCCCC(=O)c1ccc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c(C)c1,WBJZBMUVUNKFBC-UHFFFAOYSA-N
-rxn:4:221449:222969,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC5CC5)cc4)cc3)CC2)n1,TWKUUMBPFFFYGB-UHFFFAOYSA-N
-rxn:4:221450:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(-n2nnc(C(=O)N3CCN(c4ccccc4C)CC3)c2C)cc1C,JJDVVQCQLUVTTL-UHFFFAOYSA-N
-rxn:4:221456:227951,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc([N+](C)(C)C)cc4)cc3)CC2)n1,CMQZSVPMQSZOOU-UHFFFAOYSA-N
-rxn:4:221685:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cncc(C(=O)N4C5CCC4CC(n4nccn4)C5)c3)cc2C)CC1,YTTLCJROIPAVDZ-UHFFFAOYSA-N
-rxn:4:221685:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cncc(C(=O)N4C5CCC4CC(n4nccn4)C5)c3)c2)CC1,BFHQWXFEJYNXSS-UHFFFAOYSA-N
-rxn:4:221685:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4C5CCC4CC(n4nccn4)C5)c3)ccc2C)CC1,YXYXVZBXUAOHKF-UHFFFAOYSA-N
-rxn:4:221685:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cncc(C(=O)N3C4CCC3CC(n3nccn3)C4)c2)CC1,IWXFUTHOHRYRRP-UHFFFAOYSA-N
-rxn:4:221731:222584,O=c1cc2c(nn1CC1CCN(c3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC1)CCCC2,UQCZCWXISTYECJ-UHFFFAOYSA-N
-rxn:4:221918:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(CC(=O)N3CCC(n4cc(-c5nc(C(C)C)no5)nn4)C3)cc2)c1,PFMRYJBGCBKVSZ-UHFFFAOYSA-N
-rxn:4:221925:224267,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccccc5-c5cccc(N6CCC7(CC6)OCCO7)c5)no4)C3C2=O)cc1,ARJVTTRSAGNCHA-UHFFFAOYSA-N
-rxn:4:221933:222656,CN(C(=O)c1cncc(-c2ccc(C(=O)NC3CCCCC3)c(F)c2)c1)C1CN(c2nccnc2C#N)C1,UMLXRMRGCRCJTG-UHFFFAOYSA-N
-rxn:4:221938:223743,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4cn(C)nn4)C3)nc2)cc1OCCCN1CCC(C)CC1,OKQOWNQDMLKPBA-UHFFFAOYSA-N
-rxn:4:221965:223056,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCC(O)CC6)nc5)cc4)CC3)nn2)CC1,RLGAWUMXDJTFIZ-UHFFFAOYSA-N
-rxn:4:221965:226567,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)C(=O)OC)cc5)cc4)CC3)nn2)CC1,OHSBIITURXUOPC-UHFFFAOYSA-N
-rxn:4:221967:222519,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)cc2)c1=O,SXEWSCVTPDPNMC-UHFFFAOYSA-N
-rxn:4:221980:225195,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(F)c(OC6CCCCO6)c5)c4)sc3n2)CC1,NOQUQMYXOJMWIW-UHFFFAOYSA-N
-rxn:4:222061:224398,Cc1cc(F)c(-c2cccc(S(=O)(=O)N3CCN(c4ccc(-n5nc(C)c(C)c5C)nn4)CC3)c2)cc1S(=O)(=O)N1CCCC1,WCROENDBHKLGFX-UHFFFAOYSA-N
-rxn:4:222089:222890,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc(C2CCCNC2)n1,OQGYIYTVYZDIGU-UHFFFAOYSA-N
-rxn:4:222102:222698,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)N7CCC(O)CC7)c(Cl)c6)cc5)no4)C3C2=O)cc1,KEJZQZPFTTVADR-UHFFFAOYSA-N
-rxn:4:222108:224952,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CCN7CCOCC7)c6)cc5)no4)C3C2=O)cc1F,CGLZWOFKAFLYSL-UHFFFAOYSA-N
-rxn:4:222137:224782,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)c(N3CCN(C)CC3)c2)cc1,VRJWADGEFHIUPM-UHFFFAOYSA-N
-rxn:4:222203:222601,CC(C)(C)OC(=O)Nc1nc2c(-c3cncc(C(=O)N4CCN(c5nccn6nc7c(c56)CCCC7)CC4)c3)cccc2s1,WXXBLFXNTRMPIM-UHFFFAOYSA-N
-rxn:4:222228:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc3nc(N4CCN(c5ccc6nccn6n5)CC4)sc3c2)CC1,MZYKFODKYIQEMW-UHFFFAOYSA-N
-rxn:4:222229:222389,c1nc2c(c(N3CCN(c4ncc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cn4)CC3)n1)CCCC2,NWSBPUHGQCQEAQ-UHFFFAOYSA-N
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-rxn:4:222317:223490,Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5-c5ccc(C)c(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)CC4)ncnc32)cc1,PIHCRIZGGGVGDZ-UHFFFAOYSA-N
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-rxn:4:222389:206668,CCc1nc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cn1C1CCCCO1,KUOAOZDXCPSKKK-UHFFFAOYSA-N
-rxn:4:222442:219867,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cc2[N+](=O)[O-])CC1,NHIKHPVCNLNKTM-UHFFFAOYSA-N
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-rxn:4:222513:217889,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cnc(N2C3CCC2CC(=C2CC2)C3)nc1,VXFTUMKRQXBFLJ-UHFFFAOYSA-N
-rxn:4:222523:197798,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)c(C(F)(F)F)c1,AVGUTSSNASBZMC-UHFFFAOYSA-N
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-rxn:4:222602:215131,Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1-c1cc(CC(C)C)sc1S(=O)(=O)NC(C)(C)C,OKGUBYAFGXNUHL-UHFFFAOYSA-N
-rxn:4:222783:174526,Cc1c(-c2ccc(Cl)c(NC(=O)OC(C)(C)C)c2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,ZQXPKWIAMQOJJA-UHFFFAOYSA-N
-rxn:4:222801:187671,Cc1ccc(-c2cc(CN3CCC(C(F)(F)F)CC3)cc(C(C)(C)C)c2)cc1S(=O)(=O)NC(C)(C)C,NTGBYEJIAIWRCX-UHFFFAOYSA-N
-rxn:4:222910:187822,CCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(CC(=O)OC(C)(C)C)C3=O)c(C)c1,LZEJXXZPRANMCV-UHFFFAOYSA-N
-rxn:4:222940:174526,Cc1c(-c2cncc(S(=O)(=O)NC(C)(C)C)c2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,YQZZGRJJKHROAI-UHFFFAOYSA-N
-rxn:4:222960:214033,Cc1cc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc(C2CCNCC2)c1,WPIRQVUWFNJNTP-KAYWLYCHSA-N
-rxn:4:223072:187633,CCCNS(=O)(=O)c1ccc(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)cc1,HVSXBRWCEJFJDG-UHFFFAOYSA-N
-rxn:4:223570:174571,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4cc(OCC(=O)OC(C)(C)C)ccc4c3)c(F)ncc21,IVCORZXAUMDTKT-UHFFFAOYSA-N
-rxn:4:223570:189982,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(S(=O)(=O)N(C)C(C)(C)C)c3)c(F)ncc21,TVGVYBDCGVNTNK-UHFFFAOYSA-N
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-rxn:5:176853:225623:225620,COC(=O)c1cc(-c2cccc(OC3CCOCC3)c2)c(-c2ccc(OC3CCOCC3)cc2)cc1OC,FDMACKDBKWQPBZ-UHFFFAOYSA-N
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-rxn:5:177184:222989:225636,CCOC(=O)c1c(-c2ccnc(N3CCC(C)CC3)c2)ccc(C)c1-c1ccc(N2CCNCC2)cc1C,ZYHAFCURHXNMCY-UHFFFAOYSA-N
-rxn:5:177190:226572:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cnc(OC3CCCC3)nc2)c1,LMDRPOMQCFIYGV-UHFFFAOYSA-N
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-rxn:5:177191:225602:223001,N#CC1(c2ccc(F)c(-c3cc(-c4cc(C5CCCNC5)ccc4F)ccc3CC(=O)C3CC3)c2)CCC1,GAPBOMRJEVEHCE-UHFFFAOYSA-N
-rxn:5:177192:222989:223056,CCOC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(N3CCNCC3)cc2C)c1C,WNICHVZIDUXZGF-UHFFFAOYSA-N
-rxn:5:177192:222989:225636,CCOC(=O)c1ccc(-c2ccnc(N3CCC(C)CC3)c2)c(-c2ccc(N3CCNCC3)cc2C)c1C,QARKIWXVIZGITM-UHFFFAOYSA-N
-rxn:5:177192:222989:225638,CCOC(=O)c1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(-c2ccc(N3CCNCC3)cc2C)c1C,UXVSGTKFHKLZBC-UHFFFAOYSA-N
-rxn:5:177192:222989:225639,CCOC(=O)c1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(N3CCNCC3)cc2C)c1C,XHVCLLNHWNSVQO-UHFFFAOYSA-N
-rxn:5:177193:225439:223062,CCOC(=O)c1cc(C)c(-c2cccc(C(C)N3CCCC3)c2)cc1-c1cnc(C2CCNCC2)cc1F,CPCCNTZCLUDVDM-UHFFFAOYSA-N
-rxn:5:177449:225824:225799,COc1cc(-c2cc(C3CC3)cc(C(F)(F)F)c2)c(-c2cncc(OC3CCOCC3)c2)cc1OC(C)C,KDLQIRDBXYKBJH-UHFFFAOYSA-N
-rxn:5:177732:226330:226679,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cnc(N3CCCC3)cc2F)s1)N1CCCC1,UJDSVJOWGBVFLB-UHFFFAOYSA-N
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-rxn:5:177734:227656:226036,COc1c(F)cc(C(F)(F)F)cc1-c1cc(C(=O)OC(C)C)c(C)cc1-c1cc(N2CCOCC2)cs1,CGIGKJKVYFCVFZ-UHFFFAOYSA-N
-rxn:5:177736:223064:225834,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccc(C3CCNCC3)nc2F)c1,KZVFKRRZTWJPOB-UHFFFAOYSA-N
-rxn:5:177736:225982:225438,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cnc(N3CCOCC3)cc2F)cc1)N1CCCC1,UYASKXHMBKTDLK-UHFFFAOYSA-N
-rxn:5:177737:226794:225834,CC(C)(C)OC(=O)c1cc(-c2cc(N3CCCCC3)ncc2F)ccc1-c1cnc(N2CCSCC2)nc1,PRUKGUVVMVGECG-UHFFFAOYSA-N
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-rxn:5:177851:225613:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccnc(OC2CCCCC2)c1,SSEBQAONTSMSDP-UHFFFAOYSA-N
-rxn:5:177891:223135:223183,CNS(=O)(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2C2CCCNC2)c(C)c1,MCLRUPQJXQFZCH-UHFFFAOYSA-N
-rxn:5:177891:223140:227507,O=C(SC1CS(=O)(=O)CC1c1cccc(C=C[N+](=O)[O-])c1)c1ccccc1-c1ccnc(C2CCCNC2)c1,MRLXIPZKHXWWBF-UHFFFAOYSA-N
-rxn:5:177891:223148:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1ccccc1C1CNCCO1,ZZXWGFZBGJUGPD-UHFFFAOYSA-N
-rxn:5:177891:223294:226042,O=C(SC1CS(=O)(=O)CC1c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1-c1csc(N2CCNCC2)n1,BSOXOLJPEOEVHI-UHFFFAOYSA-N
-rxn:5:177891:223354:223135,CNC(=O)c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccnc2C2CCCNC2)cc1,AOVBPFIGBXLZHF-UHFFFAOYSA-N
-rxn:5:177891:223355:223142,CNC(=O)c1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccc(C2CCCNC2)nc1,AURBWTGQTLSXCO-UHFFFAOYSA-N
-rxn:5:177891:223396:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc3c(c2)NCC3)s1)N1CCOCC1,ZFXCSCKBBDQJAF-UHFFFAOYSA-N
-rxn:5:177891:227296:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1ccc(OC2CCC2)nc1,DJJSZEXWDIAZMM-UHFFFAOYSA-N
-rxn:5:177891:227449:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(C2CCOCC2)s1,MROIVTRUGUTKBT-UHFFFAOYSA-N
-rxn:5:177891:227517:227089,O=C(SC1CS(=O)(=O)CC1c1ccncc1C1CCCC1)c1ccccc1-c1ccc(OC2COC2)nc1,VEXKUTHXQSAUIF-UHFFFAOYSA-N
-rxn:5:177891:227654:227626,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOC2)nc1)c1ccccc1-c1ccc(C2OCCO2)nc1,RURNJPMHGOREML-UHFFFAOYSA-N
-rxn:5:177891:227657:223241,O=C(SC1CS(=O)(=O)CC1c1cncc(C2CCNC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,LONOFBGWEHWMOV-UHFFFAOYSA-N
-rxn:5:177891:227657:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCOCC3)s2)s1)N1CCOCC1,NGOUDRNOLJNFTO-UHFFFAOYSA-N
-rxn:5:177891:227657:227295,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,QXXGHWPWZOOYIL-UHFFFAOYSA-N
-rxn:5:177891:228062:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cncc3c2CCCO3)ccc1C1COC1,DVDMSMJYTLPFLD-UHFFFAOYSA-N
-rxn:5:177891:228628:226590,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2CCOC2)nc1)c1ccccc1-c1cc(C2CCC2)cs1,UYDMBOAKFJYCKV-UHFFFAOYSA-N
-rxn:5:177891:228879:226449,CC1(c2ccccc2C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnn2C2COC2)OCCO1,RFBIVRRYYYMVAF-UHFFFAOYSA-N
-rxn:5:177891:228879:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1ccnn1C1COC1,MIQSFWNGPJACPU-UHFFFAOYSA-N
-rxn:5:178117:225831:227710,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCOCC3)c2)cnc1N1CCOCC1,ONOACDLVOYOGSK-UHFFFAOYSA-N
-rxn:5:178117:227505:225831,Cc1cc(-c2ccc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc2OCC2CCOCC2)cnc1N1CCOCC1,ZJDZGMQTPUMLNQ-DHZHZOJOSA-N
-rxn:5:178118:227501:222958,Cc1ccc(-c2ccc(-c3ccc(C=C[N+](=O)[O-])cc3)c(OCC3CCCCO3)c2)cc1C1CCNCC1,TZTYVUOZBVXRLV-UHFFFAOYSA-N
-rxn:5:178120:222983:225616,O=C(c1ccccc1-c1c(OCC2CCOCC2)cccc1-c1cccc(CN2CCC(O)C2)c1)N1CCCC1,KBWCAWRIMADUCK-UHFFFAOYSA-N
-rxn:5:178121:226764:226794,COC(=O)c1c(F)ccc(-c2c(OCC3CCOCC3)cccc2-c2cnc(N3CCSCC3)nc2)c1F,WAERHAHWHRETLP-UHFFFAOYSA-N
-rxn:5:178224:225831:227507,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2)cnc1N1CCOCC1,VYNSIEIAKRJMDI-UHFFFAOYSA-N
-rxn:5:178295:222404:229012,COC(=O)C1(c2cc(-c3sccc3C(C)C)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,XBZSSOFKGZLZQB-UHFFFAOYSA-N
-rxn:5:178295:225886:226189,COC(=O)C1(c2cc(-c3ccc(C4CCCC4)c(F)c3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,XXCWIEKQHDWTQQ-UHFFFAOYSA-N
-rxn:5:178295:225886:227673,COC(=O)C1(c2cc(-c3cccc(C(C)(F)F)c3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,JUKBERUWSYWSPY-UHFFFAOYSA-N
-rxn:5:178295:226154:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,QKWXVYIHXVAEPR-UHFFFAOYSA-N
-rxn:5:178295:227045:227713,COC(=O)C1(c2cc(-c3cc(F)ccc3OC(F)F)ccc2-c2cccc(SC(C)(C)C)c2)CCC(=O)CC1,DTYADDQSPAVOED-UHFFFAOYSA-N
-rxn:5:178295:227076:228562,CCC(C)c1csc(-c2ccc(-c3cc(C(C)CC)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AEDSOAOUSONOKV-UHFFFAOYSA-N
-rxn:5:178295:227106:227942,CCc1ccc(-c2ccc(-c3cc(C4CC4)c(C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,UORGFKOBUOJHTA-UHFFFAOYSA-N
-rxn:5:178295:227280:223343,COC(=O)C1(c2cc(-c3ccc4c(c3)NC(=O)C4)ccc2-c2cc(C#N)ncc2C(C)C)CCC(=O)CC1,MBXQGSSHYSAIBK-UHFFFAOYSA-N
-rxn:5:178295:227297:226910,CCC(C)(C)c1ccc(-c2ccc(-c3cc(CN(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,OFRCQGPBEODEBT-UHFFFAOYSA-N
-rxn:5:178295:227311:226765,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(C(=O)OC)c(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,PMAVLWYYQBPCPR-UHFFFAOYSA-N
-rxn:5:178295:227313:228420,CCC(C)c1cc(-c2ccc(-c3cc(F)c(SC)c(F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,OCOBEXDCFODXNJ-UHFFFAOYSA-N
-rxn:5:178295:227592:228443,COC(=O)C1(c2cc(-c3ccc(F)c(SC)c3F)ccc2-c2cc(F)cc(OC)c2OC)CCC(=O)CC1,RZDSWXGJPPZTDU-UHFFFAOYSA-N
-rxn:5:178295:227706:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(OC)cnc3C(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XUPPAAFWHSLMIF-UHFFFAOYSA-N
-rxn:5:178295:228275:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2cc(C)cc(F)c2OC)CCC(=O)CC1,BFWDZMLEOSEJCQ-UHFFFAOYSA-N
-rxn:5:178295:228562:226328,CCC(C)c1csc(-c2ccc(-c3ccc(C(C)(C)C#N)c(F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NYZPMPKRXIZRIC-UHFFFAOYSA-N
-rxn:5:178295:228703:227209,COC(=O)C1(c2cc(-c3ccc4c(c3)OC(C)(C)O4)ccc2-c2cnn(C3CCC3)c2)CCC(=O)CC1,AZVQOLOERQLMFO-UHFFFAOYSA-N
-rxn:5:178313:226067:226064,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3=CCCCC3)cc2)c(-c2ccc(C3CCCCC3)cc2)c1,LQRMNXZPBSYWQX-UHFFFAOYSA-N
-rxn:5:178313:226176:226191,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccncc2C2CCCCC2)c(-c2cc(C3CCCC3)ccc2F)c1,KUAZNFDVAMGHIS-UHFFFAOYSA-N
-rxn:5:178313:226427:226431,CC1CCN(c2csc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3-c3ccc(N4CCCC4)c(F)c3)c2)CC1,DXTUKJYREQXESA-UHFFFAOYSA-N
-rxn:5:178313:227770:223056,COc1ncc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc(N3CCC(O)CC3)nc2)cc1[N+](=O)[O-],SKOFKLHDDBNHMX-UHFFFAOYSA-N
-rxn:5:178314:223001:226777,Cc1cc(-c2ccc(-c3cc(C4CCCNC4)ccc3F)cc2O[Si](C)(C)C(C)(C)C)cc(OC(F)F)c1F,FUPGHLXYBPNPSH-UHFFFAOYSA-N
-rxn:5:178314:226179:226069,CC(C)(C)[Si](C)(C)Oc1cc(-c2cncc(C3CCCCC3)c2)ccc1-c1cccc(C2CCCCC2)c1,GUOMHRREUPARRF-UHFFFAOYSA-N
-rxn:5:178314:227589:225453,Cc1cc(OC(F)F)cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(O[Si](C)(C)C(C)(C)C)c2)c1,MMDSLFCLDWBQIG-UHFFFAOYSA-N
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-rxn:5:178315:226150:226150,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCC3)c2)cc(-c2cccc(SC3CCCC3)c2)c1,JYYPSUBHOPOBRR-UHFFFAOYSA-N
-rxn:5:178466:223065:223061,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,YZLSKPWYAHFYRZ-UHFFFAOYSA-N
-rxn:5:178466:225633:225976,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCCCCC4)nc3)ccc2c1-c1ccnc(N2CCOCC2)c1F,DIXVFSSUZBYLOR-UHFFFAOYSA-N
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-rxn:5:178467:223062:227657,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCOCC4)s3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,WHCPKBJDDMOWOE-UHFFFAOYSA-N
-rxn:5:178467:223065:228457,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)nc3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,RYGPUDQPVBZJPA-UHFFFAOYSA-N
-rxn:5:178467:223131:223281,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3ccc(N4CCNCC4)cc3)c2OC1,DDZGAGVVMVMEAX-UHFFFAOYSA-N
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-rxn:5:178467:225655:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3cncc(N4CCC(C)CC4)c3)c2OC1,NPHBFIGNKHUBII-UHFFFAOYSA-N
-rxn:5:178467:225834:228320,CCOC(=O)C1=Cc2cc(-c3ccnc(C(=O)OC)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,ORNUUYHDRSLAPN-UHFFFAOYSA-N
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-rxn:5:178467:226382:227292,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(CN(C)C)c3)cc(-c3cnc(C4CCCCC4)nc3)c2OC1,MJCCJJBESNRVDO-UHFFFAOYSA-N
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-rxn:5:178467:227297:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(CN(C)C)ccc3F)c2OC1,IXXPHEJIFXDMEY-UHFFFAOYSA-N
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-rxn:5:178467:227303:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cccc(CN(C)C)c3F)c2OC1,KJHRQSRFVWBPBA-UHFFFAOYSA-N
-rxn:5:178467:228097:225978,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCOCC4)nc3F)cc(-c3cncc(CN(C)C)c3)c2OC1,SDNQPNKHRRUPBI-UHFFFAOYSA-N
-rxn:5:178467:228692:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3ccc(CN(C)C)s3)c2OC1,GSFHDKUTWBBEOR-UHFFFAOYSA-N
-rxn:5:178467:228713:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccn(C(C)(C)C)n3)c2OC1,OEEIAYGCNHAHKS-UHFFFAOYSA-N
-rxn:5:179399:225507:225607,COC(=O)c1cc(C)c(-c2ccc3c(c2)CCC3C(=O)OC)c(-c2ccc(C(C)N3CCCCC3)s2)c1,YCJYJMYNEQLJFZ-UHFFFAOYSA-N
-rxn:5:179401:225805:222996,COc1cc(C(C)=O)cc(-c2ccc(C(C)N3CCOCC3)s2)c1-c1ccc(F)cc1C1CCCNC1,ANDHXWVZVWVPMB-UHFFFAOYSA-N
-rxn:5:179401:225805:223006,COc1cc(C(C)=O)cc(-c2ccc(C(C)N3CCOCC3)s2)c1-c1ccc(F)c(C2CCNCC2)c1,NBFCEFXIYQFDCX-UHFFFAOYSA-N
-rxn:5:179418:225805:226583,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(CN3CCOCC3)s2)s1)N1CCOCC1,UNDWERGZTZTIGL-UHFFFAOYSA-N
-rxn:5:180022:226734:222985,COc1c(-c2ccc(C3CCCNC3)nc2C)ccc(-c2cccc(S(=O)(=O)N(C)C)c2)c1C1OCCO1,DOTUXLUXUDLPSR-UHFFFAOYSA-N
-rxn:5:180097:222404:225926,O=C1NC(=O)C(c2ccc(-c3cc(OC4CCCC4)cc(-c4ccc(S(=O)(=O)N5CCC5)cc4)c3)cc2)N1,REXBXPPQJNSMER-UHFFFAOYSA-N
-rxn:5:180267:225924:225811,CSc1cc(C(C)(C)C)cc(-c2ccc(S(=O)(=O)N(C)C)cc2C)c1-c1ccc(C2(C(F)(F)F)CC2)cc1,FNRLDHCNOCZVGB-UHFFFAOYSA-N
-rxn:5:180297:223056:227506,COc1cc(-c2ccc(N3CCC(O)CC3)nc2)c(C2(C)OCCO2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1,MRWOAOKUGQMWRW-MDWZMJQESA-N
-rxn:5:180422:225831:225932,Cc1cc(-c2ccc(CC3CCCCC3)cc2-c2ccc(N(C)C)c(C(F)(F)F)c2)cnc1N1CCOCC1,IERWYSVIRWRATJ-UHFFFAOYSA-N
-rxn:5:180422:226177:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccnc(C2CCCCC2)c1,MWGLVMZYVFYNNE-UHFFFAOYSA-N
-rxn:5:180506:225603:227349,COc1cc(C)cc(-c2c(-c3cccc(C4(C#N)CCC4)c3F)cc(C(C)(C)C)cc2C2OCCO2)c1OC,IVIFLHMIDUFFSJ-UHFFFAOYSA-N
-rxn:5:180506:225819:225886,CC(C)(C)c1cc(-c2cc(C(F)(F)F)ccc2C2CC2)c(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(C2OCCO2)c1,BOJNVGPIZXOERT-UHFFFAOYSA-N
-rxn:5:180613:223065:223054,COC(=O)c1cc2cc(-c3ccc(C(C)N4CCC(O)C4)s3)cc(-c3ccc(N4CCNCC4)cc3F)c2oc1=O,GEMJDCZSBZOQRI-UHFFFAOYSA-N
-rxn:5:180662:222957:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(C)cc(C4CCCNC4)c3)c2OC1,XCWZAGDHELXSJH-UHFFFAOYSA-N
-rxn:5:180662:222988:227124,COC(=O)C1=Cc2cc(-c3ccc(C(C)(C)C)cc3F)cc(-c3cc(C)nc(C4CCNCC4)c3)c2OC1,AHTWBZAULLFCKW-UHFFFAOYSA-N
-rxn:5:180662:223138:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,CVVRYIHNDPFRAF-UHFFFAOYSA-N
-rxn:5:180662:223138:226188,COC(=O)C1=Cc2cc(-c3cc(C)c([Si](C)(C)C)cc3C)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,OZZJQWUAIQRWTR-UHFFFAOYSA-N
-rxn:5:180662:225683:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccc(C4CCCOC4)nc3C)c2OC1,FQLARIKMIMDDPS-UHFFFAOYSA-N
-rxn:5:180662:226188:223138,COC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cc(C)c([Si](C)(C)C)cc3C)c2OC1,ZFYWDVBCGUFYHT-UHFFFAOYSA-N
-rxn:5:180662:227710:222956,COC(=O)C1=Cc2cc(-c3ccc(C)cc3C3CCCNC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,CJHRLGXIQOFBLJ-UHFFFAOYSA-N
-rxn:5:180662:227710:222957,COC(=O)C1=Cc2cc(-c3cc(C)cc(C4CCCNC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,ZBMQBIPSSOGANL-UHFFFAOYSA-N
-rxn:5:181904:226686:225462,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1cccc(N2CCC(C)CC2)c1,CZVCWDZIXHTIGJ-UHFFFAOYSA-N
-rxn:5:181906:222981:226686,Cc1ccc(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,WPAXEOWYBDFCMI-UHFFFAOYSA-N
-rxn:5:181906:225805:226686,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,TWQVOCCZSQMMPK-UHFFFAOYSA-N
-rxn:5:181907:225581:222985,Cc1cc(-c2ccc(CN3CCOCC3)cc2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,UVNBCAAOUHYSLV-UHFFFAOYSA-N
-rxn:5:181907:226686:225588,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccccc2CN2CCSCC2)c(C2OCCO2)c1,OYVSCDVHVGKUDM-UHFFFAOYSA-N
-rxn:5:181908:222960:222985,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(C3CCCNC3)nc2C)cc(C2CCNCC2)c1,SGEZSRNPXNVLDU-UHFFFAOYSA-N
-rxn:5:181908:226686:225640,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccnc(N3CCCCC3C)c2)cc1C1OCCO1,ALUWKXPVCRBNEB-UHFFFAOYSA-N
-rxn:5:182010:226686:225466,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(N3CCCCC3C)cc2)ccc1C1CCOCC1,IAAYRTOREWAARR-UHFFFAOYSA-N
-rxn:5:182012:222958:226898,Cc1ccc(-c2ccc(-c3cn(S(=O)(=O)N(C)C)nc3C)c(C3CCCOC3)c2)cc1C1CCNCC1,IKAINVUSKINEJS-UHFFFAOYSA-N
-rxn:5:182012:226898:222958,Cc1ccc(-c2ccc(-c3cn(S(=O)(=O)N(C)C)nc3C)cc2C2CCCOC2)cc1C1CCNCC1,FTDQUYTXIQWNNB-UHFFFAOYSA-N
-rxn:5:182012:226898:222959,Cc1cc(-c2ccc(-c3cn(S(=O)(=O)N(C)C)nc3C)cc2C2CCCOC2)ccc1C1CCNCC1,JONCVSMFRIQQPG-UHFFFAOYSA-N
-rxn:5:182013:225880:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cc(C3CCOCC3)ncc2F)cc1C1CCOCC1,XXIPJFQLVJOECU-UHFFFAOYSA-N
-rxn:5:183190:225818:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc2c(c(-c3ccc(C(F)(F)F)cc3C3CC3)c1)CC(C)(C)C2=O,HJJUYYCDPMDNRH-UHFFFAOYSA-N
-rxn:5:183217:223008:226758,COc1ccc(-c2cc3c(c(-c4cc(C5CCNCC5)ccc4F)c2)OC(C)(C)CC3=O)cc1C(F)(F)F,IJPNQJVEGWIWJS-UHFFFAOYSA-N
-rxn:5:183229:225814:225931,Cc1cc(-c2cc(-c3cccc(C4(C(F)(F)F)CC4)c3)cc3c2SCCC3(C)C)cc(S(=O)(=O)N(C)C)c1,KFIDZTZHLMORHD-UHFFFAOYSA-N
-rxn:5:188254:225941:225638,COC(=O)c1cc(-c2cnc(C3CC3)c(C(F)(F)F)c2)c(C#N)cc1-c1ccc(N2CCC(C)CC2)nc1,LZWRLDIWCQUWKU-UHFFFAOYSA-N
-rxn:5:188597:225816:225451,CCOc1ccc(-c2cc(C3CC3)ccc2C(F)(F)F)c([N+](=O)[O-])c1-c1ccc(SC2CCCCC2)cc1,LVAFKJRITRZLBK-UHFFFAOYSA-N
-rxn:5:188932:227449:227449,COC(=O)c1cc(-c2ccc(C3CCOCC3)s2)c(S(N)(=O)=O)c(-c2ccc(C3CCOCC3)s2)c1,GIGCJVKPQGNKLP-UHFFFAOYSA-N
-rxn:5:189079:226654:225982,CCN(C)C(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,UNRWGJDIVJXPIT-UHFFFAOYSA-N
-rxn:5:189080:222987:223000,Cc1nc(C2CCNCC2)ccc1-c1ccc(CC(=O)N(C)C)c(-c2ccc(C3CCCNC3)c(F)c2)c1,HPVQAKNQQAAIJR-UHFFFAOYSA-N
-rxn:5:189080:222987:223004,Cc1nc(C2CCNCC2)ccc1-c1ccc(CC(=O)N(C)C)c(-c2ccc(C3CCNCC3)c(F)c2)c1,ZFAYYHYSADBYGD-UHFFFAOYSA-N
-rxn:5:189080:222987:223006,Cc1nc(C2CCNCC2)ccc1-c1ccc(CC(=O)N(C)C)c(-c2ccc(F)c(C3CCNCC3)c2)c1,NAYZGEWXUDPTEM-UHFFFAOYSA-N
-rxn:5:189207:223065:228306,CC(C)Sc1ncc(-c2ccc(-c3ccc(N4CCNCC4)cc3F)cc2C(=O)ON2C(=O)CCC2=O)cn1,ZSLVBPOXWMAMIU-UHFFFAOYSA-N
-rxn:5:189207:228306:222980,CC(C)Sc1ncc(-c2ccc(-c3ccc(CN4CCNCC4)cc3)c(C(=O)ON3C(=O)CCC3=O)c2)cn1,HGDIXDKBCYFUOP-UHFFFAOYSA-N
-rxn:5:189208:223065:228306,CC(C)Sc1ncc(-c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2C(=O)ON2C(=O)CCC2=O)cn1,PYZBIDZXEKZQGR-UHFFFAOYSA-N
-rxn:5:189208:226968:225804,CC1(C)Cc2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccc(C(=O)N5CCC5)c(F)c4)c3)cc2O1,DKSMOJBSRQWQFR-UHFFFAOYSA-N
-rxn:5:189208:228332:226085,COc1cc(SC)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc4c(c3)CCC(C)(C)O4)c2)cn1,LILQLSOGPBHTDO-UHFFFAOYSA-N
-rxn:5:189209:223137:227985,CC(C)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cncc(C4CCCNC4)c3)c2)ccc1F,KSZBWGCDDVQKPV-UHFFFAOYSA-N
-rxn:5:189209:225602:229080,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cnc(C5CC5)s4)c3)c2)CCC1,BHTGXLHSBCAXHK-UHFFFAOYSA-N
-rxn:5:189209:226331:228236,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccnc(F)c4C4CC4)c3)c(F)c2)CC1,DQDCCIAOPPPCGV-UHFFFAOYSA-N
-rxn:5:189209:228306:226412,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(F)cc(N4CCCC4)c3)c2)cn1,SRTGOHSSCKNEKL-UHFFFAOYSA-N
-rxn:5:189210:223065:228306,CC(C)Sc1ncc(-c2cccc(-c3ccc(N4CCNCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)cn1,DMEJXYQXVCBPID-UHFFFAOYSA-N
-rxn:5:189210:227294:227574,COc1c(F)ccc(-c2cccc(-c3cc(C)cnc3OC(C)C)c2C(=O)ON2C(=O)CCC2=O)c1OC,POYTZQNMFUZQBY-UHFFFAOYSA-N
-rxn:5:189211:223131:228306,CC(C)Sc1ncc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccc(N3CCNCC3)cc2)cn1,REUZABVVMLPDBB-UHFFFAOYSA-N
-rxn:5:189321:225805:226679,CC(c1ccc(-c2ccc(-c3cnc(N4CCCC4)cc3F)c(C(=O)OC(C)(C)C)n2)s1)N1CCOCC1,SPIAWKKGHZNHBU-UHFFFAOYSA-N
-rxn:5:189321:225976:225982,CC(C)(C)OC(=O)c1nc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cnc(N2CCOCC2)cc1F,IEAJZRJEDKZTQG-UHFFFAOYSA-N
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-rxn:5:189662:227710:225621,Cc1cc(-c2ncc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCOCC2)ccc1OC1CCOC1,HYFQOVZUWRNAMZ-UHFFFAOYSA-N
-rxn:5:189665:225515:227710,CC1(C)COc2cccc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)c2OC1,OAWWDKZKNPLPQP-UHFFFAOYSA-N
-rxn:5:189718:226324:222415,NS(=O)(=O)c1cc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2cccnc2OC2CCCC2)ccc1F,OFFGTGZRZCBTCL-UHFFFAOYSA-N
-rxn:5:189829:226794:227358,CCOc1cc(C)cc(-c2cc(C(=O)N3CCCC3)cc(-c3cnc(N4CCSCC4)nc3)c2OC)c1F,QQBUFUBAXIBJMV-UHFFFAOYSA-N
-rxn:5:189908:225588:227783,O=[N+]([O-])c1cc(-c2ncc(-c3ccccc3CN3CCSCC3)cc2OCC2CCCCC2)c(F)cc1F,LALKFVNPWNYDIX-UHFFFAOYSA-N
-rxn:5:189910:227803:223148,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccccc2C2CNCCO2)c(CCN2CCOCC2)c1,SMJXWBIEFLEOOX-UHFFFAOYSA-N
-rxn:5:189952:223062:226583,COc1c(-c2ccc(CN3CCOCC3)s2)cc(C(=O)N2CCOCC2)cc1-c1cnc(C2CCNCC2)cc1F,ZCAYYADILACPAD-UHFFFAOYSA-N
-rxn:5:189952:223191:228972,CNS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(C(F)(F)F)cs3)c2OC)cc1F,YWHQPZOVXBANKU-UHFFFAOYSA-N
-rxn:5:189952:226679:226573,COc1c(-c2cnc(N3CCCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1cnc(OC(C)(C)C)nc1C,SDYGNJVCOAGHKW-UHFFFAOYSA-N
-rxn:5:189952:227968:226366,COc1c(-c2ccnc(N3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnccc1C1CCC1,RQYIUTKQABBDES-UHFFFAOYSA-N
-rxn:5:190000:227942:225454,CCc1ccc(-c2cc(-c3ccc(C4=CCN(C)CC4)cc3)ccc2CC(=O)N2CCCCC2)c(OC)c1,JWUNOOXOZKQUEX-UHFFFAOYSA-N
-rxn:5:190001:225453:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc(SC3CCCCC3)c2)c1,PIGCKHLZSKGNAW-UHFFFAOYSA-N
-rxn:5:190131:226794:227358,CCOc1cc(C)cc(-c2cc(C(=O)N3CCCCC3)cc(-c3cnc(N4CCSCC4)nc3)c2OC)c1F,XMXSKACVQLSDBC-UHFFFAOYSA-N
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-rxn:5:190194:226037:228677,COc1c(C(F)(F)F)ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2cnn(CC(C)C)c2)c1F,UUKVCPUNKXPROP-UHFFFAOYSA-N
-rxn:5:190194:227371:225499,COc1c(C)ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3CCCCC3)cc2F)c1OC,NKDYEBNUMVMNRO-UHFFFAOYSA-N
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-rxn:5:190199:223065:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(N3CCNCC3)cc2F)c(CN(C)C2CCOCC2)c1,QCXZQWSRRUXUCD-UHFFFAOYSA-N
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-rxn:5:190201:226959:226782,COC(=O)c1cc(F)c(-c2ccc(-c3ccc4c(c3)CC(C)(C)O4)cc2CCN2CCOC(C)C2)cc1F,MHPQGZSCKXRQJG-UHFFFAOYSA-N
-rxn:5:190264:227525:227052,CCc1cnc(C(F)F)cc1-c1cc(CC(=O)N2CCC(C)CC2)ccc1-c1ccc(SC(C)(C)C)cc1,GVIHEAKNVWHPGD-UHFFFAOYSA-N
-rxn:5:190299:226594:227065,COc1ccc(-c2c(F)cc(OC(C)C)cc2F)cc1C=C1SC(=O)N(c2ccc(-c3cccc(C(=O)C(C)C)c3)cc2)C1=O,IDDYKQMWHMORNA-UHFFFAOYSA-N
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-rxn:5:190337:227045:227935,CCc1cc(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3cccc(SC(C)(C)C)c3)c2OC)ccc1OC,PJVPDWLIMAESAJ-UHFFFAOYSA-N
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-rxn:5:190484:227076:228967,CCC(C)c1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cn(C)nc4C(F)F)S(=O)(=O)CC3)c2)c1,ZIUKMHKMXDLHHU-UHFFFAOYSA-N
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-rxn:5:190740:222984:223056,CCOC(=O)c1cnc2c(C)cc(-c3ccc(CN4CCC(O)C4)cc3)cc2c1-c1ccc(N2CCC(O)CC2)nc1,XRTIHHADPVEABO-UHFFFAOYSA-N
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-rxn:5:190740:225655:223006,CCOC(=O)c1cnc2c(C)cc(-c3cncc(N4CCC(C)CC4)c3)cc2c1-c1ccc(F)c(C2CCNCC2)c1,PMKTWGGIWGQMLU-UHFFFAOYSA-N
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-rxn:5:190740:225806:225806,CCOC(=O)c1cnc2c(C)cc(-c3cnc(OC4CCCC4)cc3F)cc2c1-c1cnc(OC2CCCC2)cc1F,NDTCUSWHFIYGMT-UHFFFAOYSA-N
-rxn:5:190740:226583:222996,CCOC(=O)c1cnc2c(C)cc(-c3ccc(CN4CCOCC4)s3)cc2c1-c1ccc(F)cc1C1CCCNC1,OIAOBIYAJFIRLQ-UHFFFAOYSA-N
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-rxn:5:190741:223064:226654,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1csc(N2CCC(C)CC2)n1,FJWTWLXTQPKHCR-UHFFFAOYSA-N
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-rxn:5:190741:225655:223002,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)cc(C)cc2c1-c1ccc(C2CCNCC2)cc1F,UMRHHKHPEHELQZ-UHFFFAOYSA-N
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-rxn:5:190741:225976:225600,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cccnc1OC1CCCCC1,BURZHIACYTYRKT-UHFFFAOYSA-N
-rxn:5:190741:225982:225982,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1cnc(N2CCOCC2)cc1F,WFYVDDCXTNUXNK-UHFFFAOYSA-N
-rxn:5:190741:226426:225593,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(C)CC4)s3)cc(C)cc2c1-c1cc(F)cc(CN2CCCC2)c1,XBQVWEKBKKFKAL-UHFFFAOYSA-N
-rxn:5:190741:226426:225679,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(C)CC4)s3)cc(C)cc2c1-c1ccc(N2CCCCC2)cc1F,XCVWGLJBPJQUIC-UHFFFAOYSA-N
-rxn:5:190741:226429:225833,CCOC(=O)c1cnc2c(-c3ccc(N4CCCC(C)C4)s3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,YFVBGRLFCJUJOY-UHFFFAOYSA-N
-rxn:5:190741:226583:222996,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)cc(C)cc2c1-c1ccc(F)cc1C1CCCNC1,VMRVJNLPKDHDML-UHFFFAOYSA-N
-rxn:5:190741:226583:223000,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)cc(C)cc2c1-c1ccc(C2CCCNC2)c(F)c1,BJMGVCQGZBTPRL-UHFFFAOYSA-N
-rxn:5:190741:226583:223004,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)cc(C)cc2c1-c1ccc(C2CCNCC2)c(F)c1,BEJHIDDIPYHAOH-UHFFFAOYSA-N
-rxn:5:190741:226583:223006,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)s3)cc(C)cc2c1-c1ccc(F)c(C2CCNCC2)c1,HELXGIMMTWRWIA-UHFFFAOYSA-N
-rxn:5:190742:222983:223056,CCOC(=O)c1cnc2c(C)ccc(-c3cccc(CN4CCC(O)C4)c3)c2c1-c1ccc(N2CCC(O)CC2)nc1,WWKZEAPITIMXGC-UHFFFAOYSA-N
-rxn:5:190742:222984:223056,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCC(O)C4)cc3)c2c1-c1ccc(N2CCC(O)CC2)nc1,GNBQNTHUZVMMRY-UHFFFAOYSA-N
-rxn:5:190742:223064:225655,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1cncc(N2CCC(C)CC2)c1,XUAOJTKLRRTXGG-UHFFFAOYSA-N
-rxn:5:190742:225652:223004,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCCC(C)C4)c3)c2c1-c1ccc(C2CCNCC2)c(F)c1,ORYVIHIUHNXUHS-UHFFFAOYSA-N
-rxn:5:190742:225652:223006,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCCC(C)C4)c3)c2c1-c1ccc(F)c(C2CCNCC2)c1,KBAIPMXAMVUSSW-UHFFFAOYSA-N
-rxn:5:190742:225655:223002,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccc(C2CCNCC2)cc1F,INOSYTNWHVFWNG-UHFFFAOYSA-N
-rxn:5:190742:225655:223004,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccc(C2CCNCC2)c(F)c1,PRTVBNSKCOXMLW-UHFFFAOYSA-N
-rxn:5:190742:226583:222996,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(F)cc1C1CCCNC1,STBBWJPBZCIDRY-UHFFFAOYSA-N
-rxn:5:190742:226583:223001,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1cc(C2CCCNC2)ccc1F,XGVLPEHBLGPXOI-UHFFFAOYSA-N
-rxn:5:190742:226583:223002,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(C2CCNCC2)cc1F,CGJDDLYAIFNTQI-UHFFFAOYSA-N
-rxn:5:190742:226583:223004,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(C2CCNCC2)c(F)c1,QENPNIAGBSYCSM-UHFFFAOYSA-N
-rxn:5:190742:226583:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(F)c(C2CCNCC2)c1,SQHAWKKUZKUQEJ-UHFFFAOYSA-N
-rxn:5:190742:226583:223008,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1cc(C2CCNCC2)ccc1F,AFYZQPQLZPHJBI-UHFFFAOYSA-N
-rxn:5:190743:222983:223056,CCOC(=O)c1cnc2c(C)c(-c3cccc(CN4CCC(O)C4)c3)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,BTOGBAUKCASDBD-UHFFFAOYSA-N
-rxn:5:190743:222984:223056,CCOC(=O)c1cnc2c(C)c(-c3ccc(CN4CCC(O)C4)cc3)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,UJTQDPWTYKBEAT-UHFFFAOYSA-N
-rxn:5:190743:223064:225833,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,OLLRSEKZULHKTE-UHFFFAOYSA-N
-rxn:5:190743:225652:223004,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCCC(C)C4)c3)ccc2c1-c1ccc(C2CCNCC2)c(F)c1,OGBXALJTUIJWIJ-UHFFFAOYSA-N
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-rxn:5:190833:227028:227043,Cc1cc(OC(C)C)ccc1-c1ccc(-c2cccc(C3(C#N)CC3)c2)c2c1CN(C(=O)OC(C)(C)C)C2=O,CGTBCSSPYPETQQ-UHFFFAOYSA-N
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-rxn:5:191049:226395:223378,COc1cc(N2Cc3cc(-c4cncc(N5CCCCC5)c4)ccc3OCC2=O)c(OC)cc1-c1cnc2c(c1)NCCO2,JGKJQIAIFXPEQA-UHFFFAOYSA-N
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-rxn:5:191049:227339:223062,COC(=O)c1cc(C)ccc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3cnc(C4CCNCC4)cc3F)cc1OC)C(=O)CO2,SFDSOTMRRKHARK-UHFFFAOYSA-N
-rxn:5:191049:227351:223062,COC(=O)c1c(C)cccc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3cnc(C4CCNCC4)cc3F)cc1OC)C(=O)CO2,FGTCXVGWBIVIQV-UHFFFAOYSA-N
-rxn:5:191049:227352:223062,COC(=O)c1ccc(C)cc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3cnc(C4CCNCC4)cc3F)cc1OC)C(=O)CO2,SKZKVBBEAWMFLF-UHFFFAOYSA-N
-rxn:5:191049:227358:226794,CCOc1cc(C)cc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cnc(N5CCSCC5)nc4)cc2OC)C(=O)CO3)c1F,HEBUBXFXLRYPMH-UHFFFAOYSA-N
-rxn:5:191049:227359:223061,COC(=O)c1cccc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cc(C5CCNCC5)ncc4F)cc2OC)C(=O)CO3)c1C,YFMBHSLRKWQXEK-UHFFFAOYSA-N
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-rxn:5:191049:228149:223062,COC(=O)c1ccccc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3cnc(C4CCNCC4)cc3F)cc1OC)C(=O)CO2,VJHKGFCRYXEMGZ-UHFFFAOYSA-N
-rxn:5:191049:228149:223064,COC(=O)c1ccccc1-c1ccc2c(c1)CN(c1cc(OC)c(-c3ccc(C4CCNCC4)nc3F)cc1OC)C(=O)CO2,GSBFJUIONZBFIW-UHFFFAOYSA-N
-rxn:5:191049:228158:226794,CCOc1cc(F)cc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cnc(N5CCSCC5)nc4)cc2OC)C(=O)CO3)c1,JXGGKNFWRCSFOF-UHFFFAOYSA-N
-rxn:5:191049:228171:226794,CCOc1ccc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cnc(N5CCSCC5)nc4)cc2OC)C(=O)CO3)cc1F,OWUWOOCTPWVGLB-UHFFFAOYSA-N
-rxn:5:191049:228172:226794,CCOc1cccc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cnc(N5CCSCC5)nc4)cc2OC)C(=O)CO3)c1F,VSNCUOLMVOGLHO-UHFFFAOYSA-N
-rxn:5:191049:228211:226887,COc1cc(N2Cc3cc(-c4cc(N5CCCC5)cs4)ccc3OCC2=O)c(OC)cc1-c1ccc(F)c(C(F)(F)F)c1F,SMPAGNQMNXUHFV-UHFFFAOYSA-N
-rxn:5:191049:228323:223294,CCOc1nccc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4csc(N5CCNCC5)n4)cc2OC)C(=O)CO3)c1F,PEXUPAVQTPXUJK-UHFFFAOYSA-N
-rxn:5:191049:228455:223065,COc1ncc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(N5CCNCC5)cc4F)cc2OC)C(=O)CO3)c(OC)n1,WHSGMLSZKPQCNR-UHFFFAOYSA-N
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-rxn:5:191049:228864:225611,CCOc1ncc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(N5CCCC5)cc4OC)cc2OC)C(=O)CO3)cn1,YPDJCPMZZSHQLJ-UHFFFAOYSA-N
-rxn:5:193157:225407:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCC2)c(-c2ccc(C3CCCCCC3)cc2)c1,SAMHPYYNXKTRBQ-UHFFFAOYSA-N
-rxn:5:193226:226571:223006,O=C(c1ccc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,FAKNSCBWIINIFT-UHFFFAOYSA-N
-rxn:5:193231:223173:225879,O=C(c1ccc(-c2ccc3c(c2)C(O)CS3(=O)=O)cc1-c1ccc(N2CCOCC2)cc1F)N1CCSCC1,CVCQHYKEVOJRBE-UHFFFAOYSA-N
-rxn:5:193337:226085:225821,CC1(C)CCc2cc(-c3ccc(-c4ccc(C5CC5)c(C(F)(F)F)c4)c(CN4CCOCC4)c3)ccc2O1,MBHWKTIJPOOEJA-UHFFFAOYSA-N
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-rxn:5:193382:222960:226425,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCCCC4C)s3)c2)cc(C2CCNCC2)c1,DIDWYBOFDAHTSD-UHFFFAOYSA-N
-rxn:5:193382:225943:223201,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccccc3C3CCNC3)c2)s1)N1CCOCC1,PMQNWDNLQIGJAK-UHFFFAOYSA-N
-rxn:5:193382:226335:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2ccc(C3COC3)c(C#N)c2)ccc1S(=O)(=O)N1CCOCC1,XCDCNXQFEJNUKN-UHFFFAOYSA-N
-rxn:5:193382:226335:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(C3COC3)c(C#N)c2)ccc1S(=O)(=O)N1CCOCC1,RBOFPXZGFOLRBI-UHFFFAOYSA-N
-rxn:5:193382:227613:223295,CS(=O)(=O)Nc1cncc(-c2cc(-c3cnn(C4CCOCC4)c3)ccc2S(=O)(=O)N2CCOCC2)c1,MWPZZRAEDYVRDA-UHFFFAOYSA-N
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-rxn:5:193382:227825:222956,Cc1ccc(-c2cc(-c3cccc(C4CCC4)c3)ccc2S(=O)(=O)N2CCOCC2)c(C2CCCNC2)c1,MXKZBVZTILWJND-UHFFFAOYSA-N
-rxn:5:193461:225499:226452,O=C(c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1-c1ccc(C2OCCCO2)cc1)N1CCCCC1,ALQDNSOSSJIGRU-UHFFFAOYSA-N
-rxn:5:193462:225652:226980,CC1CCCN(c2cncc(-c3ccc(-c4cccc5c4C(=O)CCC5)c(CN4CCC(=O)CC4)c3)c2)C1,QXUXYSSQSWXVDG-UHFFFAOYSA-N
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-rxn:5:193464:227045:225499,CC(C)(C)Sc1cccc(-c2ccc(C3(C#N)CCCCC3)c(-c3ccc(C4CCCCC4)cc3F)c2)c1,XOEXDVRRYZIGQI-UHFFFAOYSA-N
-rxn:5:193465:222957:222989,Cc1cc(-c2c(C(=O)N3CCC[C@@H]3C)cccc2-c2ccc(N3CCNCC3)cc2C)cc(C2CCCNC2)c1,SGRXYTOUAKUDRM-QBHOUYDASA-N
-rxn:5:193506:222958:227827,Cc1ccc(C2CC2)cc1-c1cc(-c2ccc(C)c(C3CCNCC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,GKDAHIIQAJQPHB-UHFFFAOYSA-N
-rxn:5:193506:222958:227832,Cc1cc(C2CC2)ccc1-c1cc(-c2ccc(C)c(C3CCNCC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,KXNCSXZIRZTPLA-UHFFFAOYSA-N
-rxn:5:193506:222958:228521,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(C)c(C)c(C)c3)c2)cc1C1CCNCC1,AZEIBBUCJRBQJA-UHFFFAOYSA-N
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-rxn:5:193506:222959:228521,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(C)c(C)c(C)c3)c2)ccc1C1CCNCC1,NGZHPLTZSLDECZ-UHFFFAOYSA-N
-rxn:5:193506:223141:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2cncc(C3CCNCC3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,ODPXXGISFQPRAS-UHFFFAOYSA-N
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-rxn:5:197876:225815:226199,CC(C)n1ncc2cc(-c3cc4c(cc3-c3ccc(C5CC5)cc3C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,YJZMVQNNFDEJTE-UHFFFAOYSA-N
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-rxn:5:197876:226062:226191,CC(C)c1cc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,UQPCPMDJHMQWMA-UHFFFAOYSA-N
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-rxn:5:197876:226188:226191,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1cc(C3CCCC3)ccc1F)C(=O)N(C(C)(C)C)S2(=O)=O,AORPBZMBBJZJTH-UHFFFAOYSA-N
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-rxn:5:197876:226191:228145,COc1ccc(C#N)c(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LMTMCURTLDOPMP-UHFFFAOYSA-N
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-rxn:5:197876:226326:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cccc(C4(C#N)CC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HLFHFDOOFKROJI-UHFFFAOYSA-N
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-rxn:5:197876:226432:227338,CC(C)Oc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YARIACPMOJZYLP-UHFFFAOYSA-N
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-rxn:5:197876:226437:227660,Cc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C3CCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,QLKCXCDUDSWNRI-UHFFFAOYSA-N
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-rxn:5:197876:226441:225439,CC(c1cccc(-c2cc3c(cc2-c2ccc(N4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N1CCCC1,JHVSOXNVUDGNCU-UHFFFAOYSA-N
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-rxn:5:197876:226742:228388,Cc1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C#N)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,RNOFXQQSGQBUSW-UHFFFAOYSA-N
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-rxn:5:197876:226768:225436,CSc1ccc(-c2cc3c(cc2-c2ccc(CN4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,OHTFNOAENMDFIT-UHFFFAOYSA-N
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-rxn:5:197876:227078:227045,COc1ccc(C2CC2)c(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BGKRKLZVGVREIG-UHFFFAOYSA-N
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-rxn:5:197876:227303:226059,CC(C)c1ccc(-c2cc3c(cc2-c2cccc(CN(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,MMXVKUIHDYONMK-UHFFFAOYSA-N
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-rxn:5:197876:227338:226918,CC(C)Oc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4=CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,UMWLUBIZSJYTFY-UHFFFAOYSA-N
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-rxn:5:197876:227515:227060,Cc1ccc(-c2cc3c(cc2-c2cc(OC(C)C)cnc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1OC(C)C,SKBKMKWYHKGWQD-UHFFFAOYSA-N
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-rxn:5:197876:227561:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(OC)c(OC)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,GWGMIOUNJLMLPL-UHFFFAOYSA-N
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-rxn:5:197876:227830:226144,CC1(c2ccc(-c3cc4c(cc3-c3ccc(C#C[Si](C)(C)C)cc3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,MVSXHWWYOWCTPY-UHFFFAOYSA-N
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-rxn:4:180855:223583,COC(=O)c1ccc2c(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cn(C(=O)OC(C)(C)C)c2c1,LEHJWNBYALOWJY-UHFFFAOYSA-N
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-rxn:4:183673:224627,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)N3CC(N(C)C)C3)cc2)cc1OC(F)(F)F,VWJKEOQDLSIUKT-UHFFFAOYSA-N
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-rxn:4:183829:222629,CC(C)(C)OC(=O)N(Cc1cc(-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)ccc1F)C1CC1,DWFPYSYTGBHQMZ-UHFFFAOYSA-N
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-rxn:4:183839:224595,COC(=O)C1CCCCN1C(=O)COc1ccc(-c2ccc(N3CCCC(C)C3)cc2OC)cc1,VSNPRXFECDHBLZ-UHFFFAOYSA-N
-rxn:4:183875:223039,CC(C)NC(=O)c1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(Cl)c2)ccc1F,KFPXFQAECJNDET-UHFFFAOYSA-N
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-rxn:4:183884:223490,Cc1ccc(-c2cccc(F)c2OCC2CN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PFAHQAXCRQOMTP-UHFFFAOYSA-N
-rxn:4:183901:223743,CCN(Cc1cc(-c2ccc(C)c(OCCCN3CCC(C)CC3)c2)cc(C)c1F)C(=O)OC(C)(C)C,ADPSWIMDTBUGFE-UHFFFAOYSA-N
-rxn:4:183912:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1ccc(OC(F)(F)F)cc1OCCN1CCC(C)CC1,PHCXKVVKJSURMS-UHFFFAOYSA-N
-rxn:4:183913:223274,CNC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2C)c(Cl)c1,UUILVEJKDLDOOD-UHFFFAOYSA-N
-rxn:4:183922:224100,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1-c1ccccc1OCCN1CCC(C)CC1,TWRFCKDKOXPNJB-UHFFFAOYSA-N
-rxn:4:183922:224790,CCCOc1cc(-c2cc(N(C(C)=O)S(=O)(=O)c3ccc(C)cc3)ccc2OC(C)=O)ccc1OC(F)(F)F,ROTZAHYPQOLAKT-UHFFFAOYSA-N
-rxn:4:183938:225928,Cc1ccc(-c2cc(C)c(F)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)cc1S(=O)(=O)N(C)C,LMKKXCBVSMYKQQ-UHFFFAOYSA-N
-rxn:4:183963:224501,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccc(OCC2CCCCN2C)cc1,QIQXCXREVYSTQT-UHFFFAOYSA-N
-rxn:4:183983:223092,Cc1ccc(-c2cccc(NS(=O)(=O)N(C)C)c2)cc1CN(C(=O)OC(C)(C)C)C(C)C,TVJDRSRZGMOEPM-UHFFFAOYSA-N
-rxn:4:183986:223080,Cc1cc(-c2ccc(S(=O)(=O)NC(C)C)cc2)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,UNHUWTCRGQWVNI-UHFFFAOYSA-N
-rxn:4:183987:223823,COc1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C=NOC(=O)c1ccc(C(C)(C)C)cc1,KRNIONAOCRODON-UHFFFAOYSA-N
-rxn:4:183993:222815,Cc1ccc(-c2ccc(S(=O)(=O)NC(=O)C(C)C)cc2)cc1CN(C(=O)OC(C)(C)C)C1CCC1,SDJQEMUYVMFWIA-UHFFFAOYSA-N
-rxn:4:184042:226023,O=C(c1cc(-c2ccc(Cl)c(OCC(F)F)c2F)ccc1Cl)N1CCC(COCc2ccc(F)cc2)CC1,GZZMSUOTLORHFI-UHFFFAOYSA-N
-rxn:4:184046:222869,COc1cccc(C(=O)N(Cc2cccc(-c3ccc(F)c(C(=O)NCC(C)C)c3)c2)C2CCS(=O)(=O)C2)c1,PMQZXGYKIIPMHM-UHFFFAOYSA-N
-rxn:4:184054:223141,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3cncc(C4CCNCC4)c3)cc2)CC1,GZUCMVJXUUJGBX-UHFFFAOYSA-N
-rxn:4:184056:226908,CCCCCc1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2OC)cc1,ZYMJGZSGWDOWLZ-UHFFFAOYSA-N
-rxn:4:184063:225180,Cc1cc(-c2ccc(C(=O)N3CCCC3)cc2Cl)ccc1CN(C(=O)OC(C)(C)C)C1CCCC1,SRGXUKSJNLIPDX-UHFFFAOYSA-N
-rxn:4:184067:227542,COC(=O)c1cc(F)ccc1-c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(F)(F)CC2)cc1,QZWIPYILCOTXMP-UHFFFAOYSA-N
-rxn:4:184084:224257,Cc1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1-c1cc(C(=O)N2CCCCC2C)ccc1Cl,ZUZSMZUHFNXOJL-UHFFFAOYSA-N
-rxn:4:184093:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CCS(=O)(=O)C3)cc2)c1,IIULAFPSSSBRHN-UHFFFAOYSA-N
-rxn:4:184096:225445,CC1(C)CCC(N(Cc2ccc(-c3ccccc3OC3CCCCC3)cc2)C(=O)OC(C)(C)C)CC1,FXHBOBYQJVXSNI-UHFFFAOYSA-N
-rxn:4:184096:228420,CSc1c(F)cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1F,AJKJYEXZGGOGEJ-UHFFFAOYSA-N
-rxn:4:184098:222829,CNS(=O)(=O)c1ccc(-c2cccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)c2)c(C(F)(F)F)c1,HDAYNRIXMPCWEN-UHFFFAOYSA-N
-rxn:4:184099:224600,Cc1ccc(-c2cc(F)c(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)cc2F)cc1,PIRNKULKXZRXHL-UHFFFAOYSA-N
-rxn:4:184099:226576,CC(c1ccc(-c2ccc(F)c(C(=O)N(C)C)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,SXFLICJVPJRCAE-UHFFFAOYSA-N
-rxn:4:184099:227812,CC(C)Cc1cccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,KYXFHBKFJWIZGB-UHFFFAOYSA-N
-rxn:4:184099:229184,CC(c1ccc(-c2cnc(F)c(Cl)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,KRDFCRMNAHTYFH-UHFFFAOYSA-N
-rxn:4:184103:222522,CCCCOC(=O)CN1C(=O)C(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)N4CCC(O)CC4)c3)ccc21,HJLCAHYVQMADJH-UHFFFAOYSA-N
-rxn:4:184169:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn(C(=O)OC(C)(C)C)c4cccc(OCc5ccccc5)c34)cc2F)CC1,NVIQCKVXGBEXIF-UHFFFAOYSA-N
-rxn:4:184175:222854,COc1ccc(C2CCCNC2)cc1-c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OCCC(C)C)cc1,LCIDWSYMCMUIKO-UHFFFAOYSA-N
-rxn:4:184181:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)cc1,OYPWCDMRNLQZJT-UHFFFAOYSA-N
-rxn:4:184181:223891,CC(C)N(Cc1ccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)c2ccccc12)C(=O)OC(C)(C)C,IERGUYOLIUOZLP-UHFFFAOYSA-N
-rxn:4:184184:222880,CCOC(=O)c1cc2cc(-c3cc(Cl)ccc3NC(=O)C(C)(C)C)ccc2n1CCC1CCCCC1,ITHCEIZSAHELFC-UHFFFAOYSA-N
-rxn:4:184188:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC3)c3ccccc23)cc1,UBVVRVZSFPVXNZ-UHFFFAOYSA-N
-rxn:4:184222:227229,CCOc1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)c3ccccc23)ccc1C#N,NYYNSFCZIIHDCH-UHFFFAOYSA-N
-rxn:4:184247:223164,Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(-c2cc(F)c(F)c(NC4CC4)c2)cc1)N(CCCOC(C)C)C3=O,LPMZAEBFHBHRTJ-UHFFFAOYSA-N
-rxn:4:184390:224375,COC(=O)Cc1ccc(C(F)F)c(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)c1C#N,HOWAAGHNSDNMHN-UHFFFAOYSA-N
-rxn:4:184435:222521,CCOC(=O)c1c(C#N)ccc(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)c1C(F)F,FPVUNSBOMBYNNE-UHFFFAOYSA-N
-rxn:4:184518:222540,COC(=O)CCc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1[N+](=O)[O-],BCWMBCQWDRJIDQ-UHFFFAOYSA-N
-rxn:4:184553:223896,COC(=O)C(C(=O)OC)c1ccc(-c2cccc(OC)c2C(=O)N(C(C)C)C(C)C)cn1,XWFNRPVEHMICGM-UHFFFAOYSA-N
-rxn:4:184763:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)OC)n1C(=O)OC(C)(C)C,SALVFPQVZMIIGX-UHFFFAOYSA-N
-rxn:4:184768:222681,CN(Cc1ccc(-c2cccc(CNC(=O)OC(C)(C)C)c2F)cc1OC(F)(F)F)C1CC1,NEKKZBNEFCVBGD-UHFFFAOYSA-N
-rxn:4:184827:223557,CCN(CC)C(=O)c1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c(OC)c1,OKZKUCQFPXZXRB-UHFFFAOYSA-N
-rxn:4:184977:224834,CC(C)N(Cc1cc(F)cc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)c1)CC1CC1,FGZHPXSIAUPQSC-UHFFFAOYSA-N
-rxn:4:184981:223641,CCc1cc2c(cc1F)cc(-c1ccccc1C(=O)OCCN1CCCCC1)n2C(=O)OC(C)(C)C,DMQKZCNDFKXDJV-UHFFFAOYSA-N
-rxn:4:185002:226844,O=C(COc1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)c1)N1CCCC(C(F)(F)F)C1,GNXNFYVZUNQDSM-UHFFFAOYSA-N
-rxn:4:185002:226896,COCn1cc(-c2cccc(OCC(=O)N3CCCC(C(F)(F)F)C3)c2)c(C(F)(F)F)n1,ZJDFNPCJMQTINI-UHFFFAOYSA-N
-rxn:4:185058:226844,CC(C)(C)OC(=O)N1CC(Oc2cc(F)c(F)cc2-c2ccnc(C(=O)C(F)(F)F)c2)C1,AZXNLUOJLUKAII-UHFFFAOYSA-N
-rxn:4:185102:224411,CC(C)CN(C(=O)c1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2C(F)(F)F)o1)C1CCS(=O)(=O)C1,MCGKQIOOMJAAEI-UHFFFAOYSA-N
-rxn:4:185102:226589,CC(C)CN(C(=O)c1ccc(-c2cc(C(F)F)ncc2C(C)C)o1)C1CCS(=O)(=O)C1,OIINALBWHJMWDS-UHFFFAOYSA-N
-rxn:4:185113:226031,O=C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(F)F)cc1)N1CCCC(C(F)(F)F)C1,VMBPRXAZRIWPEC-UHFFFAOYSA-N
-rxn:4:185115:224893,CC(C)(C)c1cc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCC(C(F)(F)F)C2)cc(C(C)(C)C)n1,RYQMBGVKXSFNQZ-UHFFFAOYSA-N
-rxn:4:185140:222604,COC(=O)C1CCCN(CCc2ccc(F)c(-c3ccc(OC)c(S(=O)(=O)NC4CCCC4)c3)c2)C1,OBKFNMVGGPNLLY-UHFFFAOYSA-N
-rxn:4:185143:223641,CCc1cc2c(cc1F)cc(-c1ccc(N(C(=O)CC(C)C)C3C=CS(=O)(=O)C3)cc1)n2C(=O)OC(C)(C)C,HEYNHKROCMVVST-UHFFFAOYSA-N
-rxn:4:185147:226287,CC(C)COc1cc(Cl)ccc1-c1ccccc1S(=O)(=O)N1CC(S(=O)(=O)CC(C)C)C1,MEVYRHCHXXTPIC-UHFFFAOYSA-N
-rxn:4:185160:228453,COC(=O)Cn1cc(-c2ccc(C(=O)OC)cc2CN2CCCC(C(F)(F)F)C2)cn1,MFOLAUOXOBWTMZ-UHFFFAOYSA-N
-rxn:4:185181:223698,COc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cnc1CO[Si](C)(C)C(C)(C)C,AAKQDGXHWYNWAU-UHFFFAOYSA-N
-rxn:4:185197:225116,CCCCOc1c(F)c(C)cc(-c2ccc(C)c(OC3CN(C(=O)OC(C)(C)C)C3)c2)c1F,WYNOVTAKYCYRNH-UHFFFAOYSA-N
-rxn:4:185200:224485,COC(=O)c1ccc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c(CN2CCC(OC)CC2)c1,KMPXQHMGCWBBNQ-UHFFFAOYSA-N
-rxn:4:185206:222846,COc1cc(-c2cc(C3CCCNC3)ccc2C#N)cc(C2CN(C(=O)OC(C)(C)C)C2)c1,KJXWLXDQEIRBFJ-UHFFFAOYSA-N
-rxn:4:185226:224684,COc1cc(-c2ccc(C(=O)N3CCC(=O)CC3)cc2)cc(OC)c1C(=O)N1CCCCC1C(F)(F)F,YIBMDGBWRHXBHA-UHFFFAOYSA-N
-rxn:4:185233:222845,CC(c1ccc(-c2ccc(N(C(=O)Cc3ccc(F)cc3)C3C=CS(=O)(=O)C3)cc2)cc1)N1CCNCC1,DASFAARUKYNBID-UHFFFAOYSA-N
-rxn:4:185271:226091,CCCCOc1ccc(C)cc1-c1ccc(C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,ZFANIIVOMLCJFN-UHFFFAOYSA-N
-rxn:4:185271:227269,CCOc1cccc(OC)c1-c1ccc(C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,MAMJAMJOSVWBCQ-UHFFFAOYSA-N
-rxn:4:185307:222498,CCCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1cc(C)ccc1S(=O)(=O)NCc1ccccc1,AJPUHDKDBUOERR-UHFFFAOYSA-N
-rxn:4:185350:227525,CCc1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1,QXRRSBNESJTRIJ-UHFFFAOYSA-N
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-rxn:4:185353:226341,COc1cc(F)c(C(C)C)cc1-c1ccc(CC(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)cc1,NNKPYCMCLNSPGK-UHFFFAOYSA-N
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-rxn:4:185379:222906,CC(C)(C)OC(=O)Nc1ccncc1-c1cccc(C(F)(F)C2CCN(C(=O)OC(C)(C)C)CC2)c1,VAYUNTGABNLXPK-UHFFFAOYSA-N
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-rxn:4:185387:223952,CN1CCN(CCOc2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(F)(F)F)c3)cc2Cl)CC1,LCXRYTKBPAAIIF-UHFFFAOYSA-N
-rxn:4:185393:224634,COc1ccc(-c2ccc(C(=O)N3CCC(S(=O)(=O)Cc4ccccc4)CC3)cc2)cc1CN1CCOCC1,LCMDYMWIQHRXBI-UHFFFAOYSA-N
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-rxn:4:185449:223919,CN(C(=O)c1ccc(-c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2)cc1Cl)C1CCCCC1,XOYACHZNHCOFRT-UHFFFAOYSA-N
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-rxn:4:185545:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3cc(OC4CN(C(=O)OC(C)(C)C)C4)ccc3c2)c1,XRPXHKFIIUBNFT-UHFFFAOYSA-N
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-rxn:4:186129:224372,Cc1cc(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)c(OCC(F)(F)F)c([N+](=O)[O-])c1,XEVJLPNMQDTKNM-UHFFFAOYSA-N
-rxn:4:186221:223645,CCOC(=O)c1ccc(-c2cccc(C(=O)N3CCCC(C(=O)OCC)C3)c2)c(C#N)c1C,DKOBLHRDQNUIIY-UHFFFAOYSA-N
-rxn:4:186451:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(Cl)c3C(=O)N(CC)CC)c2)CC1,BHWZRCXKIKUZDR-UHFFFAOYSA-N
-rxn:4:186541:224248,CC1CCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3C(=O)ON3C(=O)CCC3=O)cc2Cl)CC1,IXXFDGLQRRIASJ-UHFFFAOYSA-N
-rxn:4:186542:226056,O=C(ON1C(=O)CCC1=O)c1cc(-c2c3c(cc4c2CCC4)CCC3)ccc1C(F)(F)F,KVNZZPLFEHRNNY-UHFFFAOYSA-N
-rxn:4:186545:222480,Cc1cccc(NC(=O)c2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)c(F)cc3C(F)(F)F)ccc2F)c1C,CKQDBZANVFYGDG-UHFFFAOYSA-N
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-rxn:4:186941:223653,COc1cc2cc(-c3ccc(CCC(=O)N4CCOCC4)cc3)n(C(=O)OC(C)(C)C)c2cc1Cl,KLZRKXIYKSUXFX-UHFFFAOYSA-N
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-rxn:4:187110:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cc2)c1,VGWBLDSRGNBLEG-UHFFFAOYSA-N
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-rxn:4:187183:223792,COC(=O)C1CCN(Cc2ccccc2-c2ccc(C(=O)N3CCC(C(=O)OC)CC3)cc2)CC1,FMLZSGADRBCCPN-UHFFFAOYSA-N
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-rxn:4:187216:224365,CCCCOc1cc(-c2cc(CN3CCC(F)CC3)cc(C(=O)OC)c2)cc(C(F)(F)F)c1F,GDXLJEMFUOFGND-UHFFFAOYSA-N
-rxn:4:187230:224158,COC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)CC1,QSFJQKGDNIFLOQ-UHFFFAOYSA-N
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-rxn:4:187254:224621,Fc1ccc(CCN2CCCC(C(F)(F)F)C2)cc1-c1ccc(OCCN2CCSCC2)cc1,YGHTYCFOMLZMBE-UHFFFAOYSA-N
-rxn:4:187272:224246,CC1CCN(C(=O)c2ccc(-c3ccc(N4C(=O)CC(SCc5ccc(Cl)cc5)C4=O)cc3)cc2F)CC1,GPMYESMNWVHHSQ-UHFFFAOYSA-N
-rxn:4:187352:224162,CC(C)[Si](c1ncc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)s1)(C(C)C)C(C)C,VGEKTLMRTQWQPY-UHFFFAOYSA-N
-rxn:4:187365:224100,CCOc1cc(OC2CCN(C)CC2)ccc1-c1ccccc1OCCN1CCC(C)CC1,RMQMLAJNDKTPQY-UHFFFAOYSA-N
-rxn:4:187413:224585,CC1CCN(C(=O)c2ccc(-c3cccc(C4CCCN4C(=O)OC(C)(C)C)c3)cc2)CC1,IYICFYMVTIKXFC-UHFFFAOYSA-N
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-rxn:4:187429:222798,COC(=O)c1cc(CN2CCC(C)CC2)cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C)c1,CRNQJOCSEJXINY-UHFFFAOYSA-N
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-rxn:4:187437:224864,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2ccc(CN(C(C)C)C(C)C)cc2)c1,YQTMVESISCFOSX-UHFFFAOYSA-N
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-rxn:4:187440:222808,CC(C)NC(=O)c1cc(-c2coc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc([N+](=O)[O-])c1,IFZKPBNMKNOBOF-UHFFFAOYSA-N
-rxn:4:187475:224592,CCC1CCCCN1c1ccc(-c2cc(C3(C#N)CCCCC3)ccc2F)cc1COC,GNKADZGPQHBQAM-UHFFFAOYSA-N
-rxn:4:187486:222723,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N(C)C1CCCCC1,GFOOVMDQNINSLZ-UHFFFAOYSA-N
-rxn:4:187494:225113,CC(C)(C)OOC(=O)c1cccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2)c1,QBYNMJXKCVYWQN-UHFFFAOYSA-N
-rxn:4:187495:225747,Cc1ccc(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)n1C(=O)OC(C)(C)C,LAUVDODLKJRUJC-UHFFFAOYSA-N
-rxn:4:187540:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cc(CN(C)C(C)C)cc(C(C)(C)C)c1,WHXSTYWSGHLTGD-UHFFFAOYSA-N
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-rxn:4:187561:227589,Cc1cc(OC(F)F)cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1,RLIQJJNFFGNTNM-UHFFFAOYSA-N
-rxn:4:187579:224649,CC1CN(C(=O)OC(C)(C)C)CCC1c1coc(-c2cc(F)ccc2OCC2CCCCO2)c1,QCTKLHWUENEHTC-UHFFFAOYSA-N
-rxn:4:187580:223159,CCNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)o2)cc1Cl,MXYAHMZGJDBRQI-UHFFFAOYSA-N
-rxn:4:187591:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(F)cc2C2CCCN(C(=O)OC(C)(C)C)C2)cc1,CRDLDHUPOZVQCO-UHFFFAOYSA-N
-rxn:4:187629:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cc(S(=O)(=O)N(C)C3CCCCC3)c(OC)cc2C)c1,FSVLKQGASMZDPQ-UHFFFAOYSA-N
-rxn:4:187640:224492,Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3-c3ccc(CCC(=O)N4CCCC4)cc3)CC2)cc(=O)o1,QEZBWZWGFWTCLC-UHFFFAOYSA-N
-rxn:4:187648:223078,CCNS(=O)(=O)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)c(C)c1,OONSYBXCGJRRNY-UHFFFAOYSA-N
-rxn:4:187656:226768,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2ccc(SC)c(C(F)(F)F)c2)cc1C,RDLNLTXFRNRIFL-UHFFFAOYSA-N
-rxn:4:187671:224369,CCN(CC)S(=O)(=O)c1cc(-c2cc(CN3CCC(C(F)(F)F)CC3)cc(C(C)(C)C)c2)c(F)cc1C,BUVGMITZIFAZHY-UHFFFAOYSA-N
-rxn:4:187677:222460,COc1cc(NS(=O)(=O)c2ccc(-c3ccc(C4CC45CCN(C(=O)OC(C)(C)C)CC5)cc3)cc2)ccc1F,KSTMYISLZYHAHE-UHFFFAOYSA-N
-rxn:4:187693:223805,O=C(c1ccc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)cc1F)c1ccccc1CN1CCC2(CC1)OCCO2,AWSWIYIQSUMYLS-UHFFFAOYSA-N
-rxn:4:187849:223176,CC(C)(C)OC(=O)N1CCc2c(-c3cccc(CNS(C)(=O)=O)c3)cc(C(F)(F)F)cc21,OGCHDHWQYVFSDN-UHFFFAOYSA-N
-rxn:4:187911:222841,C=C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccc(C(=O)NC2CCCC2)cc1,NGOKSFQDKPALNZ-UHFFFAOYSA-N
-rxn:4:187960:223597,CN(C)C(=O)Oc1ccc2c(-c3cc4cc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(Cl)c5)ccc4oc3=O)cc(=O)oc2c1,JSZXNPILUWDGHY-UHFFFAOYSA-N
-rxn:4:187970:223838,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c2ccccc21,XAYAMWALEMKBQR-UHFFFAOYSA-N
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-rxn:4:187974:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3CCC(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c(F)c2)CC1,KLRYRZINUUPSRQ-UHFFFAOYSA-N
-rxn:4:187987:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2ccc3c(=O)cc(C(=O)N4CCC(Cc5ccccc5)CC4)oc3c2)CC1,FARWGPRSFIJHEO-UHFFFAOYSA-N
-rxn:4:188171:223815,O=[N+]([O-])c1cc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc(OC(F)F)c1F,FMCZMEYULPDIND-UHFFFAOYSA-N
-rxn:4:188175:223537,CC(C)(C)OC(=O)n1c(-c2c(F)cc(OC(F)F)cc2[N+](=O)[O-])cc2cc(OC(F)(F)F)ccc21,PKBHEHHVAYHLLR-UHFFFAOYSA-N
-rxn:4:188678:224017,COc1cc(C(F)(F)F)c([N+](=O)[O-])cc1-c1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F,WVBRXHWKIYNAIU-UHFFFAOYSA-N
-rxn:4:189008:223504,COC(=O)c1csc(-c2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)n1,QFGUYOKMFVPUNR-UHFFFAOYSA-N
-rxn:4:189694:223482,N=S(=O)(Cc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1)c1ccccc1,CGMKVACEZYCOFI-UHFFFAOYSA-N
-rxn:4:189774:223670,CN(Cc1cccc(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CCC1,OYIKUDXRTZQVKH-UHFFFAOYSA-N
-rxn:4:189877:225202,FC1(F)CCN(Cc2cc(C(F)(F)F)ccc2-c2cc(C3CCC3)cc(C(F)(F)F)c2)C1,QKILGEQPNNUDNM-UHFFFAOYSA-N
-rxn:4:189888:223093,CC(C)S(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)c(C(F)(F)F)c2)c1,CTAWCDLDYUFXJU-UHFFFAOYSA-N
-rxn:4:189922:222466,COC(=O)c1cnc(C2CCOCC2)cc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,GODFKAQFJMOGOD-UHFFFAOYSA-N
-rxn:4:189922:223539,COC(=O)c1cnc(C2CCOCC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,IXFSPZIRVYCLRJ-UHFFFAOYSA-N
-rxn:4:189945:223490,Cc1ccc(-c2ccc(Oc3ccc(C(C)C)cc3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MAKHKESICQNXQO-UHFFFAOYSA-N
-rxn:4:189971:223558,O=C(OCc1ccccc1)N1CCc2cc(-c3cc(OC(F)(F)F)cc(N4CCC(F)(F)CC4)c3)ccc2C1,CRDJUZLQRSSBTE-UHFFFAOYSA-N
-rxn:4:190004:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(F)ccc2CC(=O)N2CCCCC2)c(C(F)(F)F)c1,FJZZQLGMQOCRKY-UHFFFAOYSA-N
-rxn:4:190018:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccccc3C(=O)N(C)C3CCS(=O)(=O)C3)cnc21,WJSPKGHLQABJCB-UHFFFAOYSA-N
-rxn:4:190111:222630,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1,AORDTDWNSCWAEA-UHFFFAOYSA-N
-rxn:4:190118:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(C3(C(=O)N4CCCC4)CC3)c2)c1,TVMAALNWAACZNE-UHFFFAOYSA-N
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-rxn:4:204135:226554,CCCOc1cc(F)c(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)cc1F,UYTYICRNKFOILF-UHFFFAOYSA-N
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-rxn:4:207779:222923,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1S(=O)(=O)NC1CC1,PEVSXUCGRHFZHH-UHFFFAOYSA-N
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-rxn:4:212482:223670,CN1C(=O)COc2c1cnc1cc(F)c(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)cc21,BBRHMHWUMIFPBQ-UHFFFAOYSA-N
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-rxn:4:212616:225173,O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cncc(-c2ccc(C(=O)N3CCCC3)cc2F)c1,TXCIOXRIMLICKP-UHFFFAOYSA-N
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-rxn:4:212650:224759,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,YVERUUZMSXVYNW-UHFFFAOYSA-N
-rxn:4:212663:225825,COC(=O)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(N2CCN(C)CC2)nc1,PPSXTVQWDMZYQU-UHFFFAOYSA-N
-rxn:4:212678:223534,Cc1cnc(OCC2CCCN(C(=O)Cc3ccccc3-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)C2)nc1,VEXYXVTWFBOFBN-UHFFFAOYSA-N
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-rxn:4:212721:228813,CSc1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(=O)C(C)C)CC3)n2)ccc1Cl,UOBBOVAZGGZJJC-UHFFFAOYSA-N
-rxn:4:212739:227256,CCOc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCCC3)c2)c(OC)c1,BTTWBEPPCFRDAM-UHFFFAOYSA-N
-rxn:4:212741:223279,CC1CN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,KBZDRFIOCXXCHK-UHFFFAOYSA-N
-rxn:4:212742:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCCC1,NHJNPDXFXGPBCP-UHFFFAOYSA-N
-rxn:4:212836:222598,Cc1cc(-c2ccc(C3=NN(C(=O)CSc4cn(C)c5ccccc45)C(c4ccc(F)cc4)C3)cc2)cc(C)c1S(=O)(=O)NC1CCCC1,LDHNWHNAKAQHPD-UHFFFAOYSA-N
-rxn:4:212861:223602,CN(C)CCCOc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cn1,VHGANGAGAOFXLY-UHFFFAOYSA-N
-rxn:4:212966:225276,CCCOc1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)ccc1C(F)(F)F,AEAVBCDVEPIVNY-UHFFFAOYSA-N
-rxn:4:213038:223593,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c[nH]2)CC1,QEMIYWDDGHEXTC-UHFFFAOYSA-N
-rxn:4:213064:225219,CC1CCCCN1c1cc(F)c(-c2cncc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)c2)cn1,GRFMFZOXHQJHMT-UHFFFAOYSA-N
-rxn:4:213065:226896,COCn1cc(-c2cnc(OC3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)C3)nc2)c(C(F)(F)F)n1,ASFUJHLMSXIXHX-UHFFFAOYSA-N
-rxn:4:213066:222688,O=C(Nc1ccccn1)c1ccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)o2)cc1F,XZGTYVIDRKGPPB-UHFFFAOYSA-N
-rxn:4:213070:226619,Cc1nc(N2CCCC2)ncc1-c1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1,IOUQQRYCVAMSDW-UHFFFAOYSA-N
-rxn:4:213088:223581,COC(=O)c1cccc2cc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3C#N)n(C(=O)OC(C)(C)C)c12,SLLDQCIXWZPMHL-UHFFFAOYSA-N
-rxn:4:213098:225536,CC(C)COc1ccc(-c2cc(C#N)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C#N,NGPYNNHXAKSVFA-UHFFFAOYSA-N
-rxn:4:213100:226119,Cc1ccc(OCC2CC2)c(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)(F)F)c1,KVNJLOHCFRKOAK-UHFFFAOYSA-N
-rxn:4:213131:226493,COCCOc1ccc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)c(Cl)c1,VCVPGHPBIMOWOD-UHFFFAOYSA-N
-rxn:4:213138:223167,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCNCC4)c3)cnc2F)CC1,YAKKHKVZVLZYBG-UHFFFAOYSA-N
-rxn:4:213138:227213,CCCCSc1cncc(-c2cnc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,MWLMCUNBAMHLRF-UHFFFAOYSA-N
-rxn:4:213157:222542,Cc1ccc(-c2cncc(C(=O)N3CC(Oc4cc(C)n(C5CC5)c(=O)c4)C3)c2)cc1OCCCN1CCNCC1,AWDFMNNFBBVRPS-UHFFFAOYSA-N
-rxn:4:213164:225532,CCN(CC)Cc1ccc(-c2cnc(OCC3CCCN(C(=O)C4CCCC4)C3)nc2)c(F)c1,GZJPTOCJGAEHGE-UHFFFAOYSA-N
-rxn:4:213191:223912,COc1ccc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c(OCc2ccccc2)c1Cl,RCVAMJJYSXTAEA-UHFFFAOYSA-N
-rxn:4:213192:223118,CCCC(=O)Nc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)c1,WZFXIIYEHCRSGI-UHFFFAOYSA-N
-rxn:4:213192:226659,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(N4CCCC4)c(Cl)c3)n2)CC1,WIKHIYFDWJPJOP-UHFFFAOYSA-N
-rxn:4:213202:225160,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(Cl)c(C(=O)N4CCCC4)c3)CC2)nn1,SMMUSMKJPZZWRY-UHFFFAOYSA-N
-rxn:4:213204:224950,COc1ccc(-c2ccccc2S(=O)(=O)N2CCCC(COc3ncc(C)cn3)C2)c(CN2CCCC2)c1,RLHPNXBOJMPJCF-UHFFFAOYSA-N
-rxn:4:213228:224670,CC1CN(S(=O)(=O)c2cncc(-c3cc(CN4CCN(C)CC4)ccc3F)c2)CCN1C(=O)OC(C)(C)C,LMASORCHZNUUNC-UHFFFAOYSA-N
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-rxn:4:213261:224717,O=C(OCc1ccccc1)n1nccc1-c1ccc(CN2CCN(CC(F)(F)F)CC2)c(N2CCOCC2)c1,VKXJEBISFUXKRE-UHFFFAOYSA-N
-rxn:4:213282:227112,Cc1cc(C2CC2)c(Cl)cc1-c1cccc(N2CC(C(=O)N3CCC(Oc4ccncc4)CC3)CC2=O)c1,WTRFLSSOBQALDB-UHFFFAOYSA-N
-rxn:4:213285:224425,CCCC1CCC(c2ccccc2-c2ccc(C3CC(c4cccc(OC)c4)=NN3c3ccc(S(N)(=O)=O)cc3)cc2)CC1,LSDSVOGCDPWFDQ-UHFFFAOYSA-N
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-rxn:4:214123:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccn4cc(C(C#N)O[Si](C)(C)C)nc4c3)cc2)C1,KOGKKSLROZXPLQ-UHFFFAOYSA-N
-rxn:4:214145:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2,XJHNGLAUNJNYDR-UHFFFAOYSA-N
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-rxn:4:214230:222865,CCCCNC(=O)c1ccc(-c2cnc3c(C4=CCN(C(=O)OC(C)(C)C)CC4)c[nH]c3c2)cc1Cl,LHJYGBGGBAJWSP-UHFFFAOYSA-N
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-rxn:4:214267:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCN(C(=O)c6ccc(OC)cc6)CC5)sc4c3)cc2)CC1,IYWDHVZLOLQIBZ-UHFFFAOYSA-N
-rxn:4:214293:224970,Cc1cccc(C)c1-n1nc2c(c1-c1ccc(S[Si](C)(C)C(C)(C)C)cc1)CN(C(=O)OC(C)(C)C)C2,PFIYURALTCHQGI-UHFFFAOYSA-N
-rxn:4:214323:226487,COC(=O)COc1cccc(-c2ccc3ccn(CC(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c3c2)c1,RPJVPYAYRVPADV-UHFFFAOYSA-N
-rxn:4:214527:223539,COc1ccc(-c2cn(Cc3ccccc3F)nc2[N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC1)OCCO2,AOWGWAJTQHFEOQ-UHFFFAOYSA-N
-rxn:4:214586:223973,CC(=O)N1CCC(Oc2cnc(-c3ccc(N4CCCC(C)C4)cc3C(F)(F)F)cn2)C1,CCXZBCSZKVMWFA-UHFFFAOYSA-N
-rxn:4:214631:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(CC2CCN(S(C)(=O)=O)C2)cn1,JRZFZKDSJOYBGI-UHFFFAOYSA-N
-rxn:4:214698:222584,CCCc1nc(N2CCN(C)CC2)sc1-c1ccc(OCCCN2CCNCC2)c(F)c1,HOBUCQKXAWXYBS-UHFFFAOYSA-N
-rxn:4:214706:222585,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)C1,NAFZFZZJHFLIDS-UHFFFAOYSA-N
-rxn:4:214706:222828,CS(=O)(=O)N1CCCC(Cc2cnc(-c3cc(F)c(F)cc3S(=O)(=O)NC3CC3)cn2)C1,QSROUGYSRGSTKE-UHFFFAOYSA-N
-rxn:4:214706:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(CC2CCCN(S(C)(=O)=O)C2)cn1,JHWIAACKASOQRI-UHFFFAOYSA-N
-rxn:4:214707:225080,COC(=O)C1CCc2cc(-c3cnn(C4CCN(S(=O)(=O)C5CC5)CC4)c3)ccc2O1,KDVBMFZPZTXZPZ-UHFFFAOYSA-N
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-rxn:4:214711:224573,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCCCC4C)cc3C#N)cn2)CC1,LDGGFMABXDHSDD-UHFFFAOYSA-N
-rxn:4:214711:224597,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cn2)CC1,QLMXYXGBKZONBJ-UHFFFAOYSA-N
-rxn:4:214711:224818,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)CC1,LTOPYLNMFMNUQQ-UHFFFAOYSA-N
-rxn:4:214762:223785,CCN1CCN(CCOc2ccc(-c3ccc(CN4CCN(C(C)C)CC4)cn3)cc2Cl)CC1,UZAOQMIJXXXSQI-UHFFFAOYSA-N
-rxn:4:214772:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(CC4CCCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,RTOIWGYGOBBPRL-UHFFFAOYSA-N
-rxn:4:214773:224685,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3cccc(C(=O)N4CCC(=O)CC4)c3)c2)CC1,NHWFOMMFWZWXNP-UHFFFAOYSA-N
-rxn:4:214776:225997,CCOc1ncc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(C)C)CC3)c2)cc1C(F)(F)F,HMQBAIFXVYOQRO-UHFFFAOYSA-N
-rxn:4:214802:222584,O=C(C1CN(c2ncccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CCO1)N1CCCC1,MNGIRWYFNPRWSL-UHFFFAOYSA-N
-rxn:4:214802:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cccnc3N3CCOC(C(=O)N4CCCC4)C3)c2)C1,QQQAJPMVCJBCSM-UHFFFAOYSA-N
-rxn:4:214821:223019,N#CCCNC(=O)c1cccc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c1,HLIDSLZKUIPAQF-UHFFFAOYSA-N
-rxn:4:214836:226554,CCCOc1cc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1F,ICXRJHHWMYYQBN-UHFFFAOYSA-N
-rxn:4:214837:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,VKAGRVPVFVYNIP-UHFFFAOYSA-N
-rxn:4:214838:222586,O=C(NCCc1ccc(F)cc1)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)s1,OHWPYWISAOAEHR-UHFFFAOYSA-N
-rxn:4:214838:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1OCC,NRKNHANZPRNYMG-UHFFFAOYSA-N
-rxn:4:214868:224686,O=C(c1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)c(F)c1)N1CCCCC1,LMGOFVNBBKMGBX-UHFFFAOYSA-N
-rxn:4:214871:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,FNSMSUKOWSFISK-UHFFFAOYSA-N
-rxn:4:214873:226259,CCCCOc1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)cc1Cl,GEDVNLPHJYYNCH-UHFFFAOYSA-N
-rxn:4:214875:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(F)c1,GWNHKEXYESSFTP-UHFFFAOYSA-N
-rxn:4:214880:227212,CCCCOc1ncccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,QDINMZNHGWYOEJ-UHFFFAOYSA-N
-rxn:4:215056:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(CSC3=NN4CCCC(=O)N=C4S3)cc2)c1,RORAEDKMDVGDHA-UHFFFAOYSA-N
-rxn:4:215060:224484,CC(C)N(C(=O)c1ccccc1-c1ncn2c1CN(C(=O)OC(C)(C)C)CC2)C(C)C,UNWGLALHPGVAJQ-UHFFFAOYSA-N
-rxn:4:215060:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ncn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,BYKMQMPGKBAGQI-UHFFFAOYSA-N
-rxn:4:215078:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(CC(=O)N3CCc4ncncc4C3)cc2)C1,BFGRTTDWWCHNCR-UHFFFAOYSA-N
-rxn:4:215101:222682,COc1cccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)c1NC(=O)OC(C)(C)C,YWTAYFDQNHANHY-UHFFFAOYSA-N
-rxn:4:215108:222792,Cn1nc2c(c1-c1cc(NC(=O)OC(C)(C)C)ccc1F)CCN(C(=O)OC(C)(C)C)C2,YMCSACRKULNKEC-UHFFFAOYSA-N
-rxn:4:215108:224953,Cn1nc2c(c1-c1ccc(OCC3CCCCC3)nc1)CCN(C(=O)OC(C)(C)C)C2,OLXVAMOLKSFKBN-UHFFFAOYSA-N
-rxn:4:215197:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC2CN(c3ccccn3)CC21,JBAUYFAKPPRKCT-UHFFFAOYSA-N
-rxn:4:215218:224089,CC1CCN(CCOc2ccc(-c3ccc(-c4noc(C5CC(=O)N(c6ccc7c(c6)OCCO7)C5)n4)cc3)cc2)CC1,ZJTJRRRCCGGPIE-UHFFFAOYSA-N
-rxn:4:215233:224491,CC(C)N(Cc1cc(-c2ccc(CN3CCC(N4c5ccccc5N(C)S4(=O)=O)CC3)cc2)ccc1F)C(C)C,LAWZETDWVOVINJ-UHFFFAOYSA-N
-rxn:4:215299:227500,CCN(C)c1ncc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C2(CCN(C(C)=O)CC2)O3)cc1Cl,XSAGPZFBGQEDCR-UHFFFAOYSA-N
-rxn:4:215300:224702,Cc1c(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)cc(F)c(OC2CCCC2)c1F,ZZUPROBEJZKYKO-UHFFFAOYSA-N
-rxn:4:215300:226652,Cc1cc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)n(C2CCCCO2)n1,BFZGLHQIIYKWCX-UHFFFAOYSA-N
-rxn:4:215309:226844,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3ccnc(C(=O)C(F)(F)F)c3)cccc1-2,SYMKZDPMTIIAPT-SFHVURJKSA-N
-rxn:4:215914:224254,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1ccc(F)c(C(=O)N2CCCC(C)C2)c1,AGECIZDAPTZEQK-UHFFFAOYSA-N
-rxn:4:215969:224668,CCN1CCN(c2cc(F)cc(-c3cc(Cl)cnc3N3CCN(C4CCC4)CC3)c2)CC1,NTNHMRPWXPVSDW-UHFFFAOYSA-N
-rxn:4:216354:223817,CC(=O)N1CCC2(CC1)Oc1ccc(-c3cnn(CCN4C(=O)c5ccccc5C4=O)c3)cc1C1CC(c3ccccc3)=NN12,DQKKNZICMZROMC-UHFFFAOYSA-N
-rxn:4:217206:223501,Cc1cc(N2CCC(C)CC2)nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)n1,ZGFKUSZJAQHCJG-UHFFFAOYSA-N
-rxn:4:217884:223502,CN1CC=C(c2c[nH]c3ncc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc23)CC1,MTOKDGLEESTYEK-UHFFFAOYSA-N
-rxn:4:218471:223527,CN1CCn2nc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2C1=O,AXXHAJYFTKLJHX-UHFFFAOYSA-N
-rxn:4:218589:225894,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(COCC(F)(F)F)c4)cn3)C2)cc1,XUZHQGYHSGNRJO-UHFFFAOYSA-N
-rxn:4:218600:225975,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccnc(N4CCOCC4)c3Cl)cn2)CC1,JVEBSMBBYSJJEL-UHFFFAOYSA-N
-rxn:4:218604:225172,COc1ccc(C(=O)N2CCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)CC2)cn1,HKJSCOFPABDBKN-UHFFFAOYSA-N
-rxn:4:218620:224952,c1cc(CCN2CCOCC2)cc(-c2cnc(OCC3CCCN(Cc4csc(C5CC5)n4)C3)nc2)c1,HZDMQZCSSPWYAV-UHFFFAOYSA-N
-rxn:4:218641:222968,CC(C)CNC(=O)c1ccc(-c2ccccc2CCC(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)cc1,YOCRGSUPBVEZBQ-UHFFFAOYSA-N
-rxn:4:218698:223050,CC(C)NC(=O)c1cc(F)cc(-c2ccc(N3CC(C(=O)N4CCN(CCc5ccncc5)CC4)CC3=O)cc2)c1,NSLRWKQTLWAAIE-UHFFFAOYSA-N
-rxn:4:218745:225219,CC1CCCCN1c1cc(F)c(-c2cnc(OCC3CCCN(C(=O)Cn4c(=O)oc5ccccc54)C3)nc2)cn1,STSGUNJFOGVMQB-UHFFFAOYSA-N
-rxn:4:218768:223027,CCCNC(=O)c1cc(F)cc(-c2cc(CCC(=O)N3Cc4cnc(N5CCOCC5)nc4C3)ccc2OC)c1,GLGGQODHRGCPMP-UHFFFAOYSA-N
-rxn:4:218787:223595,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,NCJIRUDPZLRZHL-UHFFFAOYSA-N
-rxn:4:218867:225947,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCN(C)CC4)nc3)c2)no1,YKWONHPYKSYTQM-UHFFFAOYSA-N
-rxn:4:218867:226382,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCCC4)nc3)c2)no1,MTPFFHFKBYQNPU-UHFFFAOYSA-N
-rxn:4:218867:226572,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(OC4CCCC4)nc3)c2)no1,OOUISBGGDZPXHY-UHFFFAOYSA-N
-rxn:4:218868:225947,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCN(C)CC4)nc3)cc2)no1,ITRJIFDXEPCARU-UHFFFAOYSA-N
-rxn:4:218868:226572,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(OC4CCCC4)nc3)cc2)no1,UGIZVFHCXDGLJP-UHFFFAOYSA-N
-rxn:4:218868:226619,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCC4)nc3C)cc2)no1,RYBKZQWVATXFCJ-UHFFFAOYSA-N
-rxn:4:218887:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCN(C(=O)c5cnoc5C)CC4)nc3)c2)CC1,STRSWFKPNNUATM-UHFFFAOYSA-N
-rxn:4:218888:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cnoc5C)C4)nc3)c(F)c2)CC1,BQFVIOSEOBZPBV-ANRZFKABSA-N
-rxn:4:218903:226549,CCOc1c(Cl)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)cc1OC,KEZFJSYAEKSCPJ-UHFFFAOYSA-N
-rxn:4:218922:224586,CC1CCN(Cc2ccc(F)cc2-c2cnc(OCC3CCN(c4ncccc4C(F)(F)F)CC3)nc2)CC1,DHSJYPZHOCDOSW-UHFFFAOYSA-N
-rxn:4:218945:223294,CC(C)(C)OC(=O)N1CCN(c2c(-c3csc(N4CCNCC4)n3)cncc2[N+](=O)[O-])CC1,LXEBJAURPYCXGW-UHFFFAOYSA-N
-rxn:4:218945:226096,CC(C)CCOc1cccc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)CC2)c1,POBNCWRQCANVKC-UHFFFAOYSA-N
-rxn:4:218972:224762,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)cn3)C2)s1,GTTYJZSHIDGAKL-UHFFFAOYSA-N
-rxn:4:219002:225898,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)c1=O,LBOWANOIQHPISA-UHFFFAOYSA-N
-rxn:4:219011:223102,CN(c1cnc(-c2ccsc2S(=O)(=O)NC(C)(C)C)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,XFJUOFAMVAVKNF-UHFFFAOYSA-N
-rxn:4:219014:224127,CCN1CCN(C(C)c2ccc(-c3ccccc3CC(=O)N3CCC(N(C)c4ncc(Cl)cn4)CC3)cc2)CC1,KAFUGMVPBGNCIU-UHFFFAOYSA-N
-rxn:4:219042:227656,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1nn(C)cc1-c1cc(N2CCOCC2)cs1,WVQKJKBTEXKFIG-UHFFFAOYSA-N
-rxn:4:219043:222445,COc1cccc(CNC(=O)c2cccc(-c3cn(C)nc3CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2F)c1,MNAPETNWMNAQRC-UHFFFAOYSA-N
-rxn:4:219046:227275,CCCOc1c(F)cccc1-c1cnc(OCC2CCCN(C3CCN(C4CC4)C3=O)C2)nc1,IHSFARQMPUYYLW-UHFFFAOYSA-N
-rxn:4:219049:223929,COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(-c5cnc6c(c5)CCN(C(=O)OC(C)(C)C)C6)o4)CC3)ncn2)cc1,ILKKUVPVPSHQGS-UHFFFAOYSA-N
-rxn:4:219051:222544,CN(c1cnc(-c2ccc(NC(=O)OCc3ccccc3)cc2)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,WQOMEPHXLCHCIN-UHFFFAOYSA-N
-rxn:4:219051:223867,CC1CCN(CCCOc2cccc(-c3cnc(N(C)C4CCCN(C(=O)OC(C)(C)C)CC4)cn3)c2)CC1,HNUSUAZSUJJYSN-UHFFFAOYSA-N
-rxn:4:219053:223006,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(F)c(C5CCNCC5)c4)c3)cn2)CC1,MVBOAAWEHRYOEC-UHFFFAOYSA-N
-rxn:4:219053:223060,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(Cl)nc(C5CCNCC5)c4)c3)cn2)CC1,FNHVYTXVYABFEE-UHFFFAOYSA-N
-rxn:4:219080:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)cc3C(=O)N3CCN(c4c(C)nn(-c5ccccc5)c4C)CC3)ccc2C)CC1,CAWPZBDAXCLRMU-UHFFFAOYSA-N
-rxn:4:219096:225640,CC1CCCCN1c1cc(-c2cnn(CC3CN(C(=O)CN4C(=O)c5ccccc5C4=O)C3)c2)ccn1,HESGKVDRKOVZSU-UHFFFAOYSA-N
-rxn:4:219120:224718,O=C(c1cncc(-c2ccc(OCCN3CCOCC3)nc2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,XUCJPJZIEKAKPT-UHFFFAOYSA-N
-rxn:4:219125:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccccc1CCC(=O)N1C2CCC1CC(n1nccn1)C2,BJWQWJMVNSVQFR-UHFFFAOYSA-N
-rxn:4:219242:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)cc1,NDIDGWUJTXOHHS-UHFFFAOYSA-N
-rxn:4:219257:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(C(=O)N2CC(S(=O)(=O)c3nncn3C)C2)o1,BKFQCLOZWPJCDQ-UHFFFAOYSA-N
-rxn:4:219354:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(N(C)S(=O)(=O)C5CC5)C4)nc3)cc2)CC1,IBRCFKCMNOYKMI-HPCXZVJPSA-N
-rxn:4:219378:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(CC(=O)N3CCC(n4ccnn4)CC3)cc2)CC1,DURHXPCXHHKJOM-UHFFFAOYSA-N
-rxn:4:219381:223928,CSc1ncc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,DTLLVKKUTGZLNN-UHFFFAOYSA-N
-rxn:4:219468:226417,O=C(N1CCOCC1)N1CCC(Oc2ncc(-c3cc(Cl)cc(N4CCCC4)c3)cn2)CC1,FXVRKMNNLSECME-UHFFFAOYSA-N
-rxn:4:219469:223970,CSc1ncc(-c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,KSSCJCIYQLZQRV-UHFFFAOYSA-N
-rxn:4:219471:223945,CSc1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,STSASGIRRDUSFC-UHFFFAOYSA-N
-rxn:4:219487:223101,CNS(=O)(=O)c1cc(-c2cnc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1OC,FVWYPEBLBUFMGY-UHFFFAOYSA-N
-rxn:4:219498:222900,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1csc(CNC(=O)OC(C)(C)C)c1,VLUZHLPGJCFOPI-UHFFFAOYSA-N
-rxn:4:219499:223279,N#Cc1cc(-c2cnc(C3CCCN3)nc2)cnc1N1CCCC(C(=O)N2CCOCC2)C1,XBZZAZCJNBEJQE-UHFFFAOYSA-N
-rxn:4:219501:226095,CCCCOc1cc(C)cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1,XMMQTLMGQKBWBW-UHFFFAOYSA-N
-rxn:4:219524:224267,Cc1cc(C)nc(OC2CCCN(C(=O)c3cncc(-c4cccc(N5CCC6(CC5)OCCO6)c4)c3)C2)n1,HNCGCVPQIZSZNU-UHFFFAOYSA-N
-rxn:4:219532:222575,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1,AMSQCYAQBGGZLO-UHFFFAOYSA-N
-rxn:4:219533:228695,CSc1ncc(-c2csc(CN(C)C)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,VBWGNSVFDCMXEU-UHFFFAOYSA-N
-rxn:4:219536:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)o1,FAVZXCNILDUFCE-UHFFFAOYSA-N
-rxn:4:219537:223834,Cc1cc(-c2ccccc2S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,IOTUELXACBEELV-UHFFFAOYSA-N
-rxn:4:219559:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)o1,BUBDCQDXQLXDOK-UHFFFAOYSA-N
-rxn:4:219565:226612,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5)nc4)cc3)CC2)n1,SOABRHUZQJSRKE-UHFFFAOYSA-N
-rxn:4:219565:226663,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(N5CCSCC5)nc4)cc3)CC2)n1,SOVOIKMHSVZVLY-UHFFFAOYSA-N
-rxn:4:219569:223025,CCCNC(=O)c1cc(-c2cc([N+](=O)[O-])c(OC)cc2N2CCC(N3CCN(C)CC3)CC2)ccc1Cl,PMNGGXUIAPKJFW-UHFFFAOYSA-N
-rxn:4:219654:224759,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc23)CC1,KBFUUKLDYZRIOE-UHFFFAOYSA-N
-rxn:4:219692:225566,CC1(COc2ccc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)c4nc(Cl)ncc34)cc2)COC1,WQVGWUPEVBNLOI-UHFFFAOYSA-N
-rxn:4:219704:224590,CC1CCN(Cc2ccc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)c(F)c2)CC1,BEPRMDZEQZKBEG-UHFFFAOYSA-N
-rxn:4:219706:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)CC1,JXCQGSDLNHYRDL-UHFFFAOYSA-N
-rxn:4:219710:222834,CCC(CC)NC(=O)c1ccc(-c2ccc(N3N=NC4C(=O)N(c5cc(OC)cc(OC)c5)C(=O)C43)cc2C)cc1,ADEWHTACGIOVPT-UHFFFAOYSA-N
-rxn:4:219750:225462,COc1ccc(-c2cccc(N3CCC(C)CC3)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,IIMJZSHKELBHFA-UHFFFAOYSA-N
-rxn:4:219751:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc(F)nc2c1F,RIXVQKHWTMLFQK-INIZCTEOSA-N
-rxn:4:219758:222859,CN(C)CCNC(=O)c1ccc(-c2ccccc2CC(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cc1,IJOXNYQAUAIXBL-UHFFFAOYSA-N
-rxn:4:219759:226714,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccnn4C(=O)OC(C)(C)C)cc2)OC3)CC1,VQIPPPXLYWUHGU-UHFFFAOYSA-N
-rxn:4:219848:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccccc1S(=O)(=O)N1CC(n2ccnn2)C1,QBDQEIFPXVWVIH-UHFFFAOYSA-N
-rxn:4:219853:224325,CC(=O)N1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2C#N)CC1,QQBKDBKNDHXBKA-UHFFFAOYSA-N
-rxn:4:219876:224650,CCN1CCN(C(=O)c2cnn(C)c2-c2cc(F)ccc2OCC2CCOCC2)CC1,GMUNQZLECHHECW-UHFFFAOYSA-N
-rxn:4:219960:223505,Cc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)nn1,SVIMYMWQNUCXRQ-UHFFFAOYSA-N
-rxn:4:220039:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)cc1,WULIHXSKBCRRTI-HNNXBMFYSA-N
-rxn:4:220136:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cn2)CC1,HXRDQZMKJKCCJW-UHFFFAOYSA-N
-rxn:4:220137:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)ccc(F)c2s1,FQMCUEHGNPDJEN-UHFFFAOYSA-N
-rxn:4:220161:224006,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5cc6cc(OC(F)(F)F)ccc6nc5OC)c(C)c4)C3C2=O)c1,MPTQIJFOYRBXBE-UHFFFAOYSA-N
-rxn:4:220430:225222,CC1CCCCN1c1cc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)c(F)cn1,XMWHMUROURJVEZ-UHFFFAOYSA-N
-rxn:4:220497:223830,CCN1CCN(S(=O)(=O)c2cc(-c3nc4c(c(=O)n(C)c(=O)n4C)n3CC(C)C)ccc2C)CC1,PKBGPPOYERWTDQ-UHFFFAOYSA-N
-rxn:4:220536:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c2)CC1,RHTURXKOWMOBSE-UHFFFAOYSA-N
-rxn:4:221121:222470,COc1ccc(CNC(=O)c2cccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)cc1,FCDOCOLNWLZSPT-UHFFFAOYSA-N
-rxn:4:221145:222741,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CC2)nc(C2CCCNC2)c1,DERMVGHDIHRGFK-UHFFFAOYSA-N
-rxn:4:221153:222634,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)c1,OBFBGJRMJPDNDS-UHFFFAOYSA-N
-rxn:4:221172:223650,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)CC2)ccc1=O,QUPPYGRJVOIASA-UHFFFAOYSA-N
-rxn:4:221173:223596,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)ccc1=O,GCLYMLRBJJVTTD-UHFFFAOYSA-N
-rxn:4:221181:223602,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)nn1C,CKDMBCYXONBGMF-UHFFFAOYSA-N
-rxn:4:221205:223180,CONC(=O)c1ccc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)cc1F,DJHIUAJIKXIMGY-UHFFFAOYSA-N
-rxn:4:221208:223480,Cc1cc(N2CCN(CCc3ccc(-c4cc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cc3)CC2)nc(N2CCOCC2)n1,RATRVUCQERIHGD-UHFFFAOYSA-N
-rxn:4:221226:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(Cc5cn6ccccc6n5)C4)nc3)ccc2F)CC1,IQUZBSASYALFNT-UHFFFAOYSA-N
-rxn:4:221230:225179,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cccc(Cl)c4CN4CCOCC4)cn3)C1)CCC2,CQLBDYIKGWCCRN-UHFFFAOYSA-N
-rxn:4:221233:222546,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCNC6CCCCC6)c(F)c5)c4)CC3)ccc2n1,YGDBZUIDUHONCP-UHFFFAOYSA-N
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-rxn:4:222108:225709,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCCN(C)C)nc6)cc5)no4)C3C2=O)cc1F,UHEVVDDNEJUBMZ-UHFFFAOYSA-N
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-rxn:4:222229:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)c2)CC1,GIVCMXXSVKNMJO-UHFFFAOYSA-N
-rxn:4:222337:223528,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)n1,CCXCXSRIORXPIY-UHFFFAOYSA-N
-rxn:4:222363:226261,CCOc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1OCC,BDTCBPCYATWLBG-UHFFFAOYSA-N
-rxn:4:222363:226512,Cc1cc(CN2CCN(c3c(-c4ccncc4OCC4CCO4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NYBTWARYDFRIKN-UHFFFAOYSA-N
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-rxn:4:222523:203951,CC(C)(C)NS(=O)(=O)c1ccc(-c2cncc([C@@H]3CCCN3[S@@](=O)C(C)(C)C)c2)c(C(F)(F)F)c1,UWAOFZKHCMFDIZ-TXRXYBTHSA-N
-rxn:4:222543:187970,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)c2ccccc21,RGEURSQLJPCHEL-UHFFFAOYSA-N
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-rxn:4:222613:174428,CCCNS(=O)(=O)c1ccc(-c2ccc(SC(C)(C)C(=O)OC(C)(C)C)cc2)c(C(F)(F)F)c1,UVYOUPGFZYGZPX-UHFFFAOYSA-N
-rxn:4:222613:186864,CCCNS(=O)(=O)c1ccc(-c2ccc(C3(C(=O)N(C)CC)CC3)cc2)c(C(F)(F)F)c1,FKEADFZEHOHPAC-UHFFFAOYSA-N
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-rxn:4:222801:187251,Cc1ccc(-c2ccc(F)c(CCN3CCCC(C(F)(F)F)C3)c2)cc1S(=O)(=O)NC(C)(C)C,MOKFYWYIILLMLC-UHFFFAOYSA-N
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-rxn:4:223570:178318,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(O[Si](C)(C)C(C)(C)C)ccc3F)c(F)ncc21,GOYJVYCUWAVYRD-UHFFFAOYSA-N
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-rxn:5:177891:226447:228974,CS(=O)(=O)n1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCOCC3)c2)cn1,CGQOAXFMLJJSNW-UHFFFAOYSA-N
-rxn:5:177891:226457:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1ccc(C2CCOC2)c(F)c1,JUWPHSUNAVCMAN-UHFFFAOYSA-N
-rxn:5:177891:226583:225784,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)nc1)c1ccccc1-c1ccc(CN2CCOCC2)s1,CUYOWOWJYDTMQG-UHFFFAOYSA-N
-rxn:5:177891:226590:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3CCOC3)nc2)ccc1C1COC1,NKKDGWVDQQZIAT-UHFFFAOYSA-N
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-rxn:5:177891:226665:227032,N#Cc1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc(C3CCCOC3)nc2)c1C1CC1,FNYOEZOUQFUEDP-UHFFFAOYSA-N
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-rxn:5:177891:227657:223054,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCOCC3)s2)s1)N1CCC(O)C1,BBCCDOQYTHPXJW-UHFFFAOYSA-N
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-rxn:5:178117:227501:225831,Cc1cc(-c2ccc(-c3ccc(C=C[N+](=O)[O-])cc3)cc2OCC2CCOCC2)cnc1N1CCOCC1,ZJDZGMQTPUMLNQ-UHFFFAOYSA-N
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-rxn:5:178225:225394:227045,CC(C)(C)Sc1cccc(-c2c(OCC3CCCCC3)cccc2-c2cc(C3CCC3)cc(C3CC3)c2)c1,XDYSJBWMMULFBR-UHFFFAOYSA-N
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-rxn:5:178295:226580:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(C(=O)N(C)C)ccc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,YNTONSUAFNZBET-UHFFFAOYSA-N
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-rxn:5:178295:227281:223348,COC(=O)C1(c2cc(-c3ccc4c(c3)C(=O)NC4)ccc2-c2cc(C#N)nc(C(C)C)c2)CCC(=O)CC1,SHSFUWNFZATAGR-UHFFFAOYSA-N
-rxn:5:178295:227505:223062,COC(=O)C1(c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)CCC(=O)CC1,SIHYMBNZWWGPPV-SFQUDFHCSA-N
-rxn:5:178295:227673:227941,COCc1cc(C)cc(-c2ccc(-c3cccc(C(C)(F)F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,GJJSRYMBJGLQQF-UHFFFAOYSA-N
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-rxn:5:178295:228252:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3c(OC)ccc(C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,KMILLUBCZSMBHE-UHFFFAOYSA-N
-rxn:5:178295:228419:227071,COCc1cc(C)c(-c2ccc(-c3cc(F)c(SC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,PGYDGHQCEAUBLV-UHFFFAOYSA-N
-rxn:5:178295:228562:226761,CCC(C)c1csc(-c2ccc(-c3ccc(SC)cc3C(F)(F)F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UEUKARCLKGBDAH-UHFFFAOYSA-N
-rxn:5:178295:229065:223006,COC(=O)C1(c2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2-c2ccnc(C#N)c2)CCC(=O)CC1,YSZLGCHRPOSMSL-UHFFFAOYSA-N
-rxn:5:178313:225450:226062,CC(C)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C(=O)C3CCCC3)cc2)cc(C(C)C)c1,FJSFLEGXPNWPBO-UHFFFAOYSA-N
-rxn:5:178313:225498:227067,COc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cc(C3CCCCC3)ccc2F)c(C2CC2)c1,HGYACVGHYZEBHI-UHFFFAOYSA-N
-rxn:5:178313:227089:225453,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccncc2C2CCCC2)c(-c2cccc(SC3CCCCC3)c2)c1,JMXACEZQGMPMQJ-UHFFFAOYSA-N
-rxn:5:178314:225394:223203,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1-c1cccc(C2(O)CCC2)c1,QNEXPNXLSILXCZ-UHFFFAOYSA-N
-rxn:5:178314:225407:227408,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCCC3)cc2)ccc1-c1cc(C2CCC2)ncc1F,TZUKQSKXVJYNBV-UHFFFAOYSA-N
-rxn:5:178314:225450:228002,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C3CCCC3)cc2)ccc1-c1sccc1C1CCCC1,ZGMLHJQZWHSSDN-UHFFFAOYSA-N
-rxn:5:178314:226069:225394,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3CCCCC3)c2)ccc1-c1cc(C2CCC2)cc(C2CC2)c1,OPHYDDIDNJNYDJ-UHFFFAOYSA-N
-rxn:5:178314:226181:226069,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCCC3)nc2)ccc1-c1cccc(C2CCCCC2)c1,HULQKKVXEOXJNB-UHFFFAOYSA-N
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-rxn:5:178466:225980:225655,CC1CCN(c2cncc(-c3c(C(=O)OC(C)C)sc4cc(-c5cc(N6CCOCC6)ncc5F)ccc34)c2)CC1,JUEPGTZRJHDVTJ-UHFFFAOYSA-N
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-rxn:5:178467:223202:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,ODDDZQUVDACUGI-UHFFFAOYSA-N
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-rxn:5:178467:225601:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3ccc(C4(C#N)CCC4)cc3F)c2OC1,JDRFIRHBGUCJLC-UHFFFAOYSA-N
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-rxn:5:178467:225652:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3cncc(N4CCCC(C)C4)c3)c2OC1,MSFWPBHNMGEGEX-UHFFFAOYSA-N
-rxn:5:178467:225672:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3cc(F)nc(C4CCCCC4)c3)c2OC1,BYBSQSYGNUXJNH-UHFFFAOYSA-N
-rxn:5:178467:226374:227292,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(CN(C)C)c3)cc(-c3cncnc3C3CCCCC3)c2OC1,OYGHSWREMPRMSO-UHFFFAOYSA-N
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-rxn:5:178467:226679:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,JPPRSVSMUDXEFF-UHFFFAOYSA-N
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-rxn:5:178467:226794:227297,CCOC(=O)C1=Cc2cc(-c3cc(CN(C)C)ccc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,DYOYTKMWJHJTFP-UHFFFAOYSA-N
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-rxn:5:178467:227321:226664,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCC4)ncc3F)cc(-c3cncc(C4CC4)c3OC)c2OC1,RDXQGPFLMRWZCN-UHFFFAOYSA-N
-rxn:5:178467:227376:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,TYXSDSDDTWYDAN-UHFFFAOYSA-N
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-rxn:5:178467:227387:225631,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)cc3)cc(-c3ccnc(N4CCCC4)c3)c2OC1,NYTSILCZNMIZRG-UHFFFAOYSA-N
-rxn:5:178467:227387:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccnc(N4CCCC4)c3)c2OC1,ACNBMXOUIPXYNB-UHFFFAOYSA-N
-rxn:5:178467:227507:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,IWFJFBXHHYAISM-UHFFFAOYSA-N
-rxn:5:178467:227710:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,GTFHDVXRNQZYNN-UHFFFAOYSA-N
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-rxn:5:178467:228097:225672,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCCC4)c3)cc(-c3cncc(CN(C)C)c3)c2OC1,CHBABUCDDPLBNG-UHFFFAOYSA-N
-rxn:5:178467:228193:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cnn(C4CCCC4)c3)c2OC1,GYSFGXHHDOFQOE-UHFFFAOYSA-N
-rxn:5:178467:228200:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccnn3C3CCCC3)c2OC1,KXUJXNWYLVXFMG-UHFFFAOYSA-N
-rxn:5:178467:228339:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3ccncc3C(=O)OC)c2OC1,FTMBHNRQAJNLSR-UHFFFAOYSA-N
-rxn:5:178467:228457:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cnc(C(=O)OC)nc3)c2OC1,JIBDRPONBPVVKU-UHFFFAOYSA-N
-rxn:5:178467:228457:226661,CCOC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3cnc(C(=O)OC)nc3)c2OC1,DUERGGMWYZDYQJ-UHFFFAOYSA-N
-rxn:5:178467:228653:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnn4c3CCCC4)c2OC1,CLIHYFHHDPBQJD-UHFFFAOYSA-N
-rxn:5:178467:228703:225784,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3cnn(C4CCC4)c3)c2OC1,NSRUQCDNESRVQE-UHFFFAOYSA-N
-rxn:5:178467:228966:223054,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)N4CCC(O)C4)s3)cc(-c3cncc([N+](=O)[O-])c3)c2OC1,NBJCVGAVUOTXDL-UHFFFAOYSA-N
-rxn:5:178467:228974:225806,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCCC4)cc3F)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,UNSXEMIWYFWDMX-UHFFFAOYSA-N
-rxn:5:179629:225799:226583,COc1ccc(-c2cncc(OC3CCOCC3)c2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,OCXPPYMOVNBFNZ-UHFFFAOYSA-N
-rxn:5:180092:225982:225834,C[Si](C)(C)C#Cc1cc(-c2cnc(N3CCOCC3)cc2F)cc(-c2cc(N3CCCCC3)ncc2F)c1,RAOVHKUKFZNEQC-UHFFFAOYSA-N
-rxn:5:180402:225988:226572,O=C(c1ccc(-c2c(F)cc(C3OCCO3)cc2F)cc1-c1cnc(OC2CCCC2)nc1)C1CCCCC1,XQWLVIPSLXDYFB-UHFFFAOYSA-N
-rxn:5:180422:225514:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1cccc2c1OCC1(CC1)CO2,QHUOQCKSAXJBRW-UHFFFAOYSA-N
-rxn:5:180662:225631:226661,COC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3ccc(N4CCN(C)CC4)cc3)c2OC1,UHTOBQLRDAGQCD-UHFFFAOYSA-N
-rxn:5:180662:226148:223139,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,QEUODQWAYLEMIH-UHFFFAOYSA-N
-rxn:5:180662:226414:226662,COC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccc(C4=NCCCO4)cc3)c2OC1,CWJSDGYOAUIELH-UHFFFAOYSA-N
-rxn:5:180662:226794:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,NFJLRQJQDRDJSO-UHFFFAOYSA-N
-rxn:5:180662:227029:223062,COC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccccc3C(C)(C)C#N)c2OC1,UGQPUPYGEPHAOP-UHFFFAOYSA-N
-rxn:5:180662:227495:225976,CCN(C)c1cc(-c2cc(-c3ccnc(N4CCOCC4)c3F)cc3c2OCC(C(=O)OC)=C3)c(F)cn1,VAJCGFOQIUMSPS-UHFFFAOYSA-N
-rxn:5:180662:227495:225982,CCN(C)c1cc(-c2cc(-c3cnc(N4CCOCC4)cc3F)cc3c2OCC(C(=O)OC)=C3)c(F)cn1,SFRMOUVARFTNEM-UHFFFAOYSA-N
-rxn:5:180662:227803:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,HUYLLKFFMGOZBC-UHFFFAOYSA-N
-rxn:5:181624:225674:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCCCC3)cc2F)ccc1C1OCCO1,OVNCZJVINWRZDR-UHFFFAOYSA-N
-rxn:5:181628:225832:226330,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C(C)N3CCCC3)s2)c(C2OCCO2)c1,GAWXVLCIFVOMGC-UHFFFAOYSA-N
-rxn:5:181906:225832:226187,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cccc(C2CCOCC2)c1,BZPMIBZVJMKTOH-UHFFFAOYSA-N
-rxn:5:181907:225407:225832,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,LEQZQPGUWOXKJW-UHFFFAOYSA-N
-rxn:5:181907:225588:225683,Cc1cc(-c2ccccc2CN2CCSCC2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,HFFBRBRZVAXEJO-UHFFFAOYSA-N
-rxn:5:181907:226652:225514,Cc1cc(-c2cc(C)nn2C2CCCCO2)c(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1,YOOFKPCNFXHFHJ-UHFFFAOYSA-N
-rxn:5:181908:222989:226686,Cc1cc(N2CCNCC2)ccc1-c1cc(C)c(C2OCCO2)cc1-c1c(C)cnn1C1CCCCO1,ZJWAWYFROIYJEX-UHFFFAOYSA-N
-rxn:5:181908:225831:226686,Cc1cc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2c(C)cnn2C2CCCCO2)cc1C1OCCO1,SWUBKZFPJFOTTA-UHFFFAOYSA-N
-rxn:5:182009:226382:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(C3CCCCC3)nc2)c(C2CCOCC2)c1,RIRDVUOYHIQSMU-UHFFFAOYSA-N
-rxn:5:183189:225819:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc2c(c(-c3cc(C(F)(F)F)ccc3C3CC3)c1)OC(C)(C)OC2,ZZPZEKJBMDBHHJ-UHFFFAOYSA-N
-rxn:5:188253:225815:225450,COC(=O)c1cc(C#N)cc(-c2ccc(C3CC3)cc2C(F)(F)F)c1-c1ccc(C(=O)C2CCCC2)cc1,AZUAHAQBMSXPNK-UHFFFAOYSA-N
-rxn:5:188787:226036:226042,COc1c(F)cc(C(F)(F)F)cc1-c1cc([N+](=O)[O-])c(OC2CC2)cc1-c1ccc([N+](=O)[O-])cc1C(F)(F)F,MDMFBFSQALKQIL-UHFFFAOYSA-N
-rxn:5:188872:222996:222989,CON(C)C(=O)c1cc(-c2ccc(F)cc2C2CCCNC2)ccc1-c1ccc(N2CCNCC2)cc1C,WTHUCLIOKMYNDU-UHFFFAOYSA-N
-rxn:5:188872:223001:222989,CON(C)C(=O)c1cc(-c2cc(C3CCCNC3)ccc2F)ccc1-c1ccc(N2CCNCC2)cc1C,XIWHNCUFOIGSDX-UHFFFAOYSA-N
-rxn:5:188872:223002:222989,CON(C)C(=O)c1cc(-c2ccc(C3CCNCC3)cc2F)ccc1-c1ccc(N2CCNCC2)cc1C,OAEKFQHPETZBFP-UHFFFAOYSA-N
-rxn:5:188872:223004:222989,CON(C)C(=O)c1cc(-c2ccc(C3CCNCC3)c(F)c2)ccc1-c1ccc(N2CCNCC2)cc1C,DDBDMECWCFMQAZ-UHFFFAOYSA-N
-rxn:5:188872:223006:222989,CON(C)C(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)ccc1-c1ccc(N2CCNCC2)cc1C,YWKSKHZMILCCTH-UHFFFAOYSA-N
-rxn:5:188872:223008:222989,CON(C)C(=O)c1cc(-c2cc(C3CCNCC3)ccc2F)ccc1-c1ccc(N2CCNCC2)cc1C,OTIVQDCRMLADPI-UHFFFAOYSA-N
-rxn:5:188873:222987:223065,CON(C)C(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1ccc(C2CCNCC2)nc1C,CEDLASZOXKDBEU-UHFFFAOYSA-N
-rxn:5:188873:222996:222989,CON(C)C(=O)c1cc(-c2ccc(N3CCNCC3)cc2C)ccc1-c1ccc(F)cc1C1CCCNC1,HOUJEQWBJAIMMH-UHFFFAOYSA-N
-rxn:5:188873:223001:222989,CON(C)C(=O)c1cc(-c2ccc(N3CCNCC3)cc2C)ccc1-c1cc(C2CCCNC2)ccc1F,SANDEZSXLLSSKX-UHFFFAOYSA-N
-rxn:5:188874:222987:223065,CON(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1ccc(C2CCNCC2)nc1C,IXHXWYBECRSZNK-UHFFFAOYSA-N
-rxn:5:188874:222996:222989,CON(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2C)cc1-c1ccc(F)cc1C1CCCNC1,JBUXUYIBFWHSFY-UHFFFAOYSA-N
-rxn:5:188874:223000:222989,CON(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2C)cc1-c1ccc(C2CCCNC2)c(F)c1,ZGWQDTSPKUXLOM-UHFFFAOYSA-N
-rxn:5:188874:223001:222989,CON(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2C)cc1-c1cc(C2CCCNC2)ccc1F,HKKXDFXNYGXRLF-UHFFFAOYSA-N
-rxn:5:188874:223002:222989,CON(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2C)cc1-c1ccc(C2CCNCC2)cc1F,UOACOKIUYZKRLU-UHFFFAOYSA-N
-rxn:5:188874:223004:222989,CON(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2C)cc1-c1ccc(C2CCNCC2)c(F)c1,LUIBBUUUTFFLMP-UHFFFAOYSA-N
-rxn:5:188874:223063:223007,CON(C)C(=O)c1ccc(-c2cc(F)cc(C3CCNCC3)c2)cc1-c1cc(F)nc(C2CCNCC2)c1,BEEAVSSQKPMMPR-UHFFFAOYSA-N
-rxn:5:188876:222996:222989,CON(C)C(=O)c1cccc(-c2ccc(F)cc2C2CCCNC2)c1-c1ccc(N2CCNCC2)cc1C,OCHDSOWRQCDSME-UHFFFAOYSA-N
-rxn:5:188876:223000:222989,CON(C)C(=O)c1cccc(-c2ccc(C3CCCNC3)c(F)c2)c1-c1ccc(N2CCNCC2)cc1C,CWOKSDNFESKNNQ-UHFFFAOYSA-N
-rxn:5:188876:223004:222989,CON(C)C(=O)c1cccc(-c2ccc(C3CCNCC3)c(F)c2)c1-c1ccc(N2CCNCC2)cc1C,PSTIRYONWAPMSM-UHFFFAOYSA-N
-rxn:5:188876:223006:222989,CON(C)C(=O)c1cccc(-c2ccc(F)c(C3CCNCC3)c2)c1-c1ccc(N2CCNCC2)cc1C,GBXBNIVNRSMVLS-UHFFFAOYSA-N
-rxn:5:188930:225655:226174,COC(=O)c1cc(S(N)(=O)=O)c(-c2cncc(N3CCC(C)CC3)c2)cc1-c1ccc(C2CCCCC2)nc1,VTJIPNIHOVKFFZ-UHFFFAOYSA-N
-rxn:5:188930:226649:223138,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)cc1-c1ccnc(C2CCNCC2)c1,UFUHAOMGFJPQCN-UHFFFAOYSA-N
-rxn:5:188931:225636:223062,COC(=O)c1cc(-c2ccnc(N3CCC(C)CC3)c2)cc(S(N)(=O)=O)c1-c1cnc(C2CCNCC2)cc1F,ABHAHFPUWKUAMS-UHFFFAOYSA-N
-rxn:5:188931:225636:223064,COC(=O)c1cc(-c2ccnc(N3CCC(C)CC3)c2)cc(S(N)(=O)=O)c1-c1ccc(C2CCNCC2)nc1F,PYRANCWNWSSYIO-UHFFFAOYSA-N
-rxn:5:188931:225638:223062,COC(=O)c1cc(-c2ccc(N3CCC(C)CC3)nc2)cc(S(N)(=O)=O)c1-c1cnc(C2CCNCC2)cc1F,NKARYGMJDBBGIN-UHFFFAOYSA-N
-rxn:5:188931:225638:223064,COC(=O)c1cc(-c2ccc(N3CCC(C)CC3)nc2)cc(S(N)(=O)=O)c1-c1ccc(C2CCNCC2)nc1F,XQPIJAPIKSCSEV-UHFFFAOYSA-N
-rxn:5:188931:225641:223062,COC(=O)c1cc(-c2ccnc(N3CCCC(C)C3)c2)cc(S(N)(=O)=O)c1-c1cnc(C2CCNCC2)cc1F,QFHVIRKQVXDITR-UHFFFAOYSA-N
-rxn:5:188931:225641:223064,COC(=O)c1cc(-c2ccnc(N3CCCC(C)C3)c2)cc(S(N)(=O)=O)c1-c1ccc(C2CCNCC2)nc1F,NZWVEJZHFLKKOY-UHFFFAOYSA-N
-rxn:5:188931:225654:223062,COC(=O)c1cc(-c2ccc(N3CCCC(C)C3)nc2)cc(S(N)(=O)=O)c1-c1cnc(C2CCNCC2)cc1F,RJXBSDNAURXFDB-UHFFFAOYSA-N
-rxn:5:188931:226341:225871,COC(=O)c1cc(-c2cc(C(C)C)c(F)cc2OC)cc(S(N)(=O)=O)c1-c1cccc(N2C(=O)C=CC2=O)c1,QKWRKUOVBPTSQY-UHFFFAOYSA-N
-rxn:5:188932:223135:223139,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,ZDSGWEKGQBWQDX-UHFFFAOYSA-N
-rxn:5:188932:223135:223147,COC(=O)c1cc(-c2ccc(C3CNCCO3)cc2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,GLCDUPLLGVXJDR-UHFFFAOYSA-N
-rxn:5:188932:225636:223062,COC(=O)c1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(N)(=O)=O)c(-c2cnc(C3CCNCC3)cc2F)c1,WLRCPFHGZJRSLL-UHFFFAOYSA-N
-rxn:5:188932:225636:223064,COC(=O)c1cc(-c2ccnc(N3CCC(C)CC3)c2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2F)c1,YUSGWQULYAUCCB-UHFFFAOYSA-N
-rxn:5:188932:225652:226177,COC(=O)c1cc(-c2cncc(N3CCCC(C)C3)c2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCCC3)c2)c1,YOHQVWUQGNLVSW-UHFFFAOYSA-N
-rxn:5:188932:225655:226174,COC(=O)c1cc(-c2ccc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cncc(N3CCC(C)CC3)c2)c1,JNYDZLWVRMDBNZ-UHFFFAOYSA-N
-rxn:5:188932:225655:226179,COC(=O)c1cc(-c2cncc(C3CCCCC3)c2)c(S(N)(=O)=O)c(-c2cncc(N3CCC(C)CC3)c2)c1,GIAZTDBBYLEGTB-UHFFFAOYSA-N
-rxn:5:188932:226139:226382,COC(=O)c1cc(-c2cnc(C3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)c1,CQKBIOBAROEKOU-UHFFFAOYSA-N
-rxn:5:188932:226182:226440,COC(=O)c1cc(-c2cc(F)nc(C3CCCC3)c2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCCC2)c1,MCCCULQGPVPHER-UHFFFAOYSA-N
-rxn:5:188932:226183:226440,COC(=O)c1cc(-c2cc(F)nc(C3CCCC3)c2)c(S(N)(=O)=O)c(-c2cnccc2C2CCCCC2)c1,WEGNUUVVOXYCAS-UHFFFAOYSA-N
-rxn:5:189000:225868:226747,CCc1ncc(-c2cc([N+](=O)[O-])c(OC(C)C)cc2-c2ccc(N3CCOCC3)c(F)c2)cc1C(F)(F)F,MGNJOZLWFQGTKK-UHFFFAOYSA-N
-rxn:5:189078:226662:223065,CCN(C)C(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1-c1ccc(N2CCNCC2)cc1F,XKXUHGXGLULCQP-UHFFFAOYSA-N
-rxn:5:189079:226661:222998,CCN(C)C(=O)c1ccc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2cc(N3CCN(C)CC3)cs2)c1,HNNTZTULIRJQHM-UHFFFAOYSA-N
-rxn:5:189079:226662:222996,CCN(C)C(=O)c1ccc(-c2ccc(F)cc2C2CCCNC2)c(-c2ccc(N3CCN(C)CC3)s2)c1,VPGRMIABGCWOQJ-UHFFFAOYSA-N
-rxn:5:189079:226662:222998,CCN(C)C(=O)c1ccc(-c2cc(F)cc(C3CCCNC3)c2)c(-c2ccc(N3CCN(C)CC3)s2)c1,FTVCZOAZZWQGSI-UHFFFAOYSA-N
-rxn:5:189083:225976:225976,CCN(C)C(=O)c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1ccnc(N2CCOCC2)c1F,SWFQUSAZPIOHKX-UHFFFAOYSA-N
-rxn:5:189083:225982:225976,CCN(C)C(=O)c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1ccnc(N2CCOCC2)c1F,KJCVYFXMPJHODD-UHFFFAOYSA-N
-rxn:5:189083:226662:222998,CCN(C)C(=O)c1cccc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cc(F)cc(C2CCCNC2)c1,NKGVIKCEULEWMZ-UHFFFAOYSA-N
-rxn:5:189209:228102:226412,CC(C)Cc1ncncc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(F)cc(N3CCCC3)c2)c1,NVLWRMLYHWECOR-UHFFFAOYSA-N
-rxn:5:189211:227085:227517,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C3CCCC3)nc2)c1-c1ccc(OC2COC2)nc1,NXPWEULDRCVNBA-UHFFFAOYSA-N
-rxn:5:189320:226191:225879,CC(C)(C)OC(=O)c1cnc(-c2ccc(N3CCOCC3)cc2F)c(-c2cc(C3CCCC3)ccc2F)c1,PGXGHDWVPVSLDC-UHFFFAOYSA-N
-rxn:5:189448:223138:227803,COC1CN(C(=O)c2ccc(-c3ccnc(C4CCNCC4)c3)c(-c3ccnn3S(=O)(=O)N(C)C)c2)C1,PPVGDQVKEOHYSL-UHFFFAOYSA-N
-rxn:5:189448:226346:225987,COC1CN(C(=O)c2ccc(-c3cc(C)cc(OC(C)C)c3F)c(-c3ccc(N4CCCS4(=O)=O)cc3)c2)C1,KTYPIKRGFNQLIC-UHFFFAOYSA-N
-rxn:5:189449:226342:225507,COC(=O)c1c(C)cc(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)cc2C(=O)N2CC(OC)C2)cc1C,YUPRFLXWRCJZJZ-UHFFFAOYSA-N
-rxn:5:189664:225499:226144,C[Si](C)(C)C#Cc1ccc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2CC(=O)N2CCCC2)cc1,CLHVMLBTSQZARL-UHFFFAOYSA-N
-rxn:5:189668:227293:222991,CC(C)(C)Oc1cncc(-c2cc(-c3ccc(N4CCCC(O)C4)cc3)ccc2CC(=O)N2CCCC2)c1,OCJXXUKBKNSSOZ-UHFFFAOYSA-N
-rxn:5:189673:225499:226907,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCC3)cc2F)cc1-c1cccc2c1CCC21CC1,SWEUGTNOFNPUEE-HPNXWYHWSA-N
-rxn:5:189910:225976:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1CCN1CCOCC1,VVUNUDAYIBLZPB-UHFFFAOYSA-N
-rxn:5:189952:222417:223006,COc1c(-c2ccc(F)c(C3CCNCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,FCDYSQNXTPEUTJ-UHFFFAOYSA-N
-rxn:5:189952:226364:222417,COc1c(-c2ccc(N3CCCCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,LJHVJWAPVFTRLC-UHFFFAOYSA-N
-rxn:5:189952:226762:227088,COc1c(-c2cc(SC)cc(C(F)(F)F)c2)cc(C(=O)N2CCOCC2)cc1-c1cc(C)nc(C(C)(C)C)c1,GMIPFQURCRJOLH-UHFFFAOYSA-N
-rxn:5:190001:225498:227073,COc1cc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cc(C3CCCCC3)ccc2F)cc(C2CC2)c1,CUFMBTIBUXWEJB-UHFFFAOYSA-N
-rxn:5:190127:225886:226189,COC1CCN(C(=O)c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(C3CCCC3)c(F)c2)CC1,AUDBBXGXTYRTMY-UHFFFAOYSA-N
-rxn:5:190127:226338:228182,COC1CCN(C(=O)c2cc(-c3ccnc(OC4CCCC4)c3)ccc2-c2cccc(CC(F)F)c2)CC1,JRXFIJKKXMTYDS-UHFFFAOYSA-N
-rxn:5:190128:228126:225453,COc1ccc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cccc(SC3CCCCC3)c2)c(C#N)c1,DKEJDSBGNNAQLA-UHFFFAOYSA-N
-rxn:5:190131:226341:225886,COc1cc(F)c(C(C)C)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c1OC,RJKCHSCADXWBGI-UHFFFAOYSA-N
-rxn:5:190131:227613:227899,CCC#Cc1cncc(-c2cc(C(=O)N3CCCCC3)cc(-c3cnn(C4CCOCC4)c3)c2OC)c1,JMOGUUPYEPYCSZ-UHFFFAOYSA-N
-rxn:5:190132:225607:226736,COC1CCN(C(=O)c2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2-c2ccc(C(F)(F)F)cc2C#N)CC1,PBKUWXARENROBK-UHFFFAOYSA-N
-rxn:5:190194:225603:225886,COC1CCN(Cc2cccc(-c3cccc(C4(C#N)CCC4)c3F)c2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,CIQBEDIAADRQHG-UHFFFAOYSA-N
-rxn:5:190195:222417:225784,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(CN2CCOCC2)nc1,UOOQGBMUTBGKRH-UHFFFAOYSA-N
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-rxn:5:190484:227029:225671,CC(C)(C#N)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C4CCCCC4)ncc3F)S(=O)(=O)CC2)c1,FRWGUBKRJYHBHA-UHFFFAOYSA-N
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-rxn:5:190484:227525:227076,CCc1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)CC)ccc3F)S(=O)(=O)CC2)c1,WLKNQSRVDNVHKP-UHFFFAOYSA-N
-rxn:5:190484:227823:227419,CC(C)(C)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C4CCC4)nc3F)S(=O)(=O)CC2)c1,IZPLZKCHAGEKRM-UHFFFAOYSA-N
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-rxn:5:190742:225803:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(OC4CCOCC4)c3)c2c1-c1cnc(C2CCNCC2)cc1F,VZHNBFHYXQLNQI-UHFFFAOYSA-N
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-rxn:5:190744:225631:223065,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)cc3)c(C)ccc2c1-c1ccc(N2CCNCC2)cc1F,PBPBKBXOEMYLMH-UHFFFAOYSA-N
-rxn:5:190744:225632:223065,CCOC(=O)c1cnc2c(-c3cccc(N4CCN(C)CC4)c3)c(C)ccc2c1-c1ccc(N2CCNCC2)cc1F,TZTHVEMQYQILDF-UHFFFAOYSA-N
-rxn:5:190744:225833:225976,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,XLGDJUSFOOMFDK-UHFFFAOYSA-N
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-rxn:5:190744:225834:225454,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccc(C2=CCN(C)CC2)cc1,XUVPOZDUANZTNT-UHFFFAOYSA-N
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-rxn:5:190833:223231:226603,CNC(=O)c1ccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3C)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)cc1C,JGBVROKTQAGEHO-UHFFFAOYSA-N
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-rxn:5:190859:227054:226320,COc1cc(-c2ccc3c(c2-c2cc(C4(C#N)CC4)ccc2F)CCN3C(=O)OC(C)(C)C)ccc1C1CC1,PAOZCIANFRNAFT-UHFFFAOYSA-N
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-rxn:5:191026:227076:227592,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(F)cc(OC)c4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,AFYTZSYKIGEPGR-UHFFFAOYSA-N
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-rxn:5:191049:228897:223062,COc1cc(N2Cc3cc(-c4cc(F)cnc4OC)ccc3OCC2=O)c(OC)cc1-c1cnc(C2CCNCC2)cc1F,BCPRFNBBBZIIEZ-UHFFFAOYSA-N
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-rxn:5:192570:225601:223007,N#CC1(c2ccc(-c3ccc(C(=O)N4CCC4)cc3-c3cc(F)cc(C4CCNCC4)c3)c(F)c2)CCC1,JCBABRDVGMACGO-UHFFFAOYSA-N
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-rxn:5:193226:223061:225590,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(CN3CCCC3)c(F)c2)c1)N1CCOCC1,RQIZRFYPPMTTHH-UHFFFAOYSA-N
-rxn:5:193228:226662:227291,CN(C)Cc1ccc(-c2cc(C(=O)N3CCSCC3)cc(-c3ccc(N4CCN(C)CC4)s3)c2)cc1F,RNXMIGGQDVACOW-UHFFFAOYSA-N
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-rxn:5:193229:223065:225655,CC1CCN(c2cncc(-c3c(C(=O)N4CCOCC4)cccc3-c3ccc(N4CCNCC4)cc3F)c2)CC1,CXVZNCRZNHDNEB-UHFFFAOYSA-N
-rxn:5:193229:225881:223006,O=C(c1cccc(-c2ccc(C3CCOCC3)nc2F)c1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,XUIZNBVFZZCLDB-UHFFFAOYSA-N
-rxn:5:193229:225978:227316,CC(C)Cc1cc(-c2c(C(=O)N3CCOCC3)cccc2-c2ccc(N3CCOCC3)nc2F)cc(F)n1,ZSCKOWYNCYMSBY-UHFFFAOYSA-N
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-rxn:5:193337:226686:226174,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCCCC3)nc2)c(CN2CCOCC2)c1,ODROEIPHNSFUMA-UHFFFAOYSA-N
-rxn:5:193337:226686:226176,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccncc2C2CCCCC2)c(CN2CCOCC2)c1,LXRWBAYCHJLBOX-UHFFFAOYSA-N
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-rxn:5:193506:227279:226794,CC(C)n1nc(C2CC2)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnc(N3CCSCC3)nc2)c1,JBOBXUDJUZIWPS-UHFFFAOYSA-N
-rxn:5:193506:227296:222960,Cc1cc(-c2cc(-c3ccc(OC4CCC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc(C2CCNCC2)c1,FQCXEKXSACRRPV-UHFFFAOYSA-N
-rxn:5:193598:225987:223384,CNC(=O)c1ccc(-c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3)cc2C(=O)N2CCOC(C)C2)cn1,LRAJCZSXGDVYTN-UHFFFAOYSA-N
-rxn:5:193750:225886:225452,CC1CCN(C(=O)c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(OC3C=CCCC3)cc2)CC1,ALINFJJVPXYCND-UHFFFAOYSA-N
-rxn:5:193752:225450:225886,CC1CCCN(C(=O)c2ccc(-c3ccc(C(=O)C4CCCC4)cc3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,IPRYOPQYKVTUOM-UHFFFAOYSA-N
-rxn:5:193752:225934:227113,Cc1cc(F)c(C2CC2)cc1-c1cc(C(=O)N2CCCC(C)C2)ccc1-c1cnc(C(F)(F)F)c(C2CC2)c1,YPUCTIARJSCVAT-UHFFFAOYSA-N
-rxn:5:193755:225886:225591,CC1CCCN(C(=O)c2cccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2-c2cc(CN3CCCC3)ccc2F)C1,KTALTBSFUWXMFJ-UHFFFAOYSA-N
-rxn:5:193755:227559:225456,Cc1ccc(-c2cccc(C(=O)N3CCCC(C)C3)c2-c2ccc(C3CCN(C)CC3)cc2)cc1OC(F)F,BTKSUOJPPVEFAY-UHFFFAOYSA-N
-rxn:5:193866:228447:226144,C[Si](C)(C)C#Cc1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cccc(C(F)F)c2F)cc1,DIGWZGJSUUCGNM-UHFFFAOYSA-N
-rxn:5:193868:225597:222421,CC1CN(C(=O)c2cc(-c3ccc(OC4CCCCC4)nc3)ccc2-c2cncc(S(N)(=O)=O)c2)CC(C)O1,QRGBRNZCWORWFM-UHFFFAOYSA-N
-rxn:5:193869:227587:227094,COc1cc(-c2cc(C)c(-c3cnccc3C3CCCC3)cc2S(=O)(=O)N2CCCCC2)cc(F)c1OC,YXTYVZFQFFNMBI-UHFFFAOYSA-N
-rxn:5:193870:226748:225929,COc1cc(C(F)(F)F)ccc1-c1cc(-c2ccc(S(=O)(=O)N(C)C)c(C)c2)c(S(=O)(=O)N2CCCCC2)cc1C,BRCDATIHVHTMRM-UHFFFAOYSA-N
-rxn:5:193870:228292:223183,CNS(=O)(=O)c1ccc(-c2cc(-c3ccnc4c3OCCO4)c(C)cc2S(=O)(=O)N2CCCCC2)c(C)c1,UUPXVDHONSVXKL-UHFFFAOYSA-N
-rxn:5:193871:223345:226182,O=C1Cc2cccc(-c3cc(C(=O)N4CCC5(CC4)CC5)ccc3-c3cccnc3C3CCCCC3)c2N1,QFXYOFRLQJFZBL-UHFFFAOYSA-N
-rxn:5:193871:225640:222405,CC1CCCCN1c1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cccc(C3NC(=O)NC3=O)c2)ccn1,RUHUXJWFUNFGNR-UHFFFAOYSA-N
-rxn:5:193871:225880:227205,O=C(c1ccc(-c2cccc3c2OCCCO3)c(-c2cc(C3CCOCC3)ncc2F)c1)N1CCC2(CC1)CC2,KFFQRCTUXLNIKA-UHFFFAOYSA-N
-rxn:5:193871:227745:226366,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2)c(-c2ccc(C(F)(F)F)c(F)c2)c1)N1CCC2(CC1)CC2,XVUQLZDYBIDPDB-UHFFFAOYSA-N
-rxn:5:193932:226346:226186,Cc1cc(OC(C)C)c(F)c(-c2cc(C(=O)N3CC(C)CC(C)C3)ccc2-c2ccccc2C2CCOCC2)c1,SQCIFKOTJRAOIU-UHFFFAOYSA-N
-rxn:5:193932:227449:226158,CC1CC(C)CN(C(=O)c2ccc(-c3ccccc3N3CCCCC3)c(-c3ccc(C4CCOCC4)s3)c2)C1,PPIYQAVKJCNQNK-UHFFFAOYSA-N
-rxn:5:193967:225932:228222,CC(C)c1cc(-c2cc(-c3ccc(N(C)C)c(C(F)(F)F)c3)ccc2CN2CCC3(CC2)OCCO3)cc(F)n1,NGDBHCCWQGMQDA-UHFFFAOYSA-N
-rxn:5:193967:227897:227804,N#CC=Cc1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])c2)c1,JBNVYCKGYAZXET-UHFFFAOYSA-N
-rxn:5:193968:225462:227152,Cc1nn(C)c2cccc(-c3ccc(-c4cccc(N5CCC(C)CC5)c4)cc3CN3CCC4(CC3)OCCO4)c12,DAAOTPRXPDOAFY-UHFFFAOYSA-N
-rxn:5:193972:227808:227052,Cc1cc(-c2ccc3c(c2)CCCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(SC(C)(C)C)cc1,ZGZVYEQKEGDZGC-UHFFFAOYSA-N
-rxn:5:193972:228491:222980,Cc1cc(-c2cn(C)c(=O)n(C)c2=O)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(CN2CCNCC2)cc1,UWGFSOOVYVETRT-UHFFFAOYSA-N
-rxn:5:193972:229009:226469,Cc1cc(-c2cc(C3CC3)cs2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)N(C)C(=O)CO2,LVQSVGQGTSGMRV-UHFFFAOYSA-N
-rxn:5:193972:229011:226469,Cc1cc(-c2ccc(C3CC3)s2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc2c(c1)N(C)C(=O)CO2,JKUZUJYAEAZBCH-UHFFFAOYSA-N
-rxn:5:194058:223054:226571,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnn(CC3CCOCC3)c2)s1)N1CCC(O)C1,RYBTVNXFTZDMKE-UHFFFAOYSA-M
-rxn:5:194058:223062:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(C3CCNCC3)cc2F)s1)N1CCOCC1,OLBPMSRRPVCMMG-UHFFFAOYSA-M
-rxn:5:194058:223062:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cnc(C2CCNCC2)cc1F,VZXVPQSWVOMVAJ-UHFFFAOYSA-M
-rxn:5:194058:225805:225640,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(N3CCCCC3C)c2)s1)N1CCOCC1,VGYAGYCVOUKKGW-UHFFFAOYSA-M
-rxn:5:194058:225832:223062,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1cnc(C2CCNCC2)cc1F,QBVNIRLGJBEQFT-UHFFFAOYSA-M
-rxn:5:194058:225832:223064,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C2CCNCC2)nc1F,FKXLALJQHNGNES-UHFFFAOYSA-M
-rxn:5:194058:225881:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3CCOCC3)nc2F)s1)N1CCC(O)C1,XMGAHFHJVRYDJU-UHFFFAOYSA-M
-rxn:5:194058:226424:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cc(N2CCCC(C)C2)cs1,LELQEFUQRYYJEU-UHFFFAOYSA-M
-rxn:5:194058:226425:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(N2CCCCC2C)s1,YNSCJPUZSUZENN-UHFFFAOYSA-M
-rxn:5:194058:226429:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(N2CCCC(C)C2)s1,VYKMNASPSCZETP-UHFFFAOYSA-M
-rxn:5:194058:226654:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1csc(N2CCC(C)CC2)n1,VYCBTPWBIOAXPF-UHFFFAOYSA-M
-rxn:5:194575:226757:225833,Cc1cc(-c2ccccc2S(=O)(=O)N2CCc3sc(-c4ccnc(N5CCCCC5)c4F)cc3C2)ccc1OC(F)(F)F,OWIBWKXSASZKDB-UHFFFAOYSA-N
-rxn:5:194733:225888:228492,Cc1nc2cc(-c3ccc(-c4c(F)cc(F)c(F)c4F)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)c(F)c(F)c2n1C,IFWOIUZQOUUSBG-UHFFFAOYSA-N
-rxn:5:194733:228923:227983,CSc1ccnc(F)c1-c1ccc(-c2ccccc2[Si](C)(C)C)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,RHYXTLHICBYJOU-UHFFFAOYSA-N
-rxn:5:194767:223061:225982,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(C5CCNCC5)ncc4F)ccc3-c3cnc(N4CCOCC4)cc3F)C2)c2ccccc21,WGWGBJMLLDTKMI-UHFFFAOYSA-N
-rxn:5:194767:223065:228653,O=C1OC2(CCCN(C(=O)c3cc(-c4ccc(N5CCNCC5)cc4F)ccc3-c3cnn4c3CCCC4)C2)c2ccccc21,GXJYTMLDENVZNH-UHFFFAOYSA-N
-rxn:5:194767:226912:223138,Cc1cc(CC(C)C)cc(-c2ccc(-c3ccnc(C4CCNCC4)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c1,NZGYFUPZRDAWEG-UHFFFAOYSA-N
-rxn:5:194767:227316:225976,CC(C)Cc1cc(-c2ccc(-c3ccnc(N4CCOCC4)c3F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc(F)n1,MULOXEVIALWWIQ-UHFFFAOYSA-N
-rxn:5:194782:227426:228475,O=C1CC2(CCN(C(=O)c3cc(-c4ccc(C5CCCO5)nc4)ccc3-c3cccc([N+](=O)[O-])c3F)CC2)Oc2ccccc21,SBBIKSCOYUAWPD-UHFFFAOYSA-N
-rxn:5:194786:226734:225498,CN(C)S(=O)(=O)c1cccc(-c2ccc(-c3cc4c(n3-c3ccc(-c5cc(C6CCCCC6)ccc5F)cc3)CC(C)(C)CC4=O)cc2)c1,BCNDOABNMGNFRW-UHFFFAOYSA-N
-rxn:5:194791:227305:228109,CCc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5cc(C)nc(OC(C)C)c5)C(=O)C34)cc2)cc(C#N)n1,OQPMXFSTWYCZBO-UHFFFAOYSA-N
-rxn:5:194791:228371:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccccc4-c4ccc(F)c(C#N)c4F)C(=O)C23)cc1,ISONKUZVFPRNFA-UHFFFAOYSA-N
-rxn:5:196408:225514:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2=NOCCO2)c(-c2cccc3c2OCC2(CC2)CO3)c1,IRVMEQKSAIIKHN-UHFFFAOYSA-N
-rxn:5:196794:223065:223065,O=C1COCCN1c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1ccc(N2CCNCC2)cc1F,GHCNHWDKSJBOKW-UHFFFAOYSA-N
-rxn:5:196794:225849:225849,O=C1COCCN1c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1-c1cnc(N2CCCCC2)cc1F,QRHSXOOPYDGDGI-UHFFFAOYSA-N
-rxn:5:196858:225684:222957,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCOCC3)nc2C)cc(C2CCCNC2)c1,NERQTHISKZPGTA-UHFFFAOYSA-N
-rxn:5:196859:225633:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCOCC2)c1-c1ccc(N2CCCCCC2)nc1,XRLUUUMGKBKCDX-UHFFFAOYSA-N
-rxn:5:196859:225928:223007,Cc1ccc(-c2c(C3CCOCC3)ccnc2-c2cc(F)cc(C3CCNCC3)c2)cc1S(=O)(=O)N(C)C,RYFAJXYFHJKJFL-UHFFFAOYSA-N
-rxn:5:196919:225655:226175,Cc1cc(N2CCCC2)ccc1-c1cc(-c2cncc(N3CCC(C)CC3)c2)ccc1C1=NC(C)(C)CO1,DOTIEFLAZSIXBO-UHFFFAOYSA-N
-rxn:5:196969:226898:223062,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(C2CCCCC2)cc1-c1cnc(C2CCNCC2)cc1F,GAIBEHNHJOPKRT-UHFFFAOYSA-N
-rxn:5:196969:226898:223064,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(C2CCCCC2)cc1-c1ccc(C2CCNCC2)nc1F,AFCCEHUVKSJSRI-UHFFFAOYSA-N
-rxn:5:196970:222989:226686,Cc1cc(N2CCNCC2)ccc1-c1c(C2CCCCC2)ccnc1-c1c(C)cnn1C1CCCCO1,ZDAYSIGAWFFXMG-UHFFFAOYSA-N
-rxn:5:196970:226665:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cnc(C2CCCOC2)nc1,CDBLLLURWAZVDC-UHFFFAOYSA-N
-rxn:5:196970:226898:223062,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(C2CCCCC2)ccnc1-c1cnc(C2CCNCC2)cc1F,QPRVVNRHYQNULO-UHFFFAOYSA-N
-rxn:5:196971:223062:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(-c2cnc(C3CCNCC3)cc2F)ncc1C1CCCCC1,CSLSJECEXWYMPW-UHFFFAOYSA-N
-rxn:5:197876:223008:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCNCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UVLQIRKULXNZEB-UHFFFAOYSA-N
-rxn:5:197876:225395:228940,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(F)c(F)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,MLFPVUYDTJEKMX-UHFFFAOYSA-N
-rxn:5:197876:225498:225422,CN(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c2ccccc12,QXOXFZDPQFNBMC-UHFFFAOYSA-N
-rxn:5:197876:225498:226140,COc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WPYBKMHVUNBBDN-UHFFFAOYSA-N
-rxn:5:197876:225498:226923,Cc1cc(C2CC2)c(C)cc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PJEWIGAEHPOUIR-UHFFFAOYSA-N
-rxn:5:197876:225498:227909,CCC(C)c1cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,QMQGCRXYYOLDRD-UHFFFAOYSA-N
-rxn:5:197876:225498:228610,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1,XFQOWUXSLCWUFR-UHFFFAOYSA-N
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-rxn:5:197876:225499:228021,CC(=O)c1cc(C)cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UAOXGVLNJRRQHQ-UHFFFAOYSA-N
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-rxn:5:197876:226761:227910,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(SC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,NPVRLSIWWYVNOI-UHFFFAOYSA-N
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-rxn:5:197876:226768:226061,CSc1ccc(-c2cc3c(cc2-c2cc(C(C)C)cc(C4CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,GHVNQBKMTKLBHD-UHFFFAOYSA-N
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-rxn:5:197876:226847:223203,CSc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cccc(C3(O)CCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,IKHUCGJOJKDIQT-UHFFFAOYSA-N
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-rxn:4:176517:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cc(C(F)(F)F)cc(F)c1C(=O)C(F)(F)F,AEDYIULMUCPZIG-UHFFFAOYSA-N
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-rxn:4:178381:222837,CC(C)(C)NC(=O)Cc1cccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,PZRYFIHYRPRGRK-UHFFFAOYSA-N
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-rxn:4:178382:224612,CC(C)(C)c1cc(-c2ccc(OCCN3CCOCC3)cc2)cc(C(C)(C)C)c1C(C)(C)C,LUENTKOFXPAQEV-UHFFFAOYSA-N
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-rxn:4:178384:227408,Fc1cnc(C2CCC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,VWSBLIVREITDJL-UHFFFAOYSA-N
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-rxn:4:178384:228168,CCOc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(Cl)c1,HDJMPGYJMNVTEN-UHFFFAOYSA-N
-rxn:4:178384:228946,Fc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1F,OTMKZROROLJAJY-UHFFFAOYSA-N
-rxn:4:178384:229170,Cc1nc(Cl)ncc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,VDIHEMQESIQSEM-UHFFFAOYSA-N
-rxn:4:178423:223559,COC(=O)c1sc2cc(OC)ccc2c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,MVZQIHAPYIHQTL-UHFFFAOYSA-N
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-rxn:4:178597:227937,CC(C)Sc1cccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,ZFZJZYPJIYAJRC-UHFFFAOYSA-N
-rxn:4:178597:229024,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)cnc1C,OMBZSIZLNLKCIV-UHFFFAOYSA-N
-rxn:4:178811:223493,COC(=O)c1cccc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c1,NOPWXJXAHIPREV-UHFFFAOYSA-N
-rxn:4:179320:223814,CC(=O)c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c(C(F)(F)F)cc1Cl,KZFFUTKTCOYAEM-UHFFFAOYSA-N
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-rxn:4:180178:223522,CC(C)(C)Cc1ccc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cc1,JJSJWEZPEMCJRY-UHFFFAOYSA-N
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-rxn:4:182304:223593,CC(C)C1Cc2c(cccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)C1=O,RWUPHLHPFPMLBA-UHFFFAOYSA-N
-rxn:4:182372:222775,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(CN4CCC(O)CC4)c(F)c3)cc1C2=O,JXBOMEDRFGBYFH-JIBACQESSA-N
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-rxn:4:183273:227432,Cc1nc(C2COC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,JSIFFZLBBBGQMN-UHFFFAOYSA-N
-rxn:4:183273:228899,COc1nc(Cl)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,KCBSFAXZVXBHNE-UHFFFAOYSA-N
-rxn:4:183274:227675,COc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(F)c(F)c1C,MQZVJWCGYFNZRM-UHFFFAOYSA-N
-rxn:4:183379:225126,CC1(C)C=Cc2c3c(cc(-c4cc(F)ccc4OCC4CCCO4)c2O1)C(=O)OC(C)(C)O3,ZXUFRRLBRGGXLT-UHFFFAOYSA-N
-rxn:4:183462:223928,CCOC(=O)COc1c(C#N)cccc1-c1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2,HJNHAQOPSRKWMY-UHFFFAOYSA-N
-rxn:4:183473:222712,COC(=O)COCc1c(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2F)cccc1[N+](=O)[O-],GGDXJQOBJABEPL-UHFFFAOYSA-N
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-rxn:4:183597:223669,CN(C)C(=O)COc1ccc(OC(F)(F)F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,RNTVNIWYPHELKZ-UHFFFAOYSA-N
-rxn:4:183601:224375,COCCCOc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)c(C)cc1[N+](=O)[O-],VQGFVDKIFTVZHX-UHFFFAOYSA-N
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-rxn:4:183630:224742,CCN(CC)C(=O)c1ccc(-c2cc(C3OCCO3)c(OC)cc2OC)c(OC(F)F)c1,KUDFUBRYGYRXNS-UHFFFAOYSA-N
-rxn:4:183667:224585,COC(=O)C(Oc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)N2CCC(C)CC2)cc1)C(C)C,PUFARYCGJZZSTM-UHFFFAOYSA-N
-rxn:4:183668:224458,CC1CCN(C(C)c2ccc(-c3ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc3)cc2)CC1,MEDVCTFTKWCREE-UHFFFAOYSA-N
-rxn:4:183668:225304,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2cc(C(F)(F)F)cnc2C(C)(C)C)cc1,VJOHSKCIOLIIJJ-UHFFFAOYSA-N
-rxn:4:183688:224022,COCCOc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1C(=O)N1CCC1,RNUJWJRDSKNFBA-UHFFFAOYSA-N
-rxn:4:183693:223110,COC(=O)C1CN(Cc2cc(-c3ccc(CNC(C)(C)C)cc3)ccc2OC(F)(F)F)C1,BOGWSGKZJGMVAU-UHFFFAOYSA-N
-rxn:4:183731:225265,CCCCOc1c(F)cc(F)c(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)C2)c1F,JOCVCLCLPXDWEV-UHFFFAOYSA-N
-rxn:4:183770:222564,O=C(NCc1ccc(Cl)cc1)c1cccc(-c2ccc(OC(F)(F)F)cc2OCC(=O)N2CCCCC2)c1,WWULMICORZEMHK-UHFFFAOYSA-N
-rxn:4:183790:222899,CCCCNS(=O)(=O)c1ccc(-c2cc(F)ccc2CN(CC)C(=O)OC(C)(C)C)cc1,BPMVDKRQQBJDRK-UHFFFAOYSA-N
-rxn:4:183790:224933,CCN(Cc1ccc(F)cc1-c1ccc(OCCN2CCCC2)cc1)C(=O)OC(C)(C)C,VUEAZUGKPOXMTI-UHFFFAOYSA-N
-rxn:4:183796:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)OC)c(N(C)C(=O)OC(C)(C)C)c3)c(F)c2)CC1,RXNWOAHAKBNBDV-UHFFFAOYSA-N
-rxn:4:183797:226891,CCCCN(C(=O)c1ccc(-c2cc(C(F)(F)F)cc(F)c2F)o1)C1CCS(=O)(=O)C1,QEIYZJTXESKLRS-UHFFFAOYSA-N
-rxn:4:183800:225126,CN(Cc1cc(-c2cc(F)ccc2OCC2CCCO2)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C,SCTBZYWFFQBRTL-UHFFFAOYSA-N
-rxn:4:183804:222838,CC(C)(C)C(=O)NCc1ccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2)cc1,DZYYDBFRNBITCZ-UHFFFAOYSA-N
-rxn:4:183820:223935,CC(C)(C)OC(=O)n1c(-c2ccc(OCC(C)(C)C(=O)OC(C)(C)C)nc2)cc2cccc(F)c21,HKFKKZVPRWHIIL-UHFFFAOYSA-N
-rxn:4:183822:224874,CCCCN(C)S(=O)(=O)c1cc(-c2cccc(COC3CCCCC3)c2)c(C)cc1OC,XKMDJMOESADNGA-UHFFFAOYSA-N
-rxn:4:183823:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ccc(Cl)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)c1,CQLHQDDQBMAVGH-UHFFFAOYSA-N
-rxn:4:183826:223071,CCS(=O)(=O)NCc1ccc(-c2cccc(CN(C(=O)OC(C)(C)C)C3CC3)c2Cl)cc1,OQORYMJEVBXBSQ-UHFFFAOYSA-N
-rxn:4:183837:225098,COC(=O)C1CCN(C(=O)COc2ccc(-c3ccc(OCCN4CCCC4)nc3)cc2)CC1,NQXQOBOPBWQBTQ-UHFFFAOYSA-N
-rxn:4:183876:222721,CC(C)(C)OC(=O)N1CC(COc2ccc(Cl)cc2-c2cc(C3CCNCC3)nc(C(F)(F)F)c2)C1,PELIVKSGFJTVAW-UHFFFAOYSA-N
-rxn:4:183881:223027,CCCNC(=O)c1cc(F)cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2F)c1,BLBJUBKOQGQRLL-UHFFFAOYSA-N
-rxn:4:183894:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3OCCCN3CCC(C(F)(F)F)CC3)cc2)CC1,ASGNEDVLRJKIJR-UHFFFAOYSA-N
-rxn:4:183904:223842,COCc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)ccc1Sc1ccccc1CN(C)C,HKIPONXBIPQVAF-UHFFFAOYSA-N
-rxn:4:183908:225127,CCCCN(C(=O)c1cccc(-c2cc(C)c(F)c(OCC(C)C)c2F)c1)C1CCS(=O)(=O)C1,QQNGAQMDFJKERT-UHFFFAOYSA-N
-rxn:4:183921:224847,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)cc2)c(C)c1,SFLGXYIKDKYAKF-UHFFFAOYSA-N
-rxn:4:183928:222867,CC(c1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1)N(C(=O)OC(C)(C)C)C1CC1,LFGVYIQXDZXMOF-UHFFFAOYSA-N
-rxn:4:183928:225571,COC(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)c(C2CC2)c1,WCVIZAOVJGIBKQ-UHFFFAOYSA-N
-rxn:4:183932:223042,Cc1cc(-c2ccc(C(=O)NC(C)C)c(Cl)c2)ccc1CN(C(=O)OC(C)(C)C)C1CC1,RASPTIHFXKXWNJ-UHFFFAOYSA-N
-rxn:4:183934:222673,COC(=O)C1CCN(CCCc2ccccc2-c2cc(C(=O)NC3CCCCC3)ccc2Cl)CC1,MCLYIOCSRUMYKU-UHFFFAOYSA-N
-rxn:4:183942:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(OC)cc2C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1,XQVUKHRRJSXTAP-UHFFFAOYSA-N
-rxn:4:183964:225293,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2ccc(C(F)(F)F)c(OC(C)C)c2)c1,LHILYFFTTMKTFP-UHFFFAOYSA-N
-rxn:4:183985:222792,CC(C)[Si](Oc1ccc(-c2cc(NC(=O)OC(C)(C)C)ccc2F)c(C#N)c1)(C(C)C)C(C)C,JHCUHIZUAPIUJS-UHFFFAOYSA-N
-rxn:4:184001:229012,COC(=O)C1(c2ccc(-c3sccc3C(C)C)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,ZYQFAYWAMWGGPP-UHFFFAOYSA-N
-rxn:4:184003:224934,O=C(Cc1ccc(-c2cccc(OCCN3CCCC3)c2)cc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1,NRDZFYTVEZOHPQ-UHFFFAOYSA-N
-rxn:4:184020:225423,Cc1cc(-c2ccc(CCCCN(C)C)cc2)ccc1OC[C@@H]1CCCN1C(=O)OC(C)(C)C,JMEBCFHAHHYWEG-SANMLTNESA-N
-rxn:4:184021:224111,COc1ccccc1COc1ccccc1-c1c(Cl)cccc1CN(C(=O)OC(C)(C)C)C1CCOCC1,KJIGHQMXPPXFEX-UHFFFAOYSA-N
-rxn:4:184033:226844,CC(C)(C)OC(=O)N1CCCC(OS(=O)(=O)c2ccc(-c3ccnc(C(=O)C(F)(F)F)c3)cc2)C1,UYCPRBUQBQRPGI-UHFFFAOYSA-N
-rxn:4:184045:224365,CCCCOc1cc(-c2cccc(CN(C(=O)c3ccccc3OC)C3CCS(=O)(=O)C3)c2)cc(C(F)(F)F)c1F,JWZLKGYLIPGFKU-UHFFFAOYSA-N
-rxn:4:184054:227525,CCc1cnc(C(F)F)cc1-c1ccc(CC(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc1,ZHOHXNSTGOGXGP-UHFFFAOYSA-N
-rxn:4:184058:224572,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCC(COCc5ccccc5)C4)cc3)c(C#N)c2)C1,LCQHYEROXJGUIP-UHFFFAOYSA-N
-rxn:4:184067:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(F)(F)CC4)cc3)c(F)c2s1,REIUEUOVMAJZHF-UHFFFAOYSA-N
-rxn:4:184067:225159,CC(C)(C)OC(=O)N(Cc1ccc(-c2cccc(C(=O)N3CCOCC3)c2)cc1)C1CCC(F)(F)CC1,XAFHPBLSHRYLRS-UHFFFAOYSA-N
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-rxn:4:201821:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cncc(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1,GEBHXOMRIQAFKJ-UHFFFAOYSA-N
-rxn:4:201835:223873,CCN1CCN(c2cc(OC(F)F)cc(-c3ccccc3CCC(=O)N3CCC(C)CC3)c2)CC1,OUXBBGZJUXNAIF-UHFFFAOYSA-N
-rxn:4:201962:224312,Cc1ccc(CN2CCN(CC(F)(F)F)CC2)c(-c2ccc(F)c(C(=O)N3CCN(C)CC3)c2)c1,JWVMRSUSNYLJAJ-UHFFFAOYSA-N
-rxn:4:201968:225574,COC(=O)c1cc(C2CC2)ccc1-c1ccc(N2CCC(F)(F)C2)nc1C(=O)OC(C)(C)C,DGNQKBJSPLPXEL-UHFFFAOYSA-N
-rxn:4:201975:224462,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cc2)CC1,LUJYNLDGHZXQIL-UHFFFAOYSA-N
-rxn:4:201986:223660,Cc1ccc(S(=O)(=O)n2ccn(C(=O)c3ccccc3-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)c2=O)cc1,CGQQLHUVBAPJSU-UHFFFAOYSA-N
-rxn:4:201992:225595,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(F)c(CN4CCCC4)c3)nc2)C1,IDKIHJSRPGUVBU-UHFFFAOYSA-N
-rxn:4:201995:225980,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cc(N4CCOCC4)ncc3F)ccn2)C1,HPGHAJURWIYGHE-UHFFFAOYSA-N
-rxn:4:201996:225898,CC(C)(C)OC(=O)N1CCOC(c2ccnc(-c3cnn(CCN4CCOCC4)c3)c2)C1,BRAJJJHPOUSVNE-UHFFFAOYSA-N
-rxn:4:202007:222904,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(NC(=O)OC(C)(C)C)nc1,NKBNTTHDVWKDRX-UHFFFAOYSA-N
-rxn:4:202009:222934,CCNC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)C3CCCC3)C2)cc([N+](=O)[O-])c1,CLGSGEBWKFXUPA-UHFFFAOYSA-N
-rxn:4:202064:223902,CC(C)CC(=O)N1CCN(c2ccccc2-c2ccc(OCCN3CCC(C)CC3)c(F)c2)CC1,CZSROZXQIOLHNA-UHFFFAOYSA-N
-rxn:4:202099:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccn2)c1,UMTHBPPJLZIJLI-IBGZPJMESA-N
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-rxn:4:202136:225898,CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2-c2cnn(CCN3CCOCC3)c2)CC1,ITPCZDWGGVUUMO-UHFFFAOYSA-N
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-rxn:4:202153:226266,COC(=O)CCc1ccccc1-c1cccc(C=C2SC(=S)N(CC(=O)N3CCCCC3)C2=O)c1,YVPGUUQJIRCKGA-UHFFFAOYSA-N
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-rxn:4:202195:227211,CCCCSc1ccc(-c2cccnc2OC2CCN(C(=O)C3CC=CCC3)CC2)cn1,NUVVGIXWTSUXKF-UHFFFAOYSA-N
-rxn:4:202196:227527,CCOc1ccc(F)c(-c2cnccc2OC2CCN(CC3CCS(=O)(=O)CC3)C2)c1Cl,HCDBKNWERYACIW-UHFFFAOYSA-N
-rxn:4:202214:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c1,PFXPIJGQSWTIQP-UHFFFAOYSA-N
-rxn:4:202224:222947,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cnc(N3CCCC(O)C3)nc2Cl)nc1,CQAQLNGGWGTISD-UHFFFAOYSA-N
-rxn:4:202229:224760,Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,WFIIDSFLUDXQQN-UHFFFAOYSA-N
-rxn:4:202254:223867,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cccc(OCCCN5CCC(C)CC5)c4)cc3)CC2c2ccco2)cc1,VGXNJXHQHYTAMY-UHFFFAOYSA-N
-rxn:4:202290:222652,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)Nc5ccc(Cl)cc5)cc4)cc3)CC2)C1,JPRDWWJBPCOHIK-UHFFFAOYSA-N
-rxn:4:202290:224865,COC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccc(CCN5CCCCC5)cc4)cc3)CC2)C1,RZLBQFQZYNXRHE-UHFFFAOYSA-N
-rxn:4:202313:224768,O=C(c1c(F)cc(-c2ccccc2CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1F)N1CCCC1,RYINVJZCMFKKCO-UHFFFAOYSA-N
-rxn:4:202320:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc(F)cc(N3CCN(O[Si](C)(C)C(C)(C)C)CC3)c2)CC1,XYBMXISYQZBAKA-UHFFFAOYSA-N
-rxn:4:202328:223077,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)CC1,BQLSVASXYSBATB-UHFFFAOYSA-N
-rxn:4:202342:223100,CNS(=O)(=O)c1ccc(OC)c(-c2cccc(C(=O)N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2)c1,NGSIHNSLKDQIJS-UHFFFAOYSA-N
-rxn:4:202501:223889,C#CCn1c(=NC(=O)C(C)(C)C)sc2cc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)ccc21,LJMIAOQVQZLEOC-UHFFFAOYSA-N
-rxn:4:202527:222725,CCNS(=O)(=O)c1ccc(-c2cccc(N3C(=NC(=O)COC)SC4CS(=O)(=O)CC43)c2)c(C(F)(F)F)c1,YNWMYWIZWAVMOY-UHFFFAOYSA-N
-rxn:4:202559:224275,CC(C)(C)OC(=O)N1CC(C)(C)c2cc(-c3nn(C(=O)OC(C)(C)C)c4ccccc34)cc(C#N)c21,FNYQZBLDHBXSHZ-UHFFFAOYSA-N
-rxn:4:202621:223500,COCCn1c(-c2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)nc(=S)c2c1CCCC2,WLIYTEUMTZDTEB-UHFFFAOYSA-N
-rxn:4:202660:222666,CCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cccc(C(=O)Nc4ccccc4F)c3)ccc21,JFOAQPIIGATLBT-UHFFFAOYSA-N
-rxn:4:202661:224807,CCCN1C(=O)C(=C2SC(=S)N(C(C)CC)C2=O)c2cc(-c3cc(C(F)(F)F)cc(OC(C)C)c3F)ccc21,XAJQVFGCUNHMQO-UHFFFAOYSA-N
-rxn:4:202674:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)cc1,CDXCZAYDJJXULP-UHFFFAOYSA-N
-rxn:4:202675:223641,CCc1cc2c(cc1F)cc(-c1cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc13)n2C(=O)OC(C)(C)C,PUWCMFFBTLCZBN-UHFFFAOYSA-N
-rxn:4:202675:224188,CC(C)N(C(=O)c1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(Cl)c1)C(C)C,ZEDYHKVTVDFXRF-UHFFFAOYSA-N
-rxn:4:202677:224309,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c3F)ccnc21,BYLSDUJVMABROU-UHFFFAOYSA-N
-rxn:4:202707:223916,CSc1cccc(N2C(=O)N(Cc3ccc(-c4ccc(C(=O)N5CCN(C(C)C)CC5)cc4)cc3F)C3CS(=O)(=O)CC32)c1,XKTWNBIDNMCZJJ-UHFFFAOYSA-N
-rxn:4:202712:224607,CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3cc(-c4ccc(C(=O)OCC[Si](C)(C)C)cc4)ccc3C2=O)C1,YDDKGEFLJYSHCT-VWLOTQADSA-N
-rxn:4:202724:224420,Cc1cc2c(cc1-c1ccc(S(=O)(=O)c3c(C(=O)N4CCCCC4)cnc4ccc(F)cc34)cc1)C(C)(C)CCC2(C)C,YOVFMFPJDKFUAF-UHFFFAOYSA-N
-rxn:4:202793:223598,CC(C)Oc1ccc(C2c3c(oc4ccc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(F)c5)cc4c3=O)C(=O)N2c2nccs2)cc1,JHDBUBARVGLHQW-UHFFFAOYSA-N
-rxn:4:202797:222602,COc1cccc2c1OC1(C)CC2N(C(=O)c2ccc(-c3cc(CC(C)C)sc3S(=O)(=O)NC(C)(C)C)o2)C(=S)N1c1ccc(F)cc1,PXUDNCKGKWEACJ-UHFFFAOYSA-N
-rxn:4:202804:224359,CCN(CC)C(=O)c1cc(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCN3CCOCC3)cc2)cc([N+](=O)[O-])c1,FJCDEDXENKEPCS-UHFFFAOYSA-N
-rxn:4:202807:222541,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)cc1,YJSSQKGIQMQQMK-UHFFFAOYSA-N
-rxn:4:202807:223895,CCN1CCN(CCOc2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)CC1,OUJDVQJQKFYVFS-UHFFFAOYSA-N
-rxn:4:202807:224941,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CCN3CCOCC3)cc2)cc1,YSUAADMMOTXOCA-UHFFFAOYSA-N
-rxn:4:202810:224367,COc1ccc(OC)c(C2c3c(oc4ccc(-c5ccc(OC(F)(F)F)c(OCC(C)C)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,GWFPCOAIZJTMKW-UHFFFAOYSA-N
-rxn:4:203304:223521,CON(C)C(=O)c1ncc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C,AYUJICFCSNNSIH-UHFFFAOYSA-N
-rxn:4:203387:223575,COC(=O)C1CN(c2ccc(-c3ccccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)C1,HCPYCZAQRVULSX-UHFFFAOYSA-N
-rxn:4:203587:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cncc(CC(=O)N4CCOCC4)c3)cnc21,RQOBMPXGDVNIFJ-UHFFFAOYSA-N
-rxn:4:203686:222511,O=C(NC1CCCCC1)c1cc(-c2cncc(CC(=O)N3CCCC(F)(F)C3)c2)cc([N+](=O)[O-])c1,YOCQRBXFFJJLPT-UHFFFAOYSA-N
-rxn:4:203818:223528,CCN1CCN(C(=O)c2cc(F)cc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,IYMHEIJLEODETC-UHFFFAOYSA-N
-rxn:4:203942:225571,COC(=O)c1ccc(-c2cc(C=C3C(=O)N(C)C(=S)N3C)c(OC)cc2OC)c(C2CC2)c1,KURRFBJOSLFXJG-UHFFFAOYSA-N
-rxn:4:204021:225056,CC1CCCN(c2ccc(-c3cccc(N4CCN(C(=O)C5CCC5)CC4)c3)c(F)c2)C1,RERAEEVDMQMVQI-UHFFFAOYSA-N
-rxn:4:204026:224878,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2ccccc2COC2CCCCC2)CC1,VEBWVGPBZLGEAH-UHFFFAOYSA-N
-rxn:4:204033:222604,COc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4CCCC4)C3)c2)cc1S(=O)(=O)NC1CCCC1,AYEXGKGTRIHCTR-UHFFFAOYSA-N
-rxn:4:204054:223187,CONS(=O)(=O)c1cccc(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)c1,SFAJRCOMBDDTGO-UHFFFAOYSA-N
-rxn:4:204056:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCCC3)c2)c1,MHPGFDCOTDRUDT-UHFFFAOYSA-N
-rxn:4:204056:225352,CC(=O)Oc1ccc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCCC3)c2)cc1C(F)(F)F,XZNARGVUUSVSFJ-UHFFFAOYSA-N
-rxn:4:204065:223891,Cc1cc(C(=O)N2CCC(N(C)C)CC2)ccc1-c1c(F)ccc2c1ccn2[Si](C)(C)C(C)(C)C,VEXKDEZTJWOCSO-UHFFFAOYSA-N
-rxn:4:204072:224997,Cc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1-c1ccc(C(=O)N2CCCCC2)cc1,IWAMOXWSQQHSLN-UHFFFAOYSA-N
-rxn:4:204109:223526,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCC(N4C(=O)COCC4=O)CC3)cc2)CC1,SYHPOLQKUCEGLP-UHFFFAOYSA-N
-rxn:4:204133:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCOCC2)c(N2CCCCC2)c1,KNSUATLYVOSSIB-UHFFFAOYSA-N
-rxn:4:204135:226336,N#Cc1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c(Cl)cc1C1CC1,JVKFBXVEVMZLOE-UHFFFAOYSA-N
-rxn:4:204135:227489,CN(C)c1ncc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)cc1C#N,OYZAAUVCLORSAU-UHFFFAOYSA-N
-rxn:4:204136:225428,CCCCC(=O)c1ccc(-c2ccc(CN3CCCC(F)(F)C3)c(N3CCOCC3)c2)c(C)c1,OTCWIRKKMNOLFT-UHFFFAOYSA-N
-rxn:4:204147:223084,CC1CCCCN1Cc1ccc(-c2cnc(N3CCC(O)CC3)nc2)cc1N1CCCC1,HQJFJFFJPVYTQS-UHFFFAOYSA-N
-rxn:4:204167:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccc(CN2CCCC(C)C2)c(N2CCOCC2)c1,LRIFETXREILGRH-UHFFFAOYSA-N
-rxn:4:204170:223588,Cc1cc(-c2ccc(CN3CCCCC3C)c(N3CCCCC3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,QEBVIIKYDVCYGI-UHFFFAOYSA-N
-rxn:4:204179:224648,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4Cl)cc3C)CC2)cc1C,BAQKMUNBFSNLCV-UHFFFAOYSA-N
-rxn:4:204681:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1,VNLNWMMLONCOJX-UHFFFAOYSA-N
-rxn:4:204706:222468,CC(C)(C)OC(=O)Nc1ccc2cc(-c3ccc(N4C(=NC(=O)C5CC5)SC5CS(=O)(=O)CC54)c(F)c3)ccc2c1,KFCQLTAKMDOKJI-UHFFFAOYSA-N
-rxn:4:204720:222429,CCN1CCN(Cc2cc3c(c(-c4ccc(CNC(=O)c5ccc(F)cc5C(F)(F)F)cc4)c2)OCC3)CC1,PIMFUBCGHDHENK-UHFFFAOYSA-N
-rxn:4:204780:223268,CNC(=O)c1cc(Cl)cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,HZJJQRNXPZBVAQ-UHFFFAOYSA-N
-rxn:4:204788:223772,COc1ccc2cc(-c3ccc(N4C(=O)N(c5ccccc5OC)C5CS(=O)(=O)CC54)cc3)n(C(=O)OC(C)(C)C)c2c1,ZODIIBXZUVPXCE-UHFFFAOYSA-N
-rxn:4:204806:226755,COC(=O)c1cc(-c2cccc(N3C(=NC(=O)c4cccc(C)c4)SC4CS(=O)(=O)CC43)c2)c(Cl)cc1F,ROBXUCNBSLQGQH-UHFFFAOYSA-N
-rxn:4:204816:227368,CCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccc(Cl)c(OC4CC4)c3)ccc21,CQSAEYYJIHCUPZ-UHFFFAOYSA-N
-rxn:4:204833:224596,COc1cc(N2CCCCC2C)ccc1-c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1C,IVIXKMNZFMPPBI-UHFFFAOYSA-N
-rxn:4:204838:223533,Cc1ccccc1N1OC2C(=O)N(c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cc3)C(=O)C2C1c1ccco1,XRPNQVCEORXCDS-UHFFFAOYSA-N
-rxn:4:204868:226089,CCN(CC)Cc1ccccc1-c1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)cc1,RGDPMALNLURHKP-UHFFFAOYSA-N
-rxn:4:204870:225540,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1ccc(C#N)c(OCC(C)C)c1,BRJDNTSMJJKTHS-UHFFFAOYSA-N
-rxn:4:204913:224302,Cn1c2c(c3cc(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4F)ccc31)CN(C(=O)OC(C)(C)C)CC2,KUCRAQVGTVLTND-UHFFFAOYSA-N
-rxn:4:205129:223500,COc1[nH]nc(C(F)(F)F)c1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,OLOPBHMOHANBNA-UHFFFAOYSA-N
-rxn:4:205657:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cccnc2C(=O)N2CCC2)CC1,XDAOOCVJCOTVCO-UHFFFAOYSA-N
-rxn:4:205737:222514,COc1ccc(-c2cc(S(N)(=O)=O)ccc2S(N)(=O)=O)cc1S(=O)(=O)NC1CCCCC1,XWOGWEWFPQXESA-UHFFFAOYSA-N
-rxn:4:206159:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c[nH]c(C(=O)N4CCOCC4)c3)cc2Cl)CC1,GZMCBBFNWDNVIG-UHFFFAOYSA-N
-rxn:4:206454:224394,Cc1ccc(-c2cccc(N3CCC(F)(F)C3)c2[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1,OEMDTNWDVWJLQO-UHFFFAOYSA-N
-rxn:4:206648:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1nc(C(=O)N2CCC(F)(F)CC2)ccc1F,KUQAUFJYKSYITF-UHFFFAOYSA-N
-rxn:4:206776:223588,Cc1cc(-c2cc(C(=O)N3CCCCC3)n(C)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,XKGLFZRTEDKYNR-UHFFFAOYSA-N
-rxn:4:206836:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3nc(C4CCOCC4)cc(C4CC4)n3)c3ccccc23)CC1,LORGQYSPEWFZJJ-UHFFFAOYSA-N
-rxn:4:206850:223534,Cc1cc(C(=O)N2CCCCC2)ncc1-c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ncc1F,SJKGZORUUCDBAX-UHFFFAOYSA-N
-rxn:4:206868:224011,CN1CCN(C(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)c2F)CC1,DEGPKPZGPVFXQY-UHFFFAOYSA-N
-rxn:4:206871:223960,CCN1CCN(C(=O)c2cc(-c3ccc(Cl)c(C(=O)N4CCN(C)CC4)c3F)ccc2F)CC1,WGYHOTKWLZUWBP-UHFFFAOYSA-N
-rxn:4:206956:222693,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2)CC1,MRPIQYOZISKSEY-UHFFFAOYSA-N
-rxn:4:207017:224501,Cc1cc(-c2ccc(OCC3CCCCN3C)cc2)c(Cl)cc1C(=O)N1CCN(C)CC1,UJIOFXHPFOFQIA-UHFFFAOYSA-N
-rxn:4:207073:224187,CN1CCN(c2ccc(-c3ccc(OCCN4CCCCC4)cc3F)c(C3CC3)c2)CC1,OXXXGMNDHQGEQR-UHFFFAOYSA-N
-rxn:4:207399:223492,Cc1cc(-c2cnc3ccn(CC4CC4)c3c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,CWGUBQDIGFSIEN-UHFFFAOYSA-N
-rxn:4:207467:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)N(C)C)C3)c(C(F)(F)F)c1,DWXRCTFDNYERAJ-UHFFFAOYSA-N
-rxn:4:207729:223866,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccccc32)ccc1-c1ccccc1CN1C(C)(C)CCCC1(C)C,KMHRKLDDBHYGQY-UHFFFAOYSA-N
-rxn:4:207796:222806,CCCNC(=O)c1cc(-c2ccc3oc(=O)c(S(=O)(=O)N4CCN(C)CC4)cc3c2)cc([N+](=O)[O-])c1,FZJBANWLRHWXEK-UHFFFAOYSA-N
-rxn:4:207796:222825,CN1CCN(S(=O)(=O)c2cc3cc(-c4cc(Cl)ccc4S(=O)(=O)NC(C)(C)C)ccc3oc2=O)CC1,IRZLDLWXJCOZTN-UHFFFAOYSA-N
-rxn:4:207813:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c2ccccc12,LDJVXYPTHAEPQT-UHFFFAOYSA-N
-rxn:4:207848:223598,Cc1cccc(N2C(=O)N(c3cccc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)c3)C3CS(=O)(=O)CC32)c1,HTZLGIQOOLOQGK-UHFFFAOYSA-N
-rxn:4:207852:223683,Cc1ccccc1N1C(=O)N(c2ccc(-c3cnc(OC4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2)C2CS(=O)(=O)CC21,HQUHJGMZRLYTFR-UHFFFAOYSA-N
-rxn:4:207856:224458,CC1CCN(C(C)c2ccc(-c3ccc4c(c3)CCCC4N3CCN(C(C)C)CC3)cc2)CC1,TWRKJRAYYZKUQO-UHFFFAOYSA-N
-rxn:4:207858:224436,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccccc3CN(C)c3ccccc3)ccc21,HAIAMMCUVQXNBN-UHFFFAOYSA-N
-rxn:4:207965:224864,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CN(C(C)C)C(C)C)cc4)ccc2OC32CCC(C)CC2)cc1,KDXGBTNGJPEFEM-UHFFFAOYSA-N
-rxn:4:209818:223595,Cc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1N1CCN(C)C1=O,WQKXMMZQTDQDKS-UHFFFAOYSA-N
-rxn:4:210681:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C4=CSC5=NCCN45)cc3)c2)CC1,PYBLDVCNGMOBCK-UHFFFAOYSA-N
-rxn:4:210794:222389,c1cc(C2CN3CCSC3=N2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,QFRYRFXLRJDTPW-UHFFFAOYSA-N
-rxn:4:211066:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc4c5c(c3)cc(C#N)c(=O)n5CCC4)cc2F)CC1,HMUHUTUPKGVWFU-UHFFFAOYSA-N
-rxn:4:211101:222742,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCNCC5)nc(C5CC5)c4)ccc2OC32CCC(C)CC2)cc1,CWZZBJGYBLNYPX-UHFFFAOYSA-N
-rxn:4:212283:223602,CN1C(=O)COc2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cnc21,LMTKLADFGSDHCZ-UHFFFAOYSA-N
-rxn:4:212556:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnc(OC3CCN(C(=O)CSc4ccc(F)cc4)C3)nc2)cc1,CEJOMJQRIAADEB-UHFFFAOYSA-N
-rxn:4:212568:224915,Cc1cc(N2CCCCC2C)ccc1-c1ccc(C(=O)C(=Cc2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1,JBMALASVAIUCOF-UHFFFAOYSA-N
-rxn:4:212618:225984,CC(C)(C)OC(=O)N1CCCC(COc2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)C1,QHNPLMFHSJYTRT-UHFFFAOYSA-N
-rxn:4:212630:225746,CC(C)(C)OC(=O)c1ncccc1-c1cncc(C(=O)N2CCCC(COc3ncccc3C(F)(F)F)C2)c1,UZLNNSMTDMJYRG-UHFFFAOYSA-N
-rxn:4:212634:223031,CCNC(=O)c1ccc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C2CCCC2)c(OC)c1,XVMJRBDASUVATB-UHFFFAOYSA-N
-rxn:4:212640:225308,CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)cc(C4CC4)c3Cl)cc2)c1C,DWZUGPQCNKGPIG-UHFFFAOYSA-N
-rxn:4:212642:223973,CC1CCCN(c2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)o3)c(C(F)(F)F)c2)C1,CRIQCTKDEDSDIR-UHFFFAOYSA-N
-rxn:4:212649:224195,CCN1CCN(Cc2cc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)CC)C4)nc3)ccc2Cl)CC1,UUAPMJWKEHPYMP-UHFFFAOYSA-N
-rxn:4:212649:224718,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,LRSKLIBYASLBHR-UHFFFAOYSA-N
-rxn:4:212649:225313,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(C)CC4)nc3F)cn2)C1,NTPOFTVBUIJCKY-UHFFFAOYSA-N
-rxn:4:212649:227249,CCCOc1ccc(Cl)c(-c2cnc(OCC3CCCN(C(=O)C(C)(C)CC)C3)nc2)c1,LVYSPWKFGJNHMT-UHFFFAOYSA-N
-rxn:4:212667:224462,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)C2)cc1,GBEQPGCEBVIHRC-UHFFFAOYSA-N
-rxn:4:212693:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1cncc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2C)c1,SMSINXSUMPTLBG-UHFFFAOYSA-N
-rxn:4:212707:224842,COc1ccc(C2=NN(C(=O)c3ccccc3-c3ccc4c(c3)C(C)(C)CCC4(C)C)C(c3cccc([N+](=O)[O-])c3)C2)cc1,OTSUIDUSHUJSBD-UHFFFAOYSA-N
-rxn:4:212709:223888,CCOC(=O)c1c(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c(CN2CCC(=Cc3ccccc3)CC2)nn1C,WZJVKVRUNGWERF-UHFFFAOYSA-N
-rxn:4:212709:224731,CCOC(=O)c1c(-c2cccc(S(=O)(=O)OCC(C)(C)C)c2)c(CN2CCC(=Cc3ccccc3)CC2)nn1C,ADGOODBFIUSJPW-UHFFFAOYSA-N
-rxn:4:212710:222948,Cc1ncnc(OCC2CCN(C(=O)Cc3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc3)CC2)c1C,CSQTUEDQBLPTNU-UHFFFAOYSA-N
-rxn:4:212711:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)o3)ccc2F)CC1,LVJRGYGXAQDAFR-UHFFFAOYSA-N
-rxn:4:212711:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)CC4)o3)cn2)CC1,GMKLKEWYAMZUIK-UHFFFAOYSA-N
-rxn:4:212731:222885,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(C(=O)NC6CCOC6)cc5)cc4)C3)n2)c1,JMMVAGYHNZBYDF-UHFFFAOYSA-N
-rxn:4:212749:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(N2CCCCC2)c1,XDOWKINJUDAYRI-UHFFFAOYSA-N
-rxn:4:212749:224576,CC1CN(Cc2ccc(-c3cnn(-c4ccc(C(C)(C)C)cc4)c3)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,LHOAHXFJTYHERC-UHFFFAOYSA-N
-rxn:4:212771:225977,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2s1,SRGNKZPOOWEERQ-UHFFFAOYSA-N
-rxn:4:212806:225104,CCN(CC)C(=O)c1ccc(F)c(-c2ccc3c(c2)sc(=NC(=O)c2ccc(N4C(=O)CCC4=O)cc2)n3CCOC)c1,HFQNVFRIPGPABJ-UHFFFAOYSA-N
-rxn:4:212814:228928,CC(C)(C)OC(=O)N1Cc2c(nn(C(=O)OC(C)(C)C)c2-c2cccnc2C(F)F)C1(C)C,FURHINPXBVLZHD-UHFFFAOYSA-N
-rxn:4:212839:226655,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(Cl)cnc4N4CCCC4)ccn23)CC1,XYOYTRKEFVORBC-UHFFFAOYSA-N
-rxn:4:212879:222582,COCCN1CC(Cn2cc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1,FGIUOCFIYBWOQT-UHFFFAOYSA-N
-rxn:4:212892:224718,CC(C)(C)OC(=O)N(c1ncc(-c2ccc(OCCN3CCOCC3)nc2)cn1)C1CC1,DNRHTUSVGGZTQM-UHFFFAOYSA-N
-rxn:4:213002:224582,O=C(CN1C(=O)CCC1=O)N1CCC(Oc2ccncc2-c2cccc(N3CCN(C4CC4)CC3)c2)C1,RIRLBJPGEHYUIO-UHFFFAOYSA-N
-rxn:4:213061:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1,QVLYKVBUAJLVHJ-UHFFFAOYSA-N
-rxn:4:213066:227181,O=C(c1ccc(-c2cccc3cc(Cl)ncc23)o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,GLOKURDOSMNEER-UHFFFAOYSA-N
-rxn:4:213070:223725,CCCCCc1ccc(-c2ccc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)cc1,ADAOBWQGFDJDOE-UHFFFAOYSA-N
-rxn:4:213075:223738,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3)n2)CC1,UTWOQWHXQCIPMY-UHFFFAOYSA-N
-rxn:4:213077:228463,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OC(F)F)nc3)c(C(F)F)n2)CC1,UXYDRQRCUFASMA-UHFFFAOYSA-N
-rxn:4:213078:227888,CCCSc1cccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)c1,QHPPVGXPVUCRLA-UHFFFAOYSA-N
-rxn:4:213092:223117,CCCNC(=O)c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C#N)cc1,DBIMSWSLNHIRFM-UHFFFAOYSA-N
-rxn:4:213099:227253,CCCOc1ccc(Cl)cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)(F)F,MADIWSCWRZNXNT-UHFFFAOYSA-N
-rxn:4:213111:224571,COc1cccc(C(=O)N2CCC(Oc3ncc(-c4ccc(N5CCN(C(C)C)CC5)cc4)cn3)CC2)c1,ROFWSPZDSMGVNU-UHFFFAOYSA-N
-rxn:4:213127:225979,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(N4CCOCC4)c(Cl)c3)ccn2)CC1,BSVNEQSXGGQVQB-UHFFFAOYSA-N
-rxn:4:213129:222866,COc1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,WUWWWUMGHNILLH-UHFFFAOYSA-N
-rxn:4:213132:225172,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,VCPJBAZDLPKBQO-UHFFFAOYSA-N
-rxn:4:213133:224424,CCCC1CCC(c2ccc(-c3cnc(OCC4CCN(CC5CCCO5)CC4)nc3)cc2)CC1,SFKUFXUNFDPMRG-UHFFFAOYSA-N
-rxn:4:213134:222546,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,WJNSDLGVWYYHEZ-UHFFFAOYSA-N
-rxn:4:213135:225098,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCCC4)nc3)cn2)CC1,OAVDANLSQZIDCC-UHFFFAOYSA-N
-rxn:4:213140:226844,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(C(=O)C(F)(F)F)c3)cc([N+](=O)[O-])c2)CC1,FPGPEFQWQJPHBP-UHFFFAOYSA-N
-rxn:4:213146:223520,CC(c1ccc(-c2ccccc2C(=O)N2CCC(CSc3nccn3C)CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,CSSYQKAWMOGOPK-UHFFFAOYSA-N
-rxn:4:213150:226523,CC(C)(C)OC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)s1,LPMAMRQQXVQIKA-UHFFFAOYSA-N
-rxn:4:213150:227252,CCCOc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccc1Cl,FTZKFYKVKLIGTK-UHFFFAOYSA-N
-rxn:4:213168:224757,CC1CCN(C(=O)CSc2ccc(-c3ccc(-c4cc(Cl)cc(C(=O)N5CCOCC5)c4)cc3)nn2)CC1,JZAFMGSEOAEFKR-UHFFFAOYSA-N
-rxn:4:213192:223185,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(C4CNCCO4)nc3)n2)CC1,AZICVSHZPFXRBG-UHFFFAOYSA-N
-rxn:4:213198:225754,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3cc(C(=O)OC)ncc3C3CC3)c2)nc1C,VMKPPRGEUCTKHF-UHFFFAOYSA-N
-rxn:4:213199:225381,COc1ccc(-c2ccc(C(F)(F)F)c(C(F)(F)F)c2)c(C(=O)N2CCC(Oc3nc(C)cc(C)n3)C2)c1,FCXIYEWKYYBAGR-UHFFFAOYSA-N
-rxn:4:213217:222870,CCN1CCN(c2ncc(-c3cc(F)cc(C(=O)NCC(C)C)c3)cc2C(=O)OC(C)(C)C)CC1,XCRFCISNMWUSAV-UHFFFAOYSA-N
-rxn:4:213218:225760,CCN(C)C(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc2)c(F)c1,ZJKUHCZIBRQHOA-SFHVURJKSA-N
-rxn:4:213220:225138,CC1CN(c2ccc(-c3ccn(-c4ccnc(C5CC5)c4)n3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,BWPFLHNCRPPSDL-UHFFFAOYSA-N
-rxn:4:213222:224718,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4ccc(OCCN5CCOCC5)nc4)o3)CC2)n1,AEMRGASSEKUEKH-UHFFFAOYSA-N
-rxn:4:213236:224727,COC(=O)c1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(OC)c(C)c4)C3)nc2)cc(OC(C)(C)C)n1,TYHZRPICULRPDW-UHFFFAOYSA-N
-rxn:4:213239:223581,COC(=O)c1cccc2cc(-c3cncc(C(=O)N4CCN(C(=O)C5CC5c5ccc(F)cc5)CC4)c3)n(C(=O)OC(C)(C)C)c12,MUKJHNDFBLBYQC-UHFFFAOYSA-N
-rxn:4:213244:225287,CC(C)(C)OC(=O)c1cnc(Cl)cc1-c1ccc(CN2CCN(CC(F)(F)F)CC2)c(N2CCCC2)c1,AOUDPEGYFZFRSJ-UHFFFAOYSA-N
-rxn:4:213260:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnc(OCC2CCCN(CC3CCS(=O)(=O)CC3)C2)nc1,JENLXQCXNUIUSF-UHFFFAOYSA-N
-rxn:4:213261:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)c(N4CCOCC4)c3)cc2C1,MPYOQNRGHRZPQI-UHFFFAOYSA-N
-rxn:4:213264:224952,O=C(Cc1ccc(-c2cccc(CCN3CCOCC3)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,FKSMBTMZABXVOO-UHFFFAOYSA-N
-rxn:4:213268:223935,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cc5cccc(F)c5n4C(=O)OC(C)(C)C)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,QJGONBPQMKEGPH-SIBVEZHUSA-N
-rxn:4:213272:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(OC4CCN(C(=O)c5ccc(N6CCOCC6)cc5)C4)nc3)cc(C(F)(F)F)c2)CC1,HFYDQKQVKKQZMX-UHFFFAOYSA-N
-rxn:4:213281:223176,CS(=O)(=O)NCc1cccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c1,UDHDLBPDCGNXQY-UHFFFAOYSA-N
-rxn:4:213311:223809,C[Si](C)(C)CCOCn1nc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)c2cccnc21,CQAKGKQEXUPJGF-UHFFFAOYSA-N
-rxn:4:213380:226555,CCCOc1cc(-c2ccc(-n3c(SCC(=O)N4CCCCC4)nc4c(c3=O)SCC4)cc2)c(F)cc1F,YABSIBYUVYNPFW-UHFFFAOYSA-N
-rxn:4:213441:222887,O=C(Cn1ccc2cc(-c3cccc(C(=O)N4CCNCC4)c3)ccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,UAMURKXERQAECU-UHFFFAOYSA-N
-rxn:4:213453:223150,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4ccnc(NCCN(C)C)c4)cc3)N2C1=O,YLNRBJAAISDPOV-UHFFFAOYSA-N
-rxn:4:213475:222446,COc1ccc(CNC(=O)c2ccc(F)c(-c3ccc([C@@H]4c5ccc6c(cnn6C6CCCCCO6)c5C[C@@H](C)N4CC(F)(F)F)c(OC)c3)c2)cc1,SAQHJUNUGAUQEV-POVIAIQYSA-N
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-rxn:4:213480:223227,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(C)NC5CC5)s4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,CZWFNGUXZKRTER-XCNCRAFJSA-N
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-rxn:4:213997:226292,CC(C)OC(=O)c1ccc(-c2cnccc2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1,FFKXLFPMCIRCGJ-UHFFFAOYSA-N
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-rxn:4:214027:229167,CN(C)c1nc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cs1,YQRUXYIBBFDIME-UHFFFAOYSA-N
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-rxn:4:214085:223104,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3ccc(NC(=O)C(F)(F)F)cc3)cc2)N=C1C1CCCCC1,WUGXTXAVUSLHBJ-UHFFFAOYSA-N
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-rxn:4:214771:223649,CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,ZATFLEYWECWFSQ-UHFFFAOYSA-N
-rxn:4:214784:224126,CCN1CCN(C(C)c2cccc(-c3ccc(N4C(=O)CC(Sc5nc(C)cc(C)n5)C4=O)cc3)c2)CC1,YZRQATPSESSYIX-UHFFFAOYSA-N
-rxn:4:214805:223023,CN(C)C(=O)NCc1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,GSVBGFQMOOFEQK-UHFFFAOYSA-N
-rxn:4:214805:225296,O=S(=O)(c1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1)N1CCCC1,WSKZUISTBAGIMW-UHFFFAOYSA-N
-rxn:4:214829:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2F)CC1,SPEAAYJDAZWCEH-UHFFFAOYSA-N
-rxn:4:214838:226235,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c(C)n1,NJHYLDNCMBIVLF-UHFFFAOYSA-N
-rxn:4:214838:226726,O=C(C1CN(c2ncc(-c3ccccc3OCC(F)(F)F)cc2F)CCO1)N1CCOCC1,NIFCTDQWTWDRKX-UHFFFAOYSA-N
-rxn:4:214868:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cccnc1N1CCOC(C(=O)N2CCCCC2)C1,CSWGHCBSRUJTEK-UHFFFAOYSA-N
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-rxn:4:215070:223504,Cn1c(C(C#N)=Cc2ccccc2-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)nc2ccccc21,PNCGYQAFYPVSLE-UHFFFAOYSA-N
-rxn:4:215105:223882,Cc1cccc2c1cc(-c1n[nH]c3c1CN(C(=O)OC(C)(C)C)C3(C)C)n2C(=O)OC(C)(C)C,VOJDNDYCSZCEPR-UHFFFAOYSA-N
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-rxn:4:215156:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(C(=O)N2CCCC2c2nc3ccccc3[nH]2)cc1,RFLPGZDZKMWLEL-UHFFFAOYSA-N
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-rxn:4:215261:223917,COc1ccc(-c2cc(F)cc(C(=O)N(C)C3CCCCC3)c2)c(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)c1,JWJXZDUASWTXIA-UHFFFAOYSA-N
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-rxn:4:215321:223541,N#Cc1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cncc1[N+](=O)[O-],OUUBMCPKERKOQS-UHFFFAOYSA-N
-rxn:4:215789:222588,O=[N+]([O-])c1cncc(-c2ccc(OCCN3CCC(O)CC3)c(F)c2)c1N1CCCCC1,XXXFRZOVDWUESY-UHFFFAOYSA-N
-rxn:4:215804:224669,CN1CCN(Cc2ccc(-c3cncc([N+](=O)[O-])c3N3CCC(F)(F)CC3)c(F)c2)CC1,RLKTVLGPWHFWBY-UHFFFAOYSA-N
-rxn:4:215908:223847,CCCCCC1CCC(c2ccc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)cc2)CC1,UOCFPNBCIFXVLJ-UHFFFAOYSA-N
-rxn:4:215914:223985,COc1ccc(-c2cnc(N3CCC(C(F)(F)F)CC3)nc2C)cc1S(=O)(=O)N1CCCCC1,QRRLLOQNCAHYSG-UHFFFAOYSA-N
-rxn:4:216207:223482,COc1nccc2c1c(-c1ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c1)nn2C1CCCCO1,SKQTXYRYRKZAGR-UHFFFAOYSA-N
-rxn:4:216294:224563,Cc1ccc(-c2ccc3c(c2)OCCn2cc(N4C(=O)OC[C@H]4C(F)F)nc2-3)c(O[Si](C)(C)C(C)(C)C)c1,BFECJNWPMDKYKT-NRFANRHFSA-N
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-rxn:4:217077:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOCC4)cn3)cc2Cl)CC1,SXZHQIJSNVKICV-UHFFFAOYSA-N
-rxn:4:217159:223660,CN1CCN(c2cc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)ccn2)CC1,WGPHWFAHDZWBAJ-UHFFFAOYSA-N
-rxn:4:217203:223889,Cc1cc(N2CCN(C)C(=O)C2)ncc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2,DFIHOBVJSIIGAM-UHFFFAOYSA-N
-rxn:4:217865:223474,C=C1CC2CCC(C1)N2c1ncc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cn1,CSWYZRLALSBGEV-UHFFFAOYSA-N
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-rxn:4:218588:225616,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3ccccc3C(=O)N3CCCC3)cn2)CC1,QKCNJJDKSYOVAE-UHFFFAOYSA-N
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-rxn:4:218621:227274,CC(=O)SCc1ccc(-c2cnc(OC3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)C3)nc2)cc1,XBQQWHMCCUSLEI-UHFFFAOYSA-N
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-rxn:4:218686:223022,COCCNC(=O)c1ccc(-c2cnccc2N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1,KTQZTBCJOXYVQP-UHFFFAOYSA-N
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-rxn:4:218718:222630,COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)c(C)nn12,DWRLNZPHQMOHTL-UHFFFAOYSA-N
-rxn:4:218746:223652,CCOC(=O)C1CCCN(Cc2cn3c(-c4ccc(-c5cc6c(Cl)ccc(OC)c6n5C(=O)OC(C)(C)C)cc4)nnc3s2)C1,MAMMMJYRFFHBDF-UHFFFAOYSA-N
-rxn:4:218755:224290,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4ccc(Cl)cc4OCCN4CCOCC4)cc3n(CC#N)c2=O)CC1,LLPAGSOBCXXWKG-UHFFFAOYSA-N
-rxn:4:218769:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCCC5)CC4)c3)cc2)c1,ULERHVYCTFUNEJ-UHFFFAOYSA-N
-rxn:4:218772:224920,Cc1ccc(-c2ccc(Cl)cc2)cc1-c1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1,ZWQKIIONOVXODI-UHFFFAOYSA-N
-rxn:4:218786:227732,Cc1nn(-c2cncs2)cc1-c1cccc2c3c([nH]c12)CCN(C(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1)C3,GLUQCLUKLXQRMA-UHFFFAOYSA-N
-rxn:4:218867:222655,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(C(=O)NC4CCCCC4)c(Cl)c3)c2)no1,RJSJTDYAMMSOAS-UHFFFAOYSA-N
-rxn:4:218867:225407,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(C4CCCCCC4)cc3)c2)no1,CCTKWRRJWBGFNW-UHFFFAOYSA-N
-rxn:4:218868:225445,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccccc3OC3CCCCC3)cc2)no1,QUBLLKUIFZVSCS-UHFFFAOYSA-N
-rxn:4:218868:225982,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCOCC4)cc3F)cc2)no1,ZTBXVAOYSDPMRB-UHFFFAOYSA-N
-rxn:4:218877:225916,COC(=O)c1cc(OC)c(F)c(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)c1,HZCKAZJZFJHVAT-UHFFFAOYSA-N
-rxn:4:218893:224120,Cc1cc(-c2cnc(N3CCCC(COc4ccncc4)C3)c(C#N)c2)ccc1CO[Si](C)(C)C(C)(C)C,OJBFLNNIRPVHSL-UHFFFAOYSA-N
-rxn:4:218898:224659,CN1CCN(C(=O)c2cccc(-c3cnc(OCC4CCN(C(=O)c5ccncc5F)CC4)nc3)c2)CC1,OLEXQVHJGWPBSI-UHFFFAOYSA-N
-rxn:4:218903:226284,CC(C)COc1cc(Cl)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)c1,CYSVUPDFDMSDAS-UHFFFAOYSA-N
-rxn:4:218943:222781,Cc1cc(NC(=O)OC(C)(C)C)c(-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)C3)cn2)cn1,GSISJCJSJOPCCR-UHFFFAOYSA-N
-rxn:4:218970:224863,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccccc3CN(C(C)C)C(C)C)cn2)C1,CSWPLTRTCSTMQT-UHFFFAOYSA-N
-rxn:4:218971:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5sc(C)nc5C)CC4)nc3)c(F)c2)CC1,ZPQVUJXORTXPJW-YOCNBXQISA-N
-rxn:4:218972:224759,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)s1,BMXMIQUVUGKFIQ-UHFFFAOYSA-N
-rxn:4:218976:225138,O=C1C(N2CCC(Oc3ncc(-c4ccn(-c5ccnc(C6CC6)c5)n4)cn3)CC2)CCN1CC(F)(F)F,RVRVNMZDKKHUFH-UHFFFAOYSA-N
-rxn:4:218991:224709,Cn1cc(-c2c(OC(F)(F)F)ccc3ccccc23)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,PTNBHULBCJZEEZ-UHFFFAOYSA-N
-rxn:4:218992:225505,CCCCn1ncc2cc(-c3cnn(CC4CN(C(=O)C5CCN(S(C)(=O)=O)CC5)C4)c3)ccc21,OUSGIGSCEBXUMS-UHFFFAOYSA-N
-rxn:4:219028:226558,CCCOc1c(F)ccc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnn2C)c1F,JIYGMUFZRIMPCO-UHFFFAOYSA-N
-rxn:4:219119:225852,CC(=O)C(C)n1c(-c2cnc(C3CCCCC3)nc2Cl)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,DUJREYWWCLMARI-UHFFFAOYSA-N
-rxn:4:219120:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,VCBXDDSMEMUGKO-UHFFFAOYSA-N
-rxn:4:219120:224592,N#CC1(c2ccc(F)c(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c2)CCCCC1,KEOHQFCYPPVATN-UHFFFAOYSA-N
-rxn:4:219245:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnn(C4CN(C(=O)OC(C)(C)C)C4)n3)ccc2F)CC1,KNYFMSWLXIAPTI-UHFFFAOYSA-N
-rxn:4:219251:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccccc3C(=O)N3CC(Cn4cncn4)C3)c2)C1,MDWFFIMEZYXGCH-UHFFFAOYSA-N
-rxn:4:219375:222777,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc(CN4CCC(O)CC4)c(Cl)c3)nn2)C1,PQDCJXWFTUHTPY-UHFFFAOYSA-N
-rxn:4:219419:223812,Cc1nc(N2CCN(C(=O)c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)o3)CC2)cc(C(F)(F)F)n1,LONUHLWDTIWHDF-UHFFFAOYSA-N
-rxn:4:219419:225178,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc(CN5CCOCC5)cc4F)o3)CC2)cc(C(F)(F)F)n1,ZVLLQKSIDHFFJY-UHFFFAOYSA-N
-rxn:4:219441:224756,O=C(c1ccc(F)cc1-c1ccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1)N1CCOCC1,SCWHQNQYVKKRTL-UHFFFAOYSA-N
-rxn:4:219466:223660,Cc1cccc(CN2CCC(Oc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cn3)CC2)n1,UZFNBNLJXYPQGK-UHFFFAOYSA-N
-rxn:4:219488:223080,CC(C)NS(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)cc1,SWAHYWYRGWHCNV-KRWDZBQOSA-N
-rxn:4:219498:228329,CCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c(Cl)cn1,DAICMZZWPNNVAN-UHFFFAOYSA-N
-rxn:4:219506:225654,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cn2)C1,LIRIVQTVLNSXJF-UHFFFAOYSA-N
-rxn:4:219508:224754,Cc1nc(N2CCN(C(=O)c3ccccc3-c3ccccc3S(=O)(=O)N3CCCCC3)CC2)cc(C(F)(F)F)n1,PKZJGTACBMQYAV-UHFFFAOYSA-N
-rxn:4:219552:224249,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cc(C(=O)N2CCCC(C)C2)ccc1F,GERZKNMFMXWCOB-UHFFFAOYSA-N
-rxn:4:219554:222603,COc1cc(-c2ccc(C3=NN(C(C)=O)C(c4cn(-c5ccccc5)nc4C)C3)cc2)c(Cl)cc1NC(=O)OC(C)(C)C,JDQZMIKETNPUGF-UHFFFAOYSA-N
-rxn:4:219565:227611,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccnn4C4CCCCO4)cc3)CC2)n1,QEFPZIWXRPPOFP-UHFFFAOYSA-N
-rxn:4:219622:224834,CC(=O)Cn1c(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C,IMQAQBCWQODWHP-UHFFFAOYSA-N
-rxn:4:219641:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cccnc1OC1CCN(C(=O)c2cc3n(n2)CCCO3)C1,SUJSHSKILKZSPV-UHFFFAOYSA-N
-rxn:4:219654:222546,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cc23)CC1,HLGMWLUCWIQEJS-UHFFFAOYSA-N
-rxn:4:219654:224796,CC(C)(C)COS(=O)(=O)c1cncc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)c1,JIKSHWMGCZHTOO-UHFFFAOYSA-N
-rxn:4:219654:225975,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccnc(N5CCOCC5)c4Cl)cc23)CC1,QJLVQBMYUGGMDU-UHFFFAOYSA-N
-rxn:4:219654:225982,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cnc(N5CCOCC5)cc4F)cc23)CC1,ZQMNBKFLPPQHHL-UHFFFAOYSA-N
-rxn:4:219654:225984,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cnc(Cl)c(N5CCOCC5)c4)cc23)CC1,QNHAXHHRMHJBFV-UHFFFAOYSA-N
-rxn:4:219665:224399,O=C(c1ccccc1-c1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1,QYPGNEVANZJIHO-UHFFFAOYSA-N
-rxn:4:219764:225087,CN(C)CCCOc1ccc(-c2c(Cl)cc3c(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)nc(F)nc3c2F)cc1F,JAKYANRTTXJALI-UHFFFAOYSA-N
-rxn:4:219780:226231,CCCCOc1ncc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cc1C,MBWQLTPGGDTKKU-UHFFFAOYSA-N
-rxn:4:219876:222546,CCN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCNC3CCCCC3)c(F)c2)CC1,XCLDSYMRTOPFHZ-UHFFFAOYSA-N
-rxn:4:219907:223787,Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)cc1,VQWVEXULOASPIK-UHFFFAOYSA-N
-rxn:4:219929:222919,CC(C)N1CCN(C(=O)c2cnn(C)c2-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1,CSIFDBQJVNLXAJ-UHFFFAOYSA-N
-rxn:4:219950:225086,CSc1ncc(-c2ccc(OCCCN(C)C)c(Cl)c2)c(N2CCN(C3CCC3)CC2)n1,QTTFFZNHJQKJTJ-UHFFFAOYSA-N
-rxn:4:219955:222546,O=C(C1CN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CCO1)N1CCSCC1,WHSREIZIRLVQHL-UHFFFAOYSA-N
-rxn:4:220056:223533,Cc1cc(C)nc(SCc2nc3ccc(Cl)cn3c2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)n1,SFUMZLAOQWAWJL-UHFFFAOYSA-N
-rxn:4:220131:223106,N#Cc1cc(-c2cnc(N3CCC(O)C3)nc2Cl)cnc1N1CC(N2CC3CCCC3C2)C1,KBKMNUOVNJMEIE-UHFFFAOYSA-N
-rxn:4:220132:225434,O=C(C1CC(=O)N(c2[nH]nc3cc(-c4cccc(OCC5CCCC5)c4)ccc23)C1)N1CCCC1,RYLPJXRPSKYNQX-UHFFFAOYSA-N
-rxn:4:220136:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,FMBLBZXUQDMBHO-UHFFFAOYSA-N
-rxn:4:220158:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccccc3S(=O)(=O)N3CC4CN(c5cnccn5)CC4C3)c2)CC1,HNLIKABUNYMJPF-UHFFFAOYSA-N
-rxn:4:220204:226340,N#Cc1cc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)c(Cl)c(C2CC2)c1,WENSLEVHAJINAU-UHFFFAOYSA-N
-rxn:4:220222:222584,Cc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,RVVPHWRWPHWAPR-UHFFFAOYSA-N
-rxn:4:220415:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(C5CCC5)CC4)nc3)c2)CC1,SPDYKXXXSNWPQE-UHFFFAOYSA-N
-rxn:4:220429:225222,CC1CCCCN1c1cc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)c(F)cn1,GNTDTSPCGNVXKD-UHFFFAOYSA-N
-rxn:4:220536:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c(F)cc(F)c2s1,JVHWORRNVJOXRW-UHFFFAOYSA-N
-rxn:4:220536:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c2)CC1,GEAJHMXPIVVOSZ-UHFFFAOYSA-N
-rxn:4:220536:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)cc2)CC1,KWKWFTIALKVIKB-UHFFFAOYSA-N
-rxn:4:220537:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)ccc2C)CC1,KSZTYKZLWPSXAO-UHFFFAOYSA-N
-rxn:4:220545:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(N5CCc6sccc6C5)CC4)nc3)cc2F)CC1,WZFUYJOHSMPZCP-UHFFFAOYSA-N
-rxn:4:221092:223682,FC(F)(F)c1ccc2c(cnn2C2CCCCO2)c1-c1cnc(OCC2CCN(CCn3cccn3)CC2)nc1,DTMFAELDVKMDLZ-UHFFFAOYSA-N
-rxn:4:221100:224757,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(Cl)cc(C(=O)N4CCOCC4)c3)cn2)CC1,ZOYAFPFDOHCWHT-UHFFFAOYSA-N
-rxn:4:221106:224634,COc1ccc(-c2cncc(C(=O)N3CCC(CN(C)c4nccnc4OC)CC3)c2)cc1CN1CCOCC1,YFFKUSSJTYSXOX-UHFFFAOYSA-N
-rxn:4:221110:224981,CN1CCN(CC#CCOC2CCN(c3ncc(-c4cc(C5CC5)cc(-n5ccnc5)c4)cn3)CC2)CC1,HESNVEHAZGFPED-UHFFFAOYSA-N
-rxn:4:221116:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc(OCC)c(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1,KXQIUFCZWHHFBB-UHFFFAOYSA-N
-rxn:4:221126:225158,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(C(=O)N6CCSCC6)cc5)cc4)nnn3c3ccsc23)C1,HRTWZOLWHCMKJA-UHFFFAOYSA-N
-rxn:4:221129:226502,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccn(C(=O)OC(C)(C)C)c5)cc4)nnn3c3ccccc23)CC1,NPAHLFBVFOIYHH-UHFFFAOYSA-N
-rxn:4:221145:222389,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,NJYOISJEXNLNPQ-UHFFFAOYSA-N
-rxn:4:221145:222742,CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1-c1cc(C2CCNCC2)nc(C2CC2)c1,LQNJDOWPQVEUJV-UHFFFAOYSA-N
-rxn:4:221160:222723,Cc1nc(CN2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)no1,YZMBWWOWHRUDQU-UHFFFAOYSA-N
-rxn:4:221169:222432,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)c5ccccc45)cn3)C2)cn1,FBWVHVLGRNEHAR-UHFFFAOYSA-N
-rxn:4:221171:222632,CCc1ncnc(N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)c1F,IJRPEDDPRBTEDW-UHFFFAOYSA-N
-rxn:4:221180:225313,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)CC2)nn1C,VWAWZHFXEGKCKD-UHFFFAOYSA-N
-rxn:4:221198:224759,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)CC2)nn1,POZZFIMPHNGOHQ-UHFFFAOYSA-N
-rxn:4:221208:223531,Cc1cc(N2CCN(CCc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3)CC2)nc(N2CCOCC2)n1,KFDPFVWWWDHZTH-UHFFFAOYSA-N
-rxn:4:221208:225745,Cc1cc(N2CCN(CCc3ccc(-c4ccc(CC(C)C)c([N+](=O)[O-])c4)cc3)CC2)nc(N2CCOCC2)n1,NDMLUGOFRABRRC-UHFFFAOYSA-N
-rxn:4:221394:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,NEKZXAJSDYEDBN-UHFFFAOYSA-N
-rxn:4:221410:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(CN4CCN(c5cc(N(C)C)ncn5)CC4)cc3)cc2)CC1,NEODNYCFGRCOMF-UHFFFAOYSA-N
-rxn:4:221449:226675,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCC5)nc4Cl)cc3)CC2)n1,YCCSCJONOOPDDA-UHFFFAOYSA-N
-rxn:4:221502:222546,Fc1cc(-c2cnccc2OC2CCN(c3nccn4nc(C5CC5)cc34)C2)ccc1OCCNC1CCCCC1,JRMPLXUONHGSIM-UHFFFAOYSA-N
-rxn:4:221572:225528,CCN(CC)C(=O)c1ccccc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1,ORCQIEXJFZHAIJ-UHFFFAOYSA-N
-rxn:4:221573:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(Cn3c(=O)c4c(nc5n4CC(C)CN5Cc4ccccc4)n(C)c3=O)cc2)c1,GGFCRLYXWLQQOS-UHFFFAOYSA-N
-rxn:4:221725:223501,Cc1cnn(CC2CN(c3ccc4c(C)c(-c5ccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c(Cl)c5)c(C)nc4n3)C2)c1,DANREVMKUOJRRZ-UHFFFAOYSA-N
-rxn:4:221730:223649,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,WQRCXGFHYCJHHQ-UHFFFAOYSA-N
-rxn:4:221736:224273,Cc1nc2c(c(N3CC4CN(C(=O)c5cncc(-c6cc7ncccc7n6C(=O)OC(C)(C)C)c5)CC4C3)n1)CCC2,ZZJWNWFYSJFOCM-UHFFFAOYSA-N
-rxn:4:221773:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1,PQDDPPBWHACDER-UHFFFAOYSA-N
-rxn:4:221943:223542,CN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CC(n5cc(CN6CCCC6=O)nn5)C4)c3)ccc2OC(F)(F)F)CC1,GDPMYENIJGOIQJ-UHFFFAOYSA-N
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-rxn:4:222611:186773,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OCCN2CCCC2)cc1F,NVNPDIRZGWBYCH-UHFFFAOYSA-N
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-rxn:4:222611:194749,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12,FPPZRKFKMYEEIA-UHFFFAOYSA-N
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-rxn:4:222910:204115,CCCNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)c(C)c1,ZKUHYJQERCRGQM-UHFFFAOYSA-N
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-rxn:5:177891:227093:227278,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cccnc3C3CCCC3)cn2)CC1,SHEKFABWNWIWDQ-UHFFFAOYSA-N
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-rxn:5:178118:225674:227804,O=[N+]([O-])c1cc(-c2ccc(-c3cnc(C4CCCCC4)cc3F)c(OCC3CCCCO3)c2)c([N+](=O)[O-])s1,DETFBCSUCXIUEI-UHFFFAOYSA-N
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-rxn:5:178224:226861:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(OCC2CCCCC2)cc(-c2ccc(OC(F)(F)F)c(F)c2)c1,NSFJZWCBAFEAKM-UHFFFAOYSA-N
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-rxn:5:178467:227703:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,BVYSWPOGCPTPAA-UHFFFAOYSA-N
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-rxn:5:179418:225805:225803,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccnc(OC3CCOCC3)c2)s1)N1CCOCC1,XCEARILFXDZZDN-UHFFFAOYSA-N
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-rxn:5:179629:225620:226661,COc1ccc(-c2ccc(OC3CCOCC3)cc2)c(S(C)(=O)=O)c1-c1cc(N2CCN(C)CC2)cs1,DIRULUVMWBCUFW-UHFFFAOYSA-N
-rxn:5:180021:225985:227404,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1cc(N2CCCCC2)cs1,ARPIMTMJQUVJEE-UHFFFAOYSA-N
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-rxn:5:180022:225986:226182,COc1c(-c2cccnc2C2CCCCC2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,AKSHHXRAXADBDZ-UHFFFAOYSA-N
-rxn:5:180092:225655:223064,CC1CCN(c2cncc(-c3cc(C#C[Si](C)(C)C)cc(-c4ccc(C5CCNCC5)nc4F)c3)c2)CC1,LUVUFJHVCRDEJL-UHFFFAOYSA-N
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-rxn:5:180267:226045:225940,CSc1cc(C(C)(C)C)cc(-c2ccc(C(F)(F)C(F)(F)F)nc2)c1-c1cc(C(F)(F)F)cnc1C1CC1,RULRQOFXJKKJNH-UHFFFAOYSA-N
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-rxn:5:180297:225987:227119,COc1cc(-c2ccc(N3CCCS3(=O)=O)cc2)c(C2(C)OCCO2)cc1-c1cc(C2CCCCC2)cs1,DUPQBCWMQIKYBY-UHFFFAOYSA-N
-rxn:5:180422:226064:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(C2CCCCC2)cc1,QDWFSEPLZULYBD-UHFFFAOYSA-N
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-rxn:5:180662:223062:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,RZVCRRDVTKWUHE-JXMROGBWSA-N
-rxn:5:180662:225597:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccc(OC4CCCCC4)nc3)c2OC1,RMEXBLPODZYUHP-UHFFFAOYSA-N
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-rxn:5:180662:226425:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccc(N4CCCCC4C)s3)c2OC1,KHJYHPRKKTZTRI-UHFFFAOYSA-N
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-rxn:5:180662:227710:225600,COC(=O)C1=Cc2cc(-c3cccnc3OC3CCCCC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,HYSMNZDKYCUVIV-UHFFFAOYSA-N
-rxn:5:180662:227710:225605,COC(=O)C1=Cc2cc(-c3cc(C)cnc3OC3CCCC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,QIDIDSYMOGOGEO-UHFFFAOYSA-N
-rxn:5:180662:227710:225613,COC(=O)C1=Cc2cc(-c3ccnc(OC4CCCCC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,LACDGTSNGNTNEU-UHFFFAOYSA-N
-rxn:5:180662:227710:225655,COC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,FSHDFSLPTNWEHR-UHFFFAOYSA-N
-rxn:5:180662:227710:226571,COC(=O)C1=Cc2cc(-c3cnn(CC4CCOCC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,NFKKSEYZQMHODH-UHFFFAOYSA-N
-rxn:5:181626:225832:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2c(C)nn(C3CCCCO3)c2C)c1C1OCCO1,FPFDGWKSDAPUDF-UHFFFAOYSA-N
-rxn:5:181628:225832:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2c(C)nn(C3CCCCO3)c2C)cc1C1OCCO1,DYLCHWCRFDKLLI-UHFFFAOYSA-N
-rxn:5:181630:225832:225439,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(C2OCCO2)c1-c1cccc(C(C)N2CCCC2)c1,JAULKZHDSKUTLE-UHFFFAOYSA-N
-rxn:5:181904:225832:226364,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(N2CCCCC2)nc1,YSWSOXSXZKVDAP-UHFFFAOYSA-N
-rxn:5:181905:222959:226686,Cc1cc(-c2c(C)ccc(-c3c(C)cnn3C3CCCCO3)c2C2OCCO2)ccc1C1CCNCC1,NMQZCJUTBXYFPI-UHFFFAOYSA-N
-rxn:5:181906:225653:226686,Cc1ccc(-c2ccc(N3CCCCC3C)nc2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,AVTITXFNLFSLFD-UHFFFAOYSA-N
-rxn:5:181908:225805:225985,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cccc(N3CCCS3(=O)=O)c2)cc1C1OCCO1,XXKPYJKMFYXSPX-UHFFFAOYSA-N
-rxn:5:181908:226686:222958,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2c(C)cnn2C2CCCCO2)cc1C1CCNCC1,AIXJYEDNYLXJKU-UHFFFAOYSA-N
-rxn:5:182009:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnn2C2CCCCO2)cc1C1CCOCC1,AUGDVCOUPRMQAN-UHFFFAOYSA-N
-rxn:5:182009:226330:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C(C)N3CCCC3)s2)c(C2CCOCC2)c1,YWBRKWUSJOIUBL-UHFFFAOYSA-N
-rxn:5:182010:222998:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2cc(F)cc(C3CCCNC3)c2)c1,VFMWXJXFWSFXTL-UHFFFAOYSA-N
-rxn:5:182012:225683:222959,Cc1cc(-c2ccc(-c3ccc(C4CCCOC4)nc3C)cc2C2CCCOC2)ccc1C1CCNCC1,AARRNYLDWZYPQA-UHFFFAOYSA-N
-rxn:5:188597:225585:225613,CCOc1ccc(-c2ccccc2CN2CCOCC2)c([N+](=O)[O-])c1-c1ccnc(OC2CCCCC2)c1,MAXPQOAPCXZLAX-UHFFFAOYSA-N
-rxn:5:188931:223054:228698,CCC(=O)c1ccc(-c2c(C(=O)OC)cc(-c3ccc(C(C)N4CCC(O)C4)s3)cc2S(N)(=O)=O)s1,AMEDWPMAHWFYOQ-UHFFFAOYSA-N
-rxn:5:189078:225976:225982,CCN(C)C(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cnc(N2CCOCC2)cc1F,ISAQWTAZVOXPMP-UHFFFAOYSA-N
-rxn:5:189079:223018:226030,CCN(C)C(=O)c1ccc(-c2cc(F)c(OC)c(C(F)(F)F)c2)c(-c2ccc3c(c2)NC(=O)C(C)(C)O3)c1,DCFZBEUOTFSUQI-UHFFFAOYSA-N
-rxn:5:189083:225976:225982,CCN(C)C(=O)c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1cnc(N2CCOCC2)cc1F,CTYYHFJPTMJQOD-UHFFFAOYSA-N
-rxn:5:189083:225976:226662,CCN(C)C(=O)c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1ccc(N2CCN(C)CC2)s1,NLDNHNJINUYGJE-UHFFFAOYSA-N
-rxn:5:189083:225982:226662,CCN(C)C(=O)c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1ccc(N2CCN(C)CC2)s1,KAJJHQFPUTXZEQ-UHFFFAOYSA-N
-rxn:5:189208:225823:226748,COc1cc(C(F)(F)F)ccc1-c1cc(-c2cc(C(C)C)cc(C(F)(F)F)c2)ccc1C(=O)ON1C(=O)CCC1=O,RHBISNAOOJBLRG-UHFFFAOYSA-N
-rxn:5:189212:222985:228510,Cc1nc(C2CCCNC2)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccccc1C(C)C,NYGFPYPJWJENDR-UHFFFAOYSA-N
-rxn:5:189323:223054:225597,CC(c1ccc(-c2cnc(-c3ccc(OC4CCCCC4)nc3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,REJXPGAXEPHEHS-UHFFFAOYSA-N
-rxn:5:189337:226347:225976,COc1c(-c2cc(C)c(F)cc2OC(C)C)cc(C(=O)N(C)C)cc1-c1ccnc(N2CCOCC2)c1F,WHASUSNIFXQEOU-UHFFFAOYSA-N
-rxn:5:189673:225499:227045,CC(C)(C)Sc1cccc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2/C=N/S(=O)C(C)(C)C)c1,PEFXTBVCHGAXJK-FADJLKOXSA-N
-rxn:5:189676:227018:225407,CC(C)(C#N)c1ccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2ccc(C3CCCCCC3)cc2)cc1,XOQJSPMGPBZWDG-UHFFFAOYSA-N
-rxn:5:189718:227713:225945,O=[N+]([O-])c1cc(-c2ccc(C#CC(F)(F)F)c(F)c2)c(-c2cc(F)ccc2OC(F)F)cc1OC1CCOCC1,VXUOMYRDSFKTJC-UHFFFAOYSA-N
-rxn:5:189827:226743:223241,CCc1cc(-c2cc(CC(=O)N3CCOCC3)ccc2-c2cncc(C3CCNC3)c2)cc(C(F)(F)F)n1,IOWXROURFJZEIA-UHFFFAOYSA-N
-rxn:5:189908:225810:227710,COc1ccc(-c2cnc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCCCC3)c2)c(C2OCCO2)c1,BVGCKDDFKTVRSY-UHFFFAOYSA-N
-rxn:5:189908:226319:226150,O=C(c1ccc(-c2cnc(-c3cccc(SC4CCCC4)c3)c(OCC3CCCCC3)c2)cc1)N1CCC1,JGBJLBWGJGHLNW-UHFFFAOYSA-N
-rxn:5:189910:226134:226351,Cc1cc(-c2ccc(-c3cc(C#N)cc(C4CC4)c3C)cc2CCN2CCOCC2)cc(OC(C)C)c1F,FZCVMPWQLHNHLF-UHFFFAOYSA-N
-rxn:5:189952:226364:223006,COc1c(-c2ccc(N3CCCCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1ccc(F)c(C2CCNCC2)c1,YQBOEJSWOQACRI-UHFFFAOYSA-N
-rxn:5:190127:227052:226149,COc1ccc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C(=O)N2CCC(OC)CC2)cc1C(C)(C)C,XYHZQLODZQBIPH-UHFFFAOYSA-N
-rxn:5:190128:227348:227052,COc1ccc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(SC(C)(C)C)cc2)c(C)c1OC,WKCAEIPWZUSYMI-UHFFFAOYSA-N
-rxn:5:190128:227592:227052,COc1cc(F)cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(SC(C)(C)C)cc2)c1OC,BMLZZELIUMKAHL-UHFFFAOYSA-N
-rxn:5:190194:226452:227710,COC1CCN(Cc2cccc(-c3ccc(C4OCCCO4)cc3)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,YHZNTJDHNNIWHB-UHFFFAOYSA-N
-rxn:5:190194:227710:226452,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2ccc(C3OCCCO3)cc2)CC1,GLQIJPWVNNSSSN-UHFFFAOYSA-N
-rxn:5:190195:225655:222417,CC1CCN(c2cncc(-c3ccc(CN(C)C4CCOCC4)cc3-c3cnc(=O)[nH]c3C(C)C)c2)CC1,XOJRYEDWYFDCKJ-UHFFFAOYSA-N
-rxn:5:190196:223186:227348,COc1ccc(-c2cc(-c3cnn(C4CCCCO4)c3)ccc2CN(C)C2CCOCC2)c(C)c1OC,MILJMNBYTQGEQX-UHFFFAOYSA-N
-rxn:5:190197:223006:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(F)c(C3CCNCC3)c2)c1,SNPZQSDZNLJOBV-UHFFFAOYSA-N
-rxn:5:190197:227037:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN(C)C2CCOCC2)c(-c2cc(C#N)ccc2C2CC2)c1,LZESVONWESCFPE-UHFFFAOYSA-N
-rxn:5:190199:222417:225976,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1CN(C)C1CCOCC1,VOVACZUMOJTSLB-UHFFFAOYSA-N
-rxn:5:190200:223357:225794,CC(=O)Nc1ccccc1-c1cc(CN(C)C2CCOCC2)cc(-c2cnc(OC3CCCCC3)nc2)c1,SZQXJSKZDHVMHX-UHFFFAOYSA-N
-rxn:5:190201:225784:223113,CC1CN(CCc2cc(-c3ccc(CN4CCOCC4)nc3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,FSZKWLNQIIFMIV-UHFFFAOYSA-N
-rxn:5:190264:223437:223008,CC1CCN(C(=O)Cc2ccc(-c3cc(C4CCNCC4)ccc3F)c(-c3cc(C#N)[nH]c(=O)c3)c2)CC1,NELNZRMRZGTODC-UHFFFAOYSA-N
-rxn:5:190264:225886:225601,CC1CCN(C(=O)Cc2ccc(-c3ccc(C4(C#N)CCC4)cc3F)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)CC1,DOEXJLTYOGCOTD-UHFFFAOYSA-N
-rxn:5:190264:226029:228021,CCOc1c(F)c(F)c(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cc(C)cc(C(C)=O)c2)c(F)c1F,PBJKDJVSTLHKJI-UHFFFAOYSA-N
-rxn:5:190308:227769:226759,COc1cc(-c2ccc(-c3cc([N+](=O)[O-])cnc3OC)cc2CCN2CCCC(C)C2)cc(C(F)(F)F)c1,GIPARPRGNWOQJC-UHFFFAOYSA-N
-rxn:5:190335:228180:227052,COCc1cc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(SC(C)(C)C)cc3)c2OC)ccc1F,NVDOGRQVYZOKPR-UHFFFAOYSA-N
-rxn:5:190336:225886:227525,CCc1cnc(C(F)F)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c1OC,LUJGHADYMCUXTC-UHFFFAOYSA-N
-rxn:5:190418:226710:223004,Cc1cc(-c2ccc(C3CCNCC3)c(F)c2)ccc1N1C(=O)CC(Cc2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)cc2)C1=O,UHNIDMPADGSYFO-UHFFFAOYSA-N
-rxn:5:190421:228502:225603,Cn1cc(C(F)(F)F)c(-c2ccc(-c3ccc(C=C4SC(=S)N(c5cccc(-c6cccc(C7(C#N)CCC7)c6F)c5)C4=O)o3)cc2)n1,UHCYLXVFMPFOQS-UHFFFAOYSA-N
-rxn:5:190484:223240:227506,O=C(c1cccc(-c2ccc(C3CCNC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(/C=C/[N+](=O)[O-])c2)S(=O)(=O)CC1,ZJWBDBOFOCOHKQ-NBVRZTHBSA-N
-rxn:5:190484:227019:227861,CC(C)(C#N)c1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc5c(c4)CCCC5)S(=O)(=O)CC3)c2)c1,VJECOIBAXQFJCH-UHFFFAOYSA-N
-rxn:5:190484:227506:223242,O=C(c1cccc(-c2cccc(/C=C/[N+](=O)[O-])c2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCNC3)c2)S(=O)(=O)CC1,IMIADZNSBXKUGS-QGOAFFKASA-N
-rxn:5:190484:227826:227415,CC(C)(C)c1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4F)S(=O)(=O)CC3)c2)c1,PFWKKWKDGXGFPS-UHFFFAOYSA-N
-rxn:5:190484:227970:225499,CC(C)(C)c1cnccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C4CCCCC4)cc3F)S(=O)(=O)CC2)c1,USPDDMBQLZXUTO-UHFFFAOYSA-N
-rxn:5:190484:228388:227079,Cc1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(CC(C)C)ccc3F)S(=O)(=O)CC2)c1,GYLFLMUMLQWYQB-UHFFFAOYSA-N
-rxn:5:190740:225849:225834,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,XYGVTPCYUJNNJN-UHFFFAOYSA-N
-rxn:5:190740:226661:225976,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCN(C)CC4)cs3)cc2c1-c1ccnc(N2CCOCC2)c1F,QEPZKGKFTCQKEG-UHFFFAOYSA-N
-rxn:5:190741:223062:225655,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)cc(C)cc2c1-c1cncc(N2CCC(C)CC2)c1,HNOWWCLNMFEOAO-UHFFFAOYSA-N
-rxn:5:190741:225849:225655,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1cncc(N2CCC(C)CC2)c1,VOOOHYUMNZMELD-UHFFFAOYSA-N
-rxn:5:190741:225980:225834,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,MQEOWVWQHISDQW-UHFFFAOYSA-N
-rxn:5:190742:223006:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(C4CCNCC4)c3)c2c1-c1ccc(C2CCNCC2)nc1F,CKJIWRLOVDMRNM-UHFFFAOYSA-N
-rxn:5:190742:223062:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccnc(N2CCCCC2)c1F,BUWYDBVMTFEYLL-UHFFFAOYSA-N
-rxn:5:190742:225805:226679,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCOCC4)s3)c2c1-c1cnc(N2CCCC2)cc1F,QKMBEWCNLKSFGX-UHFFFAOYSA-N
-rxn:5:190742:225834:223064,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccc(C2CCNCC2)nc1F,NGQXJFYBOVQURI-UHFFFAOYSA-N
-rxn:5:190742:225849:225849,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1cnc(N2CCCCC2)cc1F,RCVDFMYQKOKKEO-UHFFFAOYSA-N
-rxn:5:190742:225881:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3F)c2c1-c1cnc(C2CCNCC2)cc1F,VWTDIWJQBRNVFZ-UHFFFAOYSA-N
-rxn:5:190742:225976:225881,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(C2CCOCC2)nc1F,ZKWXMLBUBCQMMD-UHFFFAOYSA-N
-rxn:5:190742:226571:223065,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1ccc(N2CCNCC2)cc1F,CRESQSQMMRKSSK-UHFFFAOYSA-N
-rxn:5:190744:225655:225833,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,DPIWEPZDWJZXAL-UHFFFAOYSA-N
-rxn:5:190744:225833:223063,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1cc(F)nc(C2CCNCC2)c1,YBQYYXJYZAPRJB-UHFFFAOYSA-N
-rxn:5:190744:225849:225633,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCCCCC2)nc1,HGZZBEGCBPQQGO-UHFFFAOYSA-N
-rxn:5:190797:225925:226768,CSc1ccc(-c2cc(-c3cc(S(=O)(=O)N(C)C)ccc3C)cc3c2ccn3C(=O)OC(C)(C)C)cc1C(F)(F)F,WYXLPGRTQZVTSU-UHFFFAOYSA-N
-rxn:5:190832:225655:225849,CCOC(=O)c1cnc2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)c(C)c2c1-c1cnc(N2CCCCC2)cc1F,CLSOKCHSCRWXDR-UHFFFAOYSA-N
-rxn:5:190832:226664:225849,CCOC(=O)c1cnc2cc(C)c(-c3cc(N4CCCC4)ncc3F)c(C)c2c1-c1cnc(N2CCCCC2)cc1F,ZZPWFMUYIPSXBT-UHFFFAOYSA-N
-rxn:5:190832:226794:225437,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCSCC4)nc3)c(C)c2c1-c1cccc(CN2CCCCC2)c1,GOWPIYKZYFLVGS-UHFFFAOYSA-N
-rxn:5:190833:223250:228275,COc1c(F)cc(C)cc1-c1ccc(-c2ccc3c(c2)NC(=O)CO3)c2c1CN(C(=O)OC(C)(C)C)C2=O,SUHRLHUURILEFM-UHFFFAOYSA-N
-rxn:5:190859:228139:226844,COc1cc(C#N)cc(-c2ccc3c(c2-c2ccnc(C(=O)C(F)(F)F)c2)CCN3C(=O)OC(C)(C)C)c1,NZIZGRGQCRBCSY-UHFFFAOYSA-N
-rxn:5:190993:225655:223006,CC1CCN(c2cncc(-c3ccc4c(c3)CN(CCc3ccc(-c5ccc(F)c(C6CCNCC6)c5)cc3)C(=O)CO4)c2)CC1,RQZUCNPGJXWJDB-UHFFFAOYSA-N
-rxn:5:191026:227076:227350,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(OC)cc(C)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,JJXNRSLGLXSIAC-UHFFFAOYSA-N
-rxn:5:191026:227076:228467,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(=O)OC)sc4F)c2)C=C(C(=O)OC)S3(=O)=O)c1,UPCQHGAFLWAPNZ-UHFFFAOYSA-N
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-rxn:5:197876:225671:227811,CC(C)Cc1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,ILCRSIKBFGBPDJ-UHFFFAOYSA-N
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-rxn:5:197876:225814:227826,CC(C)(C)c1cccc(-c2cc3c(cc2-c2cccc(C4(C(F)(F)F)CC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JVUPSEHIPCIAPD-UHFFFAOYSA-N
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-rxn:5:197876:225816:229084,CC(C)c1ncsc1-c1cc2c(cc1-c1cc(C3CC3)ccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,VMCLWZHSEOPCCP-UHFFFAOYSA-N
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-rxn:5:197876:225944:227907,CCC(C)c1cncc(-c2cc3c(cc2-c2c(F)cc(F)c(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LBIMXOQHSVRGAO-UHFFFAOYSA-N
-rxn:5:197876:225982:228508,CC(C)c1cccc(-c2cc3c(cc2-c2cnc(N4CCOCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UYNPTWBRTPGJFL-UHFFFAOYSA-N
-rxn:5:197876:226031:225461,Cc1cc(N2CCCCC2)ccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,FMXQQUJQPAFZJX-UHFFFAOYSA-N
-rxn:5:197876:226031:226371,Cc1cc(N2CCCC2)ncc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,GMTUQMGEYKBVGA-UHFFFAOYSA-N
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-rxn:5:197876:226059:227818,CCC(C)c1cccc(-c2cc3c(cc2-c2ccc(C(C)C)cc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YIACENTZCRGICT-UHFFFAOYSA-N
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-rxn:5:197876:226155:225814,CC(=O)c1cc(-c2cc3c(cc2-c2cccc(C4(C(F)(F)F)CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,VUQKOYBZTQPDON-UHFFFAOYSA-N
-rxn:5:197876:226190:226768,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,DICHUDVUBCNVBH-UHFFFAOYSA-N
-rxn:5:197876:226191:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LSQAPWKQJPVVNI-UHFFFAOYSA-N
-rxn:5:197876:226191:227276,CCc1cc(N(C)C)ncc1-c1cc2c(cc1-c1cc(C3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PBYRBGUEGXDWQS-UHFFFAOYSA-N
-rxn:5:197876:226191:228245,CC(=O)c1ccc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,IHJUQWKUBSKLIN-UHFFFAOYSA-N
-rxn:5:197876:226191:228320,COC(=O)c1cc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,VDJWCRVGNHWTHU-UHFFFAOYSA-N
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-rxn:5:197876:226326:227821,CCc1c(C)cc(C)cc1-c1cc2c(cc1-c1cccc(C3(C#N)CC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,AYAXTBLSYMDHTJ-UHFFFAOYSA-N
-rxn:5:197876:226331:225465,CN1CCC(c2cccc(-c3cc4c(cc3-c3ccc(C5(C#N)CC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)c2)CC1,XWDCJMLIKOXGGD-UHFFFAOYSA-N
-rxn:5:197876:226331:228222,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,LHXQQYFUWNORKH-UHFFFAOYSA-N
-rxn:5:197876:226428:228790,CC1CCCCN1c1csc(-c2cc3c(cc2-c2cccc(C(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,IXGVZYQIHCSBQX-UHFFFAOYSA-N
-rxn:5:197876:226432:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1ccc(C3CCCC3)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,FAFBLTPYGJSCHC-UHFFFAOYSA-N
-rxn:5:197876:226432:227927,CCC(=O)c1cccc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KMRRCZYGCJDLOW-UHFFFAOYSA-N
-rxn:5:197876:226441:227823,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1ccc(N3CCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,KTIXZZIULYNJTH-UHFFFAOYSA-N
-rxn:5:197876:226449:228388,Cc1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccccc1C1(C)OCCO1)S(=O)(=O)N(C(C)(C)C)C2=O,VJCFHUSZGDSFJS-UHFFFAOYSA-N
-rxn:5:197876:226589:226146,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(SC3CCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,TYALDSXWBRIETG-UHFFFAOYSA-N
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-rxn:5:197876:226589:227107,Cc1cc(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c(C2CC2)c1,BJKAHGZYEJPODZ-UHFFFAOYSA-N
-rxn:5:197876:226589:227113,Cc1cc(F)c(C2CC2)cc1-c1cc2c(cc1-c1cc(C(F)F)ncc1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,UGPDWRNKFFXJQL-UHFFFAOYSA-N
-rxn:5:197876:226594:227904,CCN(C)c1ccc(-c2cc3c(cc2-c2c(F)cc(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,QQGARNWPBQSRAQ-UHFFFAOYSA-N
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-rxn:5:197876:226761:228463,CSc1ccc(-c2cc3c(cc2-c2ccc(OC(F)F)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(F)(F)F)c1,KKUOKGMUGVZOPP-UHFFFAOYSA-N
-rxn:5:197876:226762:227292,CSc1cc(-c2cc3c(cc2-c2ccc(F)c(CN(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,HKCHBTQJODSADS-UHFFFAOYSA-N
-rxn:5:197876:226762:227740,CSc1cc(-c2cc3c(cc2-c2cc(C)nc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,SYAVENDBJSHJNB-UHFFFAOYSA-N
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-rxn:5:197876:226762:228261,CSc1cc(-c2cc3c(cc2-c2c(SC)ccc(F)c2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,ZQXWAUJZOIGDHD-UHFFFAOYSA-N
-rxn:5:197876:226762:228794,CSc1cc(-c2cc3c(cc2-c2ccc([Si](C)(C)C)s2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,QIMYFGMLIIWGPU-UHFFFAOYSA-N
-rxn:5:197876:226768:227926,CSc1ccc(-c2cc3c(cc2-c2ccc(SC(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,BHEWNOBZQSRURW-UHFFFAOYSA-N
-rxn:5:197876:226827:228107,CCC(C)c1ncncc1-c1cc2c(cc1-c1ccc(C(F)(F)F)c(C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,LXIJEHGBBTYPNA-UHFFFAOYSA-N
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-rxn:5:197876:226851:227989,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2cc(OC)ncc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OKKCLPIPJDLHBO-UHFFFAOYSA-N
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-rxn:4:186659:225126,COc1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cc(F)ccc1OCC1CCCO1,BEUAPCKKRJEYDM-UHFFFAOYSA-N
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-rxn:4:186751:222843,Cc1ccc(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)c(C(=O)NC(C)(C)C)c1,LDAAAVQFFGDZFO-UHFFFAOYSA-N
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-rxn:4:186789:223831,COc1ccc(-c2ccc(C#N)c(OCC3CCOCC3)c2)cc1S(=O)(=O)N1CCC(C)CC1,DSHPNTMMZJNKQM-UHFFFAOYSA-N
-rxn:4:186795:222722,O=S(=O)(c1cccc(-c2cc(CN3CCCC3)cc(OC(F)(F)F)c2)c1)N1CCC(O)CC1,GQTRDCPTHSYWRE-UHFFFAOYSA-N
-rxn:4:186811:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc(OC3CCN(CC(F)(F)F)C3)c(F)c2)c1,VQQAZTXCLVXTDT-UHFFFAOYSA-N
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-rxn:4:186888:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc(C(=O)N(CC)C3CCS(=O)(=O)C3)o2)c1F,LNZUZVKSIGBKRP-UHFFFAOYSA-N
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-rxn:4:187006:224764,COC(=O)c1cc(-c2ccc(C(=O)N3CCOCC3)cc2F)ccc1CN1CCC(F)(F)C1,DCRNUORLVPESBG-UHFFFAOYSA-N
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-rxn:4:187089:224682,COc1cc(-c2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc(OC)c1C(=O)N1CCC(F)(F)C1,MRFLUKGFDHOATO-UHFFFAOYSA-N
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-rxn:4:187142:224191,CCN1C(=O)C(=Cc2cc(OC)c(OC)cc2-c2cc(O[Si](C)(C)C(C)(C)C)ccc2OC)SC1=S,BHRQHPZRFNCRDG-UHFFFAOYSA-N
-rxn:4:187152:225938,O=C(Cc1ccc(F)cc1-c1cc(C(F)(F)F)ncc1C1CC1)N1CCC(C(F)(F)F)CC1,VRFITCVMYQQCJV-UHFFFAOYSA-N
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-rxn:4:187376:225262,COc1cc(C(=O)N(C)OC)ccc1-c1ccc(S(=O)(=O)CC(=O)N2CCCC(C)C2)cc1,IWERDLKUWXXHQL-UHFFFAOYSA-N
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-rxn:4:189725:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(CC(=O)N2CCC(F)(F)C2)ccc1Cl,PWGDXFFVJHITKM-UHFFFAOYSA-N
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-rxn:4:189922:224325,COC(=O)c1cnc(C2CCOCC2)cc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,RACRNOXKFLXHJZ-UHFFFAOYSA-N
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-rxn:4:190071:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(C(F)(F)F)CC3)c2)cn1,BLKIFXYVKRWGSP-UHFFFAOYSA-N
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-rxn:4:190227:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cc(S(C)(=O)=O)ccc3CN3CCOCC3)c2)CC1,PETJCTDVORFTCC-UHFFFAOYSA-N
-rxn:4:190228:224659,CN1CCN(C(=O)c2cccc(-c3ccc(C4CCCN4S(=O)(=O)C4CC4)cc3)c2)CC1,PNAAQAQPDUKZCZ-UHFFFAOYSA-N
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-rxn:4:190330:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(C3CCCN3S(=O)(=O)C(C)C)cc2)c(C(F)(F)F)c1,VJBLFPGMVLITKA-UHFFFAOYSA-N
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-rxn:4:190473:225408,Cc1cc(-c2cc3c4c(c2)CCCN4CCC3)c(S(=O)(=O)N(C)C2CCCCC2)cc1C,MUBFWUUNCSZTDP-UHFFFAOYSA-N
-rxn:4:190486:224627,CN(C)C1CN(C(=O)c2ccc(-c3ccc(C4CCCN4CC4CCCCC4)cc3)cc2)C1,GJXLCSFXKJYSDS-UHFFFAOYSA-N
-rxn:4:190487:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C)c(S(=O)(=O)N2CC(C)CC(C)C2)cc1OC,PKMZFKMXOPUTPZ-UHFFFAOYSA-N
-rxn:4:190497:224318,CC1CCCN(Cc2cc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cc(C(C)(C)C)c2)C1,MUUCVEJWKFNINE-UHFFFAOYSA-N
-rxn:4:190785:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccccc2CC(=O)N2CC3CC2CS3)cc1,OBMIJZAPXRMBBC-UHFFFAOYSA-N
-rxn:4:190827:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc4c3CN(C(=O)OC(C)(C)C)C4=O)c(F)ncc21,MSLVYQKSESFWIW-UHFFFAOYSA-N
-rxn:4:190855:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2scc3c2CCN(C(=O)OC(C)(C)C)C3)c1,LSGPXQPBRCBCJL-INIZCTEOSA-N
-rxn:4:190865:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)C(C)(C)C)c(C(F)(F)F)c1,WAAGGAYMPQBGLB-UHFFFAOYSA-N
-rxn:4:190885:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)CCN4C(=O)c3cccc(C(F)(F)F)c3)c(F)c2)CC1,WAIBEULWJKALEN-YHBQERECSA-N
-rxn:4:190897:224752,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C)o1,PRGNOARJDSJHLV-UHFFFAOYSA-N
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-rxn:4:190975:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)CCN3C(=O)OC(C)(C)C)cc1,NEWJZEPCJNSPQT-UHFFFAOYSA-N
-rxn:4:190991:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3c(c2)SCCN(C(=O)OC(C)(C)C)C3)c1,HJORYFAQPNPHTA-UHFFFAOYSA-N
-rxn:4:191006:225435,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2ccccc2CN2CCCCC2)cc1,PHAUULMPUHMMAM-UHFFFAOYSA-N
-rxn:4:191039:222876,CC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)cc1F,YVLKGAMNAITPAT-UHFFFAOYSA-N
-rxn:4:191041:223664,CS(=O)(=O)C1CC2CCC(C1)N2C(=O)c1cccc(-c2ccc(COc3ccc(OC(F)(F)F)cc3)cc2)c1,BSSFWBGGFZFNAH-UHFFFAOYSA-N
-rxn:4:191041:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)c3)c2)CC1,GKDZSJBJRIXSNW-UHFFFAOYSA-N
-rxn:4:191089:225744,CC(C)(C)OC(=O)c1cncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)c1,QSEIUOXJGMZCJS-UHFFFAOYSA-N
-rxn:4:191097:226241,COC(=O)CCc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,VGXBGNKDJSNIGL-UHFFFAOYSA-N
-rxn:4:191098:225656,CC1CCCCN1c1cncc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)OC(C)(C)C)C2)O3)c1,PYQSMNUCWGTLBO-UHFFFAOYSA-N
-rxn:4:191107:225172,COc1cc(-c2cc(CN3CCOCC3)ccc2F)cc2cc(C(=O)N3CC(C)CC(C)C3)c(=O)oc12,IVTKGMWEPSTZIC-UHFFFAOYSA-N
-rxn:4:191121:228431,CSc1c(F)cc(F)cc1-c1ccc2c(c1F)C(=O)C1(CCN(C(=O)OC(C)(C)C)CC1)C2,IPPJICHXKUWRKJ-UHFFFAOYSA-N
-rxn:4:191125:226544,COC(=O)c1ccc(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1,OVZZZZCHPFBWJK-UHFFFAOYSA-N
-rxn:4:191133:224732,Cc1ccc(C(=O)C2=CN(c3cccc(-c4ccc(S(=O)(=O)OCC(C)(C)C)cc4)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1,JXEZSYGAYPVDIJ-UHFFFAOYSA-N
-rxn:4:191180:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccc2oc3c(c(=O)c2c1)C(c1ccccc1)N(CC1CCCO1)C3=O,JFHNTHDYLGWZRH-UHFFFAOYSA-N
-rxn:4:191187:224681,O=C(c1ccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(F)cc2)N(CC2CCCO2)C4=O)cc1F)N1CCCCC1,FKQVKBRPSDYWGZ-UHFFFAOYSA-N
-rxn:4:191194:222758,Cc1cc(-c2ccc3c4c(cccc24)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)ccc1NC(=O)OC(C)(C)C,KVVRZSGJJFAZCJ-UHFFFAOYSA-N
-rxn:4:191195:228429,CSc1ccc(F)c(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)c1F,GALIRHZYWHWCIE-UHFFFAOYSA-N
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-rxn:4:192830:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4cccnc4)c(C(F)(F)F)c3)cc2)CC1,CCTODHNFPVFWGA-UHFFFAOYSA-N
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-rxn:4:193443:223533,CC1(C)COC(Cc2cccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c2)=N1,ZAYUQQAONFPWMZ-UHFFFAOYSA-N
-rxn:4:193518:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N=C2C=CC(=O)C=C2C)cc1,QWRUERHSYPVODD-UHFFFAOYSA-N
-rxn:4:193642:223535,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)ccc3N3CCCC(F)(F)C3)cc2F)cc1,MMLVCBXFCFDWEY-UHFFFAOYSA-N
-rxn:4:193697:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2C=CN(S(C)(=O)=O)CC2)cc1,NNYIAFOFQMXKHR-UHFFFAOYSA-N
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-rxn:4:202729:223157,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cc(F)cc(C(=O)NCC)c3)ccc21,RGYPNTHWVRKZRC-UHFFFAOYSA-N
-rxn:4:202736:225061,CCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccc(N4CCC(C)CC4)cc3F)ccc21,NBZMFWFXNRYJGE-UHFFFAOYSA-N
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-rxn:4:202807:224462,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1,PMQPYDYSZGRNPY-UHFFFAOYSA-N
-rxn:4:202807:224482,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(OCCCN3CCCC3)c2)cc1,JOECLHWQBAXCPQ-UHFFFAOYSA-N
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-rxn:4:202819:224288,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N(C)C(=O)OC(C)(C)C)cc4Cl)ccc2OC3c2ccc(C(C)C)cc2)cc1,ULXIHRGTYWGRKY-UHFFFAOYSA-N
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-rxn:4:203022:223670,Cc1cc([N+](=O)[O-])cc(CC#N)c1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,PUMNSCHRBHNPFM-UHFFFAOYSA-N
-rxn:4:203545:225010,O=C(c1ccc(-c2ccc(F)c(CN3CCCCC3)c2)o1)N1CC(N2C(=O)CSC2=O)C1,DZKBQSAJLZPXIA-UHFFFAOYSA-N
-rxn:4:203757:225368,O=S(=O)(c1cncc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)c1)N1CCC(C(F)(F)F)CC1,ZHOWHFVKRPLWQL-UHFFFAOYSA-N
-rxn:4:203814:224167,CCN1CCN(C(=O)c2ccc(-c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)cc2Cl)CC1,UPKYYQNJZJHANP-UHFFFAOYSA-N
-rxn:4:203827:224931,CCN(CC)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)cc(C2CC2)n1,VKHBEQVUJZQFQC-UHFFFAOYSA-N
-rxn:4:203835:222514,COc1ccc(-c2ccc(C3=NN(S(C)(=O)=O)C(c4ccco4)C3)cc2)cc1S(=O)(=O)NC1CCCCC1,CQUHUGRTJFZQKX-UHFFFAOYSA-N
-rxn:4:203884:222723,CN1CCN(S(=O)(=O)Cc2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2)CC1,DGCYPYJMYZRKHH-UHFFFAOYSA-N
-rxn:4:204013:224125,CN(C)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(CN3CCN(C4CC4)CC3)cc2)CC1,OTJWZPGBFTZYIZ-UHFFFAOYSA-N
-rxn:4:204017:224488,CC(C)N(C(=O)c1ccc(-c2cccc(CN3CCN(S(C)(=O)=O)C(C)C3)c2)cc1)C(C)C,OVWFREDSYBDZFV-UHFFFAOYSA-N
-rxn:4:204115:223192,CNS(=O)(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)ccc1F,PPJRZMANCVMEIQ-UHFFFAOYSA-N
-rxn:4:204118:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccccc3C(=O)N3CCCN(C4CCSC4)CC3)c2)C1,HCXSWGQOAWDEBS-UHFFFAOYSA-N
-rxn:4:204157:224670,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3cc(CN4CCN(C)CC4)ccc3F)cc2)CC1,MUWWROGGNZHXHZ-UHFFFAOYSA-N
-rxn:4:204169:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCOC(C)C2)c(N2CCCCC2)c1,FWKNAGPDHFLKCG-UHFFFAOYSA-N
-rxn:4:204403:223597,COCn1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c1C12CCCC1O2,MRJQHXURHSKVNY-UHFFFAOYSA-N
-rxn:4:204510:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(n2)CN(C(=O)OC(C)(C)C)C3)cc1,IWUBTWKMURWGRR-UHFFFAOYSA-N
-rxn:4:204557:224690,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc(CN4CCC(=O)CC4)cc3F)cnc21,WAJOZKNEWRDSFO-UHFFFAOYSA-N
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-rxn:4:204577:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc4c(=O)n(C)n(C(=O)OC(C)(C)C)c4c3)cnc21,YGKASOVXJPFWDO-UHFFFAOYSA-N
-rxn:4:204668:223542,Cc1sc2nc(SCc3ccccc3-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)n(C)c(=O)c2c1C,SQPADBVLVQHBCU-UHFFFAOYSA-N
-rxn:4:204690:223926,CCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4)cc32)SC1=S,HQGUGNXUTLSNSI-UHFFFAOYSA-N
-rxn:4:204752:225283,CCC(C)c1cc(-c2ccc(C(=O)N=C3SC4CS(=O)(=O)CC4N3c3ccccc3)cc2)cnc1C(F)(F)F,FFLXEQSUFUHPMD-UHFFFAOYSA-N
-rxn:4:204799:225825,CN1CCN(c2ccc(-c3ccc(N4C=C(C(=O)N5CCCC5)S(=O)(=O)c5ccc(F)cc54)cc3)cn2)CC1,CQFKKDQTQKXXFX-UHFFFAOYSA-N
-rxn:4:204804:227438,O=C1CCC(=O)N1C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccnc(C2CCOC2)c1,AOQUCOZXQVOIMJ-UHFFFAOYSA-N
-rxn:4:204808:225054,CC1CCCCN1c1ccc(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)c(Cl)c1,PEGNQGBQSNYURI-UHFFFAOYSA-N
-rxn:4:204817:223998,Cc1ccccc1N1C(=O)N(Cc2cccc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)c2)c2ccccc2S1(=O)=O,FFSWQOQRWHYMSV-UHFFFAOYSA-N
-rxn:4:204830:222913,O=C(C1=CN(c2cccc(-c3ccc(CNS(=O)(=O)C4CC4)cc3)c2)c2ccccc2S1(=O)=O)N1CCCCC1,DBJCEOXNYZRJOO-UHFFFAOYSA-N
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-rxn:4:212542:223687,CCOCC(=O)N1CCCC(Oc2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)C1,WUAJZMFKUMSLPQ-UHFFFAOYSA-N
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-rxn:4:212653:224608,COC(=O)c1cc(OCC2CC2)cc(-c2nc(C(=O)OC)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,XHUIGCANVUTCSJ-UHFFFAOYSA-N
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-rxn:4:212669:224175,COc1cnc(OC2CCN(C(=O)c3cc(OC)ccc3-c3cc(OC)ccc3C(=O)OCC(C)(C)C)CC2)nc1,KZXOSMKPIZSOEL-UHFFFAOYSA-N
-rxn:4:212727:224613,Cc1ccccc1-n1c(-c2ccc(-c3cccc(N(C)C(=O)OC(C)(C)C)c3)cc2)cnc1SCC(=O)N1CCCCC1,UIGWGYMNAKPBAW-UHFFFAOYSA-N
-rxn:4:212729:222948,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cnc(N6CCC(O)CC6)nc5Cl)cc4)C3)n2)cc1OC,NCUZYWHQDCIILM-UHFFFAOYSA-N
-rxn:4:212745:224501,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(OCC4CCCCN4C)cc3)c2)CCN1C(=O)OC(C)(C)C,LZKCUQQRTNBFJU-UHFFFAOYSA-N
-rxn:4:212750:227571,CCOc1cc(F)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c2)cc1Cl,CBAPOSYVYYGZJD-UHFFFAOYSA-N
-rxn:4:212751:229269,CCn1ncc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)n1,QCHUPVBSJZZXAT-UHFFFAOYSA-N
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-rxn:4:212833:225564,COC(=O)C(C)(C)c1cccc(-c2ccccc2C(=O)N(CCN2CCOCC2)c2nc3cc(C)cc(C)c3s2)c1,NNLJDABMRWTNFN-UHFFFAOYSA-N
-rxn:4:212904:222724,Cc1cc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cnc1C(=O)N(C)CCN(C)C,HFUHMQGOJJOKCR-UHFFFAOYSA-N
-rxn:4:212918:223784,CCN1CCN(CCOc2ccc(-c3cnn(CC4CN(C(=O)OC(C)(C)C)C4)c3)cc2F)CC1,ZZXUSANICAVQKD-UHFFFAOYSA-N
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-rxn:4:212944:223755,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)CC1,ZHBOYVCFQNLFAC-UHFFFAOYSA-N
-rxn:4:212988:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3nc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cs3)cc2)CC1,ZCBRIWWJNROFQU-UHFFFAOYSA-N
-rxn:4:212989:225984,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)s2)CC1,RIMUTTXFKSHVJS-UHFFFAOYSA-N
-rxn:4:212998:224817,COc1ccc(-c2ccccc2S(=O)(=O)N2CCOCC2)c(C(=O)N2CCC(Oc3nncs3)CC2)c1,DXMOZNPBADFRLS-UHFFFAOYSA-N
-rxn:4:213053:223035,CC(C)(C)C(=O)Nc1ncccc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,XISKWZVJNYAGTI-UHFFFAOYSA-N
-rxn:4:213070:223916,CC(C)N1CCN(C(=O)c2ccc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,NSONWBZLRFXVJJ-UHFFFAOYSA-N
-rxn:4:213112:224153,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(N4CCCC4)cc(N4CCCC4)c3)C2)nn1,WHVCZOAGUQMDOF-UHFFFAOYSA-N
-rxn:4:213114:223482,O=S(=O)(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)C1,DMSGKSHQOVMMQV-UHFFFAOYSA-N
-rxn:4:213115:222676,CC(C)(C)OC(=O)NCc1ccc(F)cc1-c1cnc(OCC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1,JUQROFSKBVFHHE-UHFFFAOYSA-N
-rxn:4:213127:225515,CC1(C)COc2cccc(-c3ccnc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2OC1,VSPCLOZVSAZASE-UHFFFAOYSA-N
-rxn:4:213131:225898,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,ORNVGBVOBJWTST-UHFFFAOYSA-N
-rxn:4:213135:223169,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3cnc(C4CCNCC4)nc3)cn2)CC1,BRSOEGQVJSXZJA-UHFFFAOYSA-N
-rxn:4:213153:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3[N+](=O)[O-])c2)CC1,ANYZLZFUMBGPGK-UHFFFAOYSA-N
-rxn:4:213178:223812,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)c(C)o1,HDKKSKOUAVCVQR-UHFFFAOYSA-N
-rxn:4:213185:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C(=O)N4CCN(Cc5nc(-c6ccccc6)cs5)CC4)o3)ccc2F)CC1,OGAPZRBKKCOCDP-UHFFFAOYSA-N
-rxn:4:213203:222841,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCCC5)cc4)cc3)CC2)nn1,QHYZYJOJRMHTAF-UHFFFAOYSA-N
-rxn:4:213242:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3ccc(C4=NN(S(=O)(=O)c5ccccc5)C(c5cccc([N+](=O)[O-])c5)C4)cc3)c2)C1,AEVKDCVOZRMYAS-UHFFFAOYSA-N
-rxn:4:213243:224198,CCN1CCN(Cc2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)c(F)c2)CC1,RXNLMMNODIWIRH-UHFFFAOYSA-N
-rxn:4:213249:224491,CC(C)N(Cc1cc(-c2cccnc2OC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)ccc1F)C(C)C,QQQVQKSWWCBGEC-UHFFFAOYSA-N
-rxn:4:213264:222542,Cc1ccc(-c2ccc(CC(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)cc2)cc1OCCCN1CCNCC1,KZCUYWFAIGRHBD-UHFFFAOYSA-N
-rxn:4:213271:225024,COc1ccc(-c2ccc(-c3ccc(OC)cc3C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)cn2)cc1,WCVKLUACFOHOLM-UHFFFAOYSA-N
-rxn:4:213281:223758,COc1cc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc(OC)c1OCc1ccccc1,GBIDKCYMFFFXHB-UHFFFAOYSA-N
-rxn:4:213281:226083,COc1c(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)ccc2ccccc12,HUSRUEZPUNDERZ-UHFFFAOYSA-N
-rxn:4:213305:223480,CC(=O)N(CCN(C)C)c1nc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cc2s1,NZUHEUKZKIBXQH-UHFFFAOYSA-N
-rxn:4:213378:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OC3CCCN(C(=O)Cc4cccc5ccccc45)C3)nc2)CC1,GEGZYOZKYLLSDV-UHFFFAOYSA-N
-rxn:4:213480:225227,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCC(C)CC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,DLAPMEOKPMPCIO-PCBPTNJRSA-N
-rxn:4:213481:227448,COC12CC(COC(=O)c3cncc(-c4ccc(C5COC5)c(F)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,BJBOSHDRKWZHKG-UHFFFAOYSA-N
-rxn:4:213690:224312,CN1CCN(C(=O)c2cc(-c3cnc(OC4CCN(C(=O)C5CCC5)C4)nc3)ccc2F)CC1,NVYVXYBEWOANCV-UHFFFAOYSA-N
-rxn:4:213759:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)cn3)cc21,RLMSUCATCFMAAK-UHFFFAOYSA-N
-rxn:4:213786:222630,Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CCC3)nc(C3CCNCC3)c2)C1,FQDWPAAZPKRVLL-UHFFFAOYSA-N
-rxn:4:213798:225622,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccccc3OC3CCCCO3)cn2)C1,YWTULIHCLHCHGY-UHFFFAOYSA-N
-rxn:4:213840:225144,CC(C)(C)OC(=O)N1CCCC(n2ccnc2-c2ccc(N3CCOCC3)cc2C#N)C1,XBDGTFACIPHYMQ-UHFFFAOYSA-N
-rxn:4:213889:225872,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cc(F)c(F)c(N4CCCC4)c3)ncn2)C1,AGTNILAYVQCPSL-UHFFFAOYSA-N
-rxn:4:213892:225980,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(N3CCOCC3)ncc2F)CC1,VVQPDARWLJFRME-UHFFFAOYSA-N
-rxn:4:213905:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC(Cn5ccnc5)CC4)cc3)c(F)c2)CC1,FTLGGQJTPIHZQQ-UHFFFAOYSA-N
-rxn:4:213908:224101,CC1CCN(CCOc2cccc(-c3ccc(C(=O)N4CCC(c5nnc(C(C)C)o5)CC4)o3)c2)CC1,XRNZKXZSKBAZSF-UHFFFAOYSA-N
-rxn:4:213930:224249,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4cc(C(=O)N5CCCC(C)C5)ccc4F)cn3)C2)cc1F,VNXNDJBCTWDIML-UHFFFAOYSA-N
-rxn:4:213937:224569,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cc(F)cc(OCC4CCCCC4)c3)CC2=O)ccn1,RAIPYPBNVDGHTK-UHFFFAOYSA-N
-rxn:4:213954:224501,CN1CCCCC1COc1ccc(-c2cnccc2OC2CCN(C3CCN(C4CC4)C3=O)C2)cc1,ATUACBFWSHXUON-UHFFFAOYSA-N
-rxn:4:213972:225102,CCN(CC)C(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)ccc1F,NVWFFCFFQRNTQE-UHFFFAOYSA-N
-rxn:4:213980:224421,CC(C)c1cc(C(C)C)c(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c(C(C)C)c1,NCKMMFCJJLEQAE-UHFFFAOYSA-N
-rxn:4:213986:222613,CCCNS(=O)(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c(C(F)(F)F)c1,FFTKQOQLWWFVQA-UHFFFAOYSA-N
-rxn:4:213994:223522,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cncc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)c1,YLOXJGZGBQQGQF-HSZRJFAPSA-N
-rxn:4:214006:222439,COc1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c(C(=O)N2CCCC(c3cnn(C)c3)C2)c1,CCKLUYCJLGNMRH-UHFFFAOYSA-N
-rxn:4:214015:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(CN3CCC(C#N)CC3)c(N3CCOCC3)c2)c1,KQOLADJIKKXQON-UHFFFAOYSA-N
-rxn:4:214033:223737,CC(C)[C@H]1COC(c2cc(-c3ccc(C(c4ccccc4)N4CCCC4)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,OOEFGSVYYZFAEC-BDMLFTSDSA-N
-rxn:4:214033:225509,CC(C)[C@H]1COC(c2cc(-c3ccc4c(C5CC5)nn(C)c4c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,KXAIRULRTOUNNB-DNQXCXABSA-N
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-rxn:4:214043:224403,O=S(=O)(c1ccc(Cl)cc1)N1CCCC(c2nc(-c3ccccc3-c3cnc(N4CCOCC4)c(C(F)(F)F)c3)no2)C1,SMCCKVQZJBDBNS-UHFFFAOYSA-N
-rxn:4:214051:223168,CC(C)c1sc(-c2cccnc2N2CCNCC2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,IYKDZLLDRCGOPU-UHFFFAOYSA-N
-rxn:4:214060:226131,CC(C)(C)OC(=O)N1CC2(CCN(c3cncc(-c4ccccc4CN4CCCC4)c3)CC2)C1,FUMDSRRQIBNIFS-UHFFFAOYSA-N
-rxn:4:214061:222538,c1ccc([C@H]2COC(c3cc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc(C4=N[C@@H](c5ccccc5)CO4)n3)=N2)cc1,YPEGCHZGONRMNP-LQFQNGICSA-N
-rxn:4:214062:227251,CCCOc1ccc(F)cc1-c1ccc(CN2CCN(CC)CC2)c(N2CCOCC2)c1,XKGGKTIKASWRIL-UHFFFAOYSA-N
-rxn:4:214135:224008,CCN(CC)S(=O)(=O)c1c(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)nc2n1CCOC2,KXAMMAAHCCCTEV-UHFFFAOYSA-N
-rxn:4:214146:224718,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2ccc(OCCN3CCOCC3)nc2)C1,UEXMCHOOWAHQOV-UHFFFAOYSA-N
-rxn:4:214154:224768,CCOC(=O)c1cc(-c2cc(F)c(C(=O)N3CCCC3)c(F)c2)nc2c1cnn2C1CCCCO1,PWTCDWGYYYCPFK-UHFFFAOYSA-N
-rxn:4:214162:223812,O=C(c1cc2cc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)ccc2[nH]1)N1CCN(CC(F)(F)F)CC1,BCNHECUBPZVYCL-UHFFFAOYSA-N
-rxn:4:214202:224190,COc1ccc(-c2cnc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2)cc1O[Si](C)(C)C(C)(C)C,LWIVWIVTZONXBT-LEEZEASISA-N
-rxn:4:214236:225607,CC(c1ccc(-c2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)OC(C)(C)C)C3)s1)N1CCCCC1,LMVURVMTIUYHLZ-UHFFFAOYSA-N
-rxn:4:214276:225984,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cnc(Cl)c(N5CCOCC5)c4)cnc3[nH]2)CC1,GWPRAJZEWYTKTF-UHFFFAOYSA-N
-rxn:4:214296:222967,CC(C)CNC(=O)c1cccc(-c2ccc3nccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,KGHDURWWGWPKTN-UHFFFAOYSA-N
-rxn:4:214298:225179,CC(C)c1sc(-c2cccc(Cl)c2CN2CCOCC2)nc1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1,LQPHSOFDPOHOAZ-UHFFFAOYSA-N
-rxn:4:214304:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1nn(C2CCOCC2)c2c1CN(C(=O)OC(C)(C)C)CC2,FWSBBDMZVFXURV-UHFFFAOYSA-N
-rxn:4:214342:222806,CCCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4cc(C)nc5ccccc45)CC3)cc2)cc([N+](=O)[O-])c1,XQNGHDYNVRCBGG-UHFFFAOYSA-N
-rxn:4:214342:223573,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3)CC2)c2ccccc2n1,YYDHNFSKYLGAGA-UHFFFAOYSA-N
-rxn:4:214683:224621,CCN1CCN(C(=O)c2ncc(-c3ccc(OCCN4CCSCC4)cc3)cc2Cl)CC1,ONVSPTHOFDGTFO-UHFFFAOYSA-N
-rxn:4:214713:222584,O=C(C1CC1)N1CCN(c2ccncc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,HUEIIEVLVRUSES-UHFFFAOYSA-N
-rxn:4:214804:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnccc3N3CCOC(C(=O)N4CCCC4)C3)cc2F)CC1,VLDLHVGMFYRCDW-UHFFFAOYSA-N
-rxn:4:214819:226236,CCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCC2)C1,LJULNZJCYOPTMD-UHFFFAOYSA-N
-rxn:4:214820:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)c1,MFHIHSBJLISKOK-UHFFFAOYSA-N
-rxn:4:214820:226981,CCCCCCc1ccsc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(F)c1,YDVXYGOGWGEKHA-UHFFFAOYSA-N
-rxn:4:214835:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)c2)CC1,IGPSXNGHNOBFLR-UHFFFAOYSA-N
-rxn:4:214836:223028,CCCNC(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)c1,KWKHXKHYPCJCMK-UHFFFAOYSA-N
-rxn:4:214839:227577,CCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc(Cl)c1F,DVZXPYNDBUQZNX-UHFFFAOYSA-N
-rxn:4:214871:226179,O=C(C1CCCN(c2ncc(-c3cncc(C4CCCCC4)c3)cc2Cl)C1)N1CCOCC1,LOYVTEBJHRPGOW-UHFFFAOYSA-N
-rxn:4:214880:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,ZVDTUYFJCIWMJB-UHFFFAOYSA-N
-rxn:4:214881:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccnc3N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)cn2)CC1,VFXOOJLEXPZREK-UHFFFAOYSA-N
-rxn:4:215112:223812,CCC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3s2)CC1,OWHIPKBQBPAZHT-UHFFFAOYSA-N
-rxn:4:215131:222725,CCNS(=O)(=O)c1ccc(-c2c(C)nn(C(=O)C(C)N3C(=O)c4ccccc4C3=O)c2C)c(C(F)(F)F)c1,HYQDZISRKRLFEO-UHFFFAOYSA-N
-rxn:4:215148:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)c(F)c1,MVQTWHAPGCPDDY-UHFFFAOYSA-N
-rxn:4:215170:225904,CON(C)C(=O)c1ccc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,JXZKRMULYOIPKK-UHFFFAOYSA-N
-rxn:4:215170:227702,COC(=O)c1cnc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,QNUUZSHMKLQXPB-UHFFFAOYSA-N
-rxn:4:215197:224336,O=S(=O)(c1ccccc1-c1ccc(N2CCCCC2)cc1C(F)(F)F)N1CCC2CN(c3ccccn3)CC21,XHOGKZXUQSTAES-UHFFFAOYSA-N
-rxn:4:215299:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(C(C)=O)CC2)cc1,XPKCGLMOYQUGEE-UHFFFAOYSA-N
-rxn:4:215737:223840,COc1ccc(-c2cncc([N+](=O)[O-])c2N2CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1,SAJIWZSZBXCJIR-UHFFFAOYSA-N
-rxn:4:215740:223761,Cn1ncc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)c1C(=O)N1CCC(F)(F)C1,VBCPHKHBOUMHFG-UHFFFAOYSA-N
-rxn:4:215897:222729,CCCc1cc(-c2c(C)nn(S(=O)(=O)N3CCOCC3)c2C)cc(C2CCCNC2)n1,WGNOCEBFEJORKH-UHFFFAOYSA-N
-rxn:4:215990:223834,Cc1cc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,NNXLPZWIAVQWJB-UHFFFAOYSA-N
-rxn:4:216213:223838,CC(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cc2[nH]1,KBONZPOGHNVXNR-DEOSSOPVSA-N
-rxn:4:216288:222466,O=C(c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)o1)N1C2CCC1c1cncnc1C2,GSLDLHWMXRQPLE-UHFFFAOYSA-N
-rxn:4:217209:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nc(C)cc(N4CCCC(C)C4)n3)c(F)cc2C)CC1,UHCLWDKNVPHSPJ-UHFFFAOYSA-N
-rxn:4:218551:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2c(CN(C)C(=O)OC(C)(C)C)nn(C)c2C#N)CC1,MMHVAZMCBPFCOU-UHFFFAOYSA-N
-rxn:4:218589:224904,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)C5CCCCC5)cc4)cn3)C2)cc1,NTWPBLNFSJMGNN-UHFFFAOYSA-N
-rxn:4:218600:225877,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,RQMRHNDNGMQPNE-UHFFFAOYSA-N
-rxn:4:218618:224400,COc1ccc(CCC(=O)N2CCC(n3ccnn3)CC2)cc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,NRSYZRDDCKHVAA-UHFFFAOYSA-N
-rxn:4:218656:222507,COc1ccc(NC(=O)c2ccc(F)c(-c3cnc(OCC4CCCN(C(=O)c5cn(C)c(=O)cc5OC)C4)nc3)c2)cc1,PJQQEOWIKJGAMI-UHFFFAOYSA-N
-rxn:4:218666:225233,CC1CCCN(c2cc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)cnc2Cl)C1,QLKFAPBINGRBBE-UHFFFAOYSA-N
-rxn:4:218675:226532,CCOC(=O)c1cc(F)cc(-c2cncc(C(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)c2)c1,ODTOAUFCUKOBOA-UHFFFAOYSA-N
-rxn:4:218682:224502,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cccc(OCC5CCCCN5C)c4)cn3)C2)CC1,JYTYQNFADBOJDF-UHFFFAOYSA-N
-rxn:4:218687:224285,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCN5CCOCC5)cc4F)c3)CC2)nn1,HWWJGWFBHRRHFI-UHFFFAOYSA-N
-rxn:4:218695:225265,CCCCOc1c(F)cc(F)c(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2C)c1F,PXJRUWFRCZQDLL-UHFFFAOYSA-N
-rxn:4:218698:222684,O=C(C1CC(=O)N(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cc2)C1)N1CCN(CCc2ccncc2)CC1,YUCAMAAVHNSKEF-UHFFFAOYSA-N
-rxn:4:218711:226616,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccnc(-c4cncnc4)c3)CC2)CC1,GYULAAWLDCZGNJ-UHFFFAOYSA-N
-rxn:4:218787:224080,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2ccc(OCCCN3CCCCC3)cc2)c1,XBJFJETXOODYJK-UHFFFAOYSA-N
-rxn:4:218813:224309,CN(CC1CN(c2ncc(-c3c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c3F)cn2)C1)C(=O)C1CC1,AJXNEVNUZXHYTO-UHFFFAOYSA-N
-rxn:4:218847:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cnc(OC2CCN(C(=O)c3cccnc3OC)C2)nc1,NRPWKVWBHJKHGK-UHFFFAOYSA-N
-rxn:4:218867:225600,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccnc3OC3CCCCC3)c2)no1,HGFHOBWTMPEHBL-UHFFFAOYSA-N
-rxn:4:218867:225794,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(OC4CCCCC4)nc3)c2)no1,PVKMHASNZVCIRJ-UHFFFAOYSA-N
-rxn:4:218867:225825,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCN(C)CC4)nc3)c2)no1,WLZDNJHMBXTVSL-UHFFFAOYSA-N
-rxn:4:218867:226183,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnccc3C3CCCCC3)c2)no1,GJZQQHHJHUXBOY-UHFFFAOYSA-N
-rxn:4:218867:226324,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccnc3OC3CCCC3)c2)no1,FZSARADTHPYEJK-UHFFFAOYSA-N
-rxn:4:218868:225613,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(OC4CCCCC4)c3)cc2)no1,OXAAYYBPFSXHSE-UHFFFAOYSA-N
-rxn:4:218868:225794,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(OC4CCCCC4)nc3)cc2)no1,VDZMRNCSSAXANJ-UHFFFAOYSA-N
-rxn:4:218868:225833,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2)no1,CKPGWYVTGYBTKG-UHFFFAOYSA-N
-rxn:4:218868:226182,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccnc3C3CCCCC3)cc2)no1,LGMMOFWMDWVRGT-UHFFFAOYSA-N
-rxn:4:218868:226691,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(Cl)c(N4CCCC4)c3)cc2)no1,BBQXVJYCFUETOP-UHFFFAOYSA-N
-rxn:4:218964:222497,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(NC(=O)OCc5ccccc5)c(Cl)c4)cn3)C2)CC1,KRLFNOKXLVTKGP-UHFFFAOYSA-N
-rxn:4:218964:225156,CC(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cc(C(=O)N5CCCC5)ccc4F)cn3)C2)CC1,RPFWEJDOEPVGFC-UHFFFAOYSA-N
-rxn:4:218982:224490,O=C(c1cncc(-c2ccccc2OCCN2CCCCC2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,HCWRJOQTEVHTRG-UHFFFAOYSA-N
-rxn:4:218992:222826,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cn3)C2)CC1,BFUZMZRQVRAYIJ-UHFFFAOYSA-N
-rxn:4:218992:226531,CCOC(=O)c1cc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)ccc1Cl,VMZNGZICWUVUFE-UHFFFAOYSA-N
-rxn:4:219002:225192,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cc(OC5CCCCC5)ncc4F)cn3)C2)c1=O,NVFLDUBGLSAUJL-UHFFFAOYSA-N
-rxn:4:219016:224734,CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cncc(-c3ccc(C(F)(F)F)cc3OCC3CC3)c2)C1,HASZTXNQIMPCSC-UHFFFAOYSA-N
-rxn:4:219061:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1cnc(OC2CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)nc1,HWVWUYKAYGQXPJ-UHFFFAOYSA-N
-rxn:4:219063:224329,Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ncccc2-c2ccc(C(=O)N3CCC(=O)CC3)c(F)c2)CC1,DUIMTBLXJRDENN-UHFFFAOYSA-N
-rxn:4:219092:224188,CCCCCCn1c(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2Cl)nc2c1c(=O)n(C)c(=O)n2C,WRKGPLWQIWCSIJ-UHFFFAOYSA-N
-rxn:4:219093:223570,CCC(=O)C1=C(c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)N(C(=O)CC)n2cnnc2S1,UXVOUUROIJZNFP-UHFFFAOYSA-N
-rxn:4:219120:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c2Cl)CC1,CKMLCEMHKSROPE-UHFFFAOYSA-N
-rxn:4:219127:224960,COc1ccc(-c2ccccc2CCC(=O)N2C3CCC2CC(n2ccnn2)C3)cc1OC1CCCC1,KKTSJKYARDVELY-UHFFFAOYSA-N
-rxn:4:219134:222721,N#Cc1ccc(N2CC3CN(C(=O)Cc4ccccc4-c4cc(C5CCNCC5)nc(C(F)(F)F)c4)CC3C2)nc1,XRCGDCMCSVSLFP-UHFFFAOYSA-N
-rxn:4:219313:223534,Cc1noc(CN2CCC(Oc3ccncc3-c3cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc3F)C2)n1,BZDKVKYSZTZCAA-UHFFFAOYSA-N
-rxn:4:219338:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCN(C(=O)N(C)C)CC2)nc1,COYCFJALRCTWHN-UHFFFAOYSA-N
-rxn:4:219389:222522,COc1ccc(-c2cnc(OC3CCCN(S(=O)(=O)c4cccnc4)C3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,LNRPNAPDLPFUAZ-UHFFFAOYSA-N
-rxn:4:219402:223065,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(N4CCNCC4)cc3F)cn2)CC1,AHILATBMODEBRD-UHFFFAOYSA-N
-rxn:4:219404:225984,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,LEQHTNOSILCVHU-UHFFFAOYSA-N
-rxn:4:219405:225559,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCC4CCOC4)cc3)n2)CC1,NRGZTBZALDFMQQ-UHFFFAOYSA-N
-rxn:4:219423:223490,Cc1ccc(-c2cccc(-c3noc(Cn4nc(-c5ccc(F)cc5)ccc4=O)n3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,WNMRFHCQAVELND-UHFFFAOYSA-N
-rxn:4:219468:222634,O=C(N1CCOCC1)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,SQFLBWFOKKVMKB-UHFFFAOYSA-N
-rxn:4:219473:222546,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(OCCNC2CCCCC2)c(F)c1,PVGRYBNGFFQHJH-UHFFFAOYSA-N
-rxn:4:219473:224400,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,AATTZIYHFNWZCH-UHFFFAOYSA-N
-rxn:4:219490:223500,Cn1ncc(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,UARHBJIGDPGWNC-UHFFFAOYSA-N
-rxn:4:219494:222546,Cc1cc(N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCCC4)c(F)c3)C2)nc(C2CC2)n1,VTQYGIUBVKNWDJ-UHFFFAOYSA-N
-rxn:4:219498:222975,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(C(=O)NC2CC2)cc1C,ZAVZOSVVDVBFLV-UHFFFAOYSA-N
-rxn:4:219498:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)CC1,DQSVMTHUALMCRV-UHFFFAOYSA-N
-rxn:4:219501:222634,CSc1ncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,INTPVFVSENLZFE-UHFFFAOYSA-N
-rxn:4:219535:223917,CN(C(=O)c1cc(F)cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1)C1CCCCC1,BSVWHLFBKPEZRR-UHFFFAOYSA-N
-rxn:4:219540:223526,Cc1cc(N(C)C2CCN(C(=O)c3ccccc3-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)ncn1,XHMPGXHIRMZTRZ-UHFFFAOYSA-N
-rxn:4:219552:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1OC,DNLWEUGRTJIFGB-UHFFFAOYSA-N
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-rxn:4:219653:225212,CN1CCN(c2cc(F)cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c2)CC1,JDKSEPLDSHHZPN-UHFFFAOYSA-N
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-rxn:4:219706:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2cc1Cl,GJYWBGYJIDSFHO-UHFFFAOYSA-N
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-rxn:4:220430:224999,CC(c1ccc(-c2cnc(N3CCCN(C4CCSC4)CC3)nc2)cc1)N1CCOCC1,DLTHIIFCJBSYME-UHFFFAOYSA-N
-rxn:4:220518:223592,CCN1CCN(c2cnc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cc3n2)CC1,LWVAFNIJZBSFMC-UHFFFAOYSA-N
-rxn:4:220518:223593,CCN1CCN(c2cnc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3n2)CC1,RQPAQQHGCXOZJH-UHFFFAOYSA-N
-rxn:4:220518:223594,CCN1CCN(c2cnc3ccc(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3n2)CC1,POTMMOXDDBONNC-UHFFFAOYSA-N
-rxn:4:220518:223595,CCN1CCN(c2cnc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc3n2)CC1,MKGCPFPZYURGTC-UHFFFAOYSA-N
-rxn:4:220518:223596,CCN1CCN(c2cnc3ccc(-c4ccc(Cl)cc4N4CCN(C(=O)OC(C)(C)C)CC4)cc3n2)CC1,JGNMQVMHJYCNLW-UHFFFAOYSA-N
-rxn:4:220533:224582,c1cc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)nc2)cc(N2CCN(C3CC3)CC2)c1,ZUQISDKAFBHYQD-UHFFFAOYSA-N
-rxn:4:221098:222977,Cc1ccc(C(=O)NC2CC2)cc1-c1cnc(OCC2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)nc1,LYVFUJPDQKZURX-UHFFFAOYSA-N
-rxn:4:221107:224393,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cn3)C2)c(=O)c1C,DXZPPWNUROAXKS-UHFFFAOYSA-N
-rxn:4:221126:225726,CCOC(=O)c1ccc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCCC(C(=O)OCC)C3)c3sccc34)cc2)cc1OC,YWUCEAGWNIFBFG-UHFFFAOYSA-N
-rxn:4:221152:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)c(Cl)c2)CC1,VSWKYVMDVHKCRK-UHFFFAOYSA-N
-rxn:4:221155:224330,N#Cc1ccncc1N1CCCC(COc2ncc(-c3ccc(Cl)c(C(=O)N4CCC(=O)CC4)c3)cn2)C1,OVXAXSBLLCYXOE-UHFFFAOYSA-N
-rxn:4:221169:224325,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)cn1,BMNSFQVNLJZDLW-UHFFFAOYSA-N
-rxn:4:221171:222633,CCc1ncnc(N2CCCC(COc3ncc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cn3)C2)c1F,SAGOFIBLTXLITN-UHFFFAOYSA-N
-rxn:4:221172:225898,Cn1nc(C(=O)N2CCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)CC2)ccc1=O,KHZPWLKJJNNATF-UHFFFAOYSA-N
-rxn:4:221232:226283,CC(C)COc1ccc(F)c(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)c1,VZIFYLPNWCRADR-UHFFFAOYSA-N
-rxn:4:221344:223867,Cc1nc(N2CC(Cn3cc(-c4cccc(OCCCN5CCC(C)CC5)c4)cn3)C2)c(C#N)c(C)c1Cl,RVVXKGCYWPEWTB-UHFFFAOYSA-N
-rxn:4:221351:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)c2)CC1,LERKBXVNBMIBCJ-UHFFFAOYSA-N
-rxn:4:221351:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)cc2)CC1,UJDMHDMTXZYHJH-UHFFFAOYSA-N
-rxn:4:221351:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)nc2)CC1,PLJIDVZYELKVPO-UHFFFAOYSA-N
-rxn:4:221351:223992,Cc1ccc(-c2cnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,IOTXSWGABACFTL-UHFFFAOYSA-N
-rxn:4:221351:223993,Cc1cc(-c2cnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)nc2)ccc1S(=O)(=O)N1CCN(C)CC1,VXXMDJXJXJFHKC-UHFFFAOYSA-N
-rxn:4:221351:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CC(Cn3nc(C4CC4)ccc3=O)C2)nc1,MJPQGYNLRURNFT-UHFFFAOYSA-N
-rxn:4:221370:222540,COc1cc(N2CCN(c3nc(SC)ncc3-c3cccc(C(=O)NCCN4CCCCC4)c3)CC2=O)ccn1,IIQQSUAQHXTVCK-UHFFFAOYSA-N
-rxn:4:221375:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(c5cc(=O)n(C)cn5)C4)nc3)cc2F)CC1,FHHLICLBYOBIDL-UHFFFAOYSA-N
-rxn:4:221413:227681,COC(Cn1cc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)cn1)OC,XZXFORDFPLBXKR-UHFFFAOYSA-N
-rxn:4:221424:225301,Fc1cnc(OC2CCOCC2)cc1-c1cccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,SWPGVLFSXMUTBJ-UHFFFAOYSA-N
-rxn:4:221441:222851,CCc1cc(-c2cccc(CN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)c2)cc(C2CCNCC2)n1,UMSIRCSZGZLSKA-UHFFFAOYSA-N
-rxn:4:221641:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,HXHAQWJGBDGRRX-UHFFFAOYSA-N
-rxn:4:221726:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1,JVVKEPKSLKRTSQ-UHFFFAOYSA-N
-rxn:4:221937:222634,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)nn1,TUUFYVLHMZKPPY-UHFFFAOYSA-N
-rxn:4:221960:224265,O=C(c1cccc(-c2cc(C3CCCCC3)cc(C(F)(F)F)c2)c1)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1,LAMSIFDRMNJNHJ-UHFFFAOYSA-N
-rxn:4:221961:222634,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cncc(-c5ccc(OCCNC6CCCC6)c(F)c5)c4)CC3)nc2)cn1,DKYSPRUKPRBFQT-UHFFFAOYSA-N
-rxn:4:221965:225087,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(OCCCN(C)C)c(F)c5)cc4)CC3)nn2)CC1,HQQLINQRJZBQIB-UHFFFAOYSA-N
-rxn:4:221980:225975,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccnc(N6CCOCC6)c5Cl)c4)sc3n2)CC1,LNJMXGFNKGXCGA-UHFFFAOYSA-N
-rxn:4:222046:223838,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)CC1,HPZROEKEDKNECG-UHFFFAOYSA-N
-rxn:4:222055:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c1,UWDXXQLTAYKTLH-UHFFFAOYSA-N
-rxn:4:222056:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)cc2)CC1,OFTXXOSJGHIZGW-UHFFFAOYSA-N
-rxn:4:222062:222732,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCCCC5)cc4)cc3)CC2)n1,DSZMPIBSEJYVHX-UHFFFAOYSA-N
-rxn:4:222089:225165,COc1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)ccc1N1CCOCC1,PTOLPSNQEOVKJD-UHFFFAOYSA-N
-rxn:4:222108:222780,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(F)cc(C(=O)NCCN(C)C)c6)cc5)no4)C3C2=O)cc1F,PEOAGMGTZKHICV-UHFFFAOYSA-N
-rxn:4:222127:223530,Cn1nc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cc(F)ccc5CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)n[nH]3)CC2)c2ccccc21,NTRGOXHQEWLDJU-UHFFFAOYSA-N
-rxn:4:222168:224668,CCN1CCN(c2cc(F)cc(-c3cnc(N4CCN(c5cc(C6CCOCC6)ncn5)CC4)nc3)c2)CC1,KOEIPLCSNIMYOB-UHFFFAOYSA-N
-rxn:4:222171:223951,Cc1nc(C(C)(C)C)nc(N2CCN(c3ncc(-c4ccc(OCCN5CCN(C)CC5)c(F)c4)cn3)CC2)c1C,HLTHOJOKVNRURC-UHFFFAOYSA-N
-rxn:4:222185:223694,CCN1CCN(S(=O)(=O)c2cc(-c3[nH]nc4ncnc(N5CCN(c6ccccc6OC)CC5)c34)c(F)cc2C)CC1,JEOAGRGVCGBYSN-UHFFFAOYSA-N
-rxn:4:222273:224063,CC1CCCN(c2cc(-c3cncc(C(=O)N(C)C4CN(c5ccc6nnc(C7CCC7)n6n5)C4)c3)cc(C3CC3)c2)C1,BWNFZCBEWVJEMR-UHFFFAOYSA-N
-rxn:4:222284:223776,COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc7c(c6)CN(C(=O)OC(C)(C)C)CCO7)cc5)CC4)ncnc32)c1,PWSFLDHKHNFLCF-UHFFFAOYSA-N
-rxn:4:222297:222540,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5cccc(C(=O)NCCN6CCCCC6)c5)o4)CC3)ncnc21,WQJQPVUYUIKCKO-UHFFFAOYSA-N
-rxn:4:222305:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(Cl)cc5)CC4)o3)cc2Cl)CC1,FYXBUYIWOUYCLS-UHFFFAOYSA-N
-rxn:4:222332:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc1,CIIBKEPJFZTLNN-UHFFFAOYSA-N
-rxn:4:222335:222654,Cc1cc(N2CCN(c3ncc(-c4ccc(Cl)c(C(=O)NC5CCCCC5)c4)cn3)CC2)nc(N2CCCC2)n1,PLCGOPOWUAHGJI-UHFFFAOYSA-N
-rxn:4:222346:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CC5CN(c6ccc7nncn7n6)CC5C4)c3)cc2)CC1,FIBPXHBWAFJBDU-UHFFFAOYSA-N
-rxn:4:222347:223873,Cc1nnc2ccc(N3CCCN(C(=O)c4cncc(-c5ccccc5CCC(=O)N5CCC(C)CC5)c4)CC3)nn12,NYKGLHWWWCAISI-UHFFFAOYSA-N
-rxn:4:222351:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ccc6nc(C(C)(C)C)cn6n5)CC4)nc3)c(F)cc2C)CC1,FRPHKZDZYQIGRJ-UHFFFAOYSA-N
-rxn:4:222367:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)c(F)cc2C)CC1,IPLRDUHMXDVRQV-UHFFFAOYSA-N
-rxn:4:222451:219530,COc1ccc(CNS(=O)(=O)c2ccc(-c3cnc(OC4CCN(C5CCN(C6CC6)C5=O)CC4)nc3)cc2)cc1,XOSJGNYIFMPZBH-UHFFFAOYSA-N
-rxn:4:222513:203835,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C2=NN(S(C)(=O)=O)C(c3ccco3)C2)cc1,GOKSVSGEBIGTKO-UHFFFAOYSA-N
-rxn:4:222513:214667,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(c2ncon2)C1,VNJMLXGJDZPZBB-UHFFFAOYSA-N
-rxn:4:222523:175597,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(=O)OC(C)(C)C)c(C(F)(F)F)c1,RDEUEAIRWXCSNM-UHFFFAOYSA-N
-rxn:4:222523:177739,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2Cl)c(C(F)(F)F)c1,FEGQGTCONCFMAC-UHFFFAOYSA-N
-rxn:4:222523:189320,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)cnc2Cl)c(C(F)(F)F)c1,WWGFGNOFWXNFQQ-UHFFFAOYSA-N
-rxn:4:222601:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cccc3sc(NC(=O)OC(C)(C)C)nc23)cn1,BQXZVKVCFWOZGZ-UHFFFAOYSA-N
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-rxn:4:222630:218588,N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ncc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cn2)CC1,GYBSVWDIFIGTPY-UHFFFAOYSA-N
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-rxn:4:223570:197870,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)C(=O)N(C(C)(C)C)S4(=O)=O)c(F)ncc21,VJGZMMJWLPADNW-UHFFFAOYSA-N
-rxn:5:176865:226330:225978,COC(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)cc(OC)c1-c1ccc(C(C)N2CCCC2)s1,ZOBAPRICXLOFKN-UHFFFAOYSA-N
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-rxn:5:177180:225800:225639,CCOC(=O)c1c(C)cc(-c2ccc(C(=O)N3CCSC3)cc2)cc1-c1cccnc1N1CCC(C)CC1,MTFQSONQTQSPLQ-UHFFFAOYSA-N
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-rxn:5:177190:226335:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3COC3)c(C#N)c2)c1,LYGQZPINOFVCGY-UHFFFAOYSA-N
-rxn:5:177373:225930:223138,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2OCC2OCCO2)c1,OQICQQAWVGGAEN-UHFFFAOYSA-N
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-rxn:5:177736:226794:225639,CC1CCN(c2ncccc2-c2ccc(C(=O)OC(C)(C)C)cc2-c2cnc(N3CCSCC3)nc2)CC1,NAZTYBGIPACTET-UHFFFAOYSA-N
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-rxn:5:177891:223135:228339,COC(=O)c1cnccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccnc1C1CCCNC1,SLYLEWMZTIPLFC-UHFFFAOYSA-N
-rxn:5:177891:223136:222421,NS(=O)(=O)c1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccncc2C2CCCNC2)c1,OYVKIEGJJGNTSZ-UHFFFAOYSA-N
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-rxn:5:177891:223138:225631,CN1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCNCC4)c3)cc2)CC1,OBRCMEHYFWACPH-UHFFFAOYSA-N
-rxn:5:177891:223140:223284,CS(=O)(=O)Nc1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCCNC3)c2)cc1,KNVZYLYKSBWMQC-UHFFFAOYSA-N
-rxn:5:177891:223186:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1cnn(C2CCCCO2)c1,STYSAHXEAHIBIZ-UHFFFAOYSA-N
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-rxn:5:177891:226330:226645,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(N3CCOCC3)c2)s1)N1CCCC1,WFGMVOJHOOAUIW-UHFFFAOYSA-N
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-rxn:5:177891:226590:223242,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNC2)c1)c1ccccc1-c1ccc(OC2CCOC2)nc1,RDAMDBJAHXSUEI-UHFFFAOYSA-N
-rxn:5:177891:226643:226447,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOCC2)c1)c1ccccc1-c1ccc(N2CCOCC2)nc1,CZPNXNCQNUCZRB-UHFFFAOYSA-N
-rxn:5:177891:226645:223312,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CNC2)cc1)c1ccccc1-c1ccnc(N2CCOCC2)c1,ANQLDJCZVCVMGJ-UHFFFAOYSA-N
-rxn:5:177891:227085:223287,CNS(=O)(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCCC3)nc2)cc1,RAJZKUSPOMVWMR-UHFFFAOYSA-N
-rxn:5:177891:227085:223288,CNS(=O)(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCCC3)nc2)c1,ARXSPPICCRSIMH-UHFFFAOYSA-N
-rxn:5:177891:227093:222405,O=C1NC(=O)C(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cccnc3C3CCCC3)c2)N1,NXJCNEFTCLBAPM-UHFFFAOYSA-N
-rxn:5:177891:227390:223288,CNS(=O)(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnn2C2CCCCC2)c1,LERDAIIQXXSUDK-UHFFFAOYSA-N
-rxn:5:177891:227444:223287,CNS(=O)(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cncc(C3CCCO3)c2)cc1,IZEXVJOLTSTCSY-UHFFFAOYSA-N
-rxn:5:177891:227657:223139,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCNCC2)nc1)c1ccccc1-c1ccc(N2CCOCC2)s1,KVRCTDJKDUSKPU-UHFFFAOYSA-N
-rxn:5:177891:227657:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(N2CCOCC2)s1,DSDTYYSWPAIQAF-UHFFFAOYSA-N
-rxn:5:177891:228016:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1cc(C2CCCC2)cs1,XIJGTSLFOIPIOC-UHFFFAOYSA-N
-rxn:5:178225:226441:225834,Fc1cc(N2CCCC2)ccc1-c1cccc(OCC2CCCCC2)c1-c1cc(N2CCCCC2)ncc1F,TUSUZVJDXJLFEG-UHFFFAOYSA-N
-rxn:5:178295:223111:223113,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)C(=O)N4)ccc2-c2cccc3[nH]nc(C(C)C)c23)CCC(=O)CC1,HFIRBTVPYWEOCX-UHFFFAOYSA-N
-rxn:5:178295:225512:227077,CCC(C)c1ccc(-c2ccc(-c3cccc4cc([Si](C)(C)C)sc34)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,DJMWLVLJFCJIEG-UHFFFAOYSA-N
-rxn:5:178295:225886:227117,COC(=O)C1(c2cc(-c3cc(C4CC4)cc(C)c3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,MWCHXPRRPZRNAC-UHFFFAOYSA-N
-rxn:5:178295:226765:228146,CCc1cncc(-c2ccc(-c3ccc(C(=O)OC)c(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,IPAJNZVECJHLDG-UHFFFAOYSA-N
-rxn:5:178295:227045:228610,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)s3)ccc2-c2cccc(SC(C)(C)C)c2)CCC(=O)CC1,YNDOYVWBTXELEH-UHFFFAOYSA-N
-rxn:5:178295:227076:227704,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(F)F)ncc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AHOXCOJXHJWKDR-UHFFFAOYSA-N
-rxn:5:178295:227102:227051,CCC(=O)c1ccc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,SSKVVMKISGGSFR-UHFFFAOYSA-N
-rxn:5:178295:227102:227816,CCCc1ccc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,ODHOTJSXLZAZIC-UHFFFAOYSA-N
-rxn:5:178295:227106:227816,CCCc1ccc(-c2ccc(-c3cc(C4CC4)c(C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,VYVLGQLDHIQRGO-UHFFFAOYSA-N
-rxn:5:178295:227309:227560,CCC(C)c1cc(-c2ccc(-c3ccc(OC)c(C(F)F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,XQWIZAGMIRSDBJ-UHFFFAOYSA-N
-rxn:5:178295:227346:227816,CCCc1ccc(-c2ccc(-c3c(F)cc(CCC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,JQDKVAHABUSYJB-UHFFFAOYSA-N
-rxn:5:178295:227505:223137,COC(=O)C1(c2cc(-c3cncc(C4CCCNC4)c3)ccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)CCC(=O)CC1,NVDUCGZIHLPXSJ-FOWTUZBSSA-N
-rxn:5:178295:227524:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(OC)c(C#N)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,IBPYKKWEHNTRCN-UHFFFAOYSA-N
-rxn:5:178295:227525:227124,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(C)(C)C)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,UXPVJXLCRFMEHY-UHFFFAOYSA-N
-rxn:5:178295:227673:227819,CCc1cc(CC)cc(-c2ccc(-c3cccc(C(C)(F)F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,UAYORXZLUIGTDC-UHFFFAOYSA-N
-rxn:5:178295:228268:227718,COC(=O)C1(c2cc(-c3ccc(OC(F)F)cc3F)ccc2-c2ccc(C)c(F)c2SC)CCC(=O)CC1,XXWIMPOPJYTTJO-UHFFFAOYSA-N
-rxn:5:178295:228692:223063,COC(=O)C1(c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2-c2ccc(CN(C)C)s2)CCC(=O)CC1,XVCZNZMBPDCRHI-UHFFFAOYSA-N
-rxn:5:178295:229226:223064,COC(=O)C1(c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2-c2ccc(C#N)s2)CCC(=O)CC1,WGCCFSNTRFHUKD-UHFFFAOYSA-N
-rxn:5:178313:223202:225499,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3(O)CCC3)cc2)c(-c2ccc(C3CCCCC3)cc2F)c1,FNIWFCYGZRUGGY-UHFFFAOYSA-N
-rxn:5:178313:225453:223203,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2cccc(C3(O)CCC3)c2)c1,MIBXIWTUROJCIJ-UHFFFAOYSA-N
-rxn:5:178313:225677:226915,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCC3)nc2F)c(-c2ccc(C3CCCC3)cc2)c1,DYIRKMZANQPWOJ-UHFFFAOYSA-N
-rxn:5:178313:226060:226189,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CC3)cc(C3CC3)c2)c(-c2ccc(C3CCCC3)c(F)c2)c1,PAUVYLGZOXBKFH-UHFFFAOYSA-N
-rxn:5:178313:226069:226150,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3CCCCC3)c2)c(-c2cccc(SC3CCCC3)c2)c1,LKEAAUFBZCWMKZ-UHFFFAOYSA-N
-rxn:5:178313:226183:225499,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnccc2C2CCCCC2)c(-c2ccc(C3CCCCC3)cc2F)c1,GAADXZVSSSCPCT-UHFFFAOYSA-N
-rxn:5:178313:226739:226794,CC(=O)c1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cnc(N3CCSCC3)nc2)cc1[N+](=O)[O-],GKAIDFCNLDNJKU-UHFFFAOYSA-N
-rxn:5:178313:226980:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc3c2C(=O)CCC3)c(-c2cc(C3CCCCC3)ccc2F)c1,XPRTWTSWFMNAEO-UHFFFAOYSA-N
-rxn:5:178314:225395:223203,CC(C)(C)c1cc(-c2ccc(-c3cccc(C4(O)CCC4)c3)c(O[Si](C)(C)C(C)(C)C)c2)cc(C2CC2)c1,JDKPEICVKQRXKA-UHFFFAOYSA-N
-rxn:5:178314:225672:226916,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(F)nc(C3CCCCC3)c2)ccc1-c1cccc(C2=CCCC2)c1,NZJMZBAWUZQACU-UHFFFAOYSA-N
-rxn:5:178314:227718:225451,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(OC(F)F)cc2F)ccc1-c1ccc(SC2CCCCC2)cc1,SEFLWQNGXQXXHX-UHFFFAOYSA-N
-rxn:5:178315:225394:227045,CC(C)(C)Sc1cccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c1,OFEYGYRJSMXRNS-UHFFFAOYSA-N
-rxn:5:178315:225407:227100,Cc1cc(C2CC2)cc(F)c1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(C3CCCCCC3)cc2)c1,JUYJKUZXOPIXBX-UHFFFAOYSA-N
-rxn:5:178315:225436:227120,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(CN3CCCCC3)cc2)cc(-c2ccc(C3CCC3)cc2F)c1,SHOHMDPJYYRBAZ-UHFFFAOYSA-N
-rxn:5:178315:225451:226183,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2cnccc2C2CCCCC2)c1,UZEBLOFQNROGPA-UHFFFAOYSA-N
-rxn:5:178315:226067:225498,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCCC3)cc2)cc(-c2cc(C3CCCCC3)ccc2F)c1,SGCMYRNVVXEITR-UHFFFAOYSA-N
-rxn:5:178315:226150:226331,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCC3)c2)cc(-c2ccc(C3(C#N)CC3)cc2F)c1,WEHXZKCIIUBIBH-UHFFFAOYSA-N
-rxn:5:178353:226426:226794,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCC(C)CC4)s3)cc2C)ccc1-c1cnc(N2CCSCC2)nc1,SBFHQLKQZRWJCV-UHFFFAOYSA-N
-rxn:5:178353:226661:226794,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(N4CCN(C)CC4)cs3)cc2C)ccc1-c1cnc(N2CCSCC2)nc1,ONROSWLQUBQIAN-UHFFFAOYSA-N
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-rxn:5:178466:223063:225980,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1cc(N2CCOCC2)ncc1F,IOGGDFVUSGQXHS-UHFFFAOYSA-N
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-rxn:5:180297:225639:227448,COc1cc(-c2cccnc2N2CCC(C)CC2)c(C2(C)OCCO2)cc1-c1ccc(C2COC2)c(F)c1,WMNSSSDJKFRYPD-UHFFFAOYSA-N
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-rxn:5:180662:225794:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cnc(OC4CCCCC4)nc3)c2OC1,NKGZYIQDFGYZQA-UHFFFAOYSA-N
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-rxn:5:181907:223007:225683,Cc1cc(-c2cc(F)cc(C3CCNCC3)c2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,YXUMKDONJPQQLE-UHFFFAOYSA-N
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-rxn:5:181908:225594:225683,Cc1cc(-c2ccc(F)cc2CN2CCCC2)c(-c2ccc(C3CCCOC3)nc2C)cc1C1OCCO1,XYENBOZQOAEOAF-UHFFFAOYSA-N
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-rxn:5:182010:225438:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2ccc(C(C)N3CCCC3)cc2)c1,UOWXMMVDPQWEAG-UHFFFAOYSA-N
-rxn:5:182013:225832:223147,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CNCCO3)cc2)c(C2CCOCC2)c1,BIBCXENXRWZSEX-UHFFFAOYSA-N
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-rxn:5:189208:226750:228138,COc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(-c2ccc(CC#N)c(F)c2)c1,AKPLZZSUUCEZBL-UHFFFAOYSA-N
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-rxn:5:189665:227710:225632,CN1CCN(c2cccc(-c3cc(-c4ccc(OS(C)(=O)=O)cc4)cnc3OCC3CCOCC3)c2)CC1,DWOSAPUVBNRINO-UHFFFAOYSA-N
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-rxn:5:189672:227613:222960,Cc1cc(-c2c(/C=N/S(=O)C(C)(C)C)cccc2-c2cnn(C3CCOCC3)c2)cc(C2CCNCC2)c1,NOJAFTGYYKXFLU-QXUDOOCXSA-N
-rxn:5:189777:226837:226330,Cc1nn(CC(F)(F)F)c(C)c1-c1cc(-c2ccc(C(C)N3CCCC3)s2)ccc1CCN1CCCC1,QYRQSCDVCVQFLV-UHFFFAOYSA-N
-rxn:5:189827:225437:228312,COc1cnc(C#N)cc1-c1ccc(CC(=O)N2CCOCC2)cc1-c1cccc(CN2CCCCC2)c1,KJYWHGGREOAWKE-UHFFFAOYSA-N
-rxn:5:189827:226971:223064,O=C(Cc1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2ccc3c(c2)CCCOC3)c1)N1CCOCC1,OFADJHVSDJLVRX-UHFFFAOYSA-N
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-rxn:5:189952:226461:226028,COc1c(-c2ccc(C(F)(F)F)c(C#N)c2F)cc(C(=O)N2CCOCC2)cc1-c1cncc2c1ccn2C(C)=O,OJZUFUUVRHHKJE-UHFFFAOYSA-N
-rxn:5:189952:227983:226177,COc1c(-c2ccnc(C3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccccc1[Si](C)(C)C,NIZLBZSLLPKLDY-UHFFFAOYSA-N
-rxn:5:190127:225453:228118,COc1cccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2C(=O)N2CCC(OC)CC2)c1C#N,HQWGDCHTXXOZKW-UHFFFAOYSA-N
-rxn:5:190127:228681:226852,COc1ncc(-c2ccc(-c3ccnn3CC3CC3)cc2C(=O)N2CCC(OC)CC2)cc1C(F)(F)F,WOOLHAUCLGXORZ-UHFFFAOYSA-N
-rxn:5:190128:225451:227911,CCc1ccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(SC3CCCCC3)cc2)cc1C#N,RFGQSTHOHWPKNN-UHFFFAOYSA-N
-rxn:5:190128:227069:227052,COc1ccc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(SC(C)(C)C)cc2)c(C(C)C)c1,UMYRTSXPAXUODT-UHFFFAOYSA-N
-rxn:5:190128:227525:227591,CCc1cnc(C(F)F)cc1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1ccc(C(F)F)cc1OC,KEZBBZUSPNIJJI-UHFFFAOYSA-N
-rxn:5:190128:227672:226176,COC1CCN(C(=O)c2ccc(-c3cccc(C)c3C(F)(F)F)c(-c3ccncc3C3CCCCC3)c2)CC1,BADICMFFEWRFIJ-UHFFFAOYSA-N
-rxn:5:190131:228706:225441,COc1c(-c2ccnc(N(C)C)c2)cc(C(=O)N2CCCCC2)cc1-c1cc(C2CC2)cnc1C(C)(C)C,ZRKKINXEUWYOCC-UHFFFAOYSA-N
-rxn:5:190132:226875:225811,COC1CCN(C(=O)c2ccc(-c3cc(F)c(OC(F)F)cc3F)cc2-c2ccc(C3(C(F)(F)F)CC3)cc2)CC1,GMMHEUDOMXXNHR-UHFFFAOYSA-N
-rxn:5:190177:227552:222993,O=C1CC(Sc2ccc(-c3cccc(N4CCCCC4O)c3)cc2)C(=O)N1c1ccc(-c2ccccc2CC(F)(F)F)cc1,YUMAWGKWNSCOBC-UHFFFAOYSA-N
-rxn:5:190194:226149:227052,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC(C)(C)C)cc2)cc1C(C)(C)C,GUAARWBFFWDOTF-UHFFFAOYSA-N
-rxn:5:190195:223062:223113,CN(Cc1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,MPAKDSDWHJUCGW-UHFFFAOYSA-N
-rxn:5:190195:226571:223113,CN(Cc1ccc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,KWFVRFWTBSJCGX-UHFFFAOYSA-N
-rxn:5:190195:226645:223113,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,GRWGRLWYBPQEIZ-UHFFFAOYSA-N
-rxn:5:190195:226736:227777,CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2C#N)c(-c2cc(F)c(F)cc2[N+](=O)[O-])c1)C1CCOCC1,ZZHTXAWITIRNQL-UHFFFAOYSA-N
-rxn:5:190195:227491:223113,CN(Cc1ccc(-c2cnc(OC3CCC3)nc2)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,WSPPEFOZYUOSDC-UHFFFAOYSA-N
-rxn:5:190199:226326:227022,CN(Cc1cc(-c2ccc(CN3CCC3)cc2)ccc1-c1cccc(C2(C#N)CC2)c1F)C1CCOCC1,OHVHTVCGHPBNGH-UHFFFAOYSA-N
-rxn:5:190200:222991:227362,CCOc1cc(C)cc(F)c1-c1cc(CN(C)C2CCOCC2)cc(-c2ccc(N3CCCC(O)C3)cc2)c1,VIVNBWZAGSRVAH-UHFFFAOYSA-N
-rxn:5:190201:223062:223113,CC1CN(CCc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,PMLKXWUZYDDXLX-UHFFFAOYSA-N
-rxn:5:190231:223141:227968,COc1c(-c2cncc(C3CCNCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cnccc1C1CCC1,YAQYXWQTJVWVNO-UHFFFAOYSA-N
-rxn:5:190299:226759:227408,COc1cc(-c2ccc(OC)c(C=C3SC(=O)N(c4ccc(-c5cc(C6CCC6)ncc5F)cc4)C3=O)c2)cc(C(F)(F)F)c1,MEBVTWGLYPUHPK-UHFFFAOYSA-N
-rxn:5:190299:227610:227353,COc1cc(C)c(-c2ccc(N3C(=O)SC(=Cc4cc(-c5ccn(C6CCCCO6)n5)ccc4OC)C3=O)cc2)c(OC)c1,YCPYLOZBUBDWOX-UHFFFAOYSA-N
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-rxn:5:190336:227086:226141,COc1c(-c2ccnc(C3CCCC3)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccccc1OC1CCCC1,LBUBALSOKWCCHC-UHFFFAOYSA-N
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-rxn:5:190484:225438:227409,CC(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)cc1)N1CCCC1,JYPFOJUGWRKOOB-UHFFFAOYSA-N
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-rxn:5:190740:225592:223056,CCOC(=O)c1cnc2c(C)cc(-c3cc(F)ccc3CN3CCCC3)cc2c1-c1ccc(N2CCC(O)CC2)nc1,CVZJWNBVIPUTRM-UHFFFAOYSA-N
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-rxn:5:191049:229149:225982,CCOc1nc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cnc(N5CCOCC5)cc4F)cc2OC)C(=O)CO3)cs1,TYQIFNGULJHVFP-UHFFFAOYSA-N
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-rxn:5:193226:223061:226364,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(N3CCCCC3)nc2)c1)N1CCOCC1,FYRGPUDWJQFPJK-UHFFFAOYSA-N
-rxn:5:193226:225655:227316,CC(C)Cc1cc(-c2cc(C(=O)N3CCOCC3)ccc2-c2cncc(N3CCC(C)CC3)c2)cc(F)n1,ZQFOAKGYSFSEDR-UHFFFAOYSA-N
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-rxn:5:193333:223141:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCOCC2)ccc1-c1cncc(C2CCNCC2)c1,VQXFMSMZIBTNBA-UHFFFAOYSA-N
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-rxn:5:193382:222960:227656,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(N4CCOCC4)cs3)c2)cc(C2CCNCC2)c1,ARVLNWOVCJNILK-UHFFFAOYSA-N
-rxn:5:193382:222960:228210,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(N4CCCC4)s3)c2)cc(C2CCNCC2)c1,LDFMDFCDFUNZCH-UHFFFAOYSA-N
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-rxn:5:193382:223138:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCOCC2)c1,ACWWJKCEHJEQJU-UHFFFAOYSA-N
-rxn:5:193382:223141:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2cncc(C3CCNCC3)c2)ccc1S(=O)(=O)N1CCOCC1,JLGAJYAXJSTKRM-UHFFFAOYSA-N
-rxn:5:193382:223201:223054,CC(c1ccc(-c2cc(-c3ccccc3C3CCNC3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCC(O)C1,NNCYDRBSMZCWPA-UHFFFAOYSA-N
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-rxn:5:193464:225925:226907,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C2(C#N)CCCCC2)c(-c2cccc3c2CCC32CC2)c1,OJPPOTRHTQYCGF-UHFFFAOYSA-N
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-rxn:5:193506:225607:227992,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4COC4)cc3)c2)s1)N1CCCCC1,LJWISFBLCNXEKN-UHFFFAOYSA-N
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-rxn:5:193506:226794:227924,CCOc1ccc(-c2cc(-c3cnc(N4CCSCC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c(C)c1,GWFOCCLOWQPTQF-UHFFFAOYSA-N
-rxn:5:193506:228160:223138,CCOc1cccc(F)c1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccnc(C3CCNCC3)c2)c1,CZNNUUHJYDDRML-UHFFFAOYSA-N
-rxn:5:193506:228162:226794,CCOc1c(F)cccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnc(N3CCSCC3)nc2)c1,LOHYWCJILNRBEL-UHFFFAOYSA-N
-rxn:5:193506:228268:226211,CSc1c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc4c(c3)CCN4C(C)=O)c2)ccc(C)c1F,CMDVVDNWVYIGMD-UHFFFAOYSA-N
-rxn:5:193506:229084:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2scnc2C(C)C)ccc1S(=O)(=O)N1CCC(=O)CC1,AQZAXMGFXAWYAN-UHFFFAOYSA-N
-rxn:5:193539:226318:225940,CN(C)c1cc(-c2ccc(CN3CCCCC3)cc2-c2cc(C(F)(F)F)cnc2C2CC2)cc(C2CC2)n1,ZCEZZKCPROKWDB-UHFFFAOYSA-N
-rxn:5:193540:226686:227684,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)c(-c2cnn(CC3OCCO3)c2)c1,JDWMLDQVDXQPIC-UHFFFAOYSA-N
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-rxn:5:193681:222985:227710,Cc1nc(C2CCCNC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(OC2CCN(C)CC2)c1,RYOVMUXIOUWRRJ-UHFFFAOYSA-N
-rxn:5:193681:225684:227710,Cc1nc(C2CCOCC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(OC2CCN(C)CC2)c1,DECYXYGURATXLP-UHFFFAOYSA-N
-rxn:5:193710:225832:228318,COC(=O)c1ccncc1-c1ccc(C=C2SC(=S)N(c3cccc(-c4c(C)nn(C5CCCCO5)c4C)c3)C2=O)cc1,CCGIDVLGCQNJGK-UHFFFAOYSA-N
-rxn:5:193748:226130:227592,COc1cc(F)cc(-c2ccc(-c3ccc(CN4CCCC4)cc3)cc2C(=O)N2CCCC(C)C2)c1OC,IEUOFDMDLVSVJH-UHFFFAOYSA-N
-rxn:5:193749:225886:225394,CC1CCCCN1C(=O)c1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)ccc1-c1cc(C2CCC2)cc(C2CC2)c1,PTAMCZYOIGDYLW-UHFFFAOYSA-N
-rxn:5:193750:225654:225940,CC1CCN(C(=O)c2cc(-c3ccc(N4CCCC(C)C4)nc3)ccc2-c2cc(C(F)(F)F)cnc2C2CC2)CC1,PODMVAQRZCWGPS-UHFFFAOYSA-N
-rxn:5:193750:226856:227131,COc1cnc(C(F)(F)F)cc1-c1ccc(-c2cccc(C3CCOC3)c2)c(C(=O)N2CCC(C)CC2)c1,IUKNQROOKIGPNE-UHFFFAOYSA-N
-rxn:5:193754:226321:226189,CC1CCN(C(=O)c2cccc(-c3ccc(SC4CCCC4)nc3)c2-c2ccc(C3CCCC3)c(F)c2)CC1,FAPVSCRKIUVDGC-UHFFFAOYSA-N
-rxn:5:193754:227044:225870,CC1CCN(C(=O)c2cccc(-c3ccc(C(=O)C4CC4)cc3)c2-c2cc(F)cc(N3CCOCC3)c2)CC1,GRZDNGJSGZGZIP-UHFFFAOYSA-N
-rxn:5:193756:226686:228370,Cc1ccc(-c2cc(-c3c(C)cnn3C3CCCCO3)ccc2C(=O)N2CCCCC2C)c([N+](=O)[O-])c1,YYDNPYZIIBPAOL-UHFFFAOYSA-N
-rxn:5:193866:225886:226062,CC(C)c1cc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc(C(C)C)c1,WVRNNVGDIILQKT-UHFFFAOYSA-N
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-rxn:5:193867:228443:226739,CSc1c(F)ccc(-c2cc(-c3ccc(C(C)=O)c([N+](=O)[O-])c3)cc(C3(N4CCC(=O)CC4)CC3)c2)c1F,JOGRRWBMOPNSDX-UHFFFAOYSA-N
-rxn:5:193869:222420:223135,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCC2)cc1-c1cccnc1C1CCCNC1,UJMVEVVEURGZKQ-UHFFFAOYSA-N
-rxn:5:193869:227657:222420,Cc1cc(-c2ccc(N3CCOCC3)s2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1S(N)(=O)=O,DWRMKBFEYDAWML-UHFFFAOYSA-N
-rxn:5:193871:223135:225591,O=C(c1ccc(-c2cc(CN3CCCC3)ccc2F)c(-c2cccnc2C2CCCNC2)c1)N1CCC2(CC1)CC2,CWTFKGDTSHYFRM-UHFFFAOYSA-N
-rxn:5:193871:223135:227025,CCc1ncc(C2CC2)cc1-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1cccnc1C1CCCNC1,TUQVYPAKKOEULL-UHFFFAOYSA-N
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-rxn:5:193871:225886:226761,CSc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c(C(F)(F)F)c1,KTVGINVAPPYNRL-UHFFFAOYSA-N
-rxn:5:193871:226325:225886,CC(C)(C#N)c1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)c(F)c1,IVDDMLTUVMVQGL-UHFFFAOYSA-N
-rxn:5:193871:226332:225804,O=C(c1ccc(-c2ccc(C(=O)N3CCC3)c(F)c2)c(-c2ccccc2C(=O)N2CCC2)c1)N1CCC2(CC1)CC2,FGQORBSGEQONHH-UHFFFAOYSA-N
-rxn:5:193871:227025:226844,CCc1ncc(C2CC2)cc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1ccnc(C(=O)C(F)(F)F)c1,YLEPXVGZZZAOJF-UHFFFAOYSA-N
-rxn:5:193871:227205:225587,O=C(c1ccc(-c2cccc(CN3CCOCC3)c2)c(-c2cccc3c2OCCCO3)c1)N1CCC2(CC1)CC2,VSBJHDPLQGLSED-UHFFFAOYSA-N
-rxn:5:193871:227680:227187,CN1Cc2c(cccc2-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cccc3c2OC(F)(F)O3)C1=O,OVTCQRNYDAENCC-UHFFFAOYSA-N
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-rxn:5:193872:226144:227808,C[Si](C)(C)C#Cc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccc3c(c2)CCCC3)cc1,ZEIHOXAZXHGDSH-UHFFFAOYSA-N
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-rxn:5:193967:226849:227282,COc1nccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3cc(C#N)cnc3C(C)C)c2)c1C(F)(F)F,VJDBKDYVBKHEGX-UHFFFAOYSA-N
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-rxn:5:194399:225811:226045,O=C(c1ccc(-c2ccc(C3(C(F)(F)F)CC3)cc2)c(-c2ccc(C(F)(F)C(F)(F)F)nc2)c1)N1CC2CC2C1,JYTJZECQHDJLBX-UHFFFAOYSA-N
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-rxn:5:196794:223113:225803,CC1(C)C(=O)Nc2ccc(-c3ccc(-c4ccnc(OC5CCOCC5)c4)c(N4CCOCC4=O)c3)cc21,PBMPLEAGGKTZAG-UHFFFAOYSA-N
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-rxn:5:196971:226414:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3=NCCCO3)cc2)ncc1C1CCCCC1,WOLCPDDEGBSJSJ-UHFFFAOYSA-N
-rxn:5:196971:227684:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnn(CC3OCCO3)c2)ncc1C1CCCCC1,HIPUZRGTJYDINC-UHFFFAOYSA-N
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-rxn:5:197876:225499:226199,CC(C)n1ncc2cc(-c3cc4c(cc3-c3ccc(C5CCCCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,IWPQKELTJYXYKS-UHFFFAOYSA-N
-rxn:5:197876:225499:227071,COCc1cc(C)c(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,BOWRSUUZLSDTRD-UHFFFAOYSA-N
-rxn:5:197876:225591:223401,CNc1cc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C,RDLHGRHRGQRTFJ-UHFFFAOYSA-N
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-rxn:5:197876:225601:227019,CC(C)(C#N)c1cccc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UBDMKXCICJNIIQ-UHFFFAOYSA-N
-rxn:5:197876:225602:226444,Cc1nc(C2CCCO2)ccc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,MUKKQIHZLPTZFS-UHFFFAOYSA-N
-rxn:5:197876:225602:228575,Cc1cc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C#N,CHJRXWUFFMQNHN-UHFFFAOYSA-N
-rxn:5:197876:225603:228588,CC#Cc1cc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,WKWXCUALGFMMOK-UHFFFAOYSA-N
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-rxn:5:197876:225674:228648,Cc1cc(C)c(F)c(-c2cc3c(cc2-c2cnc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GWQFRWWWXLIJAW-UHFFFAOYSA-N
-rxn:5:197876:225679:227357,CCC(=O)c1cc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,FAFIWEBUCQHROH-UHFFFAOYSA-N
-rxn:5:197876:225806:227811,CC(C)Cc1ccc(-c2cc3c(cc2-c2cnc(OC4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,HUSRFGYPIXBVBM-UHFFFAOYSA-N
-rxn:5:197876:225808:228518,CC#Cc1ccc(-c2cc3c(cc2-c2cc(OC4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,MOBDESWGTRIOLG-UHFFFAOYSA-N
-rxn:5:197876:225815:227819,CCc1cc(CC)cc(-c2cc3c(cc2-c2ccc(C4CC4)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XLQFGZITIJHOJR-UHFFFAOYSA-N
-rxn:5:197876:225815:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1ccc(C3CC3)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,ZYGVEEXLZBRVSO-UHFFFAOYSA-N
-rxn:5:197876:225815:227940,CCc1cc(SC)cc(-c2cc3c(cc2-c2ccc(C4CC4)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HMIKNJDEEKJCNO-UHFFFAOYSA-N
-rxn:5:197876:225818:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C2CC2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,FOPHNYACPXIEGP-UHFFFAOYSA-N
-rxn:5:197876:225820:223421,CNC(C)c1ccc(-c2cc3c(cc2-c2c(C4CC4)cccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)s1,PYSCETJOENJJEP-UHFFFAOYSA-N
-rxn:5:197876:225820:229015,CC(C)c1sccc1-c1cc2c(cc1-c1c(C3CC3)cccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,MUWHFFWITXUZKR-UHFFFAOYSA-N
-rxn:5:197876:225821:228620,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CC4)c(C(F)(F)F)c2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,NKBNNFQRLTVKKN-UHFFFAOYSA-N
-rxn:5:197876:226031:227839,Cc1cccc(C2CC2)c1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,KJWDYSDPXPVXJU-UHFFFAOYSA-N
-rxn:5:197876:226031:228792,CSc1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,AOYJWWLOQPMSQH-UHFFFAOYSA-N
-rxn:5:197876:226032:228553,CCSc1ccc(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,CYNPAWOFMNUGCL-UHFFFAOYSA-N
-rxn:5:197876:226059:226973,CC(C)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,CMYVQYLVAXUOHZ-UHFFFAOYSA-N
-rxn:5:197876:226085:227515,CC(C)Oc1cnc(F)c(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NXQNBJRHRFMQOO-UHFFFAOYSA-N
-rxn:5:197876:226085:228383,Cc1cc(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C(F)F,PEUGXCKOEMRXCJ-UHFFFAOYSA-N
-rxn:5:197876:226155:225811,CC(=O)c1cc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,WZHIBTIQETUQSM-UHFFFAOYSA-N
-rxn:5:197876:226190:223287,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,XCKCBLCDAOEVPE-UHFFFAOYSA-N
-rxn:5:197876:226190:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,PCROCVPZHUKVHD-UHFFFAOYSA-N
-rxn:5:197876:226191:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1cc(C3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WRJFLVGRYMDUOM-UHFFFAOYSA-N
-rxn:5:197876:226320:227075,COc1cc(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,QOPVDJBQROVSPA-UHFFFAOYSA-N
-rxn:5:197876:226320:227946,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,XGUNGBZZIAOORE-UHFFFAOYSA-N
-rxn:5:197876:226325:226061,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,ADSIRBJSLLDWMG-UHFFFAOYSA-N
-rxn:5:197876:226325:227933,CCc1ccc(OC)cc1-c1cc2c(cc1-c1ccc(C(C)(C)C#N)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WXHSTULHTJVTQZ-UHFFFAOYSA-N
-rxn:5:197876:226432:226917,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,RORMDAHJRGKVAZ-UHFFFAOYSA-N
-rxn:5:197876:226432:228260,CC(F)(F)c1cccc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LMPAGGGNLFARLP-UHFFFAOYSA-N
-rxn:5:197876:226437:223355,CNC(=O)c1ccccc1-c1cc2c(cc1-c1cc(C3CCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VYCHXHTXYOINPI-UHFFFAOYSA-N
-rxn:5:197876:226437:227926,CC(C)Sc1ccc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,JMJIOTDYDKTBQG-UHFFFAOYSA-N
-rxn:5:197876:226469:222989,Cc1cc(N2CCNCC2)ccc1-c1cc2c(cc1-c1ccc3c(c1)N(C)C(=O)CO3)S(=O)(=O)N(C(C)(C)C)C2=O,QWYRNWXIFGENLA-UHFFFAOYSA-N
-rxn:5:197876:226581:226913,CCc1cc(-c2cc3c(cc2-c2cccc(C(=O)N(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,LBNHJCFCXXUNAI-UHFFFAOYSA-N
-rxn:5:197876:226581:227106,Cc1cc(F)c(-c2cc3c(cc2-c2cccc(C(=O)N(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C1CC1,BKUKSWHIWDZCAE-UHFFFAOYSA-N
-rxn:5:197876:226582:226062,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C(=O)N(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,JCNMNAGICBARGT-UHFFFAOYSA-N
-rxn:5:197876:226582:227953,Cc1cc(N(C)C)ccc1-c1cc2c(cc1-c1ccc(C(=O)N(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SGGWLJYBZNVIHT-UHFFFAOYSA-N
-rxn:5:197876:226587:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2cnc(OC4CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HSBMFXJIBFDAEG-UHFFFAOYSA-N
-rxn:5:197876:226589:226916,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cccc(C3=CCCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,SYRUFSBBDLUSQH-UHFFFAOYSA-N
-rxn:5:197876:226589:227829,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccccc1C1CCC1)C(=O)N(C(C)(C)C)S2(=O)=O,WHJYKXGCDQOJOK-UHFFFAOYSA-N
-rxn:5:197876:226589:228012,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cccc(F)c1C1CC1)C(=O)N(C(C)(C)C)S2(=O)=O,JCSZFCLSQNMPQE-UHFFFAOYSA-N
-rxn:5:197876:226594:226923,Cc1cc(C2CC2)c(C)cc1-c1cc2c(cc1-c1c(F)cc(OC(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VNAPVJDFOMUVJT-UHFFFAOYSA-N
-rxn:5:197876:226598:227940,CCc1cc(SC)cc(-c2cc3c(cc2-c2cc(OC(C)C)c(F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SFADTQOOAASQGP-UHFFFAOYSA-N
-rxn:5:197876:226610:228629,CCc1cc(-c2cc3c(cc2-c2ccc(C4CCC4)s2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,RBDDSFSOJQPFEH-UHFFFAOYSA-N
-rxn:5:197876:226679:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2cnc(N4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,OWNAQQAQQIFFDL-UHFFFAOYSA-N
-rxn:5:197876:226709:225512,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1cccc3cc([Si](C)(C)C)sc13)C(=O)N(C(C)(C)C)S2(=O)=O,YFFVERUOQNYIFL-UHFFFAOYSA-N
-rxn:5:197876:226742:227826,CC(C)(C)c1cccc(-c2cc3c(cc2-c2ccc(C#N)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LDYBTERKOCRXNK-UHFFFAOYSA-N
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-rxn:5:197876:227782:223191,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,WUZRJPCWQXPKAE-UHFFFAOYSA-N
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-rxn:5:197876:227978:225470,CC1CCN(c2ccc(-c3cc4c(cc3-c3cc(C(C)C)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,GGDRRSGXHWLIFD-UHFFFAOYSA-N
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-rxn:4:173590:223075,CCCCOc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)cc(C(C)(C)C)cc1C(C)(C)C,NBELUXQKUXCPDJ-UHFFFAOYSA-N
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-rxn:4:174689:224654,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(OC(F)(F)F)ccc2C(=O)C(F)(F)F)ccc1F,IRYUFXPDFZRVCR-UHFFFAOYSA-N
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-rxn:4:175029:223559,CCCOc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C(F)F)c1,SEJNEVAIGOFCHK-UHFFFAOYSA-N
-rxn:4:175086:223922,Cc1ccc(-c2ccc(Cl)c(C(=O)N(C)C3CCCCC3)c2)cc1OCC(F)(F)C(F)F,ZMKYPFLIRDXFFP-UHFFFAOYSA-N
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-rxn:4:175661:224689,CC(C)(C)OC(=O)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)N3CCCCC3)cc2Cl)c1F,IPQKJYCRABHAMU-UHFFFAOYSA-N
-rxn:4:175786:223507,COC(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1S(=O)(=O)c1ccccc1Cl,UQNAUJVPTJDNOK-UHFFFAOYSA-N
-rxn:4:175822:224161,C#Cc1cc(F)c(OCC2CCOCC2)c(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1,VIMVFVCFTNFYRT-UHFFFAOYSA-N
-rxn:4:175853:223562,CCc1cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(-c2cccc(OC(F)(F)F)c2)c1,MVJDREWHMFWQRL-UHFFFAOYSA-N
-rxn:4:175879:223525,CCCc1ccc(C(=O)c2ccc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)cc1,XMCJYFCVEIWVCI-UHFFFAOYSA-N
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-rxn:4:176156:224834,Cc1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cn(S(=O)(=O)N(C)C)nc1C(F)(F)F,XTEZQORRSAGTNQ-UHFFFAOYSA-N
-rxn:4:176164:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cc(C(=O)OC(C)(C)C)cc(-c2cccc(C)c2F)c1,QFDQPRPOVMAANR-UHFFFAOYSA-N
-rxn:4:176504:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(F)c(CC(=O)C(F)(F)F)c3)c2)C1,TVUIYYSVSDYIMR-UHFFFAOYSA-N
-rxn:4:176517:222725,CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(F)c2C(=O)C(F)(F)F)c(C(F)(F)F)c1,BNADPWWGEQFVGR-UHFFFAOYSA-N
-rxn:4:176517:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(F)c2C(=O)C(F)(F)F)c(F)c1,SYLJSQRTAYPVSV-UHFFFAOYSA-N
-rxn:4:176518:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2c(C(F)(F)F)ccc(F)c2C(=O)C(F)(F)F)cc1,HHWCRTMUYMLAHZ-UHFFFAOYSA-N
-rxn:4:176542:223497,COC(=O)C(C)c1occc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,WQYYUALWZQOSST-UHFFFAOYSA-N
-rxn:4:176598:223504,CCOC(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cc1F,NWSJCOQGAAQRCM-UHFFFAOYSA-N
-rxn:4:176693:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3C(C)=O)cc2)CC1,VUHYNHIIMCAMCH-UHFFFAOYSA-N
-rxn:4:176826:223559,COC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1SC,KQFGKJSPZOVGDB-UHFFFAOYSA-N
-rxn:4:177049:223527,COC(OC)c1cc(F)c(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,KHYFUTPNAIGMNA-UHFFFAOYSA-N
-rxn:4:177358:222447,COc1ccc2c(c1-c1cc(OC(C)C)ccc1C(F)F)N=C(NC(=O)OC(C)(C)C)C2,HALCFRPXHURKFN-UHFFFAOYSA-N
-rxn:4:177489:223712,COC(=O)C1OC1(C)c1ccc(F)c(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1,AHLYEKVKZOINBG-UHFFFAOYSA-N
-rxn:4:177657:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(OCc4cccc(F)c4F)cc3Cl)c(F)c2)CC1,DVOYKEBUXTZZHM-UHFFFAOYSA-N
-rxn:4:178178:223481,CC(C)Oc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)cc1C1OCCO1,VNIMAUQUTQEYFS-UHFFFAOYSA-N
-rxn:4:178325:222612,CC(C)(C)[Si](C)(C)Oc1cc(F)c(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc1F,DFPRVVQGEOVJNV-UHFFFAOYSA-N
-rxn:4:178328:222723,O=S(=O)(CC1CCCCC1)c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1,JBGZNQWPZAOXBU-UHFFFAOYSA-N
-rxn:4:178330:224485,COC(=O)C1(c2ccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cc2)CC2(C1)OCCO2,DKMQISCGGOFSSY-UHFFFAOYSA-N
-rxn:4:178369:223567,CC(C)Oc1ccc2c(c1)cc(-c1c(C(C)C)cc(C(C)C)cc1C(C)C)n2C(=O)OC(C)(C)C,WFFJWNPZULQCOC-UHFFFAOYSA-N
-rxn:4:178384:225061,CC1CCN(c2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(F)c2)CC1,OPRUWEVCRDFVHJ-UHFFFAOYSA-N
-rxn:4:178384:227006,CC(C)COc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,KKPRCCVKGGPYLT-UHFFFAOYSA-N
-rxn:4:178384:228627,CCc1ccc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,RYVQLQWFGQMGTR-UHFFFAOYSA-N
-rxn:4:178384:229277,Cn1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,XVQKHNYXLKTZBJ-UHFFFAOYSA-N
-rxn:4:178491:223576,CC(C)OC(=O)c1cc2cc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2oc1=O,YNXAXROBQRIQCY-UHFFFAOYSA-N
-rxn:4:178588:224589,CC1CCN(Cc2cc(F)ccc2-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)CC1,XQURRHSJGVGPOO-UHFFFAOYSA-N
-rxn:4:178594:224846,CCC1CCC(c2ccc(-c3cc(Cl)c(OCC45CC6CC(CC(C6)C4)C5)cc3F)cc2)CC1,AYDWABKRDSQUJU-UHFFFAOYSA-N
-rxn:4:178594:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)c(OCC45CC6CC(CC(C6)C4)C5)cc3F)cc2)CC1,AYDWABKRDSQUJU-WFVNICLRSA-N
-rxn:4:178597:223325,Cc1n[nH]c2cccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)c12,SEZYIGPIBMARIH-UHFFFAOYSA-N
-rxn:4:178632:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(Cl)c3OC(F)F)cc2)CC1,BMOMJANIYKVLRE-UHFFFAOYSA-N
-rxn:4:178766:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)C(F)(F)F)c3)cc2)CC1,OIVSGSXITJNPJP-UHFFFAOYSA-N
-rxn:4:179096:223499,CSc1cc(-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(F)F)c1Cl,UBOVRTRXBODALQ-UHFFFAOYSA-N
-rxn:4:179379:223492,COc1cc(C(C)=O)cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1,PEEKIQZVGLPZIY-UHFFFAOYSA-N
-rxn:4:179896:222584,Fc1cc(-c2ccc(C3OCCO3)c(C(F)(F)F)c2)ccc1OCCCN1CCNCC1,GRCALAKMMVKFPD-UHFFFAOYSA-N
-rxn:4:180024:223748,COc1c(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)ccc(F)c1C1OCCO1,CJIDWDCPMCEGAT-UHFFFAOYSA-N
-rxn:4:180439:223834,Cc1cc(-c2cc(C3CC3)cc(C3COCCO3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,BQFKANQGMNWFJO-UHFFFAOYSA-N
-rxn:4:180439:223992,Cc1ccc(-c2cc(C3CC3)cc(C3COCCO3)c2)cc1S(=O)(=O)N1CCN(C)CC1,MAKVCZXOABQIRH-UHFFFAOYSA-N
-rxn:4:180439:223993,Cc1cc(-c2cc(C3CC3)cc(C3COCCO3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,KIQMOASCHDLSQG-UHFFFAOYSA-N
-rxn:4:180439:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C2CC2)cc(C2COCCO2)c1,CGXWFLAZBFWNNH-UHFFFAOYSA-N
-rxn:4:180485:223834,Cc1cc(-c2cc(C3CCOCC3)cc(C3CC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,XQWSYVMABLDUHN-UHFFFAOYSA-N
-rxn:4:180485:223992,Cc1ccc(-c2cc(C3CCOCC3)cc(C3CC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,JIPHFNQENFCLNL-UHFFFAOYSA-N
-rxn:4:180485:223993,Cc1cc(-c2cc(C3CCOCC3)cc(C3CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,HJVBHQAWWBPUTF-UHFFFAOYSA-N
-rxn:4:180485:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C2CCOCC2)cc(C2CC2)c1,CBDMMCRKWMZSND-UHFFFAOYSA-N
-rxn:4:180489:223834,Cc1cc(-c2cc(C3CC3)cc(C3CCCOC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,QRGFXPDMIYOKIE-UHFFFAOYSA-N
-rxn:4:180489:223992,Cc1ccc(-c2cc(C3CC3)cc(C3CCCOC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,GFOSZKMYQJJBPZ-UHFFFAOYSA-N
-rxn:4:180489:223993,Cc1cc(-c2cc(C3CC3)cc(C3CCCOC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,ZNMZDWHQDNZRHV-UHFFFAOYSA-N
-rxn:4:180489:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C2CC2)cc(C2CCCOC2)c1,XRAXDNKEVDTKTM-UHFFFAOYSA-N
-rxn:4:180492:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCCOC4)ccc3C3CC3)cc2)CC1,KWLGFAUAGZNNTH-UHFFFAOYSA-N
-rxn:4:180493:223834,Cc1cc(-c2ccc(C3CCCCO3)c(C3CC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,AGLFVTHNXBCZNC-UHFFFAOYSA-N
-rxn:4:180494:223834,Cc1cc(-c2cc(C3CCCCO3)ccc2C2CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,LDOLNVDEQACISW-UHFFFAOYSA-N
-rxn:4:180494:223992,Cc1ccc(-c2cc(C3CCCCO3)ccc2C2CC2)cc1S(=O)(=O)N1CCN(C)CC1,FBJYQJWOLHGLML-UHFFFAOYSA-N
-rxn:4:180494:223993,Cc1cc(-c2cc(C3CCCCO3)ccc2C2CC2)ccc1S(=O)(=O)N1CCN(C)CC1,RVRLQWJOOWNTOM-UHFFFAOYSA-N
-rxn:4:180494:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(C2CCCCO2)ccc1C1CC1,NXGOCOOMQOCWDM-UHFFFAOYSA-N
-rxn:4:180498:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCCOC4)cc3C3CC3)cc2)CC1,VCJZTVLVSOFZBO-UHFFFAOYSA-N
-rxn:4:180500:223834,Cc1cc(-c2ccc(C3CCCCO3)cc2C2CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,JQLHONLYAHWYCX-UHFFFAOYSA-N
-rxn:4:180500:223992,Cc1ccc(-c2ccc(C3CCCCO3)cc2C2CC2)cc1S(=O)(=O)N1CCN(C)CC1,PSYSEMRSLFLJEI-UHFFFAOYSA-N
-rxn:4:180500:223993,Cc1cc(-c2ccc(C3CCCCO3)cc2C2CC2)ccc1S(=O)(=O)N1CCN(C)CC1,RAPQQBZAVITMOA-UHFFFAOYSA-N
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-rxn:4:180501:223834,Cc1cc(-c2ccc(C3CC3)cc2C2CCCCO2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,BISYXXBMVYUYOM-UHFFFAOYSA-N
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-rxn:4:180501:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2CC2)cc1C1CCCCO1,OJJUDEPTOAWODG-UHFFFAOYSA-N
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-rxn:4:180503:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)ccc3C3CCCOC3)cc2)CC1,PXDGQNHOPWFGOV-UHFFFAOYSA-N
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-rxn:4:183274:228799,COc1c(Cl)cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,NJAGFMRKWBNXPP-UHFFFAOYSA-N
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-rxn:4:183765:222820,COC(=O)CSC1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)NC(C)(C)C)c(F)c2)C1,XDGSAXXDVBQFOZ-UHFFFAOYSA-N
-rxn:4:183802:226472,CN(C)CCOc1cc(-c2ccc(C(F)(F)F)cc2CN(C)C(=O)OC(C)(C)C)ccn1,FAHWUYUVUZENGR-UHFFFAOYSA-N
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-rxn:4:183900:222901,CCCS(=O)(=O)NCc1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C(C)C)cc1,JXIYIOUJGDOYRD-UHFFFAOYSA-N
-rxn:4:183905:226828,CCCCN(C(=O)c1ccc(-c2cc(C(F)(F)F)c(C)cc2Cl)cc1)C1CCS(=O)(=O)C1,IHKGXBVFUOPWFV-UHFFFAOYSA-N
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-rxn:4:183970:225747,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(C)n3C(=O)OC(C)(C)C)ccc2OC)CC1,QMEHPLLDSOOIHP-UHFFFAOYSA-N
-rxn:4:183983:222974,Cc1ccc(-c2ccc(C(=O)NC(C)(C)C)cc2)cc1CN(C(=O)OC(C)(C)C)C(C)C,SWEQWQUYDBTTGF-UHFFFAOYSA-N
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-rxn:4:183987:223920,COc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2Cl)cc1C=NOC(=O)c1ccc(C(C)(C)C)cc1,MTBCHLZAASRTJA-UHFFFAOYSA-N
-rxn:4:183998:224470,COCCOc1ccc2cc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCCC4)c(F)c3)ccc2c1,QXPQMLJJZZMONC-UHFFFAOYSA-N
-rxn:4:184001:227052,COC(=O)C1(c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,OOUIZGJEFLSLEE-UHFFFAOYSA-N
-rxn:4:184064:227474,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)c(-c2ccc(CC[N+](=O)[O-])cc2)c1,SBFZOMDHBPETQF-UHFFFAOYSA-N
-rxn:4:184067:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(F)(F)CC4)cc3)cc2)CC1,CJQZOPCUVCAUCP-UHFFFAOYSA-N
-rxn:4:184072:226024,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(-c3cccc(OCC(F)(F)F)c3F)cc2)C1,AOSLTQMOOJRKTH-UHFFFAOYSA-N
-rxn:4:184093:222648,Cc1cc(C)c(-c2ccc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CCS(=O)(=O)C3)cc2)cc1NC(=O)OC(C)(C)C,NAUCNLKRXLYOQL-UHFFFAOYSA-N
-rxn:4:184095:224225,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(OCc3cccc(Cl)c3)cc2F)cc1,FMSFYUUHFUSJLO-RUZDIDTESA-N
-rxn:4:184103:222429,CCCCOC(=O)CN1C(=O)C(=O)c2cc(-c3ccc(CNC(=O)c4ccc(F)cc4C(F)(F)F)cc3)ccc21,WTGZTQUTXUKMRZ-UHFFFAOYSA-N
-rxn:4:184110:222972,CC(C)(C)C(=O)Nc1ccccc1-c1ccc2c(c1)C(=O)N(CC(=O)OCC(=O)c1ccc(Cl)cc1)C2=O,PCTALDLQYOZBDH-UHFFFAOYSA-N
-rxn:4:184118:224312,CN1CCN(C(=O)c2cc(-c3cc(OCCCCN4C(=O)c5ccccc5C4=O)ccc3Cl)ccc2F)CC1,JJPPVKPDFNIEGZ-UHFFFAOYSA-N
-rxn:4:184167:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc4cc(CN(C(=O)OC(C)(C)C)C5CC5)ccc4c3)cc2)CC1,FSDBHGMWHYRQMN-ALOJWSFFSA-N
-rxn:4:184234:222866,CC(C)OCCCN1C(=O)c2oc3ccc(-c4cccc(NC(=O)OC(C)(C)C)c4)cc3c(=O)c2C1c1ccccc1,AWJZUZRZOHOYSV-UHFFFAOYSA-N
-rxn:4:184278:225122,CC(C)(C)[Si](C)(C)Oc1cncc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c(C#N)c2)c1,VPPCASREURLIDN-UHFFFAOYSA-N
-rxn:4:184412:223539,CCOC(=O)c1c(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc(C#N)cc1C(F)F,CFMXCVSMUGIUDY-UHFFFAOYSA-N
-rxn:4:184417:223498,CCOC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c(C#N)c(C(F)F)c1,NRQNHHNXPBWHKE-UHFFFAOYSA-N
-rxn:4:184452:223532,COC(=O)Cc1c(C(F)(F)F)ccc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C#N,KMLMKAGHGZBRDO-UHFFFAOYSA-N
-rxn:4:184738:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C(=O)N4CCC4)c(OCC(F)(F)F)c3)cn2)CC1,JVLPWUZHXGAMMJ-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:4:184890:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccc(C(F)(F)F)c(CN3CC(C(=O)OC)C3)c2)c1,MCNIKETXKACSSV-UHFFFAOYSA-N
-rxn:4:184914:222588,COC(=O)C1CN(Cc2cc(-c3ccc(OCCN4CCC(O)CC4)c(F)c3)ccc2OC)C1,DKDMAPCEYGXJKJ-UHFFFAOYSA-N
-rxn:4:185002:225723,CN(C)CCOc1ccc(-c2cccc(OCC(=O)N3CCCC(C(F)(F)F)C3)c2)cc1Cl,SJIMOKPUIAEHLJ-UHFFFAOYSA-N
-rxn:4:185012:222694,O=C(c1cccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)c1)N1CC(S(=O)(=O)Cc2ccco2)C1,RDBKMTYEOLDNNW-UHFFFAOYSA-N
-rxn:4:185044:223896,COc1cccc(-c2cc(Cl)cc(OC3CN(C(=O)OC(C)(C)C)C3)c2)c1C(=O)N(C(C)C)C(C)C,HXOQXJBROMJFHZ-UHFFFAOYSA-N
-rxn:4:185095:222725,CCNS(=O)(=O)c1ccc(-c2c(OC)cccc2C(=O)N(C(C)C)C(C)C)c(C(F)(F)F)c1,XRJDJGBBXUCLLY-UHFFFAOYSA-N
-rxn:4:185110:223743,COC1CCN(Cc2ccc(-c3ccc(C)c(OCCCN4CCC(C)CC4)c3)cc2OC(F)(F)F)CC1,RPWJBTISRFBQLY-UHFFFAOYSA-N
-rxn:4:185114:224880,O=C(CS(=O)(=O)c1ccc(-c2ccccc2CN2CCCCCC2)cc1)N1CCC(C(F)(F)F)CC1,XTUYKEOEAJUONW-UHFFFAOYSA-N
-rxn:4:185137:225867,FC(F)(F)C1CCCN(CCCc2ccccc2-c2cnc(Cl)c(N3CCCCC3)c2)C1,KWFFKSASPRUIDN-UHFFFAOYSA-N
-rxn:4:185154:222638,COC(=O)c1ccc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cc1CN1CCCC(C(F)(F)F)C1,AIOJRFUDEXXXQJ-UHFFFAOYSA-N
-rxn:4:185180:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)c3ccccc3F)C3CCS(=O)(=O)C3)o2)cc1F,GTPOCLMLKPPSKG-UHFFFAOYSA-N
-rxn:4:185200:225349,CCCOc1c(F)c(F)c(-c2ccc(C(=O)OC)cc2CN2CCC(OC)CC2)c(F)c1F,YOYMZBPKFAFJFD-UHFFFAOYSA-N
-rxn:4:185201:225198,COc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1c(F)cccc1OC1CCCCO1,MDMBSOVWPJZIPU-UHFFFAOYSA-N
-rxn:4:185205:224973,COc1ccc(C2CN(C(=O)OC(C)(C)C)C2)c(-c2cccc(CN3CCN(C)CC3)c2)c1,GLTWXLVCEIIFCO-UHFFFAOYSA-N
-rxn:4:185206:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(OC)cc(C4CN(C(=O)OC(C)(C)C)C4)c3)ccc2OC)CC1,GLECBRQGOSNWGY-UHFFFAOYSA-N
-rxn:4:185242:222707,CCC(CC)C(=O)N1CCCC1c1ccc(-c2ccnc(CNC(=O)OC(C)(C)C)c2F)cc1,TXVORALNOLPEPC-UHFFFAOYSA-N
-rxn:4:185243:227767,CCn1cc(-c2ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)cc2)c(C(F)(F)F)n1,JHBBUPCMGYAOAP-UHFFFAOYSA-N
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-rxn:4:185248:224255,COc1cc(-c2cc(F)cc(C(=O)N3CCCC(C)C3)c2)cc(OC)c1CN1CCCC(C(F)(F)F)C1,PPZXNFOFQRIUCJ-UHFFFAOYSA-N
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-rxn:4:185294:223608,O=C(c1ccccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1)N(Cc1cccc(F)c1)C1CCS(=O)(=O)C1,SGPOHGRMOBFBOK-UHFFFAOYSA-N
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-rxn:4:185303:225115,CCOc1ccc(-c2cc(Cl)c(OCC)c(OC(C)C)c2)cc1S(=O)(=O)N(C)C1CCCCC1,DTXPYSXUNCASAB-UHFFFAOYSA-N
-rxn:4:185304:223181,CCNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N(CC)C3CCCCC3)cc2OC)c1,DIRWGJNTRHNEFB-UHFFFAOYSA-N
-rxn:4:185308:226727,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(SCC(F)(F)F)c3)cc2)CC1,NDGVBDQVAFKARJ-UHFFFAOYSA-N
-rxn:4:185335:223926,COc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc2)c1,VGMKRQODYOCMGW-UHFFFAOYSA-N
-rxn:4:185339:224606,CCCOc1cc(-c2ccc(C(=O)OCc3ccccc3)c(N3CCC(F)(F)CC3)c2)cc(Cl)c1OC(C)C,WFAQVZJJUFAKOI-UHFFFAOYSA-N
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-rxn:4:185358:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2F)cc1,GWGNJGWBUKQZPH-UHFFFAOYSA-N
-rxn:4:185371:224612,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cc2)CC1,ICZDDXRAGCWOLT-UHFFFAOYSA-N
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-rxn:4:187265:225563,COC1CCN(C(=O)c2c(-c3cc(F)ccc3COC(C)(C)C)cccc2C(F)(F)F)CC1,KCYLDWBATRGQCX-UHFFFAOYSA-N
-rxn:4:187266:222948,COc1c(Cl)cc(C(=O)N2CCCC(C(F)(F)F)C2)cc1-c1cnc(N2CCC(O)CC2)nc1Cl,LHLKNSXQWOHULW-UHFFFAOYSA-N
-rxn:4:187279:223893,CCN1CCN(CCOc2cccc(-c3ccccc3CN(C)CC3CCOCC3)c2)CC1,SZENYROOZAHDGW-UHFFFAOYSA-N
-rxn:4:187290:222621,CC(C)Cc1cc(-c2ccccc2OCCN2CCC(C)CC2)cc(C2CCCNC2)n1,POTLINKMKZHZBV-UHFFFAOYSA-N
-rxn:4:187299:223885,Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1-c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2,CMUSSQGAUKCQSF-UHFFFAOYSA-N
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-rxn:4:187348:222603,COc1cc(-c2ccccc2Oc2ccc(C(=O)N3CCC(F)(F)C3)cc2)c(Cl)cc1NC(=O)OC(C)(C)C,BFSBVWXWAIGGOP-UHFFFAOYSA-N
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-rxn:4:187410:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1cccc(OCC(=O)N2C(C)CCCC2C)c1,FJKIIVYPZMKMJN-UHFFFAOYSA-N
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-rxn:4:187436:224484,Cc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)c(C2CN(C(=O)OC(C)(C)C)C2)c1,XACZKDCLUCUHOW-UHFFFAOYSA-N
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-rxn:4:187468:222619,O=C(NCc1ccc(-c2ccc(C(=O)N3CCC(S(=O)(=O)c4ccc(F)cc4)CC3)o2)cc1)C1CCCCC1,TVEFADQMVWZPAS-UHFFFAOYSA-N
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-rxn:4:187541:223753,Cc1ccc(-c2ccc(OC3CCN(C)CC3)cc2OC(C)C)cc1OCCCN1CCN(C)CC1,KDTVBBCLNWBSRH-UHFFFAOYSA-N
-rxn:4:187606:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2ccc(C(=O)c3ccc(CN4CCCCC4)cc3)c(F)c2)cc1F,PPMSPSJUFVIOFY-UHFFFAOYSA-N
-rxn:4:187630:226844,O=C(CCc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(=C2CCC2)CC1,JVVSHXXODLIKAX-UHFFFAOYSA-N
-rxn:4:187656:226892,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2cc(F)cc(C(F)(F)F)c2Cl)cc1C,QQVJPTJXOVXNSL-UHFFFAOYSA-N
-rxn:4:187658:226051,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2c(OC(F)(F)F)ccc(F)c2F)c(C)cc1C,YIOWPKICGCKBIM-UHFFFAOYSA-N
-rxn:4:187664:222522,COc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1S(=O)(=O)N1CCC(O)CC1,CADYBOMEBJDVRY-UHFFFAOYSA-N
-rxn:4:187667:222910,CCCNS(=O)(=O)c1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2C)c(C)c1,VRHYOQCRTWAIKX-UHFFFAOYSA-N
-rxn:4:187672:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(C)(C)C)c2)c1,DBKKDMCCQSTKGE-UHFFFAOYSA-N
-rxn:4:187677:223538,CC(C)(C)OC(=O)N1CCC2(CC1)CC2c1ccc(-c2ccnc3c2cc(C(F)F)n3S(=O)(=O)c2ccccc2)cc1,NHMQPNXNZMFLHL-UHFFFAOYSA-N
-rxn:4:187677:226056,CC(C)(C)OC(=O)N1CCC2(CC1)CC2c1ccc(-c2c3c(cc4c2CCC4)CCC3)cc1,VMFUKHPKEKZNKS-UHFFFAOYSA-N
-rxn:4:187678:224590,COc1ccc(C2CCCCN(C(=O)c3ccc(-c4ccc(CN5CCC(C)CC5)cc4F)cc3)C2)cc1,APEKMFRXUZTEDK-UHFFFAOYSA-N
-rxn:4:187692:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)cc3F)c(F)c2)CC1,HUSFJDDGSMNSFE-UHFFFAOYSA-N
-rxn:4:187693:224669,CN1CCN(Cc2ccc(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)c(F)c3)c(F)c2)CC1,FODPPSPLWPSFEL-UHFFFAOYSA-N
-rxn:4:187953:223536,Cc1ccc(C(=O)C(=Cc2cccc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)c2nc3ccccc3o2)cc1,YIYNTQKWFSPCND-UHFFFAOYSA-N
-rxn:4:187968:223888,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)ccc21,RWDFTWWGHUEAFQ-UHFFFAOYSA-N
-rxn:4:187971:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc2ccn([Si](C(C)C)(C(C)C)C(C)C)c2c1,YEEJCJKAEVCXHB-UHFFFAOYSA-N
-rxn:4:187972:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccccc2CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1,CDIHIAQZQAOEIN-UHFFFAOYSA-N
-rxn:4:187973:222845,CC(c1ccc(-c2ccccc2C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)cc1)N1CCNCC1,JUNQJTNEIWRGOD-UHFFFAOYSA-N
-rxn:4:187973:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccccc1C(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,GXIPKOYOLMNHKG-UHFFFAOYSA-N
-rxn:4:188005:226511,COc1ccc(CN2C(=O)C3C(c4ccc(-c5cc(Cl)cnc5OCC5CC5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,CEKGEUSLMNYTRO-UHFFFAOYSA-N
-rxn:4:188013:227468,CCN(CC)c1ncc(-c2ccc(C(=O)Oc3ccc(N4C(=O)C5C6CCC(C6)C5C4=O)cc3)cc2)cn1,LZMKWRBKTFMOAY-UHFFFAOYSA-N
-rxn:4:188735:223520,COc1cc(OC)c([N+](=O)[O-])c(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,VZLPUBGVNBSMKB-UHFFFAOYSA-N
-rxn:4:189286:223559,COc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1C(=O)N(C)C,KKQYFBDEQUAMHQ-UHFFFAOYSA-N
-rxn:4:189316:223559,COc1cccc(C(=O)N(C)C)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,WOGZRGQATWKAOO-UHFFFAOYSA-N
-rxn:4:189381:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N(C)C)cnc21,XGFWAEYVYHCLRW-UHFFFAOYSA-N
-rxn:4:189731:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(=O)N4CCCC4)cc(C(F)(F)F)c3)cc2Cl)CC1,QWCGGBAQCVYQIX-UHFFFAOYSA-N
-rxn:4:189734:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2cccc(C(F)(F)F)c2C(=O)N2CCCC2)ccn1,HOKFNMMHNMAESL-UHFFFAOYSA-N
-rxn:4:189793:223926,O=C(Cc1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1)N1CCOCC1,DUESQOREZYSDQA-UHFFFAOYSA-N
-rxn:4:189811:223533,COc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1C1(C#N)CCCC1,KZIXFOXMXGVGKV-UHFFFAOYSA-N
-rxn:4:190002:224246,CC1CCN(C(=O)c2ccc(-c3ccc(F)cc3CC(=O)N3CCCCC3)cc2F)CC1,CQHXHOXVSXWROU-UHFFFAOYSA-N
-rxn:4:190010:224770,C#CC1CCN(S(=O)(=O)c2cccc(-c3cc(C)cc(S(=O)(=O)N4CCCC4)c3)c2)CC1,DKIIETLGAFHCBL-UHFFFAOYSA-N
-rxn:4:190053:225061,CC1CCN(c2ccc(-c3cccc(C(F)(F)F)c3C(=O)N3CCCCC3)c(F)c2)CC1,DSSBCSPENUIQDK-UHFFFAOYSA-N
-rxn:4:190111:224835,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)cc1,BCCCKLSCVKJFSC-UHFFFAOYSA-N
-rxn:4:190153:225208,COc1c(Cl)cc(C(=O)N2CCC(F)CC2)cc1-c1cnc(N2CCCC(C)C2)nc1C,WVHWYTILNJXPPH-UHFFFAOYSA-N
-rxn:4:190163:224188,CC(C)N(C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC(C(F)(F)F)C3)cc2)c(Cl)c1)C(C)C,JVIVPPZNQPZCDN-UHFFFAOYSA-N
-rxn:4:190168:224187,COC(=O)c1cc(F)c(N2CCC(F)(F)CC2)cc1-c1ccc(OCCN2CCCCC2)cc1F,ATWCOFJASITSTB-UHFFFAOYSA-N
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-rxn:4:190213:222723,COc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,MXYLIIJTXVBHTL-UHFFFAOYSA-N
-rxn:4:190228:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CCCN2S(=O)(=O)C2CC2)cc1,XERYTJDRDGPVRA-UHFFFAOYSA-N
-rxn:4:190272:223775,COc1ccc2c(c1)c(-c1cc(F)ccc1CC(=O)N1CCCC(C)C1)cn2C(=O)OC(C)(C)C,DGTAWJBVUOQYIB-UHFFFAOYSA-N
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-rxn:4:190305:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(C(C)CN2CCCCC2)c1,JSWFVGSMLYNWNT-UHFFFAOYSA-N
-rxn:4:190306:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2CCCN2CC(C)C)cc1,LEEYVSMIKGMYJQ-UHFFFAOYSA-N
-rxn:4:190330:224834,CC(C)S(=O)(=O)N1CCCC1c1ccc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)cc1,OSQLLQZMNAARIW-UHFFFAOYSA-N
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-rxn:4:202766:223687,CN(C)CCCN1c2ccccc2Sc2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc21,OMHAMTBWHLFAHP-UHFFFAOYSA-N
-rxn:4:202811:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cccnc3OC3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)cc2F)CC1,KUIAWJBLIHROJF-UHFFFAOYSA-N
-rxn:4:202820:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(C=Nc4cc5c6c(c4)C(c4ccccc4)CCN6CCC5c4ccccc4)cc3)cc2)CC1,QZWNFJFGTWUWDJ-UHFFFAOYSA-N
-rxn:4:203694:225336,N#Cc1ccc(-c2ccc(COCC(F)(F)F)cc2F)cc1N1CCC(C(F)(F)F)CC1,ATQZKYVWISTDRA-UHFFFAOYSA-N
-rxn:4:203709:223048,O=C(NC1CC1)c1cccc(-c2ccc(C(=O)N3CCC(N4C(=O)COC4=O)C3)o2)c1F,CBIXWNRGVMZNEZ-UHFFFAOYSA-N
-rxn:4:203758:226124,COCc1ccc(C2CC2)cc1-c1cc(F)c([N+](=O)[O-])c(N2CCC(C(F)(F)F)CC2)c1,WEPXEQBQUFSLMA-UHFFFAOYSA-N
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-rxn:4:204070:223491,Cc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,RKFCAJFHRFDKSL-UHFFFAOYSA-N
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-rxn:4:204681:224936,CC(C)(C)OC(=O)Cc1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1,YTAKYEJVHRVHNL-UHFFFAOYSA-N
-rxn:4:204764:229077,CSc1ccc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)cc2)cn1,LMTNKSLPFHTNFJ-UHFFFAOYSA-N
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-rxn:4:204780:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CC(N3CC4CCCC4C3)C2)cc1,MJCAJYGZCDQZPB-UHFFFAOYSA-N
-rxn:4:204780:223181,CCNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,ZOEQJKIQYPWSFO-UHFFFAOYSA-N
-rxn:4:204780:226844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)ccn1)C(F)(F)F,OSEXDTSBSRHVSH-UHFFFAOYSA-N
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-rxn:4:204831:222805,O=C(C1=CN(c2ccc(-c3cc(F)c(F)c(N4CCC(O)CC4)c3)cc2)c2ccccc2S1(=O)=O)N1CCCCC1,DCSOCKUEENRZJG-UHFFFAOYSA-N
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-rxn:4:204915:224421,CCC1Oc2c(OC)cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc2C2CC(c3ccc(Cl)cc3)=NN12,SZOFUIGJLMPDPT-UHFFFAOYSA-N
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-rxn:4:206358:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cn(C3CCCCO3)nc2C(F)F)c(C(F)(F)F)c1,AMYUMGCOUYUDTC-UHFFFAOYSA-N
-rxn:4:206434:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(Cl)cc3C(=O)N3CCOCC3)c2)CC1,BUVVJQQVKKFZQE-UHFFFAOYSA-N
-rxn:4:206436:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(C(=O)N3CCOCC3)cnc2Cl)CC1,PAFLNLFUIVPQIH-UHFFFAOYSA-N
-rxn:4:206444:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(C(=O)N3CCOCC3)c(Cl)c2)CC1,VZNXJFDEKXDKFQ-UHFFFAOYSA-N
-rxn:4:206464:223482,O=[N+]([O-])c1cc(F)c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1N1CCC(F)(F)C1,NOKPATVJMOFQAS-UHFFFAOYSA-N
-rxn:4:206638:222614,N#Cc1cc(N2CCCC(F)(F)C2)ccc1-c1ccc(S(=O)(=O)NC2CC2)cc1C(F)(F)F,KENZSGBAJBXGLJ-UHFFFAOYSA-N
-rxn:4:206639:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3ccc(N4CCC(F)(F)CC4)cc3C#N)c(F)c2s1,QWZVSIALXAASIM-UHFFFAOYSA-N
-rxn:4:206716:223884,Cc1nc(C(=O)N2CCOCC2)ccc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2,ATIDRBQPPPVTFR-UHFFFAOYSA-N
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-rxn:4:206758:224725,CCN(CC)S(=O)(=O)c1cc(-c2cc(Cl)cnc2N2CCC(C(F)(F)F)CC2)ccc1C,BYWQERWHXVZKGE-UHFFFAOYSA-N
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-rxn:4:206776:223608,Cn1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1C(=O)N1CCCCC1,VZHYIYBQOFCHRQ-UHFFFAOYSA-N
-rxn:4:206967:224498,CCN1CCN(Cc2ccccc2-c2cc(F)c([N+](=O)[O-])c(N3CCC(C)CC3)c2)CC1,FYIPMYMRKKUVPA-UHFFFAOYSA-N
-rxn:4:206977:222788,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3F)cc2F)CC1,SLXPNHNYLXQLBI-UHFFFAOYSA-N
-rxn:4:207025:224820,Cc1cc(F)c(C(=O)N2CCN(C)CC2)c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1,TZVKSXAFWAEAIS-UHFFFAOYSA-N
-rxn:4:207061:222826,CN1CCCN(S(=O)(=O)c2cccc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)c2)CC1,AVHRUYUCDAHIOU-UHFFFAOYSA-N
-rxn:4:207069:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2CC2)cc1N1CCN(C)CC1,MUYAFZMCCVGNCC-UHFFFAOYSA-N
-rxn:4:207085:225805,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(C)N2CCOCC2)s1,DHZXDHLMFFWJKZ-UHFFFAOYSA-N
-rxn:4:207086:222856,COc1ccc(C2CCNCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,FAGRJFBAVIOWCK-UHFFFAOYSA-N
-rxn:4:207390:222466,CCn1ncc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1C12COCC1O2,FPQJPXCZAQWQSX-UHFFFAOYSA-N
-rxn:4:207623:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(OC2CN3CCC2CC3)nc1,QQBMYRWCCGUMFT-UHFFFAOYSA-N
-rxn:4:207635:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)cn2)CC1,UKMTYODHRDJZRV-UHFFFAOYSA-N
-rxn:4:207736:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(OC2CC3CCC(C2)N3C)nc1,PMPRBMSECROGNE-UHFFFAOYSA-N
-rxn:4:207736:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(OC2CC3CCC(C2)N3C)nc1,FUUFELYRIBBJLU-UHFFFAOYSA-N
-rxn:4:207736:224396,Cc1cc(-c2ccc(OC3CC4CCC(C3)N4C)nc2)ccc1S(=O)(=O)N1CCOCC1,GHSDXQSUQKNLHN-UHFFFAOYSA-N
-rxn:4:207794:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(CN2CCN(C)CC2)cc2c1OCC2,IAQOZJLYASLFNJ-UHFFFAOYSA-N
-rxn:4:207829:224649,O=C1N(c2ccc(F)cc2)C2CS(=O)(=O)CC2N1c1ccc(-c2cc(F)ccc2OCC2CCCCO2)cc1,MDJDGMLPEDUFSI-UHFFFAOYSA-N
-rxn:4:207890:224125,Cc1c(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cnn1CC12CC3CC(CC(C3)C1)C2,ZQVSWVBQWYICEL-UHFFFAOYSA-N
-rxn:4:207946:225260,CCN(CC)S(=O)(=O)c1ccc(-c2cc(OC)c3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)cc1,JXROHQBBIMJHBE-UHFFFAOYSA-N
-rxn:4:207959:226444,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCO5)nc4C)ccc2OC3C2CCCCC2)cc1,SBAOFKXHMDFJJL-UHFFFAOYSA-N
-rxn:4:209338:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnn(C3CCS(=O)(=O)C3)c2)c(F)c(C(F)(F)F)c1,HTHYNLLWHGQKON-UHFFFAOYSA-N
-rxn:4:209866:223687,CC1CCCCN1c1ncccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,WXQJUNBOXIGDPO-UHFFFAOYSA-N
-rxn:4:210095:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(F)c2ccnc(C#N)c2c1,SSRYYQMBSSPKEE-UHFFFAOYSA-N
-rxn:4:210408:223527,COC1COc2c(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cnn2C1,RYCSQNZTTJXSOM-UHFFFAOYSA-N
-rxn:4:210680:223492,Cc1cc(-c2ccc(C3COC3)c3nccnc23)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LJEHBJSBCGOBFU-UHFFFAOYSA-N
-rxn:4:211056:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)C(N1CCN(C)CC1)CC2,CWDCUCRBDSCIPH-UHFFFAOYSA-N
-rxn:4:211061:222576,Cc1c(Cl)cccc1NC(=O)c1cccc(-c2ccc3c(c2)C(=C2SC(=S)N(C4CCS(=O)(=O)C4)C2=O)C(=O)N3C)c1,XWIIAQPRLPHTEY-UHFFFAOYSA-N
-rxn:4:212537:222913,Cc1nc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)cn1CCN(C)C(=O)OC(C)(C)C,SYJPBYUBZONJCG-UHFFFAOYSA-N
-rxn:4:212549:226355,CCOC(=O)N1CCN(C(C#N)c2cccc(-c3cc(C4CC4)c(OC)cc3Cl)c2)CC1,GRQZPLYQGWSTNB-UHFFFAOYSA-N
-rxn:4:212563:223754,CC1CCN(CCCOc2ccc(-c3ccccc3C(=O)N3CCN=C3SCc3cccc([N+](=O)[O-])c3)cc2Cl)CC1,WVSXODXCBCDWMW-UHFFFAOYSA-N
-rxn:4:212579:222699,O=S(=O)(CCc1ccccc1)N1CC(Cn2cc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)cn2)C1,IURQRSJDLZZBJW-UHFFFAOYSA-N
-rxn:4:212585:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C(C)C)cc1,HQGICNNIAFZOJY-UHFFFAOYSA-N
-rxn:4:212593:225518,CCCCCOc1ncc(C)cc1-c1ccc(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)cn1,BVUOOUSJMUTOBO-UHFFFAOYSA-N
-rxn:4:212607:224672,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCN(CC)CC4)cc3Cl)cn2)CC1,SDOYLFQMZYAZLY-UHFFFAOYSA-N
-rxn:4:212619:224182,Cc1cc(-c2cnc(OCC3CCCN(C(=O)OC(C)(C)C)C3)nc2)ccc1OCCN1CCOCC1,WSLNGVIXVZFOGH-UHFFFAOYSA-N
-rxn:4:212628:226127,CCOc1ccc(C(C)C)cc1-c1cnc(OC2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)nc1,KFPYDXZLQFONMJ-UHFFFAOYSA-N
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-rxn:4:213264:223867,CC1CCN(CCCOc2cccc(-c3ccc(CC(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)c2)CC1,AAFUQVUEEYLHIS-UHFFFAOYSA-N
-rxn:4:213268:225834,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cc(N5CCCCC5)ncc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,BLSFUMDWGSZMGD-DFBJGRDBSA-N
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-rxn:4:213476:222540,N#CC1(C#N)[C@H](c2cccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c2)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2c3ccccc3C=C[C@@H]21,LUXMLWVESOTQEW-VRGQJHENSA-N
-rxn:4:213480:222684,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,VHWYGHPBAMOXAA-RDPIHECBSA-N
-rxn:4:213480:223076,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(S(=O)(=O)NC5CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZZANKKSVLRYUDF-NESADOAFSA-N
-rxn:4:213480:224324,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(C(=O)N5CCC(=O)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JHAMDZWLJPHFGL-KIESAQMKSA-N
-rxn:4:213480:224588,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(CN5CCC(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,MKUXIENIORPUOX-VYIMVGKPSA-N
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-rxn:4:213664:222584,CCC(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,ZHSSDOASKLAWSA-UHFFFAOYSA-N
-rxn:4:213692:226844,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cn1,VENSXQKHDDNXET-UHFFFAOYSA-N
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-rxn:4:213756:224848,CC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)s3)cc2)CC1,QRHPWEUQDPDIAY-MXVIHJGJSA-N
-rxn:4:213757:224705,CC1CCN(c2ccc(-c3cccc(CC4CCN(S(=O)(=O)N(C)C)C4)n3)c(F)c2F)CC1,BTOMJKOUKOSVAN-UHFFFAOYSA-N
-rxn:4:213789:224966,O=C(c1ccccc1-c1ccc(OCC2CCOCC2)cc1)N1CCCC(c2nnc(C(F)(F)F)o2)C1,PTGMHMQGMMUSOE-UHFFFAOYSA-N
-rxn:4:213796:222398,Cc1cc(-c2cnn(CC3CN(CC4CCOCC4)C3)c2)ccc1NC(=O)NC1CC1,OCSJMVVIYPQLPV-UHFFFAOYSA-N
-rxn:4:213799:223945,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCCN4CCOCC4)c(F)c3)ncn2)C1,XCJMPQZHAIBASD-UHFFFAOYSA-N
-rxn:4:213805:223787,CN1CCN(CCCOc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)cc2F)CC1,WEFUROKPCSLVQD-UHFFFAOYSA-N
-rxn:4:213863:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)c2)C1,MBVLUCJCWZMBSN-UHFFFAOYSA-N
-rxn:4:213887:223945,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)nc2)CC1,RVMBNPXUNAGBIO-UHFFFAOYSA-N
-rxn:4:213901:226474,CN(C)CCOc1cncc(-c2ccc(Cl)nc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,PKNRVIFNQNVXFD-UHFFFAOYSA-N
-rxn:4:213909:224395,Cc1oncc1CN1CCN(C(=O)c2cccc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)c2)CC1,YRWWFIWJJXARPT-UHFFFAOYSA-N
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-rxn:4:213937:222819,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(NC(=O)N4CCOCC4)nc3)CC2=O)ccn1,YIBXHAACWONZSH-UHFFFAOYSA-N
-rxn:4:213971:222873,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccc(NC(=O)n3cccc3)cc2)CCO1)N1CCOCC1,WZYBYQKAXDZXSO-UHFFFAOYSA-N
-rxn:4:213971:228099,CCN(C)c1cncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,XTWDDYHOELRYNI-UHFFFAOYSA-N
-rxn:4:213972:228694,CCN(C)c1csc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,HWSXAGKTNCVORY-UHFFFAOYSA-N
-rxn:4:213982:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)ncn2)c1,GADDAZRJOCZSQG-UHFFFAOYSA-N
-rxn:4:213996:222813,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cnc(NC(=O)OC(C)(C)C)c(Cl)c1,VOELLXABIKUCOG-UHFFFAOYSA-N
-rxn:4:214000:225898,CC1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cnn(CCN3CCOCC3)c2)cc1F,IAMQBMWHYZJQOO-UHFFFAOYSA-N
-rxn:4:214003:227437,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3ccnc(C4CCCO4)c3)CC2)CC1=O,DCTZMGQGZRVMIQ-UHFFFAOYSA-N
-rxn:4:214033:226446,Cc1nc(C2CCOC2)ccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,GLUGCGZSBOALKR-XTEKXTAFSA-N
-rxn:4:214057:224730,CCN1CCN(Cc2ccc(-c3cc(C(F)(F)F)ccc3OCC(C)C)cc2N2CCCC2)CC1,PJIQYIDZYLHJCE-UHFFFAOYSA-N
-rxn:4:214059:226563,COC(=O)Cc1ccc(-c2ccc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)nc2)cc1F,AHLKDALEJHGSOB-UHFFFAOYSA-N
-rxn:4:214180:223867,CC1CCN(CCCOc2cccc(-c3ccc4cc(C5CN(C(=O)OC(C)(C)C)C5)nn4c3)c2)CC1,COFZVXLGMCDXBG-UHFFFAOYSA-N
-rxn:4:214255:224648,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2Cl)c2c(Cl)ncnc21,LBWKHMRREAFOGS-UHFFFAOYSA-N
-rxn:4:214258:223728,CCCCCC1CCC(c2ccc(-c3cnc(OC4CCN(Cc5ccc6c(c5)CCO6)CC4)nc3)c(F)c2)CC1,SKCJDRIZUUJEDC-UHFFFAOYSA-N
-rxn:4:214302:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc(C3=NN(S(C)(=O)=O)C(c4cc5ccc(OC)cc5nc4Cl)C3)cc2)cc1C,MVUHCLXMMYUBOR-UHFFFAOYSA-N
-rxn:4:214337:225544,COc1ccc(-c2cccc(CN3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)c2)cc1OCC(C)C,KTOHABHPCKWMML-UHFFFAOYSA-N
-rxn:4:214384:228633,Cc1cc(-c2cnc(OC3CCCN(C(=O)C45CC6CC(CC(C6)C4)C5)C3)nc2)cc(C)c1Cl,QBRNHCOOQTWLNT-UHFFFAOYSA-N
-rxn:4:214390:222948,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCC(O)CC5)nc4Cl)ccc2OC32CCN(C(C)=O)CC2)cc1,IYYJDMTYPPKOSB-UHFFFAOYSA-N
-rxn:4:214435:223559,CCOC(=O)c1nc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)n(C)n1,ZHIINBCHNIFNIT-UHFFFAOYSA-N
-rxn:4:214628:223482,O=C(c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)o1)N1CCN(c2nccs2)C(=O)C1,FLUYYZLFMXKERJ-UHFFFAOYSA-N
-rxn:4:214663:222584,Cn1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1C(=O)N1CCCC(C(F)(F)F)C1,XTXDYWJDWAPPDZ-UHFFFAOYSA-N
-rxn:4:214673:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(C#N)N2CCN(C)CC2)cc1,DPCZOAHWNRZDQJ-UHFFFAOYSA-N
-rxn:4:214682:224718,CCN1CCN(C(=O)c2ccc(F)c(-c3ccc(OCCN4CCOCC4)nc3)n2)CC1,ZFWDVMQIRVIJRZ-UHFFFAOYSA-N
-rxn:4:214698:223602,CCCc1nc(N2CCN(C)CC2)sc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl,DLAXBSTZDDAQBF-UHFFFAOYSA-N
-rxn:4:214706:223993,Cc1cc(-c2cnc(CC3CCCN(S(C)(=O)=O)C3)cn2)ccc1S(=O)(=O)N1CCN(C)CC1,NYJYFAXXSALETL-UHFFFAOYSA-N
-rxn:4:214722:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cccc(C(=O)N3CCN(c4nccs4)CC3)c2)c1,ANTAYSHTRUEQOS-UHFFFAOYSA-N
-rxn:4:214753:222709,CC(C)N1CCN(C(=O)c2ncc(-c3cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c3)cc2Cl)CC1,IHTOLXFNNAMJKP-UHFFFAOYSA-N
-rxn:4:214761:223602,Cc1cnccc1OC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2F)C1,LNSJHCDLFRFLNY-UHFFFAOYSA-N
-rxn:4:214793:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(N2CCN(Cc3ccccc3)CC2)cn1,WVHHLRKKRUFXNK-UHFFFAOYSA-N
-rxn:4:214802:224756,O=C(c1ccc(F)cc1-c1cccnc1N1CCOC(C(=O)N2CCCC2)C1)N1CCOCC1,DKIXBPMAXHCBQP-UHFFFAOYSA-N
-rxn:4:214819:226249,CCCCOc1cc(Cl)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1,OUHRZPHVVOXLJY-UHFFFAOYSA-N
-rxn:4:214835:225518,CCCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCOCC2)C1,OHJUCFRUWTZJHI-UHFFFAOYSA-N
-rxn:4:214837:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)ccc1Cl,XHDMTBGZGJDMIJ-UHFFFAOYSA-N
-rxn:4:214839:222423,COc1c(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VVFSMEUOIFMSAS-UHFFFAOYSA-N
-rxn:4:214865:224489,CC(C)N(Cc1ccc(F)cc1-c1cccnc1N1CCCC(C(=O)N2CCOCC2)C1)C(C)C,OKUSZWCOQOXDDX-UHFFFAOYSA-N
-rxn:4:214868:226231,CCCCOc1ncc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1C,IMSVOMXUVDUDNL-UHFFFAOYSA-N
-rxn:4:214870:222546,O=C(C1CCCN(c2ncc(Cl)cc2-c2ccc(OCCNC3CCCCC3)c(F)c2)C1)N1CCOCC1,GNNIBMJMBDYISD-UHFFFAOYSA-N
-rxn:4:214870:227249,CCCOc1ccc(Cl)c(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,DWYJBIJQANEURJ-UHFFFAOYSA-N
-rxn:4:214880:227472,CCCOc1ncc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,YTAKMIXZNAZVBK-UHFFFAOYSA-N
-rxn:4:214885:226138,Cc1cc(C#N)cc(C2CC2)c1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(Cl)c1,AXQIHBPJFAHTRL-UHFFFAOYSA-N
-rxn:4:214888:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2CCC3(CC2)OC(=O)N(c2ccccc2)C3=O)c1,BHHKPXWOIOQMFE-UHFFFAOYSA-N
-rxn:4:214891:224484,CC(C)N(C(=O)c1ccccc1-c1cccc(-c2nc(C3CC(=O)N(C4CCCCC4)C3)no2)c1)C(C)C,GBOMEFCYFRVCDA-UHFFFAOYSA-N
-rxn:4:215068:222521,CC(C)(C)OC(=O)Nc1cc(-c2cc3n(n2)CCCN3C(=O)OC(C)(C)C)cc(C(F)(F)F)c1,VOSLBIDUSWEDAY-UHFFFAOYSA-N
-rxn:4:215110:224967,COC(=O)c1cc(-c2nc(C)n3c2CN(C(=O)OC(C)(C)C)CC3)cc(C(C)(C)C)c1,ZKPWFPGQYAHDKK-UHFFFAOYSA-N
-rxn:4:215148:224956,CC(C)(C)OC(=O)N1Cc2cnc(-c3cccc(O[Si](C)(C)C(C)(C)C)c3)n2CC1(C)C,OISYDUDXMDTVKE-UHFFFAOYSA-N
-rxn:4:215170:225561,CC(C)(C)OC(=O)c1ccccc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,XTVOTFPGNDHBKW-UHFFFAOYSA-N
-rxn:4:215239:222594,Cc1ccc(NS(=O)(=O)c2cccc(-c3ccc(N4OC5C(=O)N(C6CCCCC6)C(=O)C5C4c4cccnc4)cc3)c2)cc1,JBYKAYDSKAYIDK-UHFFFAOYSA-N
-rxn:4:215285:226996,COc1ccc(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccc(-c3ccc(SCC4CC4)cc3)cc2)cc1,QXRPYWHOONKVCY-UHFFFAOYSA-N
-rxn:4:215295:225156,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3cc(C(=O)N4CCCC4)ccc3F)cnc12,KZACNWMLWKHFES-UHFFFAOYSA-N
-rxn:4:215300:225655,CC1CCN(c2cncc(-c3ccc4c(c3)C3CC(c5ccco5)=NN3C3(CCN(Cc5ccccc5)CC3)O4)c2)CC1,YZSGRVWCSBSSFP-UHFFFAOYSA-N
-rxn:4:215707:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(C#N)c(N3CCOCC3)c2)CC1,BGFDQZQFFPNIGG-UHFFFAOYSA-N
-rxn:4:215766:222598,Cc1cc(-c2c(C(=O)N3CCOCC3)cnn2C)cc(C)c1S(=O)(=O)NC1CCCC1,UQANSCXSBSIMNM-UHFFFAOYSA-N
-rxn:4:215829:223482,Cn1ncc(C(=O)N2CCCC(F)(F)C2)c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,FKCXQRKMLNTXRJ-UHFFFAOYSA-N
-rxn:4:215849:223635,Cn1cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(CN2CCC(F)(F)CC2)n1,LRBHIDQFRPBXLA-UHFFFAOYSA-N
-rxn:4:215867:224399,CN1CCN(C(=O)c2ncc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)cc2Cl)CC1,IZNLXYKJFGRGOJ-UHFFFAOYSA-N
-rxn:4:215887:222537,CC1CCN(c2c(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cncc2[N+](=O)[O-])CC1,NGUJYIUKMXNFLW-UHFFFAOYSA-N
-rxn:4:215955:223840,COc1ccc(-c2cnccc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,NLUIIBGONVLMJT-UHFFFAOYSA-N
-rxn:4:215955:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2)CC1,GNTSHFUWFGWYMY-UHFFFAOYSA-N
-rxn:4:216219:223594,CN1C2CCC1CC(Oc1ncc(-c3cc(Cl)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn1)C2,LJJNAOJFICSXMX-UHFFFAOYSA-N
-rxn:4:216244:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(N3C(=O)CC(n4cnc5ccccc54)C3=O)cc2)CC1,FNYZXAWPWILMOX-UHFFFAOYSA-N
-rxn:4:216262:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(-n4nc(C)c5c4CC(C)(C)CC5=O)ccc3C#N)cc2)CC1,NRZBMQUJTZBUGH-UHFFFAOYSA-N
-rxn:4:216319:226716,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccn(C(=O)OC(C)(C)C)n4)ccc3S2(=O)=O)n1,UYKSTNUNMZZDGZ-UHFFFAOYSA-N
-rxn:4:216356:224957,COc1ccc(C2=NN3C(C2)c2cc(-c4ccccc4O[Si](C)(C)C(C)(C)C)ccc2OC32CCN(C)CC2)cc1,ZBXZHYYGOCTCQV-UHFFFAOYSA-N
-rxn:4:217207:223787,Cc1cc(N2CCCCC2C)nc(-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)n1,JABNLJJRCJYVOS-UHFFFAOYSA-N
-rxn:4:217857:223834,Cc1cc(-c2cnn(C)c2C23CCN(C)CC2O3)cc(C)c1S(=O)(=O)N1CCN(C)CC1,CAYCSOFVMYOUJE-UHFFFAOYSA-N
-rxn:4:217857:223993,Cc1cc(-c2cnn(C)c2C23CCN(C)CC2O3)ccc1S(=O)(=O)N1CCN(C)CC1,HLGQFOJBLVADSZ-UHFFFAOYSA-N
-rxn:4:217889:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)cc2F)CC1,PBOQJMJXRFFJSI-UHFFFAOYSA-N
-rxn:4:217889:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)c1,MXFKTSZBBVJVGK-UHFFFAOYSA-N
-rxn:4:218540:223490,Cc1ccc(-c2cnc3c(c2)OCCn2ccnc2-3)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YTGJOIMEVQWKDO-UHFFFAOYSA-N
-rxn:4:218555:224395,O=C(CSc1ccncc1)N1CCC(Oc2ncc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)cn2)C1,PWWREIBWUCTISR-UHFFFAOYSA-N
-rxn:4:218582:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCCN(C(=O)Cc3cccnc3)C2)nc1,OVBLNKXLCCHKDF-UHFFFAOYSA-N
-rxn:4:218587:224867,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(OCC5CCCCC5)cc4)cn3)CC2)cc1,XWNHORCGYZQBEZ-UHFFFAOYSA-N
-rxn:4:218587:224868,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cccc(OCC5CCCCC5)c4)cn3)CC2)cc1,ZGCLMXRGJYTHLV-UHFFFAOYSA-N
-rxn:4:218600:225977,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3cc(Cl)cnc3N3CCOCC3)cn2)CC1,KACCWGOVNPUXHH-UHFFFAOYSA-N
-rxn:4:218621:222706,O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Oc2ncc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)cn2)C1,SABSMDGJRKCMSU-UHFFFAOYSA-N
-rxn:4:218630:224767,COc1nccnc1N(C)CC1CCN(C(=O)c2ccc(-c3cccc(C(=O)N4CCOCC4)c3F)o2)CC1,PHAKTPVRRVGDNZ-UHFFFAOYSA-N
-rxn:4:218648:223500,COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4-c4ccc(F)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)no3)n2)cc1OC,LNRGNPDDEGYXKV-UHFFFAOYSA-N
-rxn:4:218654:222524,O=C(CCc1ccccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1)N1CCC(n2cc(-c3ccccc3)nn2)C1,HETMTMIZBQANON-UHFFFAOYSA-N
-rxn:4:218655:223712,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cn2)CC1,RRFPTTUGJGORHH-UHFFFAOYSA-N
-rxn:4:218666:222948,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cnc(N5CCC(O)CC5)nc4Cl)c3)C2)nn1,SEJZDLKLGWVRKV-UHFFFAOYSA-N
-rxn:4:218699:226546,COC(=O)c1cccc(-c2cccc(-c3ccc(C#N)c(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)c2)c1OC,DFPRBQARGKXTLA-UHFFFAOYSA-N
-rxn:4:218702:222573,CC(Oc1ccccc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cc(F)cc(C(=O)NCC5CCCCC5)c4)cc3)n[nH]2)CC1,KXKCAWIUPNOBRY-UHFFFAOYSA-N
-rxn:4:218703:223659,COc1ccc(-c2cc(N3CCCN(C(=O)Cc4ccccc4-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)CC3)[nH]n2)cc1,FDUJCVGEJXWSSU-UHFFFAOYSA-N
-rxn:4:218711:226801,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-n4cccn4)cc3F)CC2)CC1,JSUWKCOSLZKGDL-UHFFFAOYSA-N
-rxn:4:218724:222799,CCOC(=O)Cn1c(=O)c2c(nc(-c3ccc(S(=O)(=O)NC(C)(C)C)c(C)c3)n2Cc2ccc(Cl)cc2)n(C)c1=O,BSKRMRFGTVNLSE-UHFFFAOYSA-N
-rxn:4:218766:225288,CC(C)Oc1ccc(-c2cnc(OCC3CCN(C(=O)Cc4cn(C)c5ccccc45)CC3)nc2)c(C(F)(F)F)c1,IGVUWIGLOUDSDU-UHFFFAOYSA-N
-rxn:4:218824:222999,CN(CC1CN(c2ncc(-c3cc(Cl)cc(C4CCCNC4)c3)cn2)C1)S(=O)(=O)C1CC1,SFHOWYPDMXBEAB-UHFFFAOYSA-N
-rxn:4:218832:223743,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4cscn4)C3)nc2)cc1OCCCN1CCC(C)CC1,LLTYDONGHOTHIH-UHFFFAOYSA-N
-rxn:4:218851:223926,CN(c1cnc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cn1)C1CN(C(=O)OC(C)(C)C)C1,RHZKANHRPOTRED-UHFFFAOYSA-N
-rxn:4:218867:223133,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccccc3N3CCNCC3)c2)no1,NOSNZYJUUVQTGO-UHFFFAOYSA-N
-rxn:4:218867:226176,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccncc3C3CCCCC3)c2)no1,NRDXSSXAKWAJHN-UHFFFAOYSA-N
-rxn:4:218868:225600,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccnc3OC3CCCCC3)cc2)no1,NGAPLCXBDLEHGV-UHFFFAOYSA-N
-rxn:4:218868:227403,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCCC4)s3)cc2)no1,JUZYVEYUFAYQQU-UHFFFAOYSA-N
-rxn:4:218881:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc(OCC3CCCN(C(=O)c4ccncc4)C3)nc2)CC1,AZVJYGCESUYUQR-UHFFFAOYSA-N
-rxn:4:218886:224818,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)C1,AHZVHKRHKQLKBW-UHFFFAOYSA-N
-rxn:4:218892:223945,Cc1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c3)C2)nn1,AUZGPPXPRXEMKH-UHFFFAOYSA-N
-rxn:4:218919:224252,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)C2)cn1,UEXFNBISUREJHX-UHFFFAOYSA-N
-rxn:4:218920:224252,COc1cnc(OC2CCN(C(=O)c3cncc(-c4ccc(C(=O)N5CCCC(C)C5)c(F)c4)c3)CC2)nc1,VWHAIVDDKRUFSJ-UHFFFAOYSA-N
-rxn:4:218944:226448,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(C4CCCC4)c3)cc2[N+](=O)[O-])CC1,LQWRSARQMHPENB-UHFFFAOYSA-N
-rxn:4:218964:226490,COCCOc1ccc(F)c(-c2cnn(CC3CN(C(=O)C4CCN(C(C)=O)CC4)C3)c2)c1,LXGBMWPBFPTIPN-UHFFFAOYSA-N
-rxn:4:218972:223534,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)cn3)C2)s1,RXOPHNCIWUHNFC-UHFFFAOYSA-N
-rxn:4:218972:223904,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cccc(C5CN(C(=O)OC(C)(C)C)C5)c4)cn3)C2)s1,ZNXSNNCZKYWDPU-UHFFFAOYSA-N
-rxn:4:218995:224751,Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)o3)CC2)n1,XSCKRRJFVUQBAU-UHFFFAOYSA-N
-rxn:4:219013:227310,CCC(C)c1ncc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1Cl,BDBLMAOZKMGHII-UHFFFAOYSA-N
-rxn:4:219026:225325,CCOC(=O)c1cc(-c2cnn(C)c2C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc([N+](=O)[O-])c1,CYPRUSWSFZCLFG-UHFFFAOYSA-N
-rxn:4:219043:222588,CC1CN(Cc2nn(C)cc2-c2ccc(OCCN3CCC(O)CC3)c(F)c2)CCN1C(=O)OC(C)(C)C,LAJPVSOBIFCNCH-UHFFFAOYSA-N
-rxn:4:219043:225885,CCCn1nnc2cc(-c3cn(C)nc3CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(F)cc21,RTIXBSUIFAVVMG-UHFFFAOYSA-N
-rxn:4:219046:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)c(F)c2)CC1,YASTWUZAGNJHJE-UHFFFAOYSA-N
-rxn:4:219046:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(C5CCN(C6CC6)C5=O)C4)nc3)cc2F)CC1,YYIQEVAAZAGWDM-UHFFFAOYSA-N
-rxn:4:219047:225126,COc1ccc(-c2cc(F)ccc2OCC2CCCO2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,UUKQLVKLKBTEDU-UHFFFAOYSA-N
-rxn:4:219129:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)cc2Cl)CC1,GEWABMLJJCXKOX-UHFFFAOYSA-N
-rxn:4:219187:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3ccc(-c4csc(N5CCN(CCN6C(=O)c7ccccc7C6=O)CC5)n4)cc3)c2C1,NMIJJUHYINZBHV-UHFFFAOYSA-N
-rxn:4:219252:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)N4CC(Cn5ccnn5)C4)c3)ccc2OC)CC1,MVKKXOMVDINEMK-UHFFFAOYSA-N
-rxn:4:219268:223784,CCN1CCN(CCOc2ccc(-c3ccc(OC)cc3C(=O)N3CC(n4nccn4)C3)cc2F)CC1,RXQJRIDHJLANAW-UHFFFAOYSA-N
-rxn:4:219268:223785,CCN1CCN(CCOc2ccc(-c3ccc(OC)cc3C(=O)N3CC(n4nccn4)C3)cc2Cl)CC1,KZDSQOKUHBTBOO-UHFFFAOYSA-N
-rxn:4:219353:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OC2CCN(S(=O)(=O)N(C)C)CC2)nc1,PJKBLKCAJZBMHI-UHFFFAOYSA-N
-rxn:4:219354:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(N(C)S(=O)(=O)C5CC5)C4)nc3)c(F)c2)CC1,NPZBDWRFXDWTNH-RFJGZHNSSA-N
-rxn:4:219407:225325,CCOC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc([N+](=O)[O-])c1,NYSZZDFJKAJYGB-UHFFFAOYSA-N
-rxn:4:219409:223522,Cc1c(C(=O)N2CCOCC2)nnn1Cc1ccc(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)cc1,KJLQFLIOEVPPFS-UHFFFAOYSA-N
-rxn:4:219430:223493,Cc1ccc(OC2CCN(C(=O)c3cncc(-c4cc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C)c3)CC2)nn1,TVDNUBZHNXLXQK-UHFFFAOYSA-N
-rxn:4:219430:223528,Cc1ccc(OC2CCN(C(=O)c3cncc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)CC2)nn1,FBCBIPVFKGQCCT-UHFFFAOYSA-N
-rxn:4:219451:222913,Cn1cc(-c2ccc(CNS(=O)(=O)C3CC3)cc2)c(C(=O)N2CCCN(CC3CC3)CC2)n1,WAXDPNBORDWPJG-UHFFFAOYSA-N
-rxn:4:219456:224931,CCN(CC)c1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc(C2CC2)n1,KUDPJYUNKVXMBY-UHFFFAOYSA-N
-rxn:4:219458:222612,COc1ccnc(N2CCN(Cc3ccccc3-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)CC2)n1,GUPTUSYSKKPODB-UHFFFAOYSA-N
-rxn:4:219475:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cccnc1OC1CCN(C(=O)c2ccc(=O)n(C)n2)CC1,HUNUJNGMVGUKOW-UHFFFAOYSA-N
-rxn:4:219499:227495,CCN(C)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)c(F)cn1,VFTVYXDQCKTXMI-UHFFFAOYSA-N
-rxn:4:219501:226249,CCCCOc1cc(Cl)cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1,INMIVSHRFPHYMC-UHFFFAOYSA-N
-rxn:4:219501:228206,CSc1ncc(-c2cc(F)cc(N(C)C)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,MXYULTJYDFHVQG-UHFFFAOYSA-N
-rxn:4:219539:224729,COc1nccc(-c2ccccc2C(=O)N2CCN(c3cc(C4CC4)nn3C)CC2)c1C(=O)OC(C)(C)C,WTABGWOWLYNAOI-UHFFFAOYSA-N
-rxn:4:219560:227681,COC(Cn1cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cn1)OC,HFXTYDYJOABROE-UHFFFAOYSA-N
-rxn:4:219653:225379,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)nc3s2)CC1,SEDHLZCVKKFGOM-UHFFFAOYSA-N
-rxn:4:219654:224684,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(C(=O)N5CCC(=O)CC5)cc4)cc23)CC1,KPTNXSOQSSXKOJ-UHFFFAOYSA-N
-rxn:4:219654:224685,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cccc(C(=O)N5CCC(=O)CC5)c4)cc23)CC1,MMPYLASFBJUJKC-UHFFFAOYSA-N
-rxn:4:219666:224267,O=C(c1cccc(-c2cccc(N3CCC4(CC3)OCCO4)c2)c1)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1,OJQAAVUSMNCIQM-UHFFFAOYSA-N
-rxn:4:219675:223996,CN1CCN(c2ccc(-c3cccc(Cn4nc5ccc(S(=O)(=O)N6CCCC6)cn5c4=O)c3)c(C(F)(F)F)c2)CC1,GPAUHQYSIQYOCG-UHFFFAOYSA-N
-rxn:4:219710:223823,COc1cc(OC)cc(N2C(=O)C3N=NN(c4ccc(-c5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)c(C)c4)C3C2=O)c1,BLGNNOUTKURHOI-UHFFFAOYSA-N
-rxn:4:219759:223532,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc2)OC3)CC1,KTANVNXQKIQYDD-UHFFFAOYSA-N
-rxn:4:219840:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2cnc(N3CCN(CCF)CC3)nc2)c1,KTDBWGNYTVYQKO-UHFFFAOYSA-N
-rxn:4:219861:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)N4CC(n5nccn5)C4)c3C)ccc2OC)CC1,TXMITIROXCIUSN-UHFFFAOYSA-N
-rxn:4:219880:224672,CCN1CCN(c2ccc(-c3cnc(SC)nc3N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)CC1,FUNCGAXYUXBVRM-UHFFFAOYSA-N
-rxn:4:219909:223602,Cn1cnc(N2CCC(Oc3ccncc3-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)C2)cc1=O,YUHLTSMSUKYSNP-UHFFFAOYSA-N
-rxn:4:219932:223640,CCOC12C(=O)c3cc(F)cc(-c4ccccc4CN4CCN(c5ccncn5)CC4)c3C(=O)C1C2(C)C,SRZCIJDVNADDJB-UHFFFAOYSA-N
-rxn:4:219934:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2)cc1OCC,YDJGDUCMSRCXKH-UHFFFAOYSA-N
-rxn:4:220041:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,BNFYXUAGFHPYLU-HNNXBMFYSA-N
-rxn:4:220137:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2nc(N3CCN(S(=O)(=O)C4CC4)CC3)ncc2c1,AAXNSIUPBVOWFL-UHFFFAOYSA-N
-rxn:4:220149:225104,CCN(CC)C(=O)c1ccc(F)c(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)c1,TUXPRCQGPZTYCX-UHFFFAOYSA-N
-rxn:4:220192:223529,Cc1ccc(N2CCn3c2nn(Cc2ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc2)c(=O)c3=O)cc1,CQHQBERDMHFCGX-UHFFFAOYSA-N
-rxn:4:220221:223687,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc2)OC3)CC1,XHQZQKYZMIQDPG-UHFFFAOYSA-N
-rxn:4:220221:225877,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(Cl)cc4N4CCOCC4)cc2)OC3)CC1,BWUATHCDXZCWSK-UHFFFAOYSA-N
-rxn:4:220226:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCCC(C(=O)N6CCOCC6)C5)ncc4c3)c2)CC1,QSNSGWIZACGUSD-UHFFFAOYSA-N
-rxn:4:220226:226231,CCCCOc1ncc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)ncc3c2)cc1C,OJZRRUNKPLZERD-UHFFFAOYSA-N
-rxn:4:220267:223506,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)c4ccccc4N23)c1C,HUHUWPIAASJVCM-UHFFFAOYSA-N
-rxn:4:220414:224325,Cc1c(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cnc(N2CCN(C)CC2)c1[N+](=O)[O-],BZXIUPJRSJINLY-UHFFFAOYSA-N
-rxn:4:220536:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc3ncnc(N4CCN(C5CCC5)CC4)c3c2)CC1,IZDVHANNOLSKTF-UHFFFAOYSA-N
-rxn:4:220536:223997,Cc1cc(-c2ccc3ncnc(N4CCN(C5CCC5)CC4)c3c2)cc(C)c1S(=O)(=O)N1CCOCC1,IVGAQYBYAIBQOH-UHFFFAOYSA-N
-rxn:4:220536:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc3ncnc(N4CCN(C5CCC5)CC4)c3c2)CC1,APWZDEBUKWDZQC-UHFFFAOYSA-N
-rxn:4:220536:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc2ncnc(N3CCN(C4CCC4)CC3)c2c1,MPBYAEZHNVWDFS-UHFFFAOYSA-N
-rxn:4:220536:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2ncnc(N3CCN(C4CCC4)CC3)c2c1,IBBLTGMYFNZUIU-UHFFFAOYSA-N
-rxn:4:220536:224394,Cc1ccc(-c2ccc3ncnc(N4CCN(C5CCC5)CC4)c3c2)cc1S(=O)(=O)N1CCOCC1,GMBCQCCZNBQGKC-UHFFFAOYSA-N
-rxn:4:220536:224396,Cc1cc(-c2ccc3ncnc(N4CCN(C5CCC5)CC4)c3c2)ccc1S(=O)(=O)N1CCOCC1,QAGHYXXHWSTYFW-UHFFFAOYSA-N
-rxn:4:221103:223812,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)cn1,DXAXATANNWSYOE-UHFFFAOYSA-N
-rxn:4:221107:225313,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)c(=O)c1C,DJKVJUVOUIWNRC-UHFFFAOYSA-N
-rxn:4:221110:228875,CN1CCN(CC#CCOC2CCN(c3ncc(-c4ccnc(Cl)c4C#N)cn3)CC2)CC1,CUNWLIGGRCEWEE-UHFFFAOYSA-N
-rxn:4:221117:223771,COc1ccc2c(c1)cc(-c1ccc3nc(N(CCN4CCOCC4)C(=O)c4cnccn4)sc3c1)n2C(=O)OC(C)(C)C,OOIVDLMIOSLLIH-UHFFFAOYSA-N
-rxn:4:221121:225478,Cc1ccc(-c2cncc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c2)cc1,DXSWRNMXRIVSPD-UHFFFAOYSA-N
-rxn:4:221153:223810,Cc1cc(-c2cnc(N3CCCC(COc4cc(C#N)ccn4)C3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,JYAWZDNEBRSJEJ-UHFFFAOYSA-N
-rxn:4:221156:224371,CCn1cc(S(=O)(=O)N2CC(Cn3cc(-c4cnc(N5CCC(C(=O)OC)CC5)nc4)cn3)C2)nc1C,YPVFTHDSUWUUGY-UHFFFAOYSA-N
-rxn:4:221177:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(COc5cc(C6CC6)ncn5)CC4)nc3)c2)CC1,UGMBZWYTQUFZIR-UHFFFAOYSA-N
-rxn:4:221177:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(COc5cc(C6CC6)ncn5)CC4)nc3)cc2)CC1,CQZPDPKRIWCQCB-UHFFFAOYSA-N
-rxn:4:221177:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)c1,OHXQCNRXDLXAJM-UHFFFAOYSA-N
-rxn:4:221181:222634,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)nn1C,IPYNDLAYJPEIQG-UHFFFAOYSA-N
-rxn:4:221181:225172,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)nn1C,HGFIBXOXEWXUTQ-UHFFFAOYSA-N
-rxn:4:221182:222931,COCCN1C(=O)CN(C2CCN(c3ncc(-c4cnc(Cl)c(N5CCCCC5O)c4)cn3)CC2)C1=O,HKYCYFSRISXANC-UHFFFAOYSA-N
-rxn:4:221204:223180,CONC(=O)c1ccc(-c2ccc(CCN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc1F,MWYAVAYTRJYGFD-UHFFFAOYSA-N
-rxn:4:221207:227710,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(OS(C)(=O)=O)cc4)cc3)CC2)n1,QVQUBBJMGBZJLQ-UHFFFAOYSA-N
-rxn:4:221208:222833,Cc1cc(N2CCN(CCc3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc3)CC2)nc(N2CCOCC2)n1,OUCPOGDYSGEPGB-UHFFFAOYSA-N
-rxn:4:221226:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(Cc5cn6ccccc6n5)C4)nc3)cc2F)CC1,OXHFIPCJJRRSLZ-UHFFFAOYSA-N
-rxn:4:221240:223602,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C1)CCC2,BBQDNJTWXTYYIK-UHFFFAOYSA-N
-rxn:4:221245:224318,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(C(=O)N6CCN(C)CC6)c(F)c5)c4)CC3)nn2c1C,PSAMBJGNYBUMJU-UHFFFAOYSA-N
-rxn:4:221250:226719,CCOC(=O)c1cnc(Cl)c(-c2ccc(C3=NN(C(=O)CN4CCCCC4)C(c4nc5ccccc5[nH]4)C3)cc2)c1,CVMYAVZOFYIEJZ-UHFFFAOYSA-N
-rxn:4:221286:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CC(Cn5cncn5)C4)c3)ccc2OC)CC1,AAMUXVQJFRPXGE-UHFFFAOYSA-N
-rxn:4:221313:224061,CCCC1CCC(c2ccc(-c3cncc(C(=O)N4CC(S(=O)(=O)c5nncn5C)C4)c3)c(F)c2)CC1,LKXHWENZFKBEDV-UHFFFAOYSA-N
-rxn:4:221342:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5cnccn5)CC4)nc3)cc2[N+](=O)[O-])CC1,XDOCDVQXUQFYCI-UHFFFAOYSA-N
-rxn:4:221360:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(OC4CCCN(S(=O)(=O)c5cn(C)cn5)C4)nc3)c2)CC1,RDEQVVMSZTXIGJ-UHFFFAOYSA-N
-rxn:4:221369:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)c(F)c2)CC1,JIJLZRFINQUTIC-WBFAGQMUSA-N
-rxn:4:221374:223533,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)c1=O,IKVMONRIPMSXKS-UHFFFAOYSA-N
-rxn:4:221394:224818,O=c1ccc(C2CC2)nn1CC1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)CC1,OWFCKOQHDKGAGJ-UHFFFAOYSA-N
-rxn:4:221395:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cnc1Cl,MYQWAPCVLIZVQU-UHFFFAOYSA-N
-rxn:4:221426:222967,CC(C)CNC(=O)c1cccc(-c2ccccc2CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,OQQFKHJDTORVRR-UHFFFAOYSA-N
-rxn:4:221427:222967,CC(C)CNC(=O)c1cccc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1,KETYZJKXMYJWAT-UHFFFAOYSA-N
-rxn:4:221441:222967,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4cccc(C(=O)NCC(C)C)c4)c3)CC2)n1,OSCCLZYPCBUXPX-UHFFFAOYSA-N
-rxn:4:221443:226577,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4cc(Cl)cc(C(=O)N(C)C)c4)c3)CC2)n1,HQRZLURZNJIXLW-UHFFFAOYSA-N
-rxn:4:221445:223653,COc1cc2cc(-c3cccc(CN4CCN(c5cc(C)nc(N6CCOCC6)n5)CC4)c3)n(C(=O)OC(C)(C)C)c2cc1Cl,JDPFCSQEBCCDFV-UHFFFAOYSA-N
-rxn:4:221447:222504,Cc1cc(N2CCN(Cc3ccc(-c4ccc(F)c(C(=O)NCc5ccc(F)cc5)c4)cc3)CC2)nc(N2CCOCC2)n1,OAUSCXIRACTDQW-UHFFFAOYSA-N
-rxn:4:221448:222682,COc1cccc(-c2ccc(CN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc2)c1NC(=O)OC(C)(C)C,VTWCSHQUORHWJK-UHFFFAOYSA-N
-rxn:4:221449:223313,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(O)CC5)cc4)cc3)CC2)n1,MPVHGUWWZLRUHD-UHFFFAOYSA-N
-rxn:4:221449:224327,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCCC(C)C5)c4)cc3)CC2)n1,WQWXZWDGMIKDOG-UHFFFAOYSA-N
-rxn:4:221449:227710,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OS(C)(=O)=O)cc4)cc3)CC2)n1,CARRHYNAFQPOKF-UHFFFAOYSA-N
-rxn:4:221449:227858,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4CN(C)C5)cc3)CC2)n1,DGAMCFLWYGZYRG-UHFFFAOYSA-N
-rxn:4:221449:228695,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4csc(CN(C)C)c4)cc3)CC2)n1,CVFVMVBNIWNUOM-UHFFFAOYSA-N
-rxn:4:221456:222968,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC(C)C)cc4)cc3)CC2)n1,LGWSSGQIUBXCLP-UHFFFAOYSA-N
-rxn:4:221456:225296,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cc3)CC2)n1,WUGUUZOIWZQDOO-UHFFFAOYSA-N
-rxn:4:221456:225297,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCCC5)c4)cc3)CC2)n1,BXHXPJGFVUSSIN-UHFFFAOYSA-N
-rxn:4:221456:227858,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4CN(C)C5)cc3)CC2)n1,PTGJCQGTXIYHKH-UHFFFAOYSA-N
-rxn:4:221478:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(C(=O)c5ccc6nccnc6c5)C4)c3)ccc2OC)CC1,YUQPOBUXDDRRJC-UHFFFAOYSA-N
-rxn:4:221495:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc4[nH]cc(C(=O)C(=O)N5CCN(c6ncccn6)CC5)c4c3)c2)CC1,QIZWJNVTBRSXAB-UHFFFAOYSA-N
-rxn:4:221498:224668,CCN1CCN(c2cc(F)cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c2)CC1,CDDNOUDCPGAWRG-UHFFFAOYSA-N
-rxn:4:221515:222719,O=C(c1cncc(-c2cc(C3CCCNC3)nc(C(F)(F)F)c2)c1)N1CC2CN(c3cc(C4CC4)ncn3)CC2C1,DADGERGNRQTYBI-UHFFFAOYSA-N
-rxn:4:221642:226577,CN(C)C(=O)c1cc(Cl)cc(-c2cnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nc2)c1,GTDBIYGWRQDBSP-UHFFFAOYSA-N
-rxn:4:221727:223784,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCN(c5cc6c(nn5)CCCC6)CC4)c3)cc2F)CC1,VIPQWORAXASEAF-UHFFFAOYSA-N
-rxn:4:221729:223660,Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)cn2)CC1,ABCXWGWXARNEHG-UHFFFAOYSA-N
-rxn:4:221740:223812,CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cc2)n(C)c1=O,GLZKGGVGVBYDDE-UHFFFAOYSA-N
-rxn:4:221779:224795,CCN(CC)S(=O)(=O)c1cc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCC5(CC3)OCCO5)c3ccccc34)cc2)ccc1F,LSOBLBGIWUGRNM-UHFFFAOYSA-N
-rxn:4:221832:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,AFHAWMXZSQBHAU-UHFFFAOYSA-N
-rxn:4:221832:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,OQVOKDHOLNFDIB-UHFFFAOYSA-N
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-rxn:4:221913:225222,CC1CCCCN1c1cc(-c2cccnc2OC2CCN(C(=O)CSc3nnnn3C)CC2)c(F)cn1,ZIAUSDXWDHETFC-UHFFFAOYSA-N
-rxn:4:221914:222905,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4cccnc4NC(=O)OC(C)(C)C)cc3)n2)CC1,ULNYVNHKSVJZJJ-UHFFFAOYSA-N
-rxn:4:221917:223542,CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCN(C)CC6)c5)c4)CC3)nn2)n1,LGYWFLJFVHQTGP-UHFFFAOYSA-N
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-rxn:4:222062:228531,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc5c4CCO5)cc3)CC2)n1,YGXTYODYZWBHAX-UHFFFAOYSA-N
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-rxn:4:222382:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCCN(c5ccc6nncn6n5)CC4)nc3)ccc2OC)CC1,PXNFWMYCQLUEOM-UHFFFAOYSA-N
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-rxn:4:222611:189938,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(S(=O)(=O)N2CCC(OC)C2)c1,YAIHXLGHVATOAV-UHFFFAOYSA-N
-rxn:4:222611:193943,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(C(C)N2CCCCC2C)c1,ZGCJRAPEIOLJEP-UHFFFAOYSA-N
-rxn:4:222612:207736,CN1C2CCC1CC(Oc1ccc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cn1)C2,CIBQQRANQOAZLT-UHFFFAOYSA-N
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-rxn:4:222811:174515,CC(C)[Si](Oc1ccc(-c2cc(Cl)nc(NC(=O)OC(C)(C)C)c2)cc1)(C(C)C)C(C)C,ZSMRYXOSPZGJNV-UHFFFAOYSA-N
-rxn:4:222820:204681,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1F,IEDJGTFHICSSLV-UHFFFAOYSA-N
-rxn:4:223071:183937,CCS(=O)(=O)NCc1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CCC2)cc1,UOMGAASPMOWSKD-UHFFFAOYSA-N
-rxn:4:223080:184693,CC(C)NS(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c2)cc1,INBNFDCYXATJCM-UHFFFAOYSA-N
-rxn:4:223092:207081,CN(C)S(=O)(=O)Nc1cccc(-c2cncc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)c1,XJVLQWWOGGGOMG-UHFFFAOYSA-N
-rxn:4:223541:208815,Cc1nc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1S(N)(=O)=O,OQDAKCKYMSOGFC-UHFFFAOYSA-N
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-rxn:4:223641:174656,CCc1cc2c(cc1F)cc(-c1cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c13)n2C(=O)OC(C)(C)C,OZWRZNJHUIBZEV-UHFFFAOYSA-N
-rxn:4:223641:185243,CCc1cc2c(cc1F)cc(-c1ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)cc1)n2C(=O)OC(C)(C)C,CNAOCGYXLJMVHO-UHFFFAOYSA-N
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-rxn:4:223830:219268,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)cc3C(=O)N3CC(n4nccn4)C3)ccc2C)CC1,IIOSXKLUGHIGNK-UHFFFAOYSA-N
-rxn:5:176859:225982:225976,COC(=O)c1cc(OC)c(-c2cnc(N3CCOCC3)cc2F)cc1-c1ccnc(N2CCOCC2)c1F,BZJVVRKRGGYUQQ-UHFFFAOYSA-N
-rxn:5:176860:225976:225982,COC(=O)c1c(-c2ccnc(N3CCOCC3)c2F)ccc(OC)c1-c1cnc(N2CCOCC2)cc1F,KROLSOJDZJZJAX-UHFFFAOYSA-N
-rxn:5:176860:226654:225976,COC(=O)c1c(-c2csc(N3CCC(C)CC3)n2)ccc(OC)c1-c1ccnc(N2CCOCC2)c1F,FXQBORQETLEGNM-UHFFFAOYSA-N
-rxn:5:176863:222989:222984,COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2C)cc(OC)c1-c1ccc(CN2CCC(O)C2)cc1,JSOWWIOYNUEZMG-UHFFFAOYSA-N
-rxn:5:176865:223008:223065,COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)cc(OC)c1-c1cc(C2CCNCC2)ccc1F,SYLGDZDLAQOFBA-UHFFFAOYSA-N
-rxn:5:176871:225976:225976,COC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)c(OC)cc1-c1ccnc(N2CCOCC2)c1F,IGHFZKLXJPXFRQ-UHFFFAOYSA-N
-rxn:5:176871:225976:225982,COC(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)c(OC)cc1-c1ccnc(N2CCOCC2)c1F,UNNXBIXQVOXNFS-UHFFFAOYSA-N
-rxn:5:176871:225982:225976,COC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)c(OC)cc1-c1cnc(N2CCOCC2)cc1F,DSGVVSMKCSFJOG-UHFFFAOYSA-N
-rxn:5:177184:223010:223064,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1ccc(C2(O)CCOCC2)cc1,MPLUIEQUEAZAPK-UHFFFAOYSA-N
-rxn:5:177187:222989:223065,CCOC(=O)c1cc(C)cc(-c2ccc(N3CCNCC3)cc2C)c1-c1ccc(N2CCNCC2)cc1F,YJMHOVUVHYGJII-UHFFFAOYSA-N
-rxn:5:177190:223054:226187,CCS(=O)(=O)Cc1ccc(-c2cccc(C3CCOCC3)c2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,VUTYVXBXFGPGSJ-UHFFFAOYSA-N
-rxn:5:177190:226032:225395,CCS(=O)(=O)Cc1ccc(-c2cc(C3CC3)cc(C(C)(C)C)c2)c(-c2cc(OC)cc(C(F)(F)F)c2F)c1,JTGIXCUYVZCONU-UHFFFAOYSA-N
-rxn:5:177447:225794:225632,COc1cc(-c2cnc(OC3CCCCC3)nc2)cc(-c2cccc(N3CCN(C)CC3)c2)c1OC(C)C,UHNUVTMVEKEQLE-UHFFFAOYSA-N
-rxn:5:177729:223139:225438,CC(c1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,YDECIUXKDBYYIM-UHFFFAOYSA-N
-rxn:5:177729:225636:223131,CC1CCN(c2cc(-c3ccc(C(=O)OC(C)(C)C)c(-c4ccc(N5CCNCC5)cc4)c3)ccn2)CC1,RGSQRXKMXOBITJ-UHFFFAOYSA-N
-rxn:5:177729:227390:223064,CC(C)(C)OC(=O)c1ccc(-c2ccnn2C2CCCCC2)cc1-c1ccc(C2CCNCC2)nc1F,GARGNPYSKUCJSA-UHFFFAOYSA-N
-rxn:5:177732:223138:223054,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccnc(C3CCNCC3)c2)s1)N1CCC(O)C1,JUDINVILKAUYLK-UHFFFAOYSA-N
-rxn:5:177732:223139:223054,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc(C3CCNCC3)nc2)s1)N1CCC(O)C1,UBTKXBGFDOZHAG-UHFFFAOYSA-N
-rxn:5:177733:223065:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cc(-c2ccc(N3CCNCC3)cc2F)c1,HVYSBWVYMNBCNA-UHFFFAOYSA-N
-rxn:5:177737:223054:227387,CC(c1ccc(-c2ccc(-c3ccnc(N4CCCC4)c3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,RFDAZNZCOZFBDG-UHFFFAOYSA-N
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-rxn:5:177739:223054:223062,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2cnc(C3CCNCC3)cc2F)s1)N1CCC(O)C1,CPSBKKWFSAVZMC-UHFFFAOYSA-N
-rxn:5:177739:223062:225805,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2cnc(C3CCNCC3)cc2F)s1)N1CCOCC1,BLBRAKLASQRFBS-UHFFFAOYSA-N
-rxn:5:177739:223294:225982,CC(C)(C)OC(=O)c1cccc(-c2csc(N3CCNCC3)n2)c1-c1cnc(N2CCOCC2)cc1F,DBWBODCCVVTCRE-UHFFFAOYSA-N
-rxn:5:177739:226085:225395,CC(C)(C)OC(=O)c1cccc(-c2ccc3c(c2)CCC(C)(C)O3)c1-c1cc(C2CC2)cc(C(C)(C)C)c1,WZMZQCDRCBDAAO-UHFFFAOYSA-N
-rxn:5:177891:222421:222957,Cc1cc(C2CCCNC2)cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cncc(S(N)(=O)=O)c2)c1,CEFFFCZDMJRGQJ-UHFFFAOYSA-N
-rxn:5:177891:223133:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1ccccc1N1CCNCC1,MGDDTSGWZBYLAW-UHFFFAOYSA-N
-rxn:5:177891:223139:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCNCC3)nc2)s1)N1CCOCC1,YQPWJAIXTCCOPG-UHFFFAOYSA-N
-rxn:5:177891:223186:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnn(C3CCCCO3)c2)s1)N1CCOCC1,RAXIVDAXFGAKHM-UHFFFAOYSA-N
-rxn:5:177891:223250:226330,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc3c(c2)NC(=O)CO3)s1)N1CCCC1,CBTJNIWNQCVWHJ-UHFFFAOYSA-N
-rxn:5:177891:223295:223146,CS(=O)(=O)Nc1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(C3CNCCO3)c2)c1,VPQZEYUGKSVBAN-UHFFFAOYSA-N
-rxn:5:177891:225514:228794,C[Si](C)(C)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc3c2OCC2(CC2)CO3)s1,DGIZWAZRBAZXDC-UHFFFAOYSA-N
-rxn:5:177891:225684:225813,Cc1nc(C2CCOCC2)ccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1cc(F)c(OC(C)C)c(F)c1C,SYFUQGAKSCXSRC-UHFFFAOYSA-N
-rxn:5:177891:225784:223138,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNCC2)c1)c1ccccc1-c1ccc(CN2CCOCC2)nc1,FVHHMTYGGKJDJC-UHFFFAOYSA-N
-rxn:5:177891:225803:227491,O=C(SC1CS(=O)(=O)CC1c1cnc(OC2CCC2)nc1)c1ccccc1-c1ccnc(OC2CCOCC2)c1,AXWSBYQZWSZPEB-UHFFFAOYSA-N
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-rxn:5:177891:226067:223295,CS(=O)(=O)Nc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3=CCCCC3)cc2)c1,NXRBBHNHEGTDFQ-UHFFFAOYSA-N
-rxn:5:177891:226364:223285,CS(=O)(=O)Nc1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(N2CCCCC2)nc1,MBUFXGMRSYOXJO-UHFFFAOYSA-N
-rxn:5:177891:226447:227027,N#CC1(c2ccccc2C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCOCC3)c2)CC1,JBCZABKIXHPHBH-UHFFFAOYSA-N
-rxn:5:177891:226452:227517,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2COC2)nc1)c1ccccc1-c1ccc(C2OCCCO2)cc1,GWTCGLOSPKGPIH-UHFFFAOYSA-N
-rxn:5:177891:226583:227684,O=C(SC1CS(=O)(=O)CC1c1cnn(CC2OCCO2)c1)c1ccccc1-c1ccc(CN2CCOCC2)s1,OFTHNADDOGSMPP-UHFFFAOYSA-N
-rxn:5:177891:226597:226342,COC(=O)c1c(C)cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cc(F)c(OC(C)C)c(F)c2)cc1C,ICAAKPHQJANPFI-UHFFFAOYSA-N
-rxn:5:177891:226643:226643,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)nc1)c1ccccc1-c1ccc(N2CCOCC2)nc1,VHVXBMCYJLMMND-UHFFFAOYSA-N
-rxn:5:177891:226645:227992,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)cc1)c1ccccc1-c1ccnc(N2CCOCC2)c1,UNAKXRVZMILRQD-UHFFFAOYSA-N
-rxn:5:177891:226649:223354,CNC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2N2CCOCC2)cc1,OMPXLZXTFWIHJM-UHFFFAOYSA-N
-rxn:5:177891:226729:227278,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnc(OC4CCOC4)nc3)cn2)CC1,OIFKXWCZOAWHIE-UHFFFAOYSA-N
-rxn:5:177891:227381:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc(C3CCCC3)nc2)ccc1C1COC1,ZGUIBDGKTDWNFU-UHFFFAOYSA-N
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-rxn:5:177891:227626:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1cnc(C2CCOC2)nc1,MZYLLFYVWRVUCQ-UHFFFAOYSA-N
-rxn:5:177891:227626:227026,N#Cc1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc(C3CCOC3)nc2)cc1C1CC1,OFULHMPAVNGIIC-UHFFFAOYSA-N
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-rxn:5:177891:228584:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1ccnc(C2CC2)c1,YBPCZAJCXUYSAL-UHFFFAOYSA-N
-rxn:5:177891:228879:225440,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnn3C3COC3)cc2)CCCC1,ZFHYJKGHWNRHPZ-UHFFFAOYSA-N
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-rxn:5:178225:226583:227803,CN(C)S(=O)(=O)n1nccc1-c1c(OCC2CCCCC2)cccc1-c1ccc(CN2CCOCC2)s1,IGHUHSCVWWPECU-UHFFFAOYSA-N
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-rxn:5:178295:226918:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2ccc(C3=CCCC3)cc2)CCC(=O)CC1,CIHOLOIJISFEDS-UHFFFAOYSA-N
-rxn:5:178295:226920:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cc(C(C)(C)C)ccc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LHONZKCYCNDTEL-UHFFFAOYSA-N
-rxn:5:178295:227045:228146,CCc1cncc(-c2ccc(-c3cccc(SC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,FDMGEMNCIBPRBP-UHFFFAOYSA-N
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-rxn:5:178295:227076:228157,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(OC)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,FTOIABLIMRMWRI-UHFFFAOYSA-N
-rxn:5:178295:227095:227772,COC(=O)C1(c2cc(-c3cncc(OC(F)(F)F)c3)ccc2-c2ccc(C3CC(=O)C3)cc2)CCC(=O)CC1,IWFDPHBWKRZRFQ-UHFFFAOYSA-N
-rxn:5:178295:227115:227833,CCc1cc(C)cc(C)c1-c1ccc(-c2cc(C)c(C3CC3)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,DNVIDVITXSYUJI-UHFFFAOYSA-N
-rxn:5:178295:227276:228419,CCc1cc(N(C)C)ncc1-c1ccc(-c2cc(F)c(SC)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,LUNFUEXNDBMEKO-UHFFFAOYSA-N
-rxn:5:178295:227525:227102,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(C(C)(C)C)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,HLNNOYYOGHUMCE-UHFFFAOYSA-N
-rxn:5:178295:228141:227045,CCCc1cc(F)c(-c2ccc(-c3cccc(SC(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,MUEXUBFBUCXDRO-UHFFFAOYSA-N
-rxn:5:178295:228396:227534,CCOc1cc(F)c(-c2ccc(-c3c(F)cc(OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,LHEUWSQIPWFJNR-UHFFFAOYSA-N
-rxn:5:178295:228396:227541,CCOc1cc(F)c(-c2ccc(-c3c(F)cc(OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,ILLZVGMRLKXHGB-UHFFFAOYSA-N
-rxn:5:178295:228694:227102,CCN(C)c1csc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UFMOJNKWGFDZJD-UHFFFAOYSA-N
-rxn:5:178313:225394:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2cc(C3CCCCC3)ccc2F)c1,WDMXCBDJQQUNCZ-UHFFFAOYSA-N
-rxn:5:178313:225453:227331,CC(C)Oc1cccc(F)c1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1cccc(SC2CCCCC2)c1,VVESKMVRWZYSJS-UHFFFAOYSA-N
-rxn:5:178313:225499:227067,COc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3CCCCC3)cc2F)c(C2CC2)c1,FSQUKOOMENILRJ-UHFFFAOYSA-N
-rxn:5:178313:225499:227075,COc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3CCCCC3)cc2F)cc(C(C)C)c1,UPOPAVRFEFDWKR-UHFFFAOYSA-N
-rxn:5:178313:225602:226907,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3(C#N)CCC3)ccc2F)c(-c2cccc3c2CCC32CC2)c1,VGHUOTJQNKKXFJ-UHFFFAOYSA-N
-rxn:5:178313:226150:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCC3)c2)c(-c2cc(C3CCCCC3)ccc2F)c1,BEDDNOKMEKXGQX-UHFFFAOYSA-N
-rxn:5:178313:226779:226177,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)c(-c2ccnc(C3CCCCC3)c2)c1,NSGSZVFDJWEWQQ-UHFFFAOYSA-N
-rxn:5:178313:227094:225451,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnccc2C2CCCC2)c(-c2ccc(SC3CCCCC3)cc2)c1,CBVMFYVSUDZZEV-UHFFFAOYSA-N
-rxn:5:178313:227103:226067,CC(C)(C)[Si](C)(C)Oc1ccc(-c2sccc2C2CCCCC2)c(-c2ccc(C3=CCCCC3)cc2)c1,ZVDDEETUGFMORK-UHFFFAOYSA-N
-rxn:5:178314:226181:226067,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCCC3)nc2)ccc1-c1ccc(C2=CCCCC2)cc1,UIMRZJAYRFPKCF-UHFFFAOYSA-N
-rxn:5:178314:226918:225394,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCC3)cc2)ccc1-c1cc(C2CCC2)cc(C2CC2)c1,IBGCLKPWCLPGJB-UHFFFAOYSA-N
-rxn:5:178314:227803:226685,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2cnc(C3CCOCC3)nc2)c(O[Si](C)(C)C(C)(C)C)c1,HAVVWUBGOSEOPT-UHFFFAOYSA-N
-rxn:5:178315:225498:227069,COc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cc(C4CCCCC4)ccc3F)c2)c(C(C)C)c1,VNQPTYIODMBTMV-UHFFFAOYSA-N
-rxn:5:178466:223062:225976,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,LXFSQFNTMUGVAY-UHFFFAOYSA-N
-rxn:5:178466:225976:225849,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1cnc(N2CCCCC2)cc1F,RKIFLXNBJNUKAN-UHFFFAOYSA-N
-rxn:5:178467:223016:225784,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)c2OC1,LBOWRZREPNMTTE-UHFFFAOYSA-N
-rxn:5:178467:223062:223010,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,BFDPIJNTWXHGCP-UHFFFAOYSA-N
-rxn:5:178467:223140:226144,CCOC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,KALVSBVQCBNEDZ-UHFFFAOYSA-N
-rxn:5:178467:223281:222959,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)c(C)c3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,FVJAIPJQPAXARA-UHFFFAOYSA-N
-rxn:5:178467:225632:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3cccc(N4CCN(C)CC4)c3)c2OC1,BYJPTNHBOWWLCS-UHFFFAOYSA-N
-rxn:5:178467:225654:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3ccc(N4CCCC(C)C4)nc3)c2OC1,LSNPSLGMVLECNV-UHFFFAOYSA-N
-rxn:5:178467:225982:227379,CCOC(=O)C1=Cc2cc(-c3cccnc3N3CCCC3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,VBDKTBWUMWKXSV-UHFFFAOYSA-N
-rxn:5:178467:226366:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3ccnc(N4CCCCC4)c3)c2OC1,OHRZJEXUIWIFCU-UHFFFAOYSA-N
-rxn:5:178467:226366:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3ccnc(N4CCCCC4)c3)c2OC1,VHXYUYHQEKDJOI-UHFFFAOYSA-N
-rxn:5:178467:226427:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3cc(N4CCC(C)CC4)cs3)c2OC1,PGMVYEXITLWQCB-UHFFFAOYSA-N
-rxn:5:178467:226644:226661,CCOC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3cncc(N4CCOCC4)c3)c2OC1,GDWFWMJLTQFEOX-UHFFFAOYSA-N
-rxn:5:178467:226649:227702,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)cnc3F)cc(-c3cccnc3N3CCOCC3)c2OC1,BAOQREWQWUMUCA-UHFFFAOYSA-N
-rxn:5:178467:226662:228304,CCOC(=O)C1=Cc2cc(-c3cnc(OC(C)C)nc3)cc(-c3ccc(N4CCN(C)CC4)s3)c2OC1,FILOVKHBDWIWTB-UHFFFAOYSA-N
-rxn:5:178467:226664:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,ZXFMPTZQZIQLRA-UHFFFAOYSA-N
-rxn:5:178467:226664:227387,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCC4)c3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,YYZQDXZGVQPRBF-UHFFFAOYSA-N
-rxn:5:178467:226685:227303,CCOC(=O)C1=Cc2cc(-c3cccc(CN(C)C)c3F)cc(-c3cnc(C4CCOCC4)nc3)c2OC1,GEANIVLBEAAMGU-UHFFFAOYSA-N
-rxn:5:178467:227505:223136,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2OC1,RJCCEPZLWFUJOJ-JLHYYAGUSA-N
-rxn:5:178467:227701:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3cc(C(=O)OC)ncc3F)c2OC1,HKUVEEDIEIDQBH-UHFFFAOYSA-N
-rxn:5:178467:227703:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,DLYXXGVLBNWJFC-UHFFFAOYSA-N
-rxn:5:178467:228318:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cnccc3C(=O)OC)c2OC1,BPIKPUVIDWGARK-UHFFFAOYSA-N
-rxn:5:178467:228327:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cnc(OC)c(OC)c3)c2OC1,YNJFZACOBNVLAW-UHFFFAOYSA-N
-rxn:5:178556:223008:226331,N#CC1(c2ccc(-c3ccc(-c4cc(C5CCNCC5)ccc4F)c(COc4ccc5c(c4)C(=O)CCC5)c3)c(F)c2)CC1,XMNHYHZBGZTQLE-UHFFFAOYSA-N
-rxn:5:179417:225805:226583,CCS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(CN3CCOCC3)s2)c1,KKEJBOKEMRPQGY-UHFFFAOYSA-N
-rxn:5:179629:225452:222956,COc1ccc(-c2ccc(OC3C=CCCC3)cc2)c(S(C)(=O)=O)c1-c1ccc(C)cc1C1CCCNC1,YIMYJNXMAFZHLS-UHFFFAOYSA-N
-rxn:5:179629:225617:226583,COc1ccc(-c2ccc(OC3CCCCO3)cc2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,XJITULONDJAQMF-UHFFFAOYSA-N
-rxn:5:180022:223146:225986,COc1c(-c2ccccc2N2CCCS2(=O)=O)ccc(-c2cccc(C3CNCCO3)c2)c1C1OCCO1,XYQCWBZNMLQMQR-UHFFFAOYSA-N
-rxn:5:180022:225931:223135,COc1c(-c2cccnc2C2CCCNC2)ccc(-c2cc(C)cc(S(=O)(=O)N(C)C)c2)c1C1OCCO1,OORZSDZKQVXPCA-UHFFFAOYSA-N
-rxn:5:180092:225944:225585,CC(C)Oc1c(F)cc(F)c(-c2cc(C#C[Si](C)(C)C)cc(-c3ccccc3CN3CCOCC3)c2)c1F,PKNDQDSPCPIYJA-UHFFFAOYSA-N
-rxn:5:180267:225929:225821,CSc1cc(C(C)(C)C)cc(-c2ccc(S(=O)(=O)N(C)C)c(C)c2)c1-c1ccc(C2CC2)c(C(F)(F)F)c1,DJBHWZPGXHDBDI-UHFFFAOYSA-N
-rxn:5:180297:225672:227501,COc1cc(-c2cc(F)nc(C3CCCCC3)c2)c(C2(C)OCCO2)cc1-c1ccc(C=C[N+](=O)[O-])cc1,AXZOZOKQNHTQCN-UHFFFAOYSA-N
-rxn:5:180402:226144:225394,C[Si](C)(C)C#Cc1ccc(-c2ccc(C(=O)C3CCCCC3)c(-c3cc(C4CCC4)cc(C4CC4)c3)c2)cc1,JUIXIHKUEMXDCS-UHFFFAOYSA-N
-rxn:5:180421:223000:227804,O=[N+]([O-])c1cc(-c2ccc(CC3CCCCC3)cc2-c2ccc(C3CCCNC3)c(F)c2)c([N+](=O)[O-])s1,MXWDWPYKNXXXCS-UHFFFAOYSA-N
-rxn:5:180506:226590:223173,CC(C)(C)c1cc(-c2ccc(OC3CCOC3)nc2)c(-c2ccc3c(c2)C(O)CS3(=O)=O)c(C2OCCO2)c1,JUDXWEBKMOBQGA-UHFFFAOYSA-N
-rxn:5:180662:222958:226973,COC(=O)C1=Cc2cc(-c3ccc4c(c3)C(C)(C)CO4)cc(-c3ccc(C)c(C4CCNCC4)c3)c2OC1,NOLNLSWWLPJIJR-UHFFFAOYSA-N
-rxn:5:180662:222986:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,DLWKTWANRUPSFA-UHFFFAOYSA-N
-rxn:5:180662:222987:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3ccc(C4CCNCC4)nc3C)c2OC1,FSPQEYKVTWUABC-JLHYYAGUSA-N
-rxn:5:180662:222998:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3cc(F)cc(C4CCCNC4)c3)c2OC1,NANPXMKIFNLSPG-UHFFFAOYSA-N
-rxn:5:180662:223062:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,RDYGMRGSGBFRMT-UHFFFAOYSA-N
-rxn:5:180662:223065:227084,COC(=O)C1=Cc2cc(-c3ccc(C(C)(C)C)nc3C)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,IAAMFXHZVCLMDN-UHFFFAOYSA-N
-rxn:5:180662:225849:227519,COC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)cc3C)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,IKJYDKDCOLFZBB-UHFFFAOYSA-N
-rxn:5:180662:226645:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,UZXHLJYMNOLSRA-UHFFFAOYSA-N
-rxn:5:180662:226973:222989,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3C)cc(-c3ccc4c(c3)C(C)(C)CO4)c2OC1,QSHQPHANQGPMSC-UHFFFAOYSA-N
-rxn:5:181630:225466:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2ccc(N3CCCCC3C)cc2)cccc1C1OCCO1,XNAODUKYNWOLDU-UHFFFAOYSA-N
-rxn:5:181904:225832:226164,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(N2CCCCC2)cc1,MPCKJUKHAQCQIX-UHFFFAOYSA-N
-rxn:5:181905:225394:225684,Cc1ccc(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1-c1cc(C2CCC2)cc(C2CC2)c1,FNHIHGNFYIJHLZ-UHFFFAOYSA-N
-rxn:5:181907:226425:225407,Cc1cc(-c2ccc(N3CCCCC3C)s2)c(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1,BEKNHVCZLDVTHD-UHFFFAOYSA-N
-rxn:5:181908:222956:222956,Cc1ccc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(C)cc2C2CCCNC2)c(C2CCCNC2)c1,CNDFEKNNFQJNAI-UHFFFAOYSA-N
-rxn:5:181908:223147:225805,Cc1cc(-c2ccc(C3CNCCO3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1C1OCCO1,VQCWBQLLBLJEQQ-UHFFFAOYSA-N
-rxn:5:181908:225607:225407,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccc(C3CCCCCC3)cc2)cc1C1OCCO1,ODHZHDPIQSELFI-UHFFFAOYSA-N
-rxn:5:182010:225832:226185,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCOCC3)cc2)ccc1C1CCOCC1,ZRKCEYTZEJEFFD-UHFFFAOYSA-N
-rxn:5:182010:226686:225683,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCOC3)nc2C)ccc1C1CCOCC1,HDLOXZGGMJLYPJ-UHFFFAOYSA-N
-rxn:5:182012:225587:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(CN3CCOCC3)c2)cc1C1CCCOC1,JTVAPWMEWYNXPW-UHFFFAOYSA-N
-rxn:5:182012:226686:225589,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(CN3CCSCC3)cc2)c(C2CCCOC2)c1,YYKDBJQYSVPPFK-UHFFFAOYSA-N
-rxn:5:183229:225928:226031,Cc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)F)c3c(c2)C(C)(C)CCS3)cc1S(=O)(=O)N(C)C,FLUXGRCITMAGRK-UHFFFAOYSA-N
-rxn:5:188633:225943:223061,COC(=O)c1c(-c2ccc(C(=O)N3CCOCC3)s2)cnc(OC)c1-c1cc(C2CCNCC2)ncc1F,UAENXSXGXKVQFC-UHFFFAOYSA-N
-rxn:5:188874:223008:223064,CON(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1cc(C2CCNCC2)ccc1F,ZPIDKMFHIHCPRZ-UHFFFAOYSA-N
-rxn:5:188930:225639:226645,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)cc1-c1ccnc(N2CCOCC2)c1,JRUQUINJPFODBO-UHFFFAOYSA-N
-rxn:5:188930:227103:223062,COC(=O)c1cc(S(N)(=O)=O)c(-c2sccc2C2CCCCC2)cc1-c1cnc(C2CCNCC2)cc1F,DVYKRHJTSDFMMH-UHFFFAOYSA-N
-rxn:5:188930:227119:226180,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCCCC3)cs2)cc1-c1cc(C)nc(C2CCCC2)c1,RCGZTLWQQBZZGJ-UHFFFAOYSA-N
-rxn:5:188930:227119:226432,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCCCC3)cs2)cc1-c1ccc(C2CCCC2)nc1F,RCGULDYKFCOAPI-UHFFFAOYSA-N
-rxn:5:188930:227119:226438,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCCCC3)cs2)cc1-c1cnc(C2CCCC2)cc1F,GICORPCMXSKMSN-UHFFFAOYSA-N
-rxn:5:188931:228002:223064,COC(=O)c1cc(-c2sccc2C2CCCC2)cc(S(N)(=O)=O)c1-c1ccc(C2CCNCC2)nc1F,YZTUGVINXJYGNH-UHFFFAOYSA-N
-rxn:5:188932:225407:227085,COC(=O)c1cc(-c2ccc(C3CCCCCC3)cc2)c(S(N)(=O)=O)c(-c2ccc(C3CCCC3)nc2)c1,IDNFGAYPTUGPIN-UHFFFAOYSA-N
-rxn:5:188932:225407:227086,COC(=O)c1cc(-c2ccc(C3CCCCCC3)cc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCCC3)c2)c1,LRPXOIRQFOXQHN-UHFFFAOYSA-N
-rxn:5:188932:226915:222987,COC(=O)c1cc(-c2ccc(C3CCCC3)cc2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2C)c1,ZEMSLWSUWZRZJJ-UHFFFAOYSA-N
-rxn:5:188932:226915:222988,COC(=O)c1cc(-c2ccc(C3CCCC3)cc2)c(S(N)(=O)=O)c(-c2cc(C)nc(C3CCNCC3)c2)c1,FNLWMRPTCDDTDU-UHFFFAOYSA-N
-rxn:5:188932:226919:222987,COC(=O)c1cc(-c2cccc(C3CCCC3)c2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2C)c1,NMFUCCZLJFESQK-UHFFFAOYSA-N
-rxn:5:188932:227119:226180,COC(=O)c1cc(-c2cc(C)nc(C3CCCC3)c2)c(S(N)(=O)=O)c(-c2cc(C3CCCCC3)cs2)c1,ZPOIMEWTBMQELY-UHFFFAOYSA-N
-rxn:5:188932:227296:222988,COC(=O)c1cc(-c2ccc(OC3CCC3)nc2)c(S(N)(=O)=O)c(-c2cc(C)nc(C3CCNCC3)c2)c1,MEGQWJFPXLQTQD-UHFFFAOYSA-N
-rxn:5:189207:227901:223141,CC(C)Cc1ccc(-c2ccc(-c3cncc(C4CCNCC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)cn1,DGWUMGMCAOMBKF-UHFFFAOYSA-N
-rxn:5:189207:228677:223141,CC(C)Cn1cc(-c2ccc(-c3cncc(C4CCNCC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)cn1,QREZPUGSTVWLCF-UHFFFAOYSA-N
-rxn:5:189208:225602:229085,N#CC1(c2ccc(F)c(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4scnc4C4CC4)c3)c2)CCC1,ARWUAIPLZFGLAH-UHFFFAOYSA-N
-rxn:5:189209:227905:223142,CC(C)Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCCNC4)nc3)c2)ccn1,RFSSOOIJRUOPGV-UHFFFAOYSA-N
-rxn:5:189210:225833:228677,CC(C)Cn1cc(-c2cccc(-c3ccnc(N4CCCCC4)c3F)c2C(=O)ON2C(=O)CCC2=O)cn1,XPIPUNDSKDVNDN-UHFFFAOYSA-N
-rxn:5:189210:225849:228677,CC(C)Cn1cc(-c2cccc(-c3cnc(N4CCCCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)cn1,ANJGCAVTZSQPEH-UHFFFAOYSA-N
-rxn:5:189210:225849:228678,CC(C)Cn1nccc1-c1cccc(-c2cnc(N3CCCCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,KKWYWENBWIGQQX-UHFFFAOYSA-N
-rxn:5:189210:225849:228865,CCOc1cnc(-c2cccc(-c3cnc(N4CCCCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)cn1,KSIVIOFZIGTKNC-UHFFFAOYSA-N
-rxn:5:189210:226658:228677,CC(C)Cn1cc(-c2cccc(-c3ccc(N4CCCC4)nc3F)c2C(=O)ON2C(=O)CCC2=O)cn1,QAOXFZAPECLEAB-UHFFFAOYSA-N
-rxn:5:189210:226664:228677,CC(C)Cn1cc(-c2cccc(-c3cc(N4CCCC4)ncc3F)c2C(=O)ON2C(=O)CCC2=O)cn1,HUGGXIQQAZDKQQ-UHFFFAOYSA-N
-rxn:5:189210:226664:228678,CC(C)Cn1nccc1-c1cccc(-c2cc(N3CCCC3)ncc2F)c1C(=O)ON1C(=O)CCC1=O,QWCGZKLVLSQJOP-UHFFFAOYSA-N
-rxn:5:189210:227818:223139,CCC(C)c1cccc(-c2cccc(-c3ccc(C4CCNCC4)nc3)c2C(=O)ON2C(=O)CCC2=O)c1,IERNKQJPYMCEAD-UHFFFAOYSA-N
-rxn:5:189210:227818:223142,CCC(C)c1cccc(-c2cccc(-c3ccc(C4CCCNC4)nc3)c2C(=O)ON2C(=O)CCC2=O)c1,DIZHRQGTTHMGIT-UHFFFAOYSA-N
-rxn:5:189210:227909:226174,CCC(C)c1cc(-c2cccc(-c3ccc(C4CCCCC4)nc3)c2C(=O)ON2C(=O)CCC2=O)ccn1,GAAWGVPALMBGEP-UHFFFAOYSA-N
-rxn:5:189210:228677:223141,CC(C)Cn1cc(-c2cccc(-c3cncc(C4CCNCC4)c3)c2C(=O)ON2C(=O)CCC2=O)cn1,ZIHGRWUITCXQNL-UHFFFAOYSA-N
-rxn:5:189210:228677:223142,CC(C)Cn1cc(-c2cccc(-c3ccc(C4CCCNC4)nc3)c2C(=O)ON2C(=O)CCC2=O)cn1,DKZINCHXHJRFTG-UHFFFAOYSA-N
-rxn:5:189212:225623:227937,CC(C)Sc1cccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cccc(OC3CCOCC3)c2)c1,RMBVZIPQVTZGEA-UHFFFAOYSA-N
-rxn:5:189212:227910:223139,CCC(C)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(C3CCNCC3)nc2)cn1,YNKQMSAGXOLQFD-UHFFFAOYSA-N
-rxn:5:189319:226593:225631,CC(C)Oc1ccc(F)c(-c2ccc(-c3ccc(N4CCN(C)CC4)cc3)nc2C(=O)OC(C)(C)C)c1F,GOLIHOVHFJPJHV-UHFFFAOYSA-N
-rxn:5:189322:222980:226137,CC(C)c1ncc(C2CC2)cc1-c1ncc(-c2ccc(CN3CCNCC3)cc2)cc1C(=O)OC(C)(C)C,UVRCQPRYUPIICZ-UHFFFAOYSA-N
-rxn:5:189448:227519:222990,COC(=O)c1cc(C)c(-c2ccc(C(=O)N3CC(OC)C3)cc2-c2ccc(N3CCC(O)CC3)cc2)cn1,DJLCEXWGZIRXPY-UHFFFAOYSA-N
-rxn:5:189662:226959:225633,CC1(C)Cc2cc(-c3cnc(-c4ccc(N5CCCCCC5)nc4)c(OCC4CCOCC4)c3)ccc2O1,BDGPQLOOHNEINW-UHFFFAOYSA-N
-rxn:5:189671:226064:226064,CC(C)(C)S(=O)/N=C/c1c(-c2ccc(C3CCCCC3)cc2)cccc1-c1ccc(C2CCCCC2)cc1,YTGBKUYDQOFEKT-YRRMYEEHSA-N
-rxn:5:189673:225507:226911,CCc1cc(C)cc(CC)c1-c1cc(-c2ccc3c(c2)CCC3C(=O)OC)ccc1/C=N/S(=O)C(C)(C)C,NQLLRBRPGDFHLJ-QXUDOOCXSA-N
-rxn:5:189675:225440:226067,CC(C)(C)S(=O)/N=C/c1cc(-c2ccc(C3=CCCCC3)cc2)ccc1-c1ccc(C2(C#N)CCCC2)cc1,ZNDXNLZILZASKA-HWLOXFRGSA-N
-rxn:5:189718:223173:223135,O=[N+]([O-])c1cc(-c2cccnc2C2CCCNC2)c(-c2ccc3c(c2)C(O)CS3(=O)=O)cc1OC1CCOCC1,YSFTVPHEMGJTDU-UHFFFAOYSA-N
-rxn:5:189718:227968:223006,O=[N+]([O-])c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2cnccc2C2CCC2)cc1OC1CCOCC1,PKILNJNRVWXAMM-UHFFFAOYSA-N
-rxn:5:189826:226794:225597,O=C(Cc1ccc(-c2ccc(OC3CCCCC3)nc2)cc1-c1cnc(N2CCSCC2)nc1)N1CCOCC1,NHXIDEBUICRVBL-UHFFFAOYSA-N
-rxn:5:189829:226591:227801,COc1c(-c2ccc(OC(C)C)c(F)c2F)cc(C(=O)N2CCCC2)cc1-c1c(C(F)(F)F)ccnc1F,QAYKKCRHLCSQND-UHFFFAOYSA-N
-rxn:5:189829:228308:225976,CCOc1ncc(-c2cc(C(=O)N3CCCC3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC)c(C)n1,JYJMBWCUCHTQDH-UHFFFAOYSA-N
-rxn:5:189909:222958:227520,Cc1ccc(-c2ccc(-c3cnc(OC(C)C)cc3F)cc2CCN2CCOCC2)cc1C1CCNCC1,YOKIXIRCXVAKCW-UHFFFAOYSA-N
-rxn:5:189952:223006:226645,COc1c(-c2ccnc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc(F)c(C2CCNCC2)c1,IUBVJTKQZSJPIQ-UHFFFAOYSA-N
-rxn:5:189952:226658:228693,CCN(C)c1ccc(-c2cc(C(=O)N3CCOCC3)cc(-c3ccc(N4CCCC4)nc3F)c2OC)s1,DRWIPIVFEPNYJR-UHFFFAOYSA-N
-rxn:5:190000:226749:227786,COc1cccc(C(F)(F)F)c1-c1cc(-c2cnc(F)c(C(F)(F)F)c2)ccc1CC(=O)N1CCCCC1,ACMIANUNNFCMSB-UHFFFAOYSA-N
-rxn:5:190001:225435:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccccc2CN2CCCCC2)cc1,WOZFPJWOLAIHHZ-UHFFFAOYSA-N
-rxn:5:190001:228469:226836,Cc1ncc([N+](=O)[O-])cc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cn(C(C)C)nc1C(F)(F)F,BLVXOMUOMJOMKI-UHFFFAOYSA-N
-rxn:5:190127:225817:227069,COc1ccc(-c2ccc(-c3ccc(C(F)(F)F)c(C4CC4)c3)cc2C(=O)N2CCC(OC)CC2)c(C(C)C)c1,LWZWYQWMTJJNTO-UHFFFAOYSA-N
-rxn:5:190127:226610:223142,CCc1cc(-c2ccc(-c3ccc(C4CCCNC4)nc3)c(C(=O)N3CCC(OC)CC3)c2)cc(C(F)(F)F)c1,JLNXOLFNHNABNS-UHFFFAOYSA-N
-rxn:5:190127:228512:225453,CC#Cc1cccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)c(C(=O)N3CCC(OC)CC3)c2)c1,KEWDVRFNFZDPAP-UHFFFAOYSA-N
-rxn:5:190128:225849:227662,COC1CCN(C(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)c(-c3ccc(C)cc3C(F)(F)F)c2)CC1,QYGKOCFERUOHAW-UHFFFAOYSA-N
-rxn:5:190131:226371:228134,CCOc1ccc(-c2cc(C(=O)N3CCCCC3)cc(-c3cnc(N4CCCC4)cc3C)c2OC)c(C)n1,SRLHXLSWOOLFCO-UHFFFAOYSA-N
-rxn:5:190194:225602:225886,COC1CCN(Cc2cccc(-c3cc(C4(C#N)CCC4)ccc3F)c2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,JNEQNHXPISWIFG-UHFFFAOYSA-N
-rxn:5:190194:227710:226685,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2cnc(C3CCOCC3)nc2)CC1,BCRBGPPSXCRMNO-UHFFFAOYSA-N
-rxn:5:190195:223113:225976,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccnc(N3CCOCC3)c2F)c1)C1CCOCC1,CDYVDLIGDLQEND-UHFFFAOYSA-N
-rxn:5:190197:226060:227707,CN(Cc1ccc(-c2ccccc2OC(F)(F)F)cc1-c1cc(C2CC2)cc(C2CC2)c1)C1CCOCC1,FKHMNXOJXUXBCN-UHFFFAOYSA-N
-rxn:5:190198:227750:226148,CN(Cc1c(-c2cccc(C#C[Si](C)(C)C)c2)cccc1-c1cccc(F)c1C(F)(F)F)C1CCOCC1,XJGZVAVMGFWOJF-UHFFFAOYSA-N
-rxn:5:190199:222417:225655,CC1CCN(c2cncc(-c3ccc(-c4cnc(=O)[nH]c4C(C)C)c(CN(C)C4CCOCC4)c3)c2)CC1,BRGQLZHDUPVOST-UHFFFAOYSA-N
-rxn:5:190199:226645:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccnc(N2CCOCC2)c1)C1CCOCC1,SETCZWKIJJIEJX-UHFFFAOYSA-N
-rxn:5:190200:226427:226662,CC1CCN(c2csc(-c3cc(CN(C)C4CCOCC4)cc(-c4ccc(N5CCN(C)CC5)s4)c3)c2)CC1,ULFOYDVCNHPTRW-UHFFFAOYSA-N
-rxn:5:190201:223294:227710,CC1CN(CCc2cc(-c3csc(N4CCNCC4)n3)ccc2-c2ccc(OS(C)(=O)=O)cc2)CCO1,QUWNLKAPTYKXHL-UHFFFAOYSA-N
-rxn:5:190201:225978:222417,CC1CN(CCc2cc(-c3ccc(N4CCOCC4)nc3F)ccc2-c2cnc(=O)[nH]c2C(C)C)CCO1,KUQSQAHVOOTAIB-UHFFFAOYSA-N
-rxn:5:190201:227710:223294,CC1CN(CCc2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2-c2csc(N3CCNCC3)n2)CCO1,XHMVICNBQZZBHD-UHFFFAOYSA-N
-rxn:5:190231:223353:226836,COc1c(-c2cccc(NC(C)=O)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cn(C(C)C)nc1C(F)(F)F,AKTIAEOFULVOKI-UHFFFAOYSA-N
-rxn:5:190231:227826:227437,COc1c(-c2cccc(C(C)(C)C)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccnc(C2CCCO2)c1,BRWCWWBYVNHAAR-UHFFFAOYSA-N
-rxn:5:190231:228111:227166,COc1c(-c2ccc(C#N)c(C#N)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc2c(c1)OCCN2C,IQPLXYUBBDFTLN-UHFFFAOYSA-N
-rxn:5:190309:225886:225439,CC1CCCCN1CCc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)ccc1-c1cccc(C(C)N2CCCC2)c1,ZNJWGNFVYBRPSO-UHFFFAOYSA-N
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-rxn:5:190336:227045:227076,CCC(C)c1ccc(F)c(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cccc(SC(C)(C)C)c3)c2OC)c1,HIQFFJLLPQIDCN-UHFFFAOYSA-N
-rxn:5:190336:227939:227282,COc1c(-c2ccccc2C(C)OC)cc(C(=O)N2CCCC(C)C2)cc1-c1cc(C#N)cnc1C(C)C,ZIPHRAQZBAGFBN-UHFFFAOYSA-N
-rxn:5:190336:228567:227124,CCC(C)c1sccc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2ccc(C(C)(C)C)cc2F)c1OC,INPXCNPNFCQDJP-UHFFFAOYSA-N
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-rxn:5:190484:227525:227978,CCc1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)C)ccc3F)S(=O)(=O)CC2)c1,YYTHEVZTWPMUSX-UHFFFAOYSA-N
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-rxn:5:190742:225834:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccnc(N2CCOCC2)c1F,LHYJOVWGHRLLKP-UHFFFAOYSA-N
-rxn:5:190742:225982:223065,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccc(N2CCNCC2)cc1F,MOXRTPLDECZCCF-UHFFFAOYSA-N
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-rxn:5:190833:226974:228151,COC(=O)c1cccc(-c2ccc(-c3ccc4c(c3)COC4(C)C)c3c2CN(C(=O)OC(C)(C)C)C3=O)c1,VDIVYENKIDUNLV-UHFFFAOYSA-N
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-rxn:5:190859:226915:227045,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C3CCCC3)cc1)c2-c1cccc(SC(C)(C)C)c1,XBQJVBQOENPJJV-UHFFFAOYSA-N
-rxn:5:190859:226915:227047,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C3CCCC3)cc1)c2-c1cccc(SC2CCC2)c1,BNZUQJLBCPZBQT-UHFFFAOYSA-N
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-rxn:5:190859:227371:227518,COc1ccc(-c2c(-c3ccc(C)c(OC)c3OC)ccc3c2CCN3C(=O)OC(C)(C)C)c(F)c1C#N,GTEZTGBWZDPWGQ-UHFFFAOYSA-N
-rxn:5:190998:226579:227992,COC(=O)c1cc(-c2ccc(C3COC3)cc2)ccc1N1Cc2cc(-c3cc(F)cc(C(=O)N(C)C)c3)ccc2OCC1=O,PTHCRGZSSQZMTF-UHFFFAOYSA-N
-rxn:5:190998:228583:225833,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1N1Cc2cc(-c3ccnc(C(C)C)c3)ccc2OCC1=O,DGGQTVTWCAZCFU-UHFFFAOYSA-N
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-rxn:5:191026:227906:227591,CCC(C)c1ncccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(F)F)cc3OC)c1)C=C(C(=O)OC)S2(=O)=O,BAKZVWUNRPFIFF-UHFFFAOYSA-N
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-rxn:5:191049:228206:223105,CNS(=O)(=O)c1cc(-c2cc(OC)c(N3Cc4cc(-c5cc(F)cc(N(C)C)c5)ccc4OCC3=O)cc2OC)c(F)cc1C,ORUMPEHVXMTCOM-UHFFFAOYSA-N
-rxn:5:191049:228308:223006,CCOc1ncc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(F)c(C5CCNCC5)c4)cc2OC)C(=O)CO3)c(C)n1,FRNXTNOMGRUFMR-UHFFFAOYSA-N
-rxn:5:191049:228332:222980,COc1cc(SC)c(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(CN5CCNCC5)cc4)cc2OC)C(=O)CO3)cn1,LERWBTBTSHNJQK-UHFFFAOYSA-N
-rxn:5:191049:228867:223063,CCc1nc(OC)c(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cc(F)nc(C5CCNCC5)c4)cc2OC)C(=O)CO3)s1,CIOGKGLXJMAQST-UHFFFAOYSA-N
-rxn:5:192235:225514:223063,COc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2cc(F)nc(C3CCNCC3)c2)cc1S(N)(=O)=O,UIURUMBUPOFDHU-UHFFFAOYSA-N
-rxn:5:192236:225498:225794,COc1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)cc1-c1cc(C2CCCCC2)ccc1F,FSOLDBQBEODTQA-UHFFFAOYSA-N
-rxn:5:192236:225499:225794,COc1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)cc1-c1ccc(C2CCCCC2)cc1F,PSDLGAOAMONFCQ-UHFFFAOYSA-N
-rxn:5:192236:225805:226649,COc1cc(-c2cccnc2N2CCOCC2)c(S(N)(=O)=O)cc1-c1ccc(C(C)N2CCOCC2)s1,WTLQIXWHYKVJQJ-UHFFFAOYSA-N
-rxn:5:192560:225576:223006,N#Cc1cc(-c2ccc(-c3ccc(F)c(C4CCNCC4)c3)c(C(=O)N3CCC3)c2)ccc1N1CCCC1,HLLFFXAQZCVQAR-UHFFFAOYSA-N
-rxn:5:193226:225834:227387,O=C(c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2ccnc(N3CCCC3)c2)c1)N1CCOCC1,KIEDYQFPGRLPGW-UHFFFAOYSA-N
-rxn:5:193226:227316:223065,CC(C)Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2-c2ccc(N3CCNCC3)cc2F)cc(F)n1,OIHOWBBEDFCTGI-UHFFFAOYSA-N
-rxn:5:193228:226661:227301,CN(C)Cc1cc(F)ccc1-c1cc(C(=O)N2CCSCC2)cc(-c2cc(N3CCN(C)CC3)cs2)c1,HIYGEGNNRRQUCE-UHFFFAOYSA-N
-rxn:5:193228:226662:227292,CN(C)Cc1cc(-c2cc(C(=O)N3CCSCC3)cc(-c3ccc(N4CCN(C)CC4)s3)c2)ccc1F,FPVUVVHYUKCMDJ-UHFFFAOYSA-N
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-rxn:5:193230:223062:225590,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(CN2CCCC2)c(F)c1)N1CCOCC1,WAWPYQULELYCLV-UHFFFAOYSA-N
-rxn:5:193230:225976:225784,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(CN2CCOCC2)nc1)N1CCOCC1,GEDLEJUKIKIBOG-UHFFFAOYSA-N
-rxn:5:193230:225976:226645,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,RCSVEXLLEXXTTD-UHFFFAOYSA-N
-rxn:5:193331:223113:225655,CC1CCN(c2cncc(-c3cc(-c4ccc5c(c4)C(C)(C)C(=O)N5)ccc3CN3CCOCC3)c2)CC1,PWGSGMPXUSOUQQ-UHFFFAOYSA-N
-rxn:5:193335:223186:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(-c2cnn(C3CCCCO3)c2)c1CN1CCOCC1,VNRLUIWLSPWLOI-UHFFFAOYSA-N
-rxn:5:193336:223136:226686,Cc1cnn(C2CCCCO2)c1-c1c(CN2CCOCC2)cccc1-c1ccncc1C1CCCNC1,UYKZCBHXVJQEFD-UHFFFAOYSA-N
-rxn:5:193382:223054:228965,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])nc3)c2)s1)N1CCC(O)C1,MVAMVALOOMPNMS-UHFFFAOYSA-N
-rxn:5:193382:223139:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(C3CCNCC3)nc2)ccc1S(=O)(=O)N1CCOCC1,LYLMJVYMFRLBPO-UHFFFAOYSA-N
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-rxn:5:193382:225986:226446,Cc1nc(C2CCOC2)ccc1-c1cc(-c2ccccc2N2CCCS2(=O)=O)ccc1S(=O)(=O)N1CCOCC1,QSTCTBMZKXRIMR-UHFFFAOYSA-N
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-rxn:5:193382:226661:226446,Cc1nc(C2CCOC2)ccc1-c1cc(-c2cc(N3CCN(C)CC3)cs2)ccc1S(=O)(=O)N1CCOCC1,HUEDWPHHLHNNTI-UHFFFAOYSA-N
-rxn:5:193382:226661:226457,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5CCOC5)c(F)c4)c3)c2)CC1,MNIGZIXTIYHMLI-UHFFFAOYSA-N
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-rxn:5:193506:227656:226662,CN1CCN(c2ccc(-c3cc(-c4cc(N5CCOCC5)cs4)ccc3S(=O)(=O)N3CCC(=O)CC3)s2)CC1,ALFHVBRZBQAKAC-UHFFFAOYSA-N
-rxn:5:193506:228677:226794,CC(C)Cn1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc(N4CCSCC4)nc3)c2)cn1,CKFRZCKHFPIRBD-UHFFFAOYSA-N
-rxn:5:193506:228692:223148,CN(C)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3C3CNCCO3)c2)s1,MQHPYTQIAOALBG-UHFFFAOYSA-N
-rxn:5:193541:226686:223146,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)cc(-c2cccc(C3CNCCO3)c2)c1,HNQPGCULDIUFNE-UHFFFAOYSA-N
-rxn:5:193598:223010:227682,CC1CN(C(=O)c2cc(-c3ccc(C4(O)CCOCC4)cc3)ccc2-c2cc(C#N)cc([N+](=O)[O-])c2)CCO1,UZCYAGBPLMCHMA-UHFFFAOYSA-N
-rxn:5:193681:225798:227710,CN1CCC(Oc2cc(-c3ccc(OC4CCOCC4)nc3)ccc2-c2ccc(OS(C)(=O)=O)cc2)CC1,LKDKDFUFKSXPLW-UHFFFAOYSA-N
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-rxn:5:193681:227710:225803,CN1CCC(Oc2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2-c2ccnc(OC3CCOCC3)c2)CC1,YSMPMIISQFRUNL-UHFFFAOYSA-N
-rxn:5:193749:225602:225886,CC1CCCCN1C(=O)c1cc(-c2cc(C3(C#N)CCC3)ccc2F)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1,IXJKREGCDMDTIO-UHFFFAOYSA-N
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-rxn:5:193752:226052:227695,COc1cc(-c2cc(C(=O)N3CCCC(C)C3)ccc2-c2c(F)ccc(OC(F)(F)F)c2F)cc([N+](=O)[O-])c1,YGGILHZSHQGRLH-UHFFFAOYSA-N
-rxn:5:193755:225598:228419,CSc1cc(F)c(-c2c(C(=O)N3CCCC(C)C3)cccc2-c2cccc(CN3CCSCC3)c2)cc1F,LBDYRSIHJLPXSU-UHFFFAOYSA-N
-rxn:5:193866:228608:225824,COc1cc(C)ccc1-c1ccc(C2(N3CCC(=O)CC3)CC2)cc1-c1cc(C2CC2)cc(C(F)(F)F)c1,ZSVUGJSKZWOXEV-UHFFFAOYSA-N
-rxn:5:193868:223183:227036,CNS(=O)(=O)c1ccc(-c2ccc(-c3cc(C4CC4)ccc3C#N)c(C(=O)N3CC(C)OC(C)C3)c2)c(C)c1,XFZXZIIXTJBFCJ-UHFFFAOYSA-N
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-rxn:5:193870:226422:225448,Cc1ccc(OC2CCCC2)c(-c2cc(-c3cc(F)ccc3N3CCCC3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,LKZQLOQLDNOPTL-UHFFFAOYSA-N
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-rxn:5:193870:228151:223138,COC(=O)c1cccc(-c2cc(-c3ccnc(C4CCNCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)c1,NAPSVSCFCZPUAJ-UHFFFAOYSA-N
-rxn:5:193871:225583:225605,Cc1cnc(OC2CCCC2)c(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cccc(C(=O)N3CCCC3)c2)c1,CAMYOLULTQLHAB-UHFFFAOYSA-N
-rxn:5:193871:225591:225833,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cc(CN3CCCC3)ccc2F)c1)N1CCC2(CC1)CC2,VBOVVMKHFFCTMM-UHFFFAOYSA-N
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-rxn:5:193871:225880:225591,O=C(c1ccc(-c2cc(CN3CCCC3)ccc2F)c(-c2cc(C3CCOCC3)ncc2F)c1)N1CCC2(CC1)CC2,MCQYMCZOWWTTHM-UHFFFAOYSA-N
-rxn:5:193871:226129:227413,O=C(c1ccc(-c2cnc(C3CCC3)cc2F)c(-c2cccc(CN3CCCC3)c2)c1)N1CCC2(CC1)CC2,NYQOILHBAIUCSH-UHFFFAOYSA-N
-rxn:5:193871:226333:226437,O=C(c1cccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cc(C3CCCC3)ncc2F)c1)N1CCC1,MUTXBLWTJQPQHW-UHFFFAOYSA-N
-rxn:5:193871:227948:225640,Cc1ncc(C2CC2)cc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1ccnc(N2CCCCC2C)c1,YFSHVFUKTFJNGG-UHFFFAOYSA-N
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-rxn:5:193967:229090:225617,CC(=O)c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc(OC4CCCCO4)cc3)c2)cs1,WLBSORGGAUJXOC-UHFFFAOYSA-N
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-rxn:5:194397:226686:225499,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C3CCCCC3)cc2F)ccc1C(=O)N1CC2CC2C1,GTSGEMAZEMWHDJ-UHFFFAOYSA-N
-rxn:5:194561:227303:225800,CN(C)Cc1cccc(-c2ccc(-c3ccc(C(=O)N4CCSC4)cc3)c(C(=O)N3C4CCC3COC4)c2)c1F,LKECMHOKGOXLLA-UHFFFAOYSA-N
-rxn:5:194767:225982:223065,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCOCC5)cc4F)ccc3-c3ccc(N4CCNCC4)cc3F)C2)c2ccccc21,WBVOZBGXJBMAOK-UHFFFAOYSA-N
-rxn:5:194782:228305:228323,CCOc1nccc(-c2ccc(-c3cnc(OC(C)C)cn3)cc2C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1F,ZYWKQBFRJBAVRL-UHFFFAOYSA-N
-rxn:5:194792:227866:226413,Cc1ccc2sc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(-c7cccc(N8CCOCC8)c7)cc6)C(=O)C45)cc3)cc2c1,MJKUGRMYWHKQGG-UHFFFAOYSA-N
-rxn:5:194792:228024:227708,Cn1ncc2cccc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(-c7ccc(OC(F)(F)F)cc7)cc6)C(=O)C45)cc3)c21,AXVSVVFMQYCSSS-UHFFFAOYSA-N
-rxn:5:194792:228708:228749,N#Cc1ccc(F)c(-c2ccc(N3C(=O)C4C(c5ccc(-c6cncnc6C6CC6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c1,OVFJTEYDUOHHSC-UHFFFAOYSA-N
-rxn:5:196408:226686:226652,Cc1cc(-c2ccc(C3=NOCCO3)c(-c3c(C)cnn3C3CCCCO3)c2)n(C2CCCCO2)n1,VOYAQUUGTSWLRZ-UHFFFAOYSA-N
-rxn:5:196789:225982:223064,O=C1COCCN1c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1ccc(C2CCNCC2)nc1F,PIAYGFZNCVDKCS-UHFFFAOYSA-N
-rxn:5:196791:225978:225655,CC1CCN(c2cncc(-c3c(-c4ccc(N5CCOCC5)nc4F)cccc3N3CCOCC3=O)c2)CC1,XMENXHKLKWWOMQ-UHFFFAOYSA-N
-rxn:5:196970:225810:225986,COc1ccc(-c2c(C3CCCCC3)ccnc2-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1,OKOIVUGYSCEKQP-UHFFFAOYSA-N
-rxn:5:196970:225832:226197,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccc(C2CCCOC2)cc1,ZRMXJGGCCUKTBP-UHFFFAOYSA-N
-rxn:5:197876:223183:228472,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)c1,PMKRGXQKAXEVMQ-UHFFFAOYSA-N
-rxn:5:197876:223191:227124,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,KRCGYJYIAKUADK-UHFFFAOYSA-N
-rxn:5:197876:223202:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4(O)CCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WFJWUUHCHPISHJ-UHFFFAOYSA-N
-rxn:5:197876:223421:225814,CNC(C)c1ccc(-c2cc3c(cc2-c2cccc(C4(C(F)(F)F)CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)s1,VAAREVXBDXKJIC-UHFFFAOYSA-N
-rxn:5:197876:225498:227587,COc1cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)c1OC,NTTHFRVURVJBAB-UHFFFAOYSA-N
-rxn:5:197876:225499:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,OTVKFFVCSPNERE-UHFFFAOYSA-N
-rxn:5:197876:225499:228737,COc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)n1,RHGZHXHDVNINNF-UHFFFAOYSA-N
-rxn:5:197876:225591:227069,COc1ccc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,XISBOKARAKTFSP-UHFFFAOYSA-N
-rxn:5:197876:225591:228610,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1,XUISVSZVDCYZKH-UHFFFAOYSA-N
-rxn:5:197876:225602:227956,Cc1cc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)n1,WEGIZWDGEVDZTG-UHFFFAOYSA-N
-rxn:5:197876:225603:227589,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GRGABGJKCVRQEZ-UHFFFAOYSA-N
-rxn:5:197876:225625:227819,CCc1cc(CC)cc(-c2cc3c(cc2-c2cc(OC4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JCIXVVQCFDFTIF-UHFFFAOYSA-N
-rxn:5:197876:225625:228792,CSc1ccc(-c2cc3c(cc2-c2cc(OC4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,OYIBSFWMEWYKNP-UHFFFAOYSA-N
-rxn:5:197876:225671:227937,CC(C)Sc1cccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XSRBDPRFNKEHIO-UHFFFAOYSA-N
-rxn:5:197876:225671:228178,COCc1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KOXJMSLOZFQSMF-UHFFFAOYSA-N
-rxn:5:197876:225671:228604,COc1cc(C)cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KAHGJKQAVVSSLM-UHFFFAOYSA-N
-rxn:5:197876:225815:227912,COC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CC4)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,JJOACWYPFNJAIX-UHFFFAOYSA-N
-rxn:5:197876:225815:229015,CC(C)c1sccc1-c1cc2c(cc1-c1ccc(C3CC3)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,NJJBRSWLNUVHEY-UHFFFAOYSA-N
-rxn:5:197876:225818:228624,CSc1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C2CC2)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C,GQHXCMXFZGAJJE-UHFFFAOYSA-N
-rxn:5:197876:225820:228567,CCC(C)c1sccc1-c1cc2c(cc1-c1c(C3CC3)cccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,XSMIYQHWMTYQDM-UHFFFAOYSA-N
-rxn:5:197876:225823:229013,CC(C)c1cc(-c2cc3c(cc2-c2sccc2C2CC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,MIUGWKITJCAIDH-UHFFFAOYSA-N
-rxn:5:197876:225824:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cc(C3CC3)cc(C(F)(F)F)c1)S(=O)(=O)N(C(C)(C)C)C2=O,NBIHMBPEKZKOKV-UHFFFAOYSA-N
-rxn:5:197876:225880:228565,CSCc1ccc(-c2cc3c(cc2-c2cc(C4CCOCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,VUKOOYINYGDTKX-UHFFFAOYSA-N
-rxn:5:197876:226031:226061,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,AOVKLEORFBUEAU-UHFFFAOYSA-N
-rxn:5:197876:226059:228434,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(C(F)F)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,UDHNLVVZWNMJKQ-UHFFFAOYSA-N
-rxn:5:197876:226067:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2ccc(C4=CCCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OOLSJJNTOZCMOG-UHFFFAOYSA-N
-rxn:5:197876:226068:227714,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(SC(F)(F)F)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,UXQXFMBFNWWBEA-UHFFFAOYSA-N
-rxn:5:197876:226069:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc(C4CCCCC4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IDDZYEAQICPTEA-UHFFFAOYSA-N
-rxn:5:197876:226137:228434,CC(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1ccc(C(F)F)c(F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,ZLSYIDNZZNBSSL-UHFFFAOYSA-N
-rxn:5:197876:226190:225469,CC1CCCN(c2ccc(-c3cc4c(cc3-c3ccc(C5CCCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)C1,HYQUYDALMSSBQO-UHFFFAOYSA-N
-rxn:5:197876:226190:227819,CCc1cc(CC)cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WXWHPGUEPCVJLE-UHFFFAOYSA-N
-rxn:5:197876:226190:227869,CC1Cc2cc(-c3cc4c(cc3-c3ccc(C5CCCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2O1,UBSDNESANBOYQN-UHFFFAOYSA-N
-rxn:5:197876:226320:227957,Cc1nc(C(C)C)ccc1-c1cc2c(cc1-c1cc(C3(C#N)CC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,IKPHTLQSHFHNRU-UHFFFAOYSA-N
-rxn:5:197876:226326:225639,CC1CCN(c2ncccc2-c2cc3c(cc2-c2cccc(C4(C#N)CC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)CC1,ZTFOBTPAHYTKIA-UHFFFAOYSA-N
-rxn:5:197876:226326:227827,Cc1ccc(C2CC2)cc1-c1cc2c(cc1-c1cccc(C3(C#N)CC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,ZZNXYIVDFYKOHW-UHFFFAOYSA-N
-rxn:5:197876:226331:226973,CC1(C)COc2ccc(-c3cc4c(cc3-c3ccc(C5(C#N)CC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc21,UGIGWBHXQFZZQO-UHFFFAOYSA-N
-rxn:5:197876:226428:228928,CC1CCCCN1c1csc(-c2cc3c(cc2-c2cccnc2C(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,KUGWZGVOTIGPKJ-UHFFFAOYSA-N
-rxn:5:197876:226441:227073,COc1cc(-c2cc3c(cc2-c2ccc(N4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,SFVUKXUAQDSGHW-UHFFFAOYSA-N
-rxn:5:197876:226450:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc(C4(C)OCCO4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AZQYCEQJKTVBTK-UHFFFAOYSA-N
-rxn:5:197876:226589:228009,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C3CC3)c(F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,FUJHWKQRYRMPNY-UHFFFAOYSA-N
-rxn:5:197876:226591:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(OC(C)C)c(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LKIFENYDZSCTIB-UHFFFAOYSA-N
-rxn:5:197876:226594:227832,Cc1cc(C2CC2)ccc1-c1cc2c(cc1-c1c(F)cc(OC(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,HUELPXCUPDHGCK-UHFFFAOYSA-N
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-rxn:5:197876:227108:226427,CC1CCN(c2csc(-c3cc4c(cc3-c3cc(C5CCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)c2)CC1,DHXNSPRAAXKBLQ-UHFFFAOYSA-N
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-rxn:4:183274:227639,Cc1nn(-c2cccs2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,UOEDIDTWAKRZQS-UHFFFAOYSA-N
-rxn:4:183274:227840,Cc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1C1CC1,GMPURRSVLQWXET-UHFFFAOYSA-N
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-rxn:4:183983:224609,Cc1ccc(-c2cnccc2C(=O)N(C(C)C)C(C)C)cc1CN(C(=O)OC(C)(C)C)C(C)C,AOCHIDNQTZVLQO-UHFFFAOYSA-N
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-rxn:4:184163:224365,CCCCOc1cc(-c2ccc(S(=O)(=O)N(C(C)=O)c3ccc(OC(C)=O)c4ccccc34)cc2)cc(C(F)(F)F)c1F,RTURVIKZDCDROZ-UHFFFAOYSA-N
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-rxn:4:184181:224703,CC(C)N(Cc1ccc(-c2cc(C3CCCC3)cc(C(F)(F)F)c2)c2ccccc12)C(=O)OC(C)(C)C,VJBAAHRADSMDSZ-UHFFFAOYSA-N
-rxn:4:184182:225305,COc1ccc(CCC(=O)N2C3CCC2CC(SC)C3)cc1-c1cnc(C2CCC2)c(C(F)(F)F)c1,FRKWGBYIGHHGOT-UHFFFAOYSA-N
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-rxn:4:184390:222678,COC(=O)Cc1ccc(C(F)F)c(-c2ccc(CNC(=O)OC(C)(C)C)c(F)c2)c1C#N,MLMNZXHDHQJDOX-UHFFFAOYSA-N
-rxn:4:184442:223892,COC(=O)Cc1c(C(F)(F)F)ccc(C#N)c1-c1ccc(OCCCN2CCN(C)CC2)cc1,IYCSIDKZRUXMJF-UHFFFAOYSA-N
-rxn:4:184537:223498,COC(=O)Cc1cc(C#N)c(OC)c(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c1,ZKACHONBYKSTKK-UHFFFAOYSA-N
-rxn:4:184585:222685,CCOC(=O)Cc1cc(-c2cc(NC(=O)OC(C)(C)C)c(F)cc2C)cc(C(F)(F)F)n1,KZNADSKXOLUDCB-UHFFFAOYSA-N
-rxn:4:184653:223952,CCOC(=O)Cc1cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)cc(C#N)c1C,QMAMIMMZHXMKQZ-UHFFFAOYSA-N
-rxn:4:184710:222466,CCOC(=O)C(C)(C)Sc1ccncc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,UQVVANJYEVCLIC-UHFFFAOYSA-N
-rxn:4:184745:222634,O=C(c1ccc(-c2ccc(OCCNC3CCCC3)c(F)c2)cc1OCC(F)F)N1CCC1(F)F,XCKITJVBYNXXMM-UHFFFAOYSA-N
-rxn:4:184775:222948,O=C(CCc1ccc(-c2cnc(N3CCC(O)CC3)nc2Cl)cc1)ON1C(=O)CCC1=O,VZGSDWDFGRCUHL-UHFFFAOYSA-N
-rxn:4:184843:225621,COC(=O)c1cc(OC2CCOC2)c(-c2ccc(OC3CCOC3)c(C)c2)cc1[N+](=O)[O-],MMMOJJCCVYSHFZ-UHFFFAOYSA-N
-rxn:4:184845:225052,COc1ccc(CC(=O)ON2C(=O)CCC2=O)cc1-c1cc(F)cc(N2CCCCC2C)c1,RBPGUFWGXXABFN-UHFFFAOYSA-N
-rxn:4:184888:225534,CCN(CC)Cc1ccc(-c2ccc(CN3CC(C(=O)OC)C3)cc2C(F)(F)F)cc1Cl,CKJXGJPREUGVQA-UHFFFAOYSA-N
-rxn:4:184890:222879,COC(=O)C1CN(Cc2cc(-c3c(Cl)cccc3NC(=O)C(C)(C)C)ccc2C(F)(F)F)C1,FJIRGCXXDXOKHL-UHFFFAOYSA-N
-rxn:4:184894:224824,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3cc(C4OCCO4)cc(C(F)(F)F)c3)c2)SC1=S,SSQDLVHJKZADDM-UHFFFAOYSA-N
-rxn:4:184966:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N(CC(F)(F)F)C(C)(C)C)cc1,RSZXKZMMBYMYGR-UHFFFAOYSA-N
-rxn:4:184980:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2cccc(C(=O)OCCN3CCCCC3)c2)c1,DHZSIFIELSQTKS-UHFFFAOYSA-N
-rxn:4:185067:227445,FC(F)(F)COc1c(CN2CCC(F)(F)CC2)cccc1-c1cnc(Cl)c(C2CCC2)c1,NQRWDLBEHQVORD-UHFFFAOYSA-N
-rxn:4:185079:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)cc1,OFIQVNFEVVZAKA-UHFFFAOYSA-N
-rxn:4:185087:222539,COc1ccc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c(C(=O)N(C(C)C)C(C)C)c1,MRXFCHMQFKRQSW-UHFFFAOYSA-N
-rxn:4:185102:226891,CC(C)CN(C(=O)c1ccc(-c2cc(C(F)(F)F)cc(F)c2F)o1)C1CCS(=O)(=O)C1,WVTGLWOHKPTSGB-UHFFFAOYSA-N
-rxn:4:185107:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnc(S(=O)(=O)C(C)C)c(C(=O)OC(C)(C)C)c2)cc1F,SVESGFZPMPZENN-UHFFFAOYSA-N
-rxn:4:185107:224276,CC(C)S(=O)(=O)c1ncc(-c2cn(C(=O)OC(C)(C)C)c3cccnc23)cc1C(=O)OC(C)(C)C,JOBJWWYEOAVGJD-UHFFFAOYSA-N
-rxn:4:185107:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cnc(S(=O)(=O)C(C)C)c(C(=O)OC(C)(C)C)c1,YMLXUNJWFQNEIX-UHFFFAOYSA-N
-rxn:4:185107:225303,CC(C)S(=O)(=O)c1ncc(-c2cc(C(C)(C)C)nc(C(F)(F)F)c2)cc1C(=O)OC(C)(C)C,GKYFXPVJUBQDSW-UHFFFAOYSA-N
-rxn:4:185107:225816,CC(C)S(=O)(=O)c1ncc(-c2cc(C3CC3)ccc2C(F)(F)F)cc1C(=O)OC(C)(C)C,PCWJZUAOZMDLLQ-UHFFFAOYSA-N
-rxn:4:185114:228447,O=C(CS(=O)(=O)c1ccc(-c2cccc(C(F)F)c2F)cc1)N1CCC(C(F)(F)F)CC1,AAKFNNGSZUSCEX-UHFFFAOYSA-N
-rxn:4:185118:227774,O=C(CS(=O)(=O)c1cccc(-c2cc(Cl)ncc2C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1,WCJZQTSJEXVEAE-UHFFFAOYSA-N
-rxn:4:185130:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(CC3CN(C(=O)OC(C)(C)C)C3)c2)cc1,RQWJUDDTMVVDFZ-UHFFFAOYSA-N
-rxn:4:185134:223867,COC(=O)C1CCN(CCc2ccc(-c3cccc(OCCCN4CCC(C)CC4)c3)cc2)CC1,IMUUQEMMGNXKFL-UHFFFAOYSA-N
-rxn:4:185145:222723,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2)C1,YJEGYXKTUSDQHL-UHFFFAOYSA-N
-rxn:4:185146:224769,COc1cc(C(=O)N2CCOCC2)c(-c2ccc(N3CCCC3)cc2C(F)(F)F)c(OC)c1OC,GFDJSEAAHDCJET-UHFFFAOYSA-N
-rxn:4:185179:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc(CN(C(=O)c3ccc(F)cc3)C3CCS(=O)(=O)C3)o2)c1,FIKKINUZMDIBAX-XGLRFROISA-N
-rxn:4:185241:225369,COC(=O)c1cc(-c2cccc(CN3CCCCC3)c2OCC2CC2)c(Cl)c([N+](=O)[O-])c1,HSWFMRAXIHEBLU-UHFFFAOYSA-N
-rxn:4:185243:222519,CC(C)CN(C(=O)c1ccc(-c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1)C1CCS(=O)(=O)C1,NNKVJJMGFIGQSD-UHFFFAOYSA-N
-rxn:4:185244:226589,CC(C)CN(C(=O)c1cccc(-c2cc(C(F)F)ncc2C(C)C)c1)C1CCS(=O)(=O)C1,KVLORGSCRAJFKU-UHFFFAOYSA-N
-rxn:4:185252:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(OCc4ccccc4)c(C(=O)N4CCOCC4)c3)cc2)C1,YLBCZCKHARRXBX-UHFFFAOYSA-N
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-rxn:4:190330:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1ccc(C2CCCN2S(=O)(=O)C(C)C)cc1,VVCRSKNRNFIIMP-UHFFFAOYSA-N
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-rxn:4:190374:222943,COc1ccc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1S(=O)(=O)N1CCCCC1C,BFRRGBKKVSEQQX-UHFFFAOYSA-N
-rxn:4:190383:224806,CC(C)C(=O)C1CCCN(c2ccccc2-c2ccc(S(=O)(=O)N(C)C3CC3)cc2F)C1=O,ZVRKMIIQMQRJPH-UHFFFAOYSA-N
-rxn:4:190388:224588,CC1CCN(Cc2cc(F)cc(-c3ccc(C4CCN(S(=O)(=O)C5CC5)CC4)cc3)c2)CC1,PHTARTHYJKRPRU-UHFFFAOYSA-N
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-rxn:4:190413:224615,COc1ccc(-c2cccc(OCCN3CCOCC3)c2)c(C(=O)N2CCC(=C3CC3)CC2)c1,SCVMGXLWOYKCKD-UHFFFAOYSA-N
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-rxn:4:190826:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)C2)C(C)C,LIINMAMXPOEIEJ-UHFFFAOYSA-N
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-rxn:4:190865:224420,Cc1cc2c(cc1-c1ccc3c(c1)C(=O)C(=O)N3CC(=O)C(C)(C)C)C(C)(C)CCC2(C)C,UEQQCKAMHPRUCX-UHFFFAOYSA-N
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-rxn:4:190905:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2F)N(C(=O)OC(C)(C)C)CCO3)cc1,GIBVDHJJEJEFKD-UHFFFAOYSA-N
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-rxn:4:190928:224930,CCN(CC)Cc1cc(-c2cc(C(=O)OC)cc3c2N(C(C)C)CCC3=O)ccc1OC,YKQHRMRGILYRBW-UHFFFAOYSA-N
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-rxn:4:190972:224570,CC(c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)cc1)N1CCN(C)CC1,ARRPAAQJVVNYCW-UHFFFAOYSA-N
-rxn:4:191008:222906,CC(C)(C)OC(=O)Nc1ccncc1-c1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)C2(C)C,IUYADWCWFIHGPZ-UHFFFAOYSA-N
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-rxn:4:191017:222426,CCOc1cccc2c1OCC(=O)N(c1ccccc1-c1ccc3c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N3)C2,UARNNGMUEIBCIJ-UHFFFAOYSA-N
-rxn:4:191017:222584,CCOc1cccc2c1OCC(=O)N(c1ccccc1-c1ccc(OCCCN3CCNCC3)c(F)c1)C2,MWUGTSWCRINXAC-UHFFFAOYSA-N
-rxn:4:191034:222675,COc1cc(-c2ccc3c(c2)CCCN(C(=O)OC(C)(C)C)C3)ccc1NC(=O)OC(C)(C)C,RSCPZMXJNIHZTO-UHFFFAOYSA-N
-rxn:4:191037:222468,Cc1cc2c(c(-c3ccc4cc(NC(=O)OC(C)(C)C)ccc4c3)c1)CN(C(=O)OC(C)(C)C)CC2,UZTBDIKYPGJXAW-UHFFFAOYSA-N
-rxn:4:191041:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4C5CCC4CC(S(C)(=O)=O)C5)c3)c3ccccc23)CC1,BBDQYOSQTUNCPR-UHFFFAOYSA-N
-rxn:4:191041:224773,Cc1cc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)ccc1S(=O)(=O)N1CCCC1,KXJGOAXKWCTNKF-UHFFFAOYSA-N
-rxn:4:191058:224730,COC(=O)C1CCN(C2CCc3cc(-c4cc(C(F)(F)F)ccc4OCC(C)C)ccc32)CC1,UYUQNHVGRVKIRQ-UHFFFAOYSA-N
-rxn:4:191062:223200,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(C2CCNC2)cc1,SKZMAVABQYAAQZ-UHFFFAOYSA-N
-rxn:4:191062:224662,CN1CCN(Cc2ccc(F)cc2-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)CC1,CNXFITGQITZVAL-UHFFFAOYSA-N
-rxn:4:191062:225620,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(OC2CCOCC2)cc1,JOZCHFISAULJDL-UHFFFAOYSA-N
-rxn:4:191062:225634,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cnc1N1CCCCC1,UNLKGMBYWPTMLK-UHFFFAOYSA-N
-rxn:4:191062:226447,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccnc(C2CCOCC2)c1,HKTLCLIWDHTGCT-UHFFFAOYSA-N
-rxn:4:191063:222412,CNC(=O)Nc1ccc(-c2ccc3c(c2)OC2(CC3=O)CN(C(=O)OC(C)(C)C)C2)cc1,JHEGYBFTZQCRTA-UHFFFAOYSA-N
-rxn:4:191089:222782,Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cnc1NC(=O)OC(C)(C)C,NONZAQOMBDNSJC-UHFFFAOYSA-N
-rxn:4:191092:225281,CC(C)(C)OC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)cc(Cl)n1,XELCBVMEAJIGKT-UHFFFAOYSA-N
-rxn:4:191092:225718,COC(COc1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)c1)OC,NFQXKGKANCLXSC-UHFFFAOYSA-N
-rxn:4:191099:228862,CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(-c3cnn(CCC#N)c3)cc1C2=O,ORRILTZTIHYVGU-UHFFFAOYSA-N
-rxn:4:191125:227562,COc1ccc(F)c(-c2ccc3c(c2)CCC32CCN(C(=O)OC(C)(C)C)CC2)c1OC,YOGQCFIHQZNZIZ-UHFFFAOYSA-N
-rxn:4:191126:223814,CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)ccc1O2,IIQVBSVOZLACJF-UHFFFAOYSA-N
-rxn:4:191129:227007,CC(C)OCc1cccc(-c2ccc3c(c2)CCC2(CCN(C(=O)OC(C)(C)C)CC2)O3)c1,TYVWDKRHTKPXML-UHFFFAOYSA-N
-rxn:4:191173:223114,CCCNC(=O)c1cccc(-c2cccc(C(=O)Oc3cc4c5c(c3)C(C)=CC(C)(C)N5C(=O)C4=O)c2)c1,WPXPICNCJXPRHQ-UHFFFAOYSA-N
-rxn:4:191178:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CC2CCCO2)cc1,VKGGFFZMRADNLW-UHFFFAOYSA-N
-rxn:4:191195:228511,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc(C3CC3)cc1)c1c2CCC1,WNVJCMVYCCIHQL-UHFFFAOYSA-N
-rxn:4:191584:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(C(F)F)cc([N+](=O)[O-])c3)cc2F)CC1,UMRLXXDFAFORAT-UHFFFAOYSA-N
-rxn:4:192048:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cncc(C(=O)C3CC3)c2)CC1,BLXNWXSFJHNILS-UHFFFAOYSA-N
-rxn:4:192832:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnccc3-c3cccc(C(F)(F)F)c3)cc2)CC1,GRUBVHVGRSCMEJ-UHFFFAOYSA-N
-rxn:4:192960:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C2CCOC2)c(C(F)(F)F)n1,IDZWSETVJOZLPU-UHFFFAOYSA-N
-rxn:4:193298:224825,CON(C)C(=O)c1cc(-c2ccc(C(F)(F)F)c(N3CCC(F)(F)C3)c2)cc([N+](=O)[O-])c1,VXVPEZXDINHJSR-UHFFFAOYSA-N
-rxn:4:193497:222693,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1)N1CCS(=O)(=O)CC1,NFMVGLVGMSKIED-UHFFFAOYSA-N
-rxn:4:193503:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(S(C)(=O)=O)c(C2=NOCC2)c1C,HYHVKENWSJJVLX-UHFFFAOYSA-N
-rxn:4:193515:224835,Cc1cc(C(=O)N2CCC(F)(F)C2)c(F)c(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)c1,VPCIDXCYJVOQCJ-UHFFFAOYSA-N
-rxn:4:193575:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2CCCN2S(C)(=O)=O)cc1,GXBSTIGPXWBGJW-UHFFFAOYSA-N
-rxn:4:193627:222622,CCC(C)c1cc(-c2ccccc2S(=O)(=O)N2CCS(=O)(=O)CC2)cc(C2CCCNC2)n1,RPJNXMMOPGNQGU-UHFFFAOYSA-N
-rxn:4:193633:224835,Cc1ccc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCC(F)(F)C1,XQSGLVSJRHVQMG-UHFFFAOYSA-N
-rxn:4:193682:223712,COc1ccc(-c2cc(F)cc(C)c2CN2CCOCC2)cc1C12CC3CC(CC(C3)C1)C2,QKDFMUBZZRFYFV-UHFFFAOYSA-N
-rxn:4:193775:224421,CC(C)c1cc(C(C)C)c(-c2ccc(N3C(=O)C=CC3=O)c(C(C)(C)C)c2)c(C(C)C)c1,VKJDYNGYCXUYSK-UHFFFAOYSA-N
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-rxn:4:204148:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCC(C)C2)c(N2CCCC2)c1,RNALWLSEYBCFIY-UHFFFAOYSA-N
-rxn:4:204161:223788,Cc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(OC5CN(C(=O)OC(C)(C)C)C5)cc4)cc3)=NC23CCCC3)cc1,ZKRIWFBIXIXIHC-UHFFFAOYSA-N
-rxn:4:204168:222699,CC1CCN(Cc2ccc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)cc2N2CCOCC2)CC1,BKLVOAFGLJRQGE-UHFFFAOYSA-N
-rxn:4:204171:226174,CC1CCCN(Cc2ccc(-c3ccc(C4CCCCC4)nc3)cc2N2CCCCC2)C1,FUYYYGADJLOQEF-UHFFFAOYSA-N
-rxn:4:204255:223540,CCOC(=O)c1cnc2[nH]cc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)c2c1,OFSDCBRLFXQYOV-UHFFFAOYSA-N
-rxn:4:204360:223542,CCOC(=O)c1nn2c(c1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c1)OCC(F)(F)C2,NLEAIJRASZQDTQ-UHFFFAOYSA-N
-rxn:4:204475:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3nc(Cl)cc4ccn(C(=O)OC(C)(C)C)c34)cc21,RKLIAYLTVJXQBY-UHFFFAOYSA-N
-rxn:4:204514:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1,DAKVBXNTPZFVMR-INIZCTEOSA-N
-rxn:4:204598:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(n2)CCCN3C(=O)OC(C)(C)C)cc1,SIWRNUWHOUMSNI-KRWDZBQOSA-N
-rxn:4:204691:225919,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccc(C(F)(F)F)cc3COC)ccc21,UTDRGIKQJBEYPM-UHFFFAOYSA-N
-rxn:4:204710:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnn4c3OC[C@@H](O[Si](C)(C)C(C)(C)C)C4)c(F)ncc21,ZTIRVQDNZJVGHN-NRFANRHFSA-N
-rxn:4:204723:227717,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(F)cc2OC(F)F)cc1,ZFHOLKWMMIYUHQ-UHFFFAOYSA-N
-rxn:4:204723:228293,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnn(CCN(C)C)c2)cc1,VDMBVBYIXXSBOV-UHFFFAOYSA-N
-rxn:4:204740:223887,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3c(C)c4ccccc4n3C(=O)OC(C)(C)C)ccc21,SDHSENXJTPLCFY-UHFFFAOYSA-N
-rxn:4:204753:223023,CN(C)C(=O)NCc1ccc(-c2ccc(N3C(=NC(=O)c4ccccc4)SC4CS(=O)(=O)CC43)cc2)cc1,CMZFRMYTARZJLV-UHFFFAOYSA-N
-rxn:4:204775:226713,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cc(OCCOC)ncc3F)ccc21,RCNWHRBPIKMXSY-UHFFFAOYSA-N
-rxn:4:204776:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4C(=O)N(c5cccc(C(F)(F)F)c5)C5CS(=O)(=O)CC54)cc3)c(F)ccc21,WFNGFVIPPNBLGA-UHFFFAOYSA-N
-rxn:4:204779:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(CN4C(=O)N(c5cc(F)ccc5F)S(=O)(=O)c5ccccc54)cc3)cnc21,KRDQNDNIRDENPQ-UHFFFAOYSA-N
-rxn:4:204779:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc(CN2C(=O)N(c3cc(F)ccc3F)S(=O)(=O)c3ccccc32)cc1,GYXVPCKOXKBXDR-UHFFFAOYSA-N
-rxn:4:204795:224359,CCN(CC)C(=O)c1cc(-c2ccc3oc(=O)c(C(=O)N4CCN(c5ccccc5F)CC4)cc3c2)cc([N+](=O)[O-])c1,IMHTVHOJMKTHOT-UHFFFAOYSA-N
-rxn:4:204797:222892,COc1cc(N2CCNCC2)ccc1-c1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1,NNGGKHNQCRBTJF-UHFFFAOYSA-N
-rxn:4:204800:224367,CC(C)COc1cc(-c2ccc(CN3CCN(C(C)C)CC3)c3ccccc23)ccc1OC(F)(F)F,RXQYXUYNGJZDDF-UHFFFAOYSA-N
-rxn:4:204852:224326,Cc1cc(-c2ccc(CN3C(=O)N(c4cccc(C)c4C)S(=O)(=O)c4ccccc43)cc2)ccc1S(=O)(=O)N1CCCCC1,VUVUPDIDGIERTO-UHFFFAOYSA-N
-rxn:4:204874:224350,O=C1C2C(c3ccc(-c4cnc(C5CCCCC5)c(C(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,NSODEXOPMMRDRF-UHFFFAOYSA-N
-rxn:4:205058:223492,Cc1cc(-c2cnn(C(F)(F)C(F)(F)F)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UZKFLYJUNKWZSO-UHFFFAOYSA-N
-rxn:4:206206:223995,CN1CCN(c2cc(-c3ncc(C(=O)N4CCC(F)CC4)s3)cc(C(F)(F)F)c2)CC1,SVLQNXONEHMYDQ-UHFFFAOYSA-N
-rxn:4:206260:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nc(C(=O)N3CCC(F)(F)C3)ccc2F)cc1,HEHWEJNQUXEJSB-UHFFFAOYSA-N
-rxn:4:206450:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnc(N3CCCC3)cc2C(F)(F)F)c1,HWRMVJYMXUOWIR-UHFFFAOYSA-N
-rxn:4:206502:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(F)c(CN4CCOCC4)c3)ccn2)CC1,LJSVFOKIHHKCEQ-UHFFFAOYSA-N
-rxn:4:206502:223743,Cc1ccc(-c2cnc(F)c(CN3CCOCC3)c2)cc1OCCCN1CCC(C)CC1,YDZLMZVPEVAKSY-UHFFFAOYSA-N
-rxn:4:206797:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C2CN(S(C)(=O)=O)CCO2)nc1,GHKJXHDRULMQCD-UHFFFAOYSA-N
-rxn:4:206874:223941,CN1CCN(C(=O)c2c(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)ccc(F)c2F)CC1,PWJSYWFEFJEBMT-UHFFFAOYSA-N
-rxn:4:206915:223834,Cc1cc(-c2cccnc2CN2CCC(C)CC2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,MRQKTPPKCWLCJV-UHFFFAOYSA-N
-rxn:4:206946:222522,COc1ccc(-c2cccc(C3CCCN(S(C)(=O)=O)C3)n2)cc1S(=O)(=O)N1CCC(O)CC1,MFDLXAOXHDRQKV-UHFFFAOYSA-N
-rxn:4:206970:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1F,OZWLLDQEZBKOPQ-UHFFFAOYSA-N
-rxn:4:206983:223867,CC1CCN(CCCOc2cccc(-c3cnc(N4CCC(C)CC4)cc3C(F)(F)F)c2)CC1,YXVHRCXRKRETHG-UHFFFAOYSA-N
-rxn:4:207020:222747,Cc1cc(F)c(C(=O)N2CCN(C)CC2)cc1-c1ccc(C(=O)NCC2CCCO2)cc1,MPWRVECLIMCRMT-UHFFFAOYSA-N
-rxn:4:207080:222405,O=C1NC(=O)C(c2cccc(-c3cncc(C(=O)N4CCC5(CC4)OCCCO5)c3)c2)N1,GVPXHXZDUHHHTR-UHFFFAOYSA-N
-rxn:4:207080:222950,CONS(=O)(=O)c1cc(-c2cncc(C(=O)N3CCC4(CC3)OCCCO4)c2)ccc1OC,DJUVPSUJTKEBLK-UHFFFAOYSA-N
-rxn:4:207081:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,FPUZHAXHAHCTKU-UHFFFAOYSA-N
-rxn:4:207090:224665,CC1CCN(C2CC(=O)N(c3ccc(-c4ccc(F)cc4CN4CCN(C)CC4)cc3)C2=O)CC1,URENWVICVVWAAT-UHFFFAOYSA-N
-rxn:4:207091:223809,O=C1CC(N2CCCCCC2)C(=O)N1c1ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cc1,ZRNJVSIZWLLHDK-UHFFFAOYSA-N
-rxn:4:207091:225090,CCOCc1cc(OC)c(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)c(OC)c1,QQCPFRWLVJRBDB-UHFFFAOYSA-N
-rxn:4:207463:223597,CCn1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c1C12CCSCC1O2,MUMOGPBRCRVVHG-UHFFFAOYSA-N
-rxn:4:207854:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,YVGRKTJAMDFTTI-UHFFFAOYSA-N
-rxn:4:207914:223588,Cc1cc(-c2ccc(-c3cn4c5c(sc4n3)CC(C(C)(C)C)CC5)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,YHNHJMKGYRUJAS-UHFFFAOYSA-N
-rxn:4:209561:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(N4CCOCC4=O)nc3)c2Cl)CC1,ZZNZBEONNFQRJD-UHFFFAOYSA-N
-rxn:4:209705:223498,Cc1cc(C)n(-c2c(F)c(F)c(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)c(F)c2F)n1,ZDNRFKBRDUSOOI-UHFFFAOYSA-N
-rxn:4:209876:223978,CN1CCN(c2cc(-c3ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c3)cc(F)c2F)CC1,VTNMTNLLXHPHGO-UHFFFAOYSA-N
-rxn:4:210650:223481,CC(C)n1ccc2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cnc21,PPQQWQRVCXXDMI-UHFFFAOYSA-N
-rxn:4:211032:222466,c1cc(N2CC3CCCCC3C2)ncc1-c1cc(C2CCCCC2)nc(C2CCNCC2)c1,YPVDIMXQBIQJNL-UHFFFAOYSA-N
-rxn:4:211101:226060,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CC5)cc(C5CC5)c4)ccc2OC32CCC(C)CC2)cc1,UKCWHFHZOIDXEE-UHFFFAOYSA-N
-rxn:4:212506:222432,COCCCN(C)c1ncc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)cc1[N+](=O)[O-],RIMOXZYCIBFGHA-UHFFFAOYSA-N
-rxn:4:212508:222678,CC(C)(C)OC(=O)NCc1ccc(-c2nc(C#N)cn2COCC[Si](C)(C)C)cc1F,DIUIFSNEEZMDRT-UHFFFAOYSA-N
-rxn:4:212559:224404,O=C(c1ccc([N+](=O)[O-])cc1)N1CCN=C1SCc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1,NNJHCRLTCLYXNW-UHFFFAOYSA-N
-rxn:4:212580:223639,O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CC(Cn2cc(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)cn2)C1,BPYKZPMTYDMGGN-UHFFFAOYSA-N
-rxn:4:212584:225553,CC(C)N(C)C(=O)c1ccc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C(C)C)cc1,MBOFJVJVXWBIIF-UHFFFAOYSA-N
-rxn:4:212623:225055,CC1CCCN(c2ccc(-c3cc(F)ccc3CC(=O)N3CCCC(COc4ncccn4)C3)c(Cl)c2)C1,NHQQCKWVOLZWRM-UHFFFAOYSA-N
-rxn:4:212626:222630,N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)CC2)c1,PUFNDZUWVCZGQP-UHFFFAOYSA-N
-rxn:4:212631:226712,COCCOc1ccc(-c2cncc(C(=O)N3CCC(COc4ncccc4C(F)(F)F)CC3)c2)c(F)n1,JIZKCTGLKZXWTH-UHFFFAOYSA-N
-rxn:4:212648:223279,Cn1cc(-c2cnc(C3CCCN3)nc2)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,LGXPCEWYBQPNBB-UHFFFAOYSA-N
-rxn:4:212727:224252,Cc1ccccc1-n1c(-c2ccc(-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)cc2)cnc1SCC(=O)N1CCCCC1,MKHTTYUDSJZLTL-UHFFFAOYSA-N
-rxn:4:212747:223683,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)C3)nc2)cc1N1CCOCC1,GITPDHJLBVUMTF-UHFFFAOYSA-N
-rxn:4:212750:223883,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1N1CCCCC1,NKNNANFXEVTLMQ-UHFFFAOYSA-N
-rxn:4:212778:223737,Cn1c(=NC(=O)CSCC(=O)N2CCCC2)sc2cc(-c3ccc(C(c4ccccc4)N4CCCC4)cc3)ccc21,SSYQCXMDHQVVMU-UHFFFAOYSA-N
-rxn:4:212827:223917,CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc3cc(-c4cc(F)cc(C(=O)N(C)C5CCCCC5)c4)ccc3[nH]2)CC1,AFHVDHSPOYVKBZ-UHFFFAOYSA-N
-rxn:4:212831:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3c(c2)C(c2ccccc2)N(CC(=O)OC)C(CN2CCOCC2)=N3)CC1,MLINHXNVTYJUBY-UHFFFAOYSA-N
-rxn:4:212839:222729,CCCc1cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc(C2CCCNC2)n1,XNKZETORKXXDCV-UHFFFAOYSA-N
-rxn:4:212848:224825,CON(C)C(=O)c1cc(-c2ccc3c4c(n(C(=O)OC(C)(C)C)c3n2)CCN(C(=O)OC(C)(C)C)C4)cc([N+](=O)[O-])c1,JBGIPFIKEDENRQ-UHFFFAOYSA-N
-rxn:4:212849:225183,O=C(c1ccccc1-c1ccc(OC2CCCCC2)nc1F)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1,DOQORFHWHQCCNU-UHFFFAOYSA-N
-rxn:4:212927:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(OCc4nc(C#N)c(N5CCOCC5)o4)cc3)cn2)CC1,LHBKNEHTNGTERO-UHFFFAOYSA-N
-rxn:4:212932:223636,COc1nccnc1OC1CCN(C(=O)c2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)o2)C1,ULHZUTAHHPTTMP-UHFFFAOYSA-N
-rxn:4:212936:222888,CC(=O)OCCN1CCN(c2ccc(-c3ccc(CN4CCNCC4)c(Cl)c3)cn2)CC1,XZALLHKFRXRIQU-UHFFFAOYSA-N
-rxn:4:212936:224666,CC(=O)OCCN1CCN(c2ccc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cn2)CC1,MGWWQWNWDJBICD-UHFFFAOYSA-N
-rxn:4:212936:224667,CC(=O)OCCN1CCN(c2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cn2)CC1,LFPWVIKTSNULSO-UHFFFAOYSA-N
-rxn:4:212936:225212,CC(=O)OCCN1CCN(c2ccc(-c3cc(F)cc(N4CCN(C)CC4)c3)cn2)CC1,PRASAKKIRKMXFH-UHFFFAOYSA-N
-rxn:4:212967:222634,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,CYNDNGOPMASTLX-UHFFFAOYSA-N
-rxn:4:212978:222740,COc1ccc(F)cc1S(=O)(=O)N1CC(Cn2cc(-c3cc(C(C)C)nc(C4CCCNC4)c3)cn2)C1,RXYSCFSNGFKVTB-UHFFFAOYSA-N
-rxn:4:212988:222721,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)n2)CC1,LRGBCQVYNTZIHA-UHFFFAOYSA-N
-rxn:4:212992:226289,COc1cccc(OC(C)C)c1-c1cnc(OCC2CCCN(S(=O)(=O)C3CC3)C2)nc1,NVEBUGDKNCJJBR-UHFFFAOYSA-N
-rxn:4:213005:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCC(Oc5ncc(OC)cn5)CC4)o3)c2)CC1,XGAAGJJAPKERSU-UHFFFAOYSA-N
-rxn:4:213039:223777,CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)n2)CC1,GGVGYWQXFNBGAU-UHFFFAOYSA-N
-rxn:4:213042:223598,CC(C)(C)OC(=O)N1CCCC(Oc2cnc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cn2)C1,RSXBQABGJRWWOA-UHFFFAOYSA-N
-rxn:4:213044:225357,CCOc1cc(-c2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(F)c(C(F)(F)F)c1,ICANUDFGOXVLCQ-UHFFFAOYSA-N
-rxn:4:213052:224065,CC1CCN(c2cc(-c3cnc(OCC4CCN(C(=O)C5CC(F)(F)C5)CC4)nc3)cc(C3CC3)c2)CC1,QICVBWUJHHJZMG-UHFFFAOYSA-N
-rxn:4:213066:227938,CCOc1c(C)cccc1-c1ccc(C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)o1,OFJAWJDUEKMOPC-UHFFFAOYSA-N
-rxn:4:213074:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3nccn3CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,BINOPNFXMXOAMT-UHFFFAOYSA-N
-rxn:4:213075:224830,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc(C(F)(F)F)nn3C3CCCCO3)n2)CC1,FDOWQGVFKIDTMN-UHFFFAOYSA-N
-rxn:4:213075:225977,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cc(Cl)cnc3N3CCOCC3)n2)CC1,WFTIYLWNKRSJIP-UHFFFAOYSA-N
-rxn:4:213076:222712,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3F)cn2)cc1,DQRZBWYCXRTFQB-UHFFFAOYSA-N
-rxn:4:213099:228762,CCn1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)ccc1=O,LRKZEIKFLGCSMW-UHFFFAOYSA-N
-rxn:4:213131:225172,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,YHKRRAQNFJYSRM-UHFFFAOYSA-N
-rxn:4:213132:225313,CN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)C)C4)nc3)c(F)n2)CC1,HRCXGMAGLFWSAT-UHFFFAOYSA-N
-rxn:4:213134:224672,CCN1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)C(C)(C)CC)CC4)nc3)c(Cl)c2)CC1,ZDHIZCUXQOSQIZ-UHFFFAOYSA-N
-rxn:4:213137:223799,CCOC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccc(C(F)(F)F)c(OCc2ccccc2)c1,YDIXHXASEMFGED-UHFFFAOYSA-N
-rxn:4:213153:225300,O=C(c1ccc(-c2ccc(OC3CCOCC3)nc2F)c([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1,YQGUCAIKAFRLDQ-UHFFFAOYSA-N
-rxn:4:213188:222694,O=C(c1ccccc1-c1cccc(S(=O)(=O)NC2CCCCC2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,GKRQGPFBCGGHMI-UHFFFAOYSA-N
-rxn:4:213202:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(COc2ccc(C)nn2)CC1,PTZLCSGSUNJJOH-UHFFFAOYSA-N
-rxn:4:213203:224904,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)C5CCCCC5)cc4)cc3)CC2)nn1,LNUGXKFAHKUQNP-UHFFFAOYSA-N
-rxn:4:213217:227227,CCN1CCN(c2ncc(-c3ccc(OCC4CC4)nc3)cc2C(=O)OC(C)(C)C)CC1,GKKZBWLYUFJHRP-UHFFFAOYSA-N
-rxn:4:213222:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(C(=O)N2CCN(Cc3nc(C(C)(C)C)cs3)CC2)o1,NLLIZZNUPHFUHL-UHFFFAOYSA-N
-rxn:4:213245:223809,CN(C(=O)Cn1nc(-c2ccc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cc2)ccc1=O)C1CCCCC1,OJBZQVXRHMGGSZ-UHFFFAOYSA-N
-rxn:4:213249:225053,CC1CCCCN1c1ccc(-c2cccnc2OC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)c(F)c1,DWNVUZCOMSCOSR-UHFFFAOYSA-N
-rxn:4:213260:225933,O=S1(=O)CCC(CN2CCCC(COc3ncc(-c4cc(C5CC5)nc(C(F)(F)F)c4)cn3)C2)CC1,YBXPEYKTDZAPMQ-UHFFFAOYSA-N
-rxn:4:213267:223421,CNC(C)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nc2C(=O)OC(C)(C)C)s1,HXKUQPPGXNVCBI-UHFFFAOYSA-N
-rxn:4:213268:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(-c3c[nH]c([C@@H]4C[C@H](C)CN4C(=O)OC(C)(C)C)n3)cc2)cc1,OXKKVYNARCXIQO-DWACAAAGSA-N
-rxn:4:213279:223567,Cc1ccc(S(=O)(=O)N2N=C(c3ccc(-c4cc5cc(OC(C)C)ccc5n4C(=O)OC(C)(C)C)cc3)CC2c2cccc([N+](=O)[O-])c2)cc1,FOALTEGXVFPDCW-UHFFFAOYSA-N
-rxn:4:213280:223021,COCCNC(=O)c1cccc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCCCC3)c2)c1,GNRUNMQCNNDPDB-UHFFFAOYSA-N
-rxn:4:213281:227161,Cc1c2cc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)ccc2nn1C,VPGCQKLSVUKKFZ-UHFFFAOYSA-N
-rxn:4:213412:225619,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(Cl)cc4OC4CCCC4)cc3nn2C)CC1,CTVIPZGEANUCFK-UHFFFAOYSA-N
-rxn:4:213424:226260,COCC(C)Oc1cccc(-c2ccc(C(=O)N3CCC(COc4cc5c(nn4)CCCC5)CC3)cc2)c1,JVHGVUDNCJRBMR-UHFFFAOYSA-N
-rxn:4:213440:228466,COC(=O)c1sc(Cl)cc1-c1ccc2ccn(CC(=O)N3CCN(C(=O)C4COc5ccccc5O4)CC3)c2c1,CPSBDBNYXJSMEQ-UHFFFAOYSA-N
-rxn:4:213458:227762,COc1ccc(-c2cccc(Cl)c2C(F)(F)F)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,KRCYDMXLXDACBP-BIYCFNCWSA-N
-rxn:4:213471:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)cc2)CC1,DZEPGZDEKOAAKM-UHFFFAOYSA-N
-rxn:4:213471:224570,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)cc2)cc1)N1CCN(C)CC1,ASPGSNLZURYIST-UHFFFAOYSA-N
-rxn:4:213480:223007,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C5CCNCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,HAYCPDXWXCOIRJ-FGGQGBITSA-N
-rxn:4:213480:225943,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCOCC5)s4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OKIKRWNOKWETDS-UCKIBBKRSA-N
-rxn:4:213645:223815,O=C(c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1F)N1CC(Cn2cc(Cl)cn2)C1,KFVDBRGWRSORBY-UHFFFAOYSA-N
-rxn:4:213658:223587,COc1cc(COc2ccc(F)c(-c3cnn(CC4CN(C(=O)C5CCCO5)C4)c3)c2F)cc(OC)c1,GYRKDSCTSBMENM-UHFFFAOYSA-N
-rxn:4:213672:224718,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2ccc(OCCN3CCOCC3)nc2)CC1,MWADVIUHICQLCB-UHFFFAOYSA-N
-rxn:4:213680:225059,CC1CCN(c2ccc(-c3cc(N4CCN(CC(F)(F)F)CC4)c([N+](=O)[O-])cc3F)c(Cl)c2)CC1,RWGFMUQYZJGDII-UHFFFAOYSA-N
-rxn:4:213688:222793,COC(=O)C1CCN(C(=O)c2c(-c3cccc(NC(=O)OC(C)(C)C)c3F)cnn2C)CC1,WPHGXKCYWUSURH-UHFFFAOYSA-N
-rxn:4:213692:225386,CC(C(=O)N1CCC(C(F)(F)F)CC1)n1cc(-c2cc(F)c(C(F)(F)F)cc2[N+](=O)[O-])cn1,YDWACFOGWHEIIA-UHFFFAOYSA-N
-rxn:4:213710:222723,O=C(c1ccc(F)cc1Cl)N1CCC(Oc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,NMBUBPYVODWXIL-UHFFFAOYSA-N
-rxn:4:213713:224399,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(N3CCOCC3)cc2C(F)(F)F)[nH]1,YVWXNPZLKVEMAL-IBGZPJMESA-N
-rxn:4:213759:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)cn3)cc2)CC1,FQTSGAQSAXMDFM-UHFFFAOYSA-N
-rxn:4:213760:224659,CN1CCN(C(=O)c2cccc(-c3cnn(CC4CN(C(=O)C5CCOCC5)C4)c3)c2)CC1,VQRAEKHXGUZVFT-UHFFFAOYSA-N
-rxn:4:213761:226006,O=C(C1CC=CCC1)N1CC(Cn2cc(-c3cc(F)cc(OCC(F)(F)F)c3)cn2)C1,WYIXRRUWMSSENP-UHFFFAOYSA-N
-rxn:4:213771:223935,CC(C)C(=O)N1CCC(Oc2ncc(-c3cc4cccc(F)c4n3C(=O)OC(C)(C)C)cn2)CC1,YUSQFDDMKPGCKD-UHFFFAOYSA-N
-rxn:4:213781:223812,Cc1csc(CN2CCN(C(=O)c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)o3)CC2)n1,BXLXGAYMBJBCFL-UHFFFAOYSA-N
-rxn:4:213796:224751,O=C(c1cc(-c2cnn(CC3CN(CC4CCOCC4)C3)c2)ccc1F)N1CCOCC1,IYBGQTBFDOJEFG-UHFFFAOYSA-N
-rxn:4:213840:223096,CC(=O)Nc1ccc([N+](=O)[O-])c(-c2nccn2C2CCCN(C(=O)OC(C)(C)C)C2)c1,JFLHGHOHNLNIHB-UHFFFAOYSA-N
-rxn:4:213880:225977,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cc(Cl)cnc2N2CCOCC2)CC1,HFTSRDNRDPKISM-UHFFFAOYSA-N
-rxn:4:213887:222584,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)nc2)CC1,HFJRXOGKWQPOER-UHFFFAOYSA-N
-rxn:4:213887:225984,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3cnc(Cl)c(N4CCOCC4)c3)nc2)CC1,RFGQTFKWZAWYCE-UHFFFAOYSA-N
-rxn:4:213889:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3cc(C4CCCN(C(=O)OC(C)(C)C)C4)ncn3)cc2)CC1,HROIVFVRWFMYQV-UHFFFAOYSA-N
-rxn:4:213921:224309,CC(C)(C)[Si](C)(C)Oc1ccc(Cl)c(-c2cccc(N3CCN(Cc4ccccc4)CC3)c2[N+](=O)[O-])c1F,WADOKMJLUBKVFD-UHFFFAOYSA-N
-rxn:4:213932:228862,N#CCCn1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)cn1,MQOVHOAXQOXCJL-UHFFFAOYSA-N
-rxn:4:213938:225715,COCCOCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)ccc1F,SMAPPLVIWAMPKU-UHFFFAOYSA-N
-rxn:4:213971:228694,CCN(C)c1csc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,OGTGYUMSSFWNTL-UHFFFAOYSA-N
-rxn:4:213992:223166,c1cc(N2CCNCC2)ncc1-c1cnc(OC2CCN(CC3CCOCC3)CC2)nc1,QGCZUQFWQXWWNJ-UHFFFAOYSA-N
-rxn:4:213992:226287,CC(C)COc1cc(Cl)ccc1-c1cnc(OC2CCN(CC3CCOCC3)CC2)nc1,JKINSTSBRRYZSR-UHFFFAOYSA-N
-rxn:4:213993:224930,CCN(CC)Cc1cc(-c2cnc(N3CCN(C)CC3)c(C(=O)OC(C)(C)C)c2)ccc1OC,DDFUUAIROHVBNM-UHFFFAOYSA-N
-rxn:4:214002:224760,Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1,RORIHAXIHVOCHU-UHFFFAOYSA-N
-rxn:4:214002:224761,Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2)CC1,JYAGSJOIURQPDO-UHFFFAOYSA-N
-rxn:4:214002:224819,Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1,FODOAENBFKWBID-UHFFFAOYSA-N
-rxn:4:214002:224820,Cc1nccn1CC1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)CC1,PLQZOEYBVPGRRS-UHFFFAOYSA-N
-rxn:4:214012:222988,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc(C2CCNCC2)n1,ATGFCOPAVSHXRP-UHFFFAOYSA-N
-rxn:4:214014:223091,CC(C)(C)OC(=O)Nc1ncc(-c2cncc(C(=O)N3CCCSCC3CN3CCCC3)c2)s1,UHJGQFXMIOPEND-UHFFFAOYSA-N
-rxn:4:214027:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,WAYGIZWHEPBVSV-UHFFFAOYSA-N
-rxn:4:214029:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(C(F)(F)F)c3)ccn2)CC1,SYNNSIZMVDAYGJ-UHFFFAOYSA-N
-rxn:4:214029:229151,N#Cc1cnc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)cn1,YOISRQKWWCRNGF-UHFFFAOYSA-N
-rxn:4:214033:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,JKULKCBNDKQALT-PQUUEDNTSA-N
-rxn:4:214033:227817,CC(C)Cc1ccccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,VLEIKOMOXGFLFG-JWQCQUIFSA-N
-rxn:4:214033:228231,CC(C)[C@H]1COC(c2cc(-c3ccc(N(C)C)cc3F)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,KZBZEDBQZHZNIU-DHIUTWEWSA-N
-rxn:4:214035:225004,O=C1CCN(Cc2ccc(-c3ccc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)cc2)CC1,WOJNYWFAGRQJNP-UHFFFAOYSA-N
-rxn:4:214036:224563,Cc1ccc(-c2ccc(C3=NN(S(C)(=O)=O)C(c4ccc(N(C)C)cc4)C3)cc2)c(O[Si](C)(C)C(C)(C)C)c1,BBPBPABCIXHOIZ-UHFFFAOYSA-N
-rxn:4:214051:223009,CC(C)c1sc(-c2cc(Cl)cc(C3CCNCC3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,NRXXYLRHHAFHQZ-UHFFFAOYSA-N
-rxn:4:214064:222914,CS(=O)(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)Nc4nccs4)c3)cc2N2CCOCC2)CC1,UTBHFSCULDFEON-UHFFFAOYSA-N
-rxn:4:214081:225757,COC(=O)c1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=S)cc2)cc(C(C)C)n1,AEDDEXLMNLREOM-UHFFFAOYSA-N
-rxn:4:214179:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2ccn3cnc(C4CN(C(=O)OC(C)(C)C)C4)c3c2)c1,LWAMZDVMDJWNKY-UHFFFAOYSA-N
-rxn:4:214180:222584,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3n2)C1,SJCRNKZAYYJUDC-UHFFFAOYSA-N
-rxn:4:214238:223608,CCOc1c(C)cnc2c1c(=O)n(Cc1ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCOCC4)c3)cc1)c(=O)n2C,RANAZUXASUPOGC-UHFFFAOYSA-N
-rxn:4:214255:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncnc(Cl)c23)cc1,SXHPQURWKBJLJK-UHFFFAOYSA-N
-rxn:4:214274:225984,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4cnc(Cl)c(N5CCOCC5)c4)cccc32)CC1,NHAWINSMUGOZIK-UHFFFAOYSA-N
-rxn:4:214278:223567,CC(C)Oc1ccc2c(c1)cc(-c1ccc3ccn(CC(=O)N4CCN(c5ccccc5)CC4)c3c1)n2C(=O)OC(C)(C)C,QLSWXGIHSPAVQI-UHFFFAOYSA-N
-rxn:4:214376:223581,COC(=O)c1cccc2cc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(c3nnc(CC(C)C)s3)C5=O)n(C(=O)OC(C)(C)C)c12,LRZDTGQBCZCDHZ-UHFFFAOYSA-N
-rxn:4:214379:226548,COC(=O)Cc1ccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)c(Cl)c1,YFFNRDICMOQAHY-UHFFFAOYSA-N
-rxn:4:214391:223279,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(C5CCCN5)nc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,SFHKVZJIGTWJDD-UHFFFAOYSA-N
-rxn:4:214391:227233,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CC#N)c(OC)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,PXAPZAGCQYOAFP-UHFFFAOYSA-N
-rxn:4:214454:223500,CC(C)CCn1cnc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,PWXGKESJLLCIRX-UHFFFAOYSA-N
-rxn:4:214626:224167,CN(Cc1ccc(-c2ccc(N3CCN(C(=O)C(F)(F)F)CC3)nc2)cc1)C(=O)OC(C)(C)C,PEDODJXYFRHMPE-UHFFFAOYSA-N
-rxn:4:214632:222673,COC(=O)C1CCN(c2ncc(-c3cc(C(=O)NC4CCCCC4)ccc3Cl)cn2)CC1,MJWNBWAOTBTWHW-UHFFFAOYSA-N
-rxn:4:214633:224721,CC(=O)N1CCC(Oc2ncc(-c3c(C)nn(CC(=O)OC(C)(C)C)c3C)cn2)CC1,RHBDBWCOSHZIAH-UHFFFAOYSA-N
-rxn:4:214646:223992,Cc1ccc(-c2nccc(OCC3CCN(C)CC3)n2)cc1S(=O)(=O)N1CCN(C)CC1,CPINAKLMWUBLKD-UHFFFAOYSA-N
-rxn:4:214647:222715,CC(C(=O)N1CCCCC1)n1cc(-c2cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c2)cn1,IAYANLDFLZZDDS-UHFFFAOYSA-N
-rxn:4:214654:222645,CN1CCC(Oc2ncc([N+](=O)[O-])cc2-c2cccc(OCCN3CCC(O)CC3)c2)CC1,OBZJWUHOIUUJDL-UHFFFAOYSA-N
-rxn:4:214669:224247,CC(=O)N1CCC(Cc2cnc(-c3ccc(C(=O)N4CCC(C)CC4)cc3F)cn2)CC1,ISCSCHVRQGZIJC-UHFFFAOYSA-N
-rxn:4:214671:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnn(C4CCN(C(=O)C5CC5)CC4)c3)cc2)CC1,IOQNYSMVXSBFLZ-UHFFFAOYSA-N
-rxn:4:214730:225174,O=S(=O)(C1CC1)N1CCN(c2ccc(-c3ccc(F)cc3CN3CCOCC3)cn2)CC1,PNTAFYAVEIPLEH-UHFFFAOYSA-N
-rxn:4:214734:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(S(=O)(=O)C5CC5)CC4)c(Cl)c3)c(F)c2)CC1,LKCHJGHPCUMYLA-UHFFFAOYSA-N
-rxn:4:214767:225199,CN(C)C1CCN(c2c(-c3cc(F)c(OC4CCCC4)c(F)c3)cccc2[N+](=O)[O-])CC1,SLMDDPRNDQMGHE-UHFFFAOYSA-N
-rxn:4:214796:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(N4CCN(Cc5ccccc5)CC4)c3)c(F)c2)CC1,PXUQARRMLSUZRN-UHFFFAOYSA-N
-rxn:4:214802:224672,CCN1CCN(c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCCC4)C3)c(Cl)c2)CC1,ZKSHTZHBBYVCAO-UHFFFAOYSA-N
-rxn:4:214819:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1,OLRVTIXEKLYRGS-UHFFFAOYSA-N
-rxn:4:214836:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c2Cl)CC1,UTRWZNPFKNPWTB-UHFFFAOYSA-N
-rxn:4:214838:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,RRQGDMJDOPJAMP-UHFFFAOYSA-N
-rxn:4:214839:226474,CN(C)CCOc1cncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,JZDSUHGDNRNKOB-UHFFFAOYSA-N
-rxn:4:214850:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(CC4CCCN(C(C)C)CC4)cn3)c2)CC1,DYUHJTBEGZWUOU-UHFFFAOYSA-N
-rxn:4:214868:226255,CCCCOc1ccc(Cl)cc1-c1cccnc1N1CCOC(C(=O)N2CCCCC2)C1,LIMUZFSLWCPVEQ-UHFFFAOYSA-N
-rxn:4:214888:225914,CCOc1cc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)cc(C(F)(F)F)c1,NRUCSZAJQNLJRO-UHFFFAOYSA-N
-rxn:4:215128:223996,CN1CCN(c2ccc(-c3ccccc3C(=O)N3CCn4nc(C5CC5)cc4C3)c(C(F)(F)F)c2)CC1,OUZMXHCUQFCWSW-UHFFFAOYSA-N
-rxn:4:215148:224078,CC(C)(C)OC(=O)N1Cc2cnc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)n2CC1(C)C,GVUOXRVXXITPRV-UHFFFAOYSA-N
-rxn:4:215150:223755,CC1CCN(CCCOc2ccc(-c3ccc4nc(N5CCN(C(=O)C(C)C)CC5)sc4c3)cc2F)CC1,BOBPDKISNXJVRS-UHFFFAOYSA-N
-rxn:4:215202:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,AGUOQZOFOMXQKX-UHFFFAOYSA-N
-rxn:4:215215:226023,O=C(C1CN(c2ccc3ccc(-c4ccc(Cl)c(OCC(F)F)c4F)cc3n2)CCO1)N1CCCC1,VFBYACZRUKVNNQ-UHFFFAOYSA-N
-rxn:4:215216:222584,O=C(C1CCCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3s2)C1)N1CCOCC1,NPXXINKNEBNUNS-UHFFFAOYSA-N
-rxn:4:215232:222871,CC(C)CNC(=O)c1ccc(-c2ccc3ccc(N4CCCC(C(=O)N5CCOCC5)C4)nc3c2)cc1Cl,SQYNZUSFJXFIRG-UHFFFAOYSA-N
-rxn:4:215295:226481,COc1ccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)cc1OCC#N,CYTCNDUFNDRYJT-UHFFFAOYSA-N
-rxn:4:215711:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cncc([N+](=O)[O-])c1N1CCC(F)(F)C1,IUOMJRIYBJKMAT-UHFFFAOYSA-N
-rxn:4:215852:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(N4CCOCC4)nc(C4CC4)n3)c2)CC1,LKRARAHPILAXEI-UHFFFAOYSA-N
-rxn:4:215907:223712,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)nc2)cc1C12CC3CC(CC(C3)C1)C2,HGQPCMNTKBLALZ-UHFFFAOYSA-N
-rxn:4:215945:223992,Cc1ccc(-c2cc(N3CCC(N(C)C)CC3)ccn2)cc1S(=O)(=O)N1CCN(C)CC1,LSJZCFDBGGAWAQ-UHFFFAOYSA-N
-rxn:4:215963:224323,Cc1cc(-c2nc(C3CC3)cc(N3CCCC(C)C3)n2)cc(C)c1S(=O)(=O)N1CCCC1,RVIOZGJBSCFOSW-UHFFFAOYSA-N
-rxn:4:216024:223497,COC(=O)c1cn2ccnc2c(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)n1,ACXZUWAFUHATNA-UHFFFAOYSA-N
-rxn:4:216052:223497,COC(=O)c1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)n2ncnc(Cl)c12,QGIXDWVIMBPWQM-UHFFFAOYSA-N
-rxn:4:216219:223970,Cc1ccc(-c2cnc(OC3CC4CCC(C3)N4C)nc2)cc1S(=O)(=O)N1CCC(C)CC1,XDAAZJMCNWRTGE-UHFFFAOYSA-N
-rxn:4:216245:222613,CCCNS(=O)(=O)c1ccc(-c2cnc3c(c2)N(C(=O)C(C)(C)C)CCN3C)c(C(F)(F)F)c1,BNLWLMNDZMEWIN-UHFFFAOYSA-N
-rxn:4:216354:222589,CC(=O)N1CCC2(CC1)Oc1ccc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)cc1C1CC(c3ccccc3)=NN12,BGOBXSXBJZGNJD-UHFFFAOYSA-N
-rxn:4:216355:225180,CC(C)C(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccc(C(=O)N4CCCC4)cc3Cl)cc12,LZIBGWJKKOBHLG-UHFFFAOYSA-N
-rxn:4:217072:223501,Cc1nn(C(C)(C)C)nc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,GBUOEDMGKHOWGQ-UHFFFAOYSA-N
-rxn:4:217882:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4ncnc(N5CCCCC5)c4c3)c(Cl)c2)CC1,GNKWGXHLLKSVIS-UHFFFAOYSA-N
-rxn:4:218526:223491,Cc1nc(Cl)c2c(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)c(C)n(C)c2n1,ITZTZTJNWHKEHS-UHFFFAOYSA-N
-rxn:4:218578:226894,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cc(Cl)c(F)cc3C(F)(F)F)cn2)CC1,SHHZVIOMUKXTPV-UHFFFAOYSA-N
-rxn:4:218587:223079,CC(C)NS(=O)(=O)c1cccc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)c1,YOIMOQAPBRPZNP-UHFFFAOYSA-N
-rxn:4:218615:222868,CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cnc(-c2ccccc2NC(=O)OC(C)(C)C)cn1,LWDRZGHTVFXKAL-UHFFFAOYSA-N
-rxn:4:218649:223480,Cc1cc(-c2cccc(-c3noc(-c4ccc(=O)n(CC(=O)N(C)c5ccccc5)c4)n3)c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RBNKMLSUDJGSDQ-UHFFFAOYSA-N
-rxn:4:218652:222584,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cn1,LUDJGDBRSXZXJL-UHFFFAOYSA-N
-rxn:4:218666:222684,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)c3)C2)nn1,HBAGOWFKPVTKOG-UHFFFAOYSA-N
-rxn:4:218666:225294,CCN1CCN(c2ncc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)cn2)CC1,UEKZVDKFXWNFQK-UHFFFAOYSA-N
-rxn:4:218675:226539,CCOC(=O)c1ccc(Cl)cc1-c1cncc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)c1,DFBOBNIAAOWHCH-UHFFFAOYSA-N
-rxn:4:218682:225875,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCOCC5)cc4Cl)cn3)C2)CC1,AWBPGIGKZZUZRN-UHFFFAOYSA-N
-rxn:4:218687:224018,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)c3)CC2)nn1,RFFGGOUOEMUKAJ-UHFFFAOYSA-N
-rxn:4:218711:223735,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccccc3OCc3ccc(C(C)(C)C)cc3)CC2)CC1,PBXLFOOYSFCMJF-UHFFFAOYSA-N
-rxn:4:218718:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(-c3c(C)nn4c(CC(=O)OC)c(C(=O)OC)nnc34)cc2)c(Cl)c1,WWHIQBQSNRKYJZ-UHFFFAOYSA-N
-rxn:4:218745:224496,CCN1CCN(Cc2cccc(-c3cnc(OCC4CCCN(C(=O)Cn5c(=O)oc6ccccc65)C4)nc3)c2)CC1,YYEHRGCNGHVUCW-UHFFFAOYSA-N
-rxn:4:218769:223120,O=C(NC1CC1)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)c1,YVIXYKZTXLJFPT-UHFFFAOYSA-N
-rxn:4:218785:225977,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(Cl)cnc3N3CCOCC3)cc1-2,BQBLOAHNZLYPMM-UHFFFAOYSA-N
-rxn:4:218824:224691,CN(CC1CN(c2ncc(-c3ccc(C(=O)N4CC5(COC5)C4)cc3)cn2)C1)S(=O)(=O)C1CC1,LTBUXFWPBMEOLR-UHFFFAOYSA-N
-rxn:4:218837:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(OCC4CCN(Cc5cocn5)CC4)nc3)c2)CC1,OBSUQYJWPFZVFL-UHFFFAOYSA-N
-rxn:4:218867:225859,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCCC4)c(Cl)c3)c2)no1,YRGPWBMBPDAUNH-UHFFFAOYSA-N
-rxn:4:218868:224991,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CC4)nc(N4CCCC4)c3)cc2)no1,XARAQTHMHWSFDL-UHFFFAOYSA-N
-rxn:4:218879:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1cnc(OCC2CCN(C(=O)c3ccccn3)CC2)nc1,CDNFHYMAZKBSMG-UHFFFAOYSA-N
-rxn:4:218885:224592,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)CC1,CBSYNOULFWEETI-UHFFFAOYSA-N
-rxn:4:218889:224759,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)no1,YLGOSHPPTAVOOS-UHFFFAOYSA-N
-rxn:4:218894:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)c(C#N)c3)ccc21,QHEABWGPXCXTEH-UHFFFAOYSA-N
-rxn:4:218895:224196,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4cc(F)cc(CN5CCN(CC)CC5)c4)c3)C2)c1F,UOIAQQMGZFEFHU-UHFFFAOYSA-N
-rxn:4:218898:224254,CC1CCCN(C(=O)c2cc(-c3cnc(OCC4CCN(C(=O)c5ccncc5F)CC4)nc3)ccc2F)C1,VIDNTFZAQPOFIZ-UHFFFAOYSA-N
-rxn:4:218900:224015,Cc1cc(F)c(-c2cnn(CC3CN(C(=O)c4cccc(N(C)C)c4)C3)c2)cc1S(=O)(=O)N1CCOCC1,IYZUFARSQNWNLW-UHFFFAOYSA-N
-rxn:4:218922:222927,Cc1nc(N2CCCCC2O)ncc1-c1cnc(OCC2CCN(c3ncccc3C(F)(F)F)CC2)nc1,PDIHKXDNTJOJPL-UHFFFAOYSA-N
-rxn:4:218944:226025,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(OC4CCOC4)nc3Cl)cc2[N+](=O)[O-])CC1,RZZPJKZIFSXBIY-UHFFFAOYSA-N
-rxn:4:218972:224592,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)C2)s1,MWKPPSPDGGTEJB-UHFFFAOYSA-N
-rxn:4:218975:224253,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc(F)c(C(=O)N4CCCCC4C)c3)cc2C#N)CC1,LBFXPVFBEBWOEN-UHFFFAOYSA-N
-rxn:4:218983:226016,COc1ccc(-c2ccc(OCC(F)(F)F)cc2Cl)c(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1,RSOAWSNOLVHBAU-UHFFFAOYSA-N
-rxn:4:218998:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(C(=O)N5CCOCC5)C4)nc3)c(F)cc2C)CC1,IRPBCSXDLFLNBW-UHFFFAOYSA-N
-rxn:4:219002:222584,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)c1=O,XKCUNQPMAYOZNY-UHFFFAOYSA-N
-rxn:4:219016:223553,CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cncc(-c3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)cc3)c2)C1,XIXAPQJJQVZXIM-UHFFFAOYSA-N
-rxn:4:219058:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2CC(=O)N2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1,UZLILESNDKZWTM-UHFFFAOYSA-N
-rxn:4:219075:224256,COc1ccc(-c2cc(N3CCCN(C(=O)c4cccc(-c5ccc(Cl)c(C(=O)N6CCCCC6C)c5)c4)CC3)[nH]n2)cc1,ATTNTVCNGOZPTG-UHFFFAOYSA-N
-rxn:4:219078:223817,O=C(c1ccccc1-c1cnn(CCN2C(=O)c3ccccc3C2=O)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,YFTXKWQVGJQELK-UHFFFAOYSA-N
-rxn:4:219080:223896,COc1ccc(-c2cccc(OC)c2C(=O)N(C(C)C)C(C)C)c(C(=O)N2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)c1,UGPVVGAHMKXMPX-UHFFFAOYSA-N
-rxn:4:219092:224400,CCCCCCn1c(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)nc2c1c(=O)n(C)c(=O)n2C,OFVQHLOFRXWZIG-UHFFFAOYSA-N
-rxn:4:219120:225744,CC(C)(C)OC(=O)c1cncc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)c1,KLZQUMIQMAXLOV-UHFFFAOYSA-N
-rxn:4:219144:224718,O=C1c2ccccc2C(=O)N1CCN1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,LHHTUJYPTZSVCD-UHFFFAOYSA-N
-rxn:4:219144:225730,CCCCOc1c(Cl)ccc(-c2cnc(OC3CCN(CCN4C(=O)c5ccccc5C4=O)CC3)nc2)c1F,SLFXXLPXDUKBBQ-UHFFFAOYSA-N
-rxn:4:219175:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)C4CCCCC4)cc3n2)cc1,UKIJJMLPZYCWEQ-UHFFFAOYSA-N
-rxn:4:219247:223838,Cc1ncsc1C(=O)N1CC(Cn2cc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)C1,ACTCLRQXISKHTN-UHFFFAOYSA-N
-rxn:4:219271:226794,O=[N+]([O-])c1cc(-c2cnc(N3CCSCC3)nc2)cnc1N1CCN(CC(F)(F)F)CC1,MIDXNJCFTMAITP-UHFFFAOYSA-N
-rxn:4:219294:223812,Cc1nc(C(=O)N2CCC(Oc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)cs1,OVKQNLBDIQDREA-UHFFFAOYSA-N
-rxn:4:219354:222948,CN(C1CCN(c2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)C1)S(=O)(=O)C1CC1,QYAHFGPDBYFIMD-UHFFFAOYSA-N
-rxn:4:219354:223056,CN(C1CCN(c2ncc(-c3ccc(N4CCC(O)CC4)nc3)cn2)C1)S(=O)(=O)C1CC1,GGWVSZHCNCKMBT-UHFFFAOYSA-N
-rxn:4:219354:223084,CN(C1CCN(c2ncc(-c3cnc(N4CCC(O)CC4)nc3)cn2)C1)S(=O)(=O)C1CC1,NJFZXRISXCSINQ-UHFFFAOYSA-N
-rxn:4:219354:224718,CN(C1CCN(c2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1)S(=O)(=O)C1CC1,ZOOQFNPTEGLPBN-UHFFFAOYSA-N
-rxn:4:219414:227500,CCN(C)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)cc1Cl,PAGANQBCIMMDHN-UHFFFAOYSA-N
-rxn:4:219419:225592,Cc1nc(N2CCN(C(=O)c3ccc(-c4cc(F)ccc4CN4CCCC4)o3)CC2)cc(C(F)(F)F)n1,MVUDTYZTDRXKQN-UHFFFAOYSA-N
-rxn:4:219451:223602,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(C(=O)N2CCCN(CC3CC3)CC2)n1,SSDGVODYSFQWFT-UHFFFAOYSA-N
-rxn:4:219452:222510,Cc1ccc(NC(=O)c2cc(F)cc(-c3nc(C)nn3C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1,UIJQWBIXTZNJAJ-UHFFFAOYSA-N
-rxn:4:219457:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3C)nn2)cc1,UNWZZYPKTFQVON-UHFFFAOYSA-N
-rxn:4:219468:225093,CCCOc1c(Cl)cc(-c2cnc(OC3CCN(C(=O)N4CCOCC4)CC3)nc2)cc1OCC,SFJOTRWLPHCUNJ-UHFFFAOYSA-N
-rxn:4:219471:222599,CSc1ncc(-c2ccc(C(=O)Nc3cccc(Cl)c3)c(F)c2)c(N2CCOC(C(=O)N3CCCC3)C2)n1,NJTACRPUGMRNKO-UHFFFAOYSA-N
-rxn:4:219471:225518,CCCCCOc1ncc(C)cc1-c1cnc(SC)nc1N1CCOC(C(=O)N2CCCC2)C1,OKXROQIRLOEBKF-UHFFFAOYSA-N
-rxn:4:219491:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(-n2nnc(C(=O)N3CCOCC3)c2C(C)C)cc1,DPFLZGUKCCOAFZ-UHFFFAOYSA-N
-rxn:4:219497:227500,CCN(C)c1ncc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)cc1Cl,AEHZINDBDIDOTF-UHFFFAOYSA-N
-rxn:4:219498:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)cc1OCC,CQEZBJSIOQNDOL-UHFFFAOYSA-N
-rxn:4:219503:222394,Cc1ncnc(N2CCN(C(=O)Cc3ccc(-c4ccc(C(=O)N[C@H]5CC[C@H](O)CC5)cc4)cc3)CC2)c1F,FXGXTKPPJILWQT-DIVCQZSQSA-N
-rxn:4:219506:224830,O=S(=O)(c1ccc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,IHKHNJARVHPLGH-UHFFFAOYSA-N
-rxn:4:219521:222698,Cn1nc(C2CCN(C(=O)c3ccc(-c4ccc(C(=O)N5CCC(O)CC5)c(Cl)c4)o3)CC2)n(C2CC2)c1=O,YQDOVJQMPNFCHG-UHFFFAOYSA-N
-rxn:4:219530:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(OC2CCN(C3CCN(C4CC4)C3=O)CC2)nc1,DHVNRZWDZHNKEE-UHFFFAOYSA-N
-rxn:4:219531:224552,CSc1ncc(-c2cc(F)cc(COC3CCCCC3)c2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,NQRSDIJJPJULKI-UHFFFAOYSA-N
-rxn:4:219533:224253,CSc1ncc(-c2ccc(F)c(C(=O)N3CCCCC3C)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,SOXBRBSKKVPSOE-UHFFFAOYSA-N
-rxn:4:219540:223895,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)N3CCC(N(C)c4cc(C)ncn4)CC3)cc2)CC1,JDTHPWOAJKEOQC-UHFFFAOYSA-N
-rxn:4:219562:224004,O=C(c1cncc(-c2cnc(Cl)c(-c3ccc(C(F)(F)F)cc3)c2)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,MAKGCZPOEGBDPX-UHFFFAOYSA-N
-rxn:4:219610:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(Cn4cc(CN5C(=O)c6ccccc6C5=O)nn4)cc3)c(F)c2)CC1,DEGGANOLWSJJQU-UHFFFAOYSA-N
-rxn:4:219653:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2n1,SVXAEDBSBKEOLR-UHFFFAOYSA-N
-rxn:4:219653:225882,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cnc(Cl)c(C5CCOCC5)c4)nc3s2)CC1,IVVNFAHPIVVSOF-UHFFFAOYSA-N
-rxn:4:219695:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccccc3C(=O)N3CCN(Cc4nc5ccccc5[nH]4)CC3)c2)CC1,POBIZNXKCNXDBU-UHFFFAOYSA-N
-rxn:4:219704:224658,CC(=O)N1CCN(c2ccc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)cc2)CC1,QFVMNRBVDSKBGB-UHFFFAOYSA-N
-rxn:4:219706:224361,CCN(CC)S(=O)(=O)c1cc(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)ccc1OC,QUZIEKKTERDJNJ-UHFFFAOYSA-N
-rxn:4:219718:224619,Cc1cc(OC2CN(C(=O)c3c4ccc(-c5ccc(OCCN6CCCC6)c(F)c5)cc4nn3C)C2)cc(=O)n1C,VCNFBXZWVYEIBF-UHFFFAOYSA-N
-rxn:4:219759:225875,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCOCC5)cc4Cl)cc2)OC3)CC1,HPOLQFKGZLYXSU-UHFFFAOYSA-N
-rxn:4:219853:224497,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)cc2)CC1,VSKMUQGHBQIPHT-UHFFFAOYSA-N
-rxn:4:219891:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1cnn(CC2CN(C3CCN(C)C3=O)C2)c1,MZJRAKUUSJRMLJ-UHFFFAOYSA-N
-rxn:4:219909:223532,Cn1cnc(N2CCC(Oc3ccncc3-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)cc1=O,TUODOOMTOCDBDT-UHFFFAOYSA-N
-rxn:4:219940:224009,COc1cc(N2CCN(c3ccc(-c4ccc(OC)c(S(=O)(=O)N5CCOCC5)c4)cn3)CC2=O)ccn1,RVFHRYMQJDHHGX-UHFFFAOYSA-N
-rxn:4:219959:223816,C[Si](C)(C)CCOCn1c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc2c(Cl)ccnc21,INAAVGKOMQSCHJ-UHFFFAOYSA-N
-rxn:4:220135:223992,Cc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2cncn2)C3)cc1S(=O)(=O)N1CCN(C)CC1,RKUMJFRQKOHDKN-UHFFFAOYSA-N
-rxn:4:220159:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)cc2C)CC1,JKMCKDIQELBBFB-UHFFFAOYSA-N
-rxn:4:220205:224127,CCN1CCN(C(C)c2ccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)ncc4c3)cc2)CC1,YKBNUPSKJIRUAG-UHFFFAOYSA-N
-rxn:4:220205:226554,CCCOc1cc(F)c(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)cc1F,OCYIYTMOXPWORR-UHFFFAOYSA-N
-rxn:4:220429:224497,CCN1CCN(Cc2ccc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)cc2)CC1,KQTPLCIKTVORHF-UHFFFAOYSA-N
-rxn:4:220429:224883,CC(c1ccc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)cc1)N1CCCCC1,IHYMUDWZAFMHID-UHFFFAOYSA-N
-rxn:4:220430:224244,CC1CCN(C(=O)c2cc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)ccc2Cl)CC1,PKLHIIGTCVGMDZ-UHFFFAOYSA-N
-rxn:4:220470:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cncc(C(=O)N2CCn3nccc3C2)c1,WSTLDZNTUVLYNI-UHFFFAOYSA-N
-rxn:4:220506:222426,CC(C)n1cc(-c2nn(C)c3ccc(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)cc23)cn1,YKQNNDVDMTUTMA-UHFFFAOYSA-N
-rxn:4:221100:224608,COC(=O)c1cc(OCC2CC2)cc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4OC)CC3)nc2)c1,CUXOOGGSQPGYIV-UHFFFAOYSA-N
-rxn:4:221108:223059,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccc(N5CCNCC5)cc4Cl)cn3)CC2)c(=O)c1C,XBOYNMATPCDGIP-UHFFFAOYSA-N
-rxn:4:221116:223279,CCOc1ccc(-c2cnc(C3CCCN3)nc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,TZUWNYFJJOBTCE-UHFFFAOYSA-N
-rxn:4:221121:225090,CCOCc1cc(OC)c(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c(OC)c1,VLBACJNQFJQQSO-UHFFFAOYSA-N
-rxn:4:221142:224180,CN1CCN(CCOc2ccccc2-c2ccc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)c(F)c2)CC1,JSGYTNXTVCALLE-UHFFFAOYSA-N
-rxn:4:221169:225175,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(F)c(CN5CCOCC5)c4)cn3)C2)cn1,MMFMZUIOQFBXCO-UHFFFAOYSA-N
-rxn:4:221172:222546,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)ccc1=O,SKXZKSQOMDLTPS-UHFFFAOYSA-N
-rxn:4:221180:225158,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(C(=O)N5CCSCC5)cc4)cn3)CC2)nn1C,SAHUKBHEPIDHLB-UHFFFAOYSA-N
-rxn:4:221181:222948,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)C2)nn1C,LBCWAFVPJMTWPA-UHFFFAOYSA-N
-rxn:4:221181:224243,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCCCC5C)c4)cn3)C2)nn1C,TYOUUIRAXQLGJZ-UHFFFAOYSA-N
-rxn:4:221181:224246,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCC(C)CC5)c(F)c4)cn3)C2)nn1C,YVNOPBKZTUSXDE-UHFFFAOYSA-N
-rxn:4:221194:222929,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cnc(Cl)c(N5CCC(O)CC5)c4)cn3)CC2)cn1C,QDNRXBDWIOWJGC-UHFFFAOYSA-N
-rxn:4:221194:226583,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(CN5CCOCC5)s4)cn3)CC2)cn1C,LXYKBXMTVLPXHY-UHFFFAOYSA-N
-rxn:4:221195:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C(=O)N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)cc1,LCJODSIKWPJLFF-UHFFFAOYSA-N
-rxn:4:221328:223754,CC1CCN(CCCOc2ccc(-c3cnccc3OC3CCN(Cc4ncnn4C)C3)cc2Cl)CC1,KLAGCDFEPJFDDL-UHFFFAOYSA-N
-rxn:4:221345:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(c5ncc(Cl)cn5)CC4)nc3)cc2[N+](=O)[O-])CC1,UXBKIRRTSCHIRU-UHFFFAOYSA-N
-rxn:4:221351:224009,COc1ccc(-c2cnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)nc2)cc1S(=O)(=O)N1CCOCC1,OHEXBRZYOGFZIM-UHFFFAOYSA-N
-rxn:4:221362:223594,Cc1cc(N2CCCC(COc3ncc(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)ncn1,IEOKLVZYPPHJIQ-UHFFFAOYSA-N
-rxn:4:221391:224372,CSc1ncc(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)c(N2CCC(N(C)c3ccccn3)CC2)n1,OZGHYLGIFOXQRZ-UHFFFAOYSA-N
-rxn:4:221418:222584,Cc1ccccc1-c1ccc(N2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)CC2)nn1,AOUQYWDMCFAAHA-UHFFFAOYSA-N
-rxn:4:221422:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(Cl)c(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,KJVMVFRQESYPSH-UHFFFAOYSA-N
-rxn:4:221433:222395,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cccc(C(=O)NC5CCC(O)CC5)c4)cc3)CC2)n1,ORECDUKJZWXTCK-UHFFFAOYSA-N
-rxn:4:221449:225209,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCC5C)nc4C)cc3)CC2)n1,LWUCEZOWAXQEGJ-UHFFFAOYSA-N
-rxn:4:221449:225774,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)OC(C)C)c4)cc3)CC2)n1,LNBTXZYLGVQKOV-UHFFFAOYSA-N
-rxn:4:221449:227004,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4OCC(C)C)cc3)CC2)n1,MIAIVQGGXPLVJE-UHFFFAOYSA-N
-rxn:4:221451:225174,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3-c3ccc(F)cc3CN3CCOCC3)CC2)n1,XRNWDKALMHCJCA-UHFFFAOYSA-N
-rxn:4:221455:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCCCCC6)nn5)CC4)cc3)cn2)CC1,ISDHWHVRBCHVJK-UHFFFAOYSA-N
-rxn:4:221528:223812,CC(C)c1sc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,HQVYVKOMFSVVRC-UHFFFAOYSA-N
-rxn:4:221640:223474,Cc1cc(C)nc(N2CCC(Oc3ncc(-c4ccc(OCc5ccccc5)c(C56CC7CC(CC(C7)C5)C6)c4)cn3)CC2)n1,RLFASWWYVIZIKF-UHFFFAOYSA-N
-rxn:4:221641:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)c(F)c2)CC1,MIVFRWWRIYJMCQ-UHFFFAOYSA-N
-rxn:4:221759:222426,Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cc1,WXUQJTZAPIUTEO-UHFFFAOYSA-N
-rxn:4:221832:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)ccn2)CC1,NLSHFGKRCPTBMH-UHFFFAOYSA-N
-rxn:4:221920:228092,CCOc1ccc(-c2cc(N(CC)CC)cs2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,WXQMMQDETDKMGB-UHFFFAOYSA-N
-rxn:4:221933:222657,CN(C(=O)c1cncc(-c2ccc(F)c(C(=O)NC3CCCCC3)c2)c1)C1CN(c2nccnc2C#N)C1,PPTQZJPWIUVLSC-UHFFFAOYSA-N
-rxn:4:221939:222632,Cn1ncnc1CN1CCC(COc2ncc(-c3cccc(C(=O)NCCN4CCCC4)c3)cn2)CC1,JJRDOSWOLASLAI-UHFFFAOYSA-N
-rxn:4:221958:224329,CCc1nc(-c2ccc(N3CCN(C(=O)c4cncc(-c5ccc(C(=O)N6CCC(=O)CC6)c(F)c5)c4)CC3)nc2)no1,OCNYREFFOVTGTM-UHFFFAOYSA-N
-rxn:4:221962:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C(C)C)no6)nn5)CC4)c3)c2)CC1,RLXXCJFJVDCQIA-UHFFFAOYSA-N
-rxn:4:221965:223271,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(NC(C)=O)c5)cc4)CC3)nn2)CC1,LWSKTCUTGRHBKK-UHFFFAOYSA-N
-rxn:4:221967:222619,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccc(CNC(=O)C4CCCCC4)cc3)cc2)c1=O,IRPHNZBJHQKMOE-UHFFFAOYSA-N
-rxn:4:221981:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1cccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C(C)C)cc5)C(=O)C43)n2)c1,BYIFHCZBKOFZIR-UHFFFAOYSA-N
-rxn:4:222036:223815,O=C(c1cncc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1,FSAREXGZKLKLTF-UHFFFAOYSA-N
-rxn:4:222039:227716,O=C(c1cc(-c2cccc(F)c2OC(F)F)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,XGVRCFQCUBGVPK-UHFFFAOYSA-N
-rxn:4:222048:223582,COC(=O)c1ccc2cc(-c3ccc(C(=O)N4CCN(c5ccc(-n6nc(C)c(C)c6C)nn5)CC4)o3)n(C(=O)OC(C)(C)C)c2c1,HTGDOAPUGLHQJZ-UHFFFAOYSA-N
-rxn:4:222062:222788,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4F)cc3)CC2)n1,YBOFAHFABWCMFY-UHFFFAOYSA-N
-rxn:4:222075:222602,CC(C)Cc1cc(-c2cnn(CC3CN(c4nccn5nc(C6CC6)cc45)C3)c2)c(S(=O)(=O)NC(C)(C)C)s1,IEIGXNSYJZPDLR-UHFFFAOYSA-N
-rxn:4:222089:224998,O=C(c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1)N1CCCCC1,WKSJJBGQGKJCEG-UHFFFAOYSA-N
-rxn:4:222108:225751,COc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,XVOLLLWAENPRIJ-UHFFFAOYSA-N
-rxn:4:222120:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(C)c(C)c7)C(=O)C65)n4)cc3)cc2)CC1,CZDSGJYJPAGUTN-UHFFFAOYSA-N
-rxn:4:222123:226582,CN(C)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)cc2)c(F)c1,WYBFRRZBJMQCGI-UHFFFAOYSA-N
-rxn:4:222124:225530,CCN(CC)Cc1ccc(F)cc1-c1cccc(-c2noc(CN3N=NC4C(=O)N(c5ccc6c(c5)CCC6)C(=O)C43)n2)c1,KJNZHJFDPWXAHS-UHFFFAOYSA-N
-rxn:4:222156:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)cnc2C1,ZNMQCODMNLFBQN-UHFFFAOYSA-N
-rxn:4:222167:222651,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4cc(C(=O)NC5CCCCC5)ccc4F)cn3)CC2)c1C,JDQNIROVPFINPY-UHFFFAOYSA-N
-rxn:4:222168:222628,c1nc(C2CCOCC2)cc(N2CCN(c3ncc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cn3)CC2)n1,HVGLQSSCZDKUAA-UHFFFAOYSA-N
-rxn:4:222192:222852,OC1CCN(Cc2cccc(-c3cnc(N4CCN(c5nc(C6CC6)nc6c5CCC6)CC4)nc3)c2)CC1,GMYSBLFPPQWZKE-UHFFFAOYSA-N
-rxn:4:222194:224782,CN1CCN(c2cc(-c3cnc(N4CCN(c5nc(C(C)(C)C)nc6c5CCC6)CC4)nc3)cc(F)c2F)CC1,JUNVUDIETYMEGX-UHFFFAOYSA-N
-rxn:4:222235:223840,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4C(C)C(C)=NN5C)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,ZVAVWQPQFURBIO-UHFFFAOYSA-N
-rxn:4:222284:223790,COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6cncc(C7CCCN7C(=O)OC(C)(C)C)c6)cc5)CC4)ncnc32)c1,HLCXQENRWGMHQV-UHFFFAOYSA-N
-rxn:4:222289:223810,Cc1cc(-c2cnc(N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,KXFVZKGEMIQKHW-UHFFFAOYSA-N
-rxn:4:222289:223831,COc1ccc(-c2cnc(N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,DDPXCFRVYNAFFU-UHFFFAOYSA-N
-rxn:4:222289:223840,COc1ccc(-c2cnc(N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,IDJSYXXETSLHRN-UHFFFAOYSA-N
-rxn:4:222312:223581,COC(=O)c1cccc2cc(-c3cccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5cccc(F)c5)CC4)c3)n(C(=O)OC(C)(C)C)c12,MTMHOOHGAMWBSY-UHFFFAOYSA-N
-rxn:4:222332:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)c(F)cc(F)c2s1,DWKWKAUXIJAAKX-UHFFFAOYSA-N
-rxn:4:222332:222853,OC1CCN(Cc2ccc(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)cc2)CC1,YVSZVUWLZLMWFX-UHFFFAOYSA-N
-rxn:4:222361:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CCOC)CC5C4)nc3)c2)CC1,XIFRAQNEZMSYJL-UHFFFAOYSA-N
-rxn:4:222363:224691,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)N5CC6(COC6)C5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UBSPETDAGRNLRE-UHFFFAOYSA-N
-rxn:4:222380:224197,CCN1CCN(Cc2ccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)cc2F)CC1,IVJXSTQHHCBDST-UHFFFAOYSA-N
-rxn:4:222513:177843,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)CC2CC2)cc1C,WJAIVNFAVQRCLP-UHFFFAOYSA-N
-rxn:4:222523:197952,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc3c2CCC3N2CCCC(F)(F)C2)c(C(F)(F)F)c1,YMSKXLLJWAPZSL-UHFFFAOYSA-N
-rxn:4:222523:204417,CC(C)(C)NS(=O)(=O)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c1,PQZYCHOCJAHSPY-UHFFFAOYSA-N
-rxn:4:222523:214120,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3c(c2)c(C#N)cn3C(=O)OC(C)(C)C)c(C(F)(F)F)c1,PLKMKPAUOXWUEV-UHFFFAOYSA-N
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-rxn:4:222742:218824,CN(CC1CN(c2ncc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cn2)C1)S(=O)(=O)C1CC1,LRGBTDPOLPQMFE-UHFFFAOYSA-N
-rxn:4:222791:174516,CC(C)[Si](Oc1ccccc1-c1cc(NC(=O)OC(C)(C)C)ccc1Cl)(C(C)C)C(C)C,WEIFLTWWKOIUFP-UHFFFAOYSA-N
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-rxn:4:222881:174522,CC(C)[Si](C#Cc1ccc(-c2ccc(C(=O)NC(C)(C)C)cc2F)cc1)(C(C)C)C(C)C,HZEHRGIBVYMYHG-UHFFFAOYSA-N
-rxn:4:222910:187221,CCCNS(=O)(=O)c1ccc(-c2cc(F)ccc2C2CN(C(=O)OC(C)(C)C)C2)c(C)c1,XSIWZRHGDXJFCX-UHFFFAOYSA-N
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-rxn:5:177891:225805:223246,COc1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C(C)N3CCOCC3)s2)c2cn[nH]c12,YHPUPCRZDIXGIE-UHFFFAOYSA-N
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-rxn:5:177891:226583:228584,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CC2)c1)c1ccccc1-c1ccc(CN2CCOCC2)s1,MSRFVXVLAFSUKA-UHFFFAOYSA-N
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-rxn:5:177891:227278:226447,N#CC1(c2ccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccnc(C4CCOCC4)c3)cn2)CC1,ZCHSNFNZKOLKEA-UHFFFAOYSA-N
-rxn:5:177891:227403:227684,O=C(SC1CS(=O)(=O)CC1c1cnn(CC2OCCO2)c1)c1ccccc1-c1ccc(N2CCCCC2)s1,SCNVLHFFHOLJQQ-UHFFFAOYSA-N
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-rxn:5:177891:227517:226590,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2CCOC2)nc1)c1ccccc1-c1ccc(OC2COC2)nc1,OMGXPOTYVMJASF-UHFFFAOYSA-N
-rxn:5:177891:227517:228016,O=C(SC1CS(=O)(=O)CC1c1cc(C2CCCC2)cs1)c1ccccc1-c1ccc(OC2COC2)nc1,XTUGKAXLIKZZFI-UHFFFAOYSA-N
-rxn:5:177891:227656:225798,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2CCOCC2)nc1)c1ccccc1-c1cc(N2CCOCC2)cs1,PZWVGXRIBPQQPT-UHFFFAOYSA-N
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-rxn:5:177891:228878:226644,O=C(SC1CS(=O)(=O)CC1c1cncc(N2CCOCC2)c1)c1ccccc1-c1cnn(C2COC2)c1,GQMMOABRAJMZIJ-UHFFFAOYSA-N
-rxn:5:178119:222980:223281,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(CN3CCNCC3)cc2)c1-c1ccc(C2(O)COC2)nc1,RSHPLTLSZYTSBI-UHFFFAOYSA-N
-rxn:5:178120:223189:223294,CS(=O)(=O)Nc1ccc(-c2cccc(OCC3CCOCC3)c2-c2csc(N3CCNCC3)n2)c(F)c1,ZTXRMVYNYDZYNO-UHFFFAOYSA-N
-rxn:5:178121:227656:227803,CN(C)S(=O)(=O)n1nccc1-c1cccc(OCC2CCOCC2)c1-c1cc(N2CCOCC2)cs1,WLNQFOYCIUSRBN-UHFFFAOYSA-N
-rxn:5:178122:222959:227507,Cc1cc(-c2ccc(COC3CCCCO3)c(-c3cccc(C=C[N+](=O)[O-])c3)c2)ccc1C1CCNCC1,VOSNHMVABBNLQF-UHFFFAOYSA-N
-rxn:5:178224:222986:227507,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2)cc(C2CCCNC2)n1,BWSAVTQNUSUBNP-UHFFFAOYSA-N
-rxn:5:178224:226592:225451,CC(C)Oc1cc(F)c(F)cc1-c1cc(OCC2CCCCC2)cc(-c2ccc(SC3CCCCC3)cc2)c1,CCVQYUBULQZBQG-UHFFFAOYSA-N
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-rxn:5:178295:223011:222405,COC(=O)C1(c2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2-c2cc3[nH]ncc3cc2OC(C)C)CCC(=O)CC1,WCERVIDNAJKTTM-UHFFFAOYSA-N
-rxn:5:178295:223246:225941,COC(=O)C1(c2cc(-c3cnc(C4CC4)c(C(F)(F)F)c3)ccc2-c2ccc(OC)c3[nH]ncc23)CCC(=O)CC1,HPEWXLASFRHIGZ-UHFFFAOYSA-N
-rxn:5:178295:223348:227302,COC(=O)C1(c2cc(-c3cnc(OC(C)C)c(C)c3)ccc2-c2ccc3c(c2)C(=O)NC3)CCC(=O)CC1,YXGUGMMOOWUTJL-UHFFFAOYSA-N
-rxn:5:178295:225446:227280,COC(=O)C1(c2cc(-c3cc(C#N)ncc3C(C)C)ccc2-c2cc(C)cc(OC3CCCC3)c2)CCC(=O)CC1,DQQYFYZRPMBSAM-UHFFFAOYSA-N
-rxn:5:178295:225933:223243,COC(=O)C1(c2cc(-c3cc4[nH]ncc4cc3OC)ccc2-c2cc(C3CC3)nc(C(F)(F)F)c2)CCC(=O)CC1,YJYAZFIFDRXNCH-UHFFFAOYSA-N
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-rxn:5:178295:225934:223246,COC(=O)C1(c2cc(-c3ccc(OC)c4[nH]ncc34)ccc2-c2cnc(C(F)(F)F)c(C3CC3)c2)CCC(=O)CC1,ANESSFWLNKCBKF-UHFFFAOYSA-N
-rxn:5:178295:225941:223243,COC(=O)C1(c2cc(-c3cc4[nH]ncc4cc3OC)ccc2-c2cnc(C3CC3)c(C(F)(F)F)c2)CCC(=O)CC1,NDJXJLLDDTZERN-UHFFFAOYSA-N
-rxn:5:178295:225941:223244,COC(=O)C1(c2cc(-c3cc4cn[nH]c4cc3OC)ccc2-c2cnc(C3CC3)c(C(F)(F)F)c2)CCC(=O)CC1,PKVVZKQASIXIRR-UHFFFAOYSA-N
-rxn:5:178295:226154:228435,COC(=O)C1(c2cc(-c3c(SC)ccc(F)c3F)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,VGTPGTHWEVQQEV-UHFFFAOYSA-N
-rxn:5:178295:227120:227831,CCc1c(C)cc(-c2ccc(-c3ccc(C4CCC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,KSYFIKPQQGFDBY-UHFFFAOYSA-N
-rxn:5:178295:227311:227124,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(C(C)(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,OJCWNDNUNCHBJH-UHFFFAOYSA-N
-rxn:5:178295:227311:228344,CCC(C)c1cc(F)c(-c2ccc(-c3ccc(SC(F)F)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,VIECTISGRUXVMY-UHFFFAOYSA-N
-rxn:5:178295:227525:226188,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(C)c([Si](C)(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,HMYGYNFTGXBMCB-UHFFFAOYSA-N
-rxn:5:178295:227540:227718,COC(=O)C1(c2cc(-c3ccc(OC(F)F)cc3F)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,VAMJNXILSYELRY-UHFFFAOYSA-N
-rxn:5:178295:227675:228189,CCSc1ccc(F)c(-c2ccc(-c3cc(OC)c(C)c(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZRMPSRGLHXUQRE-UHFFFAOYSA-N
-rxn:5:178295:227713:227313,CCC(C)c1cc(-c2ccc(-c3cc(F)ccc3OC(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,ASACHYXRFBHPEY-UHFFFAOYSA-N
-rxn:5:178295:228115:222405,COC(=O)C1(c2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2-c2ccc(OC(C)C)nc2)CCC(=O)CC1,QMRANQOAJFSNSK-UHFFFAOYSA-N
-rxn:5:178295:228189:227297,CCSc1ccc(F)c(-c2ccc(-c3cc(CN(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NYWNLDLHDVZFMU-UHFFFAOYSA-N
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-rxn:5:178313:225453:227058,COc1ccc(C2CC2)cc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1cccc(SC2CCCCC2)c1,UEEQLQQWKDVOAI-UHFFFAOYSA-N
-rxn:5:178313:225499:226067,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCC3)cc2F)c(-c2ccc(C3=CCCCC3)cc2)c1,RIAVCQBPBDNFRK-UHFFFAOYSA-N
-rxn:5:178313:226150:225591,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCC3)c2)c(-c2cc(CN3CCCC3)ccc2F)c1,ZVEMBMJWSYPVMN-UHFFFAOYSA-N
-rxn:5:178313:226189:226067,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCC3)c(F)c2)c(-c2ccc(C3=CCCCC3)cc2)c1,DXNXMSLCSPJIJX-UHFFFAOYSA-N
-rxn:5:178313:227047:225407,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCC3)c2)c(-c2ccc(C3CCCCCC3)cc2)c1,OAASKYRAYKZVCS-UHFFFAOYSA-N
-rxn:5:178313:227052:225464,CC1CCCN(c2cccc(-c3cc(O[Si](C)(C)C(C)(C)C)ccc3-c3ccc(SC(C)(C)C)cc3)c2)C1,ODZILQCXEDWQST-UHFFFAOYSA-N
-rxn:5:178314:225499:228002,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCC3)cc2F)ccc1-c1sccc1C1CCCC1,HBTWWQCURLFRNF-UHFFFAOYSA-N
-rxn:5:178314:227044:225395,CC(C)(C)c1cc(-c2ccc(-c3ccc(C(=O)C4CC4)cc3)cc2O[Si](C)(C)C(C)(C)C)cc(C2CC2)c1,FJEKOLMGFLQLJT-UHFFFAOYSA-N
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-rxn:5:178315:225451:226441,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2ccc(N3CCCC3)cc2F)c1,ZFWOICHSPAEPHF-UHFFFAOYSA-N
-rxn:5:178315:225451:227108,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2cc(C3CCC3)ccc2F)c1,BSKLNIDWPLEMBD-UHFFFAOYSA-N
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-rxn:5:178467:225870:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(F)cc(N4CCOCC4)c3)c2OC1,ZDMXUMMECUUPHE-UHFFFAOYSA-N
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-rxn:5:178467:227292:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(F)c(CN(C)C)c3)c2OC1,DDFNPBSRVIYVFT-UHFFFAOYSA-N
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-rxn:5:178467:228361:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3cc(N(C)C)ncc3F)c2OC1,ZHEXLJJVIMKAAD-UHFFFAOYSA-N
-rxn:5:178467:228371:222985,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3C)cc(-c3ccc(F)c(C#N)c3F)c2OC1,FDTUIWFMYQIBFY-UHFFFAOYSA-N
-rxn:5:179629:225607:227656,COc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(S(C)(=O)=O)c1-c1cc(N2CCOCC2)cs1,OLMKMCDNADWSEQ-UHFFFAOYSA-N
-rxn:5:180022:225985:226197,COc1c(-c2ccc(C3CCCOC3)cc2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,QWLRDOQDQRFMRO-UHFFFAOYSA-N
-rxn:5:180202:225986:225805,CC(c1ccc(-c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2OC2CCOCC2)s1)N1CCOCC1,KYPHTPVJAYKAIN-UHFFFAOYSA-N
-rxn:5:180267:226026:225814,CSc1cc(C(C)(C)C)cc(-c2ccc(S(=O)(=O)N(C)C)c(F)c2)c1-c1cccc(C2(C(F)(F)F)CC2)c1,JQIPTSNBJWMDSA-UHFFFAOYSA-N
-rxn:5:180297:223004:227506,COc1cc(-c2ccc(C3CCNCC3)c(F)c2)c(C2(C)OCCO2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1,PKZGMDLGBHUDTR-JLHYYAGUSA-N
-rxn:5:180297:225986:223147,COc1cc(-c2ccccc2N2CCCS2(=O)=O)c(C2(C)OCCO2)cc1-c1ccc(C2CNCCO2)cc1,PCAIEBGOWRRRKP-UHFFFAOYSA-N
-rxn:5:180602:225833:226663,COC(=O)C1Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3ccnc(N4CCCCC4)c3F)c2O1,LVPIWLMJDHUKMM-UHFFFAOYSA-N
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-rxn:5:180662:223062:227574,COC(=O)C1=Cc2cc(-c3ccc(F)c(OC)c3OC)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,TYTULNZPHUIIHL-UHFFFAOYSA-N
-rxn:5:180662:225784:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3ccc(CN4CCOCC4)nc3)c2OC1,HGOUEWACEWZSPP-CMDGGOBGSA-N
-rxn:5:180662:226044:227672,COC(=O)C1=Cc2cc(-c3cccc(C)c3C(F)(F)F)cc(-c3c(F)c(F)cc([N+](=O)[O-])c3OC)c2OC1,VNTVVJATJZOCAK-UHFFFAOYSA-N
-rxn:5:180662:226188:223139,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cc(C)c([Si](C)(C)C)cc3C)c2OC1,CCCONAWLCCUSSR-UHFFFAOYSA-N
-rxn:5:180662:226918:225813,COC(=O)C1=Cc2cc(-c3cc(F)c(OC(C)C)c(F)c3C)cc(-c3ccc(C4=CCCC4)cc3)c2OC1,YHYQPVWQLGOISQ-UHFFFAOYSA-N
-rxn:5:181624:223001:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cc(C3CCCNC3)ccc2F)ccc1C1OCCO1,PHBOSNFYXVZXHS-UHFFFAOYSA-N
-rxn:5:181624:225832:222998,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(-c2cc(F)cc(C3CCCNC3)c2)c1,VRIZXXQBXBAOEA-UHFFFAOYSA-N
-rxn:5:181906:225451:226686,Cc1ccc(-c2ccc(SC3CCCCC3)cc2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,SGCKMTNYITVLKZ-UHFFFAOYSA-N
-rxn:5:181906:225607:223135,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1cccnc1C1CCCNC1,MCRFPYHLZLVKJO-UHFFFAOYSA-N
-rxn:5:181906:225832:226663,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1ccc(N2CCSCC2)nc1,LVPKVJADKZBHIA-UHFFFAOYSA-N
-rxn:5:181908:226571:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2cnn(CC3CCOCC3)c2)c(C2CCCNC2)c1,GGQDXDPFNPGUJO-UHFFFAOYSA-N
-rxn:5:182010:225607:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)c(-c2ccc(C(C)N3CCCCC3)s2)c1,NACMQPRTZASLKY-UHFFFAOYSA-N
-rxn:5:182012:225805:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C(C)N3CCOCC3)s2)cc1C1CCCOC1,SIBQGUKIIKRDAA-UHFFFAOYSA-N
-rxn:5:188254:223002:222987,COC(=O)c1cc(-c2ccc(C3CCNCC3)cc2F)c(C#N)cc1-c1ccc(C2CCNCC2)nc1C,UMGXUZOJIWGVAO-UHFFFAOYSA-N
-rxn:5:188930:223139:223056,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)cc1-c1ccc(N2CCC(O)CC2)nc1,ZDNARRWWCVPQLF-UHFFFAOYSA-N
-rxn:5:188930:223147:226649,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CNCCO3)cc2)cc1-c1cccnc1N1CCOCC1,IECJROPWNXNLPO-UHFFFAOYSA-N
-rxn:5:188930:225638:227086,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCC(C)CC3)nc2)cc1-c1ccnc(C2CCCC2)c1,RDCVKVJJZLCOOW-UHFFFAOYSA-N
-rxn:5:188930:225654:226440,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(N3CCCC(C)C3)nc2)cc1-c1cc(F)nc(C2CCCC2)c1,BHGGFWBMYLHEHU-UHFFFAOYSA-N
-rxn:5:188930:226174:226180,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCCCC3)nc2)cc1-c1cc(C)nc(C2CCCC2)c1,GLBRNIOWXKKFEF-UHFFFAOYSA-N
-rxn:5:188930:226180:226440,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C)nc(C3CCCC3)c2)cc1-c1cc(F)nc(C2CCCC2)c1,JHLQCUHUSDTVTL-UHFFFAOYSA-N
-rxn:5:188930:226382:226060,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1cc(C2CC2)cc(C2CC2)c1,GBYWSMXCKIIDJC-UHFFFAOYSA-N
-rxn:5:188930:226440:226139,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(F)nc(C3CCCC3)c2)cc1-c1cc(C2CC2)cnc1C1CC1,QCKJYIZQIVQGOD-UHFFFAOYSA-N
-rxn:5:188930:227381:225394,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)cc1-c1cc(C2CCC2)cc(C2CC2)c1,DMSRHRMYIQZCIW-UHFFFAOYSA-N
-rxn:5:188932:225636:226180,COC(=O)c1cc(-c2cc(C)nc(C3CCCC3)c2)c(S(N)(=O)=O)c(-c2ccnc(N3CCC(C)CC3)c2)c1,LYJXHVMZXOEMRH-UHFFFAOYSA-N
-rxn:5:188932:226180:226180,COC(=O)c1cc(-c2cc(C)nc(C3CCCC3)c2)c(S(N)(=O)=O)c(-c2cc(C)nc(C3CCCC3)c2)c1,OZIHLJINHHWXNT-UHFFFAOYSA-N
-rxn:5:188932:226189:223138,COC(=O)c1cc(-c2ccnc(C3CCNCC3)c2)c(S(N)(=O)=O)c(-c2ccc(C3CCCC3)c(F)c2)c1,NVYACPREAVJFJH-UHFFFAOYSA-N
-rxn:5:188932:226212:226735,CON=C1CCc2cc(-c3cc(C(=O)OC)cc(-c4cc(C#N)cc(C(F)(F)F)c4)c3S(N)(=O)=O)ccc21,LVPGPLUFGCMMFP-UHFFFAOYSA-N
-rxn:5:188932:227503:225395,COC(=O)c1cc(-c2cc(C3CC3)cc(C(C)(C)C)c2)c(S(N)(=O)=O)c(-c2cc(OC(C)C)ncc2F)c1,AWFUOIPBKRABPW-UHFFFAOYSA-N
-rxn:5:189078:223064:225639,CCN(C)C(=O)c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1-c1cccnc1N1CCC(C)CC1,HFFFQGROQKCHNN-UHFFFAOYSA-N
-rxn:5:189078:225982:226661,CCN(C)C(=O)c1cc(-c2cnc(N3CCOCC3)cc2F)ccc1-c1cc(N2CCN(C)CC2)cs1,SRRBKTZXIAWAJU-UHFFFAOYSA-N
-rxn:5:189079:226661:225849,CCN(C)C(=O)c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,WDJJRBVXBLHIJS-UHFFFAOYSA-N
-rxn:5:189083:226661:225833,CCN(C)C(=O)c1cccc(-c2cc(N3CCN(C)CC3)cs2)c1-c1ccnc(N2CCCCC2)c1F,CJYOOGGXXIWDRV-UHFFFAOYSA-N
-rxn:5:189083:226662:225833,CCN(C)C(=O)c1cccc(-c2ccc(N3CCN(C)CC3)s2)c1-c1ccnc(N2CCCCC2)c1F,IMRZXVVCLRMECX-UHFFFAOYSA-N
-rxn:5:189207:229061:223006,CC(C)n1cc(-c2ccc(-c3ccc(F)c(C4CCNCC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)cn1,MEDAWDPAPKAACD-UHFFFAOYSA-N
-rxn:5:189207:229061:223007,CC(C)n1cc(-c2ccc(-c3cc(F)cc(C4CCNCC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)cn1,FLAGUFMPFJIFMD-UHFFFAOYSA-N
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-rxn:5:190742:225933:225831,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2c1-c1cnc(N2CCOCC2)c(C)c1,KNVPQDGZOOBSCV-UHFFFAOYSA-N
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-rxn:5:190744:226662:225980,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,LCCMYVQWANECQZ-UHFFFAOYSA-N
-rxn:5:190795:225407:225451,CC(C)(C)OC(=O)n1cc(-c2ccc(C3CCCCCC3)cc2)c2ccc(-c3ccc(SC4CCCCC4)cc3)cc21,KXKPSVGZDOIHAH-UHFFFAOYSA-N
-rxn:5:190796:226150:225451,CC(C)(C)OC(=O)n1cc(-c2cccc(SC3CCCC3)c2)c2c(-c3ccc(SC4CCCCC4)cc3)cccc21,RPACILDNGPOCNB-UHFFFAOYSA-N
-rxn:5:190796:226709:225832,Cc1cc(C(F)(F)F)cc(C)c1-c1cn(C(=O)OC(C)(C)C)c2cccc(-c3c(C)nn(C4CCCCO4)c3C)c12,XZQLYBJGFIVWTO-UHFFFAOYSA-N
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-rxn:5:190998:227045:227446,COC(=O)c1cc(-c2ccc(C3OCCO3)cc2)ccc1N1Cc2cc(-c3cccc(SC(C)(C)C)c3)ccc2OCC1=O,YUYWDVGUTUNXTQ-UHFFFAOYSA-N
-rxn:5:191026:223359:226142,CNCc1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cccc(OC5CCCC5)c4)c2)C=C(C(=O)OC)S3(=O)=O)cc1F,PHYYMEFATDWLLZ-UHFFFAOYSA-N
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-rxn:5:192236:225674:222980,COc1cc(-c2ccc(CN3CCNCC3)cc2)c(S(N)(=O)=O)cc1-c1cnc(C2CCCCC2)cc1F,PZFDTRWBDYPFMP-UHFFFAOYSA-N
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-rxn:5:192567:225652:225679,CC1CCCN(c2cncc(-c3ccc(-c4ccc(N5CCCCC5)cc4F)c(C4(C#N)CCC4)c3)c2)C1,SWFIGXMBEXZVOR-UHFFFAOYSA-N
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-rxn:5:193506:228712:227279,CC(C)n1nc(C2CC2)cc1-c1cc(-c2ccnn2C2CCC2)ccc1S(=O)(=O)N1CCC(=O)CC1,OKTFHUGEYKUBCW-UHFFFAOYSA-N
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-rxn:5:193506:228864:223064,CCOc1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CCNCC4)nc3F)c2)cn1,UKLUKUMKRLHIDG-UHFFFAOYSA-N
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-rxn:5:193756:225588:227941,COCc1cc(C)cc(-c2cc(-c3ccccc3CN3CCSCC3)ccc2C(=O)N2CCCCC2C)c1,LNJCVCNTUUUUTK-UHFFFAOYSA-N
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-rxn:5:193869:223147:227449,Cc1cc(-c2ccc(C3CNCCO3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C2CCOCC2)s1,BJPXAZFMUHVIRD-UHFFFAOYSA-N
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-rxn:5:193870:228605:222957,COc1c(C)cccc1-c1cc(-c2cc(C)cc(C3CCCNC3)c2)c(S(=O)(=O)N2CCCCC2)cc1C,WAGVOUJDJGBKBF-UHFFFAOYSA-N
-rxn:5:193870:228605:222960,COc1c(C)cccc1-c1cc(-c2cc(C)cc(C3CCNCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1C,PBRTZNDSCPTUCP-UHFFFAOYSA-N
-rxn:5:193870:228608:222957,COc1cc(C)ccc1-c1cc(-c2cc(C)cc(C3CCCNC3)c2)c(S(=O)(=O)N2CCCCC2)cc1C,NCUZRKFIGDFAGA-UHFFFAOYSA-N
-rxn:5:193870:228608:222960,COc1cc(C)ccc1-c1cc(-c2cc(C)cc(C3CCNCC3)c2)c(S(=O)(=O)N2CCCCC2)cc1C,JUEOXMFWDOWRLA-UHFFFAOYSA-N
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-rxn:5:193967:225445:228135,CCOc1cc(C)ncc1-c1cc(-c2ccccc2OC2CCCCC2)ccc1CN1CCC2(CC1)OCCO2,WHLNMARTUUFQEY-UHFFFAOYSA-N
-rxn:5:193967:227872:227072,COc1cc(C2CC2)ccc1-c1cc(-c2ccc3c(c2)CCC3=O)ccc1CN1CCC2(CC1)OCCO2,YOIGZGZWCUOULN-UHFFFAOYSA-N
-rxn:5:193968:228687:225633,CCSc1ccc(-c2ccc(-c3ccc(N4CCCCCC4)nc3)c(CN3CCC4(CC3)OCCO4)c2)cn1,OKTRBFYOVNSKLZ-UHFFFAOYSA-N
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-rxn:5:193972:226661:228308,CCOc1ncc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3cc(N4CCN(C)CC4)cs3)cc2C)c(C)n1,GXIQMGMGPJOWOH-UHFFFAOYSA-N
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-rxn:5:193972:228989:222960,Cc1cc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3c(C)cccc3C)cc2C)cc(C2CCNCC2)c1,POVXBJAIDXRYQU-UHFFFAOYSA-N
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-rxn:5:193972:229005:222957,COc1ccccc1-c1cc(C)c(-c2cc(C)cc(C3CCCNC3)c2)cc1S(=O)(=O)N1CCCCCC1,RWNBTHVYVMSBMX-UHFFFAOYSA-N
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-rxn:5:194058:223004:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C3CCNCC3)c(F)c2)s1)N1CCOCC1,SFJPPHJAASPPGC-UHFFFAOYSA-M
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-rxn:5:194058:225808:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(OC3CCCC3)ncc2F)s1)N1CCC(O)C1,UECSMXNRCUVOMG-UHFFFAOYSA-M
-rxn:5:194058:225880:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(C3CCOCC3)ncc2F)s1)N1CCC(O)C1,WFHMCUSIWMTZEO-UHFFFAOYSA-M
-rxn:5:194397:223054:228678,CC(C)Cn1nccc1-c1ccc(C(=O)N2CC3CC3C2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,ZWVXYUMQYICDDN-UHFFFAOYSA-N
-rxn:5:194398:227610:225600,O=C(c1ccc(-c2ccn(C3CCCCO3)n2)cc1-c1cccnc1OC1CCCCC1)N1CC2CC2C1,VGUWGARJNSORJK-UHFFFAOYSA-N
-rxn:5:194399:227491:225448,Cc1ccc(OC2CCCC2)c(-c2cc(C(=O)N3CC4CC4C3)ccc2-c2cnc(OC3CCC3)nc2)c1,XIPCPHHUYHVVDQ-UHFFFAOYSA-N
-rxn:5:194575:225589:225507,COC(=O)C1CCc2cc(-c3cc4c(s3)CCN(S(=O)(=O)c3ccccc3-c3ccc(CN5CCSCC5)cc3)C4)ccc21,GDMOHABMJMJIJV-UHFFFAOYSA-N
-rxn:5:194688:226643:223004,COc1cc(-c2ccc(C3CCNCC3)c(F)c2)cc2c1OCC(=O)N(c1ccc(-c3ccc(N4CCOCC4)nc3)cc1)C2,NQUZHNVXFKNGLQ-UHFFFAOYSA-N
-rxn:5:194733:228781:228480,O=C(c1cc(-c2ccc(C(F)F)cc2)ccc1-c1cc(F)ccc1[N+](=O)[O-])N1C2CCC1CC(=C1CC1)C2,YVPJXEYIAWMJKW-UHFFFAOYSA-N
-rxn:5:194767:223435:227023,COC(=O)c1ccc(-c2ccc(-c3ccc(C(C)N(C)C)cc3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)[nH]1,ZQFMGTULOPIXLT-UHFFFAOYSA-N
-rxn:5:194767:225395:227837,Cc1cc(-c2ccc(-c3cc(C4CC4)cc(C(C)(C)C)c3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc(C2CC2)c1,ZLZMIFAPFUQAPY-UHFFFAOYSA-N
-rxn:5:194767:225679:223266,CNC(=O)c1ccc(F)cc1-c1ccc(-c2ccc(N3CCCCC3)cc2F)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,LADONSBFKUZMGS-UHFFFAOYSA-N
-rxn:5:194767:228150:223064,COC(=O)c1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)cc1,TXARUPIMAFHDEW-UHFFFAOYSA-N
-rxn:5:194767:228705:222996,CN(C)c1ncccc1-c1ccc(-c2ccc(F)cc2C2CCCNC2)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,MHUBJZTZYGTTCQ-UHFFFAOYSA-N
-rxn:5:194791:225671:228572,Cc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5cc(C6CCCCC6)ncc5F)C(=O)C34)cc2)cc1C#N,DHIYSYCFDHCKNB-UHFFFAOYSA-N
-rxn:5:196622:225602:223064,N#CC1(c2ccc(F)c(-c3cccc(N4CCCC4=O)c3-c3ccc(C4CCNCC4)nc3F)c2)CCC1,KEIHGBOLSAPGGQ-UHFFFAOYSA-N
-rxn:5:196789:226318:223065,CN(C)c1cc(-c2ccc(N3CCOCC3=O)c(-c3ccc(N4CCNCC4)cc3F)c2)cc(C2CC2)n1,LDPDSIKIAXYMRX-UHFFFAOYSA-N
-rxn:5:196791:226794:225982,O=C1COCCN1c1cccc(-c2cnc(N3CCSCC3)nc2)c1-c1cnc(N2CCOCC2)cc1F,ODYMQXKVPVWBAA-UHFFFAOYSA-N
-rxn:5:196873:223148:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCOCC2)ccc1-c1ccccc1C1CNCCO1,KVHSAVHLYFPLQN-UHFFFAOYSA-N
-rxn:5:196873:225823:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(N2CCOCC2)ccc1-c1cc(C(C)C)cc(C(F)(F)F)c1,LYLYJQIXKFKZLY-UHFFFAOYSA-N
-rxn:5:196917:223004:226129,CC1(C)COC(c2cc(-c3cccc(CN4CCCC4)c3)ccc2-c2ccc(C3CCNCC3)c(F)c2)=N1,MXGVMQAQUMWJJS-UHFFFAOYSA-N
-rxn:5:196970:225832:223186,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1cnn(C2CCCCO2)c1,NFIPQMQQRYPDTB-UHFFFAOYSA-N
-rxn:5:197876:223188:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2cnc(NC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,AIXOKPGILSILCO-UHFFFAOYSA-N
-rxn:5:197876:223286:226762,CSc1cc(-c2cc3c(cc2-c2cccc(NS(C)(=O)=O)c2)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,UBKMDJDOIKEZEJ-UHFFFAOYSA-N
-rxn:5:197876:225498:227891,CN(C)Cc1ccccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,DWPJRKSRFINVGG-UHFFFAOYSA-N
-rxn:5:197876:225499:226462,CCn1cnc2cc(-c3cc4c(cc3-c3ccc(C5CCCCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)c(F)cc21,JZDVSPZFMKLBAE-UHFFFAOYSA-N
-rxn:5:197876:225499:227299,CN(C)Cc1cc(F)cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VVUATGGHAIYQBV-UHFFFAOYSA-N
-rxn:5:197876:225499:228261,CSc1ccc(F)c(C)c1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,UUTJYUYIMJTOSA-UHFFFAOYSA-N
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-rxn:5:197876:225601:228591,CC(C)c1cnccc1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,KEJFIXPMEVMCOE-UHFFFAOYSA-N
-rxn:5:197876:225602:226199,CC(C)n1ncc2cc(-c3cc4c(cc3-c3cc(C5(C#N)CCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,IWLLHFWCLDMBOH-UHFFFAOYSA-N
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-rxn:5:197876:226594:228383,Cc1cc(-c2cc3c(cc2-c2c(F)cc(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C(F)F,CWUDTPOYLKFERJ-UHFFFAOYSA-N
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-rxn:5:197876:226746:226907,CCc1cnc(C(F)(F)F)cc1-c1cc2c(cc1-c1cccc3c1CCC31CC1)C(=O)N(C(C)(C)C)S2(=O)=O,IHOKFVDYDWSXCV-UHFFFAOYSA-N
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-rxn:5:197876:226761:228388,CSc1ccc(-c2cc3c(cc2-c2cc(C(F)F)ncc2C)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(F)(F)F)c1,UPAFECOSXPKEKC-UHFFFAOYSA-N
-rxn:5:197876:226762:225407,CSc1cc(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,PYFWEFAWCAHZNC-UHFFFAOYSA-N
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-rxn:5:197876:226762:227918,CSc1cc(-c2cc3c(cc2-c2ccc(SC4CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,CQQOFIDKPQPNCY-UHFFFAOYSA-N
-rxn:5:197876:226762:227971,CSc1cc(-c2cc3c(cc2-c2cnccc2C(C)(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,BSWOBUPKYRBLLD-UHFFFAOYSA-N
-rxn:5:197876:226762:228477,CSc1cc(-c2cc3c(cc2-c2cnccc2C(F)(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,BAFQLHYUHNMXNS-UHFFFAOYSA-N
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-rxn:5:197876:226772:227810,CCC(C)c1ccc(-c2cc3c(cc2-c2c(F)cc(C(=O)OC)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,FYRDEQZIYKLHQT-UHFFFAOYSA-N
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-rxn:5:197876:227023:227045,CC(c1ccc(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1)N(C)C,FZUOGLLZAPFLRJ-UHFFFAOYSA-N
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-rxn:5:197876:227088:227045,Cc1cc(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)n1,CSQFHHMAQNFTLB-UHFFFAOYSA-N
-rxn:5:197876:227100:223263,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2c(C)cc(C4CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IVWNOBKRPRRXGE-UHFFFAOYSA-N
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-rxn:5:197876:227120:226611,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C3CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,OOWZFKUKCXNHCJ-UHFFFAOYSA-N
-rxn:5:197876:227124:227115,Cc1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cc1C1CC1,WVZWTMZCPBUSIM-UHFFFAOYSA-N
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-rxn:5:197876:227319:227069,COc1ccc(-c2cc3c(cc2-c2cc(CC(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,UNOSXQSYADAGAG-UHFFFAOYSA-N
-rxn:5:197876:227338:225639,CC1CCN(c2ncccc2-c2cc3c(cc2-c2cc(OC(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)CC1,VHRHNCIZCCAKQX-UHFFFAOYSA-N
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-rxn:4:183272:225170,Fc1ccc(CN2CCOCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c1,QVSXCIIBZHATEL-UHFFFAOYSA-N
-rxn:4:183274:228931,COc1nc(F)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,MXMSFLXOOVXADL-UHFFFAOYSA-N
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-rxn:4:183513:223847,CCCCCC1CCC(c2ccc(-c3ccc(C(F)F)c(C#N)c3CC(=O)OCC)cc2)CC1,KUNQFMRZYQIPCD-UHFFFAOYSA-N
-rxn:4:183668:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)CC1,GFTSSQBWNDPPCG-UHFFFAOYSA-N
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-rxn:4:183818:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccccc1CN(C(=O)OC(C)(C)C)C1CC1,MNOKHFNNFKOEDJ-UHFFFAOYSA-N
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-rxn:4:183844:222524,COC(=O)CN(c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1)S(=O)(=O)c1ccc(C)cc1,AAPQKGZKCPJNFB-UHFFFAOYSA-N
-rxn:4:183864:222872,COC(=O)CN1CCCC(COc2cccc(-c3ccc(C(=O)NC4CC4)cc3OC)c2)C1,OMSYFEFOTQVYEG-UHFFFAOYSA-N
-rxn:4:183866:223811,CCOC(=O)c1c(C)c(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c(C)n1C(=O)OC(C)(C)C,BPWVTTLPDZQKQE-UHFFFAOYSA-N
-rxn:4:183872:224323,COCCOc1cc(-c2cc(C)c(S(=O)(=O)N3CCCC3)c(C)c2)ccc1C(=O)N1CCCCC1,NXBZPPROZFTLCU-UHFFFAOYSA-N
-rxn:4:183880:224317,CN1CCN(C(=O)c2ccc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)c(F)c2)CC1,UISYFZAAPFFJRU-UHFFFAOYSA-N
-rxn:4:183881:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2F)c1,DCKFAJMQRVDGRO-UHFFFAOYSA-N
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-rxn:4:183931:222935,Cc1cc(CN(C(=O)OC(C)(C)C)C2CC2)cc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)c1,YPSXLDGUKJJPPW-UHFFFAOYSA-N
-rxn:4:183942:227751,COc1ccc(-c2ccc(C(F)(F)F)c(Cl)c2)c(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1,MTOYPCQMSOFHGA-UHFFFAOYSA-N
-rxn:4:183956:223811,CN(C)CCOC(C)(c1ccccc1)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,HHDDXONARHIOGJ-UHFFFAOYSA-N
-rxn:4:183996:222805,CC(C)(C)OC(=O)N(Cc1cc(-c2cc(F)c(F)c(N3CCC(O)CC3)c2)ccc1Cl)C1CCCC1,VGNYSHQMGCEAMT-UHFFFAOYSA-N
-rxn:4:184001:227937,COC(=O)C1(c2ccc(-c3cccc(SC(C)C)c3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,JHFWGOPEIVXTMW-UHFFFAOYSA-N
-rxn:4:184014:224764,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(C(=O)N4CCOCC4)cc3F)c2)CC1,MLMIFTNRFPBYGQ-UHFFFAOYSA-N
-rxn:4:184043:224745,COc1ccc(CN(C(=O)c2ccccc2-c2cc(C(=O)OC(C)(C)C)c(Cl)cc2F)C2CCS(=O)(=O)C2)cc1,IFFWSVKXQMNNCY-UHFFFAOYSA-N
-rxn:4:184050:222403,COc1ccc(-c2cccc(NC(=S)NC(C)C)c2)c(C(=O)N2CCCC2CS(=O)(=O)c2ccccc2)c1,PHCFQZZEDCLATA-UHFFFAOYSA-N
-rxn:4:184054:222714,CC(C)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3cc(NC(=O)OC(C)(C)C)cc(F)c3F)cc2)CC1,BDBMPECMKRSJIM-UHFFFAOYSA-N
-rxn:4:184062:226564,COc1cc(OC)c(OC)c(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2C)c1,VKRICLRGQSLWIG-UHFFFAOYSA-N
-rxn:4:184070:224038,COC(=O)C1(c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(Cl)ccc3-4)cc2C)CCN(C(=O)OC(C)(C)C)C1,XPIIIFLTSPYNCU-UHFFFAOYSA-N
-rxn:4:184073:222903,COCCNC(=O)c1ccc(-c2cccc(S(=O)(=O)CC3CCCN(C(=O)OC(C)(C)C)C3)c2)c(Cl)c1,XZGCGTXVAWPILF-UHFFFAOYSA-N
-rxn:4:184090:228875,COC(=O)c1cc(-c2ccnc(Cl)c2C#N)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,XBPFSIZFKKVYKW-UHFFFAOYSA-N
-rxn:4:184094:224075,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2ccc3ccn([Si](C)(C)C(C)(C)C)c3c2)C2CCS(=O)(=O)C2)cc1,WFPQHALYWLFORX-UHFFFAOYSA-N
-rxn:4:184096:223182,CCNS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,HRTHRPCOUBKDSM-UHFFFAOYSA-N
-rxn:4:184096:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1C,AEZCDTSMOHZXFD-UHFFFAOYSA-N
-rxn:4:184098:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1cccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)C2CCS(=O)(=O)C2)c1,GKJGOGICAQDALZ-UHFFFAOYSA-N
-rxn:4:184099:223782,CC(c1ccc(-c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,KTTVBGZDJGPRIR-UHFFFAOYSA-N
-rxn:4:184099:225886,CC(c1ccc(-c2ccc3c(ccn3S(C)(=O)=O)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,UHWXKWSDOXHPIJ-UHFFFAOYSA-N
-rxn:4:184099:227710,CC(c1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,IQECWCVFVQOETP-UHFFFAOYSA-N
-rxn:4:184100:224075,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc3ccn([Si](C)(C)C(C)(C)C)c3c2)c1,GZWMECDSSLXNQW-UHFFFAOYSA-N
-rxn:4:184126:223022,COCCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCCCN2C(=O)c3ccccc3C2=O)cc1,HCJGWUDWRPMWID-UHFFFAOYSA-N
-rxn:4:184163:223532,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)c2ccccc12,RTYGSPHUWGEJSL-UHFFFAOYSA-N
-rxn:4:184181:224970,CC(C)N(Cc1ccc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)c2ccccc12)C(=O)OC(C)(C)C,KELSTZNZWDZBSJ-UHFFFAOYSA-N
-rxn:4:184188:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC3)c3ccccc23)cc1,LYLDTBPTDYQFNX-UHFFFAOYSA-N
-rxn:4:184217:223683,COc1cccc(CN(C(=O)c2oc3ccc(-c4cnc(OC5CCN(C(=O)OC(C)(C)C)C5)nc4)cc3c2C)C2CCS(=O)(=O)C2)c1,WSHHQKJAQZNJIE-UHFFFAOYSA-N
-rxn:4:184222:224076,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)c2ccccc12)C1CCCCC1,ZZOCSNIIXRZWDR-UHFFFAOYSA-N
-rxn:4:184224:223568,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccccc3)nc3c(C)cc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc23)cc1,SIXCAMGYODCXQW-UHFFFAOYSA-N
-rxn:4:184246:223697,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2ccc(S(=O)(=O)N4CCCCC4)cc2C(F)(F)F)c1)N(CCCOC(C)C)C3=O,WFRZWKGMRUWZCV-UHFFFAOYSA-N
-rxn:4:184248:226728,Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(-c2ccc(OCC(F)F)cc2F)c1)N(CCCOC(C)C)C3=O,IQBBUCFAKLVDHH-UHFFFAOYSA-N
-rxn:4:184308:225338,O=[N+]([O-])c1ccc(OC(C(F)(F)F)C(F)(F)F)cc1-c1ccc(F)c(COCC(F)(F)F)c1,WSKSGEFJEXHJDH-UHFFFAOYSA-N
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-rxn:4:185134:224490,COC(=O)C1CCN(CCc2ccc(-c3ccccc3OCCN3CCCCC3)cc2)CC1,RSFTZWHLJLFLIC-UHFFFAOYSA-N
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-rxn:4:185247:226908,CCCCCc1ccc(-c2cc(OC)c(CN3CCC(C(F)(F)F)CC3)c(OC)c2)cc1,IGMXHTDRUPWWDP-UHFFFAOYSA-N
-rxn:4:185261:225203,CCN(C(=O)c1cc(OC)ccc1-c1cc(C(F)(F)F)c(C2CC2)cc1C)C1CCCCC1,IREHUHHRAUFGIS-UHFFFAOYSA-N
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-rxn:4:185301:224379,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)cc1OCCCN1CCC(C)CC1,ZPEQMPLHSRMZTJ-UHFFFAOYSA-N
-rxn:4:185311:226844,CCN(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(C(=O)OC)c1C)C1CCOCC1,YZDQMZMILPXDIX-UHFFFAOYSA-N
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-rxn:4:185334:225306,COc1ccc(S(=O)(=O)N2CCSC2c2cc(-c3c(OC)cc(F)c([Si](C)(C)C)c3F)ccc2OC)cc1,ZFXDCVYMIMAPJB-UHFFFAOYSA-N
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-rxn:4:185357:227890,CCOCc1cccc(-c2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c1,CVSJRLWXVRXICH-UHFFFAOYSA-N
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-rxn:4:185371:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,XYZTYOBQALOBIC-UHFFFAOYSA-N
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-rxn:4:185404:226263,Cc1ccc(-c2ccc(C3CC3)cc2C2CCN(C(=O)OC(C)(C)C)C2)cc1OCCCF,QVZPPFQNRCQXBW-UHFFFAOYSA-N
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-rxn:4:185446:222650,Cc1ccnc(NC(=O)c2ccc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2)c1,OMLQZLORICAZKR-UHFFFAOYSA-N
-rxn:4:185453:224566,COC(=O)C1(c2ccc(-c3cccc4c3cc(OS(=O)(=O)C(F)(F)F)n4CC(F)(F)F)cc2)CCCC1,UXNAXZYDVJFORH-UHFFFAOYSA-N
-rxn:4:185476:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)o1,XKFRUDHFZWQXLK-UHFFFAOYSA-N
-rxn:4:185490:223812,CCOC(=O)c1cc2cc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)ccc2n1CC(C)C,SBGKGBDMHLGYGQ-UHFFFAOYSA-N
-rxn:4:185509:223038,COC(=O)c1cc2c(cc1-c1ccc(Cl)c(C(=O)NC(C)C)c1)CCN2C(=O)OC(C)(C)C,OHOOULPPIMLVFM-UHFFFAOYSA-N
-rxn:4:185545:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3cc(OC4CN(C(=O)OC(C)(C)C)C4)ccc3c2)c1,RTBFPINPXSRKHI-UHFFFAOYSA-N
-rxn:4:185569:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc2c(c1)C(=O)C(=O)N2CCOc1ccc(C(C)(C)C)cc1,RPFINZZXGYTGPD-UHFFFAOYSA-N
-rxn:4:185648:224066,CC(C)(C)c1cc(-c2ccncc2)cc(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)c1,HHWJDDLMHWLGLZ-UHFFFAOYSA-N
-rxn:4:185648:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc5c(c4c3)CCCC5)cc2)cc1,RNRNVWSZAHDUJA-UHFFFAOYSA-N
-rxn:4:185804:223786,COC(=O)Cc1cc(F)cc(C#N)c1-c1ccc(OCCCN2CCN(C)CC2)c(Cl)c1,NBWBJLNRSXUIDU-UHFFFAOYSA-N
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-rxn:4:185970:222523,CCOC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc(S(=O)(=O)NC(C)(C)C)cc1C(F)(F)F,OGESPARNFIEINF-UHFFFAOYSA-N
-rxn:4:186030:223895,CCN1CCN(CCOc2ccc(-c3cc(CC(=O)OC)c([N+](=O)[O-])cc3Cl)cc2)CC1,VFFXFNRNWQMFEW-UHFFFAOYSA-N
-rxn:4:186194:223557,CCS(=O)(=O)n1cc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1C(=O)OC,NZGUUYIURZEQTB-UHFFFAOYSA-N
-rxn:4:186303:223574,CCCCOc1ncc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C,QMIVKHGOVGAXNS-UHFFFAOYSA-N
-rxn:4:186600:223559,COC(=O)C(c1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc1F)N(C)C,LHLHYAUDGWTPNW-UHFFFAOYSA-N
-rxn:4:186614:222656,CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)NC2CCCCC2)c(F)c1,RITQITZWNJTFIU-UHFFFAOYSA-N
-rxn:4:186719:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)N3CCCC3)cc2OC(F)F)c1,FWUDHQPWQNTTGO-UHFFFAOYSA-N
-rxn:4:186806:225173,O=C(c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2OC(F)F)c(F)c1)N1CCCC1,URVGHUWZXQUAQL-UHFFFAOYSA-N
-rxn:4:187067:223952,CCOC(=O)c1cc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)ccc1N1CCOCC1,TZCIXKMIEHBYPK-UHFFFAOYSA-N
-rxn:4:187093:222776,O=S(=O)(c1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1OC(F)(F)F)N1CCCCC1,NHTONRXEKAMRSN-UHFFFAOYSA-N
-rxn:4:187144:223892,CN1CCN(CCCOc2ccc(-c3cc(CC(=O)N4CCCC(C(F)(F)F)C4)ccc3Cl)cc2)CC1,ACYLXKZSIOSZRZ-UHFFFAOYSA-N
-rxn:4:187151:224952,O=C(Cc1ccc(F)cc1-c1cccc(CCN2CCOCC2)c1)N1CCCC(C(F)(F)F)C1,SEZZGISSGDYSNC-UHFFFAOYSA-N
-rxn:4:187154:226844,O=C(CS(=O)(=O)c1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1)N1CCC(F)(F)CC1,KTRMKVCTXIMLNF-UHFFFAOYSA-N
-rxn:4:187189:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2)c1,DRCGMRZPCUXVGY-SFHVURJKSA-N
-rxn:4:187203:222584,CC(C)(C)OC(=O)N1CC(c2ccc(Cl)cc2-c2ccc(OCCCN3CCNCC3)c(F)c2)C1,SNZWETINGPBQJK-UHFFFAOYSA-N
-rxn:4:187226:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2ccc(N(C(=O)C(C)C)C3C=CS(=O)(=O)C3)cc2)c1,IYLKUFJUCDPMBZ-UHFFFAOYSA-N
-rxn:4:187231:225823,CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cc(C(C)C)cc(C(F)(F)F)c2)cc1,SDAPVZHPTIDUIY-UHFFFAOYSA-N
-rxn:4:187266:224665,COc1c(Cl)cc(C(=O)N2CCCC(C(F)(F)F)C2)cc1-c1ccc(F)cc1CN1CCN(C)CC1,LVQRUTDNYLLZMM-UHFFFAOYSA-N
-rxn:4:187271:223183,CNS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2CN2CCC(C(F)(F)F)CC2)c(C)c1,ACWODOGTHNBKFL-UHFFFAOYSA-N
-rxn:4:187276:227976,C[Si](C)(C)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc1,OMTYUCYQDBJXNO-UHFFFAOYSA-N
-rxn:4:187302:224378,CC1CCN(CCOc2ccc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)cc2F)CC1,KEGGRXVSOZFKRD-UHFFFAOYSA-N
-rxn:4:187325:222975,COC(=O)c1cc(F)c(N2CCC(OC)CC2)cc1-c1ccc(C(=O)NC2CC2)cc1C,NIWKEBMDHDGYOF-UHFFFAOYSA-N
-rxn:4:187388:223891,Cc1cc(CC(=O)N2CCC(C(F)(F)F)CC2)ccc1-c1c(F)ccc2c1ccn2[Si](C)(C)C(C)(C)C,LVNCIVGPTGOGDH-UHFFFAOYSA-N
-rxn:4:187388:224596,COc1cc(N2CCCCC2C)ccc1-c1ccc(CC(=O)N2CCC(C(F)(F)F)CC2)cc1C,IUHFQPMYEPZABH-UHFFFAOYSA-N
-rxn:4:187412:224738,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cc(OCC3CC3)cc(C(F)(F)F)c2)cc1,ZEYDLYVLHYTWCB-UHFFFAOYSA-N
-rxn:4:187435:225286,COC(=O)C1CCN(Cc2cc(C)cc(-c3cc(F)ncc3C(=O)OC(C)(C)C)c2)CC1,MIIVMGHGRUJKOL-UHFFFAOYSA-N
-rxn:4:187463:223569,COc1ccc(N2C(=O)CSC2c2cccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c2)c(OC)c1,DHARGAMCBOWJBV-UHFFFAOYSA-N
-rxn:4:187480:222704,CCOc1cccc(-c2ccc(C3CCNCC3)c(C(F)(F)F)c2)c1CN1CCCC(C)C1,WZMAODLISXEQFX-UHFFFAOYSA-N
-rxn:4:187481:224702,COc1ccc(-c2cc(F)c(OC3CCCC3)c(F)c2C)cc1S(=N)(=O)CC1(C)CCOCC1,QCQMZVNESFEOIH-UHFFFAOYSA-N
-rxn:4:187483:223076,CCC1CCCCN1S(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)c(OC)c1,MMBKRSZNJTZDJB-UHFFFAOYSA-N
-rxn:4:187561:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1,LPBRBGDINFCLER-UHFFFAOYSA-N
-rxn:4:187561:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,KUROAPYIDKSAIK-UHFFFAOYSA-N
-rxn:4:187585:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(Cl)cc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)c(F)c2)CC1,ZKKPHTLDKOCKMP-UHFFFAOYSA-N
-rxn:4:187588:224325,CC(C)(C)OC(=O)N1CCC(F)(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2)CC1,MRAFSHKDUYCDKE-UHFFFAOYSA-N
-rxn:4:187596:223506,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2F)CC1,JOOUZGPMDJJGDR-UHFFFAOYSA-N
-rxn:4:187623:223491,CC(C)Oc1cccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c1CN1CCCCC1C,DWCDQHYPBSKWOQ-UHFFFAOYSA-N
-rxn:4:187632:223606,CC(C)(C)OC(=O)N1CCOC(C)(c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cc2)C1,DCDPGVRGTLVECI-UHFFFAOYSA-N
-rxn:4:187641:225200,O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(OC4CCCC4)c3F)cc2)CC1,IWMWLVBOLUGGAS-UHFFFAOYSA-N
-rxn:4:187661:222848,CCc1cc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cc(C2CCCNC2)n1,KQJXMFBLZUYRAO-UHFFFAOYSA-N
-rxn:4:187672:223191,CNS(=O)(=O)c1ccc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(C)(C)C)c2)cc1F,YZIYZCIBGDPDBB-UHFFFAOYSA-N
-rxn:4:187681:225977,Cc1cc(-c2cc(Cl)cnc2N2CCOCC2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,JWDDTNSGPDAKIJ-UHFFFAOYSA-N
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-rxn:4:190983:224864,CC(C)N(Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1)C(C)C,MOESTPZUTCOJGC-UHFFFAOYSA-N
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-rxn:4:191062:223148,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccccc1C1CNCCO1,WUDNFIXWSAIUDK-UHFFFAOYSA-N
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-rxn:4:191063:226313,CCOC(=O)c1cccc(-c2ccc3c(c2)OC2(CC3=O)CN(C(=O)OC(C)(C)C)C2)c1C,HXRPCORFNLZNDZ-UHFFFAOYSA-N
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-rxn:4:191109:224811,COc1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,ISQJIEZONNXKEU-UHFFFAOYSA-N
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-rxn:4:191124:226989,CCN(CC)c1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1,ANXAXLCBIPRMNB-UHFFFAOYSA-N
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-rxn:4:191194:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1ccc2c3c(cccc13)C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O,MYZMDPDIUYKYKW-UHFFFAOYSA-N
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-rxn:4:193291:224420,Cc1cc2c(cc1-c1ccc(N3CCCS3(=O)=O)c(C(F)(F)F)c1)C(C)(C)CCC2(C)C,FCLUDVPSYUIGJS-UHFFFAOYSA-N
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-rxn:4:193563:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(C)cc(S(=O)(=O)N4CCCC4)c3)c2)CC1,VGNZBDHPBIDVJV-UHFFFAOYSA-N
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-rxn:4:193611:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(F)cc3CN3CCC(F)(F)CC3)c2)CC1,GQFKLFRNLSKYPW-UHFFFAOYSA-N
-rxn:4:193627:224416,O=S1(=O)CCN(S(=O)(=O)c2ccccc2-c2cnc(C(F)(F)C(F)(F)C(F)(F)F)nc2)CC1,DQIYGPXTNUSYMT-UHFFFAOYSA-N
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-rxn:4:193664:223810,Cc1ccc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)c(CN2CCOCC2)c1,RTWZTQQBGPSHGH-UHFFFAOYSA-N
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-rxn:4:193803:223810,Cc1ccc(CN2CCCCC2)c(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)c1,QJTQOULVKIPCJH-UHFFFAOYSA-N
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-rxn:4:202310:225886,CS(=O)(=O)n1ccc2cc(-c3ccc(S(=O)(=O)N4CCCSCC4CN4CCOCC4)cc3)ccc21,OIAOQRZVAHPWRY-UHFFFAOYSA-N
-rxn:4:202311:228967,Cn1cc(-c2ccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)cc2)c(C(F)F)n1,ZOVHVEWEGOSBAL-UHFFFAOYSA-N
-rxn:4:202320:227213,CCCCSc1cncc(-c2cc(F)cc(N3CCN(O[Si](C)(C)C(C)(C)C)CC3)c2)c1,GINMZBNDXUPMSD-UHFFFAOYSA-N
-rxn:4:202321:222548,N#Cc1ccc(NC(=O)c2ccc(-c3ccc(CN4CCCC(C(F)(F)F)C4)c(N4CCCCC4)c3)cc2)cc1,OYCJEYLVRARKFC-UHFFFAOYSA-N
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-rxn:4:202337:222486,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cncc(-c5cncc(C6CCCCN6)c5)c4)o2)CC3)cc1,QQLDAIXXKWWKFR-UHFFFAOYSA-N
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-rxn:4:202698:223635,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc21,IWKPQZMLYIXZAI-UHFFFAOYSA-N
-rxn:4:202700:222495,O=C(Nc1cccc(-c2ccc(CC(=O)N3C4CCC3CC(N3C(=O)CCC3=O)C4)cc2)c1F)OCc1ccccc1,KEHVYLZXTZEKMF-UHFFFAOYSA-N
-rxn:4:202717:223648,CN(C)c1ccc(C2SCCN2C(=O)c2cc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)ccc3oc2=O)cc1,HUISYUFKIBLHSI-UHFFFAOYSA-N
-rxn:4:202722:222784,COc1cc(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2)cc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)oc12,UAPWXCJUGUMOMK-UHFFFAOYSA-N
-rxn:4:202757:224285,CC(C)c1ccc(N2C(=O)N(Cc3cccc(-c4ccc(OCCN5CCOCC5)cc4F)c3)c3ccccc3S2(=O)=O)cc1,VXFJILYAWIYVFN-UHFFFAOYSA-N
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-rxn:4:202805:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)c1,HXAINADBZNVLFS-UHFFFAOYSA-N
-rxn:4:202863:223498,CCOC(=O)c1n[nH]cc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1,USWMBNRBRCOWMV-UHFFFAOYSA-N
-rxn:4:202996:223660,CCOC(=O)c1nn(C)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)s1,JNDKLNIHHRKPSO-UHFFFAOYSA-N
-rxn:4:203613:223590,COC(=O)c1nc(N2CCC(F)(F)C2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,CFQILQCBZMWCEO-UHFFFAOYSA-N
-rxn:4:203613:224663,COC(=O)c1nc(N2CCC(F)(F)C2)ccc1-c1ccc(CN2CCN(C)CC2)c(F)c1,QOWOIQMWRJKHCF-UHFFFAOYSA-N
-rxn:4:203639:223784,CCN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)NN4CCSCC4)cc3)cc2F)CC1,PURMWBZSBGNXNO-UHFFFAOYSA-N
-rxn:4:203639:224015,Cc1cc(F)c(-c2ccc(S(=O)(=O)NN3CCSCC3)cc2)cc1S(=O)(=O)N1CCOCC1,XXJOHOMLURINIY-UHFFFAOYSA-N
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-rxn:4:203815:223959,CCN1CCN(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3CCN(CC)CC3)ccc2Cl)CC1,IVNNPUBWLYOGFI-UHFFFAOYSA-N
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-rxn:4:203840:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(C(=O)CC3C(=O)N(C)C(=O)N(C)C3=O)cc2)c1,QEPILCLYLBFIAU-UHFFFAOYSA-N
-rxn:4:203868:223682,CCN1CCN(Cc2cc(F)cc(-c3c(C(F)(F)F)ccc4c3cnn4C3CCCCO3)c2)CC1,ITLMICXGIIJHTR-UHFFFAOYSA-N
-rxn:4:203880:222583,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)n2)C1,IDRNIQHSYYRNJR-UHFFFAOYSA-N
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-rxn:4:203895:222696,CCS(=O)(=O)N1CCN(c2ccccc2-c2ccc(F)c(C(=O)N3CCC(O)CC3)c2)CC1,QPMMDWBEZCTPAC-UHFFFAOYSA-N
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-rxn:4:213176:224818,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)c2)CC1,MRDWEBMVRUXDJL-UHFFFAOYSA-N
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-rxn:4:213373:223997,Cc1cc(-c2cccnc2OC2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,MYBJPOVKLYXTFD-UHFFFAOYSA-N
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-rxn:4:213714:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1c[nH]c([C@@H]2CCCN2C(=O)OC(C)(C)C)n1,WJIMHEIHWZAUKI-NRFANRHFSA-N
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-rxn:4:213756:222887,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccc(C(=O)N4CCNCC4)c3)s2)CC1,KHFSNRXOVAFKHD-UHFFFAOYSA-N
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-rxn:4:213951:224416,Cn1cncc1C1CCN(C(=O)Cc2ccc(-c3cnc(C(F)(F)C(F)(F)C(F)(F)F)nc3)cc2)CC1,GPJWNFUIDWUQCR-UHFFFAOYSA-N
-rxn:4:213955:222480,Cc1cccc(NC(=O)c2cc(-c3cnc(OC4CCN(C(=O)C5CC=CCC5)CC4)nc3)ccc2F)c1C,ZZFXZCFKAGFXNG-UHFFFAOYSA-N
-rxn:4:213971:227480,CCCOc1nccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1Cl,OWWKVQLDLMHQPD-UHFFFAOYSA-N
-rxn:4:213984:223505,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,PSENJSBNKCCEER-UHFFFAOYSA-N
-rxn:4:213999:222546,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cn1,OYVVQTZFWSKJOX-UHFFFAOYSA-N
-rxn:4:213999:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)c1,WNCOFIRIYQIZHS-UHFFFAOYSA-N
-rxn:4:214002:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCC(Cn4ccnc4C)CC3)cc2)CC1,UWIQMSXSRKOKCH-UHFFFAOYSA-N
-rxn:4:214012:223063,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(F)nc(C3CCNCC3)c2)CC1,PFMNBCDAVPPPNV-UHFFFAOYSA-N
-rxn:4:214021:224167,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3-c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)C2)n1,DDEBUJFXSKDNOT-UHFFFAOYSA-N
-rxn:4:214024:227475,CCOC(=O)c1cncc(-c2cnc(OC3CCN(C(=O)C4CCC(F)(F)CC4)CC3)nc2)c1,SCUZUOBCFBQOPP-UHFFFAOYSA-N
-rxn:4:214027:226231,CCCCOc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc1C,FQWHZQALDOKFHP-UHFFFAOYSA-N
-rxn:4:214031:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)N3CCCC(c4nnc(-c5ccccc5F)s4)C3)c(F)c2)CC1,KRRXSQWNNDHKET-UHFFFAOYSA-N
-rxn:4:214033:222639,CC(C)[C@H]1COC(c2cc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,OMNRCMONOLFZJN-AFWDCEBSSA-N
-rxn:4:214033:227860,CC(C)[C@H]1COC(c2cc(-c3ccc4c(c3)CCN4C)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,MEYVTLKVSHHLLA-DHIUTWEWSA-N
-rxn:4:214033:227908,CC(C)Cc1ncccc1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,KCSUUDJSDKOJCD-DNQXCXABSA-N
-rxn:4:214034:222669,O=C(Nc1cccc(Cl)c1)c1cccc(-c2cccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c2)c1,PRDPUXJWNAYHPH-UHFFFAOYSA-N
-rxn:4:214048:226675,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2C)ncc1-c1cnc(C2CCCC2)nc1Cl,JFCKOOVHMDTLQS-UHFFFAOYSA-N
-rxn:4:214049:226511,N#CC1CCN(Cc2ccc(-c3cc(Cl)cnc3OCC3CC3)cc2N2CCCCC2)CC1,MFGXRZYMGPCUMJ-UHFFFAOYSA-N
-rxn:4:214051:223148,CC(C)c1sc(-c2ccccc2C2CNCCO2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,AKVLFMFTADTQAG-UHFFFAOYSA-N
-rxn:4:214058:226476,CCCCOc1ncc(-c2cncc(C(=O)N3CCC(N4CCC(OC)CC4)CC3)c2)cc1Cl,OSMOEQMHXANVFK-UHFFFAOYSA-N
-rxn:4:214062:224956,CCN1CCN(Cc2ccc(-c3cccc(O[Si](C)(C)C(C)(C)C)c3)cc2N2CCOCC2)CC1,NNONLZGWGUTNID-UHFFFAOYSA-N
-rxn:4:214074:223169,Cc1nn(S(=O)(=O)c2ccc(-c3cnc(C4CCNCC4)nc3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,NBKWZPGTMCHYHX-UHFFFAOYSA-N
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-rxn:4:214078:225252,CCOC(=O)c1cn2cc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCCC4)c3)ccc2n1,BGNMUNUEYHRQSX-UHFFFAOYSA-N
-rxn:4:214144:223098,CC(=O)NS(=O)(=O)c1ccc(-c2c(C#N)cnc3c2CCN(C(=O)OC(C)(C)C)C3)cc1,FHHMCWHJXKJZDZ-UHFFFAOYSA-N
-rxn:4:214146:223030,CC(C)OC(=O)Nc1cccc(-c2c(C(F)(F)F)nc3n2CCN(C(=O)OC(C)(C)C)C3)c1,KEVVJXYQXSDOSO-UHFFFAOYSA-N
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-rxn:4:214147:223079,CC(C)NS(=O)(=O)c1cccc(-c2nc(C(F)(F)F)c3n2CCN(C(=O)OC(C)(C)C)C3)c1,DPONGCKPMRTXPH-UHFFFAOYSA-N
-rxn:4:214231:225882,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(Cl)c(C5CCOCC5)c4)cccc3n2)C1,CTOSNXNVDHICTN-UHFFFAOYSA-N
-rxn:4:214267:224316,COc1ccc(C(=O)N2CCN(c3nc4ccc(-c5cc(F)cc(C(=O)N6CCN(C)CC6)c5)cc4s3)CC2)cc1,VCKMLRJQGJHLPT-UHFFFAOYSA-N
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-rxn:4:218896:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cncc(F)c5)C4)nc3)cc2)CC1,GSRIXAADAUSDJX-UHFFFAOYSA-N
-rxn:4:218898:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCN(C(=O)c5ccncc5F)CC4)nc3)c2)CC1,QBUVNMZCRGUDNN-UHFFFAOYSA-N
-rxn:4:218921:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3ccccc3CCC(=O)N3CCN(c4ncc(F)cn4)C(=O)C3)cc2C1,ILDFVRUSLISQSZ-UHFFFAOYSA-N
-rxn:4:218944:226691,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCCC4)c3)cc2[N+](=O)[O-])CC1,MPHPPBOERNTGGI-UHFFFAOYSA-N
-rxn:4:218944:228280,COc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(C)cc1Cl,NKXBOTMKSNPXAD-UHFFFAOYSA-N
-rxn:4:218964:226017,COc1cc(-c2cnn(CC3CN(C(=O)C4CCN(C(C)=O)CC4)C3)c2)ccc1OC(F)(F)F,JWSALLSWYRJGGY-UHFFFAOYSA-N
-rxn:4:218982:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cncc(C(=O)N4CCC(N5CC(=O)N(CC(F)(F)F)C5=O)CC4)c3)c(F)cn2)CC1,OZQZVERHFZSYMO-UHFFFAOYSA-N
-rxn:4:218987:223482,CSc1ccc(-c2noc(Cn3nc(-c4ccccc4-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)ccc3=O)n2)cc1,BLFMAYZDHOVGCR-UHFFFAOYSA-N
-rxn:4:218991:223591,Cn1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,GTIJNBVJWPWZFY-UHFFFAOYSA-N
-rxn:4:218992:223352,CC(C)Nc1ccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)cn1,UBQLMGRJBWAGRL-UHFFFAOYSA-N
-rxn:4:219029:228905,COc1ncc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)cnn2C)cc1Cl,YQLCZGBHALMCSG-UHFFFAOYSA-N
-rxn:4:219040:223814,O=C(c1cncc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c1)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1,WSSHXCUAAAGOCE-UHFFFAOYSA-N
-rxn:4:219057:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(CC(=O)N4CCN(c5cc(-c6ccc(Cl)cc6)n[nH]5)CC4)cc3)c2)CC1,CRBRARLCPQCYHB-UHFFFAOYSA-N
-rxn:4:219107:222636,CCC(=O)C1=C(c2ccc(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cc2)N(C(=O)CC)n2c(C)nnc2S1,NKGHICNUVRTTGR-GOSISDBHSA-N
-rxn:4:219144:222480,Cc1cccc(NC(=O)c2cc(-c3cnc(OC4CCN(CCN5C(=O)c6ccccc6C5=O)CC4)nc3)ccc2F)c1C,TWXXSFXWEICFFP-UHFFFAOYSA-N
-rxn:4:219188:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1c(-c2ccccc2)nn2cc(CCN3CCOCC3)c(-c3ccc(F)cc3)nc12,YOJYGOJHAHLVKE-UHFFFAOYSA-N
-rxn:4:219256:223728,CCCCCC1CCC(c2ccc(-c3cc(F)ccc3CC(=O)N3CC(n4nccn4)C3)c(F)c2)CC1,ZXDASOWSYPYWOY-UHFFFAOYSA-N
-rxn:4:219312:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nccs5)C4)nc3)c(F)cc2C)CC1,WLHVXCKDCZLUAU-UHFFFAOYSA-N
-rxn:4:219353:222604,COc1ccc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cc1S(=O)(=O)NC1CCCC1,LACJQPUKHAVRCQ-UHFFFAOYSA-N
-rxn:4:219364:222634,O=C(c1cncc(-c2ccc(OCCNC3CCCC3)c(F)c2)c1)N1CCCC(Oc2ncc(Cl)cn2)C1,RPPLDFOXKAOKSK-UHFFFAOYSA-N
-rxn:4:219453:222433,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnn(CC2CN(C3CCN(C(C)C)C3=O)C2)c1,DLUCOHDCYDBOGT-UHFFFAOYSA-N
-rxn:4:219453:223639,CC(C)N1CCC(N2CC(Cn3cc(-c4ccc(N5CCN(Cc6ccccc6)CC5)nc4)cn3)C2)C1=O,NFBKBXCNMRMJJJ-UHFFFAOYSA-N
-rxn:4:219462:223035,CC(C)(C)C(=O)Nc1ncccc1-c1cnc(OC2CCCN(S(=O)(=O)N3CCCC3)C2)nc1,UUOOFICRENJHDE-UHFFFAOYSA-N
-rxn:4:219475:222818,COC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)c(F)cc1NC(C)=O,IFHYGQGGWDPFIA-UHFFFAOYSA-N
-rxn:4:219475:224593,CC1CCN(Cc2cc(-c3cccnc3OC3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)ccc2F)CC1,JHTGLQGUBMNFHA-UHFFFAOYSA-N
-rxn:4:219479:226654,CC1CCN(c2nc(-c3ccc(Cl)c(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)c3)cs2)CC1,IYJZVDLEMDMXAY-UHFFFAOYSA-N
-rxn:4:219487:223744,CCCCOc1c(C)cccc1-c1ncccc1-c1cnc(N2CCCN(C(=O)OC(C)(C)C)CC2)cn1,LQGFHQGSWBHYNP-UHFFFAOYSA-N
-rxn:4:219497:225301,N#Cc1cc(-c2cc(OC3CCOCC3)ncc2F)cnc1N1CCOC(C(=O)N2CCCCC2)C1,VOHZLQPEPTXUDK-UHFFFAOYSA-N
-rxn:4:219498:223787,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,KNSPBGIKVFRVMT-UHFFFAOYSA-N
-rxn:4:219499:227500,CCN(C)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)cc1Cl,DWBCOSFGLSMRKY-UHFFFAOYSA-N
-rxn:4:219500:225160,N#Cc1cc(-c2ccc(Cl)c(C(=O)N3CCCC3)c2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,LDHJJKRXKPKZRU-UHFFFAOYSA-N
-rxn:4:219502:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(N(C)c5ccccn5)CC4)c3)cc2)C1,CYSIMXKQEBURFV-UHFFFAOYSA-N
-rxn:4:219518:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CCN4CCN(c5ccc(C)nn5)CC4)cc3)cc2)CC1,RPKKOLVYUXRDKJ-UHFFFAOYSA-N
-rxn:4:219531:228421,COc1cc(Cl)cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)c1F,XQFJBRKCFULXSX-UHFFFAOYSA-N
-rxn:4:219551:222634,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)C1=O,PRXUIOMFFMHKEZ-UHFFFAOYSA-N
-rxn:4:219560:222944,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)NC4CC4)cc3F)CC2)cn1C,WSICWHNQPSETDW-UHFFFAOYSA-N
-rxn:4:219565:223168,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cccnc4N4CCNCC4)cc3)CC2)n1,DYSFEHLTYGJDGV-UHFFFAOYSA-N
-rxn:4:219565:223184,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCNCC5)nc4)cc3)CC2)n1,JICGNZRIGJTXIX-UHFFFAOYSA-N
-rxn:4:219581:222519,CC#CCn1c(=O)c2c(nc(-c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)n2CC#CC)n(C)c1=O,CPENGCHZGQCSKS-UHFFFAOYSA-N
-rxn:4:219589:223945,CCCCCn1c(-c2ccc(OCCCN3CCOCC3)c(F)c2)nc2c1c(=O)n(C)c(=O)n2C,NTUCFYWGKUYFTN-UHFFFAOYSA-N
-rxn:4:219624:224425,CCCC1CCC(c2ccccc2-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)o2)CC1,FISIULXDQQBSLD-UHFFFAOYSA-N
-rxn:4:219649:224821,COc1ccc(-c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)c(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)c1,JTUYHWABPLLTEU-UHFFFAOYSA-N
-rxn:4:219662:222639,CC(=O)C(C)n1c(-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C,QFJRONNSRLFCDW-ZENAZSQFSA-N
-rxn:4:219692:224176,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OCCSC4CCOCC4)cc3)c3cnc(Cl)nc32)CC1,GZTRRRYMTKWSFX-UHFFFAOYSA-N
-rxn:4:219710:225258,CCOC(=O)COc1cc(Cl)cc(-c2ccc(N3N=NC4C(=O)N(c5cc(OC)cc(OC)c5)C(=O)C43)cc2C)c1,RYKZYSMHNSIPLP-UHFFFAOYSA-N
-rxn:4:219767:224198,CCN1CCN(Cc2ccc(-c3ccc(CSc4nc(=O)n(N5CCN(C)CC5)c5c4CCC5)cc3)c(F)c2)CC1,RYZFRYWACQQGAT-UHFFFAOYSA-N
-rxn:4:219853:224197,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)cc2F)CC1,FTOHLIYJXGKYEQ-UHFFFAOYSA-N
-rxn:4:219876:224718,CCN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCN3CCOCC3)nc2)CC1,YNSAJWOPKVQUDQ-UHFFFAOYSA-N
-rxn:4:219891:222439,CN1CCC(N2CC(Cn3cc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4C(F)(F)F)cn3)C2)C1=O,KQSZXKLWXHEZOT-UHFFFAOYSA-N
-rxn:4:219904:225233,CC1CCCN(c2cc(-c3cnc(C4CCN(S(=O)(=O)N(C)C)CC4)cn3)cnc2Cl)C1,MEMDIKUJGQWNSD-UHFFFAOYSA-N
-rxn:4:219908:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(-c2nc(C#N)c(N3CCCN(C)CC3)o2)o1,ZEVNUCRIWJYHNE-UHFFFAOYSA-N
-rxn:4:219960:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(c5ccc(C)nn5)CC4)cc3)cc2)CC1,FHYGRHICIHXTOL-UHFFFAOYSA-N
-rxn:4:219961:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(C(=O)N4CCN(c5ccc(C)nn5)CC4)c3)c2)CC1,STODTBPRXOYXFR-UHFFFAOYSA-N
-rxn:4:219961:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCN(c5ccc(C)nn5)CC4)c3)cc2)CC1,IUFTUTISCSHNPV-UHFFFAOYSA-N
-rxn:4:220021:222513,CCCC(=O)N1CCn2nc(-c3cc(S(=O)(=O)NC4CCCCC4)ccc3OC)nc2C1,TWFRGSJBSQBXIJ-UHFFFAOYSA-N
-rxn:4:220041:224360,COC(=O)c1ccc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)n1C(=O)OC(C)(C)C,RDEMLNARJBRRPZ-UHFFFAOYSA-N
-rxn:4:220049:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cn(CCN4CCOCC4)c4ncnc(Cl)c34)cnc2C1,ZMEMLDXXAFLCTE-UHFFFAOYSA-N
-rxn:4:220136:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc4ncnc(N5CCN(S(=O)(=O)C6CC6)CC5)c4c3)cc2)CC1,ZOVYLUOATBYDLY-UHFFFAOYSA-N
-rxn:4:220158:223753,Cc1ccc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)cc1OCCCN1CCN(C)CC1,HEFGTZHNVAOCGX-UHFFFAOYSA-N
-rxn:4:220158:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)CC1,UKEOGWMNQJZRKD-UHFFFAOYSA-N
-rxn:4:220267:223550,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(-c5ccccc5COc5c(C(C)C)cccc5C(C)C)cc4)c4ccccc4N23)c1C,AXAQQJZHZMDMOV-UHFFFAOYSA-N
-rxn:4:220429:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,SRFRYTYJFIBJFW-UHFFFAOYSA-N
-rxn:4:220429:224999,CC(c1ccc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)cc1)N1CCOCC1,IQSSZXYRQWNUQW-UHFFFAOYSA-N
-rxn:4:220507:223602,CN1CCN(C(=O)c2cnc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn23)CC1,FMFHCXWDEFJMFL-UHFFFAOYSA-N
-rxn:4:220537:222628,c1cc2nc(N3CCN(C4CCC4)CC3)ncc2cc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,LEBQSEHOXCUSHT-UHFFFAOYSA-N
-rxn:4:220935:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc4ccc(N5CCOCC5)nn34)c2Cl)CC1,FFJFBKDAWDJKFV-UHFFFAOYSA-N
-rxn:4:221103:224326,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)c(C)c4)cn3)C2)cn1,NKRJRKRUHXBPMT-UHFFFAOYSA-N
-rxn:4:221141:223970,CSc1ncc(C#N)c(N2CCC(Oc3ccncc3-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)C2)n1,JKERUSJYWFVIOJ-UHFFFAOYSA-N
-rxn:4:221148:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5ncccc5C#N)C4)nc3)ccc2OC)CC1,NNZNHXYVHUOXKH-UHFFFAOYSA-N
-rxn:4:221151:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cnccn5)C4)nc3)cc2)CC1,LXFPGFXXGVGWJZ-UHFFFAOYSA-N
-rxn:4:221153:223581,COC(=O)c1cccc2cc(-c3cnc(N4CCCC(COc5cc(C#N)ccn5)C4)nc3)n(C(=O)OC(C)(C)C)c12,OVSUNNXUTQYFAO-UHFFFAOYSA-N
-rxn:4:221174:223504,Cn1nc(-c2ccccc2)cc1C(=O)N1CC(Cn2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)cn2)C1,HKQUQZNYOSHXSM-UHFFFAOYSA-N
-rxn:4:221179:225114,CC(C)(C)[Si](C)(C)OCc1cc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)cs1,SXQUNCGAZOZENN-UHFFFAOYSA-N
-rxn:4:221180:223787,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)nn1C,UEFVSLKCMDQCND-UHFFFAOYSA-N
-rxn:4:221180:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5cc(C)n(C)n5)CC4)nc3)c(F)c2)CC1,RJXNKCCUHXFYBM-HCGLCNNCSA-N
-rxn:4:221219:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(c5ncnc6cc(OC)c(OC)cc56)C4)c3)c(F)cc2C)CC1,MGXQVJYJIWDMAS-UHFFFAOYSA-N
-rxn:4:221230:224820,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn3)C1)CCC2,QFLOVDILNKSWHG-UHFFFAOYSA-N
-rxn:4:221232:222588,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCN5CCC(O)CC5)c(F)c4)cn3)C1)CCOC2,WBUDROOFWPFHHO-UHFFFAOYSA-N
-rxn:4:221240:225911,COC(=O)c1cc(-c2cnc(OCC3CCCN(Cc4c5c(nn4C)CCC5)C3)nc2)c(Cl)cc1OC,DSYNCNYJXFXARH-UHFFFAOYSA-N
-rxn:4:221252:224493,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1,PDGMZDFKNRPLCY-UHFFFAOYSA-N
-rxn:4:221334:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(Cl)c(C(=O)N4CC(c5nc(-c6ncccn6)no5)C4)c3)c2)CC1,DYFKFCOJNZMKJH-UHFFFAOYSA-N
-rxn:4:221334:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cl)c(C(=O)N4CC(c5nc(-c6ncccn6)no5)C4)c3)ccc2OC)CC1,IMSHWCKBOXFBDI-UHFFFAOYSA-N
-rxn:4:221347:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cnc(OCC3CCN(c4ncc(F)cn4)CC3)nc2)cc1,VARUCRQLLYQDLU-UHFFFAOYSA-N
-rxn:4:221351:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)cc2F)CC1,WCVUHRJZTQAWFR-UHFFFAOYSA-N
-rxn:4:221351:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)c2)CC1,CZONSUBFRRHRAW-UHFFFAOYSA-N
-rxn:4:221369:222612,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cn3)C2)ccc1=O,FBZIPJZXSJKBHE-UHFFFAOYSA-N
-rxn:4:221372:222584,CN(C)c1cnnc(N2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)o3)CC2)c1,ZIICAKWVNVZMSH-UHFFFAOYSA-N
-rxn:4:221374:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(OCC4CCCN(c5nccn(C)c5=O)C4)nc3)c2)CC1,JQZBOVWQFFSDLR-UHFFFAOYSA-N
-rxn:4:221389:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1cnc(OCC2CCCN(c3ncnc(C)c3C)C2)nc1,UMLYKHSZYWWICK-UHFFFAOYSA-N
-rxn:4:221398:224891,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4cc(N5CCCC5)ccc4C4CC4)cn3)CC2)CC1,SLKVHODUJGSVTO-UHFFFAOYSA-N
-rxn:4:221414:226794,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4cnc(N5CCSCC5)nc4)c3)CC2)cn1C,CTYBUGVOYXWPKH-UHFFFAOYSA-N
-rxn:4:221424:225295,O=S(=O)(c1ccccc1-c1cccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1)N1CCCC1,FDNRGPWGPJTJCV-UHFFFAOYSA-N
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-rxn:4:221435:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc(C(=O)N4CCN(c5ccc(N6CCCCC6)nn5)CC4)c3)c2)CC1,DBHORSFQDIXXHU-UHFFFAOYSA-N
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-rxn:4:222054:225124,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccnc(OCC6CCOCC6)c5)o4)CC3)nn2)CC1,RAMVKFDKMQDHMO-UHFFFAOYSA-N
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-rxn:4:222062:224819,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3)CC2)n1,AINZUTGSTRCFFC-UHFFFAOYSA-N
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-rxn:4:222156:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)c2)CC1,FSAUDJWDTGYQCG-UHFFFAOYSA-N
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-rxn:4:222289:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)nc1,GGJFBAYFCQCEDU-UHFFFAOYSA-N
-rxn:4:222329:222807,O=C(NC1CC1)c1cc(-c2cnc(N3CCN(c4nccc(N5CCCC5)n4)CC3)nc2)cc([N+](=O)[O-])c1,BYFOUYWGIOTSMM-UHFFFAOYSA-N
-rxn:4:222332:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1,UCNPMYLEQIUAAU-UHFFFAOYSA-N
-rxn:4:222337:222833,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cccc(NC(=O)CCC(C)C)c4)cn3)CC2)n1,ZOPSAAOJDGCHOL-UHFFFAOYSA-N
-rxn:4:222367:222895,CCCCS(=O)(=O)Nc1ccc(-c2cnc(N3CCN(c4ncnc5c4ncn5CC4CCCO4)CC3)nc2)cc1,DHAUXUAHDOYWQQ-UHFFFAOYSA-N
-rxn:4:222367:223872,CCN(C(=O)c1cccc(-c2cnc(N3CCN(c4ncnc5c4ncn5CC4CCCO4)CC3)nc2)c1)C1CCCCC1,PDFZJZJDKOBMFY-UHFFFAOYSA-N
-rxn:4:222367:225209,Cc1nc(N2CCCCC2C)ncc1-c1cnc(N2CCN(c3ncnc4c3ncn4CC3CCCO3)CC2)nc1,HXDPFCOBRKLFQV-UHFFFAOYSA-N
-rxn:4:222383:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ncnc6c5ncn6C)CC4)nc3)c(F)cc2C)CC1,BWIHORYNADVKRI-UHFFFAOYSA-N
-rxn:4:222460:204055,COc1cc(NS(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCN(C5CCSC5)CC4)o3)cc2)ccc1F,WMBRUYJOQXMAMK-UHFFFAOYSA-N
-rxn:4:222520:187121,CCN(C(=O)c1ccc(-c2ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c2)cc1)C1CCS(=O)(=O)C1,KBWGZDKHYHZCCO-UHFFFAOYSA-N
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-rxn:4:222613:204029,CCCNS(=O)(=O)c1ccc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3C)cc2)c(C(F)(F)F)c1,QEDKHIVTTFJYMZ-UHFFFAOYSA-N
-rxn:4:222712:184093,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3F)cc2)C2CCS(=O)(=O)C2)cc1,NRNHHHIYTDMHLE-UHFFFAOYSA-N
-rxn:4:222723:213968,Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)c1,LORFDSPVFQGPTF-UHFFFAOYSA-N
-rxn:4:222751:187226,Cc1ccc(-c2ccc(N(C(=O)C(C)C)C3C=CS(=O)(=O)C3)cc2)cc1NC(=O)OC(C)(C)C,GYEPRSFXRNUDTM-UHFFFAOYSA-N
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-rxn:5:177891:225886:226665,CS(=O)(=O)n1ccc2cc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3cnc(C4CCCOC4)nc3)ccc21,LRXVIIRKDNFGDT-UHFFFAOYSA-N
-rxn:5:177891:226177:227505,O=C(SC1CS(=O)(=O)CC1c1ccc(/C=C/[N+](=O)[O-])cc1)c1ccccc1-c1ccnc(C2CCCCC2)c1,FDIGNZYQFOXKAT-BMRADRMJSA-N
-rxn:5:177891:226183:223286,CS(=O)(=O)Nc1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnccc2C2CCCCC2)c1,GIXBZHZVJPHAPP-UHFFFAOYSA-N
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-rxn:5:177891:226643:228306,CC(C)Sc1ncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCOCC3)nc2)cn1,CHZJDAPUALLFMK-UHFFFAOYSA-N
-rxn:5:177891:226649:223139,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCNCC2)nc1)c1ccccc1-c1cccnc1N1CCOCC1,GJUNKNGIPNBJHG-UHFFFAOYSA-N
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-rxn:5:177891:226649:228695,CN(C)Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2N2CCOCC2)cs1,JAKKINRYICGMDV-UHFFFAOYSA-N
-rxn:5:177891:226665:225440,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnc(C4CCCOC4)nc3)cc2)CCCC1,SVUXXLIRORNLSW-UHFFFAOYSA-N
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-rxn:5:177891:227654:226729,O=C(SC1CS(=O)(=O)CC1c1cnc(OC2CCOC2)nc1)c1ccccc1-c1ccc(C2OCCO2)nc1,AAQDFBIMKRZPDJ-UHFFFAOYSA-N
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-rxn:5:177891:228063:226330,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc3c(c2)COCC3)s1)N1CCCC1,VRNQLUIXNUKGPG-UHFFFAOYSA-N
-rxn:5:177891:229016:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccsc2C2CC2)s1)N1CCOCC1,GZQFWGDATZDWSR-UHFFFAOYSA-N
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-rxn:5:178295:223132:228219,COC(=O)C1(c2cc(-c3cnc(C(C)C)cc3F)ccc2-c2cccc(N3CCNCC3)c2)CCC(=O)CC1,AJBHNXYLFNLKBX-UHFFFAOYSA-N
-rxn:5:178295:226925:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2cc(C3CC3)cc(C)c2C)CCC(=O)CC1,DNEYJQDAVFNMFB-UHFFFAOYSA-N
-rxn:5:178295:227076:227106,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C4CC4)c(C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,URRFLBXMJRSHIZ-UHFFFAOYSA-N
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-rxn:5:178295:227309:227976,CCC(C)c1cc(-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,OFKJUVQDVIUQGR-UHFFFAOYSA-N
-rxn:5:178295:227506:223134,COC(=O)C1(c2cc(-c3cnccc3C3CCCNC3)ccc2-c2cccc(/C=C/[N+](=O)[O-])c2)CCC(=O)CC1,OMEKBRDROZJLGN-SFQUDFHCSA-N
-rxn:5:178295:227525:227068,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(CC(C)C)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,DBSLECYXHORPEZ-UHFFFAOYSA-N
-rxn:5:178295:227769:228236,COC(=O)C1(c2cc(-c3ccnc(F)c3C3CC3)ccc2-c2cc([N+](=O)[O-])cnc2OC)CCC(=O)CC1,BODXFSNQRJNIIN-UHFFFAOYSA-N
-rxn:5:178295:227832:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2ccc(C3CC3)cc2C)CCC(=O)CC1,YFBVGVGJVYYYRR-UHFFFAOYSA-N
-rxn:5:178295:228338:228253,COC(=O)C1(c2cc(-c3ccc(P(C)(C)=O)cc3)ccc2-c2cnc(OC3CCC3)s2)CCC(=O)CC1,CFEJLELOIPXFLE-UHFFFAOYSA-N
-rxn:5:178295:228431:227713,COC(=O)C1(c2cc(-c3cc(F)ccc3OC(F)F)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,KKMCWNTUHIPFFR-UHFFFAOYSA-N
-rxn:5:178295:228562:226917,CCC(C)c1csc(-c2ccc(-c3cc(C)cc(C(C)(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ITKOKYBHQUNPFA-UHFFFAOYSA-N
-rxn:5:178295:228713:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2ccn(C(C)(C)C)n2)CCC(=O)CC1,VRYFQWJONRZQHH-UHFFFAOYSA-N
-rxn:5:178313:225394:227076,CCC(C)c1ccc(F)c(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cc(C3CCC3)cc(C3CC3)c2)c1,KXNLMNTZBJMXRH-UHFFFAOYSA-N
-rxn:5:178313:225453:227589,Cc1cc(OC(F)F)cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cccc(SC3CCCCC3)c2)c1,NRCOVAQJEYGBGA-UHFFFAOYSA-N
-rxn:5:178313:226064:226842,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCC3)cc2)c(-c2cncc(C(=O)C(F)(F)F)c2)c1,GCIIBCOBUIPPHC-UHFFFAOYSA-N
-rxn:5:178313:227089:225407,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccncc2C2CCCC2)c(-c2ccc(C3CCCCCC3)cc2)c1,UFVWGACKDUFMCD-UHFFFAOYSA-N
-rxn:5:178314:226146:226150,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCC3)cc2)ccc1-c1cccc(SC2CCCC2)c1,VCNIJCCXZDKEHO-UHFFFAOYSA-N
-rxn:5:178314:227048:225407,CC(C)C(=O)c1ccc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(O[Si](C)(C)C(C)(C)C)c2)cc1,YLJFHJGTDKCYLT-UHFFFAOYSA-N
-rxn:5:178314:227085:225499,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCC3)nc2)ccc1-c1ccc(C2CCCCC2)cc1F,CXEJKCVGSSTRRS-UHFFFAOYSA-N
-rxn:5:178314:227735:225941,Cc1ncc(-c2ccc(-c3cnc(C4CC4)c(C(F)(F)F)c3)c(O[Si](C)(C)C(C)(C)C)c2)cc1C(F)(F)F,VVRFTBGHVGHMCL-UHFFFAOYSA-N
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-rxn:5:178315:225507:227045,COC(=O)C1CCc2cc(-c3cc(O[Si](C)(C)C(C)(C)C)cc(-c4cccc(SC(C)(C)C)c4)c3)ccc21,NCMHOJIRHWYRSD-UHFFFAOYSA-N
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-rxn:5:178315:226067:226176,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCCC3)cc2)cc(-c2ccncc2C2CCCCC2)c1,UVEJCQHFSMBHDZ-UHFFFAOYSA-N
-rxn:5:178466:223002:225871,CC(C)OC(=O)c1sc2cc(-c3ccc(C4CCNCC4)cc3F)ccc2c1-c1cccc(N2C(=O)C=CC2=O)c1,MDLAOHJTNRESDG-UHFFFAOYSA-N
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-rxn:5:178467:223141:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cncc(C4CCNCC4)c3)c2OC1,WWQXDSWEQFIHTC-UHFFFAOYSA-N
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-rxn:5:178467:223281:222987,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3C)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,OIFHMBKNASKTCS-UHFFFAOYSA-N
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-rxn:5:178467:225454:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3ccc(C4=CCN(C)CC4)cc3)c2OC1,AXZOFFKHWQAGDH-UHFFFAOYSA-N
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-rxn:5:178467:227613:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cnn(C4CCOCC4)c3)c2OC1,AMTRCHFHAWNSFW-UHFFFAOYSA-N
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-rxn:5:180662:222987:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccc(C4CCNCC4)nc3C)c2OC1,RZHORHGTAQHEFQ-UHFFFAOYSA-N
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-rxn:5:180662:227710:223062,COC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,ZVDWOZSBIYNAMU-UHFFFAOYSA-N
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-rxn:5:181907:225437:226686,Cc1cc(-c2cccc(CN3CCCCC3)c2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,ZOKZNQPAIJJXMU-UHFFFAOYSA-N
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-rxn:5:182013:225784:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(CN3CCOCC3)nc2)cc1C1CCOCC1,IFJUXWZHMBFTIU-UHFFFAOYSA-N
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-rxn:5:188868:225982:226662,CC(C)OC(=O)c1ccnc(-c2ccc(N3CCN(C)CC3)s2)c1-c1cnc(N2CCOCC2)cc1F,YZAFXVYCQMJBHB-UHFFFAOYSA-N
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-rxn:5:189078:225978:225980,CCN(C)C(=O)c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1cc(N2CCOCC2)ncc1F,YKAGAQRWHDSSOX-UHFFFAOYSA-N
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-rxn:5:189079:226426:225982,CCN(C)C(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)c(-c2ccc(N3CCC(C)CC3)s2)c1,WCUJPZKQCPNQQF-UHFFFAOYSA-N
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-rxn:5:189079:226654:225978,CCN(C)C(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,SWBNWEZJBOYVRU-UHFFFAOYSA-N
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-rxn:5:189079:226661:225834,CCN(C)C(=O)c1ccc(-c2cc(N3CCCCC3)ncc2F)c(-c2cc(N3CCN(C)CC3)cs2)c1,KNFMDKYHCZSYRZ-UHFFFAOYSA-N
-rxn:5:189080:226044:226052,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(CC(=O)N(C)C)c(-c2c(F)ccc(OC(F)(F)F)c2F)c1,OATWRKDRFDTESH-UHFFFAOYSA-N
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-rxn:5:189083:225978:225976,CCN(C)C(=O)c1cccc(-c2ccc(N3CCOCC3)nc2F)c1-c1ccnc(N2CCOCC2)c1F,ZFCQXBWHARAZBD-UHFFFAOYSA-N
-rxn:5:189083:225978:226662,CCN(C)C(=O)c1cccc(-c2ccc(N3CCOCC3)nc2F)c1-c1ccc(N2CCN(C)CC2)s1,KYKJATCVCBOUDR-UHFFFAOYSA-N
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-rxn:5:189207:226679:228678,CC(C)Cn1nccc1-c1ccc(-c2cnc(N3CCCC3)cc2F)cc1C(=O)ON1C(=O)CCC1=O,JMKPLEXIKGUOMI-UHFFFAOYSA-N
-rxn:5:189208:225833:228678,CC(C)Cn1nccc1-c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1C(=O)ON1C(=O)CCC1=O,YZVPJJVJHLMHNZ-UHFFFAOYSA-N
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-rxn:5:189209:223354:226783,CNC(=O)c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3c(OC)cc(F)c(F)c3OC)c2)cc1,YMESDCBDACHXGD-UHFFFAOYSA-N
-rxn:5:189209:226447:227778,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccnc(C3CCOCC3)c2)cc(-c2cc(F)cc(F)c2[N+](=O)[O-])c1,UVKHXJSAUFSTEW-UHFFFAOYSA-N
-rxn:5:189210:225834:228678,CC(C)Cn1nccc1-c1cccc(-c2cc(N3CCCCC3)ncc2F)c1C(=O)ON1C(=O)CCC1=O,IJLJYHOBALZCBW-UHFFFAOYSA-N
-rxn:5:189210:225849:228864,CCOc1ncc(-c2cccc(-c3cnc(N4CCCCC4)cc3F)c2C(=O)ON2C(=O)CCC2=O)cn1,CASRJZJXPOUTLC-UHFFFAOYSA-N
-rxn:5:189211:223056:226429,CC1CCCN(c2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3ccc(N4CCC(O)CC4)nc3)s2)C1,WWPNYKVSHKACBL-UHFFFAOYSA-N
-rxn:5:189211:226679:228306,CC(C)Sc1ncc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cnc(N3CCCC3)cc2F)cn1,VONUOJMLWBGTQU-UHFFFAOYSA-N
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-rxn:5:189664:225498:226148,C[Si](C)(C)C#Cc1cccc(-c2cc(-c3cc(C4CCCCC4)ccc3F)ccc2CC(=O)N2CCCC2)c1,GZAYUYYFMXHPBM-UHFFFAOYSA-N
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-rxn:5:190127:227902:225451,CCc1cc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)c(C(=O)N3CCC(OC)CC3)c2)ccc1C#N,NBINDULPXIAOCE-UHFFFAOYSA-N
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-rxn:5:190195:226571:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1cnn(CC2CCOCC2)c1,TVBOGCAYOUVURL-UHFFFAOYSA-N
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-rxn:5:190484:226589:228437,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(F)F)cc3F)S(=O)(=O)CC2)c1,WIQWILKIAAJNST-UHFFFAOYSA-N
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-rxn:5:190743:223056:225982,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCC(O)CC4)nc3)ccc2c1-c1cnc(N2CCOCC2)cc1F,ZGMBMECMLOHVNT-UHFFFAOYSA-N
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-rxn:5:190859:226150:226916,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CCCC3)c1)c2-c1cccc(C2=CCCC2)c1,OSGXBRUWGRXKSG-UHFFFAOYSA-N
-rxn:5:190998:223056:226366,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2)ccc1N1Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2OCC1=O,RHWQMCYFHJMRJA-UHFFFAOYSA-N
-rxn:5:191026:227076:227513,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)c(OC)nc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,HAAIYUSLRASQHQ-UHFFFAOYSA-N
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-rxn:5:191049:225632:225577,COc1cc(N2Cc3cc(-c4cccc(N5CCN(C)CC5)c4)ccc3OCC2=O)c(OC)cc1-c1ccc(N2CCCC2)cc1C#N,KWLHLNFJFZQKRW-UHFFFAOYSA-N
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-rxn:5:191049:229149:225849,CCOc1nc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cnc(N5CCCCC5)cc4F)cc2OC)C(=O)CO3)cs1,DEICTBFEIXVGLM-UHFFFAOYSA-N
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-rxn:5:192234:226649:223054,COc1c(-c2ccc(C(C)N3CCC(O)C3)s2)cc(-c2cccnc2N2CCOCC2)cc1S(N)(=O)=O,HSXIKXSCJILJSC-UHFFFAOYSA-N
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-rxn:5:193229:225653:225871,CC1CCCCN1c1ccc(-c2cccc(C(=O)N3CCOCC3)c2-c2cccc(N3C(=O)C=CC3=O)c2)cn1,NNCNUZRMAKALDL-UHFFFAOYSA-N
-rxn:5:193230:226664:226395,O=C(c1ccc(-c2cc(N3CCCC3)ncc2F)cc1-c1cncc(N2CCCCC2)c1)N1CCOCC1,YWIFNYXQYKVGQA-UHFFFAOYSA-N
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-rxn:5:193540:226686:227613,Cc1cnn(C2CCCCO2)c1-c1ccc(CN2CCCCC2)c(-c2cnn(C3CCOCC3)c2)c1,BTLFVFAZGMGKNP-UHFFFAOYSA-N
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-rxn:5:193932:227312:227283,CCC(C)c1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)ccc2-c2cc(C#N)nc(C3CC3)c2)c(F)n1,CXXQVSYZQRDVDL-UHFFFAOYSA-N
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-rxn:5:193972:228965:223148,Cc1cc(-c2ccc([N+](=O)[O-])nc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1C1CNCCO1,MBPCLMFVOMIQMY-UHFFFAOYSA-N
-rxn:5:194058:223054:225798,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(OC3CCOCC3)nc2)s1)N1CCC(O)C1,WCGGHAXYXOSBAJ-UHFFFAOYSA-M
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-rxn:5:194058:225637:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccccc1N1CCN(C)CC1,RDQNWSOTJHTCFH-UHFFFAOYSA-M
-rxn:5:194058:225805:223007,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cc(F)cc(C3CCNCC3)c2)s1)N1CCOCC1,GGXJRQFUAGBGIZ-UHFFFAOYSA-M
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-rxn:5:194058:226427:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cc(N2CCC(C)CC2)cs1,SKGNIXFQCPCYJK-UHFFFAOYSA-M
-rxn:5:194688:222959:223140,COc1cc(-c2ccnc(C3CCCNC3)c2)cc2c1OCC(=O)N(c1ccc(-c3ccc(C4CCNCC4)c(C)c3)cc1)C2,CHSBPVCMNJAFSU-UHFFFAOYSA-N
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-rxn:5:196873:223065:225976,Fc1cc(N2CCNCC2)ccc1-c1ccc(N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,NQPMIKQACUTGNL-UHFFFAOYSA-N
-rxn:5:196971:226176:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccncc2C2CCCCC2)ncc1C1CCCCC1,ZJZQSNLJRVUXLS-UHFFFAOYSA-N
-rxn:5:196979:225832:226182,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccnc2C2CCCCC2)cc(N2CCCCC2)c1,JNZPQWNAIVGFBU-UHFFFAOYSA-N
-rxn:5:197876:223189:227677,Cc1ccc(C(F)(F)F)c(-c2cc3c(cc2-c2ccc(NS(C)(=O)=O)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XPIAETSJDJLBIZ-UHFFFAOYSA-N
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-rxn:5:197876:225441:228417,CC(C)(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1ccc(F)c(C(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,GBLJTWKJJPSGQH-UHFFFAOYSA-N
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-rxn:5:197876:225462:228504,CC1CCN(c2cccc(-c3cc4c(cc3-c3cccc5c3CCC5)C(=O)N(C(C)(C)C)S4(=O)=O)c2)CC1,NKEJPYQEIQMLGC-UHFFFAOYSA-N
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-rxn:5:197876:225515:228798,CSc1cc(-c2cc3c(cc2-c2cccc4c2OCC(C)(C)CO4)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,ATIQKGPVYQCPAS-UHFFFAOYSA-N
-rxn:5:197876:225591:223400,CNCc1cccc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WJIUULMLERCBFG-UHFFFAOYSA-N
-rxn:5:197876:225591:227811,CC(C)Cc1ccc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,OBAKHSZBKPCTGS-UHFFFAOYSA-N
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-rxn:5:197876:225602:228718,Cc1ncc(C#N)cc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,HLEAAKWISOTOKX-UHFFFAOYSA-N
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-rxn:5:197876:225674:227922,CCc1cc(OC)ccc1-c1cc2c(cc1-c1cnc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,IRGVHFVUEYTRKN-UHFFFAOYSA-N
-rxn:5:197876:225677:228561,CSCc1cccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DTQNWRMHWPOXHH-UHFFFAOYSA-N
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-rxn:5:197876:226598:226917,Cc1cc(-c2cc3c(cc2-c2cc(OC(C)C)c(F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)c1,DDWKGFRTEQZJIS-UHFFFAOYSA-N
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-rxn:5:197876:226768:225441,CSc1ccc(-c2cc3c(cc2-c2cc(C4CC4)cnc2C(C)(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,BSJMWEMVMABZGM-UHFFFAOYSA-N
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-rxn:5:197876:226917:226190,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,JYXCEGOGRGGGDS-UHFFFAOYSA-N
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-rxn:5:197876:227029:227106,Cc1cc(F)c(-c2cc3c(cc2-c2ccccc2C(C)(C)C#N)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C1CC1,WMQZTUHODVAUSO-UHFFFAOYSA-N
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-rxn:5:197876:227076:227519,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cnc(C(=O)OC)cc2C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,RXIFIQTWKUEELE-UHFFFAOYSA-N
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-rxn:5:197876:227311:227120,CCC(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(C4CCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,JZEJEHXHJMMSDV-UHFFFAOYSA-N
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-rxn:5:197876:227412:227672,Cc1cccc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1C(F)(F)F,FLWQYYQVUMPHEP-UHFFFAOYSA-N
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-rxn:5:197876:227788:226334,Cc1cc(C(=O)N(C)C)cc(-c2cc3c(cc2-c2cc(C(F)(F)F)cnc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,RHLGZAWAEWSWHE-UHFFFAOYSA-N
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-rxn:5:197876:228566:226610,CCc1cc(-c2cc3c(cc2-c2ccsc2CC(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,NJPHWDCPTDEFEM-UHFFFAOYSA-N
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-rxn:4:173920:223568,COC(=O)Cc1cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)ccc1C(=O)OC,XLCPWBMYUYBACC-UHFFFAOYSA-N
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-rxn:4:176090:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(CO[Si](C)(C)C(C)(C)C)c(Cl)c3)cnc21,GFGZIKUNNLSHRL-UHFFFAOYSA-N
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-rxn:4:178384:228778,COc1cccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,RDUIDTJVAMCLEM-UHFFFAOYSA-N
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-rxn:4:180384:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C(C)C)cc(C2OCCO2)c1,DPNYHUIUHQFIES-UHFFFAOYSA-N
-rxn:4:180396:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(C3CCOC3)ccc2C2CC2)CC1,XNYQAYKCMNPRTP-UHFFFAOYSA-N
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-rxn:4:183274:227377,c1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(C2CCCC2)n1,QKSYFZIEPWZTGZ-UHFFFAOYSA-N
-rxn:4:183274:228410,COc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c(Cl)c1F,COBMVRKFIBWGBB-UHFFFAOYSA-N
-rxn:4:183483:222540,CCOC(=O)CC(=O)c1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc([N+](=O)[O-])c1,HWYLIDWGHBBBOO-UHFFFAOYSA-N
-rxn:4:183488:224792,CCOC(=O)Cc1ccc(C#N)c(C(F)F)c1-c1cc(C(F)(F)F)cnc1SCC(C)C,XDJFGOXTARDAAR-UHFFFAOYSA-N
-rxn:4:183521:224819,CCOC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,FPILYDONDMIJPM-UHFFFAOYSA-N
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-rxn:4:183543:224653,CCOC(=O)Cc1c(-c2ccc(Cl)cc2OCC2CCCCO2)ccc(C(F)(F)F)c1C#N,WEFWPPRTABARSF-UHFFFAOYSA-N
-rxn:4:183581:223562,CCOC(=O)c1cc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C(=O)OCC)n1,CFWRJPBHUODILC-UHFFFAOYSA-N
-rxn:4:183620:223504,COCCCC(=O)N(C)c1ccccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1,IZNNBABQGOMVAS-UHFFFAOYSA-N
-rxn:4:183647:223590,COCCCN(C)Cc1cccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1,BPYSAPVUMXSKKR-UHFFFAOYSA-N
-rxn:4:183667:222684,COC(=O)C(Oc1cc([N+](=O)[O-])ccc1-c1ccc(OCCN2CCNCC2)c(Cl)c1)C(C)C,AKTAOWKUZQQOHS-UHFFFAOYSA-N
-rxn:4:183668:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1,DCLUSAOIEHLFTL-UHFFFAOYSA-N
-rxn:4:183668:223659,CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,KQDCGVQKQNMDEI-UHFFFAOYSA-N
-rxn:4:183668:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1,IAIRVENGIFNDJQ-UHFFFAOYSA-N
-rxn:4:183693:225329,COC(=O)C1CN(Cc2cc(-c3ccc(OCC(F)(F)F)c(C#N)c3)ccc2OC(F)(F)F)C1,YTHIZAZQHHNRPN-UHFFFAOYSA-N
-rxn:4:183709:224834,CCN(CC)Cc1ccc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)cc1C(=O)OC,SGZRIBMVFFBGIV-UHFFFAOYSA-N
-rxn:4:183726:224406,CCCOc1cc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ccc1C(=O)ON1C(=O)CCC1=O,WYCKCJZMXXQHQF-UHFFFAOYSA-N
-rxn:4:183769:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(OC(F)(F)F)ccc3OCC(=O)N3CCCCC3)c2)CC1,WNVHIIUBLMHSCK-UHFFFAOYSA-N
-rxn:4:183829:225928,Cc1ccc(-c2ccc(F)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)cc1S(=O)(=O)N(C)C,VAWGQEUFUMVLGW-UHFFFAOYSA-N
-rxn:4:183830:224078,CC(C)(C)OC(=O)N(Cc1ccc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)cc1F)C1CC1,VWRGNGMVJLOERU-UHFFFAOYSA-N
-rxn:4:183834:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3S(=O)(=O)N(C(=O)OC(C)(C)C)C3CC3)c(F)cc2C)CC1,VCSTZHBWLKJWAT-UHFFFAOYSA-N
-rxn:4:183876:222434,CC(C)(C)OC(=O)N1CC(COc2ccc(Cl)cc2-c2ccc(C(=O)Nc3cccc(OC(F)(F)F)c3)cc2)C1,CUVALGQNKWAVNG-UHFFFAOYSA-N
-rxn:4:183882:224828,CCOc1cc(OC(F)(F)F)cc(-c2cc(OCC3CN(C(=O)OC(C)(C)C)C3)ccc2F)c1F,CFICQQYVNCKLGA-UHFFFAOYSA-N
-rxn:4:183894:225289,CC(C)Oc1ccc(C(F)(F)F)cc1-c1cccc(F)c1OCCCN1CCC(C(F)(F)F)CC1,XJGOTXGMQHGYOE-UHFFFAOYSA-N
-rxn:4:183905:226889,CCCCN(C(=O)c1ccc(-c2cc(Cl)cc(C(F)(F)F)c2F)cc1)C1CCS(=O)(=O)C1,YWNVGNOZYLELAQ-UHFFFAOYSA-N
-rxn:4:183910:222573,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)c1,CSTCTLRMZRRLFT-UHFFFAOYSA-N
-rxn:4:183922:224690,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1-c1ccc(CN2CCC(=O)CC2)cc1F,DELVYOOUJKWWMN-UHFFFAOYSA-N
-rxn:4:183927:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cccc([N+](=O)[O-])c3CCO[Si](C)(C)C(C)(C)C)cc2C1,MJPPHVVHJITMGF-UHFFFAOYSA-N
-rxn:4:183986:222468,Cc1cc(-c2ccc3cc(NC(=O)OC(C)(C)C)ccc3c2)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,QLDQGPOHTUWKCJ-UHFFFAOYSA-N
-rxn:4:183986:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1cc(C)c(F)c(CN(C(=O)OC(C)(C)C)C(C)C)c1,VGUAIONWSGBFPY-UHFFFAOYSA-N
-rxn:4:183987:222729,CCCc1cc(-c2ccc(OC)c(C=NOC(=O)c3ccc(C(C)(C)C)cc3)c2)cc(C2CCCNC2)n1,FQQBVGRYONCDBY-UHFFFAOYSA-N
-rxn:4:184001:223939,COC(=O)C1(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,QHLRPEUPXFQIQD-UHFFFAOYSA-N
-rxn:4:184024:224776,CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)cc(-c3ccc(-n4cccc4)cc3C(F)(F)F)c2)C1,PTJYPFVMOFLUMH-UHFFFAOYSA-N
-rxn:4:184039:222514,COc1ccc(-c2cccc(C(=O)N3CCC(COCc4ccc(Cl)cc4)CC3)c2)cc1S(=O)(=O)NC1CCCCC1,ACCGUPYHASSFNV-UHFFFAOYSA-N
-rxn:4:184049:223184,COc1ccc(-c2cnc(N3CCNCC3)nc2)c(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1,JRRWLXSHIVECQB-UHFFFAOYSA-N
-rxn:4:184053:225555,CN(Cc1cc(-c2ccc(C(=O)OC(C)(C)C)cc2)cc(C(C)(C)C)c1)C(=O)OC(C)(C)C,CABMCROQFNIJPS-UHFFFAOYSA-N
-rxn:4:184053:226000,CC(=O)Oc1ccc(-c2cc(CN(C)C(=O)OC(C)(C)C)cc(C(C)(C)C)c2)cc1[N+](=O)[O-],XBPPAKUHZCUCGD-UHFFFAOYSA-N
-rxn:4:184064:222597,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CCCC2)c(-c2ccc(F)c(C(=O)Nc3ccccc3Cl)c2)c1,ILZRKSFBUDFKMH-UHFFFAOYSA-N
-rxn:4:184070:228967,COC(=O)C1(c2ccc(-c3cn(C)nc3C(F)F)cc2C)CCN(C(=O)OC(C)(C)C)C1,BYDBOLHWSAUUOG-UHFFFAOYSA-N
-rxn:4:184074:223568,CCc1ccc(CN(C(=O)c2ccccc2-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)C2CCS(=O)(=O)C2)cc1,COSCRTVMPHJHBE-UHFFFAOYSA-N
-rxn:4:184075:224420,CCc1ccc(CN(C(=O)c2ccc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc2)C2CCS(=O)(=O)C2)cc1,BZFLJTXNVYNPQJ-UHFFFAOYSA-N
-rxn:4:184089:226034,COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(-c3cc(Cl)c(OC)c(C(F)(F)F)c3)cc2)cc1,VSFIDNKIZOFDCD-UHFFFAOYSA-N
-rxn:4:184091:223640,CCOC12C(=O)c3cc(F)cc(-c4cc(OC)c(S(=O)(=O)N5CCC(Cc6ccccc6)CC5)cc4OC)c3C(=O)C1C2(C)C,YOCUZBHTCOSPCM-UHFFFAOYSA-N
-rxn:4:184092:224488,CC(C)N(C(=O)c1ccc(-c2ccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)o2)cc1)C(C)C,CGGANMNRUVMWIY-UHFFFAOYSA-N
-rxn:4:184093:223891,CC(C)c1ccc(CN(C(=O)c2ccc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)cc2)C2CCS(=O)(=O)C2)cc1,RKLUXOIJGREYLT-UHFFFAOYSA-N
-rxn:4:184096:227812,CC(C)Cc1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c1,SLKJAWJVJHFAEI-UHFFFAOYSA-N
-rxn:4:184097:223538,CC(C)(C)c1ccc(CN(C(=O)c2ccc(-c3ccnc4c3cc(C(F)F)n4S(=O)(=O)c3ccccc3)cc2)C2CCS(=O)(=O)C2)cc1,NGXSPUVIVCLMLH-UHFFFAOYSA-N
-rxn:4:184099:224427,CCn1c2ccccc2c2cc(-c3ccc(C(C)N(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)ccc21,FTLSRXIBHLWOTP-UHFFFAOYSA-N
-rxn:4:184100:228976,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc3c(c2)C=C3)c1,KNGROWYOYZENRS-UHFFFAOYSA-N
-rxn:4:184147:223493,CCCCOC(=O)c1cc(-c2ccccc2)nc2ccc(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3C)cc12,FPTSYUFLLAQZLL-UHFFFAOYSA-N
-rxn:4:184159:222827,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cc(F)c(S(=O)(=O)NC4CC4)cc3F)c1)C2=O,XNTCPGIWEQUIGR-UHFFFAOYSA-N
-rxn:4:184159:223690,CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cc(C(=O)OC)n(S(=O)(=O)c4ccc(C)cc4)c3)c1)C2=O,UMVNLKPAERXKNT-UHFFFAOYSA-N
-rxn:4:184208:225564,COC(=O)C(C)(C)c1cccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c3ccccc23)c1,QXYIEOYLPGWEQM-UHFFFAOYSA-N
-rxn:4:184360:223867,CCOC(=O)Cc1c(F)ccc(-c2cccc(OCCCN3CCC(C)CC3)c2)c1C#N,RGXGGTRFSJCLCZ-UHFFFAOYSA-N
-rxn:4:184436:224258,CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3C)cc2Cl)c(C(F)F)c1C#N,YOLOCNFZZNUCKW-UHFFFAOYSA-N
-rxn:4:184461:223532,COC(=O)Cc1ccc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C#N)c1C(F)(F)F,PKQMEUVJCCCZQX-UHFFFAOYSA-N
-rxn:4:184669:223699,COC(CN=Cc1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c1)OC,IIZQVTNPBBBWAT-UHFFFAOYSA-N
-rxn:4:184693:223933,CC(C)(C)OC(=O)n1c(-c2cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c2)cc2cc(F)ccc21,OUSCXIMBSFMNAE-UHFFFAOYSA-N
-rxn:4:184693:225598,CC(C)(C#N)S(=O)(=O)c1cc(OC(F)(F)F)cc(-c2cccc(CN3CCSCC3)c2)c1,OVMOGYCULXGMLB-UHFFFAOYSA-N
-rxn:4:184735:225106,CCN(CC)C(=O)c1ccc(-c2cccc(C(=O)N3CC(OCC(F)(F)F)C3)c2)cc1Cl,CIYNISRSYQMGAU-UHFFFAOYSA-N
-rxn:4:184882:224267,O=C(Cc1ccc(-c2cccc(N3CCC4(CC3)OCCO4)c2)cc1OC(F)(F)F)N1CCCC1,ZFMUSYXTXNCQOB-UHFFFAOYSA-N
-rxn:4:184929:223698,O=C(c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)ccc1OCC(F)(F)F)N1CCOCC1,RDXUUXCGISXLOU-UHFFFAOYSA-N
-rxn:4:184949:224153,CN(Cc1cc(-c2cc(N3CCCC3)cc(N3CCCC3)c2)ccc1F)C(=O)OC(C)(C)C,KYTBRZSDLFIIDI-UHFFFAOYSA-N
-rxn:4:184989:224401,CC(C)COc1cc(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)ccc1C(=O)N1CCC1(F)F,PUXCESQUHIYPDV-UHFFFAOYSA-N
-rxn:4:185019:223776,CC(C)N(C(=O)Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1)C(C)C,CFDIIGVENZWYNS-UHFFFAOYSA-N
-rxn:4:185061:223049,O=C(NC1CC1)c1ccc(-c2cc(Cl)cc(F)c2OCCN2CCCC(C(F)(F)F)C2)c(F)c1,KJJOOOSQJJRFBQ-UHFFFAOYSA-N
-rxn:4:185071:224372,COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(-c4cc(C(=O)N5CCCC5)cc([N+](=O)[O-])c4)o3)C2)cc1,GBLLMHJLXWROFC-UHFFFAOYSA-N
-rxn:4:185079:222647,Cc1cc(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)c(C)cc1NC(=O)OC(C)(C)C,DSOXKONQTYCYCU-UHFFFAOYSA-N
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-rxn:4:190475:223867,CC1CCN(CCCOc2cccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)c2)CC1,YOONIJRWRBWZBO-UHFFFAOYSA-N
-rxn:4:190822:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2=O)C(C)C,OOMKNGWIEQTEMW-UHFFFAOYSA-N
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-rxn:4:190827:222432,CC(C)(C)OC(=O)N1Cc2c(cccc2-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)C1=O,NWRNTUBDQJXFMY-UHFFFAOYSA-N
-rxn:4:190900:223728,CCCCCC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)OC(C)(C)C)c(F)c2)CC1,RUWMEZHDCYMMLC-UHFFFAOYSA-N
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-rxn:4:191056:223583,COC(=O)c1ccc2c(-c3ccc4c(c3)C(C)N(C(=O)OC(C)(C)C)CCO4)cn(C(=O)OC(C)(C)C)c2c1,WFHRSKAKHIXHKW-UHFFFAOYSA-N
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-rxn:4:191062:226685,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cnc(C2CCOCC2)nc1,QSQFAKORMMREMQ-UHFFFAOYSA-N
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-rxn:4:191089:225532,CCN(CC)Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)c(F)c1,OATGZRHSVWJXGT-UHFFFAOYSA-N
-rxn:4:191090:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cccc2c1C(C)(C)CN(C(=O)OC(C)(C)C)C2,MUMYBHQIRTXPPV-UHFFFAOYSA-N
-rxn:4:191092:226559,CC(C)(C)OC(=O)c1csc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)c1,SUBHZERMLQNWJV-UHFFFAOYSA-N
-rxn:4:191097:226304,COc1cc(OC(C)C)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,KKRRNHTYSJPYCQ-UHFFFAOYSA-N
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-rxn:4:191098:224484,CC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)C1)O2)C(C)C,HTVDIWKPMGBBOW-UHFFFAOYSA-N
-rxn:4:191121:225302,CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(-c3cc(C(F)(F)F)ncc3C(C)(C)C)c(F)c1C2=O,ZDGQHRHCPKEDQI-UHFFFAOYSA-N
-rxn:4:191124:226093,CC(C)CCSc1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1,WMRKDWBHXVIQNQ-UHFFFAOYSA-N
-rxn:4:191136:224691,O=C(c1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5cccc(C(F)(F)F)c5)C(=O)C34)cc2)cc1)N1CC2(COC2)C1,PPBYPCGLRZCHJB-UHFFFAOYSA-N
-rxn:4:191148:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(S(=O)(=O)ON4C(=O)c5cccc6cccc(c56)C4=O)cc3)c(F)ccc21,UVBGPNHXMBLFDT-UHFFFAOYSA-N
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-rxn:4:191750:223530,Cc1nc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC(F)F,WRETYYOTPRYMQX-UHFFFAOYSA-N
-rxn:4:192188:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3C3CC3)cc2)CC1,IIKGGDYDMDAWQW-UHFFFAOYSA-N
-rxn:4:192993:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc([N+](=O)[O-])ccc3C(C)(C)C)cc2Cl)CC1,IJHNPSALYRDTAT-UHFFFAOYSA-N
-rxn:4:193265:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1ccc(Cl)c(C(=O)N2CCOCC2)c1F,LMECYBXCZTUVCU-UHFFFAOYSA-N
-rxn:4:193268:222724,O=C(c1c(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)ccc(Cl)c1F)N1CCOCC1,CVOAMOCYVOLTEG-UHFFFAOYSA-N
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-rxn:4:193558:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c(F)ccc21,WPBVAVBFUPWFNC-UHFFFAOYSA-N
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-rxn:4:193693:223728,CCCCCC1CCC(c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)c(F)c2)CC1,ZJKXIWCKWZOGMR-UHFFFAOYSA-N
-rxn:4:193778:224730,Cc1cc(C(=O)N2CCS(=O)(=O)CC2)cc(-c2cc(C(F)(F)F)ccc2OCC(C)C)c1,OLCGWQLWQYJBIM-UHFFFAOYSA-N
-rxn:4:193841:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(C)CC1,CEKFKIZBPIZTAG-UHFFFAOYSA-N
-rxn:4:193845:223997,Cc1cc(-c2ccc(C3CCN(S(C)(=O)=O)CC3)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,XKBMRQFWRPIFLY-UHFFFAOYSA-N
-rxn:4:193845:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C2CCN(S(C)(=O)=O)CC2)cc1,OFLFQXVWRIZBJV-UHFFFAOYSA-N
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-rxn:4:193845:224394,Cc1ccc(-c2ccc(C3CCN(S(C)(=O)=O)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,POMMZOJSTSSOOV-UHFFFAOYSA-N
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-rxn:4:193876:223892,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(OCCCN3CCN(C)CC3)cc2)CC1,DPOQLQDDBHSCPG-UHFFFAOYSA-N
-rxn:4:193881:224008,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)CC1,SAFZCANOVSAWJC-UHFFFAOYSA-N
-rxn:4:193884:224818,CC1CCCCN1S(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c(F)cc1F,BQGVSIVEOFBIGX-UHFFFAOYSA-N
-rxn:4:193915:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCN(C5COC5)CC4)cc3)cc2)CC1,DABBFJOMVYBITN-UHFFFAOYSA-N
-rxn:4:193918:224835,Cc1ccc(C(=O)N2CCC(C)CC2)cc1-c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C,ICPBLVFCTKOIMY-UHFFFAOYSA-N
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-rxn:4:200856:223285,Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1-c1ccccc1NS(C)(=O)=O,BOMCWVLHIJXNQO-SFHVURJKSA-N
-rxn:4:200863:223228,CCC(=O)Nc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2C)cc1,ZIUXCUOUDQLXIY-FQEVSTJZSA-N
-rxn:4:200863:224185,COc1ccc(COc2cncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)[C@@H](C)C4)cc3C)c2)cc1,YXYPVSSCHMZJOL-QHCPKHFHSA-N
-rxn:4:200869:225519,CCOC(=O)CCc1ccc(-c2cc(C)cc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1,DUNFEOANMIWZPC-UHFFFAOYSA-N
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-rxn:4:202111:224304,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c(F)ccc(O[Si](C)(C)C(C)(C)C)c3Cl)cc2)CC1,ZGMAPCIXIKEDMV-UHFFFAOYSA-N
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-rxn:4:202169:226129,O=C(C1CN(Cc2cccc(-c3cccc(CN4CCCC4)c3)c2)CCO1)N1CCCC1,QKTCGQBYBCHECS-UHFFFAOYSA-N
-rxn:4:202184:224687,O=C1CCN(Cc2cc(F)cc(-c3ccc(N4CCN(Cc5ccccc5)CC4)c(C(F)(F)F)c3)c2)CC1,SZONSXKULCGKID-UHFFFAOYSA-N
-rxn:4:202215:224322,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,IHPKCSZSUKQYCD-UHFFFAOYSA-N
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-rxn:4:202266:226828,Cc1cc(Cl)c(-c2ccc(CN3CCOC(C(=O)N4CCCCC4)C3)cc2)cc1C(F)(F)F,RFAQKIBINHNQPY-UHFFFAOYSA-N
-rxn:4:202281:222466,S=C(c1ccc(-c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)o1)N1CCN(c2ccccc2)CC1,FXDIOWKCJWUFNQ-UHFFFAOYSA-N
-rxn:4:202288:224107,COc1ccc(COc2ccc(-c3cccc(C(=O)N4CCCSCC4CN4CCOCC4)c3)cc2)cc1,MDPHQONISNQZBU-UHFFFAOYSA-N
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-rxn:4:202310:228875,N#Cc1c(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)ccnc1Cl,RAEVPBLNSIVQCZ-UHFFFAOYSA-N
-rxn:4:202311:224490,O=C(C1CCN(Cc2ccc(-c3ccccc3OCCN3CCCCC3)cc2)CC1)N1CCC(F)(F)CC1,UVKVDVMZOJOXIM-UHFFFAOYSA-N
-rxn:4:202322:225518,CCCCCOc1ncc(C)cc1-c1ccc(CN2CCC(C(F)(F)F)CC2)c(N2CCCCC2)c1,KIKGYDKOAXQXFO-UHFFFAOYSA-N
-rxn:4:202348:223534,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2cc(OC4CCN(C(=O)OC(C)(C)C)CC4)ncc2F)CC3)cc1,NSMHDGMVUYOFFY-UHFFFAOYSA-N
-rxn:4:202352:228214,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2cnc(C4CC4)cc2F)CC3)ccc1F,XIAVUSZQZZSTBH-UHFFFAOYSA-N
-rxn:4:202389:222604,CCOC(=O)c1c(C(F)(F)F)nc2c(-c3ccc(OC)c(S(=O)(=O)NC4CCCC4)c3)cccn12,DSNJWBAMJHDQEN-UHFFFAOYSA-N
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-rxn:4:202518:222829,CNS(=O)(=O)c1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)c(C(F)(F)F)c1,SAUMFHNPMKVYIZ-KRWDZBQOSA-N
-rxn:4:202569:224722,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccnc(N(C)C(=O)OC(C)(C)C)c2)cc1F,WCBQKFWCUDVBEQ-UHFFFAOYSA-N
-rxn:4:202580:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(-n4c(SCc5ccc(Cl)cc5)nc5c(c4=O)SCC5)cc3)cc2)CC1,DPLREKSDBRBPCW-UHFFFAOYSA-N
-rxn:4:202600:223640,CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2cc(F)cc3c2C(=O)C2C(C)(C)C2(OCC)C3=O)c1,POHMKGWZTBZXKE-UHFFFAOYSA-N
-rxn:4:202607:223823,CCOC(=O)c1cnc2c(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cccc2c1N1CCC(F)(F)CC1,YQDXZXKXHUGACC-UHFFFAOYSA-N
-rxn:4:202636:224329,O=C1CCN(C(=O)c2ccc(-c3ccc4oc(=O)c(C(=O)N5CCN(C(=O)c6ccco6)CC5)cc4c3)cc2F)CC1,OUFJBEGKLXEKOU-UHFFFAOYSA-N
-rxn:4:202636:224484,CC(C)N(C(=O)c1ccccc1-c1ccc2oc(=O)c(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2c1)C(C)C,HAYYPIDQPIVBJZ-UHFFFAOYSA-N
-rxn:4:202653:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3cc(C4CN(C(=O)OC(C)(C)C)CCO4)cn23)cc1,IGEFEVQONVZQQE-UHFFFAOYSA-N
-rxn:4:202676:224309,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c3F)cc21,GXBXDMCLYHWFMS-UHFFFAOYSA-N
-rxn:4:202678:222519,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cnc(-c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)cc21,TZMWZPXIKVIZRD-UHFFFAOYSA-N
-rxn:4:202678:223896,COc1cccc(-c2cc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)cn2)c1C(=O)N(C(C)C)C(C)C,DUPPZEGEJXZDOH-UHFFFAOYSA-N
-rxn:4:202681:223681,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cc4cc([N+](=O)[O-])ccc4n3C(=O)OC(C)(C)C)cnc21,ZMBKBOPOIBYJIM-UHFFFAOYSA-N
-rxn:4:202684:225043,CC(C)(C)OC(=O)N1CC(N2CCc3cc(-c4ccc(OC5CCCCC5)c(F)c4)ccc3C2)C1,FDGGHHHXDWKSEQ-UHFFFAOYSA-N
-rxn:4:202706:223812,O=S(=O)(c1ccccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1)N1CCC(Oc2cccc3cccnc23)CC1,DCJFSKWZLBZDKU-UHFFFAOYSA-N
-rxn:4:202712:227217,COCCOc1cccc(-c2ccc3c(c2)CN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C3=O)c1,VBVSLDHNYTZYBT-QFIPXVFZSA-N
-rxn:4:202729:222764,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cccc(NC(=O)c4cccnc4)c3)ccc21,JKOOBNLWBKDCDJ-UHFFFAOYSA-N
-rxn:4:202754:223870,CN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)CCCN3C2CCN(C(=O)OC(C)(C)C)CC2)cc1,DTCVSOVSUBOXCN-UHFFFAOYSA-N
-rxn:4:202755:224966,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccc(OCC5CCOCC5)cc4)ccc3OCC2=O)CC1,ASRWRHFUURRFAJ-UHFFFAOYSA-N
-rxn:4:202807:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(Sc2c(C)nn(C(=O)C34CC5CC(CC(C5)C3)C4)c2C)cc1,VGYOXUDSPDKYPP-UHFFFAOYSA-N
-rxn:4:202807:224178,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(OCCN3CCN(C)CC3)c2)cc1,IOEGSDOORGZGLH-UHFFFAOYSA-N
-rxn:4:202884:223540,COC(=O)c1ccnc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)c1C#N,OEYLIQMMYHYBCI-UHFFFAOYSA-N
-rxn:4:202960:223594,COC(=O)c1nc(Cl)c([N+](=O)[O-])cc1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,ZLMSJWWIAFXWAD-UHFFFAOYSA-N
-rxn:4:203007:223500,CCOC(=O)c1cn(C)c(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,CYAHNQUKMQBENG-UHFFFAOYSA-N
-rxn:4:203545:223927,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)N3CC(N4C(=O)CSC4=O)C3)o2)cc2cccnc21,JAJMXDPTCBLMNK-UHFFFAOYSA-N
-rxn:4:203561:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2ccc([N+](=O)[O-])c(CN3CCCC3)c2)c1,JRAZJZIGZFYYAF-UHFFFAOYSA-N
-rxn:4:203637:222426,COc1cc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cc(N2CCCC2)c1[N+](=O)[O-],LJACYKLMPSSAJC-UHFFFAOYSA-N
-rxn:4:203639:223835,Cc1cc(F)c(-c2ccc(S(=O)(=O)NN3CCSCC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,BQHLVTFPCPAJCE-UHFFFAOYSA-N
-rxn:4:203696:225172,O=C(c1ccccc1-c1cc(CN2CCOCC2)ccc1F)N1CC(N2C(=O)CSC2=O)C1,NNQRGYHDOAPGRU-UHFFFAOYSA-N
-rxn:4:203712:222863,CCCCNC(=O)c1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)ccc1Cl,VUNYHCOCZGUNDY-UHFFFAOYSA-N
-rxn:4:203727:224360,COC(=O)c1ccc(-c2cncc(C(=O)N3CCCC(OC)C3)c2)n1C(=O)OC(C)(C)C,RCOWNSDNKAATQR-UHFFFAOYSA-N
-rxn:4:203737:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2cnccc2N2CCC(C(=O)OC)CC2)c1,LFIPORRMEDDRKD-UHFFFAOYSA-N
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-rxn:4:203799:224160,CC(=O)N1CCCC(Cc2cccc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)n2)C1,GRVDFBHQLDGHPW-UHFFFAOYSA-N
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-rxn:4:204554:223785,CCN1CCN(CCOc2ccc(-c3cc4cnn(C(=O)OC(C)(C)C)c4cc3C)cc2Cl)CC1,RBZFSVMELGIPFL-UHFFFAOYSA-N
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-rxn:4:204647:225331,CCOc1cc(OC(F)(F)F)cc(-c2cncc3c2OCCN(C(=O)OC(C)(C)C)C3)c1,YRGNCTAUGBJWAB-UHFFFAOYSA-N
-rxn:4:204694:225653,CC1CCCCN1c1ccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)cn1,CTNUQEDKVREYTA-UHFFFAOYSA-N
-rxn:4:204706:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(N2C(=NC(=O)C3CC3)SC3CS(=O)(=O)CC32)c(F)c1,JDFWMPBMHPMLKK-UHFFFAOYSA-N
-rxn:4:204738:228096,CCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3ccc(OCCF)cc3)ccc21,XIIDEYFSUIUOED-UHFFFAOYSA-N
-rxn:4:204775:224487,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cccc(OCCN4CCCCC4)c3)ccc21,NBRGTIGUYYHYMT-UHFFFAOYSA-N
-rxn:4:204865:225163,CC1CCN(C(=O)C2=CN(c3cccc(-c4ccccc4C(=O)N4CCOCC4)c3)c3ccccc3S2(=O)=O)CC1,WOEUTEIBIOFRIN-UHFFFAOYSA-N
-rxn:4:204894:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc3[nH]c4c(c3c2)CN(C(=O)OC(C)(C)C)CC4)cc1,FAGMTEAIFHHAKL-UHFFFAOYSA-N
-rxn:4:204900:225903,CON(C)C(=O)c1cc(-c2ccc3c4c(cccc24)C(=O)N(CCN2CCOCC2)C3=O)ccc1F,FTOALFFSUMCODK-UHFFFAOYSA-N
-rxn:4:205272:223606,N#Cc1cc(S(N)(=O)=O)ccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1,POQKYCXMIIATSU-UHFFFAOYSA-N
-rxn:4:205856:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccn(CC3CCOC3)n2)CC1,URJNISQSONEHAE-UHFFFAOYSA-N
-rxn:4:206246:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1ccc(N2CCC(F)(F)C2)c(C#N)c1,KXRUDTAJXMMDHK-UHFFFAOYSA-N
-rxn:4:206444:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(C(=O)N3CCOCC3)c(Cl)c2)CC1,GBMOIFVYAFAUBK-UHFFFAOYSA-N
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-rxn:4:206496:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cnc(OC3CCCCC3)nc2)cc1,VMEAONXFNCONRY-UHFFFAOYSA-N
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-rxn:4:206669:223579,COc1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)cn1C1CCCCC1,VSRNCUQCSSNFKZ-UHFFFAOYSA-N
-rxn:4:206706:223812,CC1CN(C(=O)c2cncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)c2)CCO1,NNYFCBPAKGIRKF-UHFFFAOYSA-N
-rxn:4:206746:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc([N+](=O)[O-])c3N3CCCC(F)(F)C3)c2)CC1,HVXMAHPNGWTFIT-UHFFFAOYSA-N
-rxn:4:206954:222707,CC(C)(C)OC(=O)NCc1nccc(-c2cc(S(N)(=O)=O)ccc2N2CCCCC2)c1F,FKEJPNIRGBFKOL-UHFFFAOYSA-N
-rxn:4:206955:222723,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2)CC1,CFSDLKHLGDQNHH-UHFFFAOYSA-N
-rxn:4:207022:222779,Cc1ccc(-c2ccncc2CNC(=O)OC(C)(C)C)c(C(=O)N2CCN(C)CC2)c1F,XOKUZOBSKUNLAM-UHFFFAOYSA-N
-rxn:4:207026:223603,O=C(c1cncc(-c2cc(OCc3cccnc3)c(OC(F)(F)F)cc2Cl)c1)N1CCC2(CC1)OCCO2,MXQPTEOBEWVTJR-UHFFFAOYSA-N
-rxn:4:207081:223812,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)c1)C2,WWYRNRTYYSRDBB-UHFFFAOYSA-N
-rxn:4:207081:225518,CCCCCOc1ncc(C)cc1-c1cncc(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,MTKPSWCFOPIAQE-UHFFFAOYSA-N
-rxn:4:207401:222523,COC(=O)c1c(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)nc2n1CCCC2,RXDVIUFHANLPDX-UHFFFAOYSA-N
-rxn:4:207747:223808,COc1ccc(COc2ccc(-c3ccc(N4C(=NC(C)=O)SC5CS(=O)(=O)CC54)cc3)c(F)c2F)cc1,VVOJPUXFDOZXPY-UHFFFAOYSA-N
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-rxn:4:207829:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(N4C(=O)N(c5ccc(F)cc5)C5CS(=O)(=O)CC54)cc3)cnc21,NZABYPRYLYADOH-UHFFFAOYSA-N
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-rxn:4:207857:228362,CC1OC2(CC3CCC(C2)N3C(=O)c2ccc(-c3cnc(Cl)nc3C3CC3)o2)CN(C)C1=O,MRLZEAJCWJEOEV-UHFFFAOYSA-N
-rxn:4:207890:224863,Cc1c(-c2ccccc2CN(C(C)C)C(C)C)cnn1CC12CC3CC(CC(C3)C1)C2,PIYMTNLCGVDLDW-UHFFFAOYSA-N
-rxn:4:207959:223278,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnn(C5CCNCC5)c4)ccc2OC3C2CCCCC2)cc1,XPENUFUTEOMMNL-UHFFFAOYSA-N
-rxn:4:207959:225634,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCCC5)c(C)c4)ccc2OC3C2CCCCC2)cc1,MTENBWMAVNYXPN-UHFFFAOYSA-N
-rxn:4:210569:223525,CC12CC(n3cc(-c4cccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)(C1)C2,BMBWVJGWMMFECI-UHFFFAOYSA-N
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-rxn:4:211101:227119,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCCC5)cs4)ccc2OC32CCC(C)CC2)cc1,CKHZTOPJVNHCFS-UHFFFAOYSA-N
-rxn:4:212526:225177,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2ccc(CN3CCSCC3)c(F)c2)CC1,WEMUXLGXVQIPRV-UHFFFAOYSA-N
-rxn:4:212558:225204,Cc1c(-c2ccc(CSC3=NCCN3C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(C(F)(F)F)cc1C1CC1,VMPXWLPNOWWUAA-UHFFFAOYSA-N
-rxn:4:212593:222758,Cc1cc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)ccc1NC(=O)OC(C)(C)C,BKYQMMYKCWCVQN-UHFFFAOYSA-N
-rxn:4:212595:223867,CC1CCN(CCCOc2cccc(-c3ccc(-c4ccc(C(=S)N5CCN(CCC#N)CC5)o4)cc3)c2)CC1,QGXIAFJJAWTYMD-UHFFFAOYSA-N
-rxn:4:212603:225535,CCN(CC)Cc1cc(-c2ccc(CSC3=NCCN3C(=O)c3cccc([N+](=O)[O-])c3C)cc2)ccc1Cl,WOOHRGRUMJTGPX-UHFFFAOYSA-N
-rxn:4:212606:224255,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCCC(C)C4)c3)cn2)C1,LBRGLVXCGJPQCW-UHFFFAOYSA-N
-rxn:4:212606:225175,CC(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(F)c(CN4CCOCC4)c3)cn2)C1,ZFAHCKGXACVALX-UHFFFAOYSA-N
-rxn:4:212619:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)OC(C)(C)C)C4)nc3)cc2)CC1,SYRVXSBTUDAOLR-UHFFFAOYSA-N
-rxn:4:212621:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)Cc5ccc(F)cc5)CC4)nc3)c(Cl)c2)CC1,KXOCPNSHUFREFQ-UHFFFAOYSA-N
-rxn:4:212626:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(S(=O)(=O)N4CCC(COc5cc(C#N)ccn5)CC4)cc3)c2)C1,GAVHJKBTXRGRSA-UHFFFAOYSA-N
-rxn:4:212628:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(OC4CCCN(C(=O)Cc5cccc(C(F)(F)F)c5)C4)nc3)c2)CC1,NOSICNCCBNZGGP-UHFFFAOYSA-N
-rxn:4:212637:225007,CN(C(=O)c1ccc(-c2cccc(CN3CCCCC3)c2F)nc1)C1CCN(C(=O)OC(C)(C)C)C1,CVCKYXKEKYJNKA-UHFFFAOYSA-N
-rxn:4:212643:223574,COc1ccc(CC(=O)N2CCC(Oc3ncc(-c4cccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)cc1,BOKVHARLSNQHDI-UHFFFAOYSA-N
-rxn:4:212645:222793,Cn1cc(-c2cccc(NC(=O)OC(C)(C)C)c2F)c(CN(C(=O)OC(C)(C)C)C2CCOCC2)n1,SXWLSZXXXISMSO-UHFFFAOYSA-N
-rxn:4:212650:222634,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,YCOCMXRJRFNPGS-UHFFFAOYSA-N
-rxn:4:212650:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)CC(C)(C)C)C4)nc3)c(F)c2)CC1,OAJLKYCADXMRSB-PECFQXNXSA-N
-rxn:4:212651:226578,CN(C)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl,HNXXHCLKEZFQEV-UHFFFAOYSA-N
-rxn:4:212652:225072,CCOC(=O)c1cc2c(-c3cc(C(=O)OC)cc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)cccc2s1,CMINVHITGPZZRI-UHFFFAOYSA-N
-rxn:4:212662:224400,COc1ccc(CN2CCCC(COc3ncc(-c4ccc(N5CCOCC5)c(C(F)(F)F)c4)cn3)C2)cc1,SEPFCBUQJXJUHZ-UHFFFAOYSA-N
-rxn:4:212665:225943,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCOCC4)s3)cn2)C1,AVMVDBYUKWSUBP-UHFFFAOYSA-N
-rxn:4:212690:222919,Cn1ncc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1CN(C(=O)OC(C)(C)C)C1CCCCC1,XMCUYUSRGUBXGJ-UHFFFAOYSA-N
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-rxn:4:212693:222717,Cc1cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c2)c(S(=O)(=O)NC(C)(C)C)cc1F,UYNMGBSVDGFEBL-UHFFFAOYSA-N
-rxn:4:212714:223567,Cc1ccccc1-n1c(-c2ccc(-c3cc4cc(OC(C)C)ccc4n3C(=O)OC(C)(C)C)cc2)cnc1SCC(=O)N1CCCC1,BZKUKQDWNGIXLU-UHFFFAOYSA-N
-rxn:4:212719:222638,CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cc2)SC1=S,PLBPINVBOHEYEB-UHFFFAOYSA-N
-rxn:4:212736:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCCC2)CC1,CBXYFFOXOIOWSS-UHFFFAOYSA-N
-rxn:4:212745:228952,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(F)c(Cl)c3F)c2)CCN1C(=O)OC(C)(C)C,JMFFNVOITGJLBJ-UHFFFAOYSA-N
-rxn:4:212784:226098,CCCCOc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(C(=O)OCC)CC3)c2)cc1C,PGYYQGRCLONMSW-UHFFFAOYSA-N
-rxn:4:212787:224730,COCCn1c(=NC(=O)c2ccccc2-c2cc(C(F)(F)F)ccc2OCC(C)C)sc2cc(S(N)(=O)=O)ccc21,DDXMJHOZGHHOQG-UHFFFAOYSA-N
-rxn:4:212814:225572,COC(=O)c1ccc(C2CC2)cc1-c1c2c(nn1C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C2,SDKGOSQIVJCTHD-UHFFFAOYSA-N
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-rxn:4:212841:223991,COc1ccc(-c2c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c2F)cc1-c1nc(CSc2nc3ccccc3c(=O)n2C2CCCC2)c(C)o1,IVGOWIBQDDODGJ-UHFFFAOYSA-N
-rxn:4:212848:223510,CC(C)(C)OC(=O)N1CCc2c(c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)nc3n2C(=O)OC(C)(C)C)C1,JRENDPXYUWUYSS-UHFFFAOYSA-N
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-rxn:4:212923:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)c1,WLBUFTYNVWZLRV-UHFFFAOYSA-N
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-rxn:4:212938:223998,CCC(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)cn2)C1,LJUQAIWDNQJUTB-UHFFFAOYSA-N
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-rxn:4:213005:224672,CCN1CCN(c2ccc(-c3ccc(C(=O)N4CCC(Oc5ncc(OC)cn5)CC4)o3)c(Cl)c2)CC1,FNQGCCAAQLZWQO-UHFFFAOYSA-N
-rxn:4:213037:222775,CC(C)CCN1CCC(Oc2ncc(-c3ccc(CN4CCC(O)CC4)c(F)c3)cn2)CC1,XHONLTINRNIAFM-UHFFFAOYSA-N
-rxn:4:213037:225300,CC(C)CCN1CCC(Oc2ncc(-c3ccc(OC4CCOCC4)nc3F)cn2)CC1,IKTGTPAFPMHSNI-UHFFFAOYSA-N
-rxn:4:213060:222604,COc1ccc(-c2ccc(C(=O)N3CCN(Cc4nc(-c5ccco5)cs4)CC3)o2)cc1S(=O)(=O)NC1CCCC1,FWCMRLQIMJLOFH-UHFFFAOYSA-N
-rxn:4:213070:222655,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C(=O)NC4CCCCC4)c(Cl)c3)cn2)CC1,GUSDIXJDBHLUJE-UHFFFAOYSA-N
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-rxn:4:213131:226231,CCCCOc1ncc(-c2cnc(OCC3CCN(C(=O)C(C)(C)C)CC3)nc2)cc1C,WRTNCUYVJSUFMR-UHFFFAOYSA-N
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-rxn:4:213138:224868,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cccc(OCC4CCCCC4)c3)cnc2F)CC1,GOPRIOIRRSDAMV-UHFFFAOYSA-N
-rxn:4:213144:225009,Cc1cnc(OC2CCCCC2)c(-c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,UCJXOTYVGZQSOK-UHFFFAOYSA-N
-rxn:4:213151:226792,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOCC4)nc3)cc(F)c2[N+](=O)[O-])CC1,BKSWAQAXDRJBBV-UHFFFAOYSA-N
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-rxn:4:213163:227254,CCCOc1ccc(-c2cnc(OCC3CCN(C(=O)C4CCCC4)CC3)nc2)cc1Cl,VUPVWEQKWVXAQL-UHFFFAOYSA-N
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-rxn:4:213180:222546,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)c(C)o1,FKBDODXMSFSWDW-UHFFFAOYSA-N
-rxn:4:213195:224051,CCc1ccc(OCc2ccccc2)c(-c2cnc(OCC3CCN(C(=O)C4CCOCC4)CC3)nc2)c1,JJFMMRQVAIVVDS-UHFFFAOYSA-N
-rxn:4:213196:224324,O=C1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(C(=O)C5CCOCC5)C4)nc3)ccc2F)CC1,LPYFQQFCKCBSAO-UHFFFAOYSA-N
-rxn:4:213202:222819,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(NC(=O)N4CCOCC4)nc3)CC2)nn1,PDICWCPMBAVIGJ-UHFFFAOYSA-N
-rxn:4:213219:226510,CCN1CCN(c2ccc(-c3ccnc(OCC(C)C)c3Cl)c(C(=O)OC(C)(C)C)n2)CC1,CXJSSBBFNHMYDF-UHFFFAOYSA-N
-rxn:4:213222:225977,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4cc(Cl)cnc4N4CCOCC4)o3)CC2)n1,BNTKITVDTWFLET-UHFFFAOYSA-N
-rxn:4:213250:224767,CC(C)(C)c1ccc(C(=O)N2CCC(Oc3ncc(-c4cccc(C(=O)N5CCOCC5)c4F)cn3)C2)cc1,FVABGAJOKVZAML-UHFFFAOYSA-N
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-rxn:4:213263:224778,CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc(-c4c(F)cc(OC5CCOCC5)cc4F)c3)CC2)cc1,VRGCLODIYWKEKI-UHFFFAOYSA-N
-rxn:4:213264:223041,O=C(NC1CC1)c1ccc(F)c(-c2ccc(CC(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)cc2)c1,AHOUHCYFTCVORW-UHFFFAOYSA-N
-rxn:4:213267:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccc(N3CCN(C(C)C)CC3)nc2C(=O)OC(C)(C)C)c1,GAOPQFSNYLOHHK-UHFFFAOYSA-N
-rxn:4:213291:226332,CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)Cc3ccc(-c4ccccc4C(=O)N4CCC4)cc3)CC2)n1,PLDNZIZABYSHBW-UHFFFAOYSA-N
-rxn:4:213320:227065,COC(=O)c1nc(-c2cccc(C(=O)C(C)C)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,KCNJSUHVTSOJRK-UHFFFAOYSA-N
-rxn:4:213355:225814,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4cccc(C5(C(F)(F)F)CC5)c4)cc3nn2C)C1,FABKZWBVPFUNHZ-UHFFFAOYSA-N
-rxn:4:213363:223812,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)CC3)nc2c1,JBADCVGVJGLGQE-UHFFFAOYSA-N
-rxn:4:213387:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,YXHMIYVDHWHXLU-OAQYLSRUSA-N
-rxn:4:213407:224494,CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(-c5ccc(CCOC6CCCCO6)cc5)cc4s3)CC2)cc1,GIOKMXWVXQNSOP-UHFFFAOYSA-N
-rxn:4:213412:227990,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(Cl)cc4C(C)C)cc3nn2C)CC1,LGDXNAXOYVQUIG-UHFFFAOYSA-N
-rxn:4:213451:222392,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(NC(=O)Nc6ccc(Cl)cc6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,ZLRMUUWNHZQLNL-UHFFFAOYSA-N
-rxn:4:213453:222706,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4cc(C5CCNCC5)ccc4C(F)(F)F)cc3)N2C1=O,XZDPLVYXCHSKDZ-UHFFFAOYSA-N
-rxn:4:213472:225531,CCN(CC)Cc1cc(F)ccc1-c1ccccc1C(=O)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,PKDGISNINSRDIA-UHFFFAOYSA-N
-rxn:4:213480:226181,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C5=CCCCC5)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,RFWPZDNBOXYZHG-QPYSNBRXSA-N
-rxn:4:213546:223492,Cc1cc(-c2ccc(-c3cnc(SCC#N)n3C)cc2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,AFFVIUJYDYFTIS-UHFFFAOYSA-N
-rxn:4:213632:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2nccn2C2CN(C(=O)OC(C)(C)C)C2)c1,HTIHGISDBIHHBC-UHFFFAOYSA-N
-rxn:4:213778:224685,CCN1CCN(c2ccc(-c3cccc(C(=O)N4CCC(=O)CC4)c3)c(C(=O)OC)n2)CC1,VATGJQGHCYPFCQ-UHFFFAOYSA-N
-rxn:4:213794:224655,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnn(CC3CN(CC4CCCCO4)C3)c2)c(F)c1,UXEBCZHCDGZNBN-UHFFFAOYSA-N
-rxn:4:213798:225001,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(CN4CCCC(F)C4)cc3)cn2)C1,MLNAADSWKBFZQY-UHFFFAOYSA-N
-rxn:4:213800:224759,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)ncn1,ACZGJJGGOOTELW-UHFFFAOYSA-N
-rxn:4:213800:225882,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2cnc(Cl)c(C3CCOCC3)c2)ncn1,RNZYCIBSBVKVIK-UHFFFAOYSA-N
-rxn:4:213829:225159,O=C(c1cccc(-c2cnc(OC3CCCN(C(=O)c4ccc(F)c(F)c4F)C3)nc2)c1)N1CCOCC1,UAKDYGASBBJSGL-UHFFFAOYSA-N
-rxn:4:213844:222885,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(C(=O)NC4CCOC4)cc3)n2)C(=O)C1,MPZKHVHVIZABOR-UHFFFAOYSA-N
-rxn:4:213860:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)cc1,YHNFDHDRWZCTAO-UHFFFAOYSA-N
-rxn:4:213863:222694,O=S(=O)(NC1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)c1,XOOOHXCGLDYTIJ-UHFFFAOYSA-N
-rxn:4:213878:223154,CCNC(=O)c1cc(-c2cnn(C3CC4(C3)CN(C(=O)OC(C)(C)C)C4)c2)ccc1F,PIXISDSFLBENDJ-UHFFFAOYSA-N
-rxn:4:213879:224718,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc(OCCN3CCOCC3)nc2)CC1,BYKKALHXIYHBHX-UHFFFAOYSA-N
-rxn:4:213880:225980,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cc(N3CCOCC3)ncc2F)CC1,JGYWLPPXRQAELY-UHFFFAOYSA-N
-rxn:4:213883:222813,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cnc(NC(=O)OC(C)(C)C)c(Cl)c1,GFHTWCRCOIJNHV-UHFFFAOYSA-N
-rxn:4:213910:223492,Cc1cc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PSPOOHFNFPTJKT-UHFFFAOYSA-N
-rxn:4:213930:224483,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCN5CCCCC5)cc4)cn3)C2)cc1F,VJFLIKCDICTNDD-UHFFFAOYSA-N
-rxn:4:213971:224816,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cnn(-c3ccccc3C(F)(F)F)c2)CCO1)N1CCOCC1,KNQXIZPAQHUNEY-UHFFFAOYSA-N
-rxn:4:213993:224101,CC1CCN(CCOc2cccc(-c3cnc(N4CCN(C)CC4)c(C(=O)OC(C)(C)C)c3)c2)CC1,MPFNCXFRASBOJO-UHFFFAOYSA-N
-rxn:4:214000:223022,COCCNC(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3C)c(F)c2)cc1,NAYZPPPSDWEZTA-UHFFFAOYSA-N
-rxn:4:214003:222961,CCCCNC(=O)c1cccc(-c2cccnc2OC2CCN(C(=O)C3CC(=O)N(C)C3)CC2)c1,NXYLCWAJGDRVPF-UHFFFAOYSA-N
-rxn:4:214005:225516,CN(C)CCCOc1ccc(-c2cccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)c2)cc1,JDCRAASROLWPMU-UHFFFAOYSA-N
-rxn:4:214026:226231,CCCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1C,GYCOASFWDGAKEF-UHFFFAOYSA-N
-rxn:4:214051:225759,CCN(C)C(=O)c1ccc(-c2nc(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c(C(C)C)s2)cc1F,NJOAPZDVVGZQJL-UHFFFAOYSA-N
-rxn:4:214060:227403,CC(C)(C)OC(=O)N1CC2(CCN(c3cncc(-c4ccc(N5CCCCC5)s4)c3)CC2)C1,CYDXNGLPJRGTIZ-UHFFFAOYSA-N
-rxn:4:214064:223112,CC(C)c1ccc2[nH]ncc2c1-c1ccc(CN2CCN(S(C)(=O)=O)CC2)c(N2CCOCC2)c1,UAXPXTFJADBZOU-UHFFFAOYSA-N
-rxn:4:214066:225366,CC(F)(F)c1ccc(-c2cccc(N3C(=O)CC(N4CCN(C(=O)c5ccccc5)CC4)C3=O)c2)c(C(F)(F)F)c1,FUJNMFSNIIJGOR-UHFFFAOYSA-N
-rxn:4:214162:224904,O=C(c1ccc(-c2ccc3[nH]c(C(=O)N4CCN(CC(F)(F)F)CC4)cc3c2)cc1)C1CCCCC1,FVPQSMKKOCIUKG-UHFFFAOYSA-N
-rxn:4:214167:223761,Cc1cccc2sc(N3CC(OC(=O)c4cncc(-c5ccc(C6CCCN6C(=O)OC(C)(C)C)cc5)c4)C3)nc12,KIVASEDQOKATNC-UHFFFAOYSA-N
-rxn:4:214183:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1ccc2c(C3CN(C(=O)OC(C)(C)C)C3)ncn2c1,XBTWRQPEARVREA-UHFFFAOYSA-N
-rxn:4:214217:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Oc4cnc5ccccc5n4)C3)cc2F)CC1,BQQRFLOHBGYDRE-UHFFFAOYSA-N
-rxn:4:214223:222514,COc1ccc(-c2ccc(C(=O)N3CCC(Cn4cnc5ccccc54)CC3)o2)cc1S(=O)(=O)NC1CCCCC1,JWXWEMYBWQHDGZ-UHFFFAOYSA-N
-rxn:4:214231:225982,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(N5CCOCC5)cc4F)cccc3n2)C1,FDHBXDFFMOEPKB-UHFFFAOYSA-N
-rxn:4:214277:224718,CC(C)(C)OC(=O)N1CCC(n2ncc3cc(F)c(-c4ccc(OCCN5CCOCC5)nc4)cc32)CC1,LLJKHQOCCYIPGR-UHFFFAOYSA-N
-rxn:4:214285:224253,CC1CCCCN1C(=O)c1cc(-c2cnc(OC3CCCN(S(=O)(=O)c4cccc5ccccc45)C3)nc2)ccc1F,FAKXRBNLVCCANH-UHFFFAOYSA-N
-rxn:4:214292:225319,CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc2cc(-c3cc(F)c(F)c(N4CCOCC4)c3)ccc2[nH]1,MGPJIKXIHIDPTM-MVIPISOYSA-N
-rxn:4:214322:226896,COCn1cc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)cc2)c(C(F)(F)F)n1,UGWWAXRFEPIFMH-UHFFFAOYSA-N
-rxn:4:214337:224777,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(-c3cnc(C4CCCC4)c(C(F)(F)F)c3)c2)CC1,HNPRWUSJWLFOBN-UHFFFAOYSA-N
-rxn:4:214349:225059,CC1CCN(c2ccc(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)cc3)c(Cl)c2)CC1,CAIQNMZCNZONJK-UHFFFAOYSA-N
-rxn:4:214678:223888,CCN1CCN(C(=O)c2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cnc2Cl)CC1,VZJJGFCGWSSGOM-UHFFFAOYSA-N
-rxn:4:214679:224411,CN(C)S(=O)(=O)c1ccc(-c2cn(C)nc2CN2CCC(C(F)(F)F)CC2)c(C(F)(F)F)c1,MBVUASDCSSCAOW-UHFFFAOYSA-N
-rxn:4:214706:223992,Cc1ccc(-c2cnc(CC3CCCN(S(C)(=O)=O)C3)cn2)cc1S(=O)(=O)N1CCN(C)CC1,RBABVFRQCDGBLG-UHFFFAOYSA-N
-rxn:4:214718:225365,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3c(F)c(F)c(OC(C)C)c(F)c3F)c2)CC1,SXSLSZHGPJAMBE-UHFFFAOYSA-N
-rxn:4:214742:224193,CCN1CCN(Cc2cc(-c3cc(N4CCC(N(C)C)CC4)ccc3C#N)ccc2F)CC1,OOYVKWDUQNSDFT-UHFFFAOYSA-N
-rxn:4:214747:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cccc(C#N)c3N3CCC(N(C)C)CC3)cc2)CC1,IBZNGOPEFXMYPN-UHFFFAOYSA-N
-rxn:4:214759:223602,Cc1cnccc1OC1CCN(c2ncc(Cl)cc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)C1,FKXKPKRNGICAMA-UHFFFAOYSA-N
-rxn:4:214820:224409,O=C(C1CN(c2ncc(-c3cc(OCC(F)(F)F)cc(C(F)(F)F)c3)cc2F)CCO1)N1CCCC1,FZNWJPLXFRZNRR-UHFFFAOYSA-N
-rxn:4:214827:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nc(C)nn3-c3c(C(C)C)cccc3C(C)C)c(F)cc2C)CC1,DCSNPLNEVKYLPK-UHFFFAOYSA-N
-rxn:4:214839:224267,O=C(C1CN(c2ncc(-c3cccc(N4CCC5(CC4)OCCO5)c3)cc2F)CCO1)N1CCSCC1,LOSPWZWJNNDFGV-UHFFFAOYSA-N
-rxn:4:214839:226990,CN(C)CCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1,ZBPUEEHTAXELJS-UHFFFAOYSA-N
-rxn:4:214868:222865,CCCCNC(=O)c1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1Cl,AJUUKOVVMYQJNP-UHFFFAOYSA-N
-rxn:4:214870:225009,Cc1cnc(OC2CCCCC2)c(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,NDUSVRDGGYEXFF-UHFFFAOYSA-N
-rxn:4:214872:226236,CCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCCC2)C1,UEQCBUKYVFGAIJ-UHFFFAOYSA-N
-rxn:4:214880:223074,Cc1cc(-c2cccc(NS(=O)(=O)C3CC3)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,BKEGKNIFQZTXEJ-UHFFFAOYSA-N
-rxn:4:214881:222412,CNC(=O)Nc1ccc(-c2cccnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1,IFCWLZCTRBTICO-UHFFFAOYSA-N
-rxn:4:214883:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnccc3N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c2)C1,FBDIPRQHXVNPLN-UHFFFAOYSA-N
-rxn:4:214886:228360,CC(C)c1ncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(F)c2)c(Cl)n1,PAIQKQRMCXGTRH-UHFFFAOYSA-N
-rxn:4:214888:225269,COC(=O)c1ccc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)c(C(=O)OC)c1,RQHKWJNNHCBLBI-UHFFFAOYSA-N
-rxn:4:215025:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)c(F)c(C(F)(F)F)c1,JCOVCUCMQQWJND-UHFFFAOYSA-N
-rxn:4:215027:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnn3c2N(C(=O)OC(C)(C)C)CC3)cc1,BSUAGCUSQYBYCI-UHFFFAOYSA-N
-rxn:4:215170:222826,O=C(c1cncc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,OMHYLQNLSGZQNV-UHFFFAOYSA-N
-rxn:4:215287:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cccc3c4c([nH]c23)CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C4)c1,KABNMYVNIMEZMH-UHFFFAOYSA-N
-rxn:4:215301:223053,CC(C)NC(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)c(F)c1,BNLUNFHYNQMHKD-UHFFFAOYSA-N
-rxn:4:215309:225361,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3cn(C4CCCC4)nc3C(F)(F)F)cccc1-2,IZITXUUTQKYGKN-FQEVSTJZSA-N
-rxn:4:215687:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cn(C4CCCCO4)nc3[N+](=O)[O-])c2)CC1,QDXVADUMFMFZSW-UHFFFAOYSA-N
-rxn:4:215906:222695,Cc1ccc(-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)cc1S(=O)(=O)NC1CCCC1,OTWJMRHAXCZDBN-UHFFFAOYSA-N
-rxn:4:215914:222589,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1,LFLNRIWHFJQRFD-UHFFFAOYSA-N
-rxn:4:215987:222583,CC1CCCCN1c1cc(C(C)(C)C)nc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)n1,AWIXRKKEXUFXNX-UHFFFAOYSA-N
-rxn:4:216155:223588,Cc1cc(-c2ccc(C(=O)N3CCc4ncncc4C3)o2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,MEVDKQMQCTVONN-UHFFFAOYSA-N
-rxn:4:216163:223539,COc1ccc(-c2ccccc2S(=O)(=O)N2Cc3cncnc3C2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,VCUVVVUNTDGMLS-UHFFFAOYSA-N
-rxn:4:216231:222777,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1ccc(CN2CCC(O)CC2)c(Cl)c1,NXHGWYMRKUBJPP-UHFFFAOYSA-N
-rxn:4:218653:226238,CCCOc1ccc(-c2cnn(CC3CN(C(=O)C4CC(=O)N(c5ccc(OC)cc5)C4)C3)c2)cc1C#N,XJBLNZSTVMVYSW-UHFFFAOYSA-N
-rxn:4:218655:224687,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cn2)CC1,JMBDTRDCBQKKQH-UHFFFAOYSA-N
-rxn:4:218656:225172,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,GFZHHOIMMYZVLT-UHFFFAOYSA-N
-rxn:4:218658:223501,CC(C)c1ccc(-c2ccc(SCc3nc(-c4ccc(-c5ccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c(Cl)c5)cc4)no3)nn2)cc1,WGNPVYXTTGFJKM-UHFFFAOYSA-N
-rxn:4:218664:225975,CN(C)c1ccc(C(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCOCC5)c4Cl)cn3)C2)cc1,BPHVPELIHOYIQV-UHFFFAOYSA-N
-rxn:4:218689:223836,COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccccc4-c4cc5c(OC)ncnc5n4C(=O)OC(C)(C)C)CC3)[nH]n2)cc1,VLOCJEXAHDNTCR-UHFFFAOYSA-N
-rxn:4:218690:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(CC(=O)N4CCN(c5cc(-c6ccc(OC)cc6)n[nH]5)CC4)cc3)c2)C1,RGDFBNBKSWZYKM-UHFFFAOYSA-N
-rxn:4:218698:227572,COC(=O)c1cccc(-c2ccc(N3CC(C(=O)N4CCN(CCc5ccncc5)CC4)CC3=O)cc2)c1Cl,MKDBLRJSLNICOP-UHFFFAOYSA-N
-rxn:4:218766:224089,CC1CCN(CCOc2ccc(-c3cnc(OCC4CCN(C(=O)Cc5cn(C)c6ccccc56)CC4)nc3)cc2)CC1,BVIHBPLNXRRYJZ-UHFFFAOYSA-N
-rxn:4:218785:222402,CCCNC(=O)Nc1ccc(-c2ccc3c(c2)-c2nnc(SCC)nc2OC(c2ccc(OC)c(OC)c2)N3C(C)=O)cc1,YRGZZLMTSCAAOG-UHFFFAOYSA-N
-rxn:4:218786:227118,Cc1c(-c2cccc3c4c([nH]c23)CCN(C(=O)CCC(=O)N2CCN(S(C)(=O)=O)CC2)C4)cc(Cl)cc1C1CC1,SJZYSRLNZXIFBO-UHFFFAOYSA-N
-rxn:4:218868:223055,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCNCC4)nc3C)cc2)no1,CVYBBEONDXFZTA-UHFFFAOYSA-N
-rxn:4:218868:226649,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccnc3N3CCOCC3)cc2)no1,QIGFVOBKUTWQGU-UHFFFAOYSA-N
-rxn:4:218881:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5)C4)nc3)cc2Cl)CC1,VXEYUXPIQUAGDE-UHFFFAOYSA-N
-rxn:4:218886:224807,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cc(C(F)(F)F)cc(OC(C)C)c3F)cn2)C1,DIOFYLLBFAKNKM-UHFFFAOYSA-N
-rxn:4:218889:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)on5)C4)nc3)c2)CC1,HSBDLXFHOGJHAX-UHFFFAOYSA-N
-rxn:4:218920:223522,COc1cnc(OC2CCN(C(=O)c3cncc(-c4cc(F)cc(N5CCC(O[Si](C)(C)C(C)(C)C)CC5)c4)c3)CC2)nc1,CUYQMODFFSJEIV-UHFFFAOYSA-N
-rxn:4:218948:228147,CCCc1cc(-c2cnc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cnc1Cl,XVUVOOLLKGSSJR-UHFFFAOYSA-N
-rxn:4:218977:222447,COc1ccc2c(c1-c1cnn(CC3CN(C(=O)c4ccc(N5C(=O)CCC5=O)cc4)C3)c1)N=C(NC(=O)OC(C)(C)C)C2,PEMLFTOJNZPRPO-UHFFFAOYSA-N
-rxn:4:218992:228097,CN(C)Cc1cncc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)c1,WQMPRVCTWJJFLC-UHFFFAOYSA-N
-rxn:4:218996:224289,Cc1noc(C)c1CN1CCC(COc2ncc(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3F)cn2)CC1,PUJNUQZEEQBPCQ-UHFFFAOYSA-N
-rxn:4:219002:222948,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)C2)c1=O,MBVVVYGAMYBNLU-UHFFFAOYSA-N
-rxn:4:219036:222584,Cc1nc(-n2cccc2)sc1C(=O)N1CCC(Oc2ncccc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,RLLWWXSFHYOQNX-UHFFFAOYSA-N
-rxn:4:219053:222584,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)cn2)CC1,OXQBZQSZQCCBCW-UHFFFAOYSA-N
-rxn:4:219053:225875,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(N5CCOCC5)cc4Cl)c3)cn2)CC1,JKNJIVSKFNGGAP-UHFFFAOYSA-N
-rxn:4:219076:225805,COc1ccc(Cl)cc1C(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(C(C)N5CCOCC5)s4)cc3)n[nH]2)CC1,AARINIMAOFFLEH-UHFFFAOYSA-N
-rxn:4:219093:223892,CCC(=O)C1=C(c2ccc(-c3ccc(OCCCN4CCN(C)CC4)cc3)cc2)N(C(=O)CC)n2cnnc2S1,GVIVVZGKDBOIKM-UHFFFAOYSA-N
-rxn:4:219120:224483,O=C(c1cncc(-c2ccc(OCCN3CCCCC3)cc2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,PLIVXMMMMLLTPP-UHFFFAOYSA-N
-rxn:4:219130:224193,CCN1CCN(Cc2cc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)ccc2F)CC1,HSEXYNORBZOTQF-UHFFFAOYSA-N
-rxn:4:219145:223998,COc1cc2ncnc(N3CCC(Oc4ccncc4-c4ccc(S(=O)(=O)N5CCC(C)CC5)c(F)c4)C3)c2cc1OC,DLGYXFCRBDIJSH-UHFFFAOYSA-N
-rxn:4:219275:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnn(CC4CN(c5ccc(C(F)(F)F)cn5)C4)c3)cc2)CC1,XRFQQDNQNKBWCX-UHFFFAOYSA-N
-rxn:4:219375:224830,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cc(C(F)(F)F)nn3C3CCCCO3)nn2)C1,DOSSMDCPDJCWLS-UHFFFAOYSA-N
-rxn:4:219381:226259,CCCCOc1ccc(-c2cnc(SC)nc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1Cl,QATKUEIJAPRGEN-UHFFFAOYSA-N
-rxn:4:219402:225553,CC(C)N(C)C(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1,RFOXBPUZSDTVHO-UHFFFAOYSA-N
-rxn:4:219405:222886,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(N4CCNCC4)cc3C#N)n2)CC1,BJNHCTXHPPFCFO-UHFFFAOYSA-N
-rxn:4:219414:222554,N#Cc1cc(-c2ccc(C(=O)NCc3ccccc3)c(Cl)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,KNEMXEMVPHJUOZ-UHFFFAOYSA-N
-rxn:4:219414:226477,CCCCOc1ncc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C#N)c1,KPVBWEDNTIPQHT-UHFFFAOYSA-N
-rxn:4:219439:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)c1,PNLWBNSOPCVIEN-UHFFFAOYSA-N
-rxn:4:219451:223524,COc1ccc2c(c1)c(-c1cn(C)nc1C(=O)N1CCCN(CC3CC3)CC1)cn2S(=O)(=O)c1ccc(C)cc1,PBWSUQZKOKEVNG-UHFFFAOYSA-N
-rxn:4:219452:226844,Cc1nc(-c2ccnc(C(=O)C(F)(F)F)c2)n(C2CCN(C(=O)OC(C)(C)C)CC2)n1,CLHNSSTYMQADBN-UHFFFAOYSA-N
-rxn:4:219455:222912,CC(C)CNS(=O)(=O)c1ccc(-c2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1,XYLYIPJYWYZBTC-UHFFFAOYSA-N
-rxn:4:219471:226236,CCCCOc1ncc(C)cc1-c1cnc(SC)nc1N1CCOC(C(=O)N2CCCC2)C1,WNJJECLQGSVDDT-UHFFFAOYSA-N
-rxn:4:219473:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)nc2OC)cc1OCC,PTANZDFURFFPRW-UHFFFAOYSA-N
-rxn:4:219475:224252,CC1CCCN(C(=O)c2ccc(-c3cccnc3OC3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)cc2F)C1,SDLZCELBLWORJO-UHFFFAOYSA-N
-rxn:4:219499:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(C#N)c1,MDTVRRSANRKMOC-UHFFFAOYSA-N
-rxn:4:219516:224017,CN1CC(CN2CCC(Oc3ncc(-c4ccc(N5CCCS5(=O)=O)cc4C(F)(F)F)cn3)CC2)CC1=O,DNNFLSCVSCDLOU-UHFFFAOYSA-N
-rxn:4:219533:224003,CSc1ncc(-c2cnc(Cl)c(-c3cccc(C(F)(F)F)c3)c2)c(N2CCCC(C(=O)N3CCOCC3)C2)n1,VWGSNRBZGGTSGF-UHFFFAOYSA-N
-rxn:4:219569:224404,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1[N+](=O)[O-],SHMGCKQQCBJHHD-UHFFFAOYSA-N
-rxn:4:219619:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1cnc2c(c1)c(C(=O)N(C)OC)nn2C1CCCCO1,HVACTYTZKOKKMV-UHFFFAOYSA-N
-rxn:4:219623:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)o1,UEMIDTVSGHVFIZ-UHFFFAOYSA-N
-rxn:4:219624:222740,CC(C)c1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nonc45)CC3)o2)cc(C2CCCNC2)n1,KLAQYWTWKWHROI-UHFFFAOYSA-N
-rxn:4:219659:224009,COc1ccc(-c2cnc(OC3CCCN(C(=O)c4c[nH]c5ccccc45)C3)nc2)cc1S(=O)(=O)N1CCOCC1,ACRABQGOQAJRBU-UHFFFAOYSA-N
-rxn:4:219692:225011,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(C4(C#N)CCCC4)c3F)c3cnc(Cl)nc32)CC1,AFBXLLQXQXEFKJ-UHFFFAOYSA-N
-rxn:4:219717:224321,Cc1ccnc(N2CC3CN(C(=O)Cc4ccc(-c5cccc(S(=O)(=O)N6CCC(C)CC6)c5)cc4)CC3C2)n1,IBKANWYVVLBUCA-UHFFFAOYSA-N
-rxn:4:219717:224818,Cc1ccnc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(S(=O)(=O)N6CCSCC6)cc5)cc4)CC3C2)n1,HPJROZVAVNQPDH-UHFFFAOYSA-N
-rxn:4:219737:223504,Cc1ccc(-n2c(=O)c3sccc3n(Cc3nc(-c4cccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c([N+](=O)[O-])c5)c4)no3)c2=O)cc1,CJZRAHGTARMNOE-UHFFFAOYSA-N
-rxn:4:219749:223569,CC(C)c1nn(Cc2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)cc2)c(=O)c2c1cnn2C(C)(C)C,AQXFPVOBRXZJCD-UHFFFAOYSA-N
-rxn:4:219762:227794,CC(=O)C1=C(c2ccc(-c3cc([N+](=O)[O-])cc(Cl)c3F)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,HEXZGOZIPSZDRU-UHFFFAOYSA-N
-rxn:4:219766:226504,CON(C)C(=O)c1ccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)cc1,NCUGJEHDIRTCLR-UHFFFAOYSA-N
-rxn:4:219904:222583,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)CC1,MFZZOOMNNBIATB-UHFFFAOYSA-N
-rxn:4:219955:223814,O=C(C1CN(c2ncc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cn2)CCO1)N1CCSCC1,GMPCMPBDPIIQJJ-UHFFFAOYSA-N
-rxn:4:219955:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)CC1,OCKPIIHVGLOODZ-UHFFFAOYSA-N
-rxn:4:219959:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)CC1,MYIGOKATNUSGSR-UHFFFAOYSA-N
-rxn:4:219959:226485,COCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)ccc1Cl,DAGKZADTDFNDMB-UHFFFAOYSA-N
-rxn:4:219988:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)c2Cl)CC1,FCEDEXDXLUMEIV-UHFFFAOYSA-N
-rxn:4:220149:223227,CC(NC1CC1)c1ccc(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)s1,LWNIKNXPCMBFSW-UHFFFAOYSA-N
-rxn:4:220194:224327,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5cccc(S(=O)(=O)N6CCCC(C)C6)c5)c(C)c4)C3C2=O)cc1,PHQZYVLNPGGNDK-UHFFFAOYSA-N
-rxn:4:220223:222965,CCCC(=O)NCc1ccc(-c2ccc(C3Cn4nnc(C(=O)N5CCC(C)CC5)c4CO3)cc2)cc1,MOCSZOYIWQKTAA-UHFFFAOYSA-N
-rxn:4:220425:222521,Cc1nc(N2CCN(C)CC2)c(C#N)c(C)c1-c1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1,NOERWFUKRSVNAX-UHFFFAOYSA-N
-rxn:4:220429:225116,CCCCOc1c(F)c(C)cc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)c1F,HAFURCXMDVEXCN-UHFFFAOYSA-N
-rxn:4:220540:224411,Cc1cc(C)cc(N2C(=O)C3N=NN(c4ccc(-c5ccc(S(=O)(=O)N(C)C)cc5C(F)(F)F)cc4)C3C2=O)c1,NQMMIOIYGYBXJL-UHFFFAOYSA-N
-rxn:4:221087:222772,CN(C(=O)Cc1ccccc1-c1ccc(Cl)c(C(=O)NC2CCCC2)c1)C1CN(c2nccnc2C#N)C1,JFCGCTPCZSEFNF-UHFFFAOYSA-N
-rxn:4:221088:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(OCC4CCCN(Cc5nnc(C(F)(F)F)o5)C4)nc3)cc2)CC1,AXEGPNBTVZARPK-UHFFFAOYSA-N
-rxn:4:221103:222916,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cccc(C(=O)NC5=NCCS5)c4)cn3)C2)cn1,MYWVUQPQQBCURC-UHFFFAOYSA-N
-rxn:4:221103:225276,CCCOc1cc(-c2cnc(OCC3CCCN(C(=O)Cn4cnc(C)cc4=O)C3)nc2)ccc1C(F)(F)F,SRPBFSWUAKQODS-UHFFFAOYSA-N
-rxn:4:221104:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)c4cc(-c5cccnc5)on4)C3)nc2)c(C(F)(F)F)c1,CORKLXFMJXTVHZ-UHFFFAOYSA-N
-rxn:4:221105:224371,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(N5CCC(C(=O)OC)CC5)nc4)cn3)C2)nc1C,FOTUTYIIASCDBL-UHFFFAOYSA-N
-rxn:4:221121:225645,Cc1ccn(-c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(C)c2)n1,GNINLXPKTQRABQ-UHFFFAOYSA-N
-rxn:4:221141:223985,COc1ccc(-c2cnccc2OC2CCN(c3nc(SC)ncc3C#N)C2)cc1S(=O)(=O)N1CCCCC1,ZGXSEDLOFZHRJY-UHFFFAOYSA-N
-rxn:4:221157:224194,CCN1CCN(Cc2ccc(-c3cncc(C(=O)N4CCN(CCn5ccnc5)CC4)c3)cc2Cl)CC1,WWAQDZIVDPDJSS-UHFFFAOYSA-N
-rxn:4:221172:223522,Cn1nc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(N5CCC(O[Si](C)(C)C(C)(C)C)CC5)c4)cn3)CC2)ccc1=O,IFKLFNZOFHMHJC-UHFFFAOYSA-N
-rxn:4:221173:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCCN(C(=O)c4ccc(=O)n(C)n4)C3)nc2)CC1,APGCAWSPIXRVII-UHFFFAOYSA-N
-rxn:4:221173:225898,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)C2)ccc1=O,JHRQRAAMVCTPKB-UHFFFAOYSA-N
-rxn:4:221181:223754,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCC(C)CC5)c(Cl)c4)cn3)C2)nn1C,URAJSCLLUZBJEH-UHFFFAOYSA-N
-rxn:4:221181:224756,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)ccc4C(=O)N4CCOCC4)cn3)C2)nn1C,ZMSAFOSELKJWTC-UHFFFAOYSA-N
-rxn:4:221207:223118,CCCC(=O)Nc1cccc(-c2ccc(CCN3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2)c1,SJDBTXVNENVFGJ-UHFFFAOYSA-N
-rxn:4:221207:223140,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,RGIVVNXPPPEIQZ-UHFFFAOYSA-N
-rxn:4:221209:223661,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4cc(C(=O)OCc5ccccc5)cc([N+](=O)[O-])c4)cc3)CC2)n1,LBSBOEIBIOTGMO-UHFFFAOYSA-N
-rxn:4:221233:223812,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)CC3)ccc2n1,CGOUFIUBMVRPJQ-UHFFFAOYSA-N
-rxn:4:221263:225721,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(C(=O)N(CC)CC)nc3)cc2)n(C)c1=O,UKAVYJCTYAKFIA-UHFFFAOYSA-N
-rxn:4:221264:225313,CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(N4CCN(C)CC4)nc3F)cc2)n(C)c1=O,XEZVOGKIGREKNI-UHFFFAOYSA-N
-rxn:4:221342:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5cnccn5)CC4)nc3)cc2F)CC1,MJMYXKMUGJMFCN-UHFFFAOYSA-N
-rxn:4:221375:223812,Cn1cnc(N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)cc1=O,WPTUXRDVLQVIRC-UHFFFAOYSA-N
-rxn:4:221395:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)cc2)C1,SSCHQKUUXAWSMY-UHFFFAOYSA-N
-rxn:4:221395:224126,CCN1CCN(C(C)c2cccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)c2)CC1,GOSRJOYHVNUJJE-UHFFFAOYSA-N
-rxn:4:221412:224759,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)CC2)n1,PRDZETXFHUUHSG-UHFFFAOYSA-N
-rxn:4:221413:225890,C[Si](C)(C)CCOCn1cc(-c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)o2)cn1,YFRPXJOZVSFPBV-UHFFFAOYSA-N
-rxn:4:221423:222967,CC(C)CNC(=O)c1cccc(-c2ccccc2CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,TUICUJPDDVJBAB-UHFFFAOYSA-N
-rxn:4:221424:222853,OC1CCN(Cc2ccc(-c3cccc(CN4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)cc2)CC1,FOJNNNZXCBMCDE-UHFFFAOYSA-N
-rxn:4:221424:226686,Cc1cnn(C2CCCCO2)c1-c1cccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,HLTDLZWRKLJVOL-UHFFFAOYSA-N
-rxn:4:221429:222967,CC(C)CNC(=O)c1cccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c1,NWKCSAGBFPWWMW-UHFFFAOYSA-N
-rxn:4:221442:223114,CCCNC(=O)c1cccc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1,YPTWNKCPKKOWCS-UHFFFAOYSA-N
-rxn:4:221455:225757,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)cc(C(C)C)n1,XCBQPJUFNNARPT-UHFFFAOYSA-N
-rxn:4:221491:225324,CC(C)CCn1cc(-c2cnc(N3CC4CCCC4(COc4ncc(F)cn4)C3)nc2)c(C(F)(F)F)n1,YUQPOIJUIMHDBW-UHFFFAOYSA-N
-rxn:4:221553:224830,CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(C(F)(F)F)nn3C3CCCCO3)cc2)n(C)c1=O,RURXZZHCKBEJJB-UHFFFAOYSA-N
-rxn:4:221702:224759,Cn1c(=O)c2c(nc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)n2CCN2CCOCC2)n(C)c1=O,HFSMJBQLDPSMMH-UHFFFAOYSA-N
-rxn:4:221780:222502,Cn1c(=O)n(Cc2ccc(-c3ccc(CNC(=O)c4cc(F)ccc4F)cc3)cc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1,ZEIDLKQIAJOQLD-UHFFFAOYSA-N
-rxn:4:221836:222891,COc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc(C2CCNCC2)n1,GFYNVIGUWGQUKQ-UHFFFAOYSA-N
-rxn:4:221836:224773,Cc1cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)ccc1S(=O)(=O)N1CCCC1,ZFHVOLIJYSBOBJ-UHFFFAOYSA-N
-rxn:4:221918:223576,CC(C)c1noc(-c2cn(C3CCN(C(=O)Cc4ccc(-c5cccc(OC6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)C3)nn2)n1,DZFSPYRRLWIJCW-UHFFFAOYSA-N
-rxn:4:221944:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(C(=O)N3CCN(Cc4nnnn4-c4ccccc4)CC3)o2)CC1,TZGYNDAZSGXBTH-UHFFFAOYSA-N
-rxn:4:221965:224468,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(-c6ccsc6)cc(C(C)(C)C)c5)cc4)CC3)nn2)CC1,GHYMBXDUMHFGNO-UHFFFAOYSA-N
-rxn:4:221965:226183,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnccc5C5CCCCC5)cc4)CC3)nn2)CC1,WWXYHTWYIWOUNJ-UHFFFAOYSA-N
-rxn:4:221977:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)c(F)c2)CC1,QREGIYXSJCGSET-UHFFFAOYSA-N
-rxn:4:221978:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(COc5ccc6nc(C7CC7)cn6n5)CC4)nc3)c2Cl)CC1,FDECLSIQLFMJOH-UHFFFAOYSA-N
-rxn:4:221979:225375,CCc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OC(F)(F)C(F)(F)F)cc6)cc5)no4)C3C2=O)cc1,YEZHRXNSRAFHIT-UHFFFAOYSA-N
-rxn:4:221985:224359,CCN(CC)C(=O)c1cc(-c2cc3c(cn2)nc(-c2cnn(C)c2)n3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1,KMRMPZARIFUMNG-HSZRJFAPSA-N
-rxn:4:222056:222695,Cc1ccc(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)cc1S(=O)(=O)NC1CCCC1,JDJWVVFLGHGWBJ-UHFFFAOYSA-N
-rxn:4:222108:224806,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)N(C)C7CC7)cc6F)cc5)no4)C3C2=O)cc1F,ALEPOZWDUBSCAS-UHFFFAOYSA-N
-rxn:4:222252:224312,CSc1ncc(-c2ccc(F)c(C(=O)N3CCN(C)CC3)c2)c(N(C)C2CN(c3nccnc3C#N)C2)n1,MAGXDEKZXNHEML-UHFFFAOYSA-N
-rxn:4:222360:222694,COCCn1cnc2c(N3CCN(c4ncc(-c5cccc(S(=O)(=O)NC6CCCCC6)c5)cn4)CC3)ncnc21,OVMBLPASWAPKQG-UHFFFAOYSA-N
-rxn:4:222362:222447,COc1ccc2c(c1-c1cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c1)N=C(NC(=O)OC(C)(C)C)C2,BTDHUXZKDJDPSS-UHFFFAOYSA-N
-rxn:4:222366:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cnc(N(C)C4CN(c5ccc6nnc(C7CCC7)n6n5)C4)nc3)c2)CC1,REYJMMKKIYPTQX-UHFFFAOYSA-N
-rxn:4:222380:222632,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(C(=O)NCCN7CCCC7)c6)cn5)CC4C3)ncnc21,KCYKRJZVDDHHHG-UHFFFAOYSA-N
-rxn:4:222389:215880,CCN1CCN(c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)CC1,WTPOEUCZUQQRSM-UHFFFAOYSA-N
-rxn:4:222432:206797,CS(=O)(=O)N1CCOC(c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)C1,KZKZBSGRFQPFJF-UHFFFAOYSA-N
-rxn:4:222432:206946,CS(=O)(=O)N1CCCC(c2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)n2)C1,PXYSFRRWTONAEG-UHFFFAOYSA-N
-rxn:4:222461:187968,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3c(F)cc(F)c4sc(NC(=O)OC(C)(C)C)nc34)ccc21,JBRUKIMTZKYCCS-UHFFFAOYSA-N
-rxn:4:222523:179490,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2S(C)(=O)=O)c(C(F)(F)F)c1,ZVINVXPELSYMAL-UHFFFAOYSA-N
-rxn:4:222523:187909,CC(C)N(C(=O)c1ccc2cc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)ccc2c1)C(C)C,LARLSYJLARPSKR-UHFFFAOYSA-N
-rxn:4:222613:174522,CCCNS(=O)(=O)c1ccc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)c(C(F)(F)F)c1,XEMPGDXGTDWFGB-UHFFFAOYSA-N
-rxn:4:222682:187285,COc1cccc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2C)c1NC(=O)OC(C)(C)C,NWDPYGXJFAAYRC-UHFFFAOYSA-N
-rxn:4:222784:174528,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(NC(=O)OC(C)(C)C)c(F)c1,UHIFOFXWCDEFOJ-UHFFFAOYSA-N
-rxn:4:222820:175597,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(=O)OC(C)(C)C)cc1F,DIXNYDVBXSEUEG-UHFFFAOYSA-N
-rxn:4:222820:185358,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2F)cc1F,BNBSBYZYDPHCAX-UHFFFAOYSA-N
-rxn:4:222820:187253,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(CCN3CCC(C(F)(F)F)CC3)ccc2F)cc1F,IZJPNCAGEHUGBX-UHFFFAOYSA-N
-rxn:4:222820:204604,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc1F,UUMHCCSTFBJRKM-UHFFFAOYSA-N
-rxn:4:222821:187941,CC(C)(C)NS(=O)(=O)c1cc(-c2cccc3cc([Si](C)(C)C)n(C(=O)OC(C)(C)C)c23)ccc1F,QFZKDEQQIMMWAP-UHFFFAOYSA-N
-rxn:4:222901:204054,CCCS(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)cc1,UZUFIKANWVTWOK-UHFFFAOYSA-N
-rxn:4:222901:204114,CCCS(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)cc1,CPNJQPLDSAFVNT-UHFFFAOYSA-N
-rxn:4:222941:187863,CONS(=O)(=O)c1c(C)cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3OC)cc1C,ZPWINGKYBDZQIS-UHFFFAOYSA-N
-rxn:4:222970:187633,CC(C)CNC(=O)c1ccccc1-c1cccc(C2(C)CN(C(=O)OC(C)(C)C)CCO2)c1,VYROYNAMTHZTPO-UHFFFAOYSA-N
-rxn:4:223071:204134,CCS(=O)(=O)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1,WOAXTCCYQNAXQO-UHFFFAOYSA-N
-rxn:4:223570:173914,COC(=O)CC(=O)c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c(OC)c1,PDZLNYCHLMSGCB-UHFFFAOYSA-N
-rxn:4:223570:175089,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(COS(C)(=O)=O)cc3C(F)(F)F)c(F)ncc21,WJEJGVRJNWLERH-UHFFFAOYSA-N
-rxn:4:223570:183939,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N(Cc4ccccc4)C(=O)OC(C)(C)C)cc3)c(F)ncc21,XWLQQSNAIUZZMZ-UHFFFAOYSA-N
-rxn:4:223581:187352,COC(=O)c1cccc2cc(-c3cnc([Si](C(C)C)(C(C)C)C(C)C)s3)n(C(=O)OC(C)(C)C)c12,YZBZVWPQXXEUHO-UHFFFAOYSA-N
-rxn:4:223671:197169,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cc4c3OCC(C#N)=C4)ccn2)CC1,XOSXYSJUWBALFY-UHFFFAOYSA-N
-rxn:5:176860:225833:225834,COC(=O)c1c(-c2ccnc(N3CCCCC3)c2F)ccc(OC)c1-c1cc(N2CCCCC2)ncc1F,MYRHSDUQXSANFR-UHFFFAOYSA-N
-rxn:5:177186:223008:223056,CCOC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2cc(C3CCNCC3)ccc2F)cc1C,IISDQQDNJZWTPQ-UHFFFAOYSA-N
-rxn:5:177186:225637:223062,CCOC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccccc2N2CCN(C)CC2)cc1C,YIEFBSNWRPSGIC-UHFFFAOYSA-N
-rxn:5:177186:226661:223064,CCOC(=O)c1cc(-c2ccc(C3CCNCC3)nc2F)c(-c2cc(N3CCN(C)CC3)cs2)cc1C,KOENGBJZHJSUJC-UHFFFAOYSA-N
-rxn:5:177190:225683:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3CCCOC3)nc2C)c1,FNSPKKRINQSRKW-UHFFFAOYSA-N
-rxn:5:177190:225805:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,BZQKLKGTDIEUBT-UHFFFAOYSA-N
-rxn:5:177190:227613:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cnn(C3CCOCC3)c2)c1,XNXGUVHMYGOIFD-UHFFFAOYSA-N
-rxn:5:177191:223064:225601,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCNCC5)nc4F)c3)c(F)c2)CCC1,LGYNAYDZGUUCAJ-UHFFFAOYSA-N
-rxn:5:177373:222985:226733,Cc1nc(C2CCCNC2)ccc1-c1cc(-c2ccc(S(=O)(=O)N(C)C)cc2)ccc1OCC1OCCO1,GGEWCJJJHMSCDC-UHFFFAOYSA-N
-rxn:5:177373:227803:223000,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(C3CCCNC3)c(F)c2)ccc1OCC1OCCO1,PWWXYQWJHLQRGF-UHFFFAOYSA-N
-rxn:5:177373:227803:223063,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cc(F)nc(C3CCNCC3)c2)ccc1OCC1OCCO1,AFDBNNPYDSSVRV-UHFFFAOYSA-N
-rxn:5:177373:227804:222996,O=[N+]([O-])c1cc(-c2cc(-c3ccc(F)cc3C3CCCNC3)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,XOMYDKWOSDYFDA-UHFFFAOYSA-N
-rxn:5:177729:223138:223054,CC(c1ccc(-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,LRFYHUBMSSTIBM-UHFFFAOYSA-N
-rxn:5:177729:226649:225438,CC(c1ccc(-c2cc(-c3cccnc3N3CCOCC3)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,WOTMLTPZQQYPKC-UHFFFAOYSA-N
-rxn:5:177734:223294:225980,Cc1cc(-c2csc(N3CCNCC3)n2)c(-c2cc(N3CCOCC3)ncc2F)cc1C(=O)OC(C)C,VZOGRZWNDJUBSU-UHFFFAOYSA-N
-rxn:5:177736:225439:223061,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cc(C3CCNCC3)ncc2F)c1)N1CCCC1,FWOZUZWYFAGCHM-UHFFFAOYSA-N
-rxn:5:177739:223065:225438,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2ccc(N3CCNCC3)cc2F)cc1)N1CCCC1,DLIAQQJQAYZFKC-UHFFFAOYSA-N
-rxn:5:177891:222405:227437,O=C1NC(=O)C(c2cccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccnc(C4CCCO4)c3)c2)N1,QIHLBYQDWUPXJX-UHFFFAOYSA-N
-rxn:5:177891:222959:227657,Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(N3CCOCC3)s2)ccc1C1CCNCC1,UYGRPJNQIZVGFE-UHFFFAOYSA-N
-rxn:5:177891:223139:225831,Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCNCC3)nc2)cnc1N1CCOCC1,IYUNHAWEPLFIIV-UHFFFAOYSA-N
-rxn:5:177891:223146:226649,O=C(SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1)c1ccccc1-c1cccc(C2CNCCO2)c1,DUYYVBZXTMZHJJ-UHFFFAOYSA-N
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-rxn:5:178313:225451:228002,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCCC3)cc2)c(-c2sccc2C2CCCC2)c1,JXPAZMMAPBTQDX-UHFFFAOYSA-N
-rxn:5:178313:226069:226842,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3CCCCC3)c2)c(-c2cncc(C(=O)C(F)(F)F)c2)c1,URPWHQMBCJPYTK-UHFFFAOYSA-N
-rxn:5:178313:226084:226062,CC(C)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc3c(c2)C(=O)CCCC3)cc(C(C)C)c1,YZIDLSUBJPKBKH-UHFFFAOYSA-N
-rxn:5:178313:227035:225499,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C#N)cc(C3CC3)c2)c(-c2ccc(C3CCCCC3)cc2F)c1,GFEKPSRURHLHPG-UHFFFAOYSA-N
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-rxn:5:179417:225805:225456,CCS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3CCN(C)CC3)cc2)c1,LXTFHRXVXGNRQI-UHFFFAOYSA-N
-rxn:5:179418:225622:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccccc2OC2CCCCO2)s1)N1CCOCC1,GKMAANDJLOOKEW-UHFFFAOYSA-N
-rxn:5:179629:225784:223064,COc1ccc(-c2ccc(CN3CCOCC3)nc2)c(S(C)(=O)=O)c1-c1ccc(C2CCNCC2)nc1F,RUJWQRJYOHMPEA-UHFFFAOYSA-N
-rxn:5:179840:222987:226898,Cc1nc(C2CCNCC2)ccc1-c1ccc(O[C@@H]2CCOC2)cc1-c1cn(S(=O)(=O)N(C)C)nc1C,LCGDJQFLAKPPDT-JOCHJYFZSA-N
-rxn:5:180022:223135:225926,COc1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc(-c2cccnc2C2CCCNC2)c1C1OCCO1,CLOARUMFASHXOD-UHFFFAOYSA-N
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-rxn:5:180022:225926:223135,COc1c(-c2cccnc2C2CCCNC2)ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1C1OCCO1,KCLAUORISKYIFH-UHFFFAOYSA-N
-rxn:5:180022:225926:223140,COc1c(-c2ccnc(C3CCCNC3)c2)ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1C1OCCO1,PWDRUZWNEPHQBT-UHFFFAOYSA-N
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-rxn:5:180662:222988:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3cc(C)nc(C4CCNCC4)c3)c2OC1,ZIOJRMSNWBLSBQ-UHFFFAOYSA-N
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-rxn:5:180662:225640:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccnc(N4CCCCC4C)c3)c2OC1,RTLHZCZDIRZRFH-UHFFFAOYSA-N
-rxn:5:180662:226148:223141,COC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,POAYGTOKAJCISH-UHFFFAOYSA-N
-rxn:5:180662:226446:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccc(C4CCOC4)nc3C)c2OC1,UCWVQLARUYQBPH-UHFFFAOYSA-N
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-rxn:5:181904:225684:222957,Cc1cc(-c2c(-c3ccc(C4CCOCC4)nc3C)ccc(C3OCCO3)c2C)cc(C2CCCNC2)c1,KWBLPAVYGBVHPS-UHFFFAOYSA-N
-rxn:5:181904:226652:225683,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C3CCCOC3)nc2C)n(C2CCCCO2)n1,JIWOLZRJSWROIV-UHFFFAOYSA-N
-rxn:5:181907:223137:225832,Cc1cc(-c2cncc(C3CCCNC3)c2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,ZKGISTJWDVQSCQ-UHFFFAOYSA-N
-rxn:5:181907:225832:227390,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2ccnn2C2CCCCC2)c(C2OCCO2)c1,GQWSEVWEOFGLIZ-UHFFFAOYSA-N
-rxn:5:181907:226064:225805,Cc1cc(-c2ccc(C3CCCCC3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1,CIYPFOOIEGLUTA-UHFFFAOYSA-N
-rxn:5:181908:223058:223064,Cc1cc(-c2cc(F)nc(C3CCCNC3)c2)c(-c2ccc(C3CCNCC3)nc2F)cc1C1OCCO1,QJSZYNQOBAOAIA-UHFFFAOYSA-N
-rxn:5:181908:223062:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cnc(C3CCNCC3)cc2F)cc(C2CCCNC2)c1,PJFHIMWUVLYFBY-UHFFFAOYSA-N
-rxn:5:181908:225986:225805,Cc1cc(-c2ccccc2N2CCCS2(=O)=O)c(-c2ccc(C(C)N3CCOCC3)s2)cc1C1OCCO1,LUMAPUMTBWITRI-UHFFFAOYSA-N
-rxn:5:182011:225832:223148,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1ccccc1C1CNCCO1,MVIUUNTWNPVMGH-UHFFFAOYSA-N
-rxn:5:182012:225451:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(SC3CCCCC3)cc2)cc1C1CCCOC1,SMBHTYVAJRAICL-UHFFFAOYSA-N
-rxn:5:182012:225832:227386,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCCCC3)c2)c(C2CCCOC2)c1,WHXWGSQAPINSFD-UHFFFAOYSA-N
-rxn:5:182013:225451:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(SC3CCCCC3)cc2)cc1C1CCOCC1,GEBFCSJFNVISAP-UHFFFAOYSA-N
-rxn:5:182013:225472:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(N3CCCCC3C)c2)cc1C1CCOCC1,PLWGOMKPGKWIHX-UHFFFAOYSA-N
-rxn:5:183229:222998:225605,Cc1cnc(OC2CCCC2)c(-c2cc(-c3cc(F)cc(C4CCCNC4)c3)cc3c2SCCC3(C)C)c1,NCPHLWUIWIXSTG-UHFFFAOYSA-N
-rxn:5:183229:225928:225814,Cc1ccc(-c2cc(-c3cccc(C4(C(F)(F)F)CC4)c3)c3c(c2)C(C)(C)CCS3)cc1S(=O)(=O)N(C)C,WBYDWNAIBPSKGE-UHFFFAOYSA-N
-rxn:5:188448:225588:223062,COC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)c([N+](=O)[O-])cc1-c1ccccc1CN1CCSCC1,ACIQDILHOWZISW-UHFFFAOYSA-N
-rxn:5:188459:223006:223062,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1cnc(C2CCNCC2)cc1F,URUZASXIYPUXRJ-UHFFFAOYSA-N
-rxn:5:188633:225833:223064,COC(=O)c1c(-c2ccnc(N3CCCCC3)c2F)cnc(OC)c1-c1ccc(C2CCNCC2)nc1F,YOXBROPUZBKGNX-UHFFFAOYSA-N
-rxn:5:188867:226661:223062,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ncc1-c1cc(N2CCN(C)CC2)cs1,QURSWYYQHIKBSF-UHFFFAOYSA-N
-rxn:5:188930:223062:226444,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(C2CCCO2)nc1C,MDAINBBFLGQBBW-UHFFFAOYSA-N
-rxn:5:188930:226649:227657,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)cc1-c1ccc(N2CCOCC2)s1,GHQNVVPXJXGKIV-UHFFFAOYSA-N
-rxn:5:189079:226427:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cc(N3CCC(C)CC3)cs2)c1,FTFZMPWXMIOGAO-UHFFFAOYSA-N
-rxn:5:189079:226427:225976,CCN(C)C(=O)c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2cc(N3CCC(C)CC3)cs2)c1,SPIBDXFLFWTRBR-UHFFFAOYSA-N
-rxn:5:189207:222421:226464,COc1ccc2c(c1-c1ccc(-c3cncc(S(N)(=O)=O)c3)cc1C(=O)ON1C(=O)CCC1=O)OCCO2,MSAKTZNHTZMIEN-UHFFFAOYSA-N
-rxn:5:189207:227545:227804,CCOc1ccc(F)c(-c2ccc(-c3cc([N+](=O)[O-])sc3[N+](=O)[O-])c(C(=O)ON3C(=O)CCC3=O)c2)c1F,DMBNFIHADPMHJA-UHFFFAOYSA-N
-rxn:5:189209:225465:226199,CC(C)n1ncc2cc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cccc(C5CCN(C)CC5)c4)c3)ccc21,NHICQRARNXNZFN-UHFFFAOYSA-N
-rxn:5:189209:226320:227968,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cnccc4C4CCC4)c3)c2)CC1,QMFJURWFOUILFD-UHFFFAOYSA-N
-rxn:5:189209:227837:223062,Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnc(C4CCNCC4)cc3F)c2)cc(C2CC2)c1,CAOAIPSLNPIFNE-UHFFFAOYSA-N
-rxn:5:189209:227959:223002,Cc1cnc(C2CC2)c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCNCC4)cc3F)c2)c1,CHCICDITALHUAN-UHFFFAOYSA-N
-rxn:5:189209:228140:223062,CC(c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnc(C4CCNCC4)cc3F)c2)s1)N(C)C,TUSLBRWDTUPVIQ-UHFFFAOYSA-N
-rxn:5:189209:228140:226174,CC(c1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCCCC4)nc3)c2)s1)N(C)C,OYUUFGDZLVFEDN-UHFFFAOYSA-N
-rxn:5:189209:229082:225634,Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(N(C)C)cs3)c2)cnc1N1CCCCC1,YHCGBWPYWPHCSM-UHFFFAOYSA-N
-rxn:5:189210:227023:223138,CC(c1ccc(-c2cccc(-c3ccnc(C4CCNCC4)c3)c2C(=O)ON2C(=O)CCC2=O)cc1)N(C)C,MIKPEYUURKCWII-UHFFFAOYSA-N
-rxn:5:189321:226738:225874,CC(=O)c1ccc(-c2ccc(-c3ccc(F)c(N4CCOCC4)c3)c(C(=O)OC(C)(C)C)n2)c([N+](=O)[O-])c1,HMURUFFTLWHTHS-UHFFFAOYSA-N
-rxn:5:189449:226914:223062,COC1CN(C(=O)c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc(CC(C)C)cc2C)C1,MJTDZOTVYRDSDU-UHFFFAOYSA-N
-rxn:5:189512:225976:226427,CC1CCN(c2csc(-c3cccc(S(=O)(=O)c4cc(-c5ccnc(N6CCOCC6)c5F)ccc4[N+](=O)[O-])c3)c2)CC1,NKVMNAYCPYZFQI-UHFFFAOYSA-N
-rxn:5:189512:226583:223063,O=[N+]([O-])c1ccc(-c2ccc(CN3CCOCC3)s2)cc1S(=O)(=O)c1cccc(-c2cc(F)nc(C3CCNCC3)c2)c1,QZYJSMNDXFWLNL-UHFFFAOYSA-N
-rxn:5:189513:222985:223063,Cc1nc(C2CCCNC2)ccc1-c1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccc(-c3cc(F)nc(C4CCNCC4)c3)cc2)c1,JTKWWWVGCRWEDI-UHFFFAOYSA-N
-rxn:5:189670:225498:226907,CC(C)(C)S(=O)/N=C/c1cc(-c2cc(C3CCCCC3)ccc2F)ccc1-c1cccc2c1CCC21CC1,YHYXLUFPFLHTMP-HPNXWYHWSA-N
-rxn:5:189672:226069:226067,CC(C)(C)S(=O)/N=C/c1cccc(-c2cccc(C3CCCCC3)c2)c1-c1ccc(C2=CCCCC2)cc1,VAGBXDJOZSHEGD-YRRMYEEHSA-N
-rxn:5:189673:225440:226918,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3(C#N)CCCC3)cc2)cc1-c1ccc(C2=CCCC2)cc1,HYOHPEILGRZBFB-GOJREDGKSA-N
-rxn:5:189674:226067:226190,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCC3)cc2F)cc1-c1ccc(C2=CCCCC2)cc1,ANRJRQGCDXHMIM-GOJREDGKSA-N
-rxn:5:189676:226085:223002,CC1(C)CCc2cc(-c3cc(CC(=O)N4CCCC4)ccc3-c3ccc(C4CCNCC4)cc3F)ccc2O1,DUBXAQZCEBBHCX-UHFFFAOYSA-N
-rxn:5:189718:225589:223088,O=[N+]([O-])c1cc(-c2ccnc3[nH]c(C(F)(F)F)cc23)c(-c2ccc(CN3CCSCC3)cc2)cc1OC1CCOCC1,XWYBRBGMTXANRY-UHFFFAOYSA-N
-rxn:5:189909:226794:226366,c1cc(-c2ccc(-c3cnc(N4CCSCC4)nc3)c(CCN3CCOCC3)c2)cc(N2CCCCC2)n1,GBQXUJWGLHULEJ-UHFFFAOYSA-N
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-rxn:5:189952:227496:223064,CCN(C)c1cc(F)c(-c2cc(C(=O)N3CCOCC3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC)cn1,TUTZCPCVEMCQHD-UHFFFAOYSA-N
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-rxn:5:190127:225451:228557,COCc1cccc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2C(=O)N2CCC(OC)CC2)c1,SAFFHKKCJVEHCA-UHFFFAOYSA-N
-rxn:5:190127:225453:228518,CC#Cc1ccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2C(=O)N2CCC(OC)CC2)cc1,TYVYVOATDILNRH-UHFFFAOYSA-N
-rxn:5:190127:228101:225931,COC1CCN(C(=O)c2cc(-c3cc(C#N)cc(C#N)c3)ccc2-c2cc(C)cc(S(=O)(=O)N(C)C)c2)CC1,QVXJIHWVPCYBRX-UHFFFAOYSA-N
-rxn:5:190128:225794:226781,COC1CCN(C(=O)c2ccc(-c3cnc(OC4CCCCC4)nc3)c(-c3cc(C)cc(OC(F)(F)F)c3)c2)CC1,RBVIDZFSBAXHPG-UHFFFAOYSA-N
-rxn:5:190128:226146:227911,CCc1ccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(SC3CCCC3)cc2)cc1C#N,KCEQLCOEDXOYOC-UHFFFAOYSA-N
-rxn:5:190128:228908:225813,COc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cc(F)c(OC(C)C)c(F)c2C)c(F)cn1,XXIBQWYHGMEVSR-UHFFFAOYSA-N
-rxn:5:190194:223146:227710,COC1CCN(Cc2cccc(-c3cccc(C4CNCCO4)c3)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,GOBXDTRRFBCUJW-UHFFFAOYSA-N
-rxn:5:190194:226444:226769,COC(=O)c1cc(F)c(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCO3)nc2C)c1,QTSBXDKQEZJXQM-UHFFFAOYSA-N
-rxn:5:190194:227710:223146,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2cccc(C3CNCCO3)c2)CC1,LQMFHQFUSKFZNO-UHFFFAOYSA-N
-rxn:5:190196:227449:227710,CN(Cc1ccc(-c2ccc(C3CCOCC3)s2)cc1-c1ccc(OS(C)(=O)=O)cc1)C1CCOCC1,WBEFHLITLKFIHA-UHFFFAOYSA-N
-rxn:5:190197:223378:223061,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cnc2c(c1)NCCO2)C1CCOCC1,WSGQUIDCBICKOH-UHFFFAOYSA-N
-rxn:5:190199:223200:226869,CN(Cc1cc(-c2cc(F)cc(OC(F)(F)F)c2)ccc1-c1ccc(C2CCNC2)cc1)C1CCOCC1,DLZSLUZVMXXUTP-UHFFFAOYSA-N
-rxn:5:190199:227710:227449,CN(Cc1cc(-c2ccc(C3CCOCC3)s2)ccc1-c1ccc(OS(C)(=O)=O)cc1)C1CCOCC1,YNRZKGMEDIYPDP-UHFFFAOYSA-N
-rxn:5:190231:226664:225982,COc1c(-c2cnc(N3CCOCC3)cc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(N2CCCC2)ncc1F,LAPQTKMBBFUCFX-UHFFFAOYSA-N
-rxn:5:190264:225815:223146,CC1CCN(C(=O)Cc2ccc(-c3cccc(C4CNCCO4)c3)c(-c3ccc(C4CC4)cc3C(F)(F)F)c2)CC1,MAJBZBHVONZLOX-UHFFFAOYSA-N
-rxn:5:190299:223384:223138,CNC(=O)c1ccc(-c2ccc(OC)c(C=C3SC(=O)N(c4ccc(-c5ccnc(C6CCNCC6)c5)cc4)C3=O)c2)cn1,LGZOLFMSXKOZEX-UHFFFAOYSA-N
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-rxn:5:193967:228629:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(C3CCC3)s2)ccc1CN1CCC2(CC1)OCCO2,NUTGRSJMQMJWTB-UHFFFAOYSA-N
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-rxn:5:196791:225655:225976,CC1CCN(c2cncc(-c3cccc(N4CCOCC4=O)c3-c3ccnc(N4CCOCC4)c3F)c2)CC1,QTPSGGRGFSGIPB-UHFFFAOYSA-N
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-rxn:5:196871:226686:222985,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCCNC3)nc2C)cc1N1CCOCC1,LYRZAAONZHQJCE-UHFFFAOYSA-N
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-rxn:5:196978:225514:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cccc3c2OCC2(CC2)CO3)ccc1N1CCCCC1,SCPFKGKOEHQQED-UHFFFAOYSA-N
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-rxn:5:197876:226325:227338,CC(C)Oc1ccc(F)c(-c2cc3c(cc2-c2ccc(C(C)(C)C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WKSRIDQCGCOMTQ-UHFFFAOYSA-N
-rxn:5:197876:226331:225456,CN1CCC(c2ccc(-c3cc4c(cc3-c3ccc(C5(C#N)CC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,YYWRDCCYADDIIG-UHFFFAOYSA-N
-rxn:5:197876:226331:227124,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,QWRGVTYGOXCKMZ-UHFFFAOYSA-N
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-rxn:5:197876:226594:227815,CCC(C)c1ccccc1-c1cc2c(cc1-c1c(F)cc(OC(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,MQLAMDYKJXOOPT-UHFFFAOYSA-N
-rxn:5:197876:226598:226913,CCc1cc(-c2cc3c(cc2-c2cc(OC(C)C)c(F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,HFEPUSWQWNLIHQ-UHFFFAOYSA-N
-rxn:5:197876:226601:227917,CCc1ccc(OC)c(-c2cc3c(cc2-c2c(OC(C)C)ccc(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ACTSEHJMHXWDMQ-UHFFFAOYSA-N
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-rxn:5:197876:226747:228253,CCc1ncc(-c2cc3c(cc2-c2ccc(P(C)(C)=O)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,ICZLHGMTPYGZKX-UHFFFAOYSA-N
-rxn:5:197876:226753:228253,COc1ccc(-c2cc3c(cc2-c2ccc(P(C)(C)=O)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(F)(F)F)c1,LQPLVHYELFKAEA-UHFFFAOYSA-N
-rxn:5:197876:226761:228107,CCC(C)c1ncncc1-c1cc2c(cc1-c1ccc(SC)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,GXPCRFHBCVHFMU-UHFFFAOYSA-N
-rxn:5:197876:226762:227299,CSc1cc(-c2cc3c(cc2-c2cc(F)cc(CN(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,PDRFRQPWMOMAJU-UHFFFAOYSA-N
-rxn:5:197876:226762:228566,CSc1cc(-c2cc3c(cc2-c2ccsc2CC(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,VMUAZDADGISEHO-UHFFFAOYSA-N
-rxn:5:197876:226782:227311,CCC(C)c1cc(F)c(-c2cc3c(cc2-c2cc(F)c(C(=O)OC)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,QZYUWPFHXTTWQO-UHFFFAOYSA-N
-rxn:5:197876:226826:227831,CCc1c(C)cc(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,DPORVBFLMZSTRI-UHFFFAOYSA-N
-rxn:5:197876:226826:228567,CCC(C)c1sccc1-c1cc2c(cc1-c1cc(C)cc(C(F)(F)F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,HIPLSDCNJHAMNN-UHFFFAOYSA-N
-rxn:5:197876:226849:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1ccnc(OC)c1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,FMUOOGCDPLAUSM-UHFFFAOYSA-N
-rxn:5:197876:226857:227412,CC(C)(C)c1cc(F)c(-c2cc3c(cc2-c2cc(OC(F)(F)F)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,JIRXJYVSAQFQJL-UHFFFAOYSA-N
-rxn:5:197876:226910:226084,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(=O)CCCC4)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,SUYQINZAKRGMAR-UHFFFAOYSA-N
-rxn:5:197876:226920:227402,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cc(F)nc(C(C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,RGRJGZFNWCOVSF-UHFFFAOYSA-N
-rxn:5:197876:226921:227346,CCCc1cc(F)c(-c2cc3c(cc2-c2cc(C4CC4)c(C)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,JWSMKYREMGZIKJ-UHFFFAOYSA-N
-rxn:5:197876:226922:227409,Cc1cc(C2CC2)cc(C)c1-c1cc2c(cc1-c1cc(C(C)(C)C)ncc1F)C(=O)N(C(C)(C)C)S2(=O)=O,PSGYEQCTPZOYRL-UHFFFAOYSA-N
-rxn:5:197876:226926:227117,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cc(C3CC3)cc(C)c1F)C(=O)N(C(C)(C)C)S2(=O)=O,ONERULDZSPCVRL-UHFFFAOYSA-N
-rxn:5:197876:226959:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccc3c(c1)CC(C)(C)O3)S(=O)(=O)N(C(C)(C)C)C2=O,DAUFNSVEQYIQJC-UHFFFAOYSA-N
-rxn:5:197876:226973:227722,CC1(C)COc2ccc(-c3cc4c(cc3-c3cccc(SC(F)(F)F)c3)C(=O)N(C(C)(C)C)S4(=O)=O)cc21,JEJZWLLKOPOKEV-UHFFFAOYSA-N
-rxn:5:197876:226974:227045,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2ccc4c(c2)COC4(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BWUGSYRSSWBPGH-UHFFFAOYSA-N
-rxn:5:197876:227036:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C4CC4)ccc2C#N)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,KZMCBENGNOXHEZ-UHFFFAOYSA-N
-rxn:5:197876:227045:227338,CC(C)Oc1ccc(F)c(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QCNZMUMZTZPBDS-UHFFFAOYSA-N
-rxn:5:197876:227046:226918,Cc1cc(OC(C)C)cc(-c2cc3c(cc2-c2ccc(C4=CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,AMRALYXBAVRQAC-UHFFFAOYSA-N
-rxn:5:197876:227052:226438,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cnc(C4CCCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,JKARNGITZREEMP-UHFFFAOYSA-N
-rxn:5:197876:227052:227748,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(F)c(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,GAMLYTMQPICMNU-UHFFFAOYSA-N
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-rxn:5:197876:227076:227659,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc(C(F)(F)F)c2C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,OBOOPLGKXBPGKY-UHFFFAOYSA-N
-rxn:5:197876:227076:227724,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(OC(F)F)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SVFKZFXBWDZXHO-UHFFFAOYSA-N
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-rxn:5:197876:227078:226085,COc1ccc(C2CC2)c(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,JIGWLDSKODENRJ-UHFFFAOYSA-N
-rxn:5:197876:227084:227115,Cc1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cc1C1CC1,LNIRJPXIZFKHGS-UHFFFAOYSA-N
-rxn:5:197876:227102:223203,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc(C4(O)CCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,YERUMVIJXNIJBF-UHFFFAOYSA-N
-rxn:5:197876:227113:227052,Cc1cc(F)c(C2CC2)cc1-c1cc2c(cc1-c1ccc(SC(C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,YBDDGISINLTKHU-UHFFFAOYSA-N
-rxn:5:197876:227117:223263,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CC4)cc(C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HNPDVYXEIMPZRM-UHFFFAOYSA-N
-rxn:5:197876:227120:227050,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC(C)C,ADSLWCDKAXUAAK-UHFFFAOYSA-N
-rxn:5:197876:227120:227589,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2ccc(C4CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UBBGPRUTFYKGPQ-UHFFFAOYSA-N
-rxn:5:197876:227124:223190,CNS(=O)(=O)c1ccc(F)cc1-c1cc2c(cc1-c1ccc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SPIBLFXMDNBTOT-UHFFFAOYSA-N
-rxn:5:197876:227124:225395,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,WZWSBBGXPGAIAR-UHFFFAOYSA-N
-rxn:5:197876:227124:226085,CC1(C)CCc2cc(-c3cc4c(cc3-c3ccc(C(C)(C)C)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2O1,ANPINYKAMOOGQF-UHFFFAOYSA-N
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-rxn:4:178384:226353,COc1cc(C2CC2)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,HHVRJPHAADHESD-UHFFFAOYSA-N
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-rxn:4:181096:223492,CSc1c(F)cccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,MJVBKXZWCOBFHP-UHFFFAOYSA-N
-rxn:4:181935:223536,Cc1cc(C2CC2)cc(C)c1-c1cc(F)c(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,PKXNUUZEMVXWFT-UHFFFAOYSA-N
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-rxn:4:183273:227109,Cc1cc(Cl)c(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,SULIPBAYKBLZBY-UHFFFAOYSA-N
-rxn:4:183273:228999,C#Cc1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,IXURUGOFNLOFRQ-UHFFFAOYSA-N
-rxn:4:183274:228779,COc1ccc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,GRTQYHDEPZZVIM-UHFFFAOYSA-N
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-rxn:4:183712:224392,CCCN(CCC)S(=O)(=O)c1ccc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1,XIJQXNUKXGFOOO-UHFFFAOYSA-N
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-rxn:4:183751:223830,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(C)c(S(=O)(=O)N4CCN(CC)CC4)c3)c2)SC1=S,YNLSTUYDAZSDEM-UHFFFAOYSA-N
-rxn:4:183794:224842,CCN(CC)C(C)(C(=O)OC)c1ccc(F)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1,KKDNWYDVKKOBMM-UHFFFAOYSA-N
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-rxn:4:183823:223787,CN1CCN(CCCOc2ccc(-c3ccc(Cl)c(CN(C(=O)OC(C)(C)C)C4CC4)c3)cc2F)CC1,GNRRYNKQQWXCLI-UHFFFAOYSA-N
-rxn:4:183825:224723,CCN(CC)S(=O)(=O)c1ccc(-c2cc(Cl)cc(CN(C(=O)OC(C)(C)C)C3CC3)c2)c(C)c1,AWJCGJDYKGGWOS-UHFFFAOYSA-N
-rxn:4:183829:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(F)c(CN(C(=O)OC(C)(C)C)C2CC2)c1,WDQCSRDQYYJKEE-UHFFFAOYSA-N
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-rxn:4:183842:223845,CC1CN(CCOc2cc(OC(F)(F)F)ccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)CCO1,WEGVZILSUKITMU-UHFFFAOYSA-N
-rxn:4:183884:222933,CC(C)(C)OC(=O)Nc1ncc(-c2cccc(F)c2OCC2CN(C(=O)OC(C)(C)C)C2)cn1,WAHUMXGRSUVGQD-UHFFFAOYSA-N
-rxn:4:183930:225568,COC(=O)C(C)(C)c1ccc(-c2cc(C)ccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1,DRDXBBJUOXIWRX-UHFFFAOYSA-N
-rxn:4:183935:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cc(OC)c(OC)cc2C(=O)N(C(C)C)C(C)C)cc1,FJFUIMOJKLZITN-UHFFFAOYSA-N
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-rxn:4:183937:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CCC2)cc1,SCLPWLXVKUJWKU-UHFFFAOYSA-N
-rxn:4:183960:222721,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(C2CCNCC2)nc(C(F)(F)F)c1,NIXZIUDAJGKWDL-UHFFFAOYSA-N
-rxn:4:183970:223170,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cnc(C4CCCNC4)nc3)ccc2OC)CC1,KUVAUERKMUKYML-UHFFFAOYSA-N
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-rxn:4:184002:224853,CC1(C)CCC(c2ccc(-c3ccc(C(=O)C4CCN(C(=O)OCc5ccccc5)CC4)cc3)cc2)CC1,NPUUMETXWIPVKF-UHFFFAOYSA-N
-rxn:4:184049:223155,CCNC(=O)c1cc(Cl)cc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1,VWQRSVDXHVPLBG-UHFFFAOYSA-N
-rxn:4:184053:223182,CCNS(=O)(=O)c1ccc(-c2cc(CN(C)C(=O)OC(C)(C)C)cc(C(C)(C)C)c2)cc1,LPMPLQYAWQGAOD-UHFFFAOYSA-N
-rxn:4:184060:224126,CCN1CCN(C(C)c2cccc(-c3ccc(C(=O)COC(=O)C4CC(=O)N(c5cc(C)ccc5C)C4)cc3)c2)CC1,YJCXATVMPLCVGQ-UHFFFAOYSA-N
-rxn:4:184067:223984,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(Oc3ccc(F)cc3[N+](=O)[O-])cc2)cc1)C1CCC(F)(F)CC1,DZHFOLWSHZNEGA-UHFFFAOYSA-N
-rxn:4:184067:224048,CCCOc1ccc(-c2ccc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(F)(F)CC4)cc3)cc2)cc1,MXGCSUNPGOONTN-UHFFFAOYSA-N
-rxn:4:184068:223974,CC1CCN(c2ccc(-c3ccccc3CCC(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)c(C(F)(F)F)c2)CC1,UNDLIXBRCXZLAK-UHFFFAOYSA-N
-rxn:4:184069:225907,CCCc1ncc(-c2ccc(OC)cc2C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc1C(F)(F)F,RJZKFRIZFXKHBR-UHFFFAOYSA-N
-rxn:4:184070:228563,COC(=O)C1(c2ccc(-c3cc(CC(C)C)cs3)cc2C)CCN(C(=O)OC(C)(C)C)C1,CLVCLDRNCCGMRG-UHFFFAOYSA-N
-rxn:4:184074:223891,CCc1ccc(CN(C(=O)c2ccccc2-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)C2CCS(=O)(=O)C2)cc1,FHFFJZNVLXWWHM-UHFFFAOYSA-N
-rxn:4:184091:226716,COc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(OC)cc1-c1ccn(C(=O)OC(C)(C)C)n1,SIBISBMFHIXEOJ-UHFFFAOYSA-N
-rxn:4:184092:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)o2)cc1,ITWWEMINCIRPAC-YMQLSTQVSA-N
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-rxn:4:184099:228646,Cc1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc(F)c1C,COFIEORYPCSPRT-UHFFFAOYSA-N
-rxn:4:184132:225200,COC(=O)c1cc(-c2ccc(F)c(OC3CCCC3)c2F)cc2c1ccn2CC(=O)OC(C)(C)C,YYOFKKAFXFGEKK-UHFFFAOYSA-N
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-rxn:4:187152:226020,O=C(Cc1ccc(F)cc1-c1ccc(OC(F)(F)C(F)F)cc1)N1CCC(C(F)(F)F)CC1,UFHHOCFDHSJUNV-UHFFFAOYSA-N
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-rxn:4:190428:224393,CC(C)(C)c1cc(CN2CCC(F)(F)C2)cc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)c1,AMRJNNDJQZVCEZ-UHFFFAOYSA-N
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-rxn:4:191090:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1cccc2c1C(C)(C)CN(C(=O)OC(C)(C)C)C2,BTLILCWSMZKHNU-UHFFFAOYSA-N
-rxn:4:191091:224566,COC(=O)C1(c2ccc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4(C)C)cc2)CCCC1,YGYGRSSDFJRRBA-UHFFFAOYSA-N
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-rxn:4:202681:223581,COC(=O)c1cccc2cc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)n(C(=O)OC(C)(C)C)c12,WMECVBGJKNOFMO-UHFFFAOYSA-N
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-rxn:4:202740:224768,COc1ccc(-c2cc(F)c(C(=O)N3CCCC3)c(F)c2)c(C(=O)N2CCC(N3CCc4sccc4C3)CC2)c1,PZJFPOBDPADNHU-UHFFFAOYSA-N
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-rxn:4:202807:224668,CCN1CCN(c2cc(F)cc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)c2)CC1,KPTWBZSUPGQBHO-UHFFFAOYSA-N
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-rxn:4:203592:222742,O=C(c1cc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc([N+](=O)[O-])c1)N1CCOCC1,ACPJLLJDTBZIMD-UHFFFAOYSA-N
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-rxn:4:203728:222632,COC(=O)C1CCN(c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cn2)CC1,ONTUKSHLBDAHKX-UHFFFAOYSA-N
-rxn:4:203835:222585,CS(=O)(=O)N1N=C(c2ccc(-c3ccccc3C(=O)NCCN3CCOCC3)cc2)CC1c1ccco1,ZISZMQXTJTYWPC-UHFFFAOYSA-N
-rxn:4:203862:222614,CN1CCN(CCc2cccc(-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)c2)CC1,KQBMYNCCBLEPIA-UHFFFAOYSA-N
-rxn:4:203871:224285,CCN1CCN(Cc2cc(-c3ccc(OCCN4CCOCC4)cc3F)ccc2F)CC1,NTFJGBMLENFFHB-UHFFFAOYSA-N
-rxn:4:203887:222624,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)cc2)CC1,CAKDMFVBNSJGHV-UHFFFAOYSA-N
-rxn:4:203891:224571,CC(C)N1CCN(c2ccc(-c3cccc(C(=O)N4CC(N5CCCC5)C4)c3)cc2)CC1,RIUHOGPKSNAFTD-UHFFFAOYSA-N
-rxn:4:203897:224325,CCS(=O)(=O)N1CCN(c2cccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)c2)CC1,GBBDYVZDHGTWOJ-UHFFFAOYSA-N
-rxn:4:203903:224658,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCN(C(C)=O)CC4)cc3)cc2F)CC1,CYXYHLQKNAFHAJ-UHFFFAOYSA-N
-rxn:4:203907:224973,CN1CCN(Cc2cccc(-c3ccc(C(F)(F)F)cc3CN3CCN(C)CC3)c2)CC1,WUHXYEVHWJPDRH-UHFFFAOYSA-N
-rxn:4:203937:223588,Cc1cc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,HERDJGYGMWPHHG-UHFFFAOYSA-N
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-rxn:4:204054:222447,COc1ccc2c(c1-c1ccc(C(=O)N3CCCN(C4CCOC4)CC3)o1)N=C(NC(=O)OC(C)(C)C)C2,KVMOIYKKDAJBRQ-UHFFFAOYSA-N
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-rxn:4:204141:223753,Cc1ccc(-c2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)cc1OCCCN1CCN(C)CC1,IVGJYGGONWQNFO-UHFFFAOYSA-N
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-rxn:4:204166:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCCCC2C)c(N2CCOCC2)c1,WYWBHGNPHBPNMQ-UHFFFAOYSA-N
-rxn:4:204172:223141,CC1CCN(Cc2ccc(-c3cncc(C4CCNCC4)c3)cc2N2CCCCC2)CC1,IVTXWQYXMISEEV-UHFFFAOYSA-N
-rxn:4:204176:225764,CCCOc1c(F)c(C)cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)c1F,WDTQWAAOZJCTFW-UHFFFAOYSA-N
-rxn:4:204439:223503,CN(C)CCn1ccc2ccc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc21,XJNQTQCOVPKJCZ-UHFFFAOYSA-N
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-rxn:4:204557:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc3c(c2)OCCN3C(=O)OC(C)(C)C)cc1,PGBMWUNDRHGATQ-UHFFFAOYSA-N
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-rxn:4:204584:223979,CN(CC1COCCO1)c1nc2ccc(-c3cc(C(=O)N4CCCCC4)cc([N+](=O)[O-])c3)cc2s1,DNPPFTHITPZHRL-UHFFFAOYSA-N
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-rxn:4:204649:222439,CC(C)Sc1nc2c(c(=O)n1-c1ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc1)SCC2,JOBQWYQFJRJJAK-UHFFFAOYSA-N
-rxn:4:204652:224702,Cc1c(-c2ccc3[nH]c(C(=O)N4CCC(C(F)(F)F)CC4)cc3c2)cc(F)c(OC2CCCC2)c1F,YVXAKTMZJOJCDU-UHFFFAOYSA-N
-rxn:4:204682:223774,COc1cccc2c1cc(-c1nc(C)cc3c1CN(C(=O)OC(C)(C)C)CC3)n2C(=O)OC(C)(C)C,PJGSHHHNTNRUMD-UHFFFAOYSA-N
-rxn:4:204694:225636,CC1CCN(c2cc(-c3ccc(N4C(=NC(=O)C5CC5)SC5CS(=O)(=O)CC54)cc3)ccn2)CC1,QRTRNZWTAXMMHO-UHFFFAOYSA-N
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-rxn:4:204744:224308,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccccc2C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)cc(F)c1F,FNANTKDMEYWIII-UHFFFAOYSA-N
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-rxn:4:204764:228232,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cnc(Cl)c(C4CC4)c3)cc2)C1,HCBOSOCSUPOZAT-UHFFFAOYSA-N
-rxn:4:204764:228234,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3c(C4CC4)ccnc3F)cc2)C1,AKASHSQBQDCWDS-UHFFFAOYSA-N
-rxn:4:204764:228236,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3ccnc(F)c3C3CC3)cc2)C1,BFWDZGRDVJRWPH-UHFFFAOYSA-N
-rxn:4:204797:222495,O=C(Nc1cccc(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)c2)c1F)OCc1ccccc1,MONOGIAWWOATQP-UHFFFAOYSA-N
-rxn:4:204804:228610,CC(C)(C)c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)s1,NEBKPUSTRMSFHI-UHFFFAOYSA-N
-rxn:4:204804:228616,CSc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)c(C)c1,GVMVBTZXMNVMBW-UHFFFAOYSA-N
-rxn:4:204809:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1cccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)c1,DJKKBFSEDFNSJA-UHFFFAOYSA-N
-rxn:4:204833:224957,Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccccc1O[Si](C)(C)C(C)(C)C,VRIQPPISCSFNEE-UHFFFAOYSA-N
-rxn:4:204861:224819,Cc1cccc(C)c1N1CCN(C(=O)c2cc3cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)ccc3oc2=O)CC1,MJEIFPBSOKYEHZ-UHFFFAOYSA-N
-rxn:4:204875:226558,CCCOc1c(F)ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)C34)cc2)c1F,FZPBURSBIYCFTN-UHFFFAOYSA-N
-rxn:4:204884:223098,CC(=O)NS(=O)(=O)c1ccc(-c2nc3c(s2)C2CCC(C3)N2C(=O)OC(C)(C)C)cc1,APSPVSOVJWTYNI-UHFFFAOYSA-N
-rxn:4:204893:226866,CC(C)(C)OC(=O)N1C2CCCC1c1sc(-c3cc(Cl)cc(OC(F)(F)F)c3)nc1C2,OIQOYCGXKUWHNT-UHFFFAOYSA-N
-rxn:4:204914:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccc2c3c([nH]c2c1)CCCN(C(=O)OC(C)(C)C)C3,XPCQBWYRVMYCEE-UHFFFAOYSA-N
-rxn:4:204931:223926,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4)ccc2OC3c2ccc(Cl)cc2)cc1,KLLCDGJVTIIBOA-UHFFFAOYSA-N
-rxn:4:204943:223902,COc1cccc(C2c3c(oc4ccc(-c5ccc(OCCN6CCC(C)CC6)c(F)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,BOWFQFWRVDVZSJ-UHFFFAOYSA-N
-rxn:4:205015:223493,COC(=O)c1n[nH]c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c1Cl,RIMDTWLLPNXBAV-UHFFFAOYSA-N
-rxn:4:206433:223698,O=C(c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cnc1Cl)N1CCSCC1,UVCTVTHLPLUHDZ-UHFFFAOYSA-N
-rxn:4:206648:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3nc(C(=O)N4CCC(F)(F)CC4)ccc3F)cc2)CC1,WUZHDHYAMDORCD-UHFFFAOYSA-N
-rxn:4:206708:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(S(=O)(=O)N3CCCCC3)c2)CC1,OOPBVSVJIIRGLM-UHFFFAOYSA-N
-rxn:4:207030:223577,CN1CCCC(Cc2cccc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2)CC1,DKYIDOAGYMJIDZ-UHFFFAOYSA-N
-rxn:4:207058:224666,Cc1cc(-c2ccc(F)c(CN3CCN(C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,YVLPADHXGKLTNT-UHFFFAOYSA-N
-rxn:4:207081:222584,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c1)C2,YVVMBIVVPULWPH-UHFFFAOYSA-N
-rxn:4:207091:222778,CC(C)(C)OC(=O)NCc1cncc(-c2ccc(N3C(=O)CC(N4CCCCCC4)C3=O)cc2)c1,GQNUULMTHSHMIZ-UHFFFAOYSA-N
-rxn:4:207460:223533,CCn1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c1C12CCCOC1O2,KSPUILFDPCUFMU-UHFFFAOYSA-N
-rxn:4:207464:222465,CCn1ncc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1C12COC(C)C1O2,QADYFLWRWIVEAK-UHFFFAOYSA-N
-rxn:4:207795:222514,COc1ccc(-c2cncc(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1S(=O)(=O)NC1CCCCC1,GSKAQJHYHFPIOV-UHFFFAOYSA-N
-rxn:4:207796:224325,CN1CCN(S(=O)(=O)c2cc3cc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)ccc3oc2=O)CC1,WJAGWXBHZPMEEU-UHFFFAOYSA-N
-rxn:4:207813:222693,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)c3ccccc23)CC1,IAGDMHXOJMKVSR-UHFFFAOYSA-N
-rxn:4:207829:224743,CC(C)(C)OC(=O)c1cc(F)c(-c2ccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)cc2)c(F)c1,UDBZSEGTVWBHIW-UHFFFAOYSA-N
-rxn:4:207910:223531,Cc1cc(N2C(=O)c3oc4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)c(Cl)c5)cc4c(=O)c3C2c2cccc(F)c2)no1,SGRZVIBSXTUFCO-UHFFFAOYSA-N
-rxn:4:207959:226330,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)N5CCCC5)s4)ccc2OC3C2CCCCC2)cc1,RUSUPVMBDUEMHB-UHFFFAOYSA-N
-rxn:4:209770:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccnc(N3CCC(F)(F)CC3)c2)CC1,MEGCAKXMWPHGON-UHFFFAOYSA-N
-rxn:4:210453:223492,Cc1cc(-c2cnc3c(ccn3S(C)(=O)=O)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,YEMTZAYTRIFJEB-UHFFFAOYSA-N
-rxn:4:210785:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc([N+](=O)[O-])c2c1CCN(C)C2,GALAUEJPHDQSOO-UHFFFAOYSA-N
-rxn:4:211068:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)N2CCCC2=C(C#N)S3(=O)=O)c(F)c1,BDIKIOALOGVTPV-UHFFFAOYSA-N
-rxn:4:211101:226056,Cc1ccc(C2=NN3C(C2)c2cc(-c4c5c(cc6c4CCC6)CCC5)ccc2OC32CCC(C)CC2)cc1,UOAUKMFYFUJKBK-UHFFFAOYSA-N
-rxn:4:211101:226177,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C5CCCCC5)c4)ccc2OC32CCC(C)CC2)cc1,FOUJXTVRJOWVDM-UHFFFAOYSA-N
-rxn:4:211101:227386,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnn(C5CCCCC5)c4)ccc2OC32CCC(C)CC2)cc1,PTHFFEGWTGPBSG-UHFFFAOYSA-N
-rxn:4:212542:225429,CCOCC(=O)N1CCCC(Oc2ncc(-c3cc(C)ccc3OCCC(C)C)cn2)C1,OJIDLIDUQYZMPP-UHFFFAOYSA-N
-rxn:4:212542:225832,CCOCC(=O)N1CCCC(Oc2ncc(-c3c(C)nn(C4CCCCO4)c3C)cn2)C1,OMFZNMYKLUIPAQ-UHFFFAOYSA-N
-rxn:4:212544:222719,O=C(CCc1ccccc1-c1cc(C2CCCNC2)nc(C(F)(F)F)c1)N1CCC(Oc2cnsn2)C1,OVDUFLGMXBQQBL-UHFFFAOYSA-N
-rxn:4:212551:222630,O=C(OCc1ccccc1)N1CCC(Oc2ncc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cn2)C1,LWJSIWISUAGLDC-UHFFFAOYSA-N
-rxn:4:212622:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)c(F)c1,JVDKUWCGBUQEOW-UHFFFAOYSA-N
-rxn:4:212629:223041,O=C(NC1CC1)c1ccc(F)c(-c2cncc(C(=O)N3CCC(COc4cccc(C(F)(F)F)n4)CC3)c2)c1,WEZRSYDGNYBEIR-UHFFFAOYSA-N
-rxn:4:212630:225010,O=C(c1cncc(-c2ccc(F)c(CN3CCCCC3)c2)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,KWQHCTWQUCMZMV-UHFFFAOYSA-N
-rxn:4:212630:225753,COC(=O)c1cnc(C2CC2)c(-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)c1,GQTJFOGQQTXPNB-UHFFFAOYSA-N
-rxn:4:212639:228292,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccnc4c3OCCO4)c2)CC1,VXKGSTGBXPZYBN-UHFFFAOYSA-N
-rxn:4:212640:226031,CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3C(F)F)cc2)c1C,ATWOXGSTEDVJEU-UHFFFAOYSA-N
-rxn:4:212653:228448,COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C(F)F)cc2Cl)n1,UQGAMAWHSOKUPO-UHFFFAOYSA-N
-rxn:4:212680:225984,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3cnc(Cl)c(N4CCOCC4)c3)CC2)nn1,MPWWVAXXGFLVNB-UHFFFAOYSA-N
-rxn:4:212690:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnn(C)c3CN(C(=O)OC(C)(C)C)C3CCCCC3)c(F)c2)CC1,BNZYPAAAAAHOFX-YHBQERECSA-N
-rxn:4:212698:224300,COc1ccc(-c2csc(CN3CCN(C(=O)c4ccc(-c5ccc(C(=O)N6CCSCC6)cc5OC)o4)CC3)n2)cc1,MSFMBLWYBCVZGV-UHFFFAOYSA-N
-rxn:4:212711:225928,Cc1ccc(-c2ccc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)o2)cc1S(=O)(=O)N(C)C,OWZCTBRAZBOYOO-UHFFFAOYSA-N
-rxn:4:212725:223170,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)nn1,ORLPGOPXWFHGBW-UHFFFAOYSA-N
-rxn:4:212738:225237,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(-c4ccc(F)c(F)c4)c3)cc2N2CCOCC2)CC1,HJQRVUAVPVRTEM-UHFFFAOYSA-N
-rxn:4:212839:226679,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(N5CCCC5)cc4F)ccn23)CC1,LGGAFNRHSXTHGG-UHFFFAOYSA-N
-rxn:4:212876:223590,CCOC(=O)c1cnn(-c2ccccc2[N+](=O)[O-])c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,TVZUXUOTGXDTNW-UHFFFAOYSA-N
-rxn:4:212896:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccccc3-c3nnc(SCC(=O)N4CCCC4=O)o3)c(F)cn2)CC1,LNLKGJGMKSINKZ-UHFFFAOYSA-N
-rxn:4:212902:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cn(C)nc2CN(C)C(=O)OC(C)(C)C)cc1,LWMDGKRNIPFBTG-UHFFFAOYSA-N
-rxn:4:212902:224488,CC(C)N(C(=O)c1ccc(-c2cn(C)nc2CN(C)C(=O)OC(C)(C)C)cc1)C(C)C,VFXJVNRHBZGODK-UHFFFAOYSA-N
-rxn:4:212972:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(-c4ccc(SCC(=O)N5CCCC5)nn4)cc3)cc21,QSJWWPAUPDBSNU-UHFFFAOYSA-N
-rxn:4:213028:224800,CC(C)Oc1cc(-c2ccc(Cl)c(C(=O)N3CCC(Oc4ncccc4C#N)CC3)c2)ccc1OC(F)(F)F,QQURXUWFQORBJF-UHFFFAOYSA-N
-rxn:4:213044:223671,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,MHLSFGNALYESPT-UHFFFAOYSA-N
-rxn:4:213048:224462,COc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)C2)cc1C,MZFYSIPNENAMJA-UHFFFAOYSA-N
-rxn:4:213058:223598,O=C(Cc1ccc(F)cc1)N1CCCC(Oc2ncc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cn2)C1,LCGOGDBYRMYIEQ-UHFFFAOYSA-N
-rxn:4:213079:223805,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3OCc3ccc(C(F)(F)F)cc3)nc2)CC1,JWTXTHBQEBOSQJ-UHFFFAOYSA-N
-rxn:4:213095:225285,CC(C)Cc1ncc(-c2cc(C#N)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1C(F)(F)F,IZLSCKNBSMKPMH-UHFFFAOYSA-N
-rxn:4:213100:227091,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(C4CCCC4)c3)c(C(F)(F)F)n2)CC1,JHMSQLNQTBTPDD-UHFFFAOYSA-N
-rxn:4:213134:226249,CCCCOc1cc(Cl)cc(-c2cnc(OC3CCN(C(=O)C(C)(C)CC)CC3)nc2)c1,YAHBISVAVPTOOJ-UHFFFAOYSA-N
-rxn:4:213135:222546,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,VGWGEUCVBLSYMG-UHFFFAOYSA-N
-rxn:4:213135:223635,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn2)CC1,INDNXGXFSUQEGV-UHFFFAOYSA-N
-rxn:4:213136:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)cnc1Cl,ZVKRVYYBIWBWCK-UHFFFAOYSA-N
-rxn:4:213138:223500,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2F)CC1,DWJQOYPWTJIJGK-UHFFFAOYSA-N
-rxn:4:213147:223801,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(-c3ccc(C(F)(F)F)cc3OCc3ccccc3)c2)CC1,NUNMGZXHMPWDFG-UHFFFAOYSA-N
-rxn:4:213151:224170,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)cc(F)c2[N+](=O)[O-])CC1,UXEGWTZDWDNYCN-UHFFFAOYSA-N
-rxn:4:213159:222816,COc1cc(N2CCN(C(=O)Cc3ccccc3-c3ccc(OC)c(S(=O)(=O)NC(C)C)c3)CC2=O)ccn1,HQLVRDROJCWCQK-UHFFFAOYSA-N
-rxn:4:213176:223929,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3cnc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2)CC1,OZUAKLJVLFAYKB-UHFFFAOYSA-N
-rxn:4:213181:223902,Cc1cccc(CC(=O)N2CCC(Oc3ncc(-c4ccc(OCCN5CCC(C)CC5)c(F)c4)cn3)CC2)c1,JBYKTRCFTPHDPM-UHFFFAOYSA-N
-rxn:4:213196:222546,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,VJVODHCYJXWGKE-UHFFFAOYSA-N
-rxn:4:213202:224811,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2)nn1,UOIBJKKKPAITDY-UHFFFAOYSA-N
-rxn:4:213222:225424,CCCCCC(=O)c1ccc(-c2ccc(C(=O)N3CCN(Cc4nc(C(C)(C)C)cs4)CC3)o2)cc1,PNOJRTYKIWHQNF-UHFFFAOYSA-N
-rxn:4:213236:222927,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4cnc(N5CCCCC5O)nc4C)cn3)C2)cc1C,ZPUQUHGZYGYSHE-UHFFFAOYSA-N
-rxn:4:213243:224404,O=C(CN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)cc2)CC1)N1CCOCC1,ZXTWLOBKDNBXLO-UHFFFAOYSA-N
-rxn:4:213272:225977,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccc(-c3cc(Cl)cnc3N3CCOCC3)cn2)C1,XMUCOHUXVISZRT-UHFFFAOYSA-N
-rxn:4:213317:224304,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2ccc(C(C#N)c3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n3)cc2)c1Cl,UCCKAJBEPUFTTO-UHFFFAOYSA-N
-rxn:4:213337:222628,CCCCC(=O)N1CCN(c2nc3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3s2)CC1,OLYUIWOEEXRUQI-UHFFFAOYSA-N
-rxn:4:213337:224569,CCCCC(=O)N1CCN(c2nc3ccc(-c4cc(F)cc(OCC5CCCCC5)c4)cc3s2)CC1,MURCZXOHMYYVLH-UHFFFAOYSA-N
-rxn:4:213384:224689,COc1ccc2cc(C(=O)N3CCC(Oc4ncccc4-c4ccc(C(=O)N5CCCCC5)cc4Cl)CC3)[nH]c2c1,PFEUMMXXAGVUMT-UHFFFAOYSA-N
-rxn:4:213412:225081,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(OC(F)F)c5ccccc45)cc3nn2C)CC1,JSSZBOWAZAQVBP-UHFFFAOYSA-N
-rxn:4:213415:225566,CC1(COc2ccc(-c3ccc(-n4c(SCC(=O)N5CCCCCC5)nc5c(c4=O)SCC5)cc3)cc2)COC1,CYVRMTNSTUZYDH-UHFFFAOYSA-N
-rxn:4:213428:225168,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc(CN5CCOCC5)c(F)c4)ccc3c2)[nH]1,UKWVCWRLRKATRY-PMERELPUSA-N
-rxn:4:213441:225196,O=C(Cn1ccc2cc(-c3cc(Cl)c(F)c(OC4CCCC4)c3)ccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,DHOFEDUXMWHXSH-UHFFFAOYSA-N
-rxn:4:213453:226118,CCC(C)Oc1ccc(-c2ccc(C(=O)CSC3=Nc4ccccc4C4=NC(C(C)C)C(=O)N34)cc2)cc1C,GGMVNWAKVZGUGN-UHFFFAOYSA-N
-rxn:4:213480:224252,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCCC(C)C5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,KISKTQVUUMIGBA-ANLKPUEHSA-N
-rxn:4:213480:225982,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCOCC5)cc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,XTQLIUIIATWBSJ-UCKIBBKRSA-N
-rxn:4:213506:222466,CCOC(C)n1cc([N+](=O)[O-])c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)n1,DSEYRXGGCUSXBY-UHFFFAOYSA-N
-rxn:4:213582:224403,FC(F)(F)CN1CCC(Cn2cc(-c3cnc(N4CCOCC4)c(C(F)(F)F)c3)cn2)C1,DCYPRHMVQCQQRS-UHFFFAOYSA-N
-rxn:4:213590:224496,CCN1CCN(Cc2cccc(-c3cnc(C(=O)N4CCC[C@H]4C(=O)OC)nc3)c2)CC1,BLPAIDQXFOZSHH-NRFANRHFSA-N
-rxn:4:213604:224325,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)C1,VATCIBFXALXTJR-UHFFFAOYSA-N
-rxn:4:213636:223598,Cc1cc(C)n(C(C[N+](=O)[O-])c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc2)n1,IUUAUQQIHMZZIW-UHFFFAOYSA-N
-rxn:4:213653:223115,CC(=O)NCCc1ccc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)cc1,HOIQORQZQTZBPA-UHFFFAOYSA-N
-rxn:4:213717:224606,CCCOc1cc(-c2cnc(CCC3CCCCN3C(C)=O)cn2)cc(Cl)c1OC(C)C,LZAIJYXFMIHTES-UHFFFAOYSA-N
-rxn:4:213767:225127,Cc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)c(F)c(OCC(C)C)c1F,CSYKJXBLCVTHIY-UHFFFAOYSA-N
-rxn:4:213768:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3cnc(OCC4CCCN(C5COC5)C4)nc3)c2)C1,HJDGITPVLUMRGA-UHFFFAOYSA-N
-rxn:4:213799:222887,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3cccc(C(=O)N4CCNCC4)c3)ncn2)C1,OPKWPJSPWFZQSA-UHFFFAOYSA-N
-rxn:4:213872:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnn(CC2CN(CC3CCCCC3)C2)c1,IARVTMIQWQUGOM-UHFFFAOYSA-N
-rxn:4:213883:226844,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccnc(C(=O)C(F)(F)F)c1,DFSQHTMJNFOFDN-UHFFFAOYSA-N
-rxn:4:213929:223945,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccc(-c4ccc(OCCCN5CCOCC5)c(F)c4)o3)C2)n1,XOLJXXKCTFJZIG-UHFFFAOYSA-N
-rxn:4:213930:223812,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)cc1F,OQRYDZWKZSJQJR-UHFFFAOYSA-N
-rxn:4:213971:226231,CCCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1C,FQZWNZQVWPYCOI-UHFFFAOYSA-N
-rxn:4:213972:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,VZBAAUYCJATNRE-UHFFFAOYSA-N
-rxn:4:213972:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,WNZSBKVJLDGFCH-UHFFFAOYSA-N
-rxn:4:213996:226021,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccncc1-c1cc(Cl)ccc1OCC(F)(F)F,GDQUQUQHMGDOMN-UHFFFAOYSA-N
-rxn:4:214003:226586,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3ccnc(OC4CCOC4)c3)CC2)CC1=O,DKFHDRPNZNOHDN-UHFFFAOYSA-N
-rxn:4:214029:224672,CCN1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(C(F)(F)F)c3)c(Cl)c2)CC1,AXUPPNLUNDSOMY-UHFFFAOYSA-N
-rxn:4:214033:226415,CC(C)[C@H]1COC(c2cc(-c3ccccc3N3CCOCC3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,KDLNEILVUFZZNF-DNQXCXABSA-N
-rxn:4:214033:227166,CC(C)[C@H]1COC(c2cc(-c3ccc4c(c3)OCCN4C)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,UALNEBTVEVNQHS-FGZHOGPDSA-N
-rxn:4:214046:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc2)c1,KVONGZCEGKYSHV-MCOCGALXSA-N
-rxn:4:214082:225113,CC(C)N1CCN(Cc2ccc(-c3cccc(C(=O)OOC(C)(C)C)c3)cc2N2CCOCC2)CC1,KYPRSUFVGTYPCB-UHFFFAOYSA-N
-rxn:4:214162:224659,CN1CCN(C(=O)c2cccc(-c3ccc4[nH]c(C(=O)N5CCN(CC(F)(F)F)CC5)cc4c3)c2)CC1,DLZVQVRPTTWHCB-UHFFFAOYSA-N
-rxn:4:214196:224153,CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cncc(-c2cc(N3CCCC3)cc(N3CCCC3)c2)c1,NTVUMMBPJTVMDY-UHFFFAOYSA-N
-rxn:4:214229:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnn(C4CC5CCC(C4)N5C(=O)OC(C)(C)C)c3)cc(C(F)(F)F)c2)CC1,QKTNYHBNTCSKKU-UHFFFAOYSA-N
-rxn:4:214255:224411,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(S(=O)(=O)N(C)C)cc2C(F)(F)F)c2c(Cl)ncnc21,WBLJDVUHOGIYGQ-UHFFFAOYSA-N
-rxn:4:214274:222805,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4cc(F)c(F)c(N5CCC(O)CC5)c4)cccc32)CC1,KAMLBXODQBRARN-UHFFFAOYSA-N
-rxn:4:214274:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)cc1,SCILGJVDOOZBBV-UHFFFAOYSA-N
-rxn:4:214282:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cccc(C(=O)N4CCC(Cn5cnc6ccccc65)CC4)c3)cc2)CC1,WLVYKUAPZMVDGX-UHFFFAOYSA-N
-rxn:4:214287:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cccnc2OC2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1,NEIPUAQHLPBXJV-UHFFFAOYSA-N
-rxn:4:214322:224884,CC1CCN(Cc2cccc(-c3ccc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCC6)CC4)cc3)c2)CC1,IPECRFCQKMCALO-UHFFFAOYSA-N
-rxn:4:214336:225197,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccc(-c3cc(F)c(OC4CCCC4)c(Cl)c3)cc2)CC1,OHGRZFXJWMZJMS-UHFFFAOYSA-N
-rxn:4:214338:223069,CCCS(=O)(=O)Nc1cccc(-c2cccc3c2n(C)c(=O)n3C2CCC(=O)N(Cc3ccc(OC)cc3)C2=O)c1,ZYVJYWAKKUZACH-UHFFFAOYSA-N
-rxn:4:214342:222636,Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccc([C@@H](C)NC(=O)OC(C)(C)C)cc4)cc3)CC2)c2ccccc2n1,GZMVGAHWYRFWHJ-XMMPIXPASA-N
-rxn:4:214389:224483,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3ccc(OCCN4CCCCC4)cc3)cc12,NRDNBWZYKFAODO-UHFFFAOYSA-N
-rxn:4:214631:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(CC2CCN(S(C)(=O)=O)C2)cn1,YOAAHUXGELVRCO-UHFFFAOYSA-N
-rxn:4:214674:223606,CN(C)C(=O)C1CCN(c2ncccc2-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)C1,CUOWVQQUTBRVCC-UHFFFAOYSA-N
-rxn:4:214680:225172,Cn1cc(-c2cc(CN3CCOCC3)ccc2F)c(CN2CCCC(C(F)(F)F)C2)n1,GTCGLRNANXTGHT-UHFFFAOYSA-N
-rxn:4:214682:222634,CCN1CCN(C(=O)c2ccc(F)c(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)CC1,RSANPQPLEJQJBJ-UHFFFAOYSA-N
-rxn:4:214730:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3)cc2)CC1,YBEZNBONVPJBEC-UHFFFAOYSA-N
-rxn:4:214804:225518,CCCCCOc1ncc(C)cc1-c1cnccc1N1CCOC(C(=O)N2CCCC2)C1,OQEAIRDFNMHWEK-UHFFFAOYSA-N
-rxn:4:214819:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)c2)CC1,XGNOVJRBTSIGQD-UHFFFAOYSA-N
-rxn:4:214837:226232,CN(C)CCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(Cl)c2)c1,MCEANAMPZGRPHR-UHFFFAOYSA-N
-rxn:4:214838:227379,O=C(C1CN(c2ncc(-c3cccnc3N3CCCC3)cc2F)CCO1)N1CCOCC1,RXSCESHFRRQJSR-UHFFFAOYSA-N
-rxn:4:214857:224325,Cn1ccc(C2CCN(S(=O)(=O)c3ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cc3)CC2)n1,AIIFRIGLSSMZEF-UHFFFAOYSA-N
-rxn:4:214862:223563,COc1cc(COc2c(C)cc(-c3cncc(C(=O)N4CCCN(C5CCSC5)CC4)c3)cc2C)cc(OC)c1,SMEQQKYSAVBBBS-UHFFFAOYSA-N
-rxn:4:214868:225093,CCCOc1c(Cl)cc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1OCC,PIDGFRLCMMZUPN-UHFFFAOYSA-N
-rxn:4:214873:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)c1,PJZHJMDYSOKCJF-UHFFFAOYSA-N
-rxn:4:214873:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,HSIKIZFLILYTJM-UHFFFAOYSA-N
-rxn:4:214874:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(F)c3)ccn2)CC1,OAZGNTONDDGXBN-UHFFFAOYSA-N
-rxn:4:214882:223036,CC(C)(C)C(=O)Nc1ccc(-c2ccc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)cn1,OSOGRZAEQHGJFQ-UHFFFAOYSA-N
-rxn:4:214889:222790,CN1CCN(Cc2ccc(-c3cc(Cl)cc(NC(=O)OC(C)(C)C)c3)cc2N2CCCC2)CC1,KYJFEQYOKDSORE-UHFFFAOYSA-N
-rxn:4:214889:223032,CCCNC(=O)c1ccc(-c2ccc(CN3CCN(C)CC3)c(N3CCCC3)c2)c(F)c1,MXWYHWQTTDLMKX-UHFFFAOYSA-N
-rxn:4:215099:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)[C@H](C)C3)cc1,FFKPEVUEOXAAKJ-MRXNPFEDSA-N
-rxn:4:215131:222518,Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1-c1ccc(F)c2sc(NC(=O)OC(C)(C)C)nc12,WTOHNWNMPYCEMW-UHFFFAOYSA-N
-rxn:4:215155:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)o3)c2)CC1,LVMWYJZBCXPQJJ-UHFFFAOYSA-N
-rxn:4:215170:224708,O=C(c1cncc(-c2ccc3cc(OC(F)(F)F)ccc3c2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,VGXQPARBEBFZJH-UHFFFAOYSA-N
-rxn:4:215219:226236,CCCCOc1ncc(C)cc1-c1ccc2ccc(N3CCOC(C(=O)N4CCOCC4)C3)nc2c1,SQLLKBHSZSTJBS-UHFFFAOYSA-N
-rxn:4:215220:223596,CC(C)n1c(C2CC(=O)N(c3ccc(-c4ccc(Cl)cc4N4CCN(C(=O)OC(C)(C)C)CC4)cc3)C2)nc2ccccc21,XLVCRLFJOBXHKE-UHFFFAOYSA-N
-rxn:4:215232:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2c1,DXXQSGXTBNOLDR-UHFFFAOYSA-N
-rxn:4:215262:222681,CC(C)(C)OC(=O)NCc1cccc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C(c2cccc([N+](=O)[O-])c2)O3)c1F,HNOYIXUNLZQLDW-UHFFFAOYSA-N
-rxn:4:215301:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc2c(c1)C1CC(c3ccccc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,MAYAFICQBJKUAP-UHFFFAOYSA-N
-rxn:4:215309:224254,CC1CCCN(C(=O)c2cc(-c3cccc4c3C(=O)N3CCC[C@H]3c3c(C(=O)OC(C)(C)C)ncn3-4)ccc2F)C1,XTCQYQLJSWYCKV-BIAFCPFJSA-N
-rxn:4:215800:223811,FC(F)(F)C1CCN(c2cncc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)n2)CC1,XCNJKVNAGNANLG-UHFFFAOYSA-N
-rxn:4:215818:223784,CCN1CCN(CCOc2ccc(-c3cnn(C4CCN(C(C)=O)CC4)c3)cc2F)CC1,FIYKNXCWSXPOPU-UHFFFAOYSA-N
-rxn:4:215906:222523,CN1CCN(S(=O)(=O)c2cncc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)c2)CC1,IPPUZRVJWTZZGP-UHFFFAOYSA-N
-rxn:4:215907:224325,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,PGIFCNWTOIRXEC-UHFFFAOYSA-N
-rxn:4:215922:224834,CC1CCCCN1C(=O)c1cnn(C)c1-c1cn(S(=O)(=O)N(C)C)nc1C(F)(F)F,ATWYHPYDZSDIEL-UHFFFAOYSA-N
-rxn:4:215988:224663,CC1CCCN(c2cc(C(C)(C)C)nc(-c3ccc(CN4CCN(C)CC4)c(F)c3)n2)C1,CXAOFSLMEOPMJF-UHFFFAOYSA-N
-rxn:4:216294:222843,Cc1ccc(-c2ccc3c(c2)OCCn2cc(N4C(=O)OC[C@H]4C(F)F)nc2-3)c(C(=O)NC(C)(C)C)c1,KHNXLVIOJKUZFP-FQEVSTJZSA-N
-rxn:4:217151:223481,CN1CCC(n2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cn2)CC1,RXYYZIATAWMOLC-UHFFFAOYSA-N
-rxn:4:217169:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(N4CCN(C)CC4)ccn3)c(F)cc2C)CC1,QAXDGNAVGFALAB-UHFFFAOYSA-N
-rxn:4:218388:223482,Cc1cc(Cl)c2[nH]nc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2n1,JOCYJMWYBGMIDW-UHFFFAOYSA-N
-rxn:4:218588:222959,Cc1cc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2)ccc1C1CCNCC1,HRZHMPQZWPNOPB-UHFFFAOYSA-N
-rxn:4:218600:225755,COC(=O)c1cc(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2CC2)n1,GVPYMWOQITWKDT-UHFFFAOYSA-N
-rxn:4:218606:222950,CONS(=O)(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)c4cccnc4OC)C3)nc2)ccc1OC,BJYQVMXEDOZBCF-UHFFFAOYSA-N
-rxn:4:218667:224371,COC(=O)C1CCN(c2ncc(-c3cccnc3OC3CCN(C(=O)c4ccc(Cn5ccnc5)cc4)CC3)cn2)CC1,XWTNBRRHYZFCIE-UHFFFAOYSA-N
-rxn:4:218675:222743,CC(c1ccc(-c2cncc(C(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)c2)cc1)N1CCC(O)CC1,UJDUBIHKCICZFR-UHFFFAOYSA-N
-rxn:4:218681:224101,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cccc(OCCN5CCC(C)CC5)c4)cn3)CC2)CC1,BGVCFWHAFCNPRJ-UHFFFAOYSA-N
-rxn:4:218681:226621,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cnn(-c5ccnc(C)c5)c4)cn3)CC2)CC1,XSQLTMGFRFQEOA-UHFFFAOYSA-N
-rxn:4:218684:223662,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4ccc(C(=O)OCc5ccccc5)cc4[N+](=O)[O-])c3)ccc2C#N)CC1,IUMIAFRCTPWJCR-UHFFFAOYSA-N
-rxn:4:218731:223608,COc1cccc(-n2ccn3c(SCC(=O)c4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCOCC6)c5)cc4)nnc3c2=O)c1,JSSBHCCXAUORAD-UHFFFAOYSA-N
-rxn:4:218746:224680,CCOC(=O)C1CCCN(Cc2cn3c(-c4ccc(-c5cc(C(=O)N6CCCCC6)ccc5F)cc4)nnc3s2)C1,HKGNWLPQHICFHM-UHFFFAOYSA-N
-rxn:4:218746:225313,CCOC(=O)C1CCCN(Cc2cn3c(-c4ccc(-c5ccc(N6CCN(C)CC6)nc5F)cc4)nnc3s2)C1,SEUMKAZUGBBFGV-UHFFFAOYSA-N
-rxn:4:218805:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnn(CC4CN(C(=O)Cc5cccnc5)C4)c3)c2)CC1,VCVPQAMOXKFQMH-UHFFFAOYSA-N
-rxn:4:218854:222729,CCCc1cc(-c2ccc(Cl)c(C(=O)N3CCC(n4cc(COC)nn4)C3)c2)cc(C2CCCNC2)n1,ONVNFAUZCORHDS-UHFFFAOYSA-N
-rxn:4:218867:225597,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OC4CCCCC4)nc3)c2)no1,QQAODJCODHPDLU-UHFFFAOYSA-N
-rxn:4:218867:225867,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(Cl)c(N4CCCCC4)c3)c2)no1,SIXGWAYJBMYKBF-UHFFFAOYSA-N
-rxn:4:218867:226069,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccc(C4CCCCC4)c3)c2)no1,CLHNUXFKNHIYDZ-UHFFFAOYSA-N
-rxn:4:218868:225597,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OC4CCCCC4)nc3)cc2)no1,JRWORHOXOKPRKQ-UHFFFAOYSA-N
-rxn:4:218868:225859,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCCC4)c(Cl)c3)cc2)no1,FOQIPVIIVOISRI-UHFFFAOYSA-N
-rxn:4:218868:226069,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccc(C4CCCCC4)c3)cc2)no1,COTHIWOVDHNDAJ-UHFFFAOYSA-N
-rxn:4:218868:226183,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnccc3C3CCCCC3)cc2)no1,GMPKHJHYAQFIEG-UHFFFAOYSA-N
-rxn:4:218868:227119,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(C4CCCCC4)cs3)cc2)no1,QGZMLEWOLPLZAX-UHFFFAOYSA-N
-rxn:4:218868:227404,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(N4CCCCC4)cs3)cc2)no1,PSWPLUARGLXKTL-UHFFFAOYSA-N
-rxn:4:218884:223958,CCN1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCCC(COc5ncccn5)C4)c3)cc2F)CC1,BTHDDEUVINHPHS-UHFFFAOYSA-N
-rxn:4:218888:223812,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,NAMRPKQDGMXYGZ-UHFFFAOYSA-N
-rxn:4:218898:222584,O=C(c1ccncc1F)N1CCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,HVIDPCQOWZTCLE-UHFFFAOYSA-N
-rxn:4:218903:223294,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3csc(N4CCNCC4)n3)cc2C#N)CC1,PQRTUVPGMVBJRV-UHFFFAOYSA-N
-rxn:4:218909:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCCN(Cc5ccccn5)C4)nc3)cn2)CC1,XPNBFARIDDINPN-UHFFFAOYSA-N
-rxn:4:218919:222721,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)C2)cn1,RMCHVDJYQWRGCW-UHFFFAOYSA-N
-rxn:4:218921:223959,CCN1CCN(C(=O)c2cc(-c3ccccc3CCC(=O)N3CCN(c4ncc(F)cn4)C(=O)C3)ccc2Cl)CC1,GVUAJKKGERTNMZ-UHFFFAOYSA-N
-rxn:4:218943:222746,CN(c1cnc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)cn1)C1CCN(C(=O)OC(C)(C)C)C1,QNNXGTUZRVOHLY-UHFFFAOYSA-N
-rxn:4:218945:222749,CC(C)(C)OC(=O)N1CCN(c2c(-c3cccc(C(=O)NCc4ccco4)c3)cncc2[N+](=O)[O-])CC1,NOJJDDAGSITXNV-UHFFFAOYSA-N
-rxn:4:218992:225890,C[Si](C)(C)CCOCn1cc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)cn1,VDQVFRLVIXZVRC-UHFFFAOYSA-N
-rxn:4:218994:223602,Cc1nc(C)c(CN2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)s1,OBBHJKOJUVXXEQ-UHFFFAOYSA-N
-rxn:4:218995:224589,Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(-c4ccc(F)cc4CN4CCC(C)CC4)o3)CC2)n1,MEVUMTIVPOGGLH-UHFFFAOYSA-N
-rxn:4:218998:225093,CCCOc1c(Cl)cc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1OCC,VJXUTYPOQRCZRA-UHFFFAOYSA-N
-rxn:4:219001:226088,CCN(CC)Cc1ccc(-c2cccnc2OC2CCN(C(=O)N3CCN(CC)C(=O)C3=O)C2)cc1,WTHYQJAUKXISES-UHFFFAOYSA-N
-rxn:4:219027:222691,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(-c2cc(C(=O)Nc3ccccn3)ccc2F)cnn1C,FKHIREAQKZVYSS-UHFFFAOYSA-N
-rxn:4:219046:228956,O=C1C(N2CCCC(COc3ncc(-c4cc(F)c(Cl)cc4F)cn3)C2)CCN1C1CC1,DUBKRQOBDIYVQQ-UHFFFAOYSA-N
-rxn:4:219067:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cccc(N5CC(C(=O)N6CCC(Cn7ccnc7)CC6)CC5=O)c4)c3)cccc12,MNOOPQKTVGUPGF-UHFFFAOYSA-N
-rxn:4:219084:223809,C[Si](C)(C)CCOCn1nnc2ncc(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cc21,PTGVVYGJVYEDNS-UHFFFAOYSA-N
-rxn:4:219093:222858,CCC(=O)C1=C(c2ccc(-c3cccc(C(=O)NCCN(C)C)c3)cc2)N(C(=O)CC)n2cnnc2S1,CEXODTDLLQXIJA-UHFFFAOYSA-N
-rxn:4:219101:223750,CCCCn1c(=O)c2c(nc(-c3ccc4cccnc4c3O[Si](C)(C)C(C)(C)C)n2C(C)C(C)=O)n(C)c1=O,ZQPKZNHNOQKYSV-UHFFFAOYSA-N
-rxn:4:219125:224882,O=C(CCc1ccccc1-c1ccc(CN2CCCCCC2)cc1)N1C2CCC1CC(n1nccn1)C2,YQNMKRZBNTZYOH-UHFFFAOYSA-N
-rxn:4:219128:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCN(Cc5nc6c(s5)CCC6)CC4)nc3)c(F)c2)CC1,VFIDHRLLNVYVMM-UHFFFAOYSA-N
-rxn:4:219130:223608,COc1ccc2[nH]c(CN3CCN(C(=O)c4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCOCC6)c5)o4)CC3)nc2c1,JQSURTAKSNZMJD-UHFFFAOYSA-N
-rxn:4:219154:222583,O=C(NCCN1CCOCC1)c1ccc(-c2ccc3c(ccn3CCC(=O)N3CCN(c4ccccn4)CC3)c2)cc1,FKZQKEARUAMJRS-UHFFFAOYSA-N
-rxn:4:219155:222694,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)c2)C3)nc1,JUBUXGGKSDSFTF-UHFFFAOYSA-N
-rxn:4:219244:224488,CC(C)N(C(=O)c1ccc(-c2ncnn2C2CN(C(=O)OC(C)(C)C)C2)cc1)C(C)C,ZAHPWKPIFSMBPN-UHFFFAOYSA-N
-rxn:4:219253:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3C(=O)N3CC(Cn4ccnn4)C3)ccc2OC)CC1,NIFIGUIUMUZQRZ-UHFFFAOYSA-N
-rxn:4:219272:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnn(CC3CN(c4ccnc(C(F)(F)F)c4)C3)c2)c1,UHSCQAZVZOBAMQ-UHFFFAOYSA-N
-rxn:4:219369:222446,COc1ccc(CNC(=O)c2ccc(F)c(-c3nnc([C@H]4CCCN4C(=O)OC(C)(C)C)n3C)c2)cc1,CAWCNQRGSZLQHD-JOCHJYFZSA-N
-rxn:4:219374:224582,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(N4CCN(C5CC5)CC4)c3)nn2)CC1,LBCBTULMYVSXIV-UHFFFAOYSA-N
-rxn:4:219388:222694,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,RCUSKCGPSZCXOH-UHFFFAOYSA-N
-rxn:4:219390:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(C(=O)c4ccccc4)CC3)c(C#N)c2)CC1,OIALFZOUZFDVJR-UHFFFAOYSA-N
-rxn:4:219451:224366,Cn1cc(-c2ccc(OC(F)(F)F)c(OCC3CC3)c2)c(C(=O)N2CCCN(CC3CC3)CC2)n1,RRCUWHLIFXCABQ-UHFFFAOYSA-N
-rxn:4:219462:222567,O=C(NCc1ccccc1Cl)c1ccc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)cc1,NEMSNMRASLAQNR-UHFFFAOYSA-N
-rxn:4:219465:223602,Cc1cc(OCC2CCCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)ccn1,MHVLUIQXSIWSCJ-UHFFFAOYSA-N
-rxn:4:219506:225641,CC1CCCN(c2cc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)ccn2)C1,KGWFXPJZVMFEFU-UHFFFAOYSA-N
-rxn:4:219508:224758,Cc1nc(N2CCN(C(=O)c3ccccc3-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)CC2)cc(C(F)(F)F)n1,BGZTXENDGZVFCH-UHFFFAOYSA-N
-rxn:4:219515:226844,CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1nnc(-c3ccnc(C(=O)C(F)(F)F)c3)s1)C2,HTZXMZVQGUHRGZ-UHFFFAOYSA-N
-rxn:4:219529:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2OC)cc1OCC,KBNDQZAJNISPHJ-UHFFFAOYSA-N
-rxn:4:219552:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1OC,ZIIRTMNIQFILNS-UHFFFAOYSA-N
-rxn:4:219562:225201,O=C(c1cncc(-c2ccc(OC3CCCC3)c(F)c2F)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,FWAFHHPJVFUNKE-UHFFFAOYSA-N
-rxn:4:219692:222583,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c3cnc(Cl)nc32)CC1,LPFXSPZMSAZPEN-UHFFFAOYSA-N
-rxn:4:219759:224992,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccccc4CN4CCC(=O)CC4)cc2)OC3)CC1,ZCWUDDCQZZEYCJ-UHFFFAOYSA-N
-rxn:4:219764:225149,COc1cc(-n2ccnc2C)ccc1-c1c(Cl)cc2c(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(F)nc2c1F,WJXCPXWCLPGNCN-UHFFFAOYSA-N
-rxn:4:219766:226085,CC1(C)CCc2cc(-c3cncc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)c3)ccc2O1,OGTBZVUIYBZGRG-UHFFFAOYSA-N
-rxn:4:219778:224718,CCn1cc(-c2nc(-c3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,GVKNJDHHVOTUBP-UHFFFAOYSA-N
-rxn:4:219880:223103,CSc1ncc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)c(N2CCN(S(C)(=O)=O)CC2)n1,BMHSOJGRWUUUAI-UHFFFAOYSA-N
-rxn:4:219937:223831,COc1ccc(-c2cccc(C3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)cc1S(=O)(=O)N1CCC(C)CC1,NCLJRXBSZIUENL-UHFFFAOYSA-N
-rxn:4:219954:223776,Cn1nccc1C1CCCCN1C(=O)c1cncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1,VLMXUQPFTYEXJR-UHFFFAOYSA-N
-rxn:4:219990:223686,CN(c1ccccn1)C1CCN(c2ncc(-c3ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c3)cc2Cl)CC1,AZZFJRFMXTYUAH-UHFFFAOYSA-N
-rxn:4:220021:223831,CCCC(=O)N1CCn2nc(-c3ccc(OC)c(S(=O)(=O)N4CCC(C)CC4)c3)nc2C1,RRSJHXKXRWZALP-UHFFFAOYSA-N
-rxn:4:220069:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1,RZQVMYMNHUKCSQ-UHFFFAOYSA-N
-rxn:4:220114:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)N4CCC(c5nnc6ccccn56)CC4)o3)c2)CC1,ZALMBOQXKNHZPZ-UHFFFAOYSA-N
-rxn:4:220205:224426,O=C(C1CN(c2ncc3cc(-c4cc(C5CCCCC5)cc(C5CC5)c4)ccc3n2)CCO1)N1CCOCC1,BIUKLORKXPOUOE-UHFFFAOYSA-N
-rxn:4:220205:226255,CCCCOc1ccc(Cl)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCOCC4)C3)ncc2c1,STSXAHMQGAOULR-UHFFFAOYSA-N
-rxn:4:220221:224325,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cc2)OC3)CC1,NGXDPBHATFCYOJ-UHFFFAOYSA-N
-rxn:4:220225:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)cc1,PZZWCEHEJZFPOR-UHFFFAOYSA-N
-rxn:4:220266:222706,Cn1c(=O)c2nc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)n(CC(=O)C34CC5CC(CC(C5)C3)C4)c2n(C)c1=O,IRELYPHQZFGRDJ-UHFFFAOYSA-N
-rxn:4:220429:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1,OIAXLJRSNKGXJC-UHFFFAOYSA-N
-rxn:4:220491:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3nc4n(n3)CCN(C(=O)C(C)(C)C)C4)ccc21,YUBHXWGNDCEWJN-UHFFFAOYSA-N
-rxn:4:220935:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc2Cl)CC1,IVMOEWCWDVMWPU-UHFFFAOYSA-N
-rxn:4:221088:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(Cc5nnc(C(F)(F)F)o5)C4)nc3)ccc2F)CC1,WQFWLKSKLQNCGA-UHFFFAOYSA-N
-rxn:4:221094:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3cnn(CC4CN(C(=O)Cn5cnc(C6CC6)cc5=O)C4)c3)c2)C1,DNLXFNMAMIZAIX-UHFFFAOYSA-N
-rxn:4:221098:226527,CCOC(=O)c1ccc(F)cc1-c1cnc(OCC2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)nc1,QQMMCLILAFXZMR-UHFFFAOYSA-N
-rxn:4:221100:224400,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)cn2)CC1,WAZNYCNRKCULJR-UHFFFAOYSA-N
-rxn:4:221100:225219,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cnc(N4CCCCC4C)cc3F)cn2)CC1,YMHOLYFOQSGJDQ-UHFFFAOYSA-N
-rxn:4:221121:223124,CC(C)NC(=O)c1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,HPBDUJVMUXEDHG-UHFFFAOYSA-N
-rxn:4:221171:224759,CCc1ncnc(N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)c1F,VNWFBKYPOJZHRE-UHFFFAOYSA-N
-rxn:4:221180:224407,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCC(F)(F)C5)c4)cn3)CC2)nn1C,ZLADDRHXRMGEEX-UHFFFAOYSA-N
-rxn:4:221181:222546,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)nn1C,FANQGEGYSPBGEU-UHFFFAOYSA-N
-rxn:4:221181:224589,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(F)cc4CN4CCC(C)CC4)cn3)C2)nn1C,JMLWVNFTWIBTIY-UHFFFAOYSA-N
-rxn:4:221193:223951,CN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCN(C)CC5)C4)nc3)cc2F)CC1,ISJNFTIUVKFNQU-UHFFFAOYSA-N
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-rxn:4:221229:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(OCC4CCCN(C(=O)c5cnc6ccccc6n5)C4)nc3)cn2)CC1,KDLWEZBZCAQZOP-UHFFFAOYSA-N
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-rxn:4:221233:224187,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCN6CCCCC6)cc5F)c4)CC3)ccc2n1,PWKLRZFHIOBAQI-UHFFFAOYSA-N
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-rxn:4:221252:226549,CCOc1c(Cl)cc(-c2ccc(Cn3c(CN4CCCCC4CC)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1OC,AIYNFIFJHUZMKH-UHFFFAOYSA-N
-rxn:4:221267:222948,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(N4CCC(O)CC4)nc3Cl)cc2)n(C)c1=O,SHBLYDOFAKGKBY-UHFFFAOYSA-N
-rxn:4:221272:225877,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(Cl)cc3N3CCOCC3)cc2)n(C)c1=O,OWSDKFNOXSRGKJ-UHFFFAOYSA-N
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-rxn:4:221369:223595,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)ccc1=O,SADGNCPKHPRNRI-UHFFFAOYSA-N
-rxn:4:221375:223602,Cn1cnc(N2CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)C2)cc1=O,FRLNKDXPQKCJOZ-UHFFFAOYSA-N
-rxn:4:221387:224318,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(C(=O)N5CCN(C)CC5)c(F)c4)cn3)CC2)c1C,TVRWVSBUHALWBV-UHFFFAOYSA-N
-rxn:4:221390:223884,COc1nc(N2CCC(N(C)c3ccccn3)CC2)ncc1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2,YBFLVZFEQBVRMW-UHFFFAOYSA-N
-rxn:4:221414:222735,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4cccc(C(=O)NC5CCCCC5)c4)c3)CC2)cn1C,FQLNFNSITDDASS-UHFFFAOYSA-N
-rxn:4:221415:222746,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CNC(=O)OC(C)(C)C)cc4)cc3)CC2)n1,CMRSHQGGUQNWQB-UHFFFAOYSA-N
-rxn:4:221421:223045,CC(C)NC(=O)c1ccc(F)c(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,WDAFAYPUFCDHOX-UHFFFAOYSA-N
-rxn:4:221421:225567,Cc1cc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)ccc1C(=O)OC(C)C,KCYOCFQJKLIWHW-UHFFFAOYSA-N
-rxn:4:221433:226844,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccnc(C(=O)C(F)(F)F)c4)cc3)CC2)n1,FDPOHFCTIZHORG-UHFFFAOYSA-N
-rxn:4:221440:223281,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(O)COC5)nc4)cc3)CC2)n1,XGSGWTNQPHWYNZ-UHFFFAOYSA-N
-rxn:4:221442:222975,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccc(C(=O)NC4CC4)cc3C)CC2)n1,YDFHNIXZACQEFV-UHFFFAOYSA-N
-rxn:4:221444:223135,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3cccnc3C3CCCNC3)CC2)n1,DUGJMDPAFDAGKO-UHFFFAOYSA-N
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-rxn:4:221450:223812,Cc1cc(-n2nnc(C(=O)N3CCN(c4ccccc4C)CC3)c2C)ccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1,IBBKYPHPZPUIDA-UHFFFAOYSA-N
-rxn:4:221453:222827,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(F)c(S(=O)(=O)NC5CC5)cc4F)cc3)CC2)n1,PYYVXITTZAPDMC-UHFFFAOYSA-N
-rxn:4:221608:223497,CC(c1ccc(-c2cncc(C(=O)N3CCC(n4ccnn4)CC3)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,KKYIVNVMSFKMEN-UHFFFAOYSA-N
-rxn:4:221618:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(c5ccnc(C(F)(F)F)c5)C(=O)C4)nc3)cc2)CC1,YMUMYSMIGMZIIO-UHFFFAOYSA-N
-rxn:4:221642:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(N5CC(=O)N(C6CC6)C5=O)CC4)nc3)c3ccccc23)CC1,NKGORXDJHCPSQB-UHFFFAOYSA-N
-rxn:4:221730:223602,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,GGCCNRUGZRFUMQ-UHFFFAOYSA-N
-rxn:4:221731:222632,O=C(NCCN1CCCC1)c1cccc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)c1,DSCKVKKSVLPSDY-UHFFFAOYSA-N
-rxn:4:221752:222803,CCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc2)n(C)c1=O,WQLWETXBCPVAJZ-UHFFFAOYSA-N
-rxn:4:221832:222723,O=S1(=O)N=C(N2CCN(c3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)c2ccccc21,NAWCTABLNIWWEM-UHFFFAOYSA-N
-rxn:4:221836:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,MQICTEWTAGRDIY-UHFFFAOYSA-N
-rxn:4:221917:222793,CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5cccc(NC(=O)OC(C)(C)C)c5F)c4)CC3)nn2)n1,ZRLRGGQIYLDXHX-UHFFFAOYSA-N
-rxn:4:221937:223671,Cn1cc(C(=O)N2CCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)nn1,ZXNLYBBARUHOPJ-UHFFFAOYSA-N
-rxn:4:221938:222818,COC(=O)c1cc(-c2cnc(OCC3CCCN(C(=O)c4cn(C)nn4)C3)nc2)c(F)cc1NC(C)=O,MXYXXLITOWVBJC-UHFFFAOYSA-N
-rxn:4:221938:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nn5)C4)nc3)cc21,DWUFYGAYRQROSH-UHFFFAOYSA-N
-rxn:4:221939:222723,Cn1ncnc1CN1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,PUXCNOXMJPLMOI-UHFFFAOYSA-N
-rxn:4:221949:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(C(=O)N4CCCC(Cc5nc(-c6cnccn6)no5)C4)c3)cn2)CC1,KIWHWDOZLHRRCO-UHFFFAOYSA-N
-rxn:4:221951:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(CN(C)c4nccnc4OC)CC3)nc2)CC1,MFTWFQOATFOCMT-UHFFFAOYSA-N
-rxn:4:221965:228243,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cccc(C(C)=O)c5F)cc4)CC3)nn2)CC1,KTVHCDBLOOSHRJ-UHFFFAOYSA-N
-rxn:4:221980:223060,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(Cl)nc(C6CCNCC6)c5)c4)sc3n2)CC1,RVFTVAGCSJRMLM-UHFFFAOYSA-N
-rxn:4:221980:225977,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(Cl)cnc5N5CCOCC5)c4)sc3n2)CC1,QPRUWLZRTIEKML-UHFFFAOYSA-N
-rxn:4:221982:226725,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(OCC(F)(F)F)c6)cc5)no4)C3C2=O)cc1,ZDLGGKAEXCXXFA-UHFFFAOYSA-N
-rxn:4:221986:222709,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c3)cc2)CC1,RACMQSBRESYSEW-UHFFFAOYSA-N
-rxn:4:221997:223814,Cn1cc(C(=O)N2CC(Cn3cc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)cn3)C2)nn1,DGBXNPIBKRFTSG-UHFFFAOYSA-N
-rxn:4:222054:224723,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)c(C)c1,IPASSHQTHMXVHT-UHFFFAOYSA-N
-rxn:4:222055:223503,Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5c(F)cc(OC6CCN(C(=O)OC(C)(C)C)CC6)cc5F)c4)CC3)nn2)n1,LYYFIDWGEHCODE-UHFFFAOYSA-N
-rxn:4:222056:223951,CN1CCN(CCOc2ccc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)cc2F)CC1,LGNFQAYACUXGRP-UHFFFAOYSA-N
-rxn:4:222103:224485,Cc1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(-c6ccn([Si](C(C)C)(C(C)C)C(C)C)c6)cc5)C(=O)C43)n2)cc1,NALVKLHNJFAEPS-UHFFFAOYSA-N
-rxn:4:222108:225760,CCN(C)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(F)c1,OHFJJWSDXMIAMP-UHFFFAOYSA-N
-rxn:4:222137:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1,FMJVHVHECQJMTG-UHFFFAOYSA-N
-rxn:4:222167:224325,Cc1nc(C2CC2)nc(N2CCN(c3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)c1C,IFTLBHMXKGJUSB-UHFFFAOYSA-N
-rxn:4:222273:225326,CCOC(=O)c1ccc(-c2cncc(C(=O)N(C)C3CN(c4ccc5nnc(C6CCC6)n5n4)C3)c2)c([N+](=O)[O-])c1,QJKAZXUQRFPSKD-UHFFFAOYSA-N
-rxn:4:222307:225109,CCc1nnc2ccc(N3CC4CN(C(=O)c5cncc(-c6cccc(OC(=O)OC(C)(C)C)c6)c5)CC4C3)nn12,PSWOLOYPJDOYJU-UHFFFAOYSA-N
-rxn:4:222331:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c2)CC1,QIZVWRPPQOZKTK-UHFFFAOYSA-N
-rxn:4:222362:222511,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)NC7CCCCC7)cc([N+](=O)[O-])c6)cc6[nH]ncc56)nn4)cn3c2)CC1,GNLBRPIUCVUPRT-UHFFFAOYSA-N
-rxn:4:222364:223755,CC1CCN(CCCOc2ccc(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)cc2F)CC1,CGLKMTIIOURRCC-UHFFFAOYSA-N
-rxn:4:222432:213969,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,AMXXHDFENQQPFJ-UHFFFAOYSA-N
-rxn:4:222461:185555,CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(-c4c(F)cc(F)c5sc(NC(=O)OC(C)(C)C)nc45)cc3)cc12,RERYKFMUOXJJIU-UHFFFAOYSA-N
-rxn:4:222513:197797,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc2c(c1)CCC(S(N)(=O)=O)C2,KQXPUONIPOXJFS-UHFFFAOYSA-N
-rxn:4:222523:176414,CC(C)(C)NS(=O)(=O)c1ccc(-c2c(OC(F)F)cccc2C(F)(F)F)c(C(F)(F)F)c1,OAYGKGCEOXCMQR-UHFFFAOYSA-N
-rxn:4:222523:176515,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)cc2C(F)(F)F)c(C(F)(F)F)c1,MZYQFOWAMKLBSQ-UHFFFAOYSA-N
-rxn:4:222523:189730,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(=O)N2CCCC2)c(C(F)(F)F)c1,QQPXUKCRDNJNJN-UHFFFAOYSA-N
-rxn:4:222523:207278,CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(F)(F)F)nc3ccc(C(F)(F)F)cn23)c(C(F)(F)F)c1,KAJZELZDWGGHLM-UHFFFAOYSA-N
-rxn:4:222581:185163,CC(C)NS(=O)(=O)c1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)c2ccccc12,FNCUBIKSMSCHNH-UHFFFAOYSA-N
-rxn:4:222611:217905,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)C1CC(c3ccc(C)o3)=NN1C1(CCN(C)CC1)O2,FRKNPYTZUSDQPG-UHFFFAOYSA-N
-rxn:4:222680:187287,COc1c(NC(=O)OC(C)(C)C)cccc1-c1c(C)cccc1C(=O)N(C(C)C)C(C)C,GNXRMSCLLFETBW-UHFFFAOYSA-N
-rxn:4:222820:197876,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3c(cc2Cl)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,QGLMIBLMEINPGM-UHFFFAOYSA-N
-rxn:4:222821:189889,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)cc2C(F)(F)F)ccc1F,IJLXHMSTZREPLB-UHFFFAOYSA-N
-rxn:4:222901:183829,CCCS(=O)(=O)NCc1ccc(-c2ccc(F)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)cc1,UNFUBNKQAZKAKA-UHFFFAOYSA-N
-rxn:4:222910:187442,CCCNS(=O)(=O)c1ccc(-c2ccc(C)c(C3CN(C(=O)OC(C)(C)C)C3)c2)c(C)c1,BZDYSRYVIVVNJK-UHFFFAOYSA-N
-rxn:4:222940:187632,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)c1,MBUKWMOTSJKTOW-UHFFFAOYSA-N
-rxn:4:222950:183899,CONS(=O)(=O)c1cc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C(C)C)ccc1OC,LCRBDOVXXQFZCI-UHFFFAOYSA-N
-rxn:4:222981:218587,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccnc(NC5CCCCC5)c4)cn3)CC2)cc1,UTNTZDKFTPDANL-UHFFFAOYSA-N
-rxn:4:223042:199999,CC(C)NC(=O)c1ccc(-c2ccc3c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc3c2)cc1Cl,QFQCWXZSBZKBJJ-UHFFFAOYSA-N
-rxn:4:223071:204054,CCS(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)cc1,AKQYPJCYJFBTJG-UHFFFAOYSA-N
-rxn:4:223072:185260,CCCNS(=O)(=O)c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1,PRHMVTBQGWPACZ-UHFFFAOYSA-N
-rxn:4:223072:185557,CCCNS(=O)(=O)c1ccc(-c2cc(F)c(OC(C)(C)C)c3ccn(C(=O)OC(C)(C)C)c23)cc1,LDYJQJUHMNHVKE-UHFFFAOYSA-N
-rxn:4:223080:185260,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1,XXRDJCBEZMWXTE-UHFFFAOYSA-N
-rxn:4:223080:214147,CC(C)NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)c3n2CCN(C(=O)OC(C)(C)C)C3)cc1,BYFBGXKCVOWKHS-UHFFFAOYSA-N
-rxn:4:223093:185381,CC(C)S(=O)(=O)Nc1cncc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)c1,PVPKPIFUMIJBRF-UHFFFAOYSA-N
-rxn:4:223481:176167,CCCc1ccc(-c2ccc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4F)cc3)cc2)cc1,ACCQLOOEGLVIEL-UHFFFAOYSA-N
-rxn:4:223570:175933,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4(C(=O)OC(C)(C)C)CC4)cc3)c(F)ncc21,KUEYDBQCKXUINB-UHFFFAOYSA-N
-rxn:4:223570:176085,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)c(F)ncc21,DZVBMZNVEZGKDU-UHFFFAOYSA-N
-rxn:4:223570:185878,COC(=O)c1cc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc(C(F)F)c1C#N,ZDTLMQFHRWCXTO-UHFFFAOYSA-N
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-rxn:4:223830:204648,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CC(N5CCc6sccc6C5)C4)o3)ccc2C)CC1,WIQHTLOTYCGXEF-UHFFFAOYSA-N
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-rxn:5:177190:226185:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3CCOCC3)cc2)c1,HUTOUMOFWDXTPW-UHFFFAOYSA-N
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-rxn:5:177891:227517:225799,O=C(SC1CS(=O)(=O)CC1c1cncc(OC2CCOCC2)c1)c1ccccc1-c1ccc(OC2COC2)nc1,DZIHXJHWEDRZDJ-UHFFFAOYSA-N
-rxn:5:177891:227626:225603,N#CC1(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnc(C4CCOC4)nc3)c2F)CCC1,JTGDEJZGZYXLMH-UHFFFAOYSA-N
-rxn:5:177891:227654:225607,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3OCCO3)nc2)s1)N1CCCCC1,BZFIXAHNBRWNTF-UHFFFAOYSA-N
-rxn:5:177891:227657:227028,N#CC1(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(N4CCOCC4)s3)c2)CC1,GYPJBMMMPJWTRA-UHFFFAOYSA-N
-rxn:5:177891:228210:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1ccc(N2CCCC2)s1,OPCHHFWGJHHCQH-UHFFFAOYSA-N
-rxn:5:177891:228878:226450,CC1(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnn(C4COC4)c3)c2)OCCO1,JCVHISWPBYDARZ-UHFFFAOYSA-N
-rxn:5:177891:228879:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1ccnn1C1COC1,CFNCTTPMMMXGNA-UHFFFAOYSA-N
-rxn:5:178119:227783:222958,Cc1ccc(-c2c(C)cc(C(=O)OC(C)(C)C)cc2-c2cc([N+](=O)[O-])c(F)cc2F)cc1C1CCNCC1,NFZDTSXRUVVSOJ-UHFFFAOYSA-N
-rxn:5:178121:226898:227517,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(OCC2CCOCC2)cccc1-c1ccc(OC2COC2)nc1,HMGLDJFLXRURIG-UHFFFAOYSA-N
-rxn:5:178295:223112:225976,COC(=O)C1(c2cc(-c3ccnc(N4CCOCC4)c3F)ccc2-c2c(C(C)C)ccc3[nH]ncc23)CCC(=O)CC1,PEEFFNLPKNHGIS-UHFFFAOYSA-N
-rxn:5:178295:223421:226710,CNC(C)c1ccc(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)s1,IWXKNPJDAWXAOR-UHFFFAOYSA-N
-rxn:5:178295:225886:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,BCICDPLOIWWHPR-UHFFFAOYSA-N
-rxn:5:178295:226591:228146,CCc1cncc(-c2ccc(-c3ccc(OC(C)C)c(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1OC,BGUWPBJSVJKZFQ-UHFFFAOYSA-N
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-rxn:5:178295:227076:228794,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc([Si](C)(C)C)s3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XYBVHQPGCJDYDH-UHFFFAOYSA-N
-rxn:5:178295:227311:225512,CCC(C)c1cc(F)c(-c2ccc(-c3cccc4cc([Si](C)(C)C)sc34)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,GAAZSQRIANXFHQ-UHFFFAOYSA-N
-rxn:5:178295:227311:227983,CCC(C)c1cc(F)c(-c2ccc(-c3ccccc3[Si](C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,QQBBOFIIUWCBAA-UHFFFAOYSA-N
-rxn:5:178295:227316:223345,COC(=O)C1(c2cc(-c3cccc4c3NC(=O)C4)ccc2-c2cc(F)nc(CC(C)C)c2)CCC(=O)CC1,BTYUDSCTUASPDW-UHFFFAOYSA-N
-rxn:5:178295:227346:228393,CCCc1cc(F)c(-c2ccc(-c3cc(F)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,PEDUBJARPBDECV-UHFFFAOYSA-N
-rxn:5:178295:227560:228141,CCCc1cc(F)c(-c2ccc(-c3ccc(OC)c(C(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,PPCIISCYHCRCSV-UHFFFAOYSA-N
-rxn:5:178295:227560:228189,CCSc1ccc(F)c(-c2ccc(-c3ccc(OC)c(C(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FLGKMPOKDNOSMX-UHFFFAOYSA-N
-rxn:5:178295:228189:227718,CCSc1ccc(F)c(-c2ccc(-c3ccc(OC(F)F)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,RISCACQECSQBRW-UHFFFAOYSA-N
-rxn:5:178295:228268:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2ccc(C)c(F)c2SC)CCC(=O)CC1,GOXBXGZKMNMOKJ-UHFFFAOYSA-N
-rxn:5:178295:228268:227724,COC(=O)C1(c2cc(-c3cc(OC(F)F)ccc3F)ccc2-c2ccc(C)c(F)c2SC)CCC(=O)CC1,BWXWUYXJQXPUIX-UHFFFAOYSA-N
-rxn:5:178295:228437:227346,CCCc1cc(F)c(-c2ccc(-c3ccc(C(F)F)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,MDCPAQYHYBHGMQ-UHFFFAOYSA-N
-rxn:5:178313:226916:225499,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3=CCCC3)c2)c(-c2ccc(C3CCCCC3)cc2F)c1,JGKPLYIZWDNZSY-UHFFFAOYSA-N
-rxn:5:178313:226916:225677,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3=CCCC3)c2)c(-c2ccc(C3CCCCC3)nc2F)c1,NGQNAZKKYQWYHL-UHFFFAOYSA-N
-rxn:5:178314:225407:227037,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCCC3)cc2)ccc1-c1cc(C#N)ccc1C1CC1,KROXOLZEHPIYHT-UHFFFAOYSA-N
-rxn:5:178314:225450:227089,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C3CCCC3)cc2)ccc1-c1ccncc1C1CCCC1,PPFYOWVFIOBQMW-UHFFFAOYSA-N
-rxn:5:178314:225453:223202,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCCC3)c2)ccc1-c1ccc(C2(O)CCC2)cc1,ZWCTXOFAYOXXNO-UHFFFAOYSA-N
-rxn:5:178314:227113:225451,Cc1cc(F)c(C2CC2)cc1-c1ccc(-c2ccc(SC3CCCCC3)cc2)c(O[Si](C)(C)C(C)(C)C)c1,QOGSNBXLJMWKCB-UHFFFAOYSA-N
-rxn:5:178315:225407:223215,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2ccc3c(c2)NC(=O)CC3)c1,OABWNAJXMBTMGE-UHFFFAOYSA-N
-rxn:5:178315:225451:227037,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2cc(C#N)ccc2C2CC2)c1,HIOFDQZGIYMALQ-UHFFFAOYSA-N
-rxn:5:178315:225451:227715,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2cc(F)cc(OC(F)F)c2)c1,DIFIXYJQBJOVBX-UHFFFAOYSA-N
-rxn:5:178315:225498:227063,Cc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cc(C4CCCCC4)ccc3F)c2)c(OC(C)C)c1,LTZXQLJKKAEWEN-UHFFFAOYSA-N
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-rxn:5:178315:225677:227044,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C3CC3)cc2)cc(-c2ccc(C3CCCCC3)nc2F)c1,LARRKAKMATUARX-UHFFFAOYSA-N
-rxn:5:178315:226069:226182,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3CCCCC3)c2)cc(-c2cccnc2C2CCCCC2)c1,FXCUUITWOSJRGN-UHFFFAOYSA-N
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-rxn:5:178467:223133:223281,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3ccccc3N3CCNCC3)c2OC1,DPKDPRTXHSHRBR-UHFFFAOYSA-N
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-rxn:5:190194:227935:225440,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(C3(C#N)CCCC3)cc2)ccc1OC,FQBXPDWBZGSPIB-UHFFFAOYSA-N
-rxn:5:190196:222417:225784,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(CN3CCOCC3)nc2)c1,SNXJIUMTOLHCCW-UHFFFAOYSA-N
-rxn:5:190196:223061:223113,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,LHNBRYINBJYWHF-UHFFFAOYSA-N
-rxn:5:190196:223113:225976,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccnc(N2CCOCC2)c1F)C1CCOCC1,UJYCXZKEPRRHEE-UHFFFAOYSA-N
-rxn:5:190196:225594:225613,CN(Cc1ccc(-c2ccc(F)cc2CN2CCCC2)cc1-c1ccnc(OC2CCCCC2)c1)C1CCOCC1,HMDOVFBJYCNZLT-UHFFFAOYSA-N
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-rxn:5:190199:225886:225602,CN(Cc1cc(-c2cc(C3(C#N)CCC3)ccc2F)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1)C1CCOCC1,QPQNNHXWXRUWBD-UHFFFAOYSA-N
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-rxn:5:190201:222417:225803,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccnc(OC3CCOCC3)c2)CCO1,ZHOBQKSWQOWGTN-UHFFFAOYSA-N
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-rxn:5:190299:226027:228443,COc1ccc(-c2ccc(F)c(S(=O)(=O)N(C)C)c2)cc1C=C1SC(=O)N(c2ccc(-c3ccc(F)c(SC)c3F)cc2)C1=O,HTGNOEFEZRADNH-UHFFFAOYSA-N
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-rxn:5:190459:227766:226901,CCn1nc(C(F)(F)F)cc1-c1ccccc1C(=O)N1CCSC(c2ccccc2-c2cccc(S(F)(F)(F)(F)F)c2)CC1,JYPLGSRTLDQHFF-UHFFFAOYSA-N
-rxn:5:190484:223139:228895,O=C(c1cccc(-c2ccc(C3CCNCC3)nc2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])cc2)S(=O)(=O)CC1,MDGJKBDGOMRYDM-UHFFFAOYSA-N
-rxn:5:190484:227438:223200,O=C(c1cccc(-c2ccnc(C3CCOC3)c2)c1)N1CCC(c2ccccc2-c2ccc(C3CCNC3)cc2)S(=O)(=O)CC1,DNPZXXATWAANFI-UHFFFAOYSA-N
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-rxn:5:190741:225982:223064,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,ZTJCBDVGVRRAFM-UHFFFAOYSA-N
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-rxn:5:190744:225833:225784,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1ccc(CN2CCOCC2)nc1,AWLJSRAHJRZTRT-UHFFFAOYSA-N
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-rxn:5:190744:226662:225834,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,JHDZCMYKMGCVDO-UHFFFAOYSA-N
-rxn:5:190796:225453:226069,CC(C)(C)OC(=O)n1cc(-c2cccc(SC3CCCCC3)c2)c2c(-c3cccc(C4CCCCC4)c3)cccc21,JRYIGWSMNOXFNA-UHFFFAOYSA-N
-rxn:5:190799:225407:226067,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C4CCCCCC4)cc3)c(-c3ccc(C4=CCCCC4)cc3)ccc21,UBYAUGZJTKGULW-UHFFFAOYSA-N
-rxn:5:190799:226150:225394,CC(C)(C)OC(=O)n1ccc2c(-c3cccc(SC4CCCC4)c3)c(-c3cc(C4CCC4)cc(C4CC4)c3)ccc21,VFZZPJRDZYRAMI-UHFFFAOYSA-N
-rxn:5:190833:228613:226588,CCc1ccc(-c2ccc(-c3cc(OC4CCC4)ncc3F)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)cc1F,KMJGRNLHXHTFPS-UHFFFAOYSA-N
-rxn:5:190859:226912:227045,Cc1cc(CC(C)C)cc(-c2ccc3c(c2-c2cccc(SC(C)(C)C)c2)CCN3C(=O)OC(C)(C)C)c1,HFLOTGJYOOWEFW-UHFFFAOYSA-N
-rxn:5:190859:227824:226146,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C3CCC3)cc1)c2-c1ccc(SC2CCCC2)cc1,NVIBGWXBLJNNAG-UHFFFAOYSA-N
-rxn:5:190859:228437:223173,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C(F)F)cc1F)c2-c1ccc2c(c1)C(O)CS2(=O)=O,OTDLIFDWXGSLCO-UHFFFAOYSA-N
-rxn:5:190998:226052:226158,COC(=O)c1cc(-c2ccccc2N2CCCCC2)ccc1N1Cc2cc(-c3c(F)ccc(OC(F)(F)F)c3F)ccc2OCC1=O,CALKSOZHQLXWNT-UHFFFAOYSA-N
-rxn:5:191026:226913:227591,CCc1cc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(F)F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)cc(C2CC2)c1,JBHOQOCTDBFCJB-UHFFFAOYSA-N
-rxn:5:191026:227076:228177,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(F)ccc4COC)c2)C=C(C(=O)OC)S3(=O)=O)c1,ICEQPVGIQWFCJE-UHFFFAOYSA-N
-rxn:5:191026:227076:228445,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(F)cccc4C(F)F)c2)C=C(C(=O)OC)S3(=O)=O)c1,XAESIYJWCWFTCC-UHFFFAOYSA-N
-rxn:5:191026:227076:228721,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccnn4C(C)(C)C)c2)C=C(C(=O)OC)S3(=O)=O)c1,BTSDBUUZJJWFNX-UHFFFAOYSA-N
-rxn:5:191026:227346:228156,CCCc1cc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(OC)ccc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c(F)c1,GBMFNFRFLYRNJJ-UHFFFAOYSA-N
-rxn:5:191026:227525:226910,CCc1cnc(C(F)F)cc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C(C)(C)CC)cc3)c1)C=C(C(=O)OC)S2(=O)=O,BZVXVTGOBZXBPD-UHFFFAOYSA-N
-rxn:5:191026:227989:227525,CC#Cc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(F)F)ncc4CC)c2)C=C(C(=O)OC)S3(=O)=O)c1,DXRYNIPWLFMUGW-UHFFFAOYSA-N
-rxn:5:191049:223065:228703,COc1cc(N2Cc3cc(-c4ccc(N5CCNCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1cnn(C2CCC2)c1,OZVMNJADHKUHLU-UHFFFAOYSA-N
-rxn:5:191049:227071:227018,COCc1cc(C)c(-c2ccc3c(c2)CN(c2cc(OC)c(-c4ccc(C(C)(C)C#N)cc4)cc2OC)C(=O)CO3)c(C)c1,LHPDYSYSMPEEBL-UHFFFAOYSA-N
-rxn:5:192235:223002:226661,COc1cc(-c2ccc(C3CCNCC3)cc2F)c(-c2cc(N3CCN(C)CC3)cs2)cc1S(N)(=O)=O,RKTDDRMZVDCISR-UHFFFAOYSA-N
-rxn:5:192235:225805:226645,COc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccnc(N3CCOCC3)c2)cc1S(N)(=O)=O,JVUQYECDUHMEDZ-UHFFFAOYSA-N
-rxn:5:192236:223001:226330,COc1cc(-c2ccc(C(C)N3CCCC3)s2)c(S(N)(=O)=O)cc1-c1cc(C2CCCNC2)ccc1F,SGNOUPFEKCFSFA-UHFFFAOYSA-N
-rxn:5:192565:226035:225944,COc1ccc(C(F)(F)F)c(F)c1-c1ccc(C2(C#N)CCC2)c(-c2c(F)cc(F)c(OC(C)C)c2F)c1,RZNMFIXZULUAAN-UHFFFAOYSA-N
-rxn:5:193053:226768:225620,CSc1ccc(-c2cc(C(=O)N3CCCC3)cc(-c3ccc(OC4CCOCC4)cc3)c2)cc1C(F)(F)F,IBPGTNKJDGFRGV-UHFFFAOYSA-N
-rxn:5:193157:225600:225802,Fc1nc(OC2CCCC2)ccc1-c1ccc(CN2CCCC2)c(-c2cccnc2OC2CCCCC2)c1,MXRVIUAZMFUZTA-UHFFFAOYSA-N
-rxn:5:193226:223061:225803,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccnc(OC3CCOCC3)c2)c1)N1CCOCC1,VFEOPABVXRSEON-UHFFFAOYSA-N
-rxn:5:193229:225976:225849,O=C(c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1cnc(N2CCCCC2)cc1F)N1CCOCC1,BRNQQPBZJXALTP-UHFFFAOYSA-N
-rxn:5:193231:226661:227495,CCN(C)c1cc(-c2cc(-c3cc(N4CCN(C)CC4)cs3)ccc2C(=O)N2CCSCC2)c(F)cn1,HCFJULRHOPZZPR-UHFFFAOYSA-N
-rxn:5:193329:225879:223192,CNS(=O)(=O)c1cc(-c2c(-c3ccc(N4CCOCC4)cc3F)ccnc2OC2CCCCC2)ccc1F,JENTWSVPXFVUKL-UHFFFAOYSA-N
-rxn:5:193332:222989:226761,CSc1ccc(-c2ccc(CN3CCOCC3)c(-c3ccc(N4CCNCC4)cc3C)c2)c(C(F)(F)F)c1,AXBXCOFTRKIYPB-UHFFFAOYSA-N
-rxn:5:193337:223135:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccnc2C2CCCNC2)cc1CN1CCOCC1,SDVZGYGNMVEPCT-UHFFFAOYSA-N
-rxn:5:193382:223054:223139,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCNCC4)nc3)c2)s1)N1CCC(O)C1,ZTFSZAYUUWAIRT-UHFFFAOYSA-N
-rxn:5:193382:223138:226464,COc1ccc2c(c1-c1cc(-c3ccnc(C4CCNCC4)c3)ccc1S(=O)(=O)N1CCOCC1)OCCO2,UWNYDIONQIDUPH-UHFFFAOYSA-N
-rxn:5:193382:223140:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccnc(C3CCCNC3)c2)ccc1S(=O)(=O)N1CCOCC1,DNQMARIVZCKRKA-UHFFFAOYSA-N
-rxn:5:193382:223141:226464,COc1ccc2c(c1-c1cc(-c3cncc(C4CCNCC4)c3)ccc1S(=O)(=O)N1CCOCC1)OCCO2,UBCHICYXYIKWSE-UHFFFAOYSA-N
-rxn:5:193382:223295:223148,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccccc3C3CNCCO3)c2)c1,ZYKAFPOQOVLDGT-UHFFFAOYSA-N
-rxn:5:193382:223295:226447,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccnc(C4CCOCC4)c3)c2)c1,DCTUIPHBLXVTIH-UHFFFAOYSA-N
-rxn:5:193382:225833:223141,O=S(=O)(c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1-c1cncc(C2CCNCC2)c1)N1CCOCC1,KUPSWXLXSMYKSX-UHFFFAOYSA-N
-rxn:5:193382:226139:226464,COc1ccc2c(c1-c1cc(-c3cc(C4CC4)cnc3C3CC3)ccc1S(=O)(=O)N1CCOCC1)OCCO2,VNPYRUUCHVIDMX-UHFFFAOYSA-N
-rxn:5:193382:226464:223141,COc1ccc2c(c1-c1ccc(S(=O)(=O)N3CCOCC3)c(-c3cncc(C4CCNCC4)c3)c1)OCCO2,LZBXDIBZICPAMQ-UHFFFAOYSA-N
-rxn:5:193382:227803:223241,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cncc(C3CCNC3)c2)c1,FKBXNCLLECRVJC-UHFFFAOYSA-N
-rxn:5:193382:228692:225805,CC(c1ccc(-c2cc(-c3ccc(CN(C)C)s3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,OXTNCRYGUZMWPZ-UHFFFAOYSA-N
-rxn:5:193382:229079:223054,CC(c1ccc(-c2cc(-c3csc(C4CC4)n3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCC(O)C1,NQGQSCDUQNODTE-UHFFFAOYSA-N
-rxn:5:193459:225440:227052,CC(C)(C)Sc1ccc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(C4(C#N)CCCC4)cc3)c2)cc1,LMYFXSYZJCFLDE-UHFFFAOYSA-N
-rxn:5:193461:226026:227065,CC(C)C(=O)c1cccc(-c2cc(-c3ccc(S(=O)(=O)N(C)C)c(F)c3)ccc2C(=O)N2CCCCC2)c1,VSTZOBMYTZSDFC-UHFFFAOYSA-N
-rxn:5:193463:226064:225655,CC1CCN(c2cncc(-c3cc(-c4ccc(C5CCCCC5)cc4)ccc3CN3CCC(=O)CC3)c2)CC1,NGOIKXGYIAKDBF-UHFFFAOYSA-N
-rxn:5:193464:226148:226069,C[Si](C)(C)C#Cc1cccc(-c2ccc(C3(C#N)CCCCC3)c(-c3cccc(C4CCCCC4)c3)c2)c1,QJXQEQSBLJANNG-UHFFFAOYSA-N
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-rxn:5:193506:222958:229009,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(C4CC4)cs3)c2)cc1C1CCNCC1,SKHQGFKNGIUMKO-UHFFFAOYSA-N
-rxn:5:193506:222959:228211,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCCC4)cs3)c2)ccc1C1CCNCC1,UHFHQYSECBYILT-UHFFFAOYSA-N
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-rxn:5:196858:225832:226069,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1cccc(C2CCCCC2)c1,FHKWZHVBMCMAAR-UHFFFAOYSA-N
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-rxn:4:177215:223696,CCS(=O)(=O)Cc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1F,FHKADTWNIHSAFS-UHFFFAOYSA-N
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-rxn:4:179246:223522,COc1c(-c2cc(F)cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)c2)ccc(SC)c1F,KVQRCMFGSHEGNX-UHFFFAOYSA-N
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-rxn:4:179988:223492,Cc1cc(-c2ccc(OC(C)(C)C)c(F)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NEDJBLHFOJAKIK-UHFFFAOYSA-N
-rxn:4:180527:222389,c1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc(C2CC2)cc1C1CCCCC1,SREYYGCAKJFEMC-UHFFFAOYSA-N
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-rxn:4:180792:223712,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc1C2=O,LBZYOXXSYGBBQI-UHFFFAOYSA-N
-rxn:4:180815:225218,COc1ccc(-c2cnc(N3CCCC(C)C3)c(Cl)c2)cc1C12CC3CC(CC(C3)C1)C2,VBYZDKVOBIVZAV-UHFFFAOYSA-N
-rxn:4:180962:223497,CC(c1ccc(-c2cc(C(F)F)ccc2F)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,CPJIPUJYGXDODE-UHFFFAOYSA-N
-rxn:4:182359:222805,COC1CCC2(CC1)Oc1ccc(-c3cc(F)c(F)c(N4CCC(O)CC4)c3)cc1C2=O,SKKCQMJJFCIIMI-UHFFFAOYSA-N
-rxn:4:182372:224587,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(CN4CCC(C)CC4)c(F)c3)cc1C2=O,NMTBBUXEKBGWRV-XBTDCMMSSA-N
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-rxn:4:183272:224684,O=C1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)cc2)CC1,GDKHISFXDYVSJV-UHFFFAOYSA-N
-rxn:4:183273:223114,CCCNC(=O)c1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,YFRQNXQVWXABFH-UHFFFAOYSA-N
-rxn:4:183273:228393,COc1c(F)cc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ATRUMAHWFRJVEU-UHFFFAOYSA-N
-rxn:4:183273:229004,CSc1ccccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,GBLZTOQMTZZPGK-UHFFFAOYSA-N
-rxn:4:183273:229187,Fc1ncc(Cl)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,ZEVOKQOADAJDNW-UHFFFAOYSA-N
-rxn:4:183274:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)c2)C1,DLZYIFZQSKTCNY-UHFFFAOYSA-N
-rxn:4:183274:229111,Cc1cc(Cl)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,VQXRDTLLAMKQSK-UHFFFAOYSA-N
-rxn:4:183484:224421,COC(=O)C(C(=O)OC)c1cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)ccc1C#N,CMMFYBARQOXFDY-UHFFFAOYSA-N
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-rxn:4:183538:225369,CCOC(=O)Cc1cc(C#N)c(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2Cl)cc1C(F)(F)F,RWNHNUIIDDXXAH-UHFFFAOYSA-N
-rxn:4:183548:224394,CCOC(=O)Cc1ccc(OC)c(C#N)c1-c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1,SQLBBPSQHLGIQV-UHFFFAOYSA-N
-rxn:4:183668:222743,CC(c1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)cc1)N1CCC(O)CC1,BOIFAPCLVKFPPN-UHFFFAOYSA-N
-rxn:4:183668:222802,Cc1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)c(S(=O)(=O)NC(C)(C)C)c1,DPHNLZFXNWRLOH-UHFFFAOYSA-N
-rxn:4:183668:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc3)c3ccccc23)CC1,WJWGGSSOCOUKOZ-UHFFFAOYSA-N
-rxn:4:183829:222891,COc1cc(-c2ccc(F)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)cc(C2CCNCC2)n1,VTRGXFPYOJIZET-UHFFFAOYSA-N
-rxn:4:183832:225991,CC(C)Cn1nc(C(F)(F)F)cc1-c1c(F)cccc1CN(C(=O)OC(C)(C)C)C1CC1,FVIGRGZHOAVNFK-UHFFFAOYSA-N
-rxn:4:183905:226826,CCCCN(C(=O)c1ccc(-c2cc(C)cc(C(F)(F)F)c2F)cc1)C1CCS(=O)(=O)C1,DKTMXEOHLTYNOZ-UHFFFAOYSA-N
-rxn:4:183921:225293,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)c(OC(C)C)c3)cc2)c(C)c1,OHHUKLDTLUNIJK-UHFFFAOYSA-N
-rxn:4:183929:225568,COC(=O)C(C)(C)c1ccc(-c2ccc(C)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)cc1,JHZDMANYKRVEOA-UHFFFAOYSA-N
-rxn:4:183931:224488,Cc1cc(CN(C(=O)OC(C)(C)C)C2CC2)cc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c1,IPISCTCPZMHBMO-UHFFFAOYSA-N
-rxn:4:183960:225596,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(Cl)c(CN2CCCC2)c1,RNRZEZWZGGRDJY-UHFFFAOYSA-N
-rxn:4:183967:224677,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(Cl)c(C(=O)N4CCCCC4)c3)ccc2Cl)C1,JXYGDZWHLIQDBR-UHFFFAOYSA-N
-rxn:4:183980:226278,CCOc1cc(C=C2N=C(c3ccc(-c4ccc(OCC(C)C)nc4C)cc3)OC2=O)ccc1OC(C)=O,RXIFGRWYEGQZTA-UHFFFAOYSA-N
-rxn:4:183985:223100,CNS(=O)(=O)c1ccc(OC)c(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C#N)c1,JDPAHMXNRHGEJQ-UHFFFAOYSA-N
-rxn:4:183986:222512,Cc1cc(-c2cc(C(=O)Nc3ccccc3)cc([N+](=O)[O-])c2)cc(CN(C(=O)OC(C)(C)C)C(C)C)c1F,CPUZZXWRKSCNDF-UHFFFAOYSA-N
-rxn:4:183997:222402,CCCNC(=O)Nc1ccc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CCCC2)cc1,YKMQMHBFDRUDER-UHFFFAOYSA-N
-rxn:4:184016:224970,CC(C)(C)OC(=O)N1CCC(OCc2ccccc2-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)CC1,OSNZYUYDCDBPCX-UHFFFAOYSA-N
-rxn:4:184028:225179,CC(C)(C)OC(=O)N1CCC(OCc2ccc(-c3cccc(Cl)c3CN3CCOCC3)cc2F)CC1,GJOYVVPMSLNGJZ-UHFFFAOYSA-N
-rxn:4:184055:227242,CCCOc1cccc(F)c1-c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1,VVUVYIHBRTXORI-UHFFFAOYSA-N
-rxn:4:184066:227211,CCCCSc1ccc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CCCCC2)cn1,LRBKLHCFUWDGOT-UHFFFAOYSA-N
-rxn:4:184074:224825,CCc1ccc(CN(C(=O)c2ccccc2-c2cc(C(=O)N(C)OC)cc([N+](=O)[O-])c2)C2CCS(=O)(=O)C2)cc1,NQQAAQMIRTYUES-UHFFFAOYSA-N
-rxn:4:184092:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)o2)cc1F,AUOUDNJDGCOXEU-UHFFFAOYSA-N
-rxn:4:184093:223804,CC(C)c1ccc(CN(C(=O)c2ccc(-c3ccccc3OCc3cccc(C(F)(F)F)c3)cc2)C2CCS(=O)(=O)C2)cc1,PDZSDOMAXDLOAT-UHFFFAOYSA-N
-rxn:4:184095:222641,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2cccc(C(=O)NCc3ccccn3)c2)cc1,VUDFZWGDWXSIDS-HHHXNRCGSA-N
-rxn:4:184095:228182,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2cccc(CC(F)F)c2)cc1,DCODUCYNSGXWQA-JOCHJYFZSA-N
-rxn:4:184096:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,CIUNXTVQEGABFP-UHFFFAOYSA-N
-rxn:4:184097:222874,CC(C)(C)NC(=O)c1cc(-c2ccc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)cc2)ccc1Cl,CUWUOTWKXTVDFZ-UHFFFAOYSA-N
-rxn:4:184097:226031,CC(C)(C)c1ccc(CN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3C(F)F)cc2)C2CCS(=O)(=O)C2)cc1,VWEJIXYEWLXTOE-UHFFFAOYSA-N
-rxn:4:184098:223866,CC(C)(C)c1ccc(C(=O)N(Cc2cccc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)c2)C2CCS(=O)(=O)C2)cc1,MOBNQJPULOQDDQ-UHFFFAOYSA-N
-rxn:4:184100:222722,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c1,YSBZYXZXPXZXMZ-UHFFFAOYSA-N
-rxn:4:184165:223568,CC(=O)Oc1c(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)cc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12,YQOZDFKPSJRQOG-UHFFFAOYSA-N
-rxn:4:184167:224484,CC(C)N(C(=O)c1ccccc1-c1ccc2cc(CN(C(=O)OC(C)(C)C)C3CC3)ccc2c1)C(C)C,DMYCSCOHOBNVND-UHFFFAOYSA-N
-rxn:4:184168:224738,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(OCC3CC3)cc(C(F)(F)F)c2)c2ccccc12)C1CC1,XDBPPYIWUPWIEE-UHFFFAOYSA-N
-rxn:4:184193:225554,CCOc1cc(=O)n2c(c1C(=O)OCc1cccc(-c3ccc(OC(C)(C)C)c(C#N)c3)c1)CCCCC2,OCUFCZLWLHDTJK-UHFFFAOYSA-N
-rxn:4:184194:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(-c4cc(C(=O)OC(C)C(=O)c5ccccc5)c5ccccc5n4)cc3)cc21,SSJSOVXNXGLJNN-UHFFFAOYSA-N
-rxn:4:184229:223500,CCCCC(CC)Cn1c2ccccc2c2cc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc21,FNWBWVVPMXJCCT-UHFFFAOYSA-N
-rxn:4:184231:224370,COCCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cc(-c2cc(C(F)(F)F)ccc2C(=O)OC(C)C)ccc1OC,WVYJOYMNWRPIES-UHFFFAOYSA-N
-rxn:4:184235:224732,CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)OCC(C)(C)C)cc2)cc1,QLRHXOTVBIEXLC-UHFFFAOYSA-N
-rxn:4:184298:223867,CC1CCN(CCCOc2cccc(-c3cccc(OCCC(F)(F)F)c3[N+](=O)[O-])c2)CC1,LQFZCCPPCXBICS-UHFFFAOYSA-N
-rxn:4:184344:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(OCCOC)c([N+](=O)[O-])cc3F)cc2)CC1,IOHUCFVUFWDPTG-UHFFFAOYSA-N
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-rxn:4:193283:222696,O=C(c1cc(-c2cc(F)c(C(=O)N3CCOCC3)c(F)c2)ccc1F)N1CCC(O)CC1,QGQTZUWXYRMZHC-UHFFFAOYSA-N
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-rxn:4:193509:224421,CC(C)c1cc(C(C)C)c(-c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc2F)c(C(C)C)c1,VXJUVZJNRAJYPB-UHFFFAOYSA-N
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-rxn:4:193614:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1cc(N2CCCCC2)cc(C(F)(F)F)c1,HLIPYEXSMKZXRX-UHFFFAOYSA-N
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-rxn:4:193780:224489,Cc1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1-c1cc(F)ccc1CN(C(C)C)C(C)C,YJIVXIWROITMMJ-UHFFFAOYSA-N
-rxn:4:193832:223588,Cc1cc(S(=O)(=O)N2CCCC2)c(C)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,ONFIBXXQWDZXGE-UHFFFAOYSA-N
-rxn:4:193874:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCC(C)CC2)c(F)c1,AMYWPSHAIXJQBP-UHFFFAOYSA-N
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-rxn:4:193909:222514,COc1ccc(-c2ccc(C=C3SC(=S)N(C4CCCCC4)C3=O)o2)cc1S(=O)(=O)NC1CCCCC1,UNMRFVDKOWYUGQ-UHFFFAOYSA-N
-rxn:4:193952:224484,CC(C)N(C(=O)c1ccccc1-c1ccc(CN2CCC3(CC2)OCCO3)cc1)C(C)C,GNAPORWCJHPBSJ-UHFFFAOYSA-N
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-rxn:4:193983:224063,Cc1c(C(=O)N2CC(C)CC(C)C2)cccc1-c1cc(C2CC2)cc(N2CCCC(C)C2)c1,DEKYXBQHWAYNDU-UHFFFAOYSA-N
-rxn:4:194296:223497,CC(c1ccc(-c2cc(CC#N)cc3c2OCCCO3)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,OOGBLFMWZDXHHN-UHFFFAOYSA-N
-rxn:4:194506:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc4c3C(=O)C(=O)N4Cc3ccccc3)cc2)CC1,CWIXGDZBGIVBGV-UHFFFAOYSA-N
-rxn:4:194539:223823,CC(C)S(=O)(=O)N1Cc2ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2C1,IPMPBWYQQACFNK-UHFFFAOYSA-N
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-rxn:4:194669:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccc2c(c1)CN(C(=O)C(C)(C)C)[C@@H]2C,NLXRQPAWEBPEDN-MRXNPFEDSA-N
-rxn:4:194710:222706,FC(F)(F)c1ccc(C2CCNCC2)cc1-c1ccc2c(c1)CCC2N1CCC(C(F)(F)F)CC1,RVLDTVQUCGKVOF-UHFFFAOYSA-N
-rxn:4:194710:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2ccc3c(c2)CCC3N2CCC(C(F)(F)F)CC2)cc1C,LEBZBDDVGIJIJQ-UHFFFAOYSA-N
-rxn:4:194712:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc3c(c2)C(N2CCCC(C(F)(F)F)C2)CC3)cn1,ACSODWLWKCINLI-UHFFFAOYSA-N
-rxn:4:194750:226175,Cc1cc(N2CCCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,IUQWSGCPAUJZCI-UHFFFAOYSA-N
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-rxn:4:196638:223606,O=C1CS(=O)(=O)CN1c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1,GLJZPFVFJCJSSU-UHFFFAOYSA-N
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-rxn:4:199436:224377,CCOC(=O)COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nc1[N+](=O)[O-],WSZXTXFLAOOZKA-UHFFFAOYSA-N
-rxn:4:199441:224737,CCOC(=O)Cc1ccc(C#N)c([N+](=O)[O-])c1-c1ccc(OCC(C)C)cc1C(F)(F)F,VFUPAYQKDFZKBI-UHFFFAOYSA-N
-rxn:4:199484:223928,COCCN(Cc1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)nc1)C(C)=O,QFYYDVUYYOMORR-UHFFFAOYSA-N
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-rxn:4:202292:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(CN4CCC(C(F)(F)F)CC4)c(N4CCOCC4)c3)cn2)CC1,VCSIFRANSAIWKW-UHFFFAOYSA-N
-rxn:4:202310:226318,CN(C)c1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc(C2CC2)n1,MMMNFEMIPWXURW-UHFFFAOYSA-N
-rxn:4:202310:228891,N#Cc1c(Cl)cncc1-c1ccc(S(=O)(=O)N2CCCSCC2CN2CCOCC2)cc1,NSZKFIAJXZQQBT-UHFFFAOYSA-N
-rxn:4:202311:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CN3CCC(C(=O)N4CCC(F)(F)CC4)CC3)cc2)cc1,GOQGGEYLVBGKRC-UHFFFAOYSA-N
-rxn:4:202328:223183,CNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)c(C)c1,MHEJQLKQCGOJMO-UHFFFAOYSA-N
-rxn:4:202328:227506,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(/C=C/[N+](=O)[O-])c3)CC2)CC1,QBUVRFSHOZASRY-GIJQJNRQSA-N
-rxn:4:202337:223816,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cc5c(Cl)ccnc5n4COCC[Si](C)(C)C)o2)CC3)cc1,MFIJRHSUUFLVAX-UHFFFAOYSA-N
-rxn:4:202356:223822,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cc(C(F)(F)F)ccc1C(=O)OCC(C)(C)C,CXTKCFDORTVXHJ-UHFFFAOYSA-N
-rxn:4:202371:223520,CCOC(=O)Cc1cnc2c(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cccn12,PCXQWFXRUGLLTL-UHFFFAOYSA-N
-rxn:4:202483:223689,C#CCn1c(=NC(=O)c2ccccc2-c2ccc(OC)c(S(=O)(=O)N3CCN(CC)CC3)c2)sc2cc(F)ccc21,IEOMIAOQHVPKOL-UHFFFAOYSA-N
-rxn:4:202526:227260,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(OC)c(COC)c2)cc1,XBHKZSVBTFKUFR-UHFFFAOYSA-N
-rxn:4:202592:224874,CC(C)(C)[Si](C)(C)OCc1nn2c(c1-c1cccc(COC3CCCCC3)c1)CCC2,IMTFOCPWPPDOTL-UHFFFAOYSA-N
-rxn:4:202597:225426,CCCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccc(C(C)N(CC)CC)cc3)ccc21,MCUBXBYKAWJKFG-UHFFFAOYSA-N
-rxn:4:202600:225330,CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(-c2cc(C(=O)OC)nc(C(=O)OC)c2)c1,FTNQZQMZJSOJFZ-UHFFFAOYSA-N
-rxn:4:202602:226562,CCOc1c(F)cc(-c2ccc(C3C(C(=O)OC)=C(C)N=C4SC(CC)C(=O)N43)cc2)cc1OC,MAAKZTMKKVBQFI-UHFFFAOYSA-N
-rxn:4:202698:225178,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3ccc(CN4CCOCC4)cc3F)ccc21,NDWLEEUPPAVOJE-UHFFFAOYSA-N
-rxn:4:202726:224076,CC(C)(C)OC(=O)N1CCC(N2CCc3cc(-c4ccc5c(ccn5[Si](C)(C)C(C)(C)C)c4)ccc32)CC1,RODGWAVHHNLSFV-UHFFFAOYSA-N
-rxn:4:202807:224088,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCCCCC3)cc2)cc1,VSLLQSVOJSLJFY-UHFFFAOYSA-N
-rxn:4:202807:224679,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cc(Cl)cc(C(=O)N3CCCCC3)c2)cc1,MQSPNJYXAZNRHD-UHFFFAOYSA-N
-rxn:4:202807:224886,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(CN3CCC(C)CC3)cc2)cc1,RIQNLKQFFBSWCK-UHFFFAOYSA-N
-rxn:4:202807:225890,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cnn(COCC[Si](C)(C)C)c2)cc1,HCOBYWSXYVWKOD-UHFFFAOYSA-N
-rxn:4:202875:223541,N#CCc1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cccc1[N+](=O)[O-],PGZYHPOSSPIFCM-UHFFFAOYSA-N
-rxn:4:203443:222521,COC(=O)C(C)n1nc(C)c(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)c1C,ZXIYMZQKMJYRAU-UHFFFAOYSA-N
-rxn:4:203531:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCN=C3SC)cc2)cc1S(=O)(=O)NC1CCCCC1,FFRYGFAOERNDKH-UHFFFAOYSA-N
-rxn:4:203724:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)NN2CCCCC2)cc1,ZJHBDHMIWCYWEB-UHFFFAOYSA-N
-rxn:4:203725:223526,CC(C)Sc1ncc(-c2ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)n1C,GOXFSVSXJKVGNK-UHFFFAOYSA-N
-rxn:4:203738:224617,COC1CCN(C(=O)c2ncc(-c3ccc(OCCN4CCCC4)c(Cl)c3)cc2Cl)CC1,WZBMUWMXFHBOKG-UHFFFAOYSA-N
-rxn:4:203768:223569,Cc1cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cnc1N(C)C(=O)C(C)(C)C,DUZWVBWOYLTRJE-UHFFFAOYSA-N
-rxn:4:203834:225331,CCOc1cc(OC(F)(F)F)cc(-c2cccc(C(=O)N3CCC(N4C(=O)CSC4=O)C3)c2)c1,WYPSQBQZLWDOIJ-UHFFFAOYSA-N
-rxn:4:203874:223599,CN1CCN(CCc2ccc(-c3cc4cc(C(F)(F)F)ccc4n3C(=O)OC(C)(C)C)c(F)c2)CC1,WLNAUQPNWCSKFJ-UHFFFAOYSA-N
-rxn:4:203878:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3CN3CCC(C)CC3)cc2)CC1,JYKCFUWDLJUVEU-RQNOJGIXSA-N
-rxn:4:203923:223536,Cc1cc(N(C)CC2CCOCC2)ncc1-c1cc(F)c(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,RKHGGBONVFPVJC-UHFFFAOYSA-N
-rxn:4:203934:223054,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(C)N2CCC(O)C2)s1,FNLXLQODLLYBND-UHFFFAOYSA-N
-rxn:4:203937:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2CC(N3CCCC3)C2)cc1S(=O)(=O)NC1CCCC1,SZLNCLJKWAUFNS-UHFFFAOYSA-N
-rxn:4:203969:225357,CCOc1cc(-c2cccc(C(=O)N3CCN(C(C)C)CC3)c2F)c(F)c(C(F)(F)F)c1,ZOBPIACHSQGMGQ-UHFFFAOYSA-N
-rxn:4:203986:227585,CCOc1c(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)c2)ccc(Cl)c1F,IFQCSVOHPTWSHA-UHFFFAOYSA-N
-rxn:4:204016:222809,CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1cncc(CC2CCCN(S(C)(=O)=O)CC2)c1,CIPNOWJQCACPED-UHFFFAOYSA-N
-rxn:4:204019:223561,CC1CN(Cc2ccccc2-c2ccc(N(C(=O)OC(C)(C)C)c3ccccc3)cc2)CCN1S(C)(=O)=O,KJFAFUPBGNWVBU-UHFFFAOYSA-N
-rxn:4:204026:224718,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2ccc(OCCN3CCOCC3)nc2)CC1,VZXMLUCDDZLZTD-UHFFFAOYSA-N
-rxn:4:204028:224305,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1cccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2F)c1,MYJQZWJYSYOQDX-SFHVURJKSA-N
-rxn:4:204103:224818,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cc1)N1CCC(N2CCCC2)CC1,YEKJMTFZKJHHBK-UHFFFAOYSA-N
-rxn:4:204115:225181,O=S(=O)(c1ccccc1-c1cccc(CN2CCOCC2)c1F)N1CCCN(C2CCC2)CC1,BKNKQLVPGZLGMF-UHFFFAOYSA-N
-rxn:4:204122:224373,COc1ccc(-c2ccc(C3CCCCN3S(=O)(=O)c3ccc(C)cc3)cn2)cc1S(=O)(=O)N1CCCC1,VYOPKEWMKSXHFM-UHFFFAOYSA-N
-rxn:4:204134:223191,CNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)cc1F,ASSAYZKJTADIGV-UHFFFAOYSA-N
-rxn:4:204134:223192,CNS(=O)(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)ccc1F,YIHYFWCPWQNZJV-UHFFFAOYSA-N
-rxn:4:204149:224970,CC1CCN(Cc2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2N2CCCC2)CC1,GAEUSXRBWCBPEF-UHFFFAOYSA-N
-rxn:4:204169:223141,CC1CN(Cc2ccc(-c3cncc(C4CCNCC4)c3)cc2N2CCCCC2)CCO1,IRUULXUNUHKGMN-UHFFFAOYSA-N
-rxn:4:204171:223136,CC1CCCN(Cc2ccc(-c3ccncc3C3CCCNC3)cc2N2CCCCC2)C1,UPQIWKBTFUWPCM-UHFFFAOYSA-N
-rxn:4:204172:226665,CC1CCN(Cc2ccc(-c3cnc(C4CCCOC4)nc3)cc2N2CCCCC2)CC1,YBNDGVBINFXDKO-UHFFFAOYSA-N
-rxn:4:204738:224656,CCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3ccc(OC)c(OC4CCCC4)c3F)ccc21,IRXOYHUKMDQNNG-UHFFFAOYSA-N
-rxn:4:204753:224484,CC(C)N(C(=O)c1ccccc1-c1ccc(N2C(=NC(=O)c3ccccc3)SC3CS(=O)(=O)CC32)cc1)C(C)C,IHBAJXSVFTUPOW-UHFFFAOYSA-N
-rxn:4:204757:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc2c(ccn2CC(=O)N2CCC3(CC2)OCCO3)c1,DFIGTVIRIVPVIX-UHFFFAOYSA-N
-rxn:4:204775:224725,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3ccc(C)c(S(=O)(=O)N(CC)CC)c3)ccc21,QBPIYPFXXUTEJA-UHFFFAOYSA-N
-rxn:4:204821:223835,Cc1ccc(N2C(=O)N(Cc3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)c(C)cc4F)cc3F)c3ccccc3S2(=O)=O)cc1,MACZTJOYKPAENU-UHFFFAOYSA-N
-rxn:4:204845:222777,Cc1cc(C)cc(N2C(=O)N(Cc3ccc(-c4ccc(CN5CCC(O)CC5)c(Cl)c4)cc3F)C3CS(=O)(=O)CC32)c1,AMKBFEMEIAOTNV-UHFFFAOYSA-N
-rxn:4:204864:224414,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(C(F)(F)C(F)(F)C(F)(F)F)nc1,RRUGSEPQTQCSIA-UHFFFAOYSA-N
-rxn:4:204870:227479,CCCOc1ccc(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(F)cc43)cc2C)c(F)n1,XCSNNFBFLJOTBC-UHFFFAOYSA-N
-rxn:4:204874:226865,O=C1C2C(c3ccc(-c4ccc(Cl)c(OC(F)(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1cccc([N+](=O)[O-])c1,RYGMLVVTBNELNG-UHFFFAOYSA-N
-rxn:4:205897:223787,CN1CCN(CCCOc2ccc(-c3nc(C(=O)N4CCOCC4)cs3)cc2F)CC1,ZDJBUHJWQBASJA-UHFFFAOYSA-N
-rxn:4:206351:222439,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)nc1)N1CCOCC1,JVYMBJVJEHYPLZ-UHFFFAOYSA-N
-rxn:4:206431:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(C(=O)N4CCOCC4)c3)cn2)CC1,PEYSSQVMBMXDFF-UHFFFAOYSA-N
-rxn:4:206433:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(Cl)c(C(=O)N4CCSCC4)c3)ccc2C1,DYKPTKRQNBFFKZ-UHFFFAOYSA-N
-rxn:4:206437:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C(=O)N4CCSCC4)cnc3Cl)cc2F)CC1,PHIMSAIJSMEXRP-UHFFFAOYSA-N
-rxn:4:206444:222546,O=C(c1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cc1Cl)N1CCOCC1,BXISDCWJDDXQGJ-UHFFFAOYSA-N
-rxn:4:206444:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(C(=O)N4CCOCC4)c(Cl)c3)c(F)c2)CC1,JIACEXGITLJNNX-MXVIHJGJSA-N
-rxn:4:206445:223911,CCOC(=O)C1(c2ccc(-c3cc(Cl)cnc3C(=O)N3CCOCC3)cc2)CCOCC1,JDMDESGCOXJDMF-UHFFFAOYSA-N
-rxn:4:206522:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)nc2)cc1S(=O)(=O)NC1CCCC1,QYRLGKPOJRLLCH-UHFFFAOYSA-N
-rxn:4:206522:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)nc1,QSTKLXMKPJAKCB-UHFFFAOYSA-N
-rxn:4:206525:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)nc3)c3ccccc23)CC1,QNZQRYLSCBAHOB-UHFFFAOYSA-N
-rxn:4:207000:223599,CC(C)N1CCOC(c2ccc(-c3cc4cc(C(F)(F)F)ccc4n3C(=O)OC(C)(C)C)cn2)C1,BGWNZKUZDJRTPM-UHFFFAOYSA-N
-rxn:4:207015:224194,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(C)CC4)c(C)c3)cc2Cl)CC1,RNJZDLJRRSUBTD-UHFFFAOYSA-N
-rxn:4:207061:222723,CN1CCCN(S(=O)(=O)c2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)c2)CC1,UTMUFNHFLZLGBD-UHFFFAOYSA-N
-rxn:4:207064:224621,Cc1cc(-c2ccc(OCCN3CCSCC3)cc2)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl,ATWJLNRNVMBPIV-UHFFFAOYSA-N
-rxn:4:207069:223997,Cc1cc(-c2ccc(C3CC3)cc2N2CCN(C)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,HTUMYMCYNXGSMN-UHFFFAOYSA-N
-rxn:4:207069:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C2CC2)cc1N1CCN(C)CC1,IGRUONDIYUVDGG-UHFFFAOYSA-N
-rxn:4:207069:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C2CC2)cc1N1CCN(C)CC1,VSMZGRCTLMOVMI-UHFFFAOYSA-N
-rxn:4:207069:224394,Cc1ccc(-c2ccc(C3CC3)cc2N2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1,BIMCOTYYGAHUFK-UHFFFAOYSA-N
-rxn:4:207069:224396,Cc1cc(-c2ccc(C3CC3)cc2N2CCN(C)CC2)ccc1S(=O)(=O)N1CCOCC1,GCABQQKBNVVKSK-UHFFFAOYSA-N
-rxn:4:207070:223997,Cc1cc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,UDMZGRCIIOCXBG-UHFFFAOYSA-N
-rxn:4:207070:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(C2CC2)cc(N2CCN(C)CC2)c1,OXGOZWGTSMMDIP-UHFFFAOYSA-N
-rxn:4:207070:224394,Cc1ccc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cc1S(=O)(=O)N1CCOCC1,KAOLWUKSAGLBMR-UHFFFAOYSA-N
-rxn:4:207070:224396,Cc1cc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)ccc1S(=O)(=O)N1CCOCC1,SIPJUXAEVQPXSP-UHFFFAOYSA-N
-rxn:4:207071:223997,Cc1cc(-c2cc(N3CCN(C)CC3)ccc2C2CC2)cc(C)c1S(=O)(=O)N1CCOCC1,YYPJDNVBWAEIFF-UHFFFAOYSA-N
-rxn:4:207071:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(N2CCN(C)CC2)ccc1C1CC1,IPCDSHJREGETAE-UHFFFAOYSA-N
-rxn:4:207071:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(N2CCN(C)CC2)ccc1C1CC1,RMCIUADTKJPKAE-UHFFFAOYSA-N
-rxn:4:207071:224394,Cc1ccc(-c2cc(N3CCN(C)CC3)ccc2C2CC2)cc1S(=O)(=O)N1CCOCC1,LLEJQQCPHRHCHY-UHFFFAOYSA-N
-rxn:4:207071:224396,Cc1cc(-c2cc(N3CCN(C)CC3)ccc2C2CC2)ccc1S(=O)(=O)N1CCOCC1,QNKBKFHYXUZZGN-UHFFFAOYSA-N
-rxn:4:207073:223997,Cc1cc(-c2ccc(N3CCN(C)CC3)cc2C2CC2)cc(C)c1S(=O)(=O)N1CCOCC1,FHYHGUSHRYECEM-UHFFFAOYSA-N
-rxn:4:207073:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(N2CCN(C)CC2)cc1C1CC1,VHRMOPSVIIRXIR-UHFFFAOYSA-N
-rxn:4:207073:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(N2CCN(C)CC2)cc1C1CC1,CYOVACZYOWFOOB-UHFFFAOYSA-N
-rxn:4:207073:224394,Cc1ccc(-c2ccc(N3CCN(C)CC3)cc2C2CC2)cc1S(=O)(=O)N1CCOCC1,MXWQEEDKMHRMDJ-UHFFFAOYSA-N
-rxn:4:207073:224396,Cc1cc(-c2ccc(N3CCN(C)CC3)cc2C2CC2)ccc1S(=O)(=O)N1CCOCC1,FCRLWPZZBUSYHE-UHFFFAOYSA-N
-rxn:4:207074:223997,Cc1cc(-c2cc(C3CC3)ccc2N2CCN(C)CC2)cc(C)c1S(=O)(=O)N1CCOCC1,ZWULNIJWSOWQFX-UHFFFAOYSA-N
-rxn:4:207074:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc(C2CC2)ccc1N1CCN(C)CC1,GSVLPMZUEDQDPV-UHFFFAOYSA-N
-rxn:4:207074:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(C2CC2)ccc1N1CCN(C)CC1,MJHDUBUUQPSBIT-UHFFFAOYSA-N
-rxn:4:207074:224394,Cc1ccc(-c2cc(C3CC3)ccc2N2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1,COXUNCFVOZDNEZ-UHFFFAOYSA-N
-rxn:4:207074:224396,Cc1cc(-c2cc(C3CC3)ccc2N2CCN(C)CC2)ccc1S(=O)(=O)N1CCOCC1,QQBOGMDTWICVRR-UHFFFAOYSA-N
-rxn:4:207577:222538,CC(C)n1ncc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1C12CCCC1O2,MIJBTASHFQYGNF-UHFFFAOYSA-N
-rxn:4:207621:223541,O=S(=O)(c1cc(F)c(F)cc1-c1ccc2[nH]cc(CN3CCCC3)c2c1)N1CCC2(CC1)OCCO2,PZRIIWFKIHLSQC-UHFFFAOYSA-N
-rxn:4:207689:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)sc(=NC(=O)C1=COCCO1)n2C,TUZBAOLRBNEKGP-UHFFFAOYSA-N
-rxn:4:207736:224325,CN1C2CCC1CC(Oc1ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn1)C2,HPLWRYJESQOCPJ-UHFFFAOYSA-N
-rxn:4:207786:223872,CCN(C(=O)c1cccc(-c2ccc3c(c2)CN(c2ccc(S(N)(=O)=O)cc2)C(=O)CO3)c1)C1CCCCC1,DUOFGUUXUFUVEU-UHFFFAOYSA-N
-rxn:4:207857:227001,CC1OC2(CC3CCC(C2)N3C(=O)c2ccc(-c3cccc(SCC4CC4)c3)o2)CN(C)C1=O,RVAFRLBXBIKVLL-UHFFFAOYSA-N
-rxn:4:207858:224239,CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(-c3ccc(F)c(F)c3OCc3ccccc3)ccc21,KXHNWYPBVJSXMO-UHFFFAOYSA-N
-rxn:4:207890:225300,Cc1c(-c2ccc(OC3CCOCC3)nc2F)cnn1CC12CC3CC(CC(C3)C1)C2,FKSVNNYHKSJEJM-UHFFFAOYSA-N
-rxn:4:207959:226649,Cc1ccc(C2=NN3C(C2)c2cc(-c4cccnc4N4CCOCC4)ccc2OC3C2CCCCC2)cc1,HUKBJLVDZLYNQG-UHFFFAOYSA-N
-rxn:4:208160:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(Cl)c([N+](=O)[O-])n3)c(F)c2)CC1,DXAMWDBPRCELIY-UHFFFAOYSA-N
-rxn:4:209691:223602,CN1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cc2)C1=O,MSWYIDAWFODVPJ-UHFFFAOYSA-N
-rxn:4:209691:223687,CN1CCN(c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)C1=O,LPYYZBVJBHZGLA-UHFFFAOYSA-N
-rxn:4:209752:223660,CC1CCCN1c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cn1,RUXYUOBLBNHTIR-UHFFFAOYSA-N
-rxn:4:210680:223490,Cc1ccc(-c2ccc(C3COC3)c3nccnc23)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,CVMDKTUGTKTBTE-UHFFFAOYSA-N
-rxn:4:211029:222466,Cc1nn(C2CCCCO2)c2c(F)ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c12,FMSJICVPWFUZPX-UHFFFAOYSA-N
-rxn:4:212607:223047,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(F)cc(C(=O)NC4CC4)c3)cn2)CC1,ATEZPPQOPMFYPO-UHFFFAOYSA-N
-rxn:4:212608:223059,CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(-c3ccc(N4CCNCC4)cc3Cl)cn2)C1,SNJRUHHTAIIEEO-UHFFFAOYSA-N
-rxn:4:212619:224621,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCSCC4)cc3)cn2)C1,PRPKDBXCXBDWBI-UHFFFAOYSA-N
-rxn:4:212649:223602,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)C1,SFVLXQKKFKVAQZ-UHFFFAOYSA-N
-rxn:4:212662:224754,COc1ccc(CN2CCCC(COc3ncc(-c4ccccc4S(=O)(=O)N4CCCCC4)cn3)C2)cc1,FRRFKIUUXJZXAZ-UHFFFAOYSA-N
-rxn:4:212662:224760,COc1ccc(CN2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cn3)C2)cc1,JUCMUSGPROWQAA-UHFFFAOYSA-N
-rxn:4:212711:222546,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)CC2)nn1,QTAJYEMKDMACPC-UHFFFAOYSA-N
-rxn:4:212714:222723,Cc1ccccc1-n1c(-c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2)cnc1SCC(=O)N1CCCC1,LKKGVXKNPAZRJK-UHFFFAOYSA-N
-rxn:4:212722:223480,Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cc2)C(=O)N2CCN(C)CC2)cc1,MRULAWAFSUFXAE-UHFFFAOYSA-N
-rxn:4:212737:224385,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3cnc(-c4ccccc4C(F)(F)F)nc3)c2)CC1,LPNQLDRLNCLULO-UHFFFAOYSA-N
-rxn:4:212742:223949,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(N(C)C)nc2OCc2ccccc2)cc1N1CCCC1,AQVJYLSLOWIIKD-UHFFFAOYSA-N
-rxn:4:212749:226550,CCCOc1c(F)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCCCC3)c2)cc1F,AXVGYWYMEOSVJO-UHFFFAOYSA-N
-rxn:4:212771:225979,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2s1,LDZXHDPMYLZNFP-UHFFFAOYSA-N
-rxn:4:212839:225833,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(N5CCCCC5)c4F)ccn23)CC1,YOLMJJCYVBFWBN-UHFFFAOYSA-N
-rxn:4:212936:224668,CCN1CCN(c2cc(F)cc(-c3ccc(N4CCN(CCOC(C)=O)CC4)nc3)c2)CC1,YSHZDTDAMKZYMJ-UHFFFAOYSA-N
-rxn:4:213023:223841,Cc1cc(F)c(-c2cccnc2OC2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1S(=O)(=O)N1CCN(C)CC1,JEGUJTDWPFSLTB-UHFFFAOYSA-N
-rxn:4:213049:223576,CC1CCN(c2oc(COc3ccc(-c4cccc(OC5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)nc2C#N)CC1,GRKSUZCLWWCBPU-UHFFFAOYSA-N
-rxn:4:213076:222635,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)cn2)cc1,PXJIEUHMDISEOU-NRFANRHFSA-N
-rxn:4:213076:223885,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cn2)cc1,NYHLLFUROWXBDN-UHFFFAOYSA-N
-rxn:4:213083:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cnc(OCC3CCN(Cc4ccccc4)CC3)nc2)cc1,SZPKEMCCVPAIDF-UHFFFAOYSA-N
-rxn:4:213086:222722,CCc1cnc(OC2CCN(Cc3ccc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)o3)CC2)nc1,SUSHZLJEDMBIFA-UHFFFAOYSA-N
-rxn:4:213108:224763,O=C(CCc1ccccc1-c1cc(Cl)ccc1C(=O)N1CCOCC1)N1CCN(c2ccccn2)C(=O)C1,CLYTXTLRPMSFMT-UHFFFAOYSA-N
-rxn:4:213131:224759,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,CYOBBCRRJNBYJU-UHFFFAOYSA-N
-rxn:4:213144:225197,CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2cc(F)c(OC3CCCC3)c(Cl)c2)CC1,FJQGDJZXOQHKAO-UHFFFAOYSA-N
-rxn:4:213192:227464,CCCCSc1ncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cn1,PNSIDQKLSIGOBK-UHFFFAOYSA-N
-rxn:4:213217:222844,CCN1CCN(c2ncc(-c3cccc(NC(=O)C4CCCC4)c3)cc2C(=O)OC(C)(C)C)CC1,DFRSLFQQQOYHLC-UHFFFAOYSA-N
-rxn:4:213217:227594,CCN1CCN(c2ncc(-c3cccc(Cl)c3C(=O)OC)cc2C(=O)OC(C)(C)C)CC1,QALMHNYYWXYVLV-UHFFFAOYSA-N
-rxn:4:213233:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCC(Cn5ccnc5-c5ccccc5)CC4)o3)cn2)CC1,LJVYIZUSEYCFLC-UHFFFAOYSA-N
-rxn:4:213272:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1ccc(OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc1,HMEVUBJCDBJFPA-UHFFFAOYSA-N
-rxn:4:213368:222678,CC(C)(C)OC(=O)NCc1ccc(-c2ccccc2CCC(=O)N2C3CCC2CC(n2cccn2)C3)cc1F,NOUCJSDBNLXWQE-UHFFFAOYSA-N
-rxn:4:213415:222591,O=C(CSc1nc2c(c(=O)n1-c1ccc(-c3cccc(S(=O)(=O)NCc4ccccc4)c3)cc1)SCC2)N1CCCCCC1,KSOGKPCGHVYSJU-UHFFFAOYSA-N
-rxn:4:213480:224759,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,GCFNDCJWLNSPJS-SIGULORKSA-N
-rxn:4:213480:225177,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CN5CCSCC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,KSSQSTXIIUPBOE-QPYSNBRXSA-N
-rxn:4:213480:226335,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C5COC5)c(C#N)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LPHLLONKAOJLQU-YYFHDEPCSA-N
-rxn:4:213480:226645,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccnc(N5CCOCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,UIWGKCLBJSZPBX-QUOLTWHMSA-N
-rxn:4:213480:227657,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCOCC5)s4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,PNWOIAAGOMRJOT-KEVCDPDLSA-N
-rxn:4:213658:224566,COC(=O)C1(c2ccc(-c3cnn(CC4CN(C(=O)C5CCCO5)C4)c3)cc2)CCCC1,PFRDZWAHZUHGOU-UHFFFAOYSA-N
-rxn:4:213672:222886,CCOC(=O)N1CCN(c2ncc(Cl)cc2-c2ccc(N3CCNCC3)cc2C#N)CC1,NBMAFGTUOHOIEI-UHFFFAOYSA-N
-rxn:4:213693:222800,Cc1cc(-c2cnn(C(C)C(=O)N3CCCC(C(F)(F)F)C3)c2)cc(C)c1S(=O)(=O)NC(C)C,CUNVETHEMLRWNV-UHFFFAOYSA-N
-rxn:4:213714:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1,IPHYFAFZIPMQOJ-SFHVURJKSA-N
-rxn:4:213716:223563,COc1cc(COc2c(C)cc(-c3cnn(C4CCN(C(=O)OC(C)C)CC4)c3)cc2C)cc(OC)c1,QSGRYUAYEYVAHV-UHFFFAOYSA-N
-rxn:4:213719:225991,COC1CCN(C(=O)C(C)n2cc(-c3cc(C(F)(F)F)nn3CC(C)C)cn2)CC1,IDAFVTKGVRJIMG-UHFFFAOYSA-N
-rxn:4:213721:225173,CC(C)(C)OC(=O)N1CCC(n2ccc(-c3ccc(C(=O)N4CCCC4)cc3F)n2)C1,CJKFYJZQJPUVRR-UHFFFAOYSA-N
-rxn:4:213740:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncc(F)cn4)C3)cc2)cc1S(=O)(=O)NC1CCCCC1,KCZUYWSJNHPYCU-UHFFFAOYSA-N
-rxn:4:213765:222584,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)n2)C1,XFFXYSGFOZPOBN-UHFFFAOYSA-N
-rxn:4:213794:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cnn(CC2CN(CC3CCCCO3)C2)c1,VILHAUQQGSIIPN-UHFFFAOYSA-N
-rxn:4:213830:222573,CC(C)CN1CCC(Cn2cc(-c3cc(F)cc(C(=O)NCC4CCCCC4)c3)cn2)CC1,MKMQEIJNTAEFHB-UHFFFAOYSA-N
-rxn:4:213880:224759,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2cc(F)cc(C(=O)N3CCOCC3)c2)CC1,QCVMFDBQJBITQA-UHFFFAOYSA-N
-rxn:4:213895:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cnc(C2CCCCN2C(=O)OC(C)(C)C)nc1,AEGHIGYBTPRXMR-UHFFFAOYSA-N
-rxn:4:213907:223606,Cc1csc(CN2CCN(C(=O)c3cccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c(F)c4)c3)CC2)n1,BITOKQFGWLGTPM-UHFFFAOYSA-N
-rxn:4:213942:224156,Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc2ccccc2n1C(=O)OC(C)(C)C,SUYKHXDDPCATHM-UHFFFAOYSA-N
-rxn:4:213969:226496,CCN(CC)c1cc(F)c(-c2ccc(C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)o2)cn1,NUUNPOSBCHGDDF-UHFFFAOYSA-N
-rxn:4:214012:222959,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)ccc1C1CCNCC1,ZLSRXXYCBZOWRJ-UHFFFAOYSA-N
-rxn:4:214035:223985,COc1ccc(-c2ccc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)cc2)cc1S(=O)(=O)N1CCCCC1,HLBZTOXRIRYMCF-UHFFFAOYSA-N
-rxn:4:214051:225465,CC(C)c1sc(-c2cccc(C3CCN(C)CC3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,OBEPIKLRMZSOSC-UHFFFAOYSA-N
-rxn:4:214064:222917,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)Nc4nccs4)cc3)cc2N2CCOCC2)CC1,PGNLHYCAFQALCT-UHFFFAOYSA-N
-rxn:4:214119:223866,CC(C)(C)OC(=O)n1nc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c2cc(C#N)ccc21,NQEDZELGMSPCMN-UHFFFAOYSA-N
-rxn:4:214202:225715,COCCOCc1cc(-c2cnc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)nc2)ccc1F,ABPLFYDJJFFZPX-WEYGHZABSA-N
-rxn:4:214231:225883,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(C5CCOCC5)c(Cl)c4)cccc3n2)C1,BBPNAVICFDYOQR-UHFFFAOYSA-N
-rxn:4:214254:224308,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c3)cnc21,HRSFHVLRSHFXKB-UHFFFAOYSA-N
-rxn:4:214278:223635,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc4ccn(CC(=O)N5CCN(c6ccccc6)CC5)c4c3)cc2)CC1,WKZBCMYJBSSTPW-UHFFFAOYSA-N
-rxn:4:214389:224792,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3cc(C(F)(F)F)cnc3SCC(C)C)cc12,LEEGPJWXHXMWRY-UHFFFAOYSA-N
-rxn:4:214390:223112,CCOc1ccc(C2=NN3C(C2)c2cc(-c4c(C(C)C)ccc5[nH]ncc45)ccc2OC32CCN(C(C)=O)CC2)cc1,RLAMMJIXOPVTME-UHFFFAOYSA-N
-rxn:4:214622:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2ccc(N3CCC(C#N)CC3)c([N+](=O)[O-])c2)c1,ATNAEVLJSKUWRN-UHFFFAOYSA-N
-rxn:4:214673:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(C#N)N2CCN(C)CC2)cc1,LHDSMPKVDHUIAU-UHFFFAOYSA-N
-rxn:4:214743:224198,CCN1CCN(Cc2ccc(-c3cccc(N4CCC(N(C)C)CC4)c3C#N)c(F)c2)CC1,IOIAHQIKQGBHRY-UHFFFAOYSA-N
-rxn:4:214768:222900,CN(C)C1CCN(c2ccc([N+](=O)[O-])c(-c3csc(CNC(=O)OC(C)(C)C)c3)c2)CC1,JOFFLOZZLWTBLI-UHFFFAOYSA-N
-rxn:4:214778:225098,CC(C)N1CCN(c2cc(C(F)(F)F)c(-c3ccc(OCCN4CCCC4)nc3)cn2)CC1,NZMDAEGXWNJUJR-UHFFFAOYSA-N
-rxn:4:214819:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)c2Cl)CC1,VYHOLAYRSFGPDF-UHFFFAOYSA-N
-rxn:4:214836:225518,CCCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,YZWJIDFWHAXYCL-UHFFFAOYSA-N
-rxn:4:214859:222583,Cn1ccc(C2CCCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)C2)n1,NPDBPGHDGBQZJN-UHFFFAOYSA-N
-rxn:4:214859:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCCC(c4ccn(C)n4)C3)cc2)CC1,XGICALFOOWFZKM-UHFFFAOYSA-N
-rxn:4:214862:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,CMVRPJHMJSHYRM-UHFFFAOYSA-N
-rxn:4:214866:226355,COc1cc(Cl)c(-c2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1C1CC1,VHDUKMRJILVMMY-UHFFFAOYSA-N
-rxn:4:214872:226554,CCCOc1cc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1F,CWIPCAVCYWYAMG-UHFFFAOYSA-N
-rxn:4:214874:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1,ZWOUXMVHAPCPKL-UHFFFAOYSA-N
-rxn:4:214880:225984,Cc1cc(-c2cnc(Cl)c(N3CCOCC3)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,OSNZPPYISWPSJQ-UHFFFAOYSA-N
-rxn:4:215059:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,QJTACJNVVADFOR-UHFFFAOYSA-N
-rxn:4:215077:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCn4nc(C5CC5)cc4C3)o2)CC1,IKCYPFNAUZZNQT-UHFFFAOYSA-N
-rxn:4:215101:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1,SRJNGBUGVCWBAZ-UHFFFAOYSA-N
-rxn:4:215105:224614,CN(C(=O)OC(C)(C)C)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc1,XAZFZJWBMXCIFC-UHFFFAOYSA-N
-rxn:4:215170:224619,O=C(c1cncc(-c2ccc(OCCN3CCCC3)c(F)c2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,QUUPTODSSYDZRX-UHFFFAOYSA-N
-rxn:4:215201:226266,COC(=O)CCc1ccccc1-c1cnc2n1CCC21CCN(C(=O)OC(C)(C)C)CC1,SXFSCSLMKBYTDI-UHFFFAOYSA-N
-rxn:4:215201:226538,CCOC(=O)c1cc(Cl)ccc1-c1cnc2n1CCC21CCN(C(=O)OC(C)(C)C)CC1,UPNRBCIMGGTOKJ-UHFFFAOYSA-N
-rxn:4:215216:226231,CCCCOc1ncc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1C,ZQMANQGHAPJLJU-UHFFFAOYSA-N
-rxn:4:215233:223893,CCN1CCN(CCOc2cccc(-c3ccc(CN4CCC(N5c6ccccc6N(C)S5(=O)=O)CC4)cc3)c2)CC1,OLFWIDQBQTYHJP-UHFFFAOYSA-N
-rxn:4:215287:223535,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3cccc4c5c([nH]c34)CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C5)cc2F)cc1,CMHKIPJQCCRIIC-UHFFFAOYSA-N
-rxn:4:215295:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)cc1,PCNWJVFYDMLNQY-QHCPKHFHSA-N
-rxn:4:215772:223810,Cc1cc(-c2cncc(N3CCC(C#N)CC3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,ZSXCEHZJZNPGGB-UHFFFAOYSA-N
-rxn:4:215772:223834,Cc1cc(-c2cncc(N3CCC(C#N)CC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,JXZHCHWJLBCOMD-UHFFFAOYSA-N
-rxn:4:215827:223754,CSc1ncc(-c2ccc(OCCCN3CCC(C)CC3)c(Cl)c2)c(N2CCCCC2)n1,FSNRQEISQIDTGO-UHFFFAOYSA-N
-rxn:4:215852:222466,c1c(-c2cc(N3CCOCC3)nc(C3CC3)n2)cc(C2CCNCC2)nc1C1CCCCC1,YTBHITMGKUXNEH-UHFFFAOYSA-N
-rxn:4:215909:224818,CN1CCN(c2cc(F)c(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc2[N+](=O)[O-])CC1,VGHSEHNXQQAVPB-UHFFFAOYSA-N
-rxn:4:215912:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)c2)CC1,QDINEMUTNOUNPX-UHFFFAOYSA-N
-rxn:4:215989:223997,Cc1cc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,WJYQJWPLTKWJED-UHFFFAOYSA-N
-rxn:4:215989:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(N2CCC(N3CCN(C)CC3)CC2)cc1,KJIWRBUKUAUABX-UHFFFAOYSA-N
-rxn:4:215989:224394,Cc1ccc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,HUACAOGRFJAJKV-UHFFFAOYSA-N
-rxn:4:215989:224396,Cc1cc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)ccc1S(=O)(=O)N1CCOCC1,HMSQAFDNEZZKCV-UHFFFAOYSA-N
-rxn:4:215990:223997,Cc1cc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,WLEGOQLLKUHDEW-UHFFFAOYSA-N
-rxn:4:215990:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(N2CCN(C3CCN(C)CC3)CC2)cc1,CTLPVYDTVQWVCM-UHFFFAOYSA-N
-rxn:4:215990:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(N2CCN(C3CCN(C)CC3)CC2)cc1,HWJVBEWCKIAYDE-UHFFFAOYSA-N
-rxn:4:215990:224394,Cc1ccc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,XCLNQJPQJBPOLW-UHFFFAOYSA-N
-rxn:4:215990:224396,Cc1cc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)ccc1S(=O)(=O)N1CCOCC1,DGAKNBMFTUEMKT-UHFFFAOYSA-N
-rxn:4:215990:224818,CN1CCC(N2CCN(c3ccc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cc3)CC2)CC1,OOTISKGFNWAZON-UHFFFAOYSA-N
-rxn:4:216221:222584,CC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3s2)CC1,XWLTXIQKMODLJO-UHFFFAOYSA-N
-rxn:4:217074:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCOCC4)n3)cc2[N+](=O)[O-])CC1,NDBIXNMTYYHPKO-UHFFFAOYSA-N
-rxn:4:217107:223525,CN1CCN(c2cncc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C1=O,WAZPCAGMJNEEET-UHFFFAOYSA-N
-rxn:4:217141:223815,FC1(F)CCN(c2ccnc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)n2)CC1,DLLZPTREVVNCNA-UHFFFAOYSA-N
-rxn:4:217889:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c2)C1,YGQKTRCZHYJQBW-UHFFFAOYSA-N
-rxn:4:218589:226007,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(F)c(OCC(F)(F)F)c4)cn3)C2)cc1,GHRBNKJDDUBJJF-UHFFFAOYSA-N
-rxn:4:218590:225829,CC1CCN(c2ncc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccccc5C#N)C4)nc3)cn2)CC1,FMOOSZUPQKECTK-UHFFFAOYSA-N
-rxn:4:218600:226008,COc1ccc(OC(F)(F)F)c(-c2cnn(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,YSVOTNYAJWRVFB-UHFFFAOYSA-N
-rxn:4:218601:224885,CC1CCN(Cc2ccccc2-c2cnn(CC3CN(C(=O)c4ccc(S(=O)(=O)N(C)C)cc4)C3)c2)CC1,FIVMVGNZWHVEMV-UHFFFAOYSA-N
-rxn:4:218607:224319,COc1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C)cn3)C2)cn1,TZBAVELRGVBETE-UHFFFAOYSA-N
-rxn:4:218607:224760,COc1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cn3)C2)cn1,WARFOJSDPSQART-UHFFFAOYSA-N
-rxn:4:218607:224761,COc1ccc(C(=O)N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)N5CCCCC5)c4)cn3)C2)cn1,UUVQYFSLYFZNSL-UHFFFAOYSA-N
-rxn:4:218621:223509,CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cnc(OC5CCN(S(=O)(=O)CCN6C(=O)CCCC6=O)C5)nc4)c3)cc21,MOTDCVBXKFAPCT-UHFFFAOYSA-N
-rxn:4:218668:222411,CNC(=S)Nc1ccc(-c2cccnc2OC2CCN(C(=O)CN3CCN(c4ccccc4)C3=O)C2)cc1,JOQCNLYDSBQPIZ-UHFFFAOYSA-N
-rxn:4:218692:222520,Cc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(-c5ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c5)c(C)c4)c3C)c(C)o2)cc1,MFPDQZVGLMVYMN-UHFFFAOYSA-N
-rxn:4:218713:224255,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cc(F)cc(C(=O)N5CCCC(C)C5)c4)c3C)CC2)cc1C,COENLMSZASMWFE-UHFFFAOYSA-N
-rxn:4:218721:224400,CCCCCCCn1c(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)nc2c1c(=O)n(C)c(=O)n2C,HVMIUYWIGDMZQQ-UHFFFAOYSA-N
-rxn:4:218755:223988,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3sc(-c4ccc(Oc5cccc(C(F)(F)F)c5)nc4)cc3n(CC#N)c2=O)CC1,BAZOFSVQDMRCBO-UHFFFAOYSA-N
-rxn:4:218768:225294,CCN1CCN(c2ncc(-c3cc(CCC(=O)N4Cc5cnc(N6CCOCC6)nc5C4)ccc3OC)cn2)CC1,FOALUHVIWWCOHV-UHFFFAOYSA-N
-rxn:4:218769:222740,CC(C)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2)cc(C2CCCNC2)n1,BQXXJSMUSMXIDP-UHFFFAOYSA-N
-rxn:4:218777:225908,CCOc1ccc(C(F)(F)F)cc1-c1c(C)nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1C,TULZBAIQEHZVKR-UHFFFAOYSA-N
-rxn:4:218778:225882,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cnc(Cl)c(C5CCOCC5)c4)cc(Cl)cc32)cc(C)c1F,RFXIEXQIWBXGDB-UHFFFAOYSA-N
-rxn:4:218786:222465,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cccc4c3C2)CC1,SPUDJFQKRANGDN-UHFFFAOYSA-N
-rxn:4:218822:222546,N#Cc1nccnc1OC1CCCN(C(=O)c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)o2)C1,UYMTUWDUNOPGJQ-UHFFFAOYSA-N
-rxn:4:218854:222546,COCc1cn(C2CCN(C(=O)c3cc(-c4ccc(OCCNC5CCCCC5)c(F)c4)ccc3Cl)C2)nn1,VBUWFZGIBLPUBY-UHFFFAOYSA-N
-rxn:4:218867:225227,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCC(C)CC4)c(Cl)c3)c2)no1,QCZNPOCSPUHBGI-UHFFFAOYSA-N
-rxn:4:218885:223602,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,HSDYJCCNECDHAI-UHFFFAOYSA-N
-rxn:4:218919:222584,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(OCCCN4CCNCC4)c(F)c3)C2)cn1,IPRVWDKMUPLXPP-UHFFFAOYSA-N
-rxn:4:218922:224797,CCCCOc1c(F)c(F)c(-c2cnc(OCC3CCN(c4ncccc4C(F)(F)F)CC3)nc2)c(F)c1F,GYFLFYMSRPAOEE-UHFFFAOYSA-N
-rxn:4:218944:228088,CCCSc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cn1,VMGQRJFJLZFABN-UHFFFAOYSA-N
-rxn:4:218998:222584,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,XUAZLIGKFLQVEG-UHFFFAOYSA-N
-rxn:4:219000:225190,COc1cc(N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2CCN(CCn3ncccc3=O)CC2)cc1,FWMMLQDARPNNMI-UHFFFAOYSA-N
-rxn:4:219001:225913,CCOc1ccc(-c2cccnc2OC2CCN(C(=O)N3CCN(CC)C(=O)C3=O)C2)cc1C(F)(F)F,KEDKGTLRZKZCTP-UHFFFAOYSA-N
-rxn:4:219030:224825,CON(C)C(=O)c1cc(-c2ccc(-c3noc(CCN4CCN(C(C)C)CC4)n3)cc2)cc([N+](=O)[O-])c1,TZSXWIBWBGERRM-UHFFFAOYSA-N
-rxn:4:219088:224458,CCCCn1c(=O)c2c(nc(-c3ccc(C(C)N4CCC(C)CC4)cc3)n2CC(C)=O)n(C)c1=O,RKXKCMOPEZFJAS-UHFFFAOYSA-N
-rxn:4:219093:223753,CCC(=O)C1=C(c2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,ISOVDERTYVJTEH-UHFFFAOYSA-N
-rxn:4:219093:224863,CCC(=O)C1=C(c2ccc(-c3ccccc3CN(C(C)C)C(C)C)cc2)N(C(=O)CC)n2cnnc2S1,IJYHEIZKBQIKMM-UHFFFAOYSA-N
-rxn:4:219107:222907,CCC(=O)C1=C(c2ccc(-c3ccncc3NC(=O)OC(C)(C)C)cc2)N(C(=O)CC)n2c(C)nnc2S1,FIOSBHMGHFGTNW-UHFFFAOYSA-N
-rxn:4:219107:225979,CCC(=O)C1=C(c2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2)N(C(=O)CC)n2c(C)nnc2S1,QOKQYOHHJXPFMY-UHFFFAOYSA-N
-rxn:4:219120:226330,CC(c1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)s1)N1CCCC1,KHBDFLHSAYSVSM-UHFFFAOYSA-N
-rxn:4:219184:225222,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(N5CCCCC5C)ncc4F)cc2)OC3)CC1,PDRWYZJGFOYQBT-UHFFFAOYSA-N
-rxn:4:219187:224865,O=C1c2ccccc2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4ccc(CCN5CCCCC5)cc4)cc3)cs2)CC1,KRNYUQIXSXVUHQ-UHFFFAOYSA-N
-rxn:4:219244:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ncnn2C2CN(C(=O)OC(C)(C)C)C2)cc1,LISSUJORMGJQNL-UHFFFAOYSA-N
-rxn:4:219338:224326,Cc1cc(-c2cnc(OC3CCN(C(=O)N(C)C)CC3)nc2)ccc1S(=O)(=O)N1CCCCC1,PJLHJDMDUNBARK-UHFFFAOYSA-N
-rxn:4:219381:222502,CSc1ncc(-c2ccc(CNC(=O)c3cc(F)ccc3F)cc2)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,PSLINBGXEXJNMD-UHFFFAOYSA-N
-rxn:4:219388:222693,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,QVTUYVLHBTYBEL-UHFFFAOYSA-N
-rxn:4:219411:222694,Cc1cc(C(=O)N2CCC(Oc3ccncc3-c3cccc(S(=O)(=O)NC4CCCCC4)c3)C2)nn1C,WKWXXDPGNIXNBF-UHFFFAOYSA-N
-rxn:4:219470:224010,COc1ccnc(N2CCN(Cc3cccc(-c4cc(S(=O)(=O)N5CCOCC5)ccc4OC)c3)CC2)n1,YAERRRMLHYEQFI-UHFFFAOYSA-N
-rxn:4:219479:223927,C[Si](C)(C)CCOCn1c(-c2ccc(Cl)c(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)c2)cc2cccnc21,KLWAECIZVQTQRA-UHFFFAOYSA-N
-rxn:4:219487:223959,CCN1CCN(C(=O)c2cc(-c3cnc(N4CCCN(C(=O)OC(C)(C)C)CC4)cn3)ccc2Cl)CC1,NOVQWJCSBPQYRC-UHFFFAOYSA-N
-rxn:4:219500:227496,CCN(C)c1cc(F)c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)cn1,YQODETZXZXMIFE-UHFFFAOYSA-N
-rxn:4:219501:227218,CSc1ncc(-c2ccccc2OCCCF)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,UBWJKSXOEWPYNY-UHFFFAOYSA-N
-rxn:4:219501:228695,CSc1ncc(-c2csc(CN(C)C)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,RYAQHFIXSJIITK-UHFFFAOYSA-N
-rxn:4:219531:222584,CSc1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,GNSQIJHKVZNKHZ-UHFFFAOYSA-N
-rxn:4:219534:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)cc2F)CC1,NBIDDBOJNFGJIG-UHFFFAOYSA-N
-rxn:4:219535:222950,CONS(=O)(=O)c1cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)ccc1OC,ZRELMRROABAYQR-UHFFFAOYSA-N
-rxn:4:219554:223570,CC(=O)N1N=C(c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)CC1c1cn(-c2ccccc2)nc1C,NEGOPNMTBPRITG-UHFFFAOYSA-N
-rxn:4:219630:224621,CCS(=O)(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccc(OCCN5CCSCC5)cc4)cc23)CC1,LXNZDSOLBCYWOO-UHFFFAOYSA-N
-rxn:4:219643:225739,CCCCOc1c(F)cc(-c2cccc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)c2)cc1F,DSVCEWCOJJAEEY-UHFFFAOYSA-N
-rxn:4:219653:222634,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)nc3s2)CC1,WBFXXNJNZBGCDA-UHFFFAOYSA-N
-rxn:4:219653:224178,CN1CCN(CCOc2cccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c2)CC1,XLYKEETXSLKAJB-UHFFFAOYSA-N
-rxn:4:219653:225215,CC1CCN(c2nccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c2Cl)CC1,IVVOLMYUHJDTGF-UHFFFAOYSA-N
-rxn:4:219654:222795,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4ccc(NC(=O)N5CCOCC5)cc4)cc23)CC1,WNGBZNBBEHMPIU-UHFFFAOYSA-N
-rxn:4:219654:225159,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)CC1,LWIVTAFEFGNMSH-UHFFFAOYSA-N
-rxn:4:219656:223698,CC(=O)Cn1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2C,CKDOGZUUMAZSPH-UHFFFAOYSA-N
-rxn:4:219689:225980,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cc(N5CCOCC5)ncc4F)n3c2)CC1,PZXWHLKTXMTNPN-UHFFFAOYSA-N
-rxn:4:219691:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnn2c(Cl)cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc12,VCADBZBUCNOGQX-UHFFFAOYSA-N
-rxn:4:219697:225382,O=C(Cc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1)N1Cc2cnc(N3CCOCC3)nc2C1,PDWHPPHBYZDSPO-UHFFFAOYSA-N
-rxn:4:219742:226831,CCCn1cc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)c2)c(C(F)(F)F)n1,ICOKIBZZCDBJIW-UHFFFAOYSA-N
-rxn:4:219794:223539,COc1ccc(-c2c(C#N)cnn2CC#N)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,YWEYGQYXUZQUQF-UHFFFAOYSA-N
-rxn:4:219856:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3ccc(C(=O)N4CCC(n5ccnn5)CC4)o3)cc2)C1,KAELHZXRMUGQFL-UHFFFAOYSA-N
-rxn:4:219893:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(c5nccn5C)CC4)o3)cc2)CC1,XLESKRBRBUTMBR-UHFFFAOYSA-N
-rxn:4:219905:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCN(C5CCC5)CC4)c(C#N)c3)cc2)CC1,WUQSZQKGFSZINJ-UHFFFAOYSA-N
-rxn:4:219907:222584,Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,LVSISNSYLDFKFI-UHFFFAOYSA-N
-rxn:4:219908:222584,CN1CCCN(c2oc(-c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)o3)nc2C#N)CC1,SWZRRGNDYHUSGO-UHFFFAOYSA-N
-rxn:4:219934:222684,O=C(C1CN(c2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CCO1)N1CCCC1,ILFSKYSDIJLGLH-UHFFFAOYSA-N
-rxn:4:219964:223502,Cc1cncnc1N1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)ccc2Cl)CC1,XLRNDDHFKCYUBF-UHFFFAOYSA-N
-rxn:4:220039:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)cc1,RVDBYSBSRSNFPK-UHFFFAOYSA-N
-rxn:4:220225:224931,CCN(CC)c1cc(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)cc(C2CC2)n1,PMZKZGSKCNFRHL-UHFFFAOYSA-N
-rxn:4:220429:224848,CC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)cc2)CC1,CHINHTXEMYYYNS-HPCXZVJPSA-N
-rxn:4:221109:222439,Cc1ccc(C2CC(c3ccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4C(F)(F)F)cc3)=NN2C(=O)CSc2nncn2C)cc1,GMLAQWNVKBOBIM-UHFFFAOYSA-N
-rxn:4:221113:228293,CN(C)CCn1cc(-c2ccccc2CC(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)cn1,FCZWLBPBAPKWRP-UHFFFAOYSA-N
-rxn:4:221121:223140,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccnc(C6CCCNC6)c5)ccc43)CC2)CC1,BKQFWOIESLVTTR-UHFFFAOYSA-N
-rxn:4:221128:225201,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(OC6CCCC6)c(F)c5F)cc4)nnn3c3ccccc23)C1,HGNWOJORADJZDL-UHFFFAOYSA-N
-rxn:4:221175:224707,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cnc5c(C(=O)OC)cc(Cl)cc5c4)cn3)C2)C(=O)C1=O,LNFJYNKFOXXHRE-UHFFFAOYSA-N
-rxn:4:221180:222634,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)nn1C,ASABNFSFNPWBSI-UHFFFAOYSA-N
-rxn:4:221193:226231,CCCCOc1ncc(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)cc1C,OHJUTPQLGFCWSP-UHFFFAOYSA-N
-rxn:4:221196:222634,Cc1c(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)cnn1-c1ccccc1,HLSOMIIXXRTBMB-UHFFFAOYSA-N
-rxn:4:221206:226619,Cc1nc(N2CCCC2)ncc1-c1ccc(CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1,HOEPDKJVEZIVFT-UHFFFAOYSA-N
-rxn:4:221250:225752,COC(=O)c1cnc(C(C)C)c(-c2ccc(C3=NN(C(=O)CN4CCCCC4)C(c4nc5ccccc5[nH]4)C3)cc2)c1,QVRGXKVVKQRPCW-UHFFFAOYSA-N
-rxn:4:221252:224853,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(C3CCC(C)(C)CC3)cc2)cc1,VWBJSKGUUYNWFQ-UHFFFAOYSA-N
-rxn:4:221389:223533,Cc1ncnc(N2CCCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)C2)c1C,CBXHEMHLMTVTFX-UHFFFAOYSA-N
-rxn:4:221424:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cccc(CN4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)c2Cl)CC1,GDOBLJQWVACGRY-UHFFFAOYSA-N
-rxn:4:221434:223953,COCCN1CCN(c2cc(F)cc(-c3ccccc3C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)CC1,PXFXOGYAGWYTEW-UHFFFAOYSA-N
-rxn:4:221438:227710,CC1CCCCN1c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(OS(C)(=O)=O)cc4)o3)CC2)nn1,UQLHKNFSORVFBF-UHFFFAOYSA-N
-rxn:4:221447:225287,Cc1cc(N2CCN(Cc3ccc(-c4cc(Cl)ncc4C(=O)OC(C)(C)C)cc3)CC2)nc(N2CCOCC2)n1,DNBKKIBMRCBZNM-UHFFFAOYSA-N
-rxn:4:221451:223895,CCN1CCN(CCOc2ccc(-c3ccccc3C(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)CC1,SIXLVMRFUCIGND-UHFFFAOYSA-N
-rxn:4:221456:222871,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCC(C)C)c(Cl)c4)cc3)CC2)n1,OYMSQJKHLHPRNT-UHFFFAOYSA-N
-rxn:4:221456:223295,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(NS(C)(=O)=O)c4)cc3)CC2)n1,FQEUJGXJCJMOLX-UHFFFAOYSA-N
-rxn:4:221492:222682,COc1ccc2nnc(C3CCN(C(=O)c4ccc(-c5cccc(OC)c5NC(=O)OC(C)(C)C)o4)CC3)n2n1,NGBZFWVPMAVFPY-UHFFFAOYSA-N
-rxn:4:221726:223060,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cc(Cl)nc(C4CCNCC4)c3)cn2)CC1,KFOYCWWYNJNSTJ-UHFFFAOYSA-N
-rxn:4:221836:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,DNHDDAZUFKWPGO-UHFFFAOYSA-N
-rxn:4:221939:223474,Cn1ncnc1CN1CCC(COc2ncc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)cn2)CC1,QELCTNHBARTUCC-UHFFFAOYSA-N
-rxn:4:221947:223945,O=C(c1ccc(-c2ccc(OCCCN3CCOCC3)c(F)c2)o1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1,CUFZFBGLOOFLHJ-UHFFFAOYSA-N
-rxn:4:221965:222654,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)c(C(=O)NC6CCCCC6)c5)cc4)CC3)nn2)CC1,ARKZFGAHCJWORP-UHFFFAOYSA-N
-rxn:4:221965:227702,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)OC)cnc5F)cc4)CC3)nn2)CC1,SETJESKUGAEQNJ-UHFFFAOYSA-N
-rxn:4:221965:228467,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(=O)OC)sc5F)cc4)CC3)nn2)CC1,BUPZTEQYYUAQCL-UHFFFAOYSA-N
-rxn:4:221965:228868,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)OC)s5)cc4)CC3)nn2)CC1,WYWQJZBRVZTVPG-UHFFFAOYSA-N
-rxn:4:221967:223520,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)c1=O,MAEJNEZYYZDURB-UHFFFAOYSA-N
-rxn:4:221980:223812,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)sc3n2)CC1,RCILDNIYGNAQMQ-UHFFFAOYSA-N
-rxn:4:221982:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)cc1,UEQHUTJNMCZMPV-UHFFFAOYSA-N
-rxn:4:222009:222950,CONS(=O)(=O)c1cc(-c2cnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)nc2)ccc1OC,YVVIKDZIIRYREZ-UHFFFAOYSA-N
-rxn:4:222062:223179,CONC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1F,FUDMVXOKNDLPRX-UHFFFAOYSA-N
-rxn:4:222089:225320,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(N6CCOCC6)c(F)c5F)cc4)no3)C2C(=O)N1c1ccc(F)cc1,GBSRCOQSTSZCEQ-UHFFFAOYSA-N
-rxn:4:222108:223044,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C(=O)NC(C)C)c(F)c6)cc5)no4)C3C2=O)cc1F,WQQVRVGFAMSXME-UHFFFAOYSA-N
-rxn:4:222108:225980,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(N7CCOCC7)ncc6F)cc5)no4)C3C2=O)cc1F,XEYZPNJBAWHYCZ-UHFFFAOYSA-N
-rxn:4:222112:223671,Cc1nc2ccc(OCC3CCN(c4ncc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)nn2c1C,YWEJCCWQGSTAFD-UHFFFAOYSA-N
-rxn:4:222137:222951,CC(=O)Nc1cc(C(F)(F)F)c(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCOCC6)c(=O)n(C)c5nc34)cc2)cn1,KILCJLYWPNCUAE-UHFFFAOYSA-N
-rxn:4:222159:224009,CCc1cc(N2CCN(c3ncc(-c4ccc(OC)c(S(=O)(=O)N5CCOCC5)c4)cn3)CC2)nc(C)n1,BCNDECDOFAQCEQ-UHFFFAOYSA-N
-rxn:4:222168:224885,CC1CCN(Cc2ccccc2-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)CC1,YISIQGDBEUOFFT-UHFFFAOYSA-N
-rxn:4:222192:224975,CCN1CCN(c2ccc(-c3cnc(N4CCN(c5nc(C6CC6)nc6c5CCC6)CC4)nc3)cc2)CC1,SSFMDOVHXSUPRQ-UHFFFAOYSA-N
-rxn:4:222229:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)c(F)c2s1,QQKJHOGNYDQEFZ-UHFFFAOYSA-N
-rxn:4:222252:222655,CSc1ncc(-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)c(N(C)C2CN(c3nccnc3C#N)C2)n1,AIBKZLVMDTUTQV-UHFFFAOYSA-N
-rxn:4:222290:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CC(Cn5nc(-n6nc(C)cc6C)ccc5=O)C4)nc3)c2)CC1,HERHSXJCAMUASI-UHFFFAOYSA-N
-rxn:4:222332:222389,c1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,KOYUAIQDYNSUJZ-UHFFFAOYSA-N
-rxn:4:222332:222715,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc(Cl)c1F,GCPQTVWEIFSDIY-UHFFFAOYSA-N
-rxn:4:222389:176126,O=C(Oc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1)C1=C(c2ccccc2)S(=O)(=O)CCO1,GGNKIAZDEZYERY-UHFFFAOYSA-N
-rxn:4:222442:178381,CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc(S(=O)(=O)NC3CCCC3)c3ccccc23)c(C(C)(C)C)c1,OVMAGMLFCDTFDL-UHFFFAOYSA-N
-rxn:4:222523:189390,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(=O)N2CC(F)(F)C2)c(C(F)(F)F)c1,JTJOYCWVWDMLCB-UHFFFAOYSA-N
-rxn:4:222523:194272,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc3c2CN(CC(F)(F)F)C3)c(C(F)(F)F)c1,BEBDNPBPLFCARY-UHFFFAOYSA-N
-rxn:4:222752:174528,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1ccc(NC(=O)OC(C)(C)C)cc1C,PZUCHIDPNDNXOK-UHFFFAOYSA-N
-rxn:4:222802:187671,Cc1ccc(-c2cc(CN3CCC(C(F)(F)F)CC3)cc(C(C)(C)C)c2)c(S(=O)(=O)NC(C)(C)C)c1,BYQLDNODHWYBSI-UHFFFAOYSA-N
-rxn:4:223071:193976,CCS(=O)(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1,FCCRHXKWCUVUQR-UHFFFAOYSA-N
-rxn:4:223071:204135,CCS(=O)(=O)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)cc1,PKXZKCBNGIJYCL-UHFFFAOYSA-N
-rxn:4:223080:184096,CC(C)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,RLAJKHZSKNOELC-UHFFFAOYSA-N
-rxn:4:223091:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cnc(NC(=O)OC(C)(C)C)s2)cn1,PMVQPEZPFPBWLO-UHFFFAOYSA-N
-rxn:4:223101:185163,CNS(=O)(=O)c1cc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)ccc1OC,QTUDGMISHFJFBX-UHFFFAOYSA-N
-rxn:4:223481:176477,CSc1cc(OC(F)F)cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c1,YKXAQMYSABSOGC-UHFFFAOYSA-N
-rxn:4:223670:206594,CN1CCN(Cc2cccc(-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1=O,VEPNIPLIJCCRCU-UHFFFAOYSA-N
-rxn:4:223671:209691,CN1CCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)C1=O,WILAUXJZRJLBNV-UHFFFAOYSA-N
-rxn:4:223940:174009,COC(=O)C(C(C)=O)C(=O)c1ccc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)cc1,KJEUTAVFYZZSRF-UHFFFAOYSA-N
-rxn:5:176590:223054:223064,CCOC(=O)c1c(-c2ccc(C(C)N3CCC(O)C3)s2)cccc1-c1ccc(C2CCNCC2)nc1F,FPGVDHREBIHMPJ-UHFFFAOYSA-N
-rxn:5:176593:223065:223054,CCOC(=O)c1cc(-c2ccc(C(C)N3CCC(O)C3)s2)ccc1-c1ccc(N2CCNCC2)cc1F,ILKMLVYJGXDEEL-UHFFFAOYSA-N
-rxn:5:176852:225926:222985,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(OC)c(-c2ccc(C3CCCNC3)nc2C)c1,AUNQHBYECLWYHC-UHFFFAOYSA-N
-rxn:5:176854:226047:226036,COC(=O)c1cc(OC)c(-c2cc(C(F)(F)F)cc(F)c2OC)c(-c2ccc(OC(F)(F)F)c(F)c2F)c1,BEDKIYOMRKYUDB-UHFFFAOYSA-N
-rxn:5:176858:225636:223065,COC(=O)c1cc(-c2ccnc(N3CCC(C)CC3)c2)c(OC)cc1-c1ccc(N2CCNCC2)cc1F,MWKYBPUSJBANHJ-UHFFFAOYSA-N
-rxn:5:176858:225636:225976,COC(=O)c1cc(-c2ccnc(N3CCC(C)CC3)c2)c(OC)cc1-c1ccnc(N2CCOCC2)c1F,JEUIXDCPYFVFBC-UHFFFAOYSA-N
-rxn:5:176858:225636:225982,COC(=O)c1cc(-c2ccnc(N3CCC(C)CC3)c2)c(OC)cc1-c1cnc(N2CCOCC2)cc1F,KTIAZMPRPOGTJB-UHFFFAOYSA-N
-rxn:5:176859:225976:223062,COC(=O)c1cc(OC)c(-c2ccnc(N3CCOCC3)c2F)cc1-c1cnc(C2CCNCC2)cc1F,BWKOMRVCNISLJO-UHFFFAOYSA-N
-rxn:5:176860:223064:223064,COC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(OC)c1-c1ccc(C2CCNCC2)nc1F,JVUNNNUCGHVWNQ-UHFFFAOYSA-N
-rxn:5:176860:223064:223065,COC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(OC)c1-c1ccc(N2CCNCC2)cc1F,NCHOGASEDAAQAY-UHFFFAOYSA-N
-rxn:5:176860:223064:225976,COC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(OC)c1-c1ccnc(N2CCOCC2)c1F,UCCCAYJPFLJTPX-UHFFFAOYSA-N
-rxn:5:176860:223064:225982,COC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(OC)c1-c1cnc(N2CCOCC2)cc1F,BKGPPEIZTJAKBM-UHFFFAOYSA-N
-rxn:5:176860:225631:223065,COC(=O)c1c(-c2ccc(N3CCN(C)CC3)cc2)ccc(OC)c1-c1ccc(N2CCNCC2)cc1F,CHGWMFWPZAVGDH-UHFFFAOYSA-N
-rxn:5:176860:225976:223062,COC(=O)c1c(-c2ccnc(N3CCOCC3)c2F)ccc(OC)c1-c1cnc(C2CCNCC2)cc1F,YMGFTTSVESVKMT-UHFFFAOYSA-N
-rxn:5:176860:226654:223065,COC(=O)c1c(-c2csc(N3CCC(C)CC3)n2)ccc(OC)c1-c1ccc(N2CCNCC2)cc1F,DECKVGHXTZROGK-UHFFFAOYSA-N
-rxn:5:176863:225589:223064,COC(=O)c1cc(-c2ccc(CN3CCSCC3)cc2)cc(OC)c1-c1ccc(C2CCNCC2)nc1F,TXXCIBGRFAEVFS-UHFFFAOYSA-N
-rxn:5:176863:225832:226762,COC(=O)c1cc(-c2c(C)nn(C3CCCCO3)c2C)cc(OC)c1-c1cc(SC)cc(C(F)(F)F)c1,NPZUOTZZHIQPAV-UHFFFAOYSA-N
-rxn:5:176871:222998:222960,COC(=O)c1cc(-c2cc(C)cc(C3CCNCC3)c2)c(OC)cc1-c1cc(F)cc(C2CCCNC2)c1,TXXKAJNXWCSBAN-UHFFFAOYSA-N
-rxn:5:176872:223064:223000,COC(=O)c1cc(OC)c(-c2ccc(C3CCNCC3)nc2F)c(-c2ccc(C3CCCNC3)c(F)c2)c1,ZGFRTOCBPXZDPB-UHFFFAOYSA-N
-rxn:5:176872:225804:223064,COC(=O)c1cc(OC)c(-c2ccc(C(=O)N3CCC3)c(F)c2)c(-c2ccc(C3CCNCC3)nc2F)c1,WLPVHFQNAONJLK-UHFFFAOYSA-N
-rxn:5:177184:223065:226654,CCOC(=O)c1c(-c2csc(N3CCC(C)CC3)n2)ccc(C)c1-c1ccc(N2CCNCC2)cc1F,CTVONNUYGSFHBQ-UHFFFAOYSA-N
-rxn:5:177189:223008:225654,CCOC(=O)c1c(-c2cc(C3CCNCC3)ccc2F)ccc(C)c1-c1ccc(N2CCCC(C)C2)nc1,JTOKFLOOJRWWGA-UHFFFAOYSA-N
-rxn:5:177190:225594:226032,CCS(=O)(=O)Cc1ccc(-c2cc(OC)cc(C(F)(F)F)c2F)c(-c2ccc(F)cc2CN2CCCC2)c1,CLBUCOSFYPSSDV-UHFFFAOYSA-N
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-rxn:5:177193:223064:226661,CCOC(=O)c1cc(C)c(-c2ccc(C3CCNCC3)nc2F)cc1-c1cc(N2CCN(C)CC2)cs1,JBTMNTSHQJQARQ-UHFFFAOYSA-N
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-rxn:5:177891:227626:227028,N#CC1(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnc(C4CCOC4)nc3)c2)CC1,USIAYUZUHKKKST-UHFFFAOYSA-N
-rxn:5:177891:227626:227657,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)s1)c1ccccc1-c1cnc(C2CCOC2)nc1,ZCYILFDIWUZQLH-UHFFFAOYSA-N
-rxn:5:177891:227656:227626,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOC2)nc1)c1ccccc1-c1cc(N2CCOCC2)cs1,QFRAODAMJZYEEE-UHFFFAOYSA-N
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-rxn:5:178295:222404:228918,COC(=O)C1(c2cc(-c3cnccc3C(F)F)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,LWFBJIGMPAEKSS-UHFFFAOYSA-N
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-rxn:5:178295:222981:227505,COC(=O)C1(c2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)ccc2-c2ccnc(NC3CCCCC3)c2)CCC(=O)CC1,AGXLAQALSWLADV-CAPFRKAQSA-N
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-rxn:5:178295:226926:228428,COC(=O)C1(c2cc(-c3cc(OC)cc(F)c3F)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,ACRQFLGHCLRGFH-UHFFFAOYSA-N
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-rxn:5:178295:227361:228435,COC(=O)C1(c2cc(-c3c(SC)ccc(F)c3F)ccc2-c2cc(OC)c(C)cc2OC)CCC(=O)CC1,AGZPLJYJUWGWGG-UHFFFAOYSA-N
-rxn:5:178295:227525:226914,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(CC(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,NUPONOSEGWMIGC-UHFFFAOYSA-N
-rxn:5:178295:227591:228261,COC(=O)C1(c2cc(-c3c(SC)ccc(F)c3C)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,IKKJIRZVVINKNI-UHFFFAOYSA-N
-rxn:5:178295:227724:227831,CCc1c(C)cc(-c2ccc(-c3cc(OC(F)F)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,OAPROPMJMCVWNB-UHFFFAOYSA-N
-rxn:5:178295:228277:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3c(OC)ccc(F)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,MWJXQIUIZWPNAZ-UHFFFAOYSA-N
-rxn:5:178295:228336:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cnc(OC)c(SC)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LVDOZTPIIOMSMG-UHFFFAOYSA-N
-rxn:5:178295:228443:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(F)c(SC)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,CWGBJPNPYXOWFG-UHFFFAOYSA-N
-rxn:5:178295:228801:226188,COC(=O)C1(c2cc(-c3cc(C)c([Si](C)(C)C)cc3C)ccc2-c2ccc(F)cc2SC)CCC(=O)CC1,IRRXKNVNTUNPLW-UHFFFAOYSA-N
-rxn:5:178313:225498:225407,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCCC3)ccc2F)c(-c2ccc(C3CCCCCC3)cc2)c1,IWOZBWQNWTUEAR-UHFFFAOYSA-N
-rxn:5:178313:225498:225453,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCCC3)ccc2F)c(-c2cccc(SC3CCCCC3)c2)c1,AYLGPNZRTBSLCH-UHFFFAOYSA-N
-rxn:5:178313:225499:227052,CC(C)(C)Sc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3CCCCC3)cc2F)cc1,ORVBPSBTGDAWGI-UHFFFAOYSA-N
-rxn:5:178313:226067:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3=CCCCC3)cc2)c(-c2cc(C3CCCCC3)ccc2F)c1,KYOVXPKFIPMARG-UHFFFAOYSA-N
-rxn:5:178313:226919:225671,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3CCCC3)c2)c(-c2cc(C3CCCCC3)ncc2F)c1,HIOMZYZYPFGJKD-UHFFFAOYSA-N
-rxn:5:178313:227066:225395,CC(C)(C)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cccc(C(=O)C3CC3)c2)cc(C2CC2)c1,LUCSVYISHCZDQK-UHFFFAOYSA-N
-rxn:5:178314:225672:227048,CC(C)C(=O)c1ccc(-c2ccc(-c3cc(F)nc(C4CCCCC4)c3)cc2O[Si](C)(C)C(C)(C)C)cc1,NAAJAEKVLKWCLI-UHFFFAOYSA-N
-rxn:5:178314:226067:226155,CC(=O)c1cc(-c2ccc(-c3ccc(C4=CCCCC4)cc3)cc2O[Si](C)(C)C(C)(C)C)cc(C2CC2)c1,RTSODFZRTBCPAC-UHFFFAOYSA-N
-rxn:5:178314:226150:226190,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCC3)c2)ccc1-c1ccc(C2CCCC2)cc1F,DOVOXSFQRAVJED-UHFFFAOYSA-N
-rxn:5:178314:227052:225394,CC(C)(C)Sc1ccc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(O[Si](C)(C)C(C)(C)C)c2)cc1,KDFQRENKYGQHKP-UHFFFAOYSA-N
-rxn:5:178315:225394:226907,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)cc(-c2cccc3c2CCC32CC2)c1,QIJNQGXXPRKDMS-UHFFFAOYSA-N
-rxn:5:178315:225453:223202,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3(O)CCC3)cc2)cc(-c2cccc(SC3CCCCC3)c2)c1,SSYLTMSQZJTUOZ-UHFFFAOYSA-N
-rxn:5:178315:225498:226922,Cc1cc(C2CC2)cc(C)c1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cc(C3CCCCC3)ccc2F)c1,CTAAOWGHFWBKQU-UHFFFAOYSA-N
-rxn:5:178315:226060:226191,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CC3)cc(C3CC3)c2)cc(-c2cc(C3CCCC3)ccc2F)c1,XKTDXHFNSZNWKF-UHFFFAOYSA-N
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-rxn:5:178467:228318:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cnccc3C(=O)OC)c2OC1,IIIRTVOHXIILAO-UHFFFAOYSA-N
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-rxn:5:181906:225514:226686,Cc1ccc(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,DYJNFLOCUZATNZ-UHFFFAOYSA-N
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-rxn:5:181908:225589:222985,Cc1cc(-c2ccc(CN3CCSCC3)cc2)c(-c2ccc(C3CCCNC3)nc2C)cc1C1OCCO1,CEYOAZDUWMWDRK-UHFFFAOYSA-N
-rxn:5:181908:225784:225684,Cc1cc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccc(C3CCOCC3)nc2C)cc1C1OCCO1,JRKXRJGGGCHRNV-UHFFFAOYSA-N
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-rxn:5:188394:225805:223065,CCOC(=O)c1cnc(-c2ccc(C(C)N3CCOCC3)s2)cc1-c1ccc(N2CCNCC2)cc1F,ZIOFRURVHGMLHL-UHFFFAOYSA-N
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-rxn:5:188787:223006:226663,O=[N+]([O-])c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc(N3CCSCC3)nc2)cc1OC1CC1,PWTDNORWWHBLJV-UHFFFAOYSA-N
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-rxn:5:188930:223147:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CNCCO3)cc2)cc1-c1cccnc1C1CCCNC1,QIQJEWLUNYNGQT-UHFFFAOYSA-N
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-rxn:5:188930:226382:225677,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1ccc(C2CCCCC2)nc1F,UXPWQTQCOFYKBT-UHFFFAOYSA-N
-rxn:5:188930:226382:226438,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1cnc(C2CCCC2)cc1F,PDIQPDAVUSEDHH-UHFFFAOYSA-N
-rxn:5:188930:226432:223064,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCCC3)nc2F)cc1-c1ccc(C2CCNCC2)nc1F,MRHMYMFGGYIBIS-UHFFFAOYSA-N
-rxn:5:188930:227381:225674,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)cc1-c1cnc(C2CCCCC2)cc1F,NAQSZBHMOAWSQZ-UHFFFAOYSA-N
-rxn:5:188930:227381:225802,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)cc1-c1ccc(OC2CCCC2)nc1F,HGXKORGMOMSQPI-UHFFFAOYSA-N
-rxn:5:188930:227491:225677,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(OC3CCC3)nc2)cc1-c1ccc(C2CCCCC2)nc1F,KGMHDYSJLKKCAJ-UHFFFAOYSA-N
-rxn:5:188931:223138:222988,COC(=O)c1cc(-c2ccnc(C3CCNCC3)c2)cc(S(N)(=O)=O)c1-c1cc(C)nc(C2CCNCC2)c1,PRJWCHUBAGOBFY-UHFFFAOYSA-N
-rxn:5:188931:225638:223063,COC(=O)c1cc(-c2ccc(N3CCC(C)CC3)nc2)cc(S(N)(=O)=O)c1-c1cc(F)nc(C2CCNCC2)c1,BRVYULWQLQHVFW-UHFFFAOYSA-N
-rxn:5:188931:226429:223064,COC(=O)c1cc(-c2ccc(N3CCCC(C)C3)s2)cc(S(N)(=O)=O)c1-c1ccc(C2CCNCC2)nc1F,CCXJXLPOSXHMMW-UHFFFAOYSA-N
-rxn:5:188932:225597:227381,COC(=O)c1cc(-c2ccc(OC3CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)c1,HWGFSJAQFCCDDA-UHFFFAOYSA-N
-rxn:5:188932:226323:226382,COC(=O)c1cc(-c2ccc(OC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)c1,JAYHQGZGPNLURJ-UHFFFAOYSA-N
-rxn:5:189082:225587:225800,CN(C)C(=O)Cc1ccc(-c2ccc(C(=O)N3CCSC3)cc2)c(-c2cccc(CN3CCOCC3)c2)c1,VWKXYGXQAZSAQX-UHFFFAOYSA-N
-rxn:5:189207:227403:228457,COC(=O)c1ncc(-c2ccc(-c3ccc(N4CCCCC4)s3)cc2C(=O)ON2C(=O)CCC2=O)cn1,VNEHJBVQJJZOIR-UHFFFAOYSA-N
-rxn:5:189207:227841:226875,Cc1cc(C)c(C)c(-c2ccc(-c3cc(F)c(OC(F)F)cc3F)c(C(=O)ON3C(=O)CCC3=O)c2)c1C,VVUMIHWKZITQLQ-UHFFFAOYSA-N
-rxn:5:189208:227403:228457,COC(=O)c1ncc(-c2cc(-c3ccc(N4CCCCC4)s3)ccc2C(=O)ON2C(=O)CCC2=O)cn1,PFRPWXFIQLPLIQ-UHFFFAOYSA-N
-rxn:5:189209:228706:223064,CN(C)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(C4CCNCC4)nc3F)c2)ccn1,FWPTUULODPFQQS-UHFFFAOYSA-N
-rxn:5:189211:228681:225435,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccnn2CC2CC2)c1-c1ccccc1CN1CCCCC1,SLUDVYIYISIXJE-UHFFFAOYSA-N
-rxn:5:189212:227408:227278,N#CC1(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cc(C4CCC4)ncc3F)cn2)CC1,PRWMTPMVEQNYAR-UHFFFAOYSA-N
-rxn:5:189320:226215:223063,CO/N=C1\CCc2cc(-c3cc(C(=O)OC(C)(C)C)cnc3-c3cc(F)nc(C4CCNCC4)c3)ccc21,VGDKMCZWEISCBL-KVQDIILNSA-N
-rxn:5:189323:226041:226051,CC(C)(C)OC(=O)c1cc(-c2c(OC(F)(F)F)ccc(F)c2F)ncc1-c1c([N+](=O)[O-])cccc1C(F)(F)F,AAJPLHVXNNMZGE-UHFFFAOYSA-N
-rxn:5:189662:222409:227803,COc1ccc(-c2cnc(-c3ccnn3S(=O)(=O)N(C)C)c(OCC3CCOCC3)c2)cc1S(N)(=O)=O,JELIYGCWZNDVHB-UHFFFAOYSA-N
-rxn:5:189664:227390:225600,O=C(Cc1ccc(-c2ccnn2C2CCCCC2)cc1-c1cccnc1OC1CCCCC1)N1CCCC1,GZYKTJKMAKZUED-UHFFFAOYSA-N
-rxn:5:189667:225674:223063,CC(C)(C)[S@](=O)/N=C/c1cc(-c2cc(F)nc(C3CCNCC3)c2)cc(-c2cnc(C3CCCCC3)cc2F)c1,TTYCIPADGWTNHE-XRYKWAGYSA-N
-rxn:5:189671:227495:223001,CCN(C)c1cc(-c2cccc(-c3cc(C4CCCNC4)ccc3F)c2/C=N/S(=O)C(C)(C)C)c(F)cn1,URELTGIKJZOBDM-MWBNBJEGSA-N
-rxn:5:189674:226048:227531,COC(=O)c1cc(F)cc(-c2ccc(/C=N/S(=O)C(C)(C)C)c(-c3c(F)ccc(F)c3OC(F)(F)F)c2)c1,ULRBIXUFJLRJEJ-IIHBXENTSA-N
-rxn:5:189718:227426:223113,CC1(C)C(=O)Nc2ccc(-c3cc([N+](=O)[O-])c(OC4CCOCC4)cc3-c3ccc(C4CCCO4)nc3)cc21,NYZPMLAWGVPBGL-UHFFFAOYSA-N
-rxn:5:189908:226028:227673,CC(F)(F)c1cccc(-c2ncc(-c3ccc(C(F)(F)F)c(C#N)c3F)cc2OCC2CCCCC2)c1F,GUTGZOWVMZVZHB-UHFFFAOYSA-N
-rxn:5:189908:227710:225810,COc1ccc(-c2ncc(-c3ccc(OS(C)(=O)=O)cc3)cc2OCC2CCCCC2)c(C2OCCO2)c1,FVYJJJHKOJKKHD-UHFFFAOYSA-N
-rxn:5:189910:226347:225833,Cc1cc(-c2ccc(-c3ccnc(N4CCCCC4)c3F)c(CCN3CCOCC3)c2)c(OC(C)C)cc1F,ZPNJPUNHSCSURG-UHFFFAOYSA-N
-rxn:5:190001:227045:225437,CC(C)(C)Sc1cccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cccc(CN3CCCCC3)c2)c1,RRSDOSGFCXKTCT-UHFFFAOYSA-N
-rxn:5:190001:227355:225594,CCOc1ccc(C)c(F)c1-c1cc(CC(=O)N2CCCCC2)ccc1-c1ccc(F)cc1CN1CCCC1,LFHNXWFRTSPPTL-UHFFFAOYSA-N
-rxn:5:190097:225603:225815,N#CC1(c2cccc(-c3ccc(-c4ccc(C5CC5)cc4C(F)(F)F)c(CCN4CCCCC4)c3)c2F)CCC1,IXQXROMTPIKZGR-UHFFFAOYSA-N
-rxn:5:190128:226027:226341,COc1cc(F)c(C(C)C)cc1-c1cc(C(=O)N2CCC(OC)CC2)ccc1-c1ccc(F)c(S(=O)(=O)N(C)C)c1,CPNXCIBYKRFWOG-UHFFFAOYSA-N
-rxn:5:190194:227067:225451,COc1ccc(-c2cccc(CN3CCC(OC)CC3)c2-c2ccc(SC3CCCCC3)cc2)c(C2CC2)c1,GVQRNKDOYPHYKK-UHFFFAOYSA-N
-rxn:5:190194:227935:225453,CCc1cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cccc(SC3CCCCC3)c2)ccc1OC,BWBSNDRAQMXKMX-UHFFFAOYSA-N
-rxn:5:190195:223113:225881,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(C3CCOCC3)nc2F)c1)C1CCOCC1,ALFFOTOCOKSVAW-UHFFFAOYSA-N
-rxn:5:190198:226366:223188,CNc1cc(C(F)(F)F)c(-c2cccc(-c3ccnc(N4CCCCC4)c3)c2CN(C)C2CCOCC2)cn1,PWRFEOOPUUHCLV-UHFFFAOYSA-N
-rxn:5:190200:225605:226395,Cc1cnc(OC2CCCC2)c(-c2cc(CN(C)C3CCOCC3)cc(-c3cncc(N4CCCCC4)c3)c2)c1,AHPHOIZDDMAXDP-UHFFFAOYSA-N
-rxn:5:190231:228145:227663,COc1ccc(C#N)c(-c2cc(C(=O)N3CCOC(C)C3)cc(-c3ccc(C)c(C(F)(F)F)c3)c2OC)c1,KBEHLCLQPKOOBF-UHFFFAOYSA-N
-rxn:5:190264:227052:227052,CC1CCN(C(=O)Cc2ccc(-c3ccc(SC(C)(C)C)cc3)c(-c3ccc(SC(C)(C)C)cc3)c2)CC1,PRYJHOPOSOHKDX-UHFFFAOYSA-N
-rxn:5:190265:225886:225601,CC1CCCN(C(=O)Cc2ccc(-c3ccc(C4(C#N)CCC4)cc3F)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)C1,YQSAJDMVWAZBAV-UHFFFAOYSA-N
-rxn:5:190265:227079:223285,CC(C)Cc1ccc(F)c(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccccc2NS(C)(=O)=O)c1,SZNGWSXMJYUDNL-UHFFFAOYSA-N
-rxn:5:190336:227376:227591,COc1cc(C(F)F)ccc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cncc(N3CCCC3)c2)c1OC,ALMMVOJECDRGNV-UHFFFAOYSA-N
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-rxn:5:190484:223146:223200,O=C(c1cccc(-c2cccc(C3CNCCO3)c2)c1)N1CCC(c2ccccc2-c2ccc(C3CCNC3)cc2)S(=O)(=O)CC1,YDVOZWQBDNFOBV-UHFFFAOYSA-N
-rxn:5:190484:225395:227807,CC(C)(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc5c4CCCC5)S(=O)(=O)CC3)c2)cc(C2CC2)c1,OYPRIDBGCRYRFP-UHFFFAOYSA-N
-rxn:5:190484:227052:227971,CC(C)(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C(C)(C)C)S(=O)(=O)CC3)c2)cc1,VGWFCWBNNNOLSR-UHFFFAOYSA-N
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-rxn:5:197876:226032:228142,CCCc1cc(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,DAPWMUDCQATVNM-UHFFFAOYSA-N
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-rxn:5:197876:226059:226589,CC(C)c1ccc(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,CDHKRCYZAZYWOO-UHFFFAOYSA-N
-rxn:5:197876:226061:228012,CC(C)c1cc(-c2cc3c(cc2-c2cccc(F)c2C2CC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,MRRZLHKRLGLQLN-UHFFFAOYSA-N
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-rxn:5:197876:226079:225435,CC(C)c1ccc2sc(-c3cc4c(cc3-c3ccccc3CN3CCCCC3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2c1,FSIVXHWCDBHIKT-UHFFFAOYSA-N
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-rxn:5:197876:226136:228344,Cc1cc(C#N)c(-c2cc3c(cc2-c2ccc(SC(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C1CC1,RUXXVVQBCBLUNN-UHFFFAOYSA-N
-rxn:5:197876:226149:228972,COc1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)cs2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(C)(C)C,XQZSVYSEOHUHJL-UHFFFAOYSA-N
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-rxn:5:197876:226191:223263,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BRZFDQZZLLWOHU-UHFFFAOYSA-N
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-rxn:5:197876:226325:226959,CC1(C)Cc2cc(-c3cc4c(cc3-c3ccc(C(C)(C)C#N)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2O1,NVJAWTMEMDWNEJ-UHFFFAOYSA-N
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-rxn:5:197876:226441:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(N4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YWYPJWPXKDJKOD-UHFFFAOYSA-N
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-rxn:5:197876:226449:228434,CC1(c2ccccc2-c2cc3c(cc2-c2ccc(C(F)F)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)OCCO1,CGVRFPGSACZUIU-UHFFFAOYSA-N
-rxn:5:197876:226450:227715,CC1(c2cccc(-c3cc4c(cc3-c3cc(F)cc(OC(F)F)c3)C(=O)N(C(C)(C)C)S4(=O)=O)c2)OCCO1,KWSDFPYDJORORK-UHFFFAOYSA-N
-rxn:5:197876:226582:226061,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C(=O)N(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,WPYMEXNRFHLLLI-UHFFFAOYSA-N
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-rxn:5:197876:226594:227944,CC(C)Oc1cc(F)c(-c2cc3c(cc2-c2cncc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,SMOZCAIMVQVPSJ-UHFFFAOYSA-N
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-rxn:4:175816:224485,COC(=O)c1cc(OC2CCCC2)cc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c1,HPTZJNBJKRXCIE-UHFFFAOYSA-N
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-rxn:4:175862:223790,CC[Si](CC)(CC)c1c(F)ccc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)c1F,XTTNNIUCJFPCCD-UHFFFAOYSA-N
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-rxn:4:178597:228517,CC#Cc1ccccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,GTPIYLYBFKKNGN-UHFFFAOYSA-N
-rxn:4:178628:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(OC(F)F)ccc3Cl)cc2[N+](=O)[O-])CC1,CCERCSADZQGNNG-UHFFFAOYSA-N
-rxn:4:178735:223497,CC(c1ccc(-c2ccc(C(=O)C(F)F)cc2Cl)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,VBGKQAXBGQGFNR-UHFFFAOYSA-N
-rxn:4:178769:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3C(=O)C(F)F)cc2)CC1,WZVXSCBXCUPWGA-UHFFFAOYSA-N
-rxn:4:178781:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(C(=O)C(F)(F)F)c(F)c3F)ccc2Cl)CC1,YGJLVFGZLOFEIB-UHFFFAOYSA-N
-rxn:4:179158:223497,CSc1cc(SC)cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)c1,FLNUHEWWLTZMIS-UHFFFAOYSA-N
-rxn:4:179435:223559,COC(=O)c1c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc(C)c1F,UFGVPTIKFCHFCA-UHFFFAOYSA-N
-rxn:4:179471:223528,COC(=O)c1ccc(C)c(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1F,JDOJHRKWXAAPAZ-UHFFFAOYSA-N
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-rxn:4:180447:224818,CC1(C)OC(=O)C(Cc2ccccc2-c2ccc(S(=O)(=O)N3CCSCC3)cc2)C(=O)O1,BAYSHXKXJMCPNS-UHFFFAOYSA-N
-rxn:4:180855:223841,Cc1cc(F)c(-c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1S(=O)(=O)N1CCN(C)CC1,DTFVWHMEQVUATQ-UHFFFAOYSA-N
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-rxn:4:181316:223492,Cc1cc(-c2cccc(C)c2C(F)F)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QQEFBLDUMNPJBX-UHFFFAOYSA-N
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-rxn:4:182371:222545,CC(C)c1cc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc2c1OC(C)(C)CC2,NQSJDRMSTVBZOB-UHFFFAOYSA-N
-rxn:4:182374:223866,CC(=O)c1cc2c(cc1-c1ccccc1CN1C(C)(C)CCCC1(C)C)C(C)(C)CCC2(C)C,KIZQVNNYZHCKOE-UHFFFAOYSA-N
-rxn:4:183272:228878,c1cc2c(cc1-c1cnn(C3COC3)c1)OCCOCCOCCOCCOCCO2,KBHOCZATDFQQTI-UHFFFAOYSA-N
-rxn:4:183273:226444,Cc1nc(C2CCCO2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,SYENBXWLOITDDP-UHFFFAOYSA-N
-rxn:4:183274:228805,CSc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1F,JTMPUSMQJNLKNY-UHFFFAOYSA-N
-rxn:4:183475:224324,CCOC(=O)COc1ccc(-c2ccc(F)c(C(=O)N3CCC(=O)CC3)c2)c(F)c1[N+](=O)[O-],SVFZMHRWYMXMLJ-UHFFFAOYSA-N
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-rxn:4:183769:225802,O=C(COc1ccc(OC(F)(F)F)cc1-c1ccc(OC2CCCC2)nc1F)N1CCCCC1,UXPDDXRZLOWREQ-UHFFFAOYSA-N
-rxn:4:183793:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CCN(C)C(=O)OC(C)(C)C)cc2F)cc1,UBUIWEJRSLREDY-UHFFFAOYSA-N
-rxn:4:183798:225900,COCCOc1cc(-c2cc([N+](=O)[O-])ccc2CN(C)C)ccc1C(=O)N1CCOCC1,VMCLICOKNLRPQN-UHFFFAOYSA-N
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-rxn:4:183860:222611,COC(=O)CN1CCC(COc2ccccc2-c2cc(S(=O)(=O)N3CCNCC3)ccc2OC)CC1,OCAGCVVKJDWCAD-UHFFFAOYSA-N
-rxn:4:183881:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2F)cc1,GVBZZUJORABJFB-UHFFFAOYSA-N
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-rxn:4:183894:226296,CC(C)OCc1cc(F)cc(-c2cccc(F)c2OCCCN2CCC(C(F)(F)F)CC2)c1,KDPHGGGTSPLEMP-UHFFFAOYSA-N
-rxn:4:183899:222899,CCCCNS(=O)(=O)c1ccc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C(C)C)cc1,HFYPGBSDTPQANJ-UHFFFAOYSA-N
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-rxn:4:183915:222481,Cc1ccc(C)c(NC(=O)c2cc(-c3cc(OC(F)(F)F)ccc3OCCN3CCC(C)CC3)ccc2F)c1,YNGQQFVQSREBMY-UHFFFAOYSA-N
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-rxn:4:185603:225051,Cc1c(C(=O)N(Cc2cccc(F)c2)C2CCS(=O)(=O)C2)oc2ccc(-c3cc(F)cc(N4CCCC(C)C4)c3)cc12,YSZRNDVWZHWKBF-UHFFFAOYSA-N
-rxn:4:185619:225051,Cc1ccc2c(C)c(C(=O)N(Cc3cccc(-c4cc(F)cc(N5CCCC(C)C5)c4)c3)C3CCS(=O)(=O)C3)oc2c1,XLVWCZIOHLAADX-UHFFFAOYSA-N
-rxn:4:185626:227166,CN1CCOc2cc(-c3cc(F)cc4c3C[C@](c3ccccc3)([C@@H]3CCCN3C(=O)OC(C)(C)C)O4)ccc21,NSEHRPWLRGQDEV-NYDCQLBNSA-N
-rxn:4:185648:224068,CC(C)(C)c1ccc(-c2cc(-c3ccc(S(=O)(=O)N(C(=O)C4CCCCC4)c4ccc5oc6c(c5c4)CCCC6)cc3)ccn2)cc1,BDLVWIBNXCNCGL-UHFFFAOYSA-N
-rxn:4:185850:223830,CCOC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(CC)CC3)c2)cc(C#N)c1F,AYAQDPQKZORPIP-UHFFFAOYSA-N
-rxn:4:186030:223659,COC(=O)Cc1cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)cc1[N+](=O)[O-],NCQXAHSSCYSKCR-UHFFFAOYSA-N
-rxn:4:186293:224834,CON(C)C(=O)c1cc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)cc(C(F)(F)F)c1,YOWYZRBEAVWSQA-UHFFFAOYSA-N
-rxn:4:186451:223533,CCN(CC)C(=O)c1c(Cl)cccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1F,CZORBPKITNOKLP-UHFFFAOYSA-N
-rxn:4:186456:223640,CCOC12C(=O)c3cc(F)cc(-c4cccc(F)c4C(=O)N(CC)CC)c3C(=O)C1C2(C)C,PDJPHQJDEAKOGF-UHFFFAOYSA-N
-rxn:4:186495:222396,O=C(Cc1ccc(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)cc1)ON1C(=O)CCC1=O,CRIVISATZWTXSW-UHFFFAOYSA-N
-rxn:4:186540:224891,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(N3CCCC3)ccc2C2CC2)cc(C(F)(F)F)c1,JGCYGWUBEYCIOY-UHFFFAOYSA-N
-rxn:4:186542:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1ccc(C(F)(F)F)c(C(=O)ON2C(=O)CCC2=O)c1,UILKFDPBSUOLJC-UHFFFAOYSA-N
-rxn:4:186545:226484,COCCOc1cc(Cl)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)c(F)cc1C(F)(F)F,FQNSZFFSTSJHAU-UHFFFAOYSA-N
-rxn:4:186659:224247,COc1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccc(C(=O)N2CCC(C)CC2)cc1F,OWJAZCQEKCLOTL-UHFFFAOYSA-N
-rxn:4:186693:222538,COc1cc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)ccc1C(=O)N(C)C1CC1,VCFFQIJZHKBXCU-UHFFFAOYSA-N
-rxn:4:186747:222903,COCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2C(=O)N2CC(OC)C2)c(Cl)c1,MJRPUFVYWFSEJG-UHFFFAOYSA-N
-rxn:4:186751:224893,CC(C)(C)c1cc(-c2ccc(N(C(=O)C(F)(F)F)C3C=CS(=O)(=O)C3)cc2)cc(C(C)(C)C)n1,JRMNEFHJCFGQCH-UHFFFAOYSA-N
-rxn:4:186783:222615,COc1cc(S(=O)(=O)N(C)C)c(OC)cc1-c1cc(CC(C)C)cc(C2CCNCC2)c1,CZTLDNMCMHEMSX-UHFFFAOYSA-N
-rxn:4:186870:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)c(C(F)(F)F)c1,OINIKMUWRSSIPL-UHFFFAOYSA-N
-rxn:4:186879:224733,O=[N+]([O-])c1cc(OCC2CCOCC2)cc(-c2ccc(OC(F)F)c(OC3CCC3)c2)c1,SQNGYAKLSIQFAG-UHFFFAOYSA-N
-rxn:4:186919:223044,CC(C)NC(=O)c1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCC(F)(F)C2)cc1F,RSJVVRNGSFXMIK-UHFFFAOYSA-N
-rxn:4:186963:224336,COc1ccc(-c2ccc(N3CCCCC3)cc2C(F)(F)F)c(/C=N/S(=O)C(C)(C)C)c1,GMEKIQRHGSZFPD-LQKURTRISA-N
-rxn:4:187055:224176,O=[N+]([O-])c1cc(OCC2CCCCC2)cc(-c2ccc(OCCSC3CCOCC3)cc2)c1,AKJJCRGRIPYPJM-UHFFFAOYSA-N
-rxn:4:187085:225188,FC(F)(F)CN1CCC(Oc2ccc(-c3ccc(Cl)c(CN4CCOCC4)c3)cc2)CC1,INYNWQZMYHSNGD-UHFFFAOYSA-N
-rxn:4:187152:222681,CC(C)(C)OC(=O)NCc1cccc(-c2cc(F)ccc2CC(=O)N2CCC(C(F)(F)F)CC2)c1F,XKYZYNWBZWKQJY-UHFFFAOYSA-N
-rxn:4:187152:223127,O=C(Cc1ccc(F)cc1-c1ccc(CNC2CC2)cc1F)N1CCC(C(F)(F)F)CC1,HNRMTSDEENHHTE-UHFFFAOYSA-N
-rxn:4:187204:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)c(Cl)c2)cc1,SOAHCBALYQQTBT-UHFFFAOYSA-N
-rxn:4:187220:222886,CC(C)(C)OC(=O)N1CC(c2ccc(F)c(-c3ccc(N4CCNCC4)cc3C#N)c2)C1,FFQNYLHPOBMGED-UHFFFAOYSA-N
-rxn:4:187231:222606,CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2C(=O)NC(C)(C)C)cc1,SJPBFYOGDUCNGF-UHFFFAOYSA-N
-rxn:4:187243:224724,CCN(CC)S(=O)(=O)c1ccc(C)c(-c2ccc(F)cc2CCN2CCC(C(F)(F)F)CC2)c1,OYCRHRORDYWYHJ-UHFFFAOYSA-N
-rxn:4:187253:223582,COC(=O)c1ccc2cc(-c3cc(CCN4CCC(C(F)(F)F)CC4)ccc3F)n(C(=O)OC(C)(C)C)c2c1,YYTASFJKDUQQNQ-UHFFFAOYSA-N
-rxn:4:187253:225718,COC(COc1cccc(-c2cc(CCN3CCC(C(F)(F)F)CC3)ccc2F)c1)OC,TVESXXXDSWZRCH-UHFFFAOYSA-N
-rxn:4:187271:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2CN2CCC(C(F)(F)F)CC2)cc1,FDCBNTVDEBJYPL-UHFFFAOYSA-N
-rxn:4:187276:228761,COc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cnc1C,WSCWVKHYCQEAJN-UHFFFAOYSA-N
-rxn:4:187283:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCC(COC)CC4)cc3)c(F)c2)CC1,INGHGOZTMKQCJK-RZFKFIIISA-N
-rxn:4:187336:226844,COc1cc(-c2ccnc(C(=O)C(F)(F)F)c2)cc(OC)c1C(=O)N1CCCC(F)(F)C1,ILXJRAZWHJQSFE-UHFFFAOYSA-N
-rxn:4:187356:223539,COc1ccc(-c2ccc(OC3CCN(CC4CC4)CC3)cc2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,XXHUNQIHUSGKDU-UHFFFAOYSA-N
-rxn:4:187379:224587,CC1CCN(Cc2ccc(-c3ccccc3S(=O)(=O)CC(=O)N3CCC(C)CC3)cc2F)CC1,GJHLACFIRPYFSU-UHFFFAOYSA-N
-rxn:4:187383:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc(C2CC(=O)CN2C(=O)OC(C)(C)C)cc1,QWBBULVIOPRURJ-UHFFFAOYSA-N
-rxn:4:187413:224970,CC(C)(C)OC(=O)N1CCCC1c1cccc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)c1,MEAQZCVSLDEJJT-UHFFFAOYSA-N
-rxn:4:187414:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)cc1,FGUFYMRRUSLWEB-UHFFFAOYSA-N
-rxn:4:187430:222817,COC(=O)c1cc(CN2CCCC(C)C2)cc(-c2cc(S(=O)(=O)NC3CC3)ccc2OC)c1,ZVXCIJFKZDZQBV-UHFFFAOYSA-N
-rxn:4:187434:223891,COC(=O)c1ccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)c(CN2CCCCC2C)c1,YEQWWTXIZNMBRZ-UHFFFAOYSA-N
-rxn:4:187455:222585,O=C(c1ccc(CN2CCCC2)cc1)c1ccc(-c2ccccc2C(=O)NCCN2CCOCC2)c(F)c1,RFJBOAPXPJLYRC-UHFFFAOYSA-N
-rxn:4:187474:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,AVBGYCZJFYWYEK-UHFFFAOYSA-N
-rxn:4:187540:224411,CC(C)N(C)Cc1cc(-c2ccc(S(=O)(=O)N(C)C)cc2C(F)(F)F)cc(C(C)(C)C)c1,KTCAYTPPECHEPR-UHFFFAOYSA-N
-rxn:4:187548:222774,CCN(C(=O)c1cc(C)cc(-c2ccc(F)c(CN3CCC(O)CC3)c2)c1)C1CCCCC1,WLRYBUQKHUVQKG-UHFFFAOYSA-N
-rxn:4:187548:223641,CCc1cc2c(cc1F)cc(-c1cc(C)cc(C(=O)N(CC)C3CCCCC3)c1)n2C(=O)OC(C)(C)C,GNOYYOPEYVIVLZ-UHFFFAOYSA-N
-rxn:4:187552:225044,CCOc1ccc(-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)cc1S(=O)(=O)N1CC(C)OC(C)C1,QTOGUNRMJMKCOD-UHFFFAOYSA-N
-rxn:4:187561:224490,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cc(-c3ccccc3OCCN3CCCCC3)ccc2Cl)C1,BDBOEGGHQBUZJC-UHFFFAOYSA-N
-rxn:4:187561:225103,CCN(CC)C(=O)c1cc(Cl)cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1,PUOKTWASZWTXNC-UHFFFAOYSA-N
-rxn:4:187561:227704,COc1cnc(C(F)F)cc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,OLFQWRUVCKQNDB-UHFFFAOYSA-N
-rxn:4:187671:226538,CCOC(=O)c1cc(Cl)ccc1-c1cc(CN2CCC(C(F)(F)F)CC2)cc(C(C)(C)C)c1,QCAKDMHXAOEIIY-UHFFFAOYSA-N
-rxn:4:187677:224471,CCOC(=O)c1cccc2c(-c3ccc(C4CC45CCN(C(=O)OC(C)(C)C)CC5)cc3)cccc12,KZKKWHKBIJNWFJ-UHFFFAOYSA-N
-rxn:4:187685:224676,CN1CCN(C(=O)c2ccccc2-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2)CC1,PHNLXICKFFJZGM-UHFFFAOYSA-N
-rxn:4:187689:223814,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)cc1F,MWRCSPNKGDFNHE-UHFFFAOYSA-N
-rxn:4:187693:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)c(F)c3)c(F)c2)CC1,SHARGOWNKJJULG-DIVCQZSQSA-N
-rxn:4:187766:223507,CCOC(=O)Cc1c(C)[nH]c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc12,BUKUYLWKLIWAPA-UHFFFAOYSA-N
-rxn:4:187949:225284,COc1cc(N2Cc3cc(-c4cnc(C(F)(F)F)c(CC(C)C)c4)ccc3OCC2=O)cc(OC)c1OC,SUEPBNRXOIDEMY-UHFFFAOYSA-N
-rxn:4:187952:223492,COc1ccc(C2SCCN2C(=O)c2cc3cc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)ccc3oc2=O)cc1,VKGLHVBEUFRJJS-UHFFFAOYSA-N
-rxn:4:187962:225318,COc1ccc(CN2C(=O)c3c(F)cc(-c4c(F)cc(N5CCOCC5)cc4F)cc3C2(C)C)c(OC)c1,JSOBKTPDZWFQJR-UHFFFAOYSA-N
-rxn:4:187969:222619,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CNC(=O)C4CCCCC4)cc3)cccc21,XSFYRDODXAPXEZ-UHFFFAOYSA-N
-rxn:4:187971:224280,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc21,GCQVGPHUORWRCO-UHFFFAOYSA-N
-rxn:4:187975:223532,Cc1oc2cc(OC(=O)N3CCOCC3)ccc2c(=O)c1-c1ccc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,DRZNUNRLOCVJDI-UHFFFAOYSA-N
-rxn:4:187975:223772,COc1ccc2cc(-c3ccc(-c4c(C)oc5cc(OC(=O)N6CCOCC6)ccc5c4=O)cc3)n(C(=O)OC(C)(C)C)c2c1,CUSDJLNLUQAXQS-UHFFFAOYSA-N
-rxn:4:187984:224078,CC(C)(C)OC(=O)c1ccc2c(C3CCCCC3)c(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)[nH]c2c1,URKFABJTAGLJPE-UHFFFAOYSA-N
-rxn:4:187986:224613,COc1ccc(CN2C3CCC2(c2ccc(-c4cccc(N(C)C(=O)OC(C)(C)C)c4)cc2)CC(=O)C3)cc1,RDTUROQRMRMCJB-UHFFFAOYSA-N
-rxn:4:188027:223041,CC(C)(C)c1ccc(C2c3c(oc4ccc(-c5cc(C(=O)NC6CC6)ccc5F)cc4c3=O)C(=O)N2CC2CCCO2)cc1,FQOLTPAYSNZBJK-UHFFFAOYSA-N
-rxn:4:188184:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3c(F)ccc([N+](=O)[O-])c3OC(F)F)c2)CC1,URCQAOUUOHVMJX-UHFFFAOYSA-N
-rxn:4:188402:223574,CCOC(=O)c1cc(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1F,RQERLGMHIWEPCB-UHFFFAOYSA-N
-rxn:4:188545:223536,COC(=O)c1ccc(OC)nc1-c1cc(F)c(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1,OOTSQRQUKFIRIX-UHFFFAOYSA-N
-rxn:4:188939:223502,CCC(C)Oc1cccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)n1,GWCWSAXRXVKMFH-UHFFFAOYSA-N
-rxn:4:189052:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cccn2C(=O)OC(C)(C)C)CC1,KZMUXOGNIZHSCI-UHFFFAOYSA-N
-rxn:4:189604:224306,Cc1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)c1,JQAIVNXTIXUWJL-UHFFFAOYSA-N
-rxn:4:189677:223712,COc1ccc(-c2cnc(OCC3CCOCC3)c(F)c2)cc1C12CC3CC(CC(C3)C1)C2,JNHVAIMHJQMPPR-UHFFFAOYSA-N
-rxn:4:189796:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(CS(=O)(=O)N4CCCC4)cc3)cnc21,ILMQSNKGHLJCHJ-UHFFFAOYSA-N
-rxn:4:189828:222725,CCNS(=O)(=O)c1ccc(-c2ccc(Cl)c(CCN3CCC(F)(F)C3)c2)c(C(F)(F)F)c1,XTHOJSWFJJCPGG-UHFFFAOYSA-N
-rxn:4:189872:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3ccc(C(F)(F)F)cc3C(=O)N3CCSCC3)c2F)C1,DRDRCDSCHZVTHD-UHFFFAOYSA-N
-rxn:4:189926:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(CS(=O)(=O)N2CCOCC2)cc1,OPBQHEUWTUMNDG-UHFFFAOYSA-N
-rxn:4:190058:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cc(F)ccc3CC(=O)N3CCC(F)(F)CC3)cc2C1,JRFWADQHTMYUFS-UHFFFAOYSA-N
-rxn:4:190058:224687,O=C1CCN(Cc2cc(F)cc(-c3cc(F)ccc3CC(=O)N3CCC(F)(F)CC3)c2)CC1,FSSWANCUKZKBGX-UHFFFAOYSA-N
-rxn:4:190076:225299,Cc1cc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)cc2F)cc(C)c1S(=O)(=O)N(C)C,LTIAJMJZXNZOAW-UHFFFAOYSA-N
-rxn:4:190085:225784,O=C(c1c(-c2ccc(CN3CCOCC3)nc2)cccc1C(F)(F)F)N1CCC(F)(F)CC1,JNHULVVRTBRQAN-UHFFFAOYSA-N
-rxn:4:190089:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cn3)c2)CC1,YZLRNERWXOTZIS-UHFFFAOYSA-N
-rxn:4:190107:222695,Cc1ccc(-c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)NC1CCCC1,SPEJMTWVAYGAMR-UHFFFAOYSA-N
-rxn:4:190173:227697,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c(F)cc2F)cnc1Cl,VCMBBQKLNFVLIX-UHFFFAOYSA-N
-rxn:4:190216:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1,UDRZJBCUVISFSG-UHFFFAOYSA-N
-rxn:4:190236:224863,CCC(=O)C1CCCN(c2cccc(-c3ccccc3CN(C(C)C)C(C)C)c2F)C1=O,VGMVLQHHICJYBS-UHFFFAOYSA-N
-rxn:4:190238:225750,CCN(CC)c1cc(-c2cc(S(=O)(=O)N3CCC(OC)CC3)c(F)cc2F)cc(F)c1F,URKPAFQOOOXCKR-UHFFFAOYSA-N
-rxn:4:190320:224621,COc1ccc(-c2ccc(OCCN3CCSCC3)cc2)c(C(=O)N2CCCCC2C)c1,NIBRQTRQENIZPQ-UHFFFAOYSA-N
-rxn:4:190362:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCN(CC5CC5)CC4)cc3)cc2)CC1,PHSRADBHUZQVDE-UHFFFAOYSA-N
-rxn:4:190362:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C2CCN(CC3CC3)CC2)cc1,UCPUPDLWHVNNFQ-UHFFFAOYSA-N
-rxn:4:190362:224394,Cc1ccc(-c2ccc(C3CCN(CC4CC4)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,YABONSFSCCYLCA-UHFFFAOYSA-N
-rxn:4:190362:224396,Cc1cc(-c2ccc(C3CCN(CC4CC4)CC3)cc2)ccc1S(=O)(=O)N1CCOCC1,UQQSHWRBXNHJBX-UHFFFAOYSA-N
-rxn:4:190375:222943,COc1ccc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1S(=O)(=O)N1CCCC(C)C1,SLHOKVOJFJSCET-UHFFFAOYSA-N
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-rxn:4:190426:224491,CC(C)N(Cc1cc(-c2ccc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2)ccc1F)C(C)C,LHGCJZZWQMRDCU-UHFFFAOYSA-N
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-rxn:4:191045:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(CN5CCC(C(F)(F)F)CC5)c5ccccc45)c3C(=O)C1C2(C)C,VEWGJPNIUUNINA-UHFFFAOYSA-N
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-rxn:4:191089:222874,CC(C)(C)NC(=O)c1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)ccc1Cl,UCLSVPLHJNRRBM-UHFFFAOYSA-N
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-rxn:4:192048:223521,CC(c1cccc(-c2cncc(C(=O)C3CC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,JWMBAMKDLLXOSQ-UHFFFAOYSA-N
-rxn:4:192195:223541,COc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c(C)cc1[N+](=O)[O-],JWEQOAHXIZBASI-UHFFFAOYSA-N
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-rxn:4:193126:224127,CCN1CCN(C(C)c2ccc(-c3ccc(N4CCCC4=O)c(C(F)(F)F)c3)cc2)CC1,XKMMWEILSZGOAK-UHFFFAOYSA-N
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-rxn:4:193386:223970,Cc1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)c(F)c2)cc1S(=O)(=O)N1CCC(C)CC1,LBOHQZGNVKAUIJ-UHFFFAOYSA-N
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-rxn:4:193838:223928,Cc1cc(C)c(S(=O)(=O)N2CCCC2)cc1-c1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2,OYDHCWMMUAKFTE-UHFFFAOYSA-N
-rxn:4:193841:224404,CC1CCN(S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)CC1,DOWTXJOIUQHQPI-UHFFFAOYSA-N
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-rxn:4:193881:224817,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2S(=O)(=O)N2CCOCC2)CC1,TWWXEXWYZORQCS-UHFFFAOYSA-N
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-rxn:4:193881:224820,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1,JYNXRCNTAGTPSO-UHFFFAOYSA-N
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-rxn:4:194535:224009,COc1ccc(-c2ccc(C(=O)N3CC4CC4C3)c(C)c2)cc1S(=O)(=O)N1CCOCC1,POGNFUUMVLNKRW-UHFFFAOYSA-N
-rxn:4:194572:222742,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cc(C2CCNCC2)nc(C2CC2)c1,YZXDQXZRPIKSOV-UHFFFAOYSA-N
-rxn:4:194572:224582,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cccc(N2CCN(C3CC3)CC2)c1,ONHWYZKNQSCSFW-UHFFFAOYSA-N
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-rxn:4:194669:224835,C[C@@H]1c2ccc(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)cc2CN1C(=O)C(C)(C)C,HVQYWIHYCVTDCD-GFCCVEGCSA-N
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-rxn:4:194784:223926,O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc21,RETHAYWALOCNOH-UHFFFAOYSA-N
-rxn:4:194809:223840,COc1ccc(-c2ccc3c(c2)c2c(n3CC(F)(F)F)CCCC2)cc1S(=O)(=O)N1CCN(C)CC1,QPAFFGYXYDDFHD-UHFFFAOYSA-N
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-rxn:4:197910:224127,CCN1CCN(C(C)c2ccc(-c3ccc4c(c3)C(N3CCC(F)(F)C3)CC4)cc2)CC1,LCPCJOUKAMVZJQ-UHFFFAOYSA-N
-rxn:4:197961:225187,CC(C)N1C(=O)C2(OCCCO2)c2cc(-c3cc(Cl)ccc3CN3CCOCC3)ccc21,KSPUHPJTGTURCK-UHFFFAOYSA-N
-rxn:4:197962:223840,COc1ccc(-c2cc3c(cc2[N+](=O)[O-])C(C)(C)CCC3(C)C)cc1S(=O)(=O)N1CCN(C)CC1,YNAKAKUBYNQWGR-UHFFFAOYSA-N
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-rxn:4:202018:224780,CC(C)(C)OC(=O)c1nc(N2CCOCC2)ccc1-c1ccc(C2CCOC2)c(C(F)(F)F)c1,CSIYSHLOVZJWQH-UHFFFAOYSA-N
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-rxn:4:202715:223761,COc1ccccc1N1CCN(C(=O)c2cc3cc(-c4ccc(C5CCCN5C(=O)OC(C)(C)C)cc4)ccc3oc2=O)CC1,ZIRSGIWHQRIPHX-UHFFFAOYSA-N
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-rxn:4:203878:224414,CC1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)CC1,LSLSMPVHLJDCCE-UHFFFAOYSA-N
-rxn:4:203880:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(CC2CCCN(S(C)(=O)=O)C2)n1,WHCXIDHNDBCSDU-UHFFFAOYSA-N
-rxn:4:203880:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(CC2CCCN(S(C)(=O)=O)C2)n1,LKBFLXOBRVECCE-UHFFFAOYSA-N
-rxn:4:203880:224817,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccccc3S(=O)(=O)N3CCOCC3)n2)C1,SVEKKDKUECYZCP-UHFFFAOYSA-N
-rxn:4:203880:224820,CS(=O)(=O)N1CCCC(Cc2cccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)C1,ONBMGDKSVJEBFG-UHFFFAOYSA-N
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-rxn:4:203881:224817,CS(=O)(=O)N1CCC(Cc2cccc(-c3ccccc3S(=O)(=O)N3CCOCC3)n2)CC1,MIZKXXJQQIJUSI-UHFFFAOYSA-N
-rxn:4:203881:224818,CS(=O)(=O)N1CCC(Cc2cccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)n2)CC1,SUCCCRGZUZTGTF-UHFFFAOYSA-N
-rxn:4:203881:224819,CS(=O)(=O)N1CCC(Cc2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)CC1,UVDQLBGEFDQQLL-UHFFFAOYSA-N
-rxn:4:203881:224820,CS(=O)(=O)N1CCC(Cc2cccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)CC1,YKFWVMXMSKHPBE-UHFFFAOYSA-N
-rxn:4:203884:224760,CN1CCN(S(=O)(=O)Cc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1,IYXHRYHYVOCYGQ-UHFFFAOYSA-N
-rxn:4:203884:224761,CN1CCN(S(=O)(=O)Cc2ccc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2)CC1,WPIRYHDCLNTURO-UHFFFAOYSA-N
-rxn:4:203893:224817,CS(=O)(=O)N1CCCC(Cc2cncc(-c3ccccc3S(=O)(=O)N3CCOCC3)c2)C1,JQLSBQWGMJSETR-UHFFFAOYSA-N
-rxn:4:203893:224818,CS(=O)(=O)N1CCCC(Cc2cncc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)c2)C1,HVBUYJJWMXHTRB-UHFFFAOYSA-N
-rxn:4:203893:224819,CS(=O)(=O)N1CCCC(Cc2cncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)C1,DXGALGQIOJSNPZ-UHFFFAOYSA-N
-rxn:4:203893:224820,CS(=O)(=O)N1CCCC(Cc2cncc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2)C1,DTTIVGOYRYEFAX-UHFFFAOYSA-N
-rxn:4:203894:224760,CN1CCN(S(=O)(=O)Cc2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)CC1,INBLQWJSTDZZJH-UHFFFAOYSA-N
-rxn:4:203894:224761,CN1CCN(S(=O)(=O)Cc2cccc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)c2)CC1,AQKGMLMECUMIGT-UHFFFAOYSA-N
-rxn:4:203905:223895,CCN1CCN(CCOc2ccc(-c3cc(N4CCN(CC)CC4)cc(C(F)(F)F)c3)cc2)CC1,YXYZACUKZUAXQK-UHFFFAOYSA-N
-rxn:4:203954:224669,CN1CCN(Cc2ccc(-c3cnccc3OC3CCN(C4CCCC4)C3)c(F)c2)CC1,IBYSLFSZHMBMGA-UHFFFAOYSA-N
-rxn:4:204010:224818,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)n2)CC1,FHEZKFBDCGMLFI-UHFFFAOYSA-N
-rxn:4:204010:224819,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)CC1,IWRWOGOOJPRPLA-UHFFFAOYSA-N
-rxn:4:204016:224819,CS(=O)(=O)N1CCCC(Cc2cncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)CC1,IOKALXSEWDQZGK-UHFFFAOYSA-N
-rxn:4:204016:224820,CS(=O)(=O)N1CCCC(Cc2cncc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2)CC1,CBOOEAHFUFYYFV-UHFFFAOYSA-N
-rxn:4:204077:225997,CCOc1ncc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCOCC3)c2)cc1C(F)(F)F,BABBJWRRXLDFCA-UHFFFAOYSA-N
-rxn:4:204115:226493,COCCOc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)c(Cl)c1,VSSYYOHVJPVGDI-UHFFFAOYSA-N
-rxn:4:204131:224163,Cc1c(-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)ccc2c1cnn2C1CCCCO1,UJPZUCUBBZONFG-UHFFFAOYSA-N
-rxn:4:204132:225352,CC(=O)Oc1ccc(-c2ccc(CN3CCCCC3)c(N3CCOCC3)c2)cc1C(F)(F)F,DORVVQZALITCDF-UHFFFAOYSA-N
-rxn:4:204135:223176,CS(=O)(=O)NCc1cccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c1,OIQHBFNPLFYLME-UHFFFAOYSA-N
-rxn:4:204140:223489,CN1CCN(Cc2cc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc(C(C)(C)C)c2)CC1,QFVQQHHJPVMZLA-UHFFFAOYSA-N
-rxn:4:204171:226718,COc1nc(OC)c(-c2ccc(CN3CCCC(C)C3)c(N3CCCCC3)c2)cc1SC,FEQQEFDCLQENNW-UHFFFAOYSA-N
-rxn:4:204203:222447,COc1ccc2c(c1-c1ccn3cc(OS(=O)(=O)C(F)(F)F)nc3c1)N=C(NC(=O)OC(C)(C)C)C2,LAFIHRMVILBBPJ-UHFFFAOYSA-N
-rxn:4:204426:222539,CN(C)C(=O)CN1C(=O)C(=O)c2cc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)ccc21,XRBWSJIFMJISJH-UHFFFAOYSA-N
-rxn:4:204551:222843,COC(=O)C1C2CCC1CN(c1nc(-c3ccc(C)cc3C(=O)NC(C)(C)C)cs1)C2,HYGWPOSMMAXWPW-UHFFFAOYSA-N
-rxn:4:204598:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(n2)CCCN3C(=O)OC(C)(C)C)cc1,WXLUPNHGAMDLTK-UHFFFAOYSA-N
-rxn:4:204602:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc2c(c1)CCCN2C(=O)OC(C)(C)C,FUTMLWUDSIMTCE-UHFFFAOYSA-N
-rxn:4:204647:225898,CC(C)(C)OC(=O)N1CCOc2c(cncc2-c2cnn(CCN3CCOCC3)c2)C1,YBWZNLORXBLAQI-UHFFFAOYSA-N
-rxn:4:204658:223883,CCn1c(=NC(=O)C(C)(C)C)sc2cc(-c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)ccc21,IKWYQFYYLNUWNC-UHFFFAOYSA-N
-rxn:4:204694:224304,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)c1Cl,JJMVKVFGBMPGMH-UHFFFAOYSA-N
-rxn:4:204705:222709,CC(C)(C)NC(=O)c1cc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)c(Cl)c2)cc([N+](=O)[O-])c1,GPSVOXYHYBNAEZ-UHFFFAOYSA-N
-rxn:4:204710:224486,CC(C)N(C(=O)c1cccc(-c2cnn3c2OC[C@@H](O[Si](C)(C)C(C)(C)C)C3)c1)C(C)C,QXGDCQHBVXZFRB-NRFANRHFSA-N
-rxn:4:204739:224306,CCC(C)N1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4ccc(C(F)(F)F)cc4OC4CCCC4)cc32)SC1=S,AKDBCPBWUIAJIY-UHFFFAOYSA-N
-rxn:4:204744:222943,O=C(c1ccccc1-c1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,DSFIAWDYZMWWAU-UHFFFAOYSA-N
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-rxn:4:204804:225831,Cc1cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cnc1N1CCOCC1,XHLUINGHWHFSDY-UHFFFAOYSA-N
-rxn:4:204804:226102,CN(Cc1ccccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(N1C(=O)CCC1=O)C2)C1CC1,IFVCGGAAXIRKDL-UHFFFAOYSA-N
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-rxn:4:204919:224008,O=C(c1ccccc1)C1Oc2ccc(-c3cc(C(=O)N4CCOCC4)cc([N+](=O)[O-])c3)cc2C2CC(c3ccccc3)=NN12,YBBNLBCEEFKLPM-UHFFFAOYSA-N
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-rxn:4:209456:223480,Cc1cc(-c2cnc(C)n2C2CCCO2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LIQFVRZNMKSYFF-UHFFFAOYSA-N
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-rxn:4:209870:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCN(C)CC4)cc3Cl)c(F)cc2C)CC1,LWJBGOBSDLMZCR-UHFFFAOYSA-N
-rxn:4:210448:223497,Cc1nn(C(F)F)c2cc(-c3ccc(C(C)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)ccc12,YFWVNROJFSNVPM-UHFFFAOYSA-N
-rxn:4:210944:223539,COc1ccc(-c2ccc3c(c2)c(F)nn3C2CCCCO2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,ZTSKLEQJFSUHPY-UHFFFAOYSA-N
-rxn:4:211056:224283,CN1CCN(C2CCc3ccc(-c4cnc(OC(C)(C)C)nc4OC(C)(C)C)cc32)CC1,WOGAJXHGTWUSGL-UHFFFAOYSA-N
-rxn:4:211073:224592,N#CC1=C2CCCCN2c2cc(-c3cc(C4(C#N)CCCCC4)ccc3F)ccc2S1(=O)=O,MIRFOGLZASZAEJ-UHFFFAOYSA-N
-rxn:4:211101:225829,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCC(C)CC5)nc4)ccc2OC32CCC(C)CC2)cc1,IKOGXDFLKDLASZ-UHFFFAOYSA-N
-rxn:4:212539:223995,CCN(Cc1c(-c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cnn1C)C(=O)OC(C)(C)C,YUZHLEGVRALQIF-UHFFFAOYSA-N
-rxn:4:212568:225092,CCCCOc1cc(-c2ccc(C(=O)C(=Cc3ccco3)N3C=CC=CC3=C(C#N)C#N)cc2)cc(Cl)c1OC,BXSIGNHFIBLKPW-UHFFFAOYSA-N
-rxn:4:212569:222999,O=C(CSC1CCCC1)N1CC(Cn2cc(-c3cc(Cl)cc(C4CCCNC4)c3)cn2)C1,WWOKVHGLGRVQDC-UHFFFAOYSA-N
-rxn:4:212616:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2cncc(C(=O)OCC(=O)N3CCN(c4ccccc4F)CC3)c2)cc1C,WGJRVOSVSXGDFM-UHFFFAOYSA-N
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-rxn:4:212627:225192,N#Cc1ccnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cc(OC5CCCCC5)ncc4F)cc3)C2)c1,JNVSPLIXDDTLIL-UHFFFAOYSA-N
-rxn:4:212631:225560,O=C(c1cncc(-c2cccc(COC3CCOC3)c2)c1)N1CCC(COc2ncccc2C(F)(F)F)CC1,OOARWVBWNKITLR-UHFFFAOYSA-N
-rxn:4:212634:225570,COC(=O)c1ccc(C2CC2)c(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C2CCCC2)c1,XLAANDFRUIAAIA-UHFFFAOYSA-N
-rxn:4:212639:223187,CONS(=O)(=O)c1cccc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,SCECRULMVUODIK-UHFFFAOYSA-N
-rxn:4:212642:223076,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)o1)N1CCC(COc2ccc(C3CC3)nn2)CC1,VMWBTOXPNRZPQP-UHFFFAOYSA-N
-rxn:4:212643:225282,CCC(C)c1ncc(-c2cnc(OC3CCN(C(=O)Cc4ccc(OC)cc4)CC3)nc2)cc1C(F)(F)F,ZYUXWBNZHXOKEU-UHFFFAOYSA-N
-rxn:4:212644:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(OCC3CCCN(S(=O)(=O)Cc4ccc(F)cc4)C3)nc2)CC1,XPLZNSWYTGVLOF-UHFFFAOYSA-N
-rxn:4:212646:223873,CC1CCN(C(=O)CCc2ccccc2-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CCOCC2)CC1,BRIXEJKMJLYECZ-UHFFFAOYSA-N
-rxn:4:212650:227249,CCCOc1ccc(Cl)c(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)c1,LOXPLPXLGPLSMN-UHFFFAOYSA-N
-rxn:4:212650:227480,CCCOc1nccc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)c1Cl,DKOIMTFJZONYAG-UHFFFAOYSA-N
-rxn:4:212660:223508,COc1cccc(CN2CCC(COc3ncc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cn3)CC2)c1,HCMGSKWKLXRMPE-UHFFFAOYSA-N
-rxn:4:212661:223508,COc1ccc(CN2CCC(COc3ncc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cn3)CC2)cc1,FADTWKQFPBCURL-UHFFFAOYSA-N
-rxn:4:212662:223508,COc1ccc(CN2CCCC(COc3ncc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cn3)C2)cc1,PSKPWPWKRUDKQG-UHFFFAOYSA-N
-rxn:4:212666:222723,COc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)CC2)cc1,BNPPQVHKJMDKHY-UHFFFAOYSA-N
-rxn:4:212696:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)cc2)CC1,WFPLHYHVNLNMNL-UHFFFAOYSA-N
-rxn:4:212696:224329,O=C1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)cc3)cc2F)CC1,ZJUUJABVHKZFFB-UHFFFAOYSA-N
-rxn:4:212700:224647,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2ccc(-c3cnc(SCC(=O)N4CCN(c5ccc(F)cc5)CC4)o3)cc2)c1,BURPNYIEUIDADB-UHFFFAOYSA-N
-rxn:4:212700:224800,CC(C)Oc1cc(-c2ccc(-c3cnc(SCC(=O)N4CCN(c5ccc(F)cc5)CC4)o3)cc2)ccc1OC(F)(F)F,SJQSAKDZSHBJKS-UHFFFAOYSA-N
-rxn:4:212729:222887,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5cccc(C(=O)N6CCNCC6)c5)cc4)C3)n2)cc1OC,OYQGLMCSAOXLRC-UHFFFAOYSA-N
-rxn:4:212740:223952,CN1CCN(CCOc2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CC1,IQBYASCKGHXGLT-UHFFFAOYSA-N
-rxn:4:212746:228961,CC1CN(Cc2ccc(-c3cncc4ncnn34)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,DCVBFFILYJJMPR-UHFFFAOYSA-N
-rxn:4:212751:223598,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)CCN1C(=O)OC(C)(C)C,LIVHLZHTUXNZTK-UHFFFAOYSA-N
-rxn:4:212769:226983,CCCCOc1ccc(-c2c(C(=O)OCC)nc3n2CCN(C(=O)OC(C)(C)C)C3)cc1,HOSPARZRPZIBIZ-UHFFFAOYSA-N
-rxn:4:212771:224825,CON(C)C(=O)c1cc(-c2ccc3nc(N(CCN(C)C)C(=O)C4=COCCO4)sc3c2)cc([N+](=O)[O-])c1,YZJOKAKETCXLMW-UHFFFAOYSA-N
-rxn:4:212786:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1cccc(C(=O)N=c2sc3cc(S(N)(=O)=O)ccc3n2CCOC)c1,ZJVMNBHYVLVZHO-UHFFFAOYSA-N
-rxn:4:212799:224247,CC1CCN(C(=O)c2ccc(-c3ccc4nc(N(CCN(C)C)C(=O)C5CCCCC5)sc4c3)c(F)c2)CC1,MFWFTJPEJCMTTF-UHFFFAOYSA-N
-rxn:4:212901:222809,Cn1ncc(-c2cc(Cl)ncc2NC(=O)OC(C)(C)C)c1-c1cc(C(F)(F)F)cc(OC2CC2)c1C#N,GPNHOAFZWYIWIL-UHFFFAOYSA-N
-rxn:4:212923:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)ccc1F,JSDADCTYQQSCNM-UHFFFAOYSA-N
-rxn:4:212929:223992,Cc1ccc(-c2cccc(C(=O)N3CCN=C3SCc3cccnc3)c2)cc1S(=O)(=O)N1CCN(C)CC1,PUSFTHIUNXLLJB-UHFFFAOYSA-N
-rxn:4:212992:226853,COc1ccc(Cl)c(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)c1[N+](=O)[O-],LJNRYNMCKQZFOU-UHFFFAOYSA-N
-rxn:4:213005:222634,COc1cnc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)o3)CC2)nc1,XWVIUQFPPDFYOA-UHFFFAOYSA-N
-rxn:4:213011:222584,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,YJRJAILWVYWCJJ-UHFFFAOYSA-N
-rxn:4:213011:222655,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)NC4CCCCC4)c(Cl)c3)cn2)C1,QKGYPGWMYCLFPQ-UHFFFAOYSA-N
-rxn:4:213016:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(=O)N2CCC(CSc3nccn3C)CC2)o1,QIOZQVJBFVSQES-UHFFFAOYSA-N
-rxn:4:213040:223838,Cc1nc(-c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)cnc1OC1CCN(C(=O)OC(C)(C)C)C1,DJIALHGBLAHMIU-UHFFFAOYSA-N
-rxn:4:213053:224968,Cc1ccc(OCC2CCCO2)c(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1,QWLWCNQQYSTDPW-UHFFFAOYSA-N
-rxn:4:213078:228415,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3cc(F)ccc3C(F)F)c2C(F)F)CC1,BIMYIAXMYRHCIX-UHFFFAOYSA-N
-rxn:4:213104:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cccnc3OC3CCN(C(=O)CN4C(=O)CCC4=O)CC3)c2)CC1,QGJRQICIIXSICT-UHFFFAOYSA-N
-rxn:4:213116:222436,O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)c1,HNJXPMDKIKHMGI-UHFFFAOYSA-N
-rxn:4:213123:223812,O=C(Cc1ccccc1-c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,BSUZVIRMXGDVEL-UHFFFAOYSA-N
-rxn:4:213127:222705,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cc(C4CCNCC4)cc(C(F)(F)F)c3)ccn2)CC1,ZBDWYMOVKCNXMU-UHFFFAOYSA-N
-rxn:4:213127:224351,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)ccn2)CC1,CXWVUGJQYWEAGI-UHFFFAOYSA-N
-rxn:4:213127:225616,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3C(=O)N3CCCC3)ccn2)CC1,ZGZLOHMXJOBXJH-UHFFFAOYSA-N
-rxn:4:213131:222546,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,NRQHLBTYYVUIPU-UHFFFAOYSA-N
-rxn:4:213134:224171,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCCC4)c(F)c3)cn2)CC1,XBTPDCLPQMAUMS-UHFFFAOYSA-N
-rxn:4:213138:225174,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(F)cc3CN3CCOCC3)cnc2F)CC1,AQGPESJDICOKPH-UHFFFAOYSA-N
-rxn:4:213159:222902,COC(=O)CNC(=O)c1cccc(-c2ccccc2CC(=O)N2CCN(c3ccnc(OC)c3)C(=O)C2)c1,UZLMSNOZNQBTBD-UHFFFAOYSA-N
-rxn:4:213161:224828,CCOc1cc(OC(F)(F)F)cc(-c2cnc(OC3CCN(S(=O)(=O)c4cccc(OC)c4)CC3)nc2)c1F,KIKVSIUZSPEXIO-UHFFFAOYSA-N
-rxn:4:213165:226997,CCCOc1cc(C)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2OC)c1,YXUDXJAVEGQSNT-UHFFFAOYSA-N
-rxn:4:213202:225232,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cnc(Cl)c(N4CCC(C)CC4)c3)CC2)nn1,STTCGVUGOWXHIB-UHFFFAOYSA-N
-rxn:4:213215:222997,Clc1ccc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)c(C2CCCNC2)c1,MDEPCYPCAPUDCG-UHFFFAOYSA-N
-rxn:4:213224:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc(-c3c[nH]c([C@@H]4CCCN4C(=O)OC(C)(C)C)n3)c2)cc1,DRMIOYIZEDKCFA-VWLOTQADSA-N
-rxn:4:213229:227366,CC(C)Oc1cc(Cl)cc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1,BGUBZSKXRZMDLZ-UHFFFAOYSA-N
-rxn:4:213243:224069,CC(C)(C)c1cc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc(-c2ccccn2)c1,NSYSKSHHGWUNTD-UHFFFAOYSA-N
-rxn:4:213260:222980,O=S1(=O)CCC(CN2CCCC(COc3ncc(-c4ccc(CN5CCNCC5)cc4)cn3)C2)CC1,MKZYCMIUYNPOPB-UHFFFAOYSA-N
-rxn:4:213260:228156,COc1ccc(OC)c(-c2cnc(OCC3CCCN(CC4CCS(=O)(=O)CC4)C3)nc2)c1,JZECRSHXSSGOTD-UHFFFAOYSA-N
-rxn:4:213265:226526,COC(=O)c1ccc(OC)c(-c2ccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)o2)c1,TWHMSTRKAVUFQL-UHFFFAOYSA-N
-rxn:4:213281:226416,Cc1onc(-c2ccccc2)c1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,HDMXTBFPFNAWAG-UHFFFAOYSA-N
-rxn:4:213281:226418,Cc1nc(-c2ccccc2)sc1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,ILOSAWCDYHPITL-UHFFFAOYSA-N
-rxn:4:213282:226844,O=C(C1CC(=O)N(c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1)N1CCC(Oc2ccncc2)CC1,FNNCWVMKSACCGD-UHFFFAOYSA-N
-rxn:4:213290:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnc(OC4CCCN(C(=O)C5(c6ccccc6)CCOCC5)C4)nc3)c2)CC1,VADFDMYDKGFSHZ-UHFFFAOYSA-N
-rxn:4:213416:225523,CCOC(=O)CCc1cccc(-c2ccc(-n3c(SCC(=O)N4CCC(C)CC4)nc4c(c3=O)SCC4)cc2)c1,YUQKIJUECXGZRG-UHFFFAOYSA-N
-rxn:4:213480:222888,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CN5CCNCC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,PHNTTYBFDRKRBP-QPYSNBRXSA-N
-rxn:4:213480:223127,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CNC5CC5)cc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QYMCUIUDXXGXKK-CPPXEKLYSA-N
-rxn:4:213480:224318,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCN(C)CC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,IIRZQJNJGLNWHD-NXEFQXHYSA-N
-rxn:4:213480:224758,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCOCC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,GOGLLHVUJUJXGB-SIGULORKSA-N
-rxn:4:213480:225232,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(Cl)c(N5CCC(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JNHMXEAFSVALRD-PCBPTNJRSA-N
-rxn:4:213480:227469,COCC(C)(C)n1cc(-c2cncc(C(=O)OC[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@@]4(OC)C3)c2)cn1,SIWJIXDKYJUIQM-KEVCDPDLSA-N
-rxn:4:213481:222889,COC12CC(COC(=O)c3cncc(-c4cc(F)cc(CN5CCNCC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,KCLHMHPVKXWEOK-UHFFFAOYSA-N
-rxn:4:213481:223725,CCCCCc1ccc(-c2ccc(-c3cncc(C(=O)OCC4CN(C)C5Cc6cn(C)c7cccc(c67)C5(OC)C4)c3)c(F)c2)cc1,BZHIKQMOUFVEMR-UHFFFAOYSA-N
-rxn:4:213602:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCCN4CCCCC4)nc3)cc2Cl)CC1,UJJADWHVOLLDPW-UHFFFAOYSA-N
-rxn:4:213604:222615,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cc(CC(C)C)cc(C4CCNCC4)c3)cn2)C1,HIBKDVOXVCLAQP-UHFFFAOYSA-N
-rxn:4:213628:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2ccn(C3CN(C(=O)OC(C)(C)C)C3)n2)c1,FDKUQYKXWJFECK-UHFFFAOYSA-N
-rxn:4:213628:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccn(C4CN(C(=O)OC(C)(C)C)C4)n3)cnc21,SAHQKIFOTINAEB-UHFFFAOYSA-N
-rxn:4:213631:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1cnn(CC2CCCN(CC(F)F)C2)c1,ZFPCKJRXLCPNCK-UHFFFAOYSA-N
-rxn:4:213664:224325,CCC(=O)N1CCC(Oc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,SATMRSWZLQDBEL-UHFFFAOYSA-N
-rxn:4:213680:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1cc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])cc1F,CDOQTTHMTFAMJE-UHFFFAOYSA-N
-rxn:4:213684:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cnn(CC2CN(CC3CCCO3)C2)c1,KFQXCEOZZCOMFB-UHFFFAOYSA-N
-rxn:4:213687:222695,COCCN1CCN(c2ccc(-c3ccc(C)c(S(=O)(=O)NC4CCCC4)c3)cn2)CC1,GDVAUKCYTLSVQN-UHFFFAOYSA-N
-rxn:4:213689:222851,CCc1cc(-c2cnn(C)c2C(=O)N2CCCCC2C(=O)OC)cc(C2CCNCC2)n1,UXNJWUAAGAJSSY-UHFFFAOYSA-N
-rxn:4:213705:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cncc(C(=O)N4CCC(Oc5ccncc5Cl)C4)c3)c2C1,WRKWGVOMRURXNI-UHFFFAOYSA-N
-rxn:4:213730:223530,Cc1c(C(=O)N2CC(Cn3ccnc3)C2)cccc1-c1cc(F)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,UWGWXLKZERAPKT-UHFFFAOYSA-N
-rxn:4:213765:224171,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCCN4CCCC4)c(F)c3)n2)C1,XYMKOSHNZLKQMD-UHFFFAOYSA-N
-rxn:4:213765:225091,CCCCOc1c(OC)ccc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)C3)n2)c1F,DZEWYAUQZSFOJQ-UHFFFAOYSA-N
-rxn:4:213769:224101,CC1CCN(CCOc2cccc(-c3cnc(C4CCCN4C(=O)OC(C)(C)C)nc3)c2)CC1,SBHSDBIGSNHXEK-UHFFFAOYSA-N
-rxn:4:213778:224120,CCN1CCN(c2ccc(-c3ccc(CO[Si](C)(C)C(C)(C)C)c(C)c3)c(C(=O)OC)n2)CC1,BSWXHSINOUZCQU-UHFFFAOYSA-N
-rxn:4:213781:224171,Cc1csc(CN2CCN(C(=O)c3ccc(-c4ccc(OCCCN5CCCC5)c(F)c4)o3)CC2)n1,DDCYPVNRNVNMJP-UHFFFAOYSA-N
-rxn:4:213798:223787,CN1CCN(CCCOc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)cn3)cc2F)CC1,DXQDNBSINDOHFM-UHFFFAOYSA-N
-rxn:4:213805:223018,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cn2)C1,OUDQBAXAFQHUCY-UHFFFAOYSA-N
-rxn:4:213814:222604,COc1ccc(-c2cccnc2OC2CCN(C(=O)c3cccnc3C)C2)cc1S(=O)(=O)NC1CCCC1,MUYJTLDNNSJQGE-UHFFFAOYSA-N
-rxn:4:213846:225859,CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(-c3cnc(N4CCCCC4)c(Cl)c3)c2)CC1,VKFJWKMNKIQAHZ-UHFFFAOYSA-N
-rxn:4:213849:226231,CCCCOc1ncc(-c2cnc(OC3CCN(C(=O)C4CCCO4)CC3)nc2)cc1C,FIFVGCDCNTUZFS-UHFFFAOYSA-N
-rxn:4:213855:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(OC4CCN(Cc5ccc(F)cc5)CC4)nc3)cnc2C1,BDZBOXOGBNXLAF-UHFFFAOYSA-N
-rxn:4:213863:222624,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)cc(C2CCNCC2)n1,ISAWFTRXNHVPOY-UHFFFAOYSA-N
-rxn:4:213878:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cnn(C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1,BARCVRDIDIARTP-UHFFFAOYSA-N
-rxn:4:213881:224969,Cc1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)ccc1C(=O)OC(C)(C)C,FNEOKCFPNNHZBZ-UHFFFAOYSA-N
-rxn:4:213884:224619,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(OCCN4CCCC4)c(F)c3)n2)CC1,MRIXMLPLEYAJOF-UHFFFAOYSA-N
-rxn:4:213900:224171,CC(C)(C)OC(=O)N1CCCC(c2ncc(-c3ccc(OCCCN4CCCC4)c(F)c3)cn2)C1,MWIGRAKZYHGPNY-UHFFFAOYSA-N
-rxn:4:213910:226482,COCCOc1ncc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1C,FQPUNVZRUXDUJH-UHFFFAOYSA-N
-rxn:4:213910:228346,COC(=O)c1cc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c(C)s1,WIIJHIDMLOLKMH-UHFFFAOYSA-N
-rxn:4:213932:227738,Cc1cnc(C(F)(F)F)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C(F)(F)F)c1,XBSOZUSELKTNPM-UHFFFAOYSA-N
-rxn:4:213933:223892,CN1CCN(CCCOc2ccc(-c3cc(C(F)(F)F)cnc3N3CCCN(S(=O)(=O)C4CC4)CC3)cc2)CC1,YGXZIXQXZAHIFH-UHFFFAOYSA-N
-rxn:4:213971:226236,CCCCOc1ncc(C)cc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,BYHSDDLUEUMCAX-UHFFFAOYSA-N
-rxn:4:213971:228958,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2ccc(F)c(F)c2Cl)CCO1)N1CCOCC1,GGTNCSILDRUEBX-UHFFFAOYSA-N
-rxn:4:213978:222622,CCC(C)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C)CC3)n2)cc(C2CCCNC2)n1,VNVBPTSQBJWHDC-UHFFFAOYSA-N
-rxn:4:214010:222630,Cc1nn(C(=O)c2ccccc2-c2cc(C3CCC3)nc(C3CCNCC3)c2)c(C)c1S(=O)(=O)N1CCOCC1,INGMOVKXVKXAMU-UHFFFAOYSA-N
-rxn:4:214013:223671,COc1cc(N2CCN(C(=O)c3cccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3C)CC2=O)ccn1,FFWZCFWKJWKOFN-UHFFFAOYSA-N
-rxn:4:214022:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCCN(C(=O)c5ccc(C)c(C)c5)C4)nc3)c2)CC1,YQDCHVOKZCSZTR-UHFFFAOYSA-N
-rxn:4:214033:222593,Cc1cccc(NS(=O)(=O)c2ccc(-c3cc(C4=N[C@@H](C(C)C)CO4)nc(C4=N[C@@H](C(C)C)CO4)c3)cc2)c1,RYRXEIGNXLSZBZ-VSGBNLITSA-N
-rxn:4:214041:223786,CN1CCN(CCCOc2ccc(-c3ccc(-c4noc(C5CCN(S(=O)(=O)c6ccccc6)CC5)n4)cc3)cc2Cl)CC1,KHXVOILTNGHEAG-UHFFFAOYSA-N
-rxn:4:214051:225055,CC1CCCN(c2ccc(-c3nc(C(=O)N4CCN(C5CCS(=O)(=O)C5)CC4)c(C(C)C)s3)c(Cl)c2)C1,AEGZZOJJVNSWKJ-UHFFFAOYSA-N
-rxn:4:214066:222934,CCNC(=O)c1cc(-c2cccc(N3C(=O)CC(N4CCN(C(=O)c5ccccc5)CC4)C3=O)c2)cc([N+](=O)[O-])c1,ISZDVNMEXDFYNT-UHFFFAOYSA-N
-rxn:4:214219:223681,CC(C)(C)OC(=O)n1c(-c2cncc(C(=O)N3CCC(Oc4nc5ccc(F)cc5s4)CC3)c2)cc2cc([N+](=O)[O-])ccc21,WEDOXDUGEDHKPS-UHFFFAOYSA-N
-rxn:4:214229:223076,CC(C)(C)OC(=O)N1C2CCC1CC(n1cc(-c3cccc(S(=O)(=O)NC4CC4)c3)cn1)C2,FUCRMHWIHBBFTI-UHFFFAOYSA-N
-rxn:4:214253:224321,CCN1C(=O)C(=Cc2c(Oc3ccc(-c4cccc(S(=O)(=O)N5CCC(C)CC5)c4)cc3)nc3ccccn3c2=O)SC1=S,AWKPVLUSCFSGBI-UHFFFAOYSA-N
-rxn:4:214337:222435,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(-c3cccc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c3)c2)CC1,LHZDFADLVHFWKZ-UHFFFAOYSA-N
-rxn:4:214379:223024,CCCNC(=O)c1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)ccc1F,QZKCSOXQWXMLQQ-UHFFFAOYSA-N
-rxn:4:214423:223501,CC(C#N)Cn1cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cn1,NLKYZEPLCZXCPX-UHFFFAOYSA-N
-rxn:4:214630:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2c(C3CC3)n[nH]c2C(=O)N2CCOCC2)CC1,WLJOUYDGHSHUOM-UHFFFAOYSA-N
-rxn:4:214660:225518,CCCCCOc1ncc(C)cc1-c1cnn(C)c1C(=O)N1CCC(C(F)(F)F)CC1,FKZQVUIHDVCSLS-UHFFFAOYSA-N
-rxn:4:214705:224169,CS(=O)(=O)N1CCC(Cc2cnc(-c3cccc(OCCCN4CCOCC4)c3)cn2)CC1,QZUXXFMSZBFZAS-UHFFFAOYSA-N
-rxn:4:214706:224818,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)C1,NELOXRGFUYJNJC-UHFFFAOYSA-N
-rxn:4:214710:224718,CCN1CCN(S(=O)(=O)c2cncc(-c3ccc(OCCN4CCOCC4)nc3)c2)CC1,DHRFPKBZPYHJGJ-UHFFFAOYSA-N
-rxn:4:214804:224992,O=C1CCN(Cc2ccccc2-c2cnccc2N2CCOC(C(=O)N3CCCC3)C2)CC1,GIHQVNNYOTVJQY-UHFFFAOYSA-N
-rxn:4:214819:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)CC1,LIAQOLDFKQCWRX-UHFFFAOYSA-N
-rxn:4:214820:224654,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)ccc1F,YNZKLBSFDQJWOI-UHFFFAOYSA-N
-rxn:4:214830:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)ccn2)CC1,QUKAYFXBKXXZGL-UHFFFAOYSA-N
-rxn:4:214836:223195,CC(C)NCc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1,SBOMJFHTALCONJ-UHFFFAOYSA-N
-rxn:4:214836:226236,CCCCOc1ncc(C)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCSCC2)C1,LIDJMOMJQLXQHX-UHFFFAOYSA-N
-rxn:4:214837:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(Cl)c3)cc2F)CC1,KRJWSKLPJMEYCQ-UHFFFAOYSA-N
-rxn:4:214838:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)c2)CC1,DXLIYLNAWFZHBY-UHFFFAOYSA-N
-rxn:4:214868:225518,CCCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCCCC2)C1,UGPPVKMQPRMCFW-UHFFFAOYSA-N
-rxn:4:214873:227596,O=C(C1CCCN(c2ncc(-c3cnc(N4CCCC4)nc3)cc2F)C1)N1CCOCC1,NZCBOVDIFCJQFD-UHFFFAOYSA-N
-rxn:4:214875:226088,CCN(CC)Cc1ccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)cc1,AFWBEAMQGUZTGP-UHFFFAOYSA-N
-rxn:4:214881:225361,O=C(C1CCN(c2ncccc2-c2cn(C3CCCC3)nc2C(F)(F)F)CC1)N1CCC(F)(F)CC1,FSQSTXFIJXASOW-UHFFFAOYSA-N
-rxn:4:214889:225546,COc1cccc(OCC(C)C)c1-c1ccc(CN2CCN(C)CC2)c(N2CCCC2)c1,QVEVAKLKSHEUCQ-UHFFFAOYSA-N
-rxn:4:215101:223992,Cc1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1S(=O)(=O)N1CCN(C)CC1,OFANPQAHWACTLO-UHFFFAOYSA-N
-rxn:4:215103:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CCC3)c1,WPCRIWWUXDNNOF-UHFFFAOYSA-N
-rxn:4:215109:225125,Cn1nc2c(c1-c1cc(F)ccc1OCC1CCOC1)CN(C(=O)OC(C)(C)C)CC2,KKBZNARWAGPKFM-UHFFFAOYSA-N
-rxn:4:215131:223570,Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1-c1c(F)ncc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,LWBPRGJIFSIQBT-UHFFFAOYSA-N
-rxn:4:215148:223583,COC(=O)c1ccc2c(-c3ncc4n3CC(C)(C)N(C(=O)OC(C)(C)C)C4)cn(C(=O)OC(C)(C)C)c2c1,JCQOJWIBWGPPRM-UHFFFAOYSA-N
-rxn:4:215170:227240,CC(=O)OCc1ccc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)cc1,BZRFNSLPCZGKCI-UHFFFAOYSA-N
-rxn:4:215216:224775,O=C(C1CCCN(c2nc3ccc(-c4cnc(C(F)(F)F)c(C5CCCC5)c4)cc3s2)C1)N1CCOCC1,NQXZYQCSTPPYGH-UHFFFAOYSA-N
-rxn:4:215219:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4ccc(N5CCOC(C(=O)N6CCOCC6)C5)nc4c3)c2Cl)CC1,XBCHLBDIMDJRIW-UHFFFAOYSA-N
-rxn:4:215239:222398,Cc1cc(-c2ccc(N3OC4C(=O)N(C5CCCCC5)C(=O)C4C3c3cccnc3)cc2)ccc1NC(=O)NC1CC1,JDKQVJRAEHCKCA-UHFFFAOYSA-N
-rxn:4:215295:223578,CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CCn1c(-c3cnc(N4CCCCC4)nc3OCc3ccccc3)cnc12,VRRREOPJCYHOFA-UHFFFAOYSA-N
-rxn:4:215304:223737,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(c5ccccc5)N5CCCC5)cc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,RLZMYQIMQNHSQS-UHFFFAOYSA-N
-rxn:4:215748:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1csc(-c2cnc(C3CCC3)nc2)n1,SMTGPTRQNTZVLS-UHFFFAOYSA-N
-rxn:4:215889:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1,RSJAHTNFYJAVET-UHFFFAOYSA-N
-rxn:4:215907:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)nc1,ZERRYIMIDQXPEB-UHFFFAOYSA-N
-rxn:4:215908:223997,Cc1cc(-c2cncc(N3CCN(S(C)(=O)=O)CC3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,RNRSSEGWCPFSMN-UHFFFAOYSA-N
-rxn:4:215926:222466,c1c(-c2cc(N3CCCCC3)nc(C3CC3)n2)cc(C2CCNCC2)nc1C1CCCCC1,XWCYSGOCMXPKSP-UHFFFAOYSA-N
-rxn:4:215953:223743,Cc1ccc(-c2ccc(N3CCC(N(C)C)CC3)nc2)cc1OCCCN1CCC(C)CC1,FSXHRDMYKPKUHV-UHFFFAOYSA-N
-rxn:4:215961:224406,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1,AAGKNEKLAJZSBZ-UHFFFAOYSA-N
-rxn:4:215961:224818,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2ccc(S(=O)(=O)N3CCSCC3)cc2)CC1,CSYGCWJDIOCFON-UHFFFAOYSA-N
-rxn:4:216204:223838,COc1ccc2c(n1)c(-c1ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc1)nn2C1CCCCO1,AXVZSJNLKSDGIL-UHFFFAOYSA-N
-rxn:4:216262:223695,Cc1nn(-c2ccc(C#N)c(-c3cccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)c2)c2c1C(=O)CC(C)(C)C2,VUOWZWMPQDJCGR-UHFFFAOYSA-N
-rxn:4:216265:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc4nc(N5CCN(c6ccccc6)CC5)sc4c3)c2)CC1,LHPBRCRCMXMBHL-UHFFFAOYSA-N
-rxn:4:217832:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc3ncc(N4CCCC4)nc3c2)CC1,SOAWGUJNYXECHC-UHFFFAOYSA-N
-rxn:4:217832:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3ccc4ncc(N5CCCC5)nc4c3)c2)CC1,RNBPUNCNUQJEOF-UHFFFAOYSA-N
-rxn:4:218567:225920,Cc1ccc(OCC(F)(F)F)c(-c2cnc(N(C)CC3CN(C(=O)OC(C)(C)C)C3)cn2)c1,FCKPUAOMRINKBH-UHFFFAOYSA-N
-rxn:4:218587:222538,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cn3)CC2)cc1,CTWZGBASSWVLIS-UHFFFAOYSA-N
-rxn:4:218589:222538,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cn3)C2)cc1,DZDUVEUSNWEEEO-UHFFFAOYSA-N
-rxn:4:218589:224849,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCCC5)cc(C5CC5)c4)cn3)C2)cc1,UXJIGBDCVUVOCJ-UHFFFAOYSA-N
-rxn:4:218590:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccccc4C#N)C3)nc2)c1,AHOWCWTWYDJFJJ-UHFFFAOYSA-N
-rxn:4:218604:223508,COc1ccc(C(=O)N2CCC(COc3ncc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cn3)CC2)cn1,OXFDJJQBZIEJOP-UHFFFAOYSA-N
-rxn:4:218605:223508,COc1ncccc1C(=O)N1CCC(COc2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)CC1,UQTHNTVMHJLUDG-UHFFFAOYSA-N
-rxn:4:218606:223508,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,NXXFHHZDXFIGTI-UHFFFAOYSA-N
-rxn:4:218607:223508,COc1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cn3)C2)cn1,VNEPFYFOBFCUKH-UHFFFAOYSA-N
-rxn:4:218616:224998,Cn1cc(-c2cccc(C(=O)N3CCCCC3)c2)c(CN2CCN(C(=O)OCc3ccccc3)CC2)n1,XMXZHCARINPKRZ-UHFFFAOYSA-N
-rxn:4:218621:222730,CCCc1cc(-c2cnc(OC3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)C3)nc2)cc(C2CCNCC2)n1,UNYFANZFYYBMRH-UHFFFAOYSA-N
-rxn:4:218632:223926,O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(Oc2ccncc2-c2ccc(CN3CCC4(CC3)OCCO4)cc2)C1,VBZMETLDKIVCER-UHFFFAOYSA-N
-rxn:4:218656:222926,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3cnc(N4CCCC(O)C4)nc3C)cn2)C1,SCANAVXQMQQPGT-UHFFFAOYSA-N
-rxn:4:218675:226538,CCOC(=O)c1cc(Cl)ccc1-c1cncc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)c1,VCAQTFCITBZTIQ-UHFFFAOYSA-N
-rxn:4:218681:224579,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cc(-n5cnc(C)c5)ccc4C4CC4)cn3)CC2)CC1,UDEHXDMRAFJXEK-UHFFFAOYSA-N
-rxn:4:218695:227002,CCCOc1ccc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2C)c(C)c1,CLJKISZLHQYUMA-UHFFFAOYSA-N
-rxn:4:218711:226638,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cncc(-c4cncnc4)c3)CC2)CC1,XQFSZHMXUITQMJ-UHFFFAOYSA-N
-rxn:4:218745:224589,CC1CCN(Cc2cc(F)ccc2-c2cnc(OCC3CCCN(C(=O)Cn4c(=O)oc5ccccc54)C3)nc2)CC1,VMCJDYXHVFNWKB-UHFFFAOYSA-N
-rxn:4:218778:224739,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cnc(Cl)nc4OCc4ccccc4)cc(Cl)cc32)cc(C)c1F,LOVHYBSXQMJRSI-UHFFFAOYSA-N
-rxn:4:218867:223166,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCNCC4)nc3)c2)no1,NTWVBXGBNDEEFL-UHFFFAOYSA-N
-rxn:4:218867:225182,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(OC4CCCCC4)c3Cl)c2)no1,CJLJQVYJKXEIQA-UHFFFAOYSA-N
-rxn:4:218868:223138,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(C4CCNCC4)c3)cc2)no1,KGPLVOUOBADOFN-UHFFFAOYSA-N
-rxn:4:218868:223168,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccnc3N3CCNCC3)cc2)no1,VPWHQJXYDHIMLI-UHFFFAOYSA-N
-rxn:4:218868:226176,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccncc3C3CCCCC3)cc2)no1,NJLQKQAVERYRKA-UHFFFAOYSA-N
-rxn:4:218877:223220,O=C(CN1CCOC1=O)N1CCCC(Oc2ncc(-c3ccc(NCC4CC4)nc3)cn2)C1,WGDHOHLOXRXPMU-UHFFFAOYSA-N
-rxn:4:218883:224251,CC1CCCN(C(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cccnc5)C4)nc3)c(F)c2)C1,BLLBKVVVOIXMIL-UHFFFAOYSA-N
-rxn:4:218885:222772,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(Cl)c(C(=O)NC4CCCC4)c3)cn2)CC1,ZEVABAGWSDRUEK-UHFFFAOYSA-N
-rxn:4:218885:224589,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(F)cc3CN3CCC(C)CC3)cn2)CC1,UXKHSAQIPFLAPB-UHFFFAOYSA-N
-rxn:4:218902:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cccc(C(=O)N4CCN(CCn5cccn5)CC4)c3)c2)CC1,VUPZARDQEKHTLR-UHFFFAOYSA-N
-rxn:4:218943:223488,CN(c1cnc(-c2cc3cc(Oc4ccccc4)ccc3n2C(=O)OC(C)(C)C)cn1)C1CCN(C(=O)OC(C)(C)C)C1,PSAYIXMZKAEYMR-UHFFFAOYSA-N
-rxn:4:218944:227225,CC(C)CSc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cn1,MSPCGWRQDHTUOT-UHFFFAOYSA-N
-rxn:4:218965:224258,CC1CCCCN1C(=O)c1ccc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cnn2C)c(Cl)c1,AVYNWBVOUMTHLG-UHFFFAOYSA-N
-rxn:4:218970:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5c(C)noc5C)C4)nc3)c2)CC1,VMTCMICBTKFFOC-UHFFFAOYSA-N
-rxn:4:218993:223533,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)s1,NGDPPKWOOKTFTR-UHFFFAOYSA-N
-rxn:4:218993:224290,Cc1nc(C)c(CN2CCC(COc3ncc(-c4ccc(Cl)cc4OCCN4CCOCC4)cn3)CC2)s1,SOHVORNKPHCNFI-UHFFFAOYSA-N
-rxn:4:219002:223508,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cn3)C2)c1=O,ZJGOBPSUCHGYNH-UHFFFAOYSA-N
-rxn:4:219002:223812,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)c1=O,YKSULZXRIISNQC-UHFFFAOYSA-N
-rxn:4:219042:228270,COc1cc(Cl)c(C)cc1-c1cn(C)nc1CN1CCN(C(=O)OC(C)(C)C)CC1C,KSOAQPAQKWWHHS-UHFFFAOYSA-N
-rxn:4:219051:225571,COC(=O)c1ccc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c(C2CC2)c1,KFPIRZDKXMYZCW-UHFFFAOYSA-N
-rxn:4:219053:224619,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4ccc(OCCN5CCCC5)c(F)c4)c3)cn2)CC1,DUUVDUGWRAKVPT-UHFFFAOYSA-N
-rxn:4:219070:224065,CC1CCN(c2cc(-c3ccc(-c4cc(N5CCCN(C(=O)Cc6ccccc6)CC5)[nH]n4)cc3)cc(C3CC3)c2)CC1,CLWOSGPBIPUKCR-UHFFFAOYSA-N
-rxn:4:219072:227626,O=C(Cc1nnc(-c2cccc(-c3cnc(C4CCOC4)nc3)c2)o1)N1CCN(C2CCCCC2)CC1,CXKGORJQMFOCFY-UHFFFAOYSA-N
-rxn:4:219120:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,XAVDOEBQMSUSAW-UHFFFAOYSA-N
-rxn:4:219130:224668,CCN1CCN(c2cc(F)cc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c2)CC1,VOZOEWWYDVVFPI-UHFFFAOYSA-N
-rxn:4:219184:225977,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(Cl)cnc4N4CCOCC4)cc2)OC3)CC1,SRBJJKJKTNVOGQ-UHFFFAOYSA-N
-rxn:4:219207:226515,CCc1ncc(C(=O)OC)cc1-c1ccc(-c2csc(N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)n2)cc1,KCRNTFPLMVRGLV-UHFFFAOYSA-N
-rxn:4:219251:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3C(=O)N3CC(Cn4cncn4)C3)ccc2OC)CC1,UGUXXEGUARVNHN-UHFFFAOYSA-N
-rxn:4:219281:223574,Cn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,GXEXQERGUHHEDP-UHFFFAOYSA-N
-rxn:4:219314:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CC(Cn5ccnc5C)C4)c3)ccc2OC)CC1,BQJUHUIDCGIWOB-UHFFFAOYSA-N
-rxn:4:219336:223816,C[Si](C)(C)CCOCn1c(-c2cnn(CC3CN(C(=O)N4CCOCC4)C3)c2)cc2c(Cl)ccnc21,QFPXVKRJZZBHLR-UHFFFAOYSA-N
-rxn:4:219354:224969,Cc1cc(-c2cnc(N3CCC(N(C)S(=O)(=O)C4CC4)C3)nc2)ccc1C(=O)OC(C)(C)C,JEOFDMLTTIHIKZ-UHFFFAOYSA-N
-rxn:4:219405:225875,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(N4CCOCC4)cc3Cl)n2)CC1,FSZFEFVAGJTLBX-UHFFFAOYSA-N
-rxn:4:219405:225984,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,BSKGSUMAOMJWBC-UHFFFAOYSA-N
-rxn:4:219410:222592,Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)cc2)cc1,XTWJYLGKHMJBLW-UHFFFAOYSA-N
-rxn:4:219410:224356,CC(C)(C)OC(=O)n1c(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc2sc(Cl)cc21,FVVGQORRFDPZSD-UHFFFAOYSA-N
-rxn:4:219464:223533,Cc1cccnc1OCC1CCN(c2ncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)CC1,LHQXFHVXWRRBLT-UHFFFAOYSA-N
-rxn:4:219515:224488,CC(C)N(C(=O)c1ccc(-c2nnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)s2)cc1)C(C)C,KZTDEJAXJBTWAP-UHFFFAOYSA-N
-rxn:4:219517:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cnc(OCC2CCCN(C3CCN(C)C3=O)C2)nc1,DJVBNFJVNKYGQR-UHFFFAOYSA-N
-rxn:4:219520:222583,Cc1cc(N2CCN(CCc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)ncn1,QTDWQCHQNGXEBH-UHFFFAOYSA-N
-rxn:4:219523:224584,CC1CCN(C(=O)c2cccc(-c3ccccc3C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c2)CC1,AYCWHPRYCLJTRQ-UHFFFAOYSA-N
-rxn:4:219537:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1S(=O)(=O)NC1CCCC1,ZYZPVKANHFSYNO-UHFFFAOYSA-N
-rxn:4:219552:226231,CCCCOc1ncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)cc1C,DJGCPVMUDZBAQW-UHFFFAOYSA-N
-rxn:4:219560:226552,CCCOc1c(F)cc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1Cl,JAVHXYIZCPUWPJ-UHFFFAOYSA-N
-rxn:4:219619:222712,CON(C)C(=O)c1nn(C2CCCCO2)c2ncc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3F)cc12,YHLNKPFNXXOEGW-UHFFFAOYSA-N
-rxn:4:219689:222887,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cccc(C(=O)N5CCNCC5)c4)n3c2)CC1,XXAFPMFMRKXKCE-UHFFFAOYSA-N
-rxn:4:219692:224606,CCCOc1cc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)c3nc(Cl)ncc23)cc(Cl)c1OC(C)C,VAQDIGCUWLAEIO-UHFFFAOYSA-N
-rxn:4:219743:224668,CCN1CCN(c2cc(F)cc(-c3nc(C(=O)N4CCC(c5nc6ccccc6[nH]5)CC4)c(C(C)C)s3)c2)CC1,FPFPYZOLSKFWHH-UHFFFAOYSA-N
-rxn:4:219750:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(OC)cc3C(=O)N3CCCc4cnc(N5CCOCC5)nc43)c2)CC1,LWJLSADPGCNXEN-UHFFFAOYSA-N
-rxn:4:219750:224312,COc1ccc(-c2ccc(F)c(C(=O)N3CCN(C)CC3)c2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,MYVDDGQZXGHICL-UHFFFAOYSA-N
-rxn:4:219758:225947,CN1CCN(c2ncc(-c3ccccc3CC(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)cn2)CC1,PTMMRXQZYPCDFX-UHFFFAOYSA-N
-rxn:4:219857:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(C(=O)N4CCC(n5ccnn5)C4)c3)c2)CC1,KFOLVUICUWZHMS-UHFFFAOYSA-N
-rxn:4:219868:222539,CCN1CCN(c2c(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)cncc2[N+](=O)[O-])CC1,IPLWQQHCANZMGV-UHFFFAOYSA-N
-rxn:4:219904:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1,RNZLMJYSAFWTGS-UHFFFAOYSA-N
-rxn:4:219955:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)CC1,GFHBINZNOMHIDB-UHFFFAOYSA-N
-rxn:4:219955:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)cc1OCC,RCFRFZNUBLBSMD-UHFFFAOYSA-N
-rxn:4:219981:222678,CC(C)(C)OC(=O)NCc1ccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)nc2)cc1F,AUQVLVJMZVZSNJ-UHFFFAOYSA-N
-rxn:4:219981:224590,CC1CCN(Cc2ccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)nc3)c(F)c2)CC1,PDESGYSIELKFFV-UHFFFAOYSA-N
-rxn:4:219981:226298,O=C(C1CCCN(c2ncc(-c3ccc(F)cc3OCC3CC3)cn2)C1)N1CCSCC1,XRFZBECTLYQNTC-UHFFFAOYSA-N
-rxn:4:220036:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cnc3c(n2)c(C)nn3C(=O)OC(C)(C)C)c1,GAHZIXANZBOGNQ-UHFFFAOYSA-N
-rxn:4:220039:223582,COC(=O)c1ccc2cc(-c3nnc4n3CN(C(=O)OC(C)(C)C)CC4)n(C(=O)OC(C)(C)C)c2c1,JWIQVGAOHWGLEF-UHFFFAOYSA-N
-rxn:4:220040:223873,CC1CCN(C(=O)CCc2ccccc2-c2nc3n(n2)CCN(C(=O)OC(C)(C)C)C3)CC1,XRXSGDUQLJZMRP-UHFFFAOYSA-N
-rxn:4:220129:222393,O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2cnc(N3CC4C(=O)N(Cc5ccccc5)C(=O)C4C3)nc2)c1,CLMYYMUAPTUCGV-DCVMKPNVSA-N
-rxn:4:220134:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1ccnn1)C2,GSPQICYXERSRAT-UHFFFAOYSA-N
-rxn:4:220204:226477,CCCCOc1ncc(Cl)cc1-c1ccc2ncnc(N3CCOC(C(=O)N4CCOCC4)C3)c2c1,AOZUXTBEJZHNPO-UHFFFAOYSA-N
-rxn:4:220398:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c2)CC1,CBXWEMRLGHDSEQ-UHFFFAOYSA-N
-rxn:4:220429:222740,CC(C)c1cc(-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)cc(C2CCCNC2)n1,RTXJHWWWXLBKKI-UHFFFAOYSA-N
-rxn:4:220430:222389,c1nc(N2CCCN(C3CCSC3)CC2)ncc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,UOTONZWSLXDPEA-UHFFFAOYSA-N
-rxn:4:221100:222540,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)CC1,ANEIYDJBPLFVOX-UHFFFAOYSA-N
-rxn:4:221114:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc(OCC)c(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c1,ONPJFMNKXOWEIH-UHFFFAOYSA-N
-rxn:4:221121:225244,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(-c6cccc(F)c6F)c5)ccc43)CC2)CC1,WVTXCRAQDMMTAO-UHFFFAOYSA-N
-rxn:4:221152:224740,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N(C)C(C)(C)C)c3)cn2)C1,RHVCQBRLUHPOTR-UHFFFAOYSA-N
-rxn:4:221176:222948,Cc1nc(N2CCCC(COc3ncc(-c4cnc(N5CCC(O)CC5)nc4Cl)cn3)C2)cc(C(F)(F)F)n1,QZPOYHMYNZXIOG-UHFFFAOYSA-N
-rxn:4:221187:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OC4CCCN(C(=O)c5cccc(-n6cccn6)c5)C4)nc3)cc2Cl)CC1,IILGKKIZLZVNTL-UHFFFAOYSA-N
-rxn:4:221194:224375,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(C(=O)ON5C(=O)CCC5=O)cc4)cn3)CC2)cn1C,WQBUCJLQZIEDDI-UHFFFAOYSA-N
-rxn:4:221195:223951,CN1CCN(CCOc2ccc(-c3ccc(C(=O)N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)cc3)cc2F)CC1,MOXJZPNWZRIHRR-UHFFFAOYSA-N
-rxn:4:221195:224394,Cc1ccc(-c2ccc(C(=O)N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)cc2)cc1S(=O)(=O)N1CCOCC1,FXINZGIYKLRJQO-UHFFFAOYSA-N
-rxn:4:221203:226719,CCOC(=O)c1cnc(Cl)c(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)c1,WGBBEOZYYMUDHQ-UHFFFAOYSA-N
-rxn:4:221232:224759,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C1)CCOC2,UYUDFKWGVKWICE-UHFFFAOYSA-N
-rxn:4:221244:224022,O=C(Cc1ccccc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1,OBRVKXRBTLCFHH-UHFFFAOYSA-N
-rxn:4:221247:224767,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4cccc(C(=O)N5CCOCC5)c4F)cc3)nc2n(C)c1=O,FHRNAJNOZXFGCT-UHFFFAOYSA-N
-rxn:4:221373:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCCN(C(=O)c5c(C)n[nH]c5C)C4)nc3)c2)CC1,VNDLOYYLSNMEBX-UHFFFAOYSA-N
-rxn:4:221379:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(N(C)c5ncc(Cl)cn5)CC4)c3)cc2)CC1,LZFCLUBNFJOPNL-SOAUALDESA-N
-rxn:4:221415:222694,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cc3)CC2)n1,MEPUCHJGLCCMGC-UHFFFAOYSA-N
-rxn:4:221429:223026,CCCNC(=O)c1ccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc1F,NCGJVRUNLCXGBB-UHFFFAOYSA-N
-rxn:4:221439:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)c1,ZNUWFZLDJNHMPQ-UHFFFAOYSA-N
-rxn:4:221441:224756,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4cc(F)ccc4C(=O)N4CCOCC4)c3)CC2)n1,GJULYNUCCSXZDO-UHFFFAOYSA-N
-rxn:4:221442:222654,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccc(Cl)c(C(=O)NC4CCCCC4)c3)CC2)n1,UHXPIZLQYLRZKU-UHFFFAOYSA-N
-rxn:4:221446:223170,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4cnc(C5CCCNC5)nc4)cc3)CC2)n1,MEFPOYFYDLYYML-UHFFFAOYSA-N
-rxn:4:221449:224391,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C)cc3)CC2)n1,RNGQOTUIXHGMQV-UHFFFAOYSA-N
-rxn:4:221449:224817,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4S(=O)(=O)N4CCOCC4)cc3)CC2)n1,UMQWITYZWNEPPA-UHFFFAOYSA-N
-rxn:4:221456:223140,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,ITLCFAHLADVVHQ-UHFFFAOYSA-N
-rxn:4:221456:224396,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cc3)CC2)n1,KMOHCFGKWRWJER-UHFFFAOYSA-N
-rxn:4:221456:224818,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cc3)CC2)n1,VWLZSOSSOWHVED-UHFFFAOYSA-N
-rxn:4:221463:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc2nc(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)[nH]c2c1,FJEMUKWIRAXGDV-UHFFFAOYSA-N
-rxn:4:221492:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(c5nnc6ccc(OC)nn56)CC4)o3)c3ccccc23)CC1,XTADTVGVZUHUDL-UHFFFAOYSA-N
-rxn:4:221528:222634,CC(C)c1sc(-c2ccc(OCCNC3CCCC3)c(F)c2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,WUTZEUODMHAXTR-UHFFFAOYSA-N
-rxn:4:221538:224971,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(CN3CCN(C)CC3)cc2)cc1,ADXYZKXNNHLTLC-UHFFFAOYSA-N
-rxn:4:221539:222407,CCNC(=O)Nc1ccc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1,CBCGMOXHZXEZKQ-UHFFFAOYSA-N
-rxn:4:221539:223109,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C(C)NC4CC4)cc3)cc2)CC(C)O1,RXUSOJWQEUXSMB-UHFFFAOYSA-N
-rxn:4:221639:223753,Cc1ccc(=O)n(CC2CCN(c3ncc(-c4ccc(C)c(OCCCN5CCN(C)CC5)c4)cn3)CC2)n1,UNTKSNZUJYAEKN-UHFFFAOYSA-N
-rxn:4:221730:222522,COc1ccc(-c2cnc(N3CCC(Cn4c(C)nc5cc(F)ccc5c4=O)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,AYNDDAVEUOGMEK-UHFFFAOYSA-N
-rxn:4:221745:222707,CC(C)(C)OC(=O)NCc1nccc(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCCCCC3)c3sccc34)cc2)c1F,XTNBSGUXXHLBGY-UHFFFAOYSA-N
-rxn:4:221836:223952,CN1CCN(CCOc2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2Cl)CC1,VRHUBVCAEOXTOA-UHFFFAOYSA-N
-rxn:4:221919:224203,CCOc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2OC)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1,ZDVQVNBDDACZIK-UHFFFAOYSA-N
-rxn:4:221935:222716,N#Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CCCC4)c(F)c3)cn2)C1,NGMNNZONXUMOIQ-UHFFFAOYSA-N
-rxn:4:221965:228153,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)cc(OC)c5)cc4)CC3)nn2)CC1,URIJHTCWSHJHRH-UHFFFAOYSA-N
-rxn:4:221980:225170,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(F)ccc5CN5CCOCC5)c4)sc3n2)CC1,UCGCRPFGBJWPCN-UHFFFAOYSA-N
-rxn:4:221987:223502,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)ccc3OC)nnc12,ATMCWSROPPPRGP-UHFFFAOYSA-N
-rxn:4:222031:222584,CN(C)c1nccc(N2CCN(c3ncc(C(F)(F)F)cc3-c3ccc(OCCCN4CCNCC4)c(F)c3)CC2)n1,ZKOXTABACZNNSP-UHFFFAOYSA-N
-rxn:4:222071:223638,Cc1cc(OC2CN(C(=O)c3cncc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)c3)C2)n2ncnc2n1,AMIIGXRQJXUGDV-UHFFFAOYSA-N
-rxn:4:222083:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccccc7)C(=O)C65)n4)c3)cc2F)CC1,DHEYIXSWBPOZLQ-UHFFFAOYSA-N
-rxn:4:222083:224760,O=C1C2N=NN(Cc3nc(-c4cccc(-c5ccc(S(=O)(=O)N6CCCCC6)cc5)c4)no3)C2C(=O)N1c1ccccc1,OCXFSOXZDNEMOJ-UHFFFAOYSA-N
-rxn:4:222089:223958,CCN1CCN(C(=O)c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)cc2F)CC1,ISLIXUIKMFKROY-UHFFFAOYSA-N
-rxn:4:222108:226025,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(OC7CCOC7)nc6Cl)cc5)no4)C3C2=O)cc1F,FVQTYPUPLNRVIY-UHFFFAOYSA-N
-rxn:4:222123:223158,CCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)cc2)cc1F,NUBOAWDEXYMNTM-UHFFFAOYSA-N
-rxn:4:222156:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCN(c3ncnc(C4CC4)c3F)CC2)nc1,QVBCPPJICLQLKV-UHFFFAOYSA-N
-rxn:4:222168:222389,c1nc(C2CCOCC2)cc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)n1,CMYNASNXMBBGLA-UHFFFAOYSA-N
-rxn:4:222193:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)c2)CC1,LINFZXBBEIADJC-UHFFFAOYSA-N
-rxn:4:222200:223521,CC(c1cccc(-c2ccc(-c3nnc4n(Cc5ccccc5F)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,IAFZQZOGZJWJJK-UHFFFAOYSA-N
-rxn:4:222328:222426,Cc1cc(N2CCN(c3ncc(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)cn3)CC2)nc(N(C)C)n1,IPLXTQGHCGRRAJ-UHFFFAOYSA-N
-rxn:4:222331:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c(F)c2s1,QCOLYVJSPMJONA-UHFFFAOYSA-N
-rxn:4:222332:224022,c1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cn3)CC2)n1,UJYQWOJYHLQZHM-UHFFFAOYSA-N
-rxn:4:222337:225828,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cnc(N5CCCCCC5)nc4)cn3)CC2)n1,QGCRXMRUGDFWED-UHFFFAOYSA-N
-rxn:4:222338:222658,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4cc(F)cc(C(=O)NC5CCCCC5)c4)cn3)CC2)n1,DXSMQDPAOLGWFZ-UHFFFAOYSA-N
-rxn:4:222523:174670,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(OC(F)F)cc2OC(F)(F)F)c(C(F)(F)F)c1,YGOBBUOHMCPUKV-UHFFFAOYSA-N
-rxn:4:222523:176519,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(F)c(C(=O)C(F)(F)C(F)(F)F)c(F)c2)c(C(F)(F)F)c1,GVPINPULUUHVMK-UHFFFAOYSA-N
-rxn:4:222523:189992,CN(C(C)(C)C)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc1,YFURTMFVTDFYFR-UHFFFAOYSA-N
-rxn:4:222523:214121,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3c(ccn3CC(=O)OC(C)(C)C)n2)c(C(F)(F)F)c1,GFRZRBOWUJOBKL-UHFFFAOYSA-N
-rxn:4:222541:218824,CN(CC1CN(c2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,PDFIYIKTXBCRIR-UHFFFAOYSA-N
-rxn:4:222603:194531,COc1cc(-c2ccc3c(c2)CCN3S(=O)(=O)C(C)C)c(Cl)cc1NC(=O)OC(C)(C)C,AXUZQKUWMKEZLW-UHFFFAOYSA-N
-rxn:4:222613:185350,CCCNS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC(S(=O)(=O)CC(C)C)CC3)c2)c(C(F)(F)F)c1,RWVHPNUKHSCDDP-UHFFFAOYSA-N
-rxn:4:222613:204508,CCCNS(=O)(=O)c1ccc(-c2ccnc3c2CCN3C(=O)OC(C)(C)C)c(C(F)(F)F)c1,DYARIQROIBJPDC-UHFFFAOYSA-N
-rxn:4:222632:206797,CS(=O)(=O)N1CCOC(c2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)cn2)C1,DWTMUQXCGCGOCN-UHFFFAOYSA-N
-rxn:4:222633:206797,CS(=O)(=O)N1CCOC(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cn2)C1,LLNAXNRPDBUXGN-UHFFFAOYSA-N
-rxn:4:222723:204756,O=C(c1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1)N1CC(N2CC3CCCC3C2)C1,XAELHPNJKJRVOL-UHFFFAOYSA-N
-rxn:4:222781:174379,COC(=O)c1cc(-c2cnc(C)cc2NC(=O)OC(C)(C)C)c(C2CC2)cc1OC(C)C,IGFMHMCGJKRLNK-UHFFFAOYSA-N
-rxn:4:222810:185104,CC(C)CS(=O)(=O)C1CN(C(=O)c2cccc(-c3cc(NC(=O)OC(C)(C)C)ncc3Cl)c2)C1,BIHNRUNYEIYOSW-UHFFFAOYSA-N
-rxn:4:222820:175772,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc([Si](C)(C)C)c2OS(=O)(=O)C(F)(F)F)cc1F,HPQBQXQCTSTLCV-UHFFFAOYSA-N
-rxn:4:222820:185148,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)cc1F,MQGBXAPRFREQKQ-UHFFFAOYSA-N
-rxn:4:222820:185400,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CN3CC(O[Si](C)(C)C(C)(C)C)C3)cc2)cc1F,NMLXKTQMXKDLPL-UHFFFAOYSA-N
-rxn:4:222950:185032,CONS(=O)(=O)c1cc(-c2ccc(OCC3CN(C(=O)C4CCC4)C3)cc2)ccc1OC,DSGKBQHEDZWLHM-UHFFFAOYSA-N
-rxn:4:223093:183935,COc1cc(C(=O)N(C(C)C)C(C)C)c(-c2cncc(NS(=O)(=O)C(C)C)c2)cc1OC,LCYFGVBYPXMVFW-UHFFFAOYSA-N
-rxn:4:223101:183899,CNS(=O)(=O)c1cc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C(C)C)ccc1OC,DKDSSRPSEQWQAU-UHFFFAOYSA-N
-rxn:4:223101:187672,CNS(=O)(=O)c1cc(-c2cc(CN3CCCC(C(F)(F)F)C3)cc(C(C)(C)C)c2)ccc1OC,VEMVLJFFGWDGKO-UHFFFAOYSA-N
-rxn:4:223481:197088,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(C(F)F)sc4c3)c(F)c2)CC1,DWIDIDRXRXNALO-UHFFFAOYSA-N
-rxn:4:223481:197464,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc4c(=O)n(C(F)F)ccc34)c(F)c2)CC1,SBAFDASWSZLVKS-UHFFFAOYSA-N
-rxn:4:223570:184524,COC(=O)Cc1ccc(C#N)c(OC)c1-c1c(F)ncc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,QOPWJENHZIAIFF-UHFFFAOYSA-N
-rxn:4:223570:187346,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N(C(=O)c4ccccc4)C4C=CS(=O)(=O)C4)cc3)c(F)ncc21,CETBTMLQPGLIGM-UHFFFAOYSA-N
-rxn:4:223590:204345,CCOC(=O)c1cnc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)cnc2c1Cl,MVRUFSOMAGBTRV-UHFFFAOYSA-N
-rxn:4:223770:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cc3c(C#N)cccc3n2C(=O)OC(C)(C)C)cn1,HCERXKCPDGOONG-UHFFFAOYSA-N
-rxn:5:176859:225940:223056,COC(=O)c1cc(OC)c(-c2cc(C(F)(F)F)cnc2C2CC2)cc1-c1ccc(N2CCC(O)CC2)nc1,HYBIFSAKTFYZOD-UHFFFAOYSA-N
-rxn:5:176860:222987:223062,COC(=O)c1c(-c2ccc(C3CCNCC3)nc2C)ccc(OC)c1-c1cnc(C2CCNCC2)cc1F,CJIBSUVHGYVVIE-UHFFFAOYSA-N
-rxn:5:177189:222960:223062,CCOC(=O)c1c(-c2cc(C)cc(C3CCNCC3)c2)ccc(C)c1-c1cnc(C2CCNCC2)cc1F,CHZJZEFLWHSJFV-UHFFFAOYSA-N
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-rxn:5:177190:225805:226583,CCS(=O)(=O)Cc1ccc(-c2ccc(CN3CCOCC3)s2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,HSIDIBLSALHFQH-UHFFFAOYSA-N
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-rxn:5:177891:227491:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1cnc(OC2CCC2)nc1,XUONWHIDKGPTHT-UHFFFAOYSA-N
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-rxn:5:177891:228580:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1cccnc1C1CC1,XEJQLMPJZRQPDQ-UHFFFAOYSA-N
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-rxn:5:178119:226794:226658,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cnc(N3CCSCC3)nc2)c1-c1ccc(N2CCCC2)nc1F,NXPRCUVLIZVPTH-UHFFFAOYSA-N
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-rxn:5:178225:223148:227803,CN(C)S(=O)(=O)n1nccc1-c1c(OCC2CCCCC2)cccc1-c1ccccc1C1CNCCO1,DKRAOYVCUFWLTF-UHFFFAOYSA-N
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-rxn:5:178295:222405:228117,COC(=O)C1(c2cc(-c3cncc(OC(C)C)c3)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,IESJIKBAKSQVMW-UHFFFAOYSA-N
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-rxn:5:178295:223139:226144,COC(=O)C1(c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2-c2ccc(C3CCNCC3)nc2)CCC(=O)CC1,ZSMJZQXDNNSVKC-UHFFFAOYSA-N
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-rxn:5:178295:227120:227935,CCc1cc(-c2ccc(-c3ccc(C4CCC4)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,QQBOVUDGPABJPS-UHFFFAOYSA-N
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-rxn:5:178295:227819:227077,CCc1cc(CC)cc(-c2ccc(-c3ccc(C(C)CC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,XKKHGBSXWXWJLA-UHFFFAOYSA-N
-rxn:5:178295:228420:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2cc(F)c(SC)c(F)c2)CCC(=O)CC1,ZZWRIUNOGXIZDK-UHFFFAOYSA-N
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-rxn:5:178295:228908:226662,COC(=O)C1(c2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2-c2cc(OC)ncc2F)CCC(=O)CC1,QTUNVHUPAHGWPP-UHFFFAOYSA-N
-rxn:5:178295:229228:223063,COC(=O)C1(c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2-c2ccsc2C#N)CCC(=O)CC1,SIWQSFPAAKREJN-UHFFFAOYSA-N
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-rxn:5:178313:226150:226179,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCC3)c2)c(-c2cncc(C3CCCCC3)c2)c1,YHXCRNQFHWXFCS-UHFFFAOYSA-N
-rxn:5:178313:226842:226069,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cncc(C(=O)C(F)(F)F)c2)c(-c2cccc(C3CCCCC3)c2)c1,DNNMIMGULHECMD-UHFFFAOYSA-N
-rxn:5:178313:227100:225453,Cc1cc(C2CC2)cc(F)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1cccc(SC2CCCCC2)c1,UMGHFCFTZYPAAU-UHFFFAOYSA-N
-rxn:5:178313:227416:225499,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(F)nc(C3CCC3)c2)c(-c2ccc(C3CCCCC3)cc2F)c1,BZFVQHYQBFNLMX-UHFFFAOYSA-N
-rxn:5:178313:227589:225453,Cc1cc(OC(F)F)cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cccc(SC3CCCCC3)c2)c1,OWDIPNHZONOEGX-UHFFFAOYSA-N
-rxn:5:178314:226069:226432,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3CCCCC3)c2)ccc1-c1ccc(C2CCCC2)nc1F,FJAJYXIXQKFTRV-UHFFFAOYSA-N
-rxn:5:178314:226150:226069,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCC3)c2)ccc1-c1cccc(C2CCCCC2)c1,YQQOFRCLIBZZOW-UHFFFAOYSA-N
-rxn:5:178314:227113:225407,Cc1cc(F)c(C2CC2)cc1-c1ccc(-c2ccc(C3CCCCCC3)cc2)c(O[Si](C)(C)C(C)(C)C)c1,KEUBOUPDSOJZGN-UHFFFAOYSA-N
-rxn:5:178314:227770:225634,COc1ncc(-c2ccc(-c3cnc(N4CCCCC4)c(C)c3)c(O[Si](C)(C)C(C)(C)C)c2)cc1[N+](=O)[O-],ARRSWCLTFYFYRI-UHFFFAOYSA-N
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-rxn:5:178315:225498:226150,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCC3)c2)cc(-c2cc(C3CCCCC3)ccc2F)c1,WOZCUJWLENCVMA-UHFFFAOYSA-N
-rxn:5:178315:225498:227035,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C#N)cc(C3CC3)c2)cc(-c2cc(C3CCCCC3)ccc2F)c1,UKAPGLFWMJRFHR-UHFFFAOYSA-N
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-rxn:5:178467:225976:228712,CCOC(=O)C1=Cc2cc(-c3ccnn3C3CCC3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,YCNLOFCHNPLFQR-UHFFFAOYSA-N
-rxn:5:178467:225980:227387,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCC4)c3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,GSZGZSJNEHRSOF-UHFFFAOYSA-N
-rxn:5:178467:226320:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cc(C4(C#N)CC4)ccc3F)c2OC1,OAMCJWLAAZINKA-UHFFFAOYSA-N
-rxn:5:178467:227803:226729,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCOC4)nc3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,GNWYKHJYXVWZAY-UHFFFAOYSA-N
-rxn:5:178467:228097:225683,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCOC4)nc3C)cc(-c3cncc(CN(C)C)c3)c2OC1,GHFXEDUQHUKDBV-UHFFFAOYSA-N
-rxn:5:178467:228099:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cncc(N(C)CC)c3)c2OC1,WTENBIZULUJBHC-UHFFFAOYSA-N
-rxn:5:178467:228366:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3cnc(N(C)C)c(F)c3)c2OC1,NJJUGGWIPKWGRJ-UHFFFAOYSA-N
-rxn:5:178467:228454:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cc(OC)nnc3OC)c2OC1,JNVUZDZBCWRRTM-UHFFFAOYSA-N
-rxn:5:178467:228974:223056,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,QRVOVMFTLZUVCB-UHFFFAOYSA-N
-rxn:5:179396:225985:225805,CC(c1ccc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)ccc2C(=O)C2CC2)s1)N1CCOCC1,JITMADDHMJLYMT-UHFFFAOYSA-N
-rxn:5:179840:225986:225805,CC(c1ccc(-c2cc(O[C@@H]3CCOC3)ccc2-c2ccccc2N2CCCS2(=O)=O)s1)N1CCOCC1,FRCOKLSIBAEFEA-JFGZAKSSSA-N
-rxn:5:180022:222956:223010,COc1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(-c2ccc(C)cc2C2CCCNC2)c1C1OCCO1,PACSROIKNAIDHP-UHFFFAOYSA-N
-rxn:5:180092:225394:225499,C[Si](C)(C)C#Cc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)cc(-c2ccc(C3CCCCC3)cc2F)c1,VJUADGRYUAENEY-UHFFFAOYSA-N
-rxn:5:180267:225395:226027,CSc1cc(C(C)(C)C)cc(-c2cc(C3CC3)cc(C(C)(C)C)c2)c1-c1ccc(F)c(S(=O)(=O)N(C)C)c1,HMWGVJBZIZPTDC-UHFFFAOYSA-N
-rxn:5:180267:225811:225925,CSc1cc(C(C)(C)C)cc(-c2ccc(C3(C(F)(F)F)CC3)cc2)c1-c1cc(S(=O)(=O)N(C)C)ccc1C,FXKHPSUVJKZYNN-UHFFFAOYSA-N
-rxn:5:180267:225931:225395,CSc1cc(C(C)(C)C)cc(-c2cc(C)cc(S(=O)(=O)N(C)C)c2)c1-c1cc(C2CC2)cc(C(C)(C)C)c1,AGLCWLWLNJEIBQ-UHFFFAOYSA-N
-rxn:5:180402:226144:226062,CC(C)c1cc(-c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2C(=O)C2CCCCC2)cc(C(C)C)c1,FUDWTNKGQXXHHQ-UHFFFAOYSA-N
-rxn:5:180402:227019:225453,CC(C)(C#N)c1cccc(-c2ccc(C(=O)C3CCCCC3)c(-c3cccc(SC4CCCCC4)c3)c2)c1,GIFQTSXPZBLCIE-UHFFFAOYSA-N
-rxn:5:180506:225886:225819,CC(C)(C)c1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(-c2cc(C(F)(F)F)ccc2C2CC2)c(C2OCCO2)c1,ADONOCFBPUGQRB-UHFFFAOYSA-N
-rxn:5:180662:223061:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,FRWRQTCUXLDGKR-UHFFFAOYSA-N
-rxn:5:180662:223133:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccccc3N3CCNCC3)c2OC1,CLECEOAPUDIDJH-UHFFFAOYSA-N
-rxn:5:180662:225794:222409,COC(=O)C1=Cc2cc(-c3ccc(OC)c(S(N)(=O)=O)c3)cc(-c3cnc(OC4CCCCC4)nc3)c2OC1,GXDGJQKVOKWKBX-UHFFFAOYSA-N
-rxn:5:180662:225976:225849,COC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,GQBOWBIAJLIVGF-UHFFFAOYSA-N
-rxn:5:180662:225985:223281,COC(=O)C1=Cc2cc(-c3ccc(C4(O)COC4)nc3)cc(-c3cccc(N4CCCS4(=O)=O)c3)c2OC1,TVHKIXIOWOSWKZ-UHFFFAOYSA-N
-rxn:5:180662:226148:223138,COC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,GVIVBWJEDUNFSX-UHFFFAOYSA-N
-rxn:5:180662:226374:222409,COC(=O)C1=Cc2cc(-c3ccc(OC)c(S(N)(=O)=O)c3)cc(-c3cncnc3C3CCCCC3)c2OC1,MEZZCWWCBXDGSD-UHFFFAOYSA-N
-rxn:5:180662:227696:222960,COC(=O)C1=Cc2cc(-c3cc(C)cc(C4CCNCC4)c3)cc(-c3ccc(C(=O)OC)nc3F)c2OC1,GZHXKHPXGOLKNO-UHFFFAOYSA-N
-rxn:5:181904:225832:226588,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cc(OC2CCC2)ncc1F,PSKRFGIEACHADI-UHFFFAOYSA-N
-rxn:5:181907:226179:225607,Cc1cc(-c2cncc(C3CCCCC3)c2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,OQAWICBFVIXREL-UHFFFAOYSA-N
-rxn:5:181907:226182:225805,Cc1cc(-c2cccnc2C2CCCCC2)c(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1,YNYNVKBTTXOYQJ-UHFFFAOYSA-N
-rxn:5:181907:226186:225607,Cc1cc(-c2ccccc2C2CCOCC2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,PPTLVCRUKGETEE-UHFFFAOYSA-N
-rxn:5:181908:225784:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(CN3CCOCC3)nc2)cc(C2CCNCC2)c1,MIXRNZSSZODKGH-UHFFFAOYSA-N
-rxn:5:181908:226571:225407,Cc1cc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc(C3CCCCCC3)cc2)cc1C1OCCO1,GBXAXJJTWUFDSM-UHFFFAOYSA-N
-rxn:5:181908:226686:222998,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cc(F)cc(C3CCCNC3)c2)cc1C1OCCO1,HIPHZCZKSRCXOY-UHFFFAOYSA-N
-rxn:5:182010:222958:225683,Cc1ccc(-c2cc(-c3ccc(C4CCCOC4)nc3C)ccc2C2CCOCC2)cc1C1CCNCC1,WIJSFSSRCKPILL-UHFFFAOYSA-N
-rxn:5:182012:226183:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnccc2C2CCCCC2)cc1C1CCCOC1,GBWUJCUKGKEQAD-UHFFFAOYSA-N
-rxn:5:188412:223001:223054,CCOC(=O)c1c(-c2ccc(C(C)N3CCC(O)C3)s2)cncc1-c1cc(C2CCCNC2)ccc1F,IYQDCKDQXBZATD-UHFFFAOYSA-N
-rxn:5:188787:226679:223006,O=[N+]([O-])c1cc(-c2cnc(N3CCCC3)cc2F)c(-c2ccc(F)c(C3CCNCC3)c2)cc1OC1CC1,YRPUONOJKUCVMD-UHFFFAOYSA-N
-rxn:5:188867:225602:223007,CC(C)OC(=O)c1cc(-c2cc(F)cc(C3CCNCC3)c2)ncc1-c1cc(C2(C#N)CCC2)ccc1F,UMNCWYDHPAUGAV-UHFFFAOYSA-N
-rxn:5:188872:225631:223061,CON(C)C(=O)c1cc(-c2ccc(N3CCN(C)CC3)cc2)ccc1-c1cc(C2CCNCC2)ncc1F,OOUVAEQXVCEUMN-UHFFFAOYSA-N
-rxn:5:188874:225456:223063,CON(C)C(=O)c1ccc(-c2cc(F)nc(C3CCNCC3)c2)cc1-c1ccc(C2CCN(C)CC2)cc1,JTUYRYXQAVFPEG-UHFFFAOYSA-N
-rxn:5:188931:225603:225515,COC(=O)c1cc(-c2cccc(C3(C#N)CCC3)c2F)cc(S(N)(=O)=O)c1-c1cccc2c1OCC(C)(C)CO2,GZBNYYRPDTWLHV-UHFFFAOYSA-N
-rxn:5:188932:223242:223063,COC(=O)c1cc(-c2ccnc(C3CCNC3)c2)c(S(N)(=O)=O)c(-c2cc(F)nc(C3CCNCC3)c2)c1,HQRSANLSCWLXPT-UHFFFAOYSA-N
-rxn:5:189207:225602:223112,CC(C)c1ccc2[nH]ncc2c1-c1ccc(-c2cc(C3(C#N)CCC3)ccc2F)cc1C(=O)ON1C(=O)CCC1=O,BSSIPAULIYXFHE-UHFFFAOYSA-N
-rxn:5:189209:223112:225601,CC(C)c1ccc2[nH]ncc2c1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(C3(C#N)CCC3)cc2F)c1,CBCHNXJYRHHQMZ-UHFFFAOYSA-N
-rxn:5:189210:223192:227761,CNS(=O)(=O)c1cc(-c2cccc(-c3ccc(F)cc3C(F)(F)F)c2C(=O)ON2C(=O)CCC2=O)ccc1F,KWGYKQQZTOUVLT-UHFFFAOYSA-N
-rxn:5:189210:228317:225437,COC(=O)c1ccc(-c2cccc(-c3cccc(CN4CCCCC4)c3)c2C(=O)ON2C(=O)CCC2=O)cn1,YEPCHDQJRYYZOU-UHFFFAOYSA-N
-rxn:5:189210:228508:223064,CC(C)c1cccc(-c2cccc(-c3ccc(C4CCNCC4)nc3F)c2C(=O)ON2C(=O)CCC2=O)c1,QTCCUPLEVABTDP-UHFFFAOYSA-N
-rxn:5:189211:227996:223061,CC(=O)c1ccc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2cc(C3CCNCC3)ncc2F)c(C)c1,TUDVHMNWMAVVKL-UHFFFAOYSA-N
-rxn:5:189212:226061:228877,CC(C)c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccnn2C2CC2F)cc(C2CC2)c1,IOTKRTNMZZZJBB-UHFFFAOYSA-N
-rxn:5:189212:228518:223061,CC#Cc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(C3CCNCC3)ncc2F)cc1,NTCUDDMVLGFCFQ-UHFFFAOYSA-N
-rxn:5:189212:228877:226061,CC(C)c1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2ccnn2C2CC2F)cc(C2CC2)c1,YOIQZZPSIPTZIV-UHFFFAOYSA-N
-rxn:5:189667:226064:225499,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3CCCCC3)cc2)cc(-c2ccc(C3CCCCC3)cc2F)c1,VMSQLOVTGPEGKQ-HHHCKTAKSA-N
-rxn:5:189668:225632:227736,Cc1ncc(C(F)(F)F)cc1-c1ccc(CC(=O)N2CCCC2)c(-c2cccc(N3CCN(C)CC3)c2)c1,SLHTZWRSEPLCGP-UHFFFAOYSA-N
-rxn:5:189676:227052:225453,CC(C)(C)Sc1ccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2cccc(SC3CCCCC3)c2)cc1,FFZUWHKCXQOIKQ-UHFFFAOYSA-N
-rxn:5:189829:223264:225576,CNC(=O)c1cc(-c2cc(C(=O)N3CCCC3)cc(-c3ccc(N4CCCC4)c(C#N)c3)c2OC)ccc1F,GAIDNNWKMFZZJF-UHFFFAOYSA-N
-rxn:5:189952:222417:223065,COc1c(-c2ccc(N3CCNCC3)cc2F)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,MQOREBUWLQTXFE-UHFFFAOYSA-N
-rxn:5:189952:226658:226322,COc1c(-c2ccc(C(=O)N(C)C)cc2C)cc(C(=O)N2CCOCC2)cc1-c1ccc(N2CCCC2)nc1F,JEMADWCSYMWFIQ-UHFFFAOYSA-N
-rxn:5:190127:228118:225451,COc1cccc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)c(C(=O)N3CCC(OC)CC3)c2)c1C#N,NHMLASYZVFZSFZ-UHFFFAOYSA-N
-rxn:5:190195:225976:223113,CN(Cc1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1)C1CCOCC1,CVXSJMFBBDBXDS-UHFFFAOYSA-N
-rxn:5:190197:226152:227703,COC(=O)c1cc(-c2ccc(CN(C)C3CCOCC3)c(-c3cc(C4CC4)cc(OC)c3C)c2)cnc1F,NRCBFFUCXKCIGG-UHFFFAOYSA-N
-rxn:5:190199:225784:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(CN2CCOCC2)nc1)C1CCOCC1,KQCXOCMZAMRYCR-UHFFFAOYSA-N
-rxn:5:190231:227968:225834,COc1c(-c2cc(N3CCCCC3)ncc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cnccc1C1CCC1,LSHFFPYLZSXZSG-UHFFFAOYSA-N
-rxn:5:190264:225886:226326,CC1CCN(C(=O)Cc2ccc(-c3cccc(C4(C#N)CC4)c3F)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)CC1,UIPLKEWYHYIKFL-UHFFFAOYSA-N
-rxn:5:190309:225886:225438,CC1CCCCN1CCc1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)ccc1-c1ccc(C(C)N2CCCC2)cc1,BPXRXCGAXGQLQQ-UHFFFAOYSA-N
-rxn:5:190335:225928:227755,COc1c(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc(C(=O)N2CCCCC2C)cc1-c1cc(C(F)(F)F)ccc1F,XMEIXHGXMRQXPA-UHFFFAOYSA-N
-rxn:5:190337:227045:227525,CCc1cnc(C(F)F)cc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cccc(SC(C)(C)C)c2)c1OC,ZYDBKADRAZIYAA-UHFFFAOYSA-N
-rxn:5:190353:226030:225805,COc1c(F)cc(-c2ccc(-c3ccc(C(C)N4CCOCC4)s3)c(C(=O)N3CCC(c4ccccc4)C3)c2)cc1C(F)(F)F,MCYNYBHEUZIDHO-UHFFFAOYSA-N
-rxn:5:190484:223149:223139,CCOc1cc2cn[nH]c2cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C4CCNCC4)nc3)S(=O)(=O)CC2)c1,FICDPWIUODBOCB-UHFFFAOYSA-N
-rxn:5:190484:226662:223139,CN1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc(C6CCNCC6)nc5)S(=O)(=O)CC4)c3)s2)CC1,NWPYLOYCSSABJC-UHFFFAOYSA-N
-rxn:5:190484:226912:228967,Cc1cc(CC(C)C)cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cn(C)nc4C(F)F)S(=O)(=O)CC3)c2)c1,QQVZKNVDSIWBAX-UHFFFAOYSA-N
-rxn:5:190484:226926:227409,Cc1cc(C(C)(C)C)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)(C)C)ncc3F)S(=O)(=O)CC2)c1,BWTDRBPJMWMNKP-UHFFFAOYSA-N
-rxn:5:190711:223065:226661,CCOC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2n1C,RBFQQPZIPXFYPL-UHFFFAOYSA-N
-rxn:5:190711:225834:226661,CCOC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)c2cc(-c3cc(N4CCCCC4)ncc3F)ccc2n1C,UYIIBTPMMBBFDO-UHFFFAOYSA-N
-rxn:5:190711:225849:226661,CCOC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)c2cc(-c3cnc(N4CCCCC4)cc3F)ccc2n1C,ASQOLWIEYKIPBB-UHFFFAOYSA-N
-rxn:5:190740:223061:223056,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(N2CCC(O)CC2)nc1,CPJWMBPXCGIXMF-UHFFFAOYSA-N
-rxn:5:190740:223064:225982,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1cnc(N2CCOCC2)cc1F,OLXGPTNWCZHINT-UHFFFAOYSA-N
-rxn:5:190740:225976:225980,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1cc(N2CCOCC2)ncc1F,GJHKKIGCRMOQFV-UHFFFAOYSA-N
-rxn:5:190740:226661:225849,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCN(C)CC4)cs3)cc2c1-c1cnc(N2CCCCC2)cc1F,XGTUHLYRYHRIAR-UHFFFAOYSA-N
-rxn:5:190740:226662:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCN(C)CC4)s3)cc2c1-c1cc(N2CCCCC2)ncc1F,PRHXDZJICPGBRH-UHFFFAOYSA-N
-rxn:5:190740:226662:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCN(C)CC4)s3)cc2c1-c1cnc(N2CCCCC2)cc1F,OOCCSICRNZYXQM-UHFFFAOYSA-N
-rxn:5:190741:226661:225833,CCOC(=O)c1cnc2c(-c3cc(N4CCN(C)CC4)cs3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,PDOHUSRVXWSKTK-UHFFFAOYSA-N
-rxn:5:190741:226662:225849,CCOC(=O)c1cnc2c(-c3ccc(N4CCN(C)CC4)s3)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,IVFAGEXMJCKSGD-UHFFFAOYSA-N
-rxn:5:190742:223062:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(CN2CCOCC2)nc1,JYJONKQAADTZMI-UHFFFAOYSA-N
-rxn:5:190742:223065:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cnc(N2CCCCC2)cc1F,LDJZZEXFDCVQIF-UHFFFAOYSA-N
-rxn:5:190742:225784:225834,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1cc(N2CCCCC2)ncc1F,PJYIUOHKZLEJQA-UHFFFAOYSA-N
-rxn:5:190742:226661:225591,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCN(C)CC4)cs3)c2c1-c1cc(CN2CCCC2)ccc1F,IYFWEXZNSQUPKT-UHFFFAOYSA-N
-rxn:5:190742:226661:225592,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCN(C)CC4)cs3)c2c1-c1cc(F)ccc1CN1CCCC1,GQNVMELPVANZPV-UHFFFAOYSA-N
-rxn:5:190742:226661:225594,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCN(C)CC4)cs3)c2c1-c1ccc(F)cc1CN1CCCC1,PUTFCQGWRPCXQT-UHFFFAOYSA-N
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-rxn:5:190743:223061:225834,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,VSOUWJBXPXBHDN-UHFFFAOYSA-N
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-rxn:5:190744:223056:223061,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,ORFCPSMYNLKLEM-UHFFFAOYSA-N
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-rxn:5:190859:226069:227808,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(C3CCCCC3)c1)c2-c1ccc2c(c1)CCCC2,JMTSTIYJRGVSEC-UHFFFAOYSA-N
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-rxn:5:192236:223062:225435,COc1cc(-c2ccccc2CN2CCCCC2)c(S(N)(=O)=O)cc1-c1cnc(C2CCNCC2)cc1F,IEARCHIFPQKKLH-UHFFFAOYSA-N
-rxn:5:192236:223062:225445,COc1cc(-c2ccccc2OC2CCCCC2)c(S(N)(=O)=O)cc1-c1cnc(C2CCNCC2)cc1F,QHZSCSKJMBAJMN-UHFFFAOYSA-N
-rxn:5:192236:225798:225600,COc1cc(-c2cccnc2OC2CCCCC2)c(S(N)(=O)=O)cc1-c1ccc(OC2CCOCC2)nc1,GDBJQRMAEMHTTL-UHFFFAOYSA-N
-rxn:5:192236:225808:225600,COc1cc(-c2cccnc2OC2CCCCC2)c(S(N)(=O)=O)cc1-c1cc(OC2CCCC2)ncc1F,VSZHAUGIJOOZET-UHFFFAOYSA-N
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-rxn:5:193227:225976:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)cc(-c4ccnc(N5CCOCC5)c4F)c3)c2)CC1,HXJDZCLBHVKKSM-UHFFFAOYSA-N
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-rxn:5:193331:226679:225834,Fc1cc(N2CCCC2)ncc1-c1ccc(CN2CCOCC2)c(-c2cc(N3CCCCC3)ncc2F)c1,SNSXUMVKQAZGRL-UHFFFAOYSA-N
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-rxn:5:193382:223306:226662,CN1CCN(c2ccc(-c3cc(-c4ccc5c(c4)CNCC5)ccc3S(=O)(=O)N3CCOCC3)s2)CC1,VWRIIMWHERSMTF-UHFFFAOYSA-N
-rxn:5:193382:226583:225805,CC(c1ccc(-c2cc(-c3ccc(CN4CCOCC4)s3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,IOFXJECSLVDBSB-UHFFFAOYSA-N
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-rxn:5:193382:226662:223146,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4cccc(C5CNCCO5)c4)c3)s2)CC1,ULHIQQDZPVGGEL-UHFFFAOYSA-N
-rxn:5:193382:226662:223147,CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5CNCCO5)cc4)c3)s2)CC1,NBHJDSPBHVMDKW-UHFFFAOYSA-N
-rxn:5:193382:226842:226679,O=C(c1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc(N4CCCC4)cc3F)c2)c1)C(F)(F)F,XKJYKRHDRYMOAY-UHFFFAOYSA-N
-rxn:5:193382:227803:223058,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cc(F)nc(C3CCCNC3)c2)c1,ROINNQKDOLJRCC-UHFFFAOYSA-N
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-rxn:5:193464:226946:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2ccc3c(c2)CCN(C)C3)ccc1C1(C#N)CCCCC1,GERAGNPIINUYSC-UHFFFAOYSA-N
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-rxn:5:193506:227506:223242,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc2-c2ccnc(C3CCNC3)c2)CC1,SAGLRRDMJKBTNR-OVCLIPMQSA-N
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-rxn:5:193506:228728:222993,COc1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(N4CCCCC4O)c3)c2)cc1C,KILVXWVZYWWWIS-UHFFFAOYSA-N
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-rxn:5:193753:226331:226030,COc1c(F)cc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(C4(C#N)CC4)cc3F)c2)cc1C(F)(F)F,WGNOSZIFZPSPRM-UHFFFAOYSA-N
-rxn:5:193807:226452:226330,CC1CCN(Cc2cccc(-c3ccc(C(C)N4CCCC4)s3)c2-c2ccc(C3OCCCO3)cc2)CC1,FNLROYQIMXALKT-UHFFFAOYSA-N
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-rxn:5:193868:222987:226085,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)c(C(=O)N2CC(C)OC(C)C2)c1,FBPVOBAOINMUBL-UHFFFAOYSA-N
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-rxn:5:193869:223312:223148,Cc1cc(-c2ccc(C3CNC3)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C1CNCCO1,GXTWUCJNRAEFIC-UHFFFAOYSA-N
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-rxn:5:193871:226334:228488,Cc1cc(C(=O)N(C)C)cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(F)cc2[N+](=O)[O-])c1,MEMQQKJUPGQKOQ-UHFFFAOYSA-N
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-rxn:5:193872:226190:226742,N#Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(C3CCCC3)cc2F)c(C(F)(F)F)c1,XCKJRQXIUYLPMK-UHFFFAOYSA-N
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-rxn:5:193967:228885:225942,CC(C)c1ncc(-c2cc(-c3cnc(C#N)c(F)c3)ccc2CN2CCC3(CC2)OCCO3)cc1C(F)(F)F,KTEMMCJVDPOLKO-UHFFFAOYSA-N
-rxn:5:193972:222420:223135,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C1CCCNC1,IHHOPQJLLXLBCB-UHFFFAOYSA-N
-rxn:5:193972:223148:228868,COC(=O)c1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccccc3C3CNCCO3)cc2C)s1,ITXDWCDYGVBLSS-UHFFFAOYSA-N
-rxn:5:193972:223312:223148,Cc1cc(-c2ccc(C3CNC3)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1C1CNCCO1,FQHJJXRSXQACDE-UHFFFAOYSA-N
-rxn:5:193972:225394:228608,COc1cc(C)ccc1-c1cc(S(=O)(=O)N2CCCCCC2)c(-c2cc(C3CCC3)cc(C3CC3)c2)cc1C,SPZUOZLQXRHHCS-UHFFFAOYSA-N
-rxn:5:193972:228178:227524,COCc1ccc(F)c(-c2cc(C)c(-c3cc(OC)c(C#N)cc3F)cc2S(=O)(=O)N2CCCCCC2)c1,IARKUCLPJBVJLY-UHFFFAOYSA-N
-rxn:5:194058:223054:222987,Cc1nc(C2CCNCC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,QIAHJYPGKGELBS-UHFFFAOYSA-M
-rxn:5:194058:223054:225683,Cc1nc(C2CCCOC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,TVXHLIOUCCRPPW-UHFFFAOYSA-M
-rxn:5:194058:223054:225831,Cc1cc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cnc1N1CCOCC1,QQKNWYMNZJQEAS-UHFFFAOYSA-M
-rxn:5:194058:223054:226686,Cc1cnn(C2CCCCO2)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCC(O)C2)s1,XGSULCWYGLFZHB-UHFFFAOYSA-M
-rxn:5:194058:223058:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(F)nc(C3CCCNC3)c2)s1)N1CCC(O)C1,HBRJNUKODYHKTP-UHFFFAOYSA-M
-rxn:5:194058:225613:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(OC3CCCCC3)c2)s1)N1CCC(O)C1,PKQUOQRVXPPQPD-UHFFFAOYSA-M
-rxn:5:194058:225653:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCCCC3C)nc2)s1)N1CCC(O)C1,MIANIBLWBYIRMH-UHFFFAOYSA-M
-rxn:5:194058:225831:223054,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)cnc1N1CCOCC1,MSNWKPDFFLVVGK-UHFFFAOYSA-M
-rxn:5:194058:225832:226654,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1csc(N2CCC(C)CC2)n1,JWYOXMPCGATHHT-UHFFFAOYSA-M
-rxn:5:194058:225980:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCOCC3)ncc2F)s1)N1CCC(O)C1,FKZLZFYRQZUCSH-UHFFFAOYSA-M
-rxn:5:194058:226428:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCCCC3C)cs2)s1)N1CCOCC1,FJZCQOQDNAQTID-UHFFFAOYSA-M
-rxn:5:194058:226428:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cc(N2CCCCC2C)cs1,RIFBIQIUMGJISI-UHFFFAOYSA-M
-rxn:5:194398:226190:226197,O=C(c1ccc(-c2ccc(C3CCCC3)cc2F)cc1-c1ccc(C2CCCOC2)cc1)N1CC2CC2C1,NLTFYHOSRAGJNC-UHFFFAOYSA-N
-rxn:5:194414:223008:226589,CC(C)c1cnc(C(F)F)cc1-c1c(-c2cc(C3CCNCC3)ccc2F)ccc2c1CCN2CC1CC1,XYDRUDVZINWPCG-UHFFFAOYSA-N
-rxn:5:194767:223004:228516,CCc1cc(C)cc(-c2ccc(-c3ccc(C4CCNCC4)c(F)c3)cc2C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,POBSFMFDXGZJBT-UHFFFAOYSA-N
-rxn:5:194767:226644:225833,O=C1OC2(CCCN(C(=O)c3cc(-c4cncc(N5CCOCC5)c4)ccc3-c3ccnc(N4CCCCC4)c3F)C2)c2ccccc21,VFABPADWQNZCEU-UHFFFAOYSA-N
-rxn:5:194767:226710:223242,C[Si](C)(C)c1c(F)ccc(-c2ccc(-c3ccnc(C4CCNC4)c3)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c1F,GZXWTVGMXIWMKK-UHFFFAOYSA-N
-rxn:5:194767:228755:223062,COc1cncc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c1C,JEXWKZVHWIEOAZ-UHFFFAOYSA-N
-rxn:5:194782:226181:229223,Cc1csc(C)c1-c1ccc(-c2ccc(C3=CCCCC3)nc2)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2,XQBIHOAXCIYARL-UHFFFAOYSA-N
-rxn:5:194782:226661:227150,Cc1cc(-c2ccc(-c3cc(N4CCN(C)CC4)cs3)cc2C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc2cnn(C)c12,BKIVJTULKMBAAJ-UHFFFAOYSA-N
-rxn:5:194786:225929:226069,Cc1cc(-c2ccc(-c3cc4c(n3-c3ccc(-c5cccc(C6CCCCC6)c5)cc3)CC(C)(C)CC4=O)cc2)ccc1S(=O)(=O)N(C)C,YLXXWZLQPVGRCU-UHFFFAOYSA-N
-rxn:5:194786:226734:225499,CN(C)S(=O)(=O)c1cccc(-c2ccc(-c3cc4c(n3-c3ccc(-c5ccc(C6CCCCC6)cc5F)cc3)CC(C)(C)CC4=O)cc2)c1,YKDVYJSMJZQADJ-UHFFFAOYSA-N
-rxn:5:194791:223007:228269,COc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5cc(F)cc(C6CCNCC6)c5)C(=O)C34)cc2)c(F)cc1C,RVQGVGMDJMAMQE-UHFFFAOYSA-N
-rxn:5:194791:229029:227749,Cc1cc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5cc(F)cc(C(F)(F)F)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)ccc1F,KFKIAMDASVTRDN-UHFFFAOYSA-N
-rxn:5:194791:229037:226883,Cc1ccc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5c(F)ccc(C(F)(F)F)c5F)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1F,OZVRHEUUZWDMEX-UHFFFAOYSA-N
-rxn:5:194792:228157:228200,COc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccnn6C6CCCC6)cc5)C(=O)C34)cc2)c(OC)c1,SMZUFHBQDDQAOM-UHFFFAOYSA-N
-rxn:5:196170:223054:223056,Cc1cc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(C(C)N3CCC(O)C3)s2)cc1S(N)(=O)=O,SOYXSJGIWUCDJC-UHFFFAOYSA-N
-rxn:5:196175:226661:223054,Cc1c(-c2cc(N3CCN(C)CC3)cs2)cc(-c2ccc(C(C)N3CCC(O)C3)s2)cc1S(N)(=O)=O,ZWVINNCPRDEXSZ-UHFFFAOYSA-N
-rxn:5:196198:225631:226589,CC(C)c1cnc(C(F)F)cc1-c1cc(N2C(=O)C=CC2=O)ccc1-c1ccc(N2CCN(C)CC2)cc1,PSFNPLVFMNCKAH-UHFFFAOYSA-N
-rxn:5:196198:225683:226131,Cc1nc(C2CCCOC2)ccc1-c1ccc(N2C(=O)C=CC2=O)cc1-c1ccccc1CN1CCCC1,PZHTVKPAUQCEBJ-UHFFFAOYSA-N
-rxn:5:196198:226589:225632,CC(C)c1cnc(C(F)F)cc1-c1ccc(N2C(=O)C=CC2=O)cc1-c1cccc(N2CCN(C)CC2)c1,YLDYBQIYSMWPJE-UHFFFAOYSA-N
-rxn:5:196198:226589:225637,CC(C)c1cnc(C(F)F)cc1-c1ccc(N2C(=O)C=CC2=O)cc1-c1ccccc1N1CCN(C)CC1,DFWFXQKKZJXDIB-UHFFFAOYSA-N
-rxn:5:196408:222987:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(C2=NOCCO2)c(-c2ccc(C3CCNCC3)nc2C)c1,GQUNSRWCVODSTA-UHFFFAOYSA-N
-rxn:5:196533:225978:226843,O=C1CC(c2ccc(C(=O)C(F)(F)F)nc2)C(=O)N1c1ccc(-c2ccc(N3CCOCC3)nc2F)cc1,RTRWKCKOXAWXDO-UHFFFAOYSA-N
-rxn:5:196789:226366:225980,O=C1COCCN1c1ccc(-c2ccnc(N3CCCCC3)c2)cc1-c1cc(N2CCOCC2)ncc1F,AVJXXTRJWSZKHX-UHFFFAOYSA-N
-rxn:5:196789:227768:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccn2S(=O)(=O)N(C)C)ccc1N1CCOCC1=O,QXGDIPGSGPJACW-UHFFFAOYSA-N
-rxn:5:196790:223006:225634,Cc1cc(-c2ccc(N3CCOCC3=O)c(-c3ccc(F)c(C4CCNCC4)c3)c2)cnc1N1CCCCC1,HYIRZFRNWIJORE-UHFFFAOYSA-N
-rxn:5:196794:225881:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc(C5CCOCC5)nc4F)cc3N3CCOCC3=O)c2)CC1,YROAINZCFCGZAB-UHFFFAOYSA-N
-rxn:5:196858:225472:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ncc1-c1cccc(N2CCCCC2C)c1,PYQZFPJLGRPQMK-UHFFFAOYSA-N
-rxn:5:196873:225832:223136,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(N2CCOCC2)cc1-c1ccncc1C1CCCNC1,VVEOAPRUWKPUIW-UHFFFAOYSA-N
-rxn:5:196969:225438:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCCCC2)ncc1-c1ccc(C(C)N2CCCC2)cc1,DKMIKTDDYKXNQH-UHFFFAOYSA-N
-rxn:5:197876:223001:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cc(C3CCCNC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,CCXISSQCJUOFMK-UHFFFAOYSA-N
-rxn:5:197876:223008:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCNCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ILKULKKOGRGQIJ-UHFFFAOYSA-N
-rxn:5:197876:223191:227670,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cc(F)cc(C(C)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,MHCGJRSNNUVEDA-UHFFFAOYSA-N
-rxn:5:197876:223263:227052,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BLLLBULHYZOOIA-UHFFFAOYSA-N
-rxn:5:197876:223287:225811,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,LXMSLXZXHCXCAR-UHFFFAOYSA-N
-rxn:5:197876:225395:228435,CSc1ccc(F)c(F)c1-c1cc2c(cc1-c1cc(C3CC3)cc(C(C)(C)C)c1)S(=O)(=O)N(C(C)(C)C)C2=O,GAYPQBUVIGMGCD-UHFFFAOYSA-N
-rxn:5:197876:225498:227276,CCc1cc(N(C)C)ncc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SJALDLFTCFUQQJ-UHFFFAOYSA-N
-rxn:5:197876:225498:227706,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WMDGKXDGVHIKOY-UHFFFAOYSA-N
-rxn:5:197876:225498:227914,CC(C)Oc1ccccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,OQQSUFARSFEGFH-UHFFFAOYSA-N
-rxn:5:197876:225499:227050,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC(C)C,VVAHIUOYAHGIDR-UHFFFAOYSA-N
-rxn:5:197876:225499:227280,CC(C)c1cnc(C#N)cc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,TXQLZVWCZTXHMG-UHFFFAOYSA-N
-rxn:5:197876:225499:227898,CC(C)Cc1cncc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ZMKSTIMIRGERAO-UHFFFAOYSA-N
-rxn:5:197876:225499:228195,Cc1nn(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VPQJMWTZOYWTPQ-UHFFFAOYSA-N
-rxn:5:197876:225499:228219,CC(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,KGTRFMIYQMBJFS-UHFFFAOYSA-N
-rxn:5:197876:225499:228761,COc1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C,FGHGTUOPNXGMBZ-UHFFFAOYSA-N
-rxn:5:197876:225601:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YAJLDXFUCXJAHE-UHFFFAOYSA-N
-rxn:5:197876:225602:227558,Cc1cc(OC(F)F)ccc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GKQZVWZVOKYNIE-UHFFFAOYSA-N
-rxn:5:197876:225602:229088,CC(=O)c1csc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FXIBSHJTLOAVAW-UHFFFAOYSA-N
-rxn:5:197876:225603:227965,Cc1ccnc(C(C)C)c1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,YCQBXGNFZZGQKA-UHFFFAOYSA-N
-rxn:5:197876:225674:228586,CC(C)c1ncccc1-c1cc2c(cc1-c1cnc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,KUXGFOUQIOQGRH-UHFFFAOYSA-N
-rxn:5:197876:225679:223354,CNC(=O)c1ccc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,KEQVNNCUHDNXFN-UHFFFAOYSA-N
-rxn:5:197876:225679:227827,Cc1ccc(C2CC2)cc1-c1cc2c(cc1-c1ccc(N3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,CAEFYJKUSZMVJK-UHFFFAOYSA-N
-rxn:5:197876:225679:228572,Cc1ccc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C#N,IDRMCWQESSXOHU-UHFFFAOYSA-N
-rxn:5:197876:225811:227525,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C3(C(F)(F)F)CC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,ZZCQLEPVANHBAU-UHFFFAOYSA-N
-rxn:5:197876:225816:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cc(C4CC4)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,QCZXBRULQSGXGH-UHFFFAOYSA-N
-rxn:5:197876:225816:227826,CC(C)(C)c1cccc(-c2cc3c(cc2-c2cc(C4CC4)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JNYOGXLYMVNJHX-UHFFFAOYSA-N
-rxn:5:197876:225824:227044,CC(C)(C)N1C(=O)c2cc(-c3ccc(C(=O)C4CC4)cc3)c(-c3cc(C4CC4)cc(C(F)(F)F)c3)cc2S1(=O)=O,VBRDJPVKLNSONW-UHFFFAOYSA-N
-rxn:5:197876:225937:226711,CC(C)c1cnc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc3cnn(C(F)F)c3c1)C(=O)N(C(C)(C)C)S2(=O)=O,VNSWEFXQJGPPFE-UHFFFAOYSA-N
-rxn:5:197876:225937:226907,CC(C)c1cnc(C(F)(F)F)cc1-c1cc2c(cc1-c1cccc3c1CCC31CC1)C(=O)N(C(C)(C)C)S2(=O)=O,UJDSZWPIKUPPTJ-UHFFFAOYSA-N
-rxn:5:197876:225978:227826,CC(C)(C)c1cccc(-c2cc3c(cc2-c2ccc(N4CCOCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QSCIHFDSBPAKEX-UHFFFAOYSA-N
-rxn:5:197876:226031:227909,CCC(C)c1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,HWCSHBYAPNIQQS-UHFFFAOYSA-N
-rxn:5:197876:226067:227921,COC(C)c1cccc(-c2cc3c(cc2-c2ccc(C4=CCCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ZOUUXXLRJZHJPR-UHFFFAOYSA-N
-rxn:5:197876:226067:228253,CC(C)(C)N1C(=O)c2cc(-c3ccc(P(C)(C)=O)cc3)c(-c3ccc(C4=CCCCC4)cc3)cc2S1(=O)=O,DDHDIJQWRLFVLA-UHFFFAOYSA-N
-rxn:5:197876:226068:227788,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cc(C(F)(F)F)cnc1F)C(=O)N(C(C)(C)C)S2(=O)=O,DDFRGFBCPUDUOG-UHFFFAOYSA-N
-rxn:5:197876:226068:228388,Cc1cnc(C(F)F)cc1-c1cc2c(cc1-c1c(C)cc(C(C)(C)C)cc1C)S(=O)(=O)N(C(C)(C)C)C2=O,CWSBNLQDGXSHML-UHFFFAOYSA-N
-rxn:5:197876:226131:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccccc2CN2CCCC2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,QBIDELCCAZCRQR-UHFFFAOYSA-N
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-rxn:4:175181:222447,COc1ccc2c(c1-c1ccc(C(=O)CC(=O)C3CC3)cc1)N=C(NC(=O)OC(C)(C)C)C2,IZGHXAVLDROUIL-UHFFFAOYSA-N
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-rxn:4:175729:224194,CCN1CCN(Cc2ccc(-c3ccc(OCCC4OCCCO4)c(F)c3)cc2Cl)CC1,WBFUONBJCODZAJ-UHFFFAOYSA-N
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-rxn:4:178264:223500,COc1ccc(-c2ccc(F)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1Cc1ccc(C)cc1,FCRNEARSVUPICF-UHFFFAOYSA-N
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-rxn:4:178384:226210,COc1ccc2cc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)ccc2n1,QZIDUNXSKWGNGT-UHFFFAOYSA-N
-rxn:4:178384:227570,CCOc1c(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1Cl,GYNSNYVMKVBBGD-UHFFFAOYSA-N
-rxn:4:178384:228226,Cc1c(Cl)cc(C#N)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,NKNXZLUOYJLBAZ-UHFFFAOYSA-N
-rxn:4:178384:228396,COc1cc(F)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1,UNXCWQDJJLXSTD-UHFFFAOYSA-N
-rxn:4:178484:223916,CCOC(=O)C=C1CCc2cc(-c3ccc(C(=O)N4CCN(C(C)C)CC4)cc3)ccc21,YISHFDYBWBQSCZ-UHFFFAOYSA-N
-rxn:4:178588:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)cc1,OKBPZAWHMGWKCG-UHFFFAOYSA-N
-rxn:4:178597:226357,Cc1cnn(-c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cc2)c1,QNCSREAVTWHRHJ-UHFFFAOYSA-N
-rxn:4:178597:228044,Cc1cc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c2nccn2c1,HKMYDGKODYFACU-UHFFFAOYSA-N
-rxn:4:180459:222466,c1c(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc(C2CC2)cc1C1CCCC1,LBNGWEIKXCCJAH-UHFFFAOYSA-N
-rxn:4:180492:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(C4CCCOC4)ccc3C3CC3)c(F)ccc21,GVXJCUYRNCMLTK-UHFFFAOYSA-N
-rxn:4:180510:223712,CCC1CCC(c2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)CC1,XFEHJCSVVVIYHS-UHFFFAOYSA-N
-rxn:4:180976:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3c(F)ccc(F)c3C(F)F)cc2)CC1,LLOAYTPQJBAJNA-UHFFFAOYSA-N
-rxn:4:181313:223497,Cc1cccc(C(F)F)c1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,XPDPZIGKHMDRHA-UHFFFAOYSA-N
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-rxn:4:182079:223489,Cc1ccc(-c2cc(F)c(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cc2C)cc1,SESDEQNHUANGDZ-UHFFFAOYSA-N
-rxn:4:182374:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cc3c(cc2C(C)=O)C(C)(C)CCC3(C)C)c1,JJPCNOYGOUMPOJ-UHFFFAOYSA-N
-rxn:4:182374:224493,CC(=O)c1cc2c(cc1-c1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C(C)(C)CCC2(C)C,SOMNGKNZSNJGDP-UHFFFAOYSA-N
-rxn:4:182376:225446,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C)cc(OC5CCCC5)c4)cc3C2=O)C[C@@H]1C,VVRTVRDYRVGTSR-BFVWLKTBSA-N
-rxn:4:183102:223597,O=C1CCCOc2cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)ccc21,LOTIHDIFSQIKFJ-UHFFFAOYSA-N
-rxn:4:183222:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)SCCC4(C)C)cc21,IDBWTBZFYVEMDN-UHFFFAOYSA-N
-rxn:4:183523:222913,CCOC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1-c1ccc(CNS(=O)(=O)C2CC2)cc1,NXPSXJSBTREQPQ-UHFFFAOYSA-N
-rxn:4:183595:223508,CCC(Oc1cccc([N+](=O)[O-])c1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1)C(=O)OC,DBMREDUFXLOKSR-UHFFFAOYSA-N
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-rxn:4:183666:222676,COC(=O)C(Oc1cccc([N+](=O)[O-])c1-c1cc(F)ccc1CNC(=O)OC(C)(C)C)C(C)C,QBGUTWBDROJOKZ-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:4:183694:224323,COC(=O)C1CN(Cc2cc(OC(F)(F)F)cc(-c3cc(C)c(S(=O)(=O)N4CCCC4)c(C)c3)c2)C1,GKKXGQLDZXQAOW-UHFFFAOYSA-N
-rxn:4:183818:224488,CC(C)N(C(=O)c1ccc(-c2ccccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1)C(C)C,WHAHCNQPUYQKME-UHFFFAOYSA-N
-rxn:4:183831:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1,PIGIIGDUUQTBRA-UHFFFAOYSA-N
-rxn:4:183872:223039,COCCOc1cc(-c2ccc(F)c(C(=O)NC(C)C)c2)ccc1C(=O)N1CCCCC1,IQHJEMNPPJHPCG-UHFFFAOYSA-N
-rxn:4:183900:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C(C)C)cc1,WYDMWMVVKUQIMR-UHFFFAOYSA-N
-rxn:4:183905:224716,CCCCN(C(=O)c1ccc(-c2ccc(N(C)C(=O)OC(C)(C)C)nc2)cc1)C1CCS(=O)(=O)C1,INIQXLMFMWQEKM-UHFFFAOYSA-N
-rxn:4:183910:222807,COC(=O)c1cc(OCCN2CCOC(C)C2)cc(-c2cc(C(=O)NC3CC3)cc([N+](=O)[O-])c2)c1,MNHDWUABOFUXQG-UHFFFAOYSA-N
-rxn:4:183932:223891,Cc1cc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)ccc1CN(C(=O)OC(C)(C)C)C1CC1,DMEDGMCXWVVRQI-UHFFFAOYSA-N
-rxn:4:183964:224415,COC(=O)c1cc(OCCN2CCC(C)CC2)cc(-c2ccnc(C(F)(F)C(F)(F)C(F)(F)F)c2)c1,MCJCCRZXDSVHQR-UHFFFAOYSA-N
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-rxn:4:185053:225226,CC1CCN(c2cc(-c3ccccc3OCC3CCN(CC(F)(F)F)CC3)c(F)cn2)CC1,ZMKRKWRAJVFEPY-UHFFFAOYSA-N
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-rxn:4:185224:224062,COc1cc(-c2cccc(OCc3cc(C)ccc3C)c2)cc(OC)c1C(=O)N1CCC(C(F)(F)F)CC1,QBYWDXRLPAWKTA-UHFFFAOYSA-N
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-rxn:4:185333:225312,Cc1cccc(CC(=O)N(c2ccc(-c3cnc(N4CCCN(C)CC4)nc3)cc2)C2C=CS(=O)(=O)C2)c1,XMEAQWHRWGLTHZ-UHFFFAOYSA-N
-rxn:4:185348:223094,CCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1-c1ccc([N+](=O)[O-])c(NC(C)=O)c1,NRBYOHCETAUESY-UHFFFAOYSA-N
-rxn:4:185353:225270,CCCOc1ccc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)cc1C(F)(F)F,TULSQAADNJYYBK-UHFFFAOYSA-N
-rxn:4:185356:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(F)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1F,UGSAOUWKHYTBTM-UHFFFAOYSA-N
-rxn:4:185375:222986,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc(C2CCCNC2)n1,YHTKBKYONDOWQJ-UHFFFAOYSA-N
-rxn:4:185383:226606,CC(C)Oc1c(F)cc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc1Cl,BBMYHHBBYCPOPU-UHFFFAOYSA-N
-rxn:4:185413:226269,CCOc1ccc(OCC)c(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)ccc2OC)c1,QRXJWIAIYLDFNJ-UHFFFAOYSA-N
-rxn:4:185422:224462,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(C4CCN(C5CC5)CC4)cc3)cc2C2CC2)C1,KRCAAQOOJJPABC-UHFFFAOYSA-N
-rxn:4:185428:225174,CC1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccc(F)cc2CN2CCOCC2)CC1,JIXTZOIQEVRHEY-UHFFFAOYSA-N
-rxn:4:185453:224271,CC(C)(C)OC(=O)n1c(-c2cccc3c2cc(OS(=O)(=O)C(F)(F)F)n3CC(F)(F)F)cc2cccnc21,LKCGQCOVMNEZDA-UHFFFAOYSA-N
-rxn:4:185465:223568,COC(=O)c1cc2sc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2n1C(=O)OC(C)(C)C,QIAUCVCRLCRXLH-UHFFFAOYSA-N
-rxn:4:185475:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3ccc4c(c3)C(=O)C(=O)N4CCCOc3ccccc3)cc21,XFHLKRAABHZNDD-UHFFFAOYSA-N
-rxn:4:185595:224270,Cc1ccc(CN(C(=O)c2oc3ccc(-c4cn(C(=O)OC(C)(C)C)c5ncccc45)cc3c2C)C2CCS(=O)(=O)C2)o1,GAMQXVAZPYRVGY-UHFFFAOYSA-N
-rxn:4:185613:222468,COc1ccc(CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1-c1ccc2cc(NC(=O)OC(C)(C)C)ccc2c1,FKKRQGLGDVMEQT-UHFFFAOYSA-N
-rxn:4:185627:226889,Cc1ccc2c(C)c(C(=O)N(Cc3cccc(-c4cc(Cl)cc(C(F)(F)F)c4F)c3)C3CCS(=O)(=O)C3)oc2c1C,WNVIGDGEIGOXEN-UHFFFAOYSA-N
-rxn:4:185731:223823,COC(=O)c1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1OC(F)F,KSWUHXVCPRGQSE-UHFFFAOYSA-N
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-rxn:4:186407:224420,Cc1cc2c(cc1-c1ccc(S(=O)(=O)N(C)C)c(OC(F)(F)F)c1)C(C)(C)CCC2(C)C,HDUJVOYZMMYDBX-UHFFFAOYSA-N
-rxn:4:186460:222606,Cc1cc(OCC2CC2)c(-c2cccc(C(F)(F)F)c2C(=O)NC(C)(C)C)cc1[N+](=O)[O-],ATDVDBKSENNIRF-UHFFFAOYSA-N
-rxn:4:186712:224146,COC(=O)C1CN(Cc2cc(Cl)cc(-c3c(C)cc(O[Si](C)(C)C(C)(C)C)cc3C)c2)C1,OAMMJUHFGBHRBR-UHFFFAOYSA-N
-rxn:4:186743:225221,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCCC4)cc3OC(F)(F)F)c(F)cn2)C1,CELRRILFERGZDI-UHFFFAOYSA-N
-rxn:4:186751:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc(N(C(=O)C(F)(F)F)C2C=CS(=O)(=O)C2)cc1,YUGSOZDPNUQVTO-UHFFFAOYSA-N
-rxn:4:186876:223916,CC(C)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3OCCN3CCOCC3)cc2)CC1,FDCYHFVGBRZZQG-UHFFFAOYSA-N
-rxn:4:187008:224246,COC(=O)c1ccc(-c2ccc(C(=O)N3CCC(C)CC3)c(F)c2)c(CN2CCC(F)(F)C2)c1,AUGULMVOJVFFAK-UHFFFAOYSA-N
-rxn:4:187027:223036,CC(C)(C)C(=O)Nc1ccc(-c2cc(OC(F)(F)F)cc(C(=O)N3CCC(F)(F)CC3)c2)cn1,RRGZRPVSADIHNU-UHFFFAOYSA-N
-rxn:4:187043:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(CCCN4CCOCC4)c3)cn2)CC1,VPYSZSUHGGENGA-UHFFFAOYSA-N
-rxn:4:187092:226578,CN(C)C(=O)c1ccc(-c2cc(CN3CCC(F)(F)CC3)ccc2OC(F)(F)F)cc1Cl,VULZJMHDUYVCHP-UHFFFAOYSA-N
-rxn:4:187110:223866,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1,QLGGONUDOGDOCL-UHFFFAOYSA-N
-rxn:4:187127:222743,CC(c1ccc(-c2ccc(S(=O)(=O)CC(=O)N3CCCCC3)cc2)cc1)N1CCC(O)CC1,SUWYLIXXSIQNIL-UHFFFAOYSA-N
-rxn:4:187148:225087,CN(C)CCCOc1ccc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2F)cc1F,BSGKVTFFTOYCPL-UHFFFAOYSA-N
-rxn:4:187189:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1,BFAFOJGZBFFAEN-UHFFFAOYSA-N
-rxn:4:187192:224420,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1,MULPLYBCNRMMDI-FNZWTVRRSA-N
-rxn:4:187205:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2C2CN(C(=O)OC(C)(C)C)C2)cc1,ACAMXOYPPURFSM-UHFFFAOYSA-N
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-rxn:4:187252:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(F)c(CCN2CCC(C(F)(F)F)CC2)c1,XBUSSNBVBUEEDY-UHFFFAOYSA-N
-rxn:4:187276:223289,CNS(=O)(=O)c1ccccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,BUJYZXCYPZTWOE-UHFFFAOYSA-N
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-rxn:4:187276:228742,N#Cc1cc(Cl)cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c1,OWBXOIUQJAVVSS-UHFFFAOYSA-N
-rxn:4:187283:224320,COCC1CCN(Cc2ccc(-c3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2)CC1,IUPNCBVDCNRJLC-UHFFFAOYSA-N
-rxn:4:187283:224396,COCC1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)cc2)CC1,DRALCTHIXAUSAY-UHFFFAOYSA-N
-rxn:4:187286:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C)cc2C(=O)N(C(C)C)C(C)C)cc1,HVRRKCGYLLMPCR-UHFFFAOYSA-N
-rxn:4:187295:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C)ccc2C(=O)N(C(C)C)C(C)C)c1,JNRMZCMNBNTJKZ-UHFFFAOYSA-N
-rxn:4:187318:224199,COC(=O)c1ccc(-c2ccc(CN3CCN(C(C)=O)CC3)cc2)c(CN2CCOC(C)C2)c1,WWTSKYJBWJVEDH-UHFFFAOYSA-N
-rxn:4:187336:223817,COc1cc(-c2cnn(CCN3C(=O)c4ccccc4C3=O)c2)cc(OC)c1C(=O)N1CCCC(F)(F)C1,SJRMKMFBTXCIKJ-UHFFFAOYSA-N
-rxn:4:187336:225123,COc1cc(-c2ccncc2OCC2CCCCO2)cc(OC)c1C(=O)N1CCCC(F)(F)C1,OVEVMBAFSNYZFN-UHFFFAOYSA-N
-rxn:4:187358:224651,CC(C)Oc1ccc(CN2CCOCC2)cc1-c1c(F)cccc1O[Si](C)(C)C(C)(C)C,RZZAZGQNLCKVAO-UHFFFAOYSA-N
-rxn:4:187366:223768,CC(C)Oc1cccc(-c2cn(C(=O)OC(C)(C)C)c3cc(C#N)ccc23)c1CN1CCOCC1,SVQRQIKTSMPVNR-UHFFFAOYSA-N
-rxn:4:187370:225114,CCN(C(=O)c1cc(Cl)cc(-c2csc(CO[Si](C)(C)C(C)(C)C)c2)c1)C1CCCCC1,YCBSNPVJHLSGKE-UHFFFAOYSA-N
-rxn:4:187376:223920,CC1CCCN(C(=O)CS(=O)(=O)c2ccc(-c3ccc(C(=O)N(C)C4CCCCC4)cc3Cl)cc2)C1,XOXFBRJNEDTXSG-UHFFFAOYSA-N
-rxn:4:187384:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cccc(C2C(=O)CCN2C(=O)OC(C)(C)C)c1,ZXAOGRPCJFNXKD-UHFFFAOYSA-N
-rxn:4:187439:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)co2)cc1,CJFVCXFAHQZGOI-UHFFFAOYSA-N
-rxn:4:187474:223957,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c2)c1,XZORFRMWPCXLTM-UHFFFAOYSA-N
-rxn:4:187485:225177,CCOc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(CN2CCSCC2)c(F)c1,MMRWHZQXCLBGST-UHFFFAOYSA-N
-rxn:4:187489:225177,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(CN2CCSCC2)c(F)c1,YFENWNVHUQBUBW-UHFFFAOYSA-N
-rxn:4:187489:225186,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(F)c(CN2CCSCC2)c1,RZJTUORNLPNXMA-UHFFFAOYSA-N
-rxn:4:187500:225320,COc1cc(-c2ccc(N3CCOCC3)c(F)c2F)cc(OC)c1C(=O)N1CCCCC1C,KXDRSQNGNSIXKH-UHFFFAOYSA-N
-rxn:4:187503:225098,Clc1cc(-c2ccc(OCCN3CCCC3)nc2)ccc1OCCN1CCC2(CC1)OCCO2,FAHORCWYKGKSFF-UHFFFAOYSA-N
-rxn:4:187504:223184,Fc1cc(-c2cnc(N3CCNCC3)nc2)ccc1OCCN1CCC2(CC1)OCCO2,JQANVVIACJLMBM-UHFFFAOYSA-N
-rxn:4:187504:224881,Fc1cc(-c2cccc(CN3CCCCCC3)c2)ccc1OCCN1CCC2(CC1)OCCO2,KIYJMCFNVHNTTG-UHFFFAOYSA-N
-rxn:4:187537:226001,N#Cc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)ccc1OC(F)(F)F,WQLBBHWDGTYZTH-UHFFFAOYSA-N
-rxn:4:187540:223884,CC(C)N(C)Cc1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc(C(C)(C)C)c1,WCRQXBWHTNPYCO-UHFFFAOYSA-N
-rxn:4:187554:223105,CNS(=O)(=O)c1cc(-c2cccc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c(F)cc1C,VZAKYZDXHMCTHW-UHFFFAOYSA-N
-rxn:4:187554:224834,CN(C)S(=O)(=O)n1cc(-c2cccc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c(C(F)(F)F)n1,CFHZPRSXBWZAMU-UHFFFAOYSA-N
-rxn:4:187559:223786,CN1CCN(CCCOc2ccc(-c3ccc(CN4CCCCC4)c(Oc4ccccc4)c3)cc2Cl)CC1,VDOJUFYHXJHFEF-UHFFFAOYSA-N
-rxn:4:187561:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1,JDVDGGKPVSRTHN-HXBUSHRASA-N
-rxn:4:187561:224799,CC(C)Oc1cc(OC(F)(F)F)cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1,OFXCRWMPRUMAAV-UHFFFAOYSA-N
-rxn:4:187572:222864,CC(C)NCCOc1ccc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1F,SXCGUNVARDNGDM-UHFFFAOYSA-N
-rxn:4:187577:224075,COC(=O)c1cc(-c2ccc3ccn([Si](C)(C)C(C)(C)C)c3c2)cc(N(C)C2CCCCC2)c1C,FCYCPGXGKFTKDN-UHFFFAOYSA-N
-rxn:4:187580:226000,CC(=O)Oc1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)o2)cc1[N+](=O)[O-],OVWLTYMGRQTXEN-UHFFFAOYSA-N
-rxn:4:187592:223975,CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(-c3cn(C(=O)OC(C)(C)C)c4ccc(Cl)nc34)c2)CC1,YBOUAMZIDWUNAH-UHFFFAOYSA-N
-rxn:4:187628:224751,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(F)c(C(=O)N2CCOCC2)c1,SIXLHBSYQVEINW-UHFFFAOYSA-N
-rxn:4:187628:225186,CCOc1cc(S(=O)(=O)N2CC(C)CC(C)C2)ccc1-c1ccc(F)c(CN2CCSCC2)c1,XUQWTQNDCSLMBX-UHFFFAOYSA-N
-rxn:4:187629:223160,CCNC(=O)c1ccc(-c2cc(S(=O)(=O)N(C)C3CCCCC3)c(OC)cc2C)c(F)c1,FSJZAHJQEBTYFW-UHFFFAOYSA-N
-rxn:4:187634:225076,COC(=O)c1ccc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)c2cccnc12,BOGBWIBDZKAFJC-UHFFFAOYSA-N
-rxn:4:187659:223177,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccc(CNS(C)(=O)=O)cc3)cc2)CC1,ULRXPVOQMAKEPM-UHFFFAOYSA-N
-rxn:4:187664:224075,Cc1cc(-c2ccc3ccn([Si](C)(C)C(C)(C)C)c3c2)ccc1C1CCN(C(=O)OC(C)(C)C)CC1,UZHUIAMCZWEJNH-UHFFFAOYSA-N
-rxn:4:187681:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cc1,XKHUHAMFOFUUKI-UHFFFAOYSA-N
-rxn:4:187690:226229,COCCCOc1cccc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2F)c1,KCFJZJDPGOPLSY-UHFFFAOYSA-N
-rxn:4:187694:224059,COc1c(-c2cc(F)cc(-c3c(S(C)(=O)=O)c(C)n(C(C)C)c3-c3ccc(Cl)cc3)c2)cc(C(C)(C)C)cc1C(C)(C)C,HLIDZHPXMHSERX-UHFFFAOYSA-N
-rxn:4:187820:222748,CCOC(=O)CN1C(=O)C(C)(C)c2cc(-c3cccc(C(=O)NCC4CCCO4)c3)ccc21,QSWVHRRGHBZQQH-UHFFFAOYSA-N
-rxn:4:187820:222912,CCOC(=O)CN1C(=O)C(C)(C)c2cc(-c3ccc(S(=O)(=O)NCC(C)C)cc3)ccc21,YEYABBQJFDCETJ-UHFFFAOYSA-N
-rxn:4:187849:223078,CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc3c2CCN3C(=O)OC(C)(C)C)c(C)c1,MYMXVEPRTLEKKZ-UHFFFAOYSA-N
-rxn:4:187863:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3OC)cc1,ITQJIUFSPHHUQC-UHFFFAOYSA-N
-rxn:4:187909:223886,CC(C)N(C(=O)c1ccc2cc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)ccc2c1)C(C)C,WHGUVUIRWYHZFJ-UHFFFAOYSA-N
-rxn:4:187911:223624,C=C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cccc(COc2ccc(C(C)(C)C)cc2C)c1,OGCWBKDWMOGJJJ-UHFFFAOYSA-N
-rxn:4:187957:222977,Cc1ccc(C(=O)NC2CC2)cc1-c1cccc(C=C2Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)c1,QYOROGAIUZOJSB-UHFFFAOYSA-N
-rxn:4:187969:222678,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CNC(=O)OC(C)(C)C)c(F)c3)cccc21,RQKQTEQBBDJQHE-UHFFFAOYSA-N
-rxn:4:187969:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cccc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,BMWDWOISYMIHEL-UHFFFAOYSA-N
-rxn:4:187986:224199,COc1ccc(CN2C3CCC2(c2ccc(-c4ccc(CN5CCN(C(C)=O)CC5)cc4)cc2)CC(=O)C3)cc1,QUWXJGZVLKSUMZ-UHFFFAOYSA-N
-rxn:4:187995:222766,CCc1cc(-c2cccc(C(=O)Nc3cccnc3)c2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,CRTLZMPJPASNFG-UHFFFAOYSA-N
-rxn:4:187999:226631,COc1cc(-c2cncc(-n3cnc(C)c3)c2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,WTLGENJVGFTNHY-UHFFFAOYSA-N
-rxn:4:187999:227242,CCCOc1cccc(F)c1-c1cc(OC)c2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2,XKPSBEJISZNLLE-UHFFFAOYSA-N
-rxn:4:188247:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2c(CC#N)cccc2C(F)(F)F)CC1,SPYJRXGUEPNUFI-UHFFFAOYSA-N
-rxn:4:188538:223526,CSCc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,XAEXVJTVEHKJHI-UHFFFAOYSA-N
-rxn:4:188580:223559,COC(=O)c1nc(OC)ccc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,QHMCTQNFWUTVBO-UHFFFAOYSA-N
-rxn:4:188866:223659,CN(C)C(=O)Oc1ccc(F)c(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,FFUBUAPSVBMSOR-UHFFFAOYSA-N
-rxn:4:189332:223526,CN(C)Cc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,BHFLMDOSUIZIMV-UHFFFAOYSA-N
-rxn:4:189791:224011,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)cc1S(=N)(=O)C1CCC1,QECKQTRTQNQJPO-UHFFFAOYSA-N
-rxn:4:189849:222804,CC(C(=O)c1ccc(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)cc1)N1C(=O)CCC1=O,KMWMNQGLCUZCGR-UHFFFAOYSA-N
-rxn:4:189868:224064,CC1CCCCN1c1cc(-c2ccc(C(=O)N3CCOCC3)cc2C(F)(F)F)cc(C2CC2)c1,GCQZFMZULOHIJF-UHFFFAOYSA-N
-rxn:4:189954:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(C(F)(F)F)cc2CN2CCOCC2)CC1,LVDQRCFUPUYOHA-UHFFFAOYSA-N
-rxn:4:190010:224377,C#CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c2)CC1,VTCVAOIKTRAGIS-UHFFFAOYSA-N
-rxn:4:190016:224702,COc1ccc(-c2cc(F)c(OC3CCCC3)c(F)c2C)cc1S(=O)(=O)N1CCOCC1,OALWXDYTNBEGTL-UHFFFAOYSA-N
-rxn:4:190111:222615,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(CC(C)C)cc(C3CCNCC3)c2)cc1,VNVSAWZOWKLSNC-UHFFFAOYSA-N
-rxn:4:190169:225590,Fc1cc(-c2ccc(C(F)(F)F)cc2CN2CCCC(F)(F)C2)ccc1CN1CCCC1,IWJJBRBTJQXUSN-UHFFFAOYSA-N
-rxn:4:190174:224845,CC(C)(C)c1cc(-c2cc(S(=O)(=O)N3CCCC(C(F)(F)F)C3)c(F)cc2F)cc(C(C)(C)C)c1,TUYDNGDXZADJKG-UHFFFAOYSA-N
-rxn:4:190216:224405,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N1CCCCC1,MTKIKJKDOGCHIN-UHFFFAOYSA-N
-rxn:4:190288:224273,CC1CCCN(C(=O)c2ccc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)c(C(F)(F)F)c2)C1,SVLDBEMXHJCCSE-UHFFFAOYSA-N
-rxn:4:190362:223997,Cc1cc(-c2ccc(C3CCN(CC4CC4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,CBKKOCGNDOYTSO-UHFFFAOYSA-N
-rxn:4:190362:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C2CCN(CC3CC3)CC2)cc1,UGGSLAGNHLUAHL-UHFFFAOYSA-N
-rxn:4:190373:225177,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(CN2CCSCC2)c(F)c1,WZXNLOLORUHTLH-UHFFFAOYSA-N
-rxn:4:190375:223920,COc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)cc2Cl)cc1S(=O)(=O)N1CCCC(C)C1,RIWCZJVLBXVPMM-UHFFFAOYSA-N
-rxn:4:190378:225177,COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1ccc(CN2CCSCC2)c(F)c1,IQYHNEMPFSONBK-UHFFFAOYSA-N
-rxn:4:190379:225177,COc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-c1ccc(CN2CCSCC2)c(F)c1,FCGKDFRBRBZYRT-UHFFFAOYSA-N
-rxn:4:190387:223499,CCC(=O)C1CCCN(c2cccc(C)c2-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1=O,DTTDABYTVJLQJH-UHFFFAOYSA-N
-rxn:4:190406:223922,CN(C(=O)c1cc(-c2ccc(N([Si](C)(C)C)[Si](C)(C)C)cc2)ccc1Cl)C1CCCCC1,UXMBDAOLROYLDS-UHFFFAOYSA-N
-rxn:4:190438:223997,Cc1cc(-c2ccc(C3CCN(CC4CCC4)CC3)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,PLJKFSOHIYFZMC-UHFFFAOYSA-N
-rxn:4:190438:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(C2CCN(CC3CCC3)CC2)cc1,GHMGTCMUTZLOPE-UHFFFAOYSA-N
-rxn:4:190438:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C2CCN(CC3CCC3)CC2)cc1,QPRQCTQNTIUZFE-UHFFFAOYSA-N
-rxn:4:190441:225186,COc1ccc(-c2ccc(F)c(CN3CCSCC3)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1,PYJUTWQJMFFLDQ-UHFFFAOYSA-N
-rxn:4:190444:225825,Cc1cc(S(=O)(=O)N2CCOCC2)c(C(C)C)cc1-c1ccc(N2CCN(C)CC2)nc1,LODNKQRKHAQVIN-UHFFFAOYSA-N
-rxn:4:190463:224782,COc1cc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)cc1-c1cc(F)c(F)c(N2CCN(C)CC2)c1,QFESPOTYNFHJHZ-UHFFFAOYSA-N
-rxn:4:190472:223474,CCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1-c1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1,LYPYYCRFRQIUFB-UHFFFAOYSA-N
-rxn:4:190497:225195,CC1CCCN(Cc2cc(-c3ccc(F)c(OC4CCCCO4)c3)cc(C(C)(C)C)c2)C1,QLQSHYWCFCDNCA-UHFFFAOYSA-N
-rxn:4:190744:223687,CCOC(=O)c1cnc2c(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c(C)ccc2c1Cl,ZZLQCYCAHSXNLD-UHFFFAOYSA-N
-rxn:4:190828:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)C3)ccc1F,YKWVCDWJZRGOKL-UHFFFAOYSA-N
-rxn:4:190830:222725,CCNS(=O)(=O)c1ccc(-c2cccc3c2C(=O)N(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c1,LBKQDKFVOWWURV-UHFFFAOYSA-N
-rxn:4:190860:222725,CCNS(=O)(=O)c1ccc(-c2ccc3c(c2F)CCN3C(=O)OC(C)(C)C)c(C(F)(F)F)c1,WIIFHNVBZUMJKI-UHFFFAOYSA-N
-rxn:4:190871:224774,COc1ccc(-c2ccc(N3CCCC3)c(C(F)(F)F)c2)c2c1CCN(C(=O)C(F)(F)F)CC2,KXYXQELSTAOOOL-UHFFFAOYSA-N
-rxn:4:190897:224819,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1,GJKDKNZJONTASQ-UHFFFAOYSA-N
-rxn:4:190926:224863,CC(C)N(Cc1ccccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2=O)C(C)C,YTHWRYWPYUOHRN-UHFFFAOYSA-N
-rxn:4:190932:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)C(=O)CN(C(=O)OC(C)(C)C)C3)cc1,BUWCINSBSSPFFI-UHFFFAOYSA-N
-rxn:4:190932:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)CN(C(=O)OC(C)(C)C)C3)c1,GPBCXSLXBIIEDG-UHFFFAOYSA-N
-rxn:4:190953:222751,Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1NC(=O)OC(C)(C)C,GXABRWUFOWCMOR-UHFFFAOYSA-N
-rxn:4:190975:222824,Cc1cc(F)c(-c2ccc3c(c2)C(F)(F)CCN3C(=O)OC(C)(C)C)cc1S(=O)(=O)NC(C)C,OGICWGHMNXDPGG-UHFFFAOYSA-N
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-rxn:4:199777:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(CC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)cc1,VEIIZIADZYYRFZ-UHFFFAOYSA-N
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-rxn:4:199857:224309,Cc1ccc(Sc2c(C)nn(C(C)(C)C)c2OC(=O)c2cccc(-c3c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c3F)c2)cc1,XXYKLIBDGALGJA-UHFFFAOYSA-N
-rxn:4:199867:225037,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccc(Oc3ccccc3)cc2F)c(C2OCCO2)c1,LNDOHDQMQZVASZ-UHFFFAOYSA-N
-rxn:4:199892:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(C(=O)CC#N)cn(C(=O)OC(C)(C)C)c3c2)s1,MHMJZJQSLDUUFT-UHFFFAOYSA-N
-rxn:4:199947:224842,CCCCN1C(SCc2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)=NS(=O)(=O)c2ccccc21,FAPHTKHMESUXCO-UHFFFAOYSA-N
-rxn:4:199961:225977,CCCCOC(=O)c1cc(N2CCOCC2)c2cc(-c3cc(Cl)cnc3N3CCOCC3)ccc2n1,NMWSCJCILIRSOJ-UHFFFAOYSA-N
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-rxn:4:202740:224076,COc1ccc(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)c(C(=O)N2CCC(N3CCc4sccc4C3)CC2)c1,FEIVULHDZJROOB-UHFFFAOYSA-N
-rxn:4:202794:222774,COC(=O)c1ccc(C2Oc3ccc(-c4ccc(F)c(CN5CCC(O)CC5)c4)cc3C3CC(c4ccc(C)o4)=NN32)cc1,JNHOREKNPPFYSA-UHFFFAOYSA-N
-rxn:4:202798:223885,COC(=O)c1ccc(C2c3c(oc4ccc(-c5ccc6c(c5)CN(C(=O)OC(C)(C)C)CC6)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1,RFOJNNMVTOHSNZ-UHFFFAOYSA-N
-rxn:4:202807:226164,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(N3CCCCC3)cc2)cc1,FIZRWIDSIXNZPF-UHFFFAOYSA-N
-rxn:4:203245:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2nc(C(=O)ON3C(=O)CCC3=O)ccc2F)c(F)c1,KNMAQXMTVNGQLG-UHFFFAOYSA-N
-rxn:4:203403:223823,COC1CN(C(=O)c2ncc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2F)C1,IOJUGLHAPUJZDN-UHFFFAOYSA-N
-rxn:4:203642:224394,COC(=O)c1cc(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cnc1N1CCOCC1,BLQUUFPJLWRCGQ-UHFFFAOYSA-N
-rxn:4:203686:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cncc(CC(=O)N4CCCC(F)(F)C4)c3)c(F)cn2)CC1,WXXNOHWENLICDK-UHFFFAOYSA-N
-rxn:4:203693:224621,N#Cc1ccc(-c2ccc(OCCN3CCSCC3)cc2)cc1N1CCCC(C(F)(F)F)C1,ODAWELADKRUDLU-UHFFFAOYSA-N
-rxn:4:203797:223901,CC1CCN(CCOc2ccc(-c3ccc(/C(C=[N+](C)C)=C/N(C)C)cc3)cc2Cl)CC1,YWAYQQYKCNZVBV-UHFFFAOYSA-N
-rxn:4:203797:223902,CC1CCN(CCOc2ccc(-c3ccc(/C(C=[N+](C)C)=C/N(C)C)cc3)cc2F)CC1,DBJCCIPVJYKTAS-UHFFFAOYSA-N
-rxn:4:203812:224187,CC(=O)N1CCN(Cc2cc(Cl)ccc2-c2ccc(OCCN3CCCCC3)cc2F)CC1,RCWPSUFGKJONCN-UHFFFAOYSA-N
-rxn:4:203832:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccc(C(=O)N2CCN(C)CC2)c(C(F)(F)F)c1,BWMQLICCFFCTHJ-UHFFFAOYSA-N
-rxn:4:203882:223581,CCN1CCN(S(=O)(=O)c2ccc(-c3cc4cccc(C(=O)OC)c4n3C(=O)OC(C)(C)C)cc2)CC1,DPIKHZNJMLEMDY-UHFFFAOYSA-N
-rxn:4:203940:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1N1CCN(S(=O)(=O)C2CC2)CC1,PWMZFJVKBMUYJE-UHFFFAOYSA-N
-rxn:4:203965:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)cc2Cl)c1,QGTLURXPFBQABT-UHFFFAOYSA-N
-rxn:4:204027:225380,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1ccccc1-c1ccc(C(F)(F)F)cc1C(F)(F)F,OOSLPJQOLCFSIY-AWEZNQCLSA-N
-rxn:4:204035:222813,CN(C)C1CCN(c2cc(-c3cnc(NC(=O)OC(C)(C)C)c(Cl)c3)ccc2C(F)(F)F)CC1,QZBZEVJSHOXULH-UHFFFAOYSA-N
-rxn:4:204041:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(C(=O)N4CCN(c5ccccc5)CC4)c3)c2)CC1,VJHNDSPONPRKCH-UHFFFAOYSA-N
-rxn:4:204053:224493,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(CN3CCCC3)c(N3CCCC3)c2)cc1,QDZGNNDSLMRQOT-UHFFFAOYSA-N
-rxn:4:204067:223550,CC(C)c1cccc(C(C)C)c1OCc1ccccc1-c1ccc(CN2CCCC2)c(N2CCOCC2)c1,SXNHFRWXNAQTLK-UHFFFAOYSA-N
-rxn:4:204068:224774,CC(C)(C)C(=O)N1CCN(c2ccc(-c3ccc(N4CCCC4)c(C(F)(F)F)c3)cc2)CC1,YZHFOJSGELDQOI-UHFFFAOYSA-N
-rxn:4:204071:224828,CCOc1cc(OC(F)(F)F)cc(-c2ccc(CN3CCOCC3)c(N3CCCC3)c2)c1F,UIWJSLYFQGOOHF-UHFFFAOYSA-N
-rxn:4:204075:226031,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(C(F)(F)F)cc3C(F)F)cc2C)CC1,OMUAVAWQABYXBI-UHFFFAOYSA-N
-rxn:4:204101:224818,O=C(c1cccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c1)N1CCC(N2CCCC2)CC1,NQXOOGDRBAMICH-UHFFFAOYSA-N
-rxn:4:204107:224394,Cc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCOCC5)c4)cc3)=NC2(C)C)cc1,ZOHKDJFMBZGJHF-UHFFFAOYSA-N
-rxn:4:204112:224288,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(CN3CCCC3)c(N3CCCCC3)c2)c(Cl)c1,YSBDENUVWUCTIM-UHFFFAOYSA-N
-rxn:4:204127:224598,COc1cc(N2CCC(C)CC2)ccc1-c1ccc(C2=NC3(CCCC3)N(C(=O)c3ccccc3)C2=S)cc1,UTIXQVQKTYNVDD-UHFFFAOYSA-N
-rxn:4:204157:223528,Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)CC1,MHVWONIZMYNJCO-UHFFFAOYSA-N
-rxn:4:204167:225215,CC1CCN(c2nccc(-c3ccc(CN4CCCC(C)C4)c(N4CCOCC4)c3)c2Cl)CC1,QQGKOWBAJIYSKI-UHFFFAOYSA-N
-rxn:4:204174:223573,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc3C)CC2)cc1Cl,DZTLDCDRVVZPHV-UHFFFAOYSA-N
-rxn:4:204179:224270,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4cn(C(=O)OC(C)(C)C)c5ncccc45)cc3C)CC2)cc1C,HEXRUTMSPDEBLG-UHFFFAOYSA-N
-rxn:4:204184:226295,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1cc(F)ccc1COC(C)C,XCPMDLZNOHIXPE-UHFFFAOYSA-N
-rxn:4:204302:223602,CCOC(=O)c1cn2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)c(F)cc2n1,XAMPXTILNQAZDA-UHFFFAOYSA-N
-rxn:4:204403:223559,COCn1ncc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1C12CCCC1O2,KLWJNWQXMSVLKM-UHFFFAOYSA-N
-rxn:4:204600:224595,COc1cc(N2CCCC(C)C2)ccc1-c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2,DCKVZQHNSNALTC-UHFFFAOYSA-N
-rxn:4:204648:222694,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)o1)N1CC(N2CCc3sccc3C2)C1,BYSBMNDBSWRKGG-UHFFFAOYSA-N
-rxn:4:204681:224172,CN(Cc1cccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)c1)C(=O)OC(C)(C)C,MFYWZMOFXHAMIY-UHFFFAOYSA-N
-rxn:4:204719:224268,CCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)ccc21,XOJKTQPEZRSCKE-UHFFFAOYSA-N
-rxn:4:204754:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(C(=O)N=C4SC5CS(=O)(=O)CC5N4c4ccc(Cl)cc4)cc3)cnc21,FJLACUKQJLQNDG-UHFFFAOYSA-N
-rxn:4:204786:224189,COc1cc(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccccc43)c2)ccc1O[Si](C)(C)C(C)(C)C,XNZTVYWWGIMEDU-UHFFFAOYSA-N
-rxn:4:204817:222521,Cc1ccccc1N1C(=O)N(Cc2cccc(-c3cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c3)c2)c2ccccc2S1(=O)=O,ZRGVTWJNKGSHHH-UHFFFAOYSA-N
-rxn:4:204875:224987,O=C1C2C(c3ccc(-c4ccc(-n5cccn5)cc4C4CC4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc([N+](=O)[O-])cc1,IVXUUERADZYBMM-UHFFFAOYSA-N
-rxn:4:204898:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cccc3[nH]c4c(c23)CN(C(=O)OC(C)(C)C)CC4)c1,UREDYKSZRLBAFQ-UHFFFAOYSA-N
-rxn:4:204955:226544,COC(=O)c1ccc(-c2ccc3c(c2)C2CC(c4ccc(OC)cc4)=NN2C(C2CCCCC2)O3)c(OC)c1,CCBYLWZVKKPWME-UHFFFAOYSA-N
-rxn:4:206220:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C(=O)N4CCCC4)c(F)c3)s2)CC1,QUHZBWGEKQEOLM-UHFFFAOYSA-N
-rxn:4:206487:223787,CCc1nc(N2CCOCC2)sc1-c1ccc(OCCCN2CCN(C)CC2)c(F)c1,YKMKNMXDDCZGNI-UHFFFAOYSA-N
-rxn:4:206575:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C(=O)N4CCCCC4)ccn3)cc2F)CC1,XNQUDAKHZSYESA-UHFFFAOYSA-N
-rxn:4:206622:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)N4CCC(F)(F)CC4)n3)cc2F)CC1,NWJVJDLQVGIAOH-UHFFFAOYSA-N
-rxn:4:206736:224330,O=C1CCN(C(=O)c2cc(-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)ccc2Cl)CC1,FGRVWBRGPKPQGS-UHFFFAOYSA-N
-rxn:4:206758:224411,CN(C)S(=O)(=O)c1ccc(-c2cc(Cl)cnc2N2CCC(C(F)(F)F)CC2)c(C(F)(F)F)c1,HACOGAVVBLQQJI-UHFFFAOYSA-N
-rxn:4:206797:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CN(S(C)(=O)=O)CCO4)nc3)cn2)CC1,GLHMKNNOQLWGJK-UHFFFAOYSA-N
-rxn:4:206847:223997,CC(=O)N1CCC(c2ccc(-c3cc(C)c(S(=O)(=O)N4CCOCC4)c(C)c3)cn2)CC1,KMFMDCJYFSCBLT-UHFFFAOYSA-N
-rxn:4:206990:225056,CC1CCCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)c(F)c2)C1,HIHJNPPYUINVHE-UHFFFAOYSA-N
-rxn:4:207077:223553,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(-c3cncc(C(=O)N4CCC(=C5CCC5)CC4)c3)cc2)cc1,NNNCRROOJBZASV-UHFFFAOYSA-N
-rxn:4:207081:225877,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccc(Cl)cc3N3CCOCC3)c1)C2,VMYUXQKBNMFKPL-UHFFFAOYSA-N
-rxn:4:207081:225898,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3cnn(CCN4CCOCC4)c3)c1)C2,UPRIXZRWDZGMQE-UHFFFAOYSA-N
-rxn:4:207086:224991,Cc1cc(-c2cc(C3CC3)nc(N3CCCC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,RJVGCBCVYJDSTE-UHFFFAOYSA-N
-rxn:4:207449:223559,COC(=O)c1c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc2c1c(C)nn2C,BJMCIZDBWNIKBT-UHFFFAOYSA-N
-rxn:4:207769:226126,CCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3ccc(C4CC4)c(COC)c3)ccc21,WCKYPDCPMYJPAI-UHFFFAOYSA-N
-rxn:4:207854:225641,CC1CCCN(c2cc(-c3ccc4c(c3)CCN4C3CCN(C4CCC4)CC3)ccn2)C1,FQACVRNLJRRLBF-UHFFFAOYSA-N
-rxn:4:207856:225470,CC1CCN(c2ccc(-c3ccc4c(c3)CCCC4N3CCN(C(C)C)CC3)cc2)CC1,IQVHPVVYCQPKPL-UHFFFAOYSA-N
-rxn:4:207890:224011,Cc1c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)cnn1CC12CC3CC(CC(C3)C1)C2,ZYDVLKITNIJGHR-UHFFFAOYSA-N
-rxn:4:207959:225638,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(N5CCC(C)CC5)nc4)ccc2OC3C2CCCCC2)cc1,MQILWEBZTSEDDT-UHFFFAOYSA-N
-rxn:4:209592:223598,Fc1cc(-c2cnc(N3CCC(F)(F)C3)c(Cl)c2)ccc1OCCN1CCC2(CC1)OCCO2,ZPEIEMMZCGPKFU-UHFFFAOYSA-N
-rxn:4:209813:223687,Cc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cnc1N1CCCCC1=O,MYRDAHDJHLLWGA-UHFFFAOYSA-N
-rxn:4:211101:224171,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OCCCN5CCCC5)c(F)c4)ccc2OC32CCC(C)CC2)cc1,BJPIQQLDQUTUCW-UHFFFAOYSA-N
-rxn:4:211101:224849,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCC5)cc(C5CC5)c4)ccc2OC32CCC(C)CC2)cc1,JREIFKPNDRCDTR-UHFFFAOYSA-N
-rxn:4:212552:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cccnc2OC2CCN(C(=O)CSc3ccncc3)C2)cc1,RJYQRQFEHYRMDK-UHFFFAOYSA-N
-rxn:4:212585:222820,CC(C)N(Cc1c(-c2ccc(S(=O)(=O)NC(C)(C)C)c(F)c2)cnn1C)C(=O)OC(C)(C)C,XJZXHXJNNUJZMO-UHFFFAOYSA-N
-rxn:4:212586:223527,COc1cccc(C(=O)N2CC(Cn3cc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)c1OC,YXTFBKFZWZUNPR-UHFFFAOYSA-N
-rxn:4:212587:223505,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn3)C2)cc1,OMTZAGUZFUGPDU-UHFFFAOYSA-N
-rxn:4:212600:224821,O=C(COc1ccccc1)N1CCCC(Oc2ncc(-c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)cn2)C1,OWCLNWUQQUVPHC-UHFFFAOYSA-N
-rxn:4:212604:225288,Cc1ccc(C(=O)N2CCN=C2SCc2ccc(-c3ccc(OC(C)C)cc3C(F)(F)F)cc2)cc1[N+](=O)[O-],WMVAFFXQPSTPEO-UHFFFAOYSA-N
-rxn:4:212642:224163,Cc1c(-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)o2)ccc2c1cnn2C1CCCCO1,VPJIUBMTXALSMI-UHFFFAOYSA-N
-rxn:4:212643:224064,COc1ccc(CC(=O)N2CCC(Oc3ncc(-c4cc(C5CC5)cc(N5CCCCC5C)c4)cn3)CC2)cc1,JKKNYNAXQRGBSJ-UHFFFAOYSA-N
-rxn:4:212649:222713,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cc(OC)ccc3S(=O)(=O)NC(C)(C)C)cn2)C1,IBDHJORVJKOLBD-UHFFFAOYSA-N
-rxn:4:212665:222677,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3ccc(F)cc3CNC(=O)OC(C)(C)C)cn2)C1,CKLVPRAXKPKFFM-UHFFFAOYSA-N
-rxn:4:212666:222772,COc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(Cl)c(C(=O)NC5CCCC5)c4)cn3)CC2)cc1,HZBDSPMCBOPDHF-UHFFFAOYSA-N
-rxn:4:212668:225762,CCOc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3cc(Cl)c(F)c(OCC(C)C)c3)cn2)CC1,MEVIYXBAHOLGJU-UHFFFAOYSA-N
-rxn:4:212691:227744,CN(C(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1,BIIJGBZPQPPRFB-UHFFFAOYSA-N
-rxn:4:212692:227681,COC(Cn1cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cn1)OC,VRHYUKYQJRKDRR-UHFFFAOYSA-N
-rxn:4:212696:224502,CN1CCCCC1COc1cccc(-c2ccc(C(=O)N3CCC(COc4ccc(C5CC5)nn4)CC3)cc2)c1,PGKAKJGHBJOYPK-UHFFFAOYSA-N
-rxn:4:212706:224329,COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)C(c3ccc(-c4ccc(C(=O)N5CCC(=O)CC5)c(F)c4)cc3)C2)cc1,UKNPTBOJYXSDLF-UHFFFAOYSA-N
-rxn:4:212710:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(CC(=O)N4CCC(COc5ncnc(C)c5C)CC4)cc3)cc2)CC1,VGXNDJOEFWKFEM-UHFFFAOYSA-N
-rxn:4:212747:229028,Cc1cc(Cl)ccc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCOCC2)c1,PQLJTBFUZKTHHT-UHFFFAOYSA-N
-rxn:4:212751:225912,CCCOc1c(F)cc(F)c(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1F,JOLUIPWRQSIYEY-UHFFFAOYSA-N
-rxn:4:212831:224975,CCN1CCN(c2ccc(-c3ccc4c(c3)C(c3ccccc3)N(CC(=O)OC)C(CN3CCOCC3)=N4)cc2)CC1,NWCCAUACSJWNRJ-UHFFFAOYSA-N
-rxn:4:212841:224360,COC(=O)c1ccc(-c2ccc(OC)c(-c3nc(CSc4nc5ccccc5c(=O)n4C4CCCC4)c(C)o3)c2)n1C(=O)OC(C)(C)C,IKZQTZRUQVEFAG-UHFFFAOYSA-N
-rxn:4:212923:222829,CNS(=O)(=O)c1ccc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)c(C(F)(F)F)c1,OIXDWRUFKZJXGR-UHFFFAOYSA-N
-rxn:4:212944:226794,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cnc(N3CCSCC3)nc2)CC1,BHOINXRQMLLJJQ-UHFFFAOYSA-N
-rxn:4:212964:223926,CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)cn2)C1,MHTVKJKTDWHUNO-UHFFFAOYSA-N
-rxn:4:212973:223960,CCN1CCN(C(=O)c2cc(-c3cccnc3OC3CCN(C(=O)CN4CCOC4=O)C3)ccc2F)CC1,SJALNNSWTNHQFW-UHFFFAOYSA-N
-rxn:4:213011:225518,CCCCCOc1ncc(C)cc1-c1cnc(OCC2CCCN(C(=O)C(C)C)C2)nc1,VIPNNHOOQOHQOE-UHFFFAOYSA-N
-rxn:4:213011:225975,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,DMOWTLJXSIAILI-UHFFFAOYSA-N
-rxn:4:213013:225172,CCC(C)C(=O)N1CCC(Oc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)CC1,HDZREVATKIAVBJ-UHFFFAOYSA-N
-rxn:4:213053:225220,CC1CCCCN1c1ncc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)cc1Cl,BVZVPBLFZOSQRB-UHFFFAOYSA-N
-rxn:4:213057:224367,CCc1ncnc(OC2CCN(C(=O)c3ccccc3-c3ccc(OC(F)(F)F)c(OCC(C)C)c3)C2)c1F,AHAHDHPLCBOXDK-UHFFFAOYSA-N
-rxn:4:213060:222514,COc1ccc(-c2ccc(C(=O)N3CCN(Cc4nc(-c5ccco5)cs4)CC3)o2)cc1S(=O)(=O)NC1CCCCC1,COCMIRXKECWRRW-UHFFFAOYSA-N
-rxn:4:213075:223928,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)n2)CC1,WEFRVITYSCIQAQ-UHFFFAOYSA-N
-rxn:4:213077:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)F)c1,ATGUCQDPBJLWFG-UHFFFAOYSA-N
-rxn:4:213092:224160,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c2)CC1,IUSPYCBEXDXLIP-UHFFFAOYSA-N
-rxn:4:213116:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)c1,CQNGANXUXIEIBQ-UHFFFAOYSA-N
-rxn:4:213132:225877,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,HRZRXNVNYPZMML-UHFFFAOYSA-N
-rxn:4:213138:224718,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(OCCN4CCOCC4)nc3)cnc2F)CC1,AAVRMPAKPVMESS-UHFFFAOYSA-N
-rxn:4:213156:223687,Cc1cccc(COC(=O)c2nnn(-c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)c(C)c3)c2C)c1,UBLFIRGTDGOLBZ-UHFFFAOYSA-N
-rxn:4:213203:225218,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCC(C)C5)c(Cl)c4)cc3)CC2)nn1,FCVCKSKFVXCTGQ-UHFFFAOYSA-N
-rxn:4:213204:224764,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3-c3ccc(C(=O)N4CCOCC4)cc3F)C2)nc1,AIYPDSORCDWLQX-UHFFFAOYSA-N
-rxn:4:213214:224158,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)n2)CC1,AOCHXURLTRFSLO-UHFFFAOYSA-N
-rxn:4:213218:225557,COC(=O)C1(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)[C@@H](C)C4)nc3)cc2)CC1,CSUHJSZGMYOLAZ-IBGZPJMESA-N
-rxn:4:213228:222883,CC1CN(S(=O)(=O)c2cncc(-c3ccc(C(=O)NC(C)(C)C)cc3Cl)c2)CCN1C(=O)OC(C)(C)C,WJJNVOODFHJZLM-UHFFFAOYSA-N
-rxn:4:213243:224669,CN1CCN(Cc2ccc(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)c(F)c2)CC1,VQCTYXQCZOHGGX-UHFFFAOYSA-N
-rxn:4:213265:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,OZYFUIMVFOQUJY-UHFFFAOYSA-N
-rxn:4:213289:223153,CCNC(=O)c1cc(-c2cnc(C(C)(C)C)nc2C2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl,NRKINWYYJYUHNH-UHFFFAOYSA-N
-rxn:4:213316:223788,CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(-c4ccc(OC5CN(C(=O)OC(C)(C)C)C5)cc4)cc3)nc12,SGROUPREFRSRJC-UHFFFAOYSA-N
-rxn:4:213337:222887,CCCCC(=O)N1CCN(c2nc3ccc(-c4cccc(C(=O)N5CCNCC5)c4)cc3s2)CC1,LVFPQTPRRZSLSO-UHFFFAOYSA-N
-rxn:4:213355:224484,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4ccccc4C(=O)N(C(C)C)C(C)C)cc3nn2C)C1,UIETXKNAZLCVMF-UHFFFAOYSA-N
-rxn:4:213395:224188,CC(C)N(C(=O)c1ccc(-c2ccc3ccn(CC(=O)N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)c3c2)c(Cl)c1)C(C)C,MVUNXLDVRMLDOQ-UHFFFAOYSA-N
-rxn:4:213438:225369,COC(=O)c1cc(-c2ccccc2S(=O)(=O)n2cc(CN3CCN(C)CC3)c3cc(OC)ccc32)c(Cl)c([N+](=O)[O-])c1,CKXFZFPMCFORHJ-UHFFFAOYSA-N
-rxn:4:213439:226355,COc1cc(Cl)c(-c2cccc3c2ccn3CC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)cc1C1CC1,PLLXTFDPFGUONJ-UHFFFAOYSA-N
-rxn:4:213453:225175,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4ccc(F)c(CN5CCOCC5)c4)cc3)N2C1=O,MOFOIKFUMIBTKO-UHFFFAOYSA-N
-rxn:4:213474:226553,COC(=O)c1c(OC)cccc1-c1ccc2c(c1)C(F)(F)c1cc(-c3cnc([C@@H]4CC5(CC5)CN4C(=O)OC(C)(C)C)[nH]3)ccc1-2,FKFQKNNOXCLJFI-NDEPHWFRSA-N
-rxn:4:213480:222771,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c(C(=O)NC5CCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LCDNTSPCOHNXHS-KIESAQMKSA-N
-rxn:4:213480:224683,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,AEFSMDPFRMUXDF-NXEFQXHYSA-N
-rxn:4:213480:225900,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc([N+](=O)[O-])ccc4CN(C)C)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,CKNVSLFVPHGUKG-NESADOAFSA-N
-rxn:4:213481:223522,COC12CC(COC(=O)c3cncc(-c4cc(F)cc(N5CCC(O[Si](C)(C)C(C)(C)C)CC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,QEGBJBGZATUGAF-UHFFFAOYSA-N
-rxn:4:213512:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(OCCN(C)C)nn1,QTOIGAQNRFZULK-UHFFFAOYSA-N
-rxn:4:213571:223761,CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2cnc(OCCN3CCCC3)nc2)cc1,SOBXTDXMDKELLW-UHFFFAOYSA-N
-rxn:4:213652:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(Oc2cnsn2)C1,RLMJKCIPWWZBGX-UHFFFAOYSA-N
-rxn:4:213752:222447,CCCN1CCN(Cc2ccc(-c3c(OC)ccc4c3N=C(NC(=O)OC(C)(C)C)C4)nc2)CC1,QAADWOLRXZQRJM-UHFFFAOYSA-N
-rxn:4:213752:223900,CCCN1CCN(Cc2ccc(-c3ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c3)nc2)CC1,OSMUETSRPSJYLJ-UHFFFAOYSA-N
-rxn:4:213755:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)s1,CEWKMRRECXPGKH-UHFFFAOYSA-N
-rxn:4:213755:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,UOLASBXITDFETG-UHFFFAOYSA-N
-rxn:4:213840:222827,CC(C)(C)OC(=O)N1CCCC(n2ccnc2-c2cc(F)c(S(=O)(=O)NC3CC3)cc2F)C1,GBIFYPHTPRSUMT-UHFFFAOYSA-N
-rxn:4:213842:223896,COc1cccc(-c2cncc(CC(=O)N3CCN(C(C)C)CC3)c2)c1C(=O)N(C(C)C)C(C)C,GAGIGORDNMCAGX-UHFFFAOYSA-N
-rxn:4:213898:226034,COc1c(Cl)cc(-c2cnc(OC3CCN(C(=O)C(C)(C)C)CC3)nc2)cc1C(F)(F)F,RJYIEZVTFPDTIZ-UHFFFAOYSA-N
-rxn:4:214029:227500,CCN(C)c1ncc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)cc1Cl,UKACZPUOTYPKQC-UHFFFAOYSA-N
-rxn:4:214080:222583,CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3)CC2)n1,GWHTVNJHABZVBI-UHFFFAOYSA-N
-rxn:4:214144:224420,Cc1cc2c(cc1-c1c(C#N)cnc3c1CCN(C(=O)OC(C)(C)C)C3)C(C)(C)CCC2(C)C,IJERWPWGHJZXPY-UHFFFAOYSA-N
-rxn:4:214232:222589,O=C(C1CCCc2ccccc21)N1CC(Cn2cc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)cn2)C1,SBFTZXOYJFPDDU-UHFFFAOYSA-N
-rxn:4:214254:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)c1,KMLNENGBKCBLNY-UHFFFAOYSA-N
-rxn:4:214296:225313,CN1CCN(c2ccc(-c3ccc4nccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4c3)c(F)n2)CC1,YEGFXUZADMBYCF-UHFFFAOYSA-N
-rxn:4:214302:222742,COc1ccc2cc(C3CC(c4ccc(-c5cc(C6CCNCC6)nc(C6CC6)c5)cc4)=NN3S(C)(=O)=O)c(Cl)nc2c1,QWIIJGBDXGXUFG-UHFFFAOYSA-N
-rxn:4:214388:224678,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(F)c(C(=O)N5CCCCC5)c4)c(OC)cc12)CC3,KRLLIKDBOXXIMH-UHFFFAOYSA-N
-rxn:4:214477:222647,Cc1cc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)c(C)cc1NC(=O)OC(C)(C)C,YUVVZYVXZUJXPC-UHFFFAOYSA-N
-rxn:4:214477:224188,CC(C)N(C(=O)c1ccc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)c(Cl)c1)C(C)C,VROGIMHXWWMDTM-UHFFFAOYSA-N
-rxn:4:214585:222604,COc1ccc(-c2ncccc2CN2CC(S(N)(=O)=O)C2)cc1S(=O)(=O)NC1CCCC1,PWYGFFOGHDDYAO-UHFFFAOYSA-N
-rxn:4:214609:223997,Cc1cc(-c2cncc(C(=O)N3CCC(C#N)CC3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,WUPWFMWEMOVXPE-UHFFFAOYSA-N
-rxn:4:214628:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCN(c4nccs4)C(=O)C3)o2)CC1,XBPWUDFTQIQQIB-UHFFFAOYSA-N
-rxn:4:214686:223687,Cn1cc(-c2cc(C(=O)N3CCC3)cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2)cn1,MSDHLGNBGNFEAA-UHFFFAOYSA-N
-rxn:4:214694:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cnn(CC3CN(C(C)C)CCO3)c2)c1,SEMGODRFXDCWCL-UHFFFAOYSA-N
-rxn:4:214694:222723,CC(C)N1CCOC(Cn2cc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,FHXHDTMYSBQWGK-UHFFFAOYSA-N
-rxn:4:214698:224267,CCCc1nc(N2CCN(C)CC2)sc1-c1cccc(N2CCC3(CC2)OCCO3)c1,MQKQMMNRXAEQFB-UHFFFAOYSA-N
-rxn:4:214700:223650,CCN1CCN(Cc2cncc(-c3ccccc3N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,IDILDEKAWBSWFI-UHFFFAOYSA-N
-rxn:4:214748:224194,CCN1CCN(Cc2ccc(-c3cc(C#N)ccc3N3CCC(N(C)C)CC3)cc2Cl)CC1,SKUFQHYJBQLCIX-UHFFFAOYSA-N
-rxn:4:214835:225080,COC(=O)C1CCc2cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)ccc2O1,QIPDHOIQSLZYAN-UHFFFAOYSA-N
-rxn:4:214836:226088,CCN(CC)Cc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1,UTANEWKIKOEFKL-UHFFFAOYSA-N
-rxn:4:214837:226271,CN(C)C(C#N)c1ccccc1-c1cnc(N2CCOC(C(=O)N3CCSCC3)C2)c(Cl)c1,RBPIYQQNLZJWSW-UHFFFAOYSA-N
-rxn:4:214838:225166,O=C(c1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1F)N1CCCC1,AZJLIDDDWNIBKC-UHFFFAOYSA-N
-rxn:4:214839:223945,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc2F)CCO1)N1CCSCC1,IUAMRIYWYLEJML-UHFFFAOYSA-N
-rxn:4:214853:224406,N#Cc1c(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cccc1N1CCN(C2CCCC2)CC1,GPOGWTBXMPQNHL-UHFFFAOYSA-N
-rxn:4:214862:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CCCN(C2CCSC2)CC1,DSFCZUJMJOFSQO-UHFFFAOYSA-N
-rxn:4:214873:226110,Cc1ccc(OCC(C)C)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)c1,VCYBQDFYOFMFEV-UHFFFAOYSA-N
-rxn:4:214874:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(F)c3)c(Cl)c2)CC1,WQHIFNDKQXCOAB-UHFFFAOYSA-N
-rxn:4:214874:226780,COc1c(F)cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)c(OC)c1Cl,JXFOUTRDENHQIY-UHFFFAOYSA-N
-rxn:4:214880:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1C,DMLMLCBLPVCSEG-UHFFFAOYSA-N
-rxn:4:214884:228954,O=C(C1CCN(c2ncc(Cl)cc2-c2cc(F)c(F)c(Cl)c2)CC1)N1CCC(F)(F)CC1,RQLHUDUFELLCJT-UHFFFAOYSA-N
-rxn:4:214896:227948,Cc1cc(-c2cc(C3CC3)cnc2C)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,VKSVLXNCLGSSBU-UHFFFAOYSA-N
-rxn:4:215027:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnn3c2N(C(=O)OC(C)(C)C)CC3)cc1,HCEMKJLYDIKWAR-UHFFFAOYSA-N
-rxn:4:215098:223587,COc1cc(COc2ccc(F)c(-c3nn(C)c4c3CN(C(=O)OC(C)(C)C)CC4)c2F)cc(OC)c1,QFPGGANXJSWAMK-UHFFFAOYSA-N
-rxn:4:215105:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)c1,ZFMLZGXWQHAJJO-UHFFFAOYSA-N
-rxn:4:215197:222624,CC(C)Cc1cc(-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)cc(C2CCNCC2)n1,MQTPHROVIKHSJW-UHFFFAOYSA-N
-rxn:4:215198:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)sc4c3)c(F)c2)CC1,MSKHYABRZVFEOV-SOHZNPICSA-N
-rxn:4:215215:222451,COc1ccc(CNS(=O)(=O)c2ccc(-c3ccc4ccc(N5CCOC(C(=O)N6CCCC6)C5)nc4c3)cc2)cc1,KQPMBNHWQRTFDH-UHFFFAOYSA-N
-rxn:4:215309:226866,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3cc(Cl)cc(OC(F)(F)F)c3)cccc1-2,IDQCISDVINAUGV-IBGZPJMESA-N
-rxn:4:215509:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(N4CC(C#N)C4)nc3)c2)CC1,BZTWZKULRNQOLL-UHFFFAOYSA-N
-rxn:4:215789:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cncc([N+](=O)[O-])c2N2CCCCC2)CC1,KQEDGBGNTHSPQH-UHFFFAOYSA-N
-rxn:4:215898:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(C4CCN(S(C)(=O)=O)CC4)cn3)c2Cl)CC1,CROCTNZHQFPGIY-UHFFFAOYSA-N
-rxn:4:215945:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(N2CCC(N(C)C)CC2)ccn1,CFEVDGKETKPZFO-UHFFFAOYSA-N
-rxn:4:215959:224800,Cc1cc([N+](=O)[O-])c(N2CCN(C)CC2)cc1-c1ccc(OC(F)(F)F)c(OC(C)C)c1,JYJUMLDKOTUINV-UHFFFAOYSA-N
-rxn:4:215962:222714,CC1CCCCN1c1cc(C2CC2)nc(-c2cc(NC(=O)OC(C)(C)C)cc(F)c2F)n1,BNPSSYLMWVHIOG-UHFFFAOYSA-N
-rxn:4:215970:223882,CSc1ncc(-c2cc3c(C)cccc3n2C(=O)OC(C)(C)C)c(N2CCC3(CC2)OCCO3)n1,ZDGTYQBXEFYXFM-UHFFFAOYSA-N
-rxn:4:215989:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(N2CCC(N3CCN(C)CC3)CC2)cc1,LQRWPTJRVCYWEU-UHFFFAOYSA-N
-rxn:4:216180:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cl)c(C(=O)N4CCn5nccc5C4)c3)ccc2OC)CC1,BKTKUPIWMCZFSQ-UHFFFAOYSA-N
-rxn:4:216319:222684,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)ccc3S2(=O)=O)n1,JBQVCHKFUKEFMI-UHFFFAOYSA-N
-rxn:4:217088:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3c(Cl)ncnc3N3CCOCC3)cn2)C1,VHDKVYLNGJEFGC-UHFFFAOYSA-N
-rxn:4:217907:224884,CC1CCN(Cc2cccc(-c3ccc4c(c3)C3CC(c5ccc(Cl)cc5)=NN3C3(CCN(C)CC3)O4)c2)CC1,IUIWQYXIOIBGRS-UHFFFAOYSA-N
-rxn:4:218581:224818,O=C(Cc1cccnc1)N1CCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)CC1,WQGQCRHWFCSZBZ-UHFFFAOYSA-N
-rxn:4:218582:224818,O=C(Cc1cccnc1)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)C1,PDBJXRICMIUEDC-UHFFFAOYSA-N
-rxn:4:218584:224394,Cc1ccc(-c2cnc(OCC3CCCN(Cc4ccc(C#N)cc4)C3)nc2)cc1S(=O)(=O)N1CCOCC1,BZGVXSWMBBOPNT-UHFFFAOYSA-N
-rxn:4:218584:224396,Cc1cc(-c2cnc(OCC3CCCN(Cc4ccc(C#N)cc4)C3)nc2)ccc1S(=O)(=O)N1CCOCC1,UTULFIBWYFAVJG-UHFFFAOYSA-N
-rxn:4:218587:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cnc(OCC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1,PJYHZLUOOFTWRO-UHFFFAOYSA-N
-rxn:4:218590:224597,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cn2)C1,IUOOQLYPHZCTLK-UHFFFAOYSA-N
-rxn:4:218642:224761,O=C(c1cncc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)c1)N1CCC(COc2cc(C3CC3)ncn2)CC1,JRJABHQWOIZEMO-UHFFFAOYSA-N
-rxn:4:218652:222539,CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)cn1,ULFVWSFWDJOYTL-UHFFFAOYSA-N
-rxn:4:218662:223500,CN(C)c1cccc(C(=O)N2CCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)c1,TZFSPBFKGHDJEC-UHFFFAOYSA-N
-rxn:4:218666:225222,CC1CCCCN1c1cc(-c2cncc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)C3)c2)c(F)cn1,XZOVHUMIVAAUOR-UHFFFAOYSA-N
-rxn:4:218675:222622,CCC(C)c1cc(-c2cncc(C(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)c2)cc(C2CCCNC2)n1,PMQNWQMFBNKEIP-UHFFFAOYSA-N
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-rxn:4:218676:222608,Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1,YNNRZOOSCUYBAC-UHFFFAOYSA-N
-rxn:4:218686:227222,CCN(CC)c1ccc(-c2cnccc2N2CCC(OCC#CCN3CCN(C)CC3)CC2)cn1,XDLGACQTVLALFG-UHFFFAOYSA-N
-rxn:4:218698:224819,O=C(C1CC(=O)N(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C1)N1CCN(CCc2ccncc2)CC1,YMQVPRPSSGPFJI-UHFFFAOYSA-N
-rxn:4:218706:224192,CCN1CCN(Cc2ccc(F)cc2-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)c2C)CC1,IOAKXCBRDZBGKV-UHFFFAOYSA-N
-rxn:4:218707:226560,CCOc1cc(F)c(-c2c(C)nn(C(C)CC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2C)cc1OC,HIOZVWHJKMABBA-UHFFFAOYSA-N
-rxn:4:218707:227318,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cnc(CC(C)C)c(Cl)c4)c3C)CC2)cc1,DIOLNDKUDQYYKO-UHFFFAOYSA-N
-rxn:4:218710:225775,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc(OC)c(C)c(C(=O)OC)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,ZPGLAUOMDLULCL-UHFFFAOYSA-N
-rxn:4:218729:223834,Cc1cc(-c2ccc(-c3nc4sccn4c3C=NOCC(=O)N3CCOCC3)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,QTBIWJYAPGHTIP-UHFFFAOYSA-N
-rxn:4:218778:225179,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cccc(Cl)c4CN4CCOCC4)cc(Cl)cc32)cc(C)c1F,GVZPPJYKFGSCPJ-UHFFFAOYSA-N
-rxn:4:218867:224868,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccc(OCC4CCCCC4)c3)c2)no1,KJLAVUGGIHUTSY-UHFFFAOYSA-N
-rxn:4:218867:225514,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccc4c3OCC3(CC3)CO4)c2)no1,PMGMBKANBGSIBQ-UHFFFAOYSA-N
-rxn:4:218867:226180,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(C)nc(C4CCCC4)c3)c2)no1,BZWPSPPBJMRFIR-UHFFFAOYSA-N
-rxn:4:218868:225654,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCCC(C)C4)nc3)cc2)no1,MCHIHBADJSKCKS-UHFFFAOYSA-N
-rxn:4:218868:226179,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cncc(C4CCCCC4)c3)cc2)no1,BMQXIOCNVRCNTM-UHFFFAOYSA-N
-rxn:4:218878:224396,Cc1cc(-c2cncc(C(=O)N3CCC(COc4ncccn4)CC3)c2)ccc1S(=O)(=O)N1CCOCC1,JQGMWWQPODYVSV-UHFFFAOYSA-N
-rxn:4:218884:224394,Cc1ccc(-c2cncc(C(=O)N3CCCC(COc4ncccn4)C3)c2)cc1S(=O)(=O)N1CCOCC1,GMMHNVZNKUIVAJ-UHFFFAOYSA-N
-rxn:4:218885:222546,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,CFFLLSRVCGHZKG-UHFFFAOYSA-N
-rxn:4:218917:223806,COc1ccc(COc2c(F)ccc(-c3cnc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2F)cc1,RBDZGASJKRLVOS-UHFFFAOYSA-N
-rxn:4:218919:223866,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccccc3CN3C(C)(C)CCCC3(C)C)C2)cn1,LSNMTPYFYBPAEF-UHFFFAOYSA-N
-rxn:4:218944:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)c2)CC1,ITBZFCOGOQNSBN-UHFFFAOYSA-N
-rxn:4:218991:224080,Cn1cc(-c2ccc(OCCCN3CCCCC3)cc2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,LTDUGVIXCSFXLM-UHFFFAOYSA-N
-rxn:4:218998:222673,O=C(NC1CCCCC1)c1ccc(Cl)c(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)c1,VXBGBGQRGATBIQ-UHFFFAOYSA-N
-rxn:4:219002:223945,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)c1=O,KFWISNGUJVPPIR-UHFFFAOYSA-N
-rxn:4:219012:226571,CN(c1ncc(-c2cnn(CC3CCOCC3)c2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,FAZKAFIESBSZMH-UHFFFAOYSA-N
-rxn:4:219013:225016,CC1CN(c2c(-c3cc(-c4cscn4)cc(C4CC4)c3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,VUDNVHIHALURFM-UHFFFAOYSA-N
-rxn:4:219013:225138,CC1CN(c2c(-c3ccn(-c4ccnc(C5CC5)c4)n3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,QZKGDBMERHHMIX-UHFFFAOYSA-N
-rxn:4:219037:223889,COc1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)c(C(=O)N2CCC(n3cc(-c4ccccc4)nn3)C2)c1,VKXURJIKXLOYNP-UHFFFAOYSA-N
-rxn:4:219042:225429,Cc1ccc(OCCC(C)C)c(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2C)c1,SPNGPANEAZLSOS-UHFFFAOYSA-N
-rxn:4:219043:223743,Cc1ccc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1OCCCN1CCC(C)CC1,IXSNWAOCABJCRC-UHFFFAOYSA-N
-rxn:4:219093:223635,CCC(=O)C1=C(c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)N(C(=O)CC)n2cnnc2S1,ICDPHXGEDMRSSM-UHFFFAOYSA-N
-rxn:4:219093:224127,CCC(=O)C1=C(c2ccc(-c3ccc(C(C)N4CCN(CC)CC4)cc3)cc2)N(C(=O)CC)n2cnnc2S1,SNGDWIISYFNMKO-UHFFFAOYSA-N
-rxn:4:219116:223598,Cn1cc(CC(=O)N2CC(Cn3cc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)cn3)C2)c2ccccc21,BITPNKGUAFBDPG-UHFFFAOYSA-N
-rxn:4:219181:223508,Cn1c(=O)c2c(SCc3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cc3)nc(CC(C)(C)C)nc2n(C)c1=O,VUXAVWUVRVJLMI-UHFFFAOYSA-N
-rxn:4:219354:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cnc(N2CCC(N(C)S(=O)(=O)C3CC3)C2)nc1,HJLGIWWQFWEADQ-UHFFFAOYSA-N
-rxn:4:219364:223945,O=C(c1cncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)c1)N1CCCC(Oc2ncc(Cl)cn2)C1,FISAIFNZPBGUCG-UHFFFAOYSA-N
-rxn:4:219369:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2nnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2C)c1,UQZZHHOXWADVTA-GFOWMXPYSA-N
-rxn:4:219373:224667,CN1CCN(Cc2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)n3)ccc2Cl)CC1,PKDOVEPTAFNMCR-UHFFFAOYSA-N
-rxn:4:219409:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(Cn2nnc(C(=O)N3CCOCC3)c2C)cc1,KJCDSUBIHKATHO-UHFFFAOYSA-N
-rxn:4:219431:224811,O=[N+]([O-])c1cc(-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)ccc1N1CCOCC1,HWOQCMSOBDXDEN-UHFFFAOYSA-N
-rxn:4:219432:224621,Cc1nc(S(=O)(=O)N2CCC(Oc3ncccc3-c3ccc(OCCN4CCSCC4)cc3)C2)cn1C,GLJLRQVENQQKHC-UHFFFAOYSA-N
-rxn:4:219456:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2C)n1,SNPZTOPKQCMPFA-UHFFFAOYSA-N
-rxn:4:219498:224782,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1cc(F)c(F)c(N2CCN(C)CC2)c1,APOIZNGPYLCQIV-UHFFFAOYSA-N
-rxn:4:219531:225885,CCCn1nnc2cc(-c3cnc(SC)nc3N3CCOC(C(=O)N4CCCCC4)C3)c(F)cc21,HUKRNLZGGCEORM-UHFFFAOYSA-N
-rxn:4:219551:222688,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccc(C(=O)Nc5ccccn5)c(F)c4)cn3)CC2)C1=O,JNYWDBFITBARQI-UHFFFAOYSA-N
-rxn:4:219552:223574,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,PZVFCEWWTWEVKI-UHFFFAOYSA-N
-rxn:4:219653:224015,Cc1cc(F)c(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)cc1S(=O)(=O)N1CCOCC1,CMVCZRYNLVXLNU-UHFFFAOYSA-N
-rxn:4:219653:224665,CN1CCN(Cc2cc(F)ccc2-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)CC1,MWYDNTLOTYFUAE-UHFFFAOYSA-N
-rxn:4:219706:225454,CN1CC=C(c2ccc(-c3cc4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4cc3Cl)cc2)CC1,VZLMKVHOVAMZFX-UHFFFAOYSA-N
-rxn:4:219764:228976,CC(C)(C)OC(=O)N1C2CCC1CN(c1nc(F)nc3c(F)c(-c4ccc5c(c4)C=C5)c(Cl)cc13)C2,VVQCSNDPELCEHL-UHFFFAOYSA-N
-rxn:4:219778:224566,CCn1cc(-c2nc(-c3ccc(-c4ccc(C5(C(=O)OC)CCCC5)cc4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,GTLOFJSXSWAPOV-UHFFFAOYSA-N
-rxn:4:219902:223897,Cc1ccc(-c2cncc([N+](=O)[O-])c2N2CCN(C(C)C)CC2)cc1OCCCN1CCOCC1,CPNWOJGXBFGRTE-UHFFFAOYSA-N
-rxn:4:219951:223784,CCN1CCN(CCOc2ccc(-c3cccc(C(=O)N4CCN(c5nccn5C)CC4)c3)cc2F)CC1,LLEVZEQABWLLSW-UHFFFAOYSA-N
-rxn:4:219959:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c(Cl)c2)CC1,JSMOPNKYXWMKJF-UHFFFAOYSA-N
-rxn:4:219959:224399,O=C(C1CN(c2ncc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)cn2)CCO1)N1CCOCC1,PPXCBIPNZCTDBJ-UHFFFAOYSA-N
-rxn:4:220070:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1nc2n(n1)CCCN(C(=O)OC(C)(C)C)C2,OEOZHAAWACRWMA-UHFFFAOYSA-N
-rxn:4:220137:225080,COC(=O)C1CCc2cc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)ccc2O1,CZSZPNTYWOIGTR-UHFFFAOYSA-N
-rxn:4:220221:225172,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(CN5CCOCC5)ccc4F)cc2)OC3)CC1,AIOJESHHUKILJH-UHFFFAOYSA-N
-rxn:4:220404:223945,CN1CCN(C(=O)c2cnn(C)c2-c2ccc(OCCCN3CCOCC3)c(F)c2)CC1,DXETWGVWZZCROL-UHFFFAOYSA-N
-rxn:4:220422:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5ccc(Cl)cc5)CC4)nc3)cc2[N+](=O)[O-])CC1,SZYPNXFPNHSNGY-UHFFFAOYSA-N
-rxn:4:220427:223588,Cc1cc(-c2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,ACXPHRFWHFQRSK-UHFFFAOYSA-N
-rxn:4:220430:224588,CC1CCN(Cc2cc(F)cc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)c2)CC1,OITVOIGSMLTIRZ-UHFFFAOYSA-N
-rxn:4:220545:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCC(N5CCc6sccc6C5)CC4)nc3)c2)CC1,ALDXWCYOXCMSEJ-UHFFFAOYSA-N
-rxn:4:221100:226831,CCCn1cc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nc4OC)CC3)nc2)c(C(F)(F)F)n1,CYSPQJVUYCHVKP-UHFFFAOYSA-N
-rxn:4:221107:222589,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5CCC(O)CC5)c(Cl)c4)cn3)C2)c(=O)c1C,AZLBILQXYRPYMZ-UHFFFAOYSA-N
-rxn:4:221121:225184,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(Oc6ccc(F)cc6)nc5)ccc43)CC2)CC1,KEDZYVHSWSKINO-UHFFFAOYSA-N
-rxn:4:221127:224168,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(N(CC)C(=O)OC(C)(C)C)c5)cc4)nnn3c3ccsc23)CC1,FYMQPQXSBNQRES-UHFFFAOYSA-N
-rxn:4:221149:224406,N#Cc1ccc(N2CCCC(COc3ncc(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)cn3)C2)nc1,MRSHBAJYEKBEQT-UHFFFAOYSA-N
-rxn:4:221157:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cncc(C(=O)N4CCN(CCn5ccnc5)CC4)c3)cc2C1,YHFNWVGYQJPMRQ-UHFFFAOYSA-N
-rxn:4:221172:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cnc(OCC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nc1,ZVNJDALXEVMBKL-UHFFFAOYSA-N
-rxn:4:221177:224406,O=S(=O)(c1cc(-c2cnc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2)ccc1F)N1CCOCC1,WPOHTEHRXFEWFZ-UHFFFAOYSA-N
-rxn:4:221180:224592,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)CC2)nn1C,UYIWYELRTKIRQU-UHFFFAOYSA-N
-rxn:4:221194:223138,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccnc(C5CCNCC5)c4)cn3)CC2)cn1C,AFBVYNCHUVVUJY-UHFFFAOYSA-N
-rxn:4:221198:222684,CC(C)(C)c1ccc(OCC2CCN(c3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)CC2)nn1,GUSMDRCODMXWQV-UHFFFAOYSA-N
-rxn:4:221221:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cncc(C(=O)N4CCC(COc5ccc6nccn6n5)CC4)c3)cc2C1,DDMYDBQJCUMKIT-UHFFFAOYSA-N
-rxn:4:221240:223031,CCNC(=O)c1ccc(-c2cnc(OCC3CCCN(Cc4c5c(nn4C)CCC5)C3)nc2)c(OC)c1,WETCTFQKCYXZSF-UHFFFAOYSA-N
-rxn:4:221250:223904,CC(C)(C)OC(=O)N1CC(c2cccc(-c3ccc(C4=NN(C(=O)CN5CCCCC5)C(c5nc6ccccc6[nH]5)C4)cc3)c2)C1,CPSAJVDRHBPHQD-UHFFFAOYSA-N
-rxn:4:221254:223960,CCN1CCN(C(=O)c2cc(-c3ccc(-n4cc(-c5ccccc5)c5c(N6CCN(c7ccc(C(C)=O)cc7)CC6)ncnc54)cc3)ccc2F)CC1,HKRFENLNFFMHFR-UHFFFAOYSA-N
-rxn:4:221264:225898,CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnn(CCN4CCOCC4)c3)cc2)n(C)c1=O,MTZRZDOIEXVJFF-UHFFFAOYSA-N
-rxn:4:221270:222791,CCOCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(NC(=O)OC(C)(C)C)ccc3Cl)cc2)n(C)c1=O,LJTHQALYKKLXSR-UHFFFAOYSA-N
-rxn:4:221313:223974,CC1CCN(c2ccc(-c3cncc(C(=O)N4CC(S(=O)(=O)c5nncn5C)C4)c3)c(C(F)(F)F)c2)CC1,ROBXPDGINKBPIU-UHFFFAOYSA-N
-rxn:4:221320:224280,Cn1nc(C(=O)N2CC(Cn3cc(-c4cc5c(s4)CCN(C(=O)OC(C)(C)C)C5)cn3)C2)ccc1=O,RUVHBCZIBWONJG-UHFFFAOYSA-N
-rxn:4:221367:222546,Cc1cnc(OCC2CCCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)nc1,CQVQFUKEWUZDIL-UHFFFAOYSA-N
-rxn:4:221391:222709,CSc1ncc(-c2cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c2)c(N2CCC(N(C)c3ccccn3)CC2)n1,OSTVQPAJSKKKBI-UHFFFAOYSA-N
-rxn:4:221412:223787,Cc1nc(C)c(C)c(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)n1,BDXUQXFMXVADEC-UHFFFAOYSA-N
-rxn:4:221417:222584,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccc(-c5ccc(OCCCN6CCNCC6)c(F)c5)o4)CC3)n2)n1,DJRUTEZWONTXBI-UHFFFAOYSA-N
-rxn:4:221431:223118,CCCC(=O)Nc1cccc(-c2ccccc2C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c1,AUDCIYIPRUZHQN-UHFFFAOYSA-N
-rxn:4:221433:223693,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c4F)cc3)CC2)n1,HQZONCMNRRSSBQ-UHFFFAOYSA-N
-rxn:4:221436:225390,CC(C)Cc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)cc(C2CC2)c1,HXHXDZYTOIZCDE-UHFFFAOYSA-N
-rxn:4:221441:226844,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4ccnc(C(=O)C(F)(F)F)c4)c3)CC2)n1,TYBWJFURKKPVOO-UHFFFAOYSA-N
-rxn:4:221449:222904,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NC(=O)OC(C)(C)C)nc4)cc3)CC2)n1,JBPDAGCYMBMXRF-UHFFFAOYSA-N
-rxn:4:221449:223280,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCNC5)nc4)cc3)CC2)n1,YUDWFYUJZDFWMS-UHFFFAOYSA-N
-rxn:4:221450:224319,Cc1cc(-n2nnc(C(=O)N3CCN(c4ccccc4C)CC3)c2C)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C,JVIOWMBQQOZUNL-UHFFFAOYSA-N
-rxn:4:221451:223858,COc1cc2c(cc1-c1ccccc1C(=O)N1CCN(c3nc(C)cc(N4CCCCC4)n3)CC1)-c1ccccc1C2(C)C,SHMHUHNCMDIKQF-UHFFFAOYSA-N
-rxn:4:221456:222844,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)C5CCCC5)c4)cc3)CC2)n1,SFXQYLFQUQWWCA-UHFFFAOYSA-N
-rxn:4:221622:224061,CCCC1CCC(c2ccc(-c3cnc(N4CCN(c5ncccn5)CC4)c(C(F)(F)F)c3)c(F)c2)CC1,WIHPECAVJKNVQW-UHFFFAOYSA-N
-rxn:4:221685:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4C5CCC4CC(n4nccn4)C5)c3)c2)C1,MHHSUJMEKQBLKG-UHFFFAOYSA-N
-rxn:4:221726:224960,COc1ccc(-c2cnc(N3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1OC1CCCC1,MXASXPVBRLOBDT-UHFFFAOYSA-N
-rxn:4:221728:223671,Cn1nc(C2CCN(c3nc4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4s3)CC2)n(C2CC2)c1=O,AUFHYLDQUJNGCK-UHFFFAOYSA-N
-rxn:4:221832:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,SMCVFDUXVXSOQH-UHFFFAOYSA-N
-rxn:4:221841:223646,Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)C5)cc4)cc2OCC3)n(C(C)C)n1,OYAJFQJSQWEBDW-UHFFFAOYSA-N
-rxn:4:221855:223539,CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cc2)n(C)c1=O,ZRYSPATVUHVMBI-UHFFFAOYSA-N
-rxn:4:221925:222606,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccccc5-c5cccc(C(F)(F)F)c5C(=O)NC(C)(C)C)no4)C3C2=O)cc1,ANOSEYIUNOQVFW-UHFFFAOYSA-N
-rxn:4:221935:224404,N#Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)cn2)C1,VCJQEQSIRSQIJM-UHFFFAOYSA-N
-rxn:4:221935:224406,N#Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cn2)C1,USRSTMDXHJZAPL-UHFFFAOYSA-N
-rxn:4:221937:223753,Cc1ccc(-c2cnc(OCC3CCN(C(=O)c4cn(C)nn4)CC3)nc2)cc1OCCCN1CCN(C)CC1,VVLOOMFBFDLSCS-UHFFFAOYSA-N
-rxn:4:221938:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nn5)C4)nc3)c2)CC1,UEOHJWUKCIYOJL-UHFFFAOYSA-N
-rxn:4:221943:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cncc(C(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)c2)c(C(F)(F)F)c1,VLKDYKJXQBIITP-UHFFFAOYSA-N
-rxn:4:221961:222684,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cncc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)c4)CC3)nc2)cn1,PWKMLDLIRFAUPP-UHFFFAOYSA-N
-rxn:4:221982:226283,CC(C)COc1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)cc2)c1,JMICEPKGIPSNEM-UHFFFAOYSA-N
-rxn:4:221983:223107,COc1ncc(-c2c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc3nc(C)cc(C)n23)cc1NS(C)(=O)=O,HEXCZANEFPCHPR-UHFFFAOYSA-N
-rxn:4:221996:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnn(CC4CN(c5nccnc5C#N)C4)c3)c2)CC1,WUCNENKSWVJQGY-UHFFFAOYSA-N
-rxn:4:222062:222841,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCCC5)cc4)cc3)CC2)n1,UTDHGVZHUFOTEF-UHFFFAOYSA-N
-rxn:4:222089:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,VXRSZUSAPUHTBZ-UHFFFAOYSA-N
-rxn:4:222108:222837,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(CC(=O)NC(C)(C)C)c6)cc5)no4)C3C2=O)cc1F,FFWUXZXWCANOAA-UHFFFAOYSA-N
-rxn:4:222203:224192,CCN1CCN(Cc2ccc(F)cc2-c2cncc(C(=O)N3CCN(c4nccn5nc6c(c45)CCCC6)CC3)c2)CC1,JOCSESYGRUGCOC-UHFFFAOYSA-N
-rxn:4:222228:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc4nc(N5CCN(c6ccc7nccn7n6)CC5)sc4c3)c2)CC1,QFBVYLNDCKJEGP-UHFFFAOYSA-N
-rxn:4:222252:224325,CSc1ncc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)c(N(C)C2CN(c3nccnc3C#N)C2)n1,CBWYNOHCOYBMMY-UHFFFAOYSA-N
-rxn:4:222255:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5ccc6nnc(C7CC7)n6n5)C4)nc3)cc2[N+](=O)[O-])CC1,CTXDHBASMBWTOK-UHFFFAOYSA-N
-rxn:4:222282:224088,COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5-c5ccc(OCCN6CCCCCC6)cc5)CC4)ncnc32)c1,PLFWEDRKXVLLQP-UHFFFAOYSA-N
-rxn:4:222307:224196,CCc1nnc2ccc(N3CC4CN(C(=O)c5cncc(-c6cc(F)cc(CN7CCN(CC)CC7)c6)c5)CC4C3)nn12,SYQHQLNVINNEJT-UHFFFAOYSA-N
-rxn:4:222332:222814,CC(C)(C)OC(=O)Nc1nccc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)c1F,YUNWRESMIARVCH-UHFFFAOYSA-N
-rxn:4:222332:222852,OC1CCN(Cc2cccc(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)c2)CC1,LIQZNZVAFDISNF-UHFFFAOYSA-N
-rxn:4:222337:225633,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(N5CCCCCC5)nc4)cn3)CC2)n1,ZZVCSFOVFXHZQO-UHFFFAOYSA-N
-rxn:4:222363:224267,Cc1cc(CN2CCN(c3c(-c4cccc(N5CCC6(CC5)OCCO6)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JOVKMHCUGJPRAJ-UHFFFAOYSA-N
-rxn:4:222363:225126,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCC4CCCO4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LXNJLYDWEBPHQX-UHFFFAOYSA-N
-rxn:4:222380:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)c2)CC1,RKYXDIZVYCUBSL-UHFFFAOYSA-N
-rxn:4:222380:224198,CCN1CCN(Cc2ccc(-c3cnc(N4CC5CN(c6ncnc7c6ncn7CC)CC5C4)nc3)c(F)c2)CC1,OXABFINTTVBSTR-UHFFFAOYSA-N
-rxn:4:222389:174176,COC(=O)c1ccc(CS(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)o1,OTNWQZXCADTOLQ-UHFFFAOYSA-N
-rxn:4:222522:207811,COc1ccc(-c2ccc3c(C4=CCN(C(C)C)CC4)c[nH]c3c2)cc1S(=O)(=O)N1CCC(O)CC1,LRYMTRJSZLPYRP-UHFFFAOYSA-N
-rxn:4:222523:175522,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(F)cc(OCC(=O)C(C)(C)C)c2)c(C(F)(F)F)c1,XASQPAFXWDEZGK-UHFFFAOYSA-N
-rxn:4:222540:222380,CCn1cnc2c(N3CC4CN(c5ncc(-c6cccc(C(=O)NCCN7CCCCC7)c6)cn5)CC4C3)ncnc21,RHLLCLGWXFNADP-UHFFFAOYSA-N
-rxn:4:222601:175772,CC(C)(C)OC(=O)Nc1nc2c(-c3cccc([Si](C)(C)C)c3OS(=O)(=O)C(F)(F)F)cccc2s1,VGYLZYQXPCDPEW-UHFFFAOYSA-N
-rxn:4:222603:199492,CCOC(=O)C(CC(C)C)n1cc(-c2cc(OC)c(NC(=O)OC(C)(C)C)cc2Cl)cn1,DCIQMEQBMMJCCT-UHFFFAOYSA-N
-rxn:4:222630:199622,CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)CC1,UITALIYKQVKBPO-UHFFFAOYSA-N
-rxn:4:222741:203897,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c2)CC1,LFBWUDFRDKEKDO-UHFFFAOYSA-N
-rxn:4:222742:218587,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cn3)CC2)cc1,OXWPSPRTBPIRJX-UHFFFAOYSA-N
-rxn:4:222802:185057,Cc1ccc(-c2cc(C(F)(F)F)ccc2C(=O)N(C(C)C)C(C)C)c(S(=O)(=O)NC(C)(C)C)c1,BOUQWXQJJOXWNM-UHFFFAOYSA-N
-rxn:4:222901:215110,CCCS(=O)(=O)NCc1ccc(-c2nc(C)n3c2CN(C(=O)OC(C)(C)C)CC3)cc1,ACSMWAPMBZCIQQ-UHFFFAOYSA-N
-rxn:4:222910:184693,CCCNS(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c2)c(C)c1,YCJGOMZUARDOHK-UHFFFAOYSA-N
-rxn:4:222940:187879,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3c(c2)CCC(=O)N3CC(=O)OC(C)(C)C)c1,CAVKHCSHOZIYJT-UHFFFAOYSA-N
-rxn:4:222950:178382,CONS(=O)(=O)c1cc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)ccc1OC,NILATXCGHWNFQY-UHFFFAOYSA-N
-rxn:4:223061:178384,Fc1cnc(C2CCNCC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,GNXWQPOZMUXKTH-UHFFFAOYSA-N
-rxn:4:223071:219336,CCS(=O)(=O)NCc1ccc(-c2cnn(CC3CN(C(=O)N4CCOCC4)C3)c2)cc1,DJDVYEHSDJWVGM-UHFFFAOYSA-N
-rxn:4:223080:199742,CC(C)NS(=O)(=O)c1ccc(-c2ccccc2CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1,NOLYBHNPBNWSSQ-UHFFFAOYSA-N
-rxn:4:223481:178807,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccccc3CC(F)F)c(F)c2)CC1,RUMXTIILYAPGIK-UHFFFAOYSA-N
-rxn:4:223570:176098,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(F)cc3CO[Si](C)(C)C(C)(C)C)c(F)ncc21,AMTWZVPLQMCZLT-UHFFFAOYSA-N
-rxn:4:223570:184537,COC(=O)Cc1cc(C#N)c(OC)c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,RAVGIPDAZXWIHK-UHFFFAOYSA-N
-rxn:4:223570:187164,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cncc(CO[Si](C)(C)C(C)(C)C)c3)c(F)ncc21,FHKIGOYQKJXBHX-UHFFFAOYSA-N
-rxn:4:223641:176131,CCc1cc2c(cc1F)cc(-c1cc(SC(C)(C)C)cc(SC(C)(C)C)c1)n2C(=O)OC(C)(C)C,AQVAWMWFRSHVDO-UHFFFAOYSA-N
-rxn:4:223940:189984,C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)cc1,XYVXIHGODPYQIA-STKYDYRJSA-N
-rxn:5:176857:225849:223064,COC(=O)c1cc(OC)c(-c2ccc(C3CCNCC3)nc2F)cc1-c1cnc(N2CCCCC2)cc1F,WZPVWECVOBMVSQ-UHFFFAOYSA-N
-rxn:5:176859:225833:223064,COC(=O)c1cc(OC)c(-c2ccnc(N3CCCCC3)c2F)cc1-c1ccc(C2CCNCC2)nc1F,ZYYTXADOYZGREL-UHFFFAOYSA-N
-rxn:5:176860:225833:223064,COC(=O)c1c(-c2ccnc(N3CCCCC3)c2F)ccc(OC)c1-c1ccc(C2CCNCC2)nc1F,WGDZUCPWWLRLHN-UHFFFAOYSA-N
-rxn:5:176860:225849:223064,COC(=O)c1c(-c2cnc(N3CCCCC3)cc2F)ccc(OC)c1-c1ccc(C2CCNCC2)nc1F,IXEPAUFFHHFCAB-UHFFFAOYSA-N
-rxn:5:176861:225799:222956,COC(=O)c1ccc(-c2ccc(C)cc2C2CCCNC2)c(-c2cncc(OC3CCOCC3)c2)c1OC,JPXGREIMCWYDCW-UHFFFAOYSA-N
-rxn:5:176863:225834:223062,COC(=O)c1cc(-c2cc(N3CCCCC3)ncc2F)cc(OC)c1-c1cnc(C2CCNCC2)cc1F,MINGLZOMNMPQRZ-UHFFFAOYSA-N
-rxn:5:176865:225834:223062,COC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)cc(OC)c1-c1cc(N2CCCCC2)ncc1F,BHKURUAGHAABHI-UHFFFAOYSA-N
-rxn:5:176865:225834:223064,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2F)cc(OC)c1-c1cc(N2CCCCC2)ncc1F,IKDGWZAGWZLDLB-UHFFFAOYSA-N
-rxn:5:176865:225849:223064,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2F)cc(OC)c1-c1cnc(N2CCCCC2)cc1F,VUMMKOGAADYCFG-UHFFFAOYSA-N
-rxn:5:176871:225834:223062,COC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)c(OC)cc1-c1cc(N2CCCCC2)ncc1F,VHHXMTAFAJLKFA-UHFFFAOYSA-N
-rxn:5:177184:223065:226662,CCOC(=O)c1c(-c2ccc(N3CCN(C)CC3)s2)ccc(C)c1-c1ccc(N2CCNCC2)cc1F,GLCMJGSEYOGAKD-UHFFFAOYSA-N
-rxn:5:177184:225655:223007,CCOC(=O)c1c(-c2cc(F)cc(C3CCNCC3)c2)ccc(C)c1-c1cncc(N2CCC(C)CC2)c1,GKTYNYGCFDQGSX-UHFFFAOYSA-N
-rxn:5:177184:225833:226654,CCOC(=O)c1c(-c2csc(N3CCC(C)CC3)n2)ccc(C)c1-c1ccnc(N2CCCCC2)c1F,JYVBUQAJSSJRIR-UHFFFAOYSA-N
-rxn:5:177184:225849:226654,CCOC(=O)c1c(-c2csc(N3CCC(C)CC3)n2)ccc(C)c1-c1cnc(N2CCCCC2)cc1F,BSOHVBAJHVHFMX-UHFFFAOYSA-N
-rxn:5:177185:225602:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(-c2cc(C3(C#N)CCC3)ccc2F)cc1C(=O)OC(C)C,ZXHVNPGBXMQLPF-UHFFFAOYSA-N
-rxn:5:177185:225976:223062,CC(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1cnc(C2CCNCC2)cc1F,LDCQRZQELRTYCU-UHFFFAOYSA-N
-rxn:5:177190:223054:225831,CCS(=O)(=O)Cc1ccc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,NKKZURQWYIFBLM-UHFFFAOYSA-N
-rxn:5:177190:225514:226661,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCN(C)CC3)cs2)c(-c2cccc3c2OCC2(CC2)CO3)c1,MBQCGILRRKWRMC-UHFFFAOYSA-N
-rxn:5:177190:227684:225607,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cnn(CC3OCCO3)c2)c1,GVSHVJQFOAFPPH-UHFFFAOYSA-N
-rxn:5:177191:225440:223007,N#CC1(c2ccc(-c3cc(-c4cc(F)cc(C5CCNCC5)c4)ccc3CC(=O)C3CC3)cc2)CCCC1,UFQQPYAQJSLHHZ-UHFFFAOYSA-N
-rxn:5:177373:227804:223001,O=[N+]([O-])c1cc(-c2cc(-c3cc(C4CCCNC4)ccc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,YHWMEYGVUHHTDE-UHFFFAOYSA-N
-rxn:5:177729:223132:225638,CC1CCN(c2ccc(-c3cc(-c4cccc(N5CCNCC5)c4)ccc3C(=O)OC(C)(C)C)cn2)CC1,PPCRTZBRTXTLHB-UHFFFAOYSA-N
-rxn:5:177732:226649:225438,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2cccnc2N2CCOCC2)cc1)N1CCCC1,JZFIZLWDCCJNRM-UHFFFAOYSA-N
-rxn:5:177733:225439:223139,CC(c1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(C4CCNCC4)nc3)c2)c1)N1CCCC1,VQCLDWZFLQJXME-UHFFFAOYSA-N
-rxn:5:177733:226794:225833,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2ccnc(N3CCCCC3)c2F)c1,ACCDHKCVQDMBAT-UHFFFAOYSA-N
-rxn:5:177736:223064:226664,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCCC3)ncc2F)c(-c2ccc(C3CCNCC3)nc2F)c1,MBPCYNPYUMQLMQ-UHFFFAOYSA-N
-rxn:5:177736:225407:226085,CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)CCC(C)(C)O3)c(-c2ccc(C3CCCCCC3)cc2)c1,UAZHKKTXKCLAGM-UHFFFAOYSA-N
-rxn:5:177736:226330:226643,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc(N3CCOCC3)nc2)s1)N1CCCC1,WUSFGRXXKVGPND-UHFFFAOYSA-N
-rxn:5:177736:226664:223064,CC(C)(C)OC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2cc(N3CCCC3)ncc2F)c1,JUAGGNHAJJNVAW-UHFFFAOYSA-N
-rxn:5:177737:225439:223002,CC(c1cccc(-c2ccc(-c3ccc(C4CCNCC4)cc3F)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,WODKPMTUUVQTBL-UHFFFAOYSA-N
-rxn:5:177850:227299:225794,CCOc1ccc(-c2cc(F)cc(CN(C)C)c2)c(C2OCCO2)c1-c1cnc(OC2CCCCC2)nc1,WTDTZLFWIZIWSB-UHFFFAOYSA-N
-rxn:5:177851:225798:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccc(OC2CCOCC2)nc1,KKXHYVRRXPZONF-UHFFFAOYSA-N
-rxn:5:177851:226661:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1cc(N2CCN(C)CC2)cs1,ICPABANFONFRKT-UHFFFAOYSA-N
-rxn:5:177891:223186:227278,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnn(C4CCCCO4)c3)cn2)CC1,PJIUVLMWPXXVSZ-UHFFFAOYSA-N
-rxn:5:177891:223201:223288,CNS(=O)(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccccc2C2CCNC2)c1,AMSPAHQEFMKBKX-UHFFFAOYSA-N
-rxn:5:177891:223240:226447,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOCC2)c1)c1ccccc1-c1ccc(C2CCNC2)nc1,NKCPOXDJADWGAP-UHFFFAOYSA-N
-rxn:5:177891:223281:226649,O=C(SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1)c1ccccc1-c1ccc(C2(O)COC2)nc1,RQLRZECBJZUJMX-UHFFFAOYSA-N
-rxn:5:177891:225798:229011,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CC2)s1)c1ccccc1-c1ccc(OC2CCOCC2)nc1,UGQJPLUJVMXWIM-UHFFFAOYSA-N
-rxn:5:177891:225799:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1cncc(OC2CCOCC2)c1,YJGKMKYZKGWERR-UHFFFAOYSA-N
-rxn:5:177891:225805:226662,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(N3CCN(C)CC3)s2)s1)N1CCOCC1,VFULPKSUVHSCOL-UHFFFAOYSA-N
-rxn:5:177891:226323:223295,CS(=O)(=O)Nc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3CCCC3)nc2)c1,RGPHTNDLZOGBPN-UHFFFAOYSA-N
-rxn:5:177891:226452:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1ccc(C2OCCCO2)cc1,UUULSEOIEQZJIV-UHFFFAOYSA-N
-rxn:5:177891:227437:225810,COc1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCCO3)c2)c(C2OCCO2)c1,KYAKKFBTNDLMNZ-UHFFFAOYSA-N
-rxn:5:177891:227517:225798,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2CCOCC2)nc1)c1ccccc1-c1ccc(OC2COC2)nc1,XKAGTBSHKUURJM-UHFFFAOYSA-N
-rxn:5:177891:227626:226329,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnc(C4CCOC4)nc3)cc2F)CC1,CUTMSAPYZGSLFQ-UHFFFAOYSA-N
-rxn:5:177891:227654:228016,O=C(SC1CS(=O)(=O)CC1c1cc(C2CCCC2)cs1)c1ccccc1-c1ccc(C2OCCO2)nc1,QZMCPQDCPSMRRK-UHFFFAOYSA-N
-rxn:5:177891:227656:226330,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cc(N3CCOCC3)cs2)s1)N1CCCC1,ODDXJYBZQFDBQO-UHFFFAOYSA-N
-rxn:5:177891:227657:223281,O=C(SC1CS(=O)(=O)CC1c1ccc(C2(O)COC2)nc1)c1ccccc1-c1ccc(N2CCOCC2)s1,LOGBPURNAOQHRY-UHFFFAOYSA-N
-rxn:5:177891:227684:227448,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)c(F)c1)c1ccccc1-c1cnn(CC2OCCO2)c1,UNZJDMCPMKBLOK-UHFFFAOYSA-N
-rxn:5:177891:228879:225607,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnn2C2COC2)s1)N1CCCCC1,PBXTVGULOMMNSA-UHFFFAOYSA-N
-rxn:5:177970:223002:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCC3)cc(-c3ccc(C4CCNCC4)cc3F)c2)c([N+](=O)[O-])s1,WANGXJWQUKNTRR-UHFFFAOYSA-N
-rxn:5:177971:226575:225465,CN1CCC(c2cccc(-c3ccc(-c4ccc(C(=O)N(C)C)c(F)c4)cc3OCC3CCCC3)c2)CC1,AOFZVGJEOLYCPY-UHFFFAOYSA-N
-rxn:5:178118:226447:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccnc(C3CCOCC3)c2)c(OCC2CCCCO2)c1,VVFPGIIPUHYAGZ-UHFFFAOYSA-N
-rxn:5:178119:223281:222991,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C3(O)COC3)nc2)c1-c1ccc(N2CCCC(O)C2)cc1,IBNVKEOMJOIQGP-UHFFFAOYSA-N
-rxn:5:178120:222988:227501,Cc1cc(-c2cccc(OCC3CCOCC3)c2-c2ccc(C=C[N+](=O)[O-])cc2)cc(C2CCNCC2)n1,XYKFSIKQASHQEZ-UHFFFAOYSA-N
-rxn:5:178295:226062:228189,CCSc1ccc(F)c(-c2ccc(-c3cc(C(C)C)cc(C(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VCKAFYNQBNMJBH-UHFFFAOYSA-N
-rxn:5:178295:226611:225886,CCc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccc3c(ccn3S(C)(=O)=O)c2)cc1C1(C(=O)OC)CCC(=O)CC1,JDXKOWGFDGEJSH-UHFFFAOYSA-N
-rxn:5:178295:226772:227935,CCc1cc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccc1OC,ADZVKNZFIAVZLX-UHFFFAOYSA-N
-rxn:5:178295:226914:228268,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3SC)ccc2-c2ccc(CC(C)C)cc2C)CCC(=O)CC1,YMWGNPWZSUEJIX-UHFFFAOYSA-N
-rxn:5:178295:227052:226959,COC(=O)C1(c2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,BBPPRCVQVZFPCB-UHFFFAOYSA-N
-rxn:5:178295:227068:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(CC(C)C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,DKLNQTPULYDZDS-UHFFFAOYSA-N
-rxn:5:178295:227362:228428,CCOc1cc(C)cc(F)c1-c1ccc(-c2cc(OC)cc(F)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,JYPOOFHUJPMRHH-UHFFFAOYSA-N
-rxn:5:178295:228258:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2c(C)ccc(F)c2OC)CCC(=O)CC1,JRMDFNBCCLWXER-UHFFFAOYSA-N
-rxn:5:178295:228586:223065,COC(=O)C1(c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2-c2cccnc2C(C)C)CCC(=O)CC1,OZYDUBCLVMBIIS-UHFFFAOYSA-N
-rxn:5:178295:228606:226603,CCc1ccc(F)c(-c2ccc(-c3cc(C(=O)OC)cc(F)c3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,IKLYIJJKLXFISV-UHFFFAOYSA-N
-rxn:5:178295:228929:222405,COC(=O)C1(c2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2-c2cncc(C(F)F)c2)CCC(=O)CC1,VUIFMZZSXPSBNK-UHFFFAOYSA-N
-rxn:5:178313:225453:225499,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc(C3CCCCC3)cc2F)c1,LXJQRRACBITNIS-UHFFFAOYSA-N
-rxn:5:178313:226150:226067,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCC3)c2)c(-c2ccc(C3=CCCCC3)cc2)c1,HQFRTDOBGQLDAF-UHFFFAOYSA-N
-rxn:5:178313:226190:226061,CC(C)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3CCCC3)cc2F)cc(C2CC2)c1,BGOVAXAMKNPQCW-UHFFFAOYSA-N
-rxn:5:178313:226440:226190,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(F)nc(C3CCCC3)c2)c(-c2ccc(C3CCCC3)cc2F)c1,MIWFWZCVUAYJFG-UHFFFAOYSA-N
-rxn:5:178313:227313:225450,CCC(C)c1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc(C(=O)C3CCCC3)cc2)c(F)cn1,UYWUYUZHPPJBPP-UHFFFAOYSA-N
-rxn:5:178314:225407:226918,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCCC3)cc2)ccc1-c1ccc(C2=CCCC2)cc1,IVZCWQVUFWVKAN-UHFFFAOYSA-N
-rxn:5:178314:225450:226917,Cc1cc(-c2ccc(-c3ccc(C(=O)C4CCCC4)cc3)cc2O[Si](C)(C)C(C)(C)C)cc(C(C)(C)C)c1,UFTPNZSNNCVTTC-UHFFFAOYSA-N
-rxn:5:178314:225499:226069,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCC3)cc2F)ccc1-c1cccc(C2CCCCC2)c1,WCLQLIJXHPNLKD-UHFFFAOYSA-N
-rxn:5:178314:226189:226176,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCC3)c(F)c2)ccc1-c1ccncc1C1CCCCC1,RRPCAZZMMWDBKD-UHFFFAOYSA-N
-rxn:5:178314:227044:225394,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C3CC3)cc2)ccc1-c1cc(C2CCC2)cc(C2CC2)c1,ZSKMFWDFENHRBC-UHFFFAOYSA-N
-rxn:5:178315:225394:227065,CC(C)C(=O)c1cccc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c1,NQUOKTISBJJLAI-UHFFFAOYSA-N
-rxn:5:178315:225407:226437,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2cc(C3CCCC3)ncc2F)c1,SKHCPEQYIPQIDF-UHFFFAOYSA-N
-rxn:5:178315:225499:226922,Cc1cc(C2CC2)cc(C)c1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(C3CCCCC3)cc2F)c1,CBALCNCBYPQNPY-UHFFFAOYSA-N
-rxn:5:178315:225816:227094,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnccc2C2CCCC2)cc(-c2cc(C3CC3)ccc2C(F)(F)F)c1,GIHFKZXYHRTGLA-UHFFFAOYSA-N
-rxn:5:178315:226084:226191,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc3c(c2)C(=O)CCCC3)cc(-c2cc(C3CCCC3)ccc2F)c1,NNWVHPLALXQRKJ-UHFFFAOYSA-N
-rxn:5:178315:226177:225814,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3(C(F)(F)F)CC3)c2)cc(-c2ccnc(C3CCCCC3)c2)c1,FUPGCILAPJRCAT-UHFFFAOYSA-N
-rxn:5:178353:226590:222987,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(C4CCNCC4)nc3C)c(C)c2)c(C)cc1-c1ccc(OC2CCOC2)nc1,OWYYMUPMCZLYPF-UHFFFAOYSA-N
-rxn:5:178466:223007:225834,CC(C)OC(=O)c1sc2cc(-c3cc(F)cc(C4CCNCC4)c3)ccc2c1-c1cc(N2CCCCC2)ncc1F,ZQKNLTMZPQRHHR-UHFFFAOYSA-N
-rxn:5:178466:223061:225833,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,ZFXQOFOYRJDVDQ-UHFFFAOYSA-N
-rxn:5:178466:225507:223063,COC(=O)C1CCc2cc(-c3ccc4c(-c5cc(F)nc(C6CCNCC6)c5)c(C(=O)OC(C)C)sc4c3)ccc21,HLJRXFWHDNZTHQ-UHFFFAOYSA-N
-rxn:5:178466:225834:225784,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccc(CN2CCOCC2)nc1,GYKUVUKZPUMSNW-UHFFFAOYSA-N
-rxn:5:178467:222957:228292,CCOC(=O)C1=Cc2cc(-c3ccnc4c3OCCO4)cc(-c3cc(C)cc(C4CCCNC4)c3)c2OC1,IHQHIRCXJKHWHI-UHFFFAOYSA-N
-rxn:5:178467:222980:228457,CCOC(=O)C1=Cc2cc(-c3cnc(C(=O)OC)nc3)cc(-c3ccc(CN4CCNCC4)cc3)c2OC1,NEZCPPWGLZAOMI-UHFFFAOYSA-N
-rxn:5:178467:223056:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3ccc(N4CCC(O)CC4)nc3)c2OC1,GVFPIZAMBJELQS-UHFFFAOYSA-N
-rxn:5:178467:223065:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3ccc(N4CCNCC4)cc3F)c2OC1,OWGZOZYWIHYCFU-UHFFFAOYSA-N
-rxn:5:178467:223131:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3ccc(N4CCNCC4)cc3)c2OC1,QYPNRYXGSIWCAG-UHFFFAOYSA-N
-rxn:5:178467:223203:223131,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3)cc(-c3cccc(C4(O)CCC4)c3)c2OC1,VUZSJJXBBHZOJE-UHFFFAOYSA-N
-rxn:5:178467:223242:225631,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)cc3)cc(-c3ccnc(C4CCNC4)c3)c2OC1,NBOLEOCRHSRGKD-UHFFFAOYSA-N
-rxn:5:178467:223281:225581,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)cc3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,FIFMXDQVHCRKLB-UHFFFAOYSA-N
-rxn:5:178467:225833:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,LNLUIHWSXXPYDM-UHFFFAOYSA-N
-rxn:5:178467:226661:227387,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCC4)c3)cc(-c3cc(N4CCN(C)CC4)cs3)c2OC1,JHQTWUXDHIQBKN-UHFFFAOYSA-N
-rxn:5:178467:226663:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3ccc(N4CCSCC4)nc3)c2OC1,GJGBXLZTPOXASY-UHFFFAOYSA-N
-rxn:5:178467:227278:223000,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)c(F)c3)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,BQUOOQHYXAXCFC-UHFFFAOYSA-N
-rxn:5:178467:227376:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,GZRWUXKLWBPAFK-UHFFFAOYSA-N
-rxn:5:178467:228140:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3ccc(C(C)N(C)C)s3)c2OC1,CCMZQSVVJQDQMP-UHFFFAOYSA-N
-rxn:5:180202:222409:223056,COc1ccc(-c2ccc(OC3CCOCC3)c(-c3ccc(N4CCC(O)CC4)nc3)c2)cc1S(N)(=O)=O,TUWNCANHUNSJQM-UHFFFAOYSA-N
-rxn:5:180202:225805:227803,CC(c1ccc(-c2ccc(OC3CCOCC3)c(-c3ccnn3S(=O)(=O)N(C)C)c2)s1)N1CCOCC1,LYOIKHPHVCZVDY-UHFFFAOYSA-N
-rxn:5:180203:222989:223058,Cc1cc(N2CCNCC2)ccc1-c1cc(OC2CCOCC2)cc(-c2cc(F)nc(C3CCCNC3)c2)c1,FIEWPZMYXOBCHJ-UHFFFAOYSA-N
-rxn:5:180297:225987:227125,COc1cc(-c2ccc(N3CCCS3(=O)=O)cc2)c(C2(C)OCCO2)cc1-c1ccccc1C1CCOC1,WHBNRXRYASTOGA-UHFFFAOYSA-N
-rxn:5:180402:226144:226589,CC(C)c1cnc(C(F)F)cc1-c1cc(-c2ccc(C#C[Si](C)(C)C)cc2)ccc1C(=O)C1CCCCC1,GEXCQVYKSZQAOZ-UHFFFAOYSA-N
-rxn:5:180422:223136:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccncc1C1CCCNC1,JQWIIKLGKGIPDO-UHFFFAOYSA-N
-rxn:5:180506:225886:225818,CC(C)(C)c1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(-c2ccc(C(F)(F)F)cc2C2CC2)c(C2OCCO2)c1,MLDXOOPATFGZDV-UHFFFAOYSA-N
-rxn:5:180506:226582:227336,CC(C)Oc1cc(F)ccc1-c1c(-c2ccc(C(=O)N(C)C)cc2F)cc(C(C)(C)C)cc1C1OCCO1,PILRPUQGGYKFRU-UHFFFAOYSA-N
-rxn:5:180602:225834:223141,COC(=O)C1Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2O1,WNOOCKYNFFRPLP-UHFFFAOYSA-N
-rxn:5:180662:223056:226064,COC(=O)C1=Cc2cc(-c3ccc(C4CCCCC4)cc3)cc(-c3ccc(N4CCC(O)CC4)nc3)c2OC1,ZKEWVZRSXSXALF-UHFFFAOYSA-N
-rxn:5:180662:225834:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,BFCBJJJKELENIQ-UHFFFAOYSA-N
-rxn:5:180662:226144:223141,COC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,AFRCUJZAGFGKLZ-UHFFFAOYSA-N
-rxn:5:181325:225607:223054,CC(c1ccc(-c2cc(S(C)(=O)=O)ccc2-c2ccc(C(C)N3CCC(O)C3)s2)s1)N1CCCCC1,FWLQYILEBJRKFH-UHFFFAOYSA-N
-rxn:5:181626:225653:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2ccc(N3CCCCC3C)nc2)c1C1OCCO1,DHXACXIKHXKCEE-UHFFFAOYSA-N
-rxn:5:181628:225607:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,XWQAVXHOVGRBJT-UHFFFAOYSA-N
-rxn:5:181907:222960:225683,Cc1cc(-c2cc(C)cc(C3OCCO3)c2-c2ccc(C3CCCOC3)nc2C)cc(C2CCNCC2)c1,FSPGJMBVNVIUTC-UHFFFAOYSA-N
-rxn:5:181907:225514:225633,Cc1cc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(N3CCCCCC3)nc2)c(C2OCCO2)c1,WPTNYMGCIKLAPU-UHFFFAOYSA-N
-rxn:5:181908:222960:222960,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2cc(C)cc(C3CCNCC3)c2)cc(C2CCNCC2)c1,KRRXXJAFJQGSCS-UHFFFAOYSA-N
-rxn:5:181908:225407:222985,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(C3CCCNC3)nc2C)cc1C1OCCO1,NGWXNFONBFLGDM-UHFFFAOYSA-N
-rxn:5:181908:225436:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(CN3CCCCC3)cc2)cc(C2CCNCC2)c1,UBMAVAACSMTSQF-UHFFFAOYSA-N
-rxn:5:181908:226661:225926,Cc1cc(-c2cc(N3CCN(C)CC3)cs2)c(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1C1OCCO1,CKZXNCFRCQQOGS-UHFFFAOYSA-N
-rxn:5:182011:222957:226686,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2c(C)cnn2C2CCCCO2)cc(C2CCCNC2)c1,XCNVOLJGRAAJBT-UHFFFAOYSA-N
-rxn:5:182011:226898:225514,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(C2CCOCC2)cc1-c1cccc2c1OCC1(CC1)CO2,GGRBSXYSHSWYKS-UHFFFAOYSA-N
-rxn:5:188460:225638:223063,COC(=O)c1cc([N+](=O)[O-])c(-c2cc(F)nc(C3CCNCC3)c2)cc1-c1ccc(N2CCC(C)CC2)nc1,HKHWGNMXSNYUKA-UHFFFAOYSA-N
-rxn:5:188633:225831:223008,COC(=O)c1c(-c2cnc(N3CCOCC3)c(C)c2)cnc(OC)c1-c1cc(C2CCNCC2)ccc1F,RDJQITMOMGOEHI-UHFFFAOYSA-N
-rxn:5:188873:225833:222960,CON(C)C(=O)c1cc(-c2cc(C)cc(C3CCNCC3)c2)ccc1-c1ccnc(N2CCCCC2)c1F,YGMXNULTTUAHGH-UHFFFAOYSA-N
-rxn:5:188874:225831:223065,CON(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)cc1-c1cnc(N2CCOCC2)c(C)c1,FECRDABURVAAOA-UHFFFAOYSA-N
-rxn:5:188876:226654:222998,CON(C)C(=O)c1cccc(-c2csc(N3CCC(C)CC3)n2)c1-c1cc(F)cc(C2CCCNC2)c1,FUEYZGZQQIGMEQ-UHFFFAOYSA-N
-rxn:5:188930:223135:227657,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1ccc(N2CCOCC2)s1,OLROSHGSVROWON-UHFFFAOYSA-N
-rxn:5:188930:226330:223240,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCCC3)s2)cc1-c1ccc(C2CCNC2)nc1,COTMWCGVFUNDOO-UHFFFAOYSA-N
-rxn:5:188931:223199:223062,COC(=O)c1cc(-c2cccc(C3CCNC3)c2)cc(S(N)(=O)=O)c1-c1cnc(C2CCNCC2)cc1F,MGGAGSCPKQIVMB-UHFFFAOYSA-N
-rxn:5:189208:225944:227513,COc1nc(OC)c(-c2cc(-c3c(F)cc(F)c(OC(C)C)c3F)ccc2C(=O)ON2C(=O)CCC2=O)cc1C,BMRDJSIDFNPIQN-UHFFFAOYSA-N
-rxn:5:189208:226211:225886,CC(=O)N1CCc2cc(-c3ccc(C(=O)ON4C(=O)CCC4=O)c(-c4ccc5c(ccn5S(C)(=O)=O)c4)c3)ccc21,MTFCQRBYWVMIOV-UHFFFAOYSA-N
-rxn:5:189209:223112:225602,CC(C)c1ccc2[nH]ncc2c1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(C3(C#N)CCC3)ccc2F)c1,MUFDSISFIZYAQK-UHFFFAOYSA-N
-rxn:5:189210:223112:225602,CC(C)c1ccc2[nH]ncc2c1-c1cccc(-c2cc(C3(C#N)CCC3)ccc2F)c1C(=O)ON1C(=O)CCC1=O,XGQNEXMOXVVBLH-UHFFFAOYSA-N
-rxn:5:189210:227206:226176,Cc1c(-c2cccc(-c3ccncc3C3CCCCC3)c2C(=O)ON2C(=O)CCC2=O)ccc2c1COC2=O,CHTNBSZSXJCIDZ-UHFFFAOYSA-N
-rxn:5:189320:225671:226664,CC(C)(C)OC(=O)c1cnc(-c2cc(N3CCCC3)ncc2F)c(-c2cc(C3CCCCC3)ncc2F)c1,JVRUUQLXEQVDQA-UHFFFAOYSA-N
-rxn:5:189320:227296:223054,CC(c1ccc(-c2ncc(C(=O)OC(C)(C)C)cc2-c2ccc(OC3CCC3)nc2)s1)N1CCC(O)C1,GOQMJLDSYKRJBP-UHFFFAOYSA-N
-rxn:5:189449:226152:226350,COC(=O)c1c(C)ccc(-c2ccc(-c3cc(C4CC4)cc(OC)c3C)c(C(=O)N3CC(OC)C3)c2)c1C,OBHMDDGBNIVUGM-UHFFFAOYSA-N
-rxn:5:189449:226371:223054,COC1CN(C(=O)c2cc(-c3ccc(C(C)N4CCC(O)C4)s3)ccc2-c2cnc(N3CCCC3)cc2C)C1,KMZTXHJKIAWFSK-UHFFFAOYSA-N
-rxn:5:189666:226211:226863,CC(=O)N1CCc2cc(-c3cc(/C=N/[S@](=O)C(C)(C)C)ccc3-c3ccc(OC(F)(F)F)cc3F)ccc21,DPRJWJKYDSHCDT-VAZMXCMMSA-N
-rxn:5:189670:225407:226915,CC(C)(C)S(=O)/N=C/c1cc(-c2ccc(C3CCCCCC3)cc2)ccc1-c1ccc(C2CCCC2)cc1,ITDIREGXXJKQBV-YRRMYEEHSA-N
-rxn:5:189670:227059:225407,COc1ccc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(/C=N/S(=O)C(C)(C)C)c2)cc1C(C)C,QMMGUDUBRHYMKW-QCFMCPCVSA-N
-rxn:5:189673:226064:226064,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCC3)cc2)cc1-c1ccc(C2CCCCC2)cc1,ZNHHKYCNCAHUMZ-YRRMYEEHSA-N
-rxn:5:189673:226329:222991,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3(C#N)CC3)c(F)c2)cc1-c1ccc(N2CCCC(O)C2)cc1,XIYBKOVXOPKAIN-XZYGTATASA-N
-rxn:5:189676:225437:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2cccc(CN3CCCCC3)c2)c1,LICWXCNLNLXTIN-UHFFFAOYSA-N
-rxn:5:189676:227052:225407,CC(C)(C)Sc1ccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2ccc(C3CCCCCC3)cc2)cc1,UFYNHUOWJVVZTG-UHFFFAOYSA-N
-rxn:5:189829:225671:227837,COc1c(-c2cc(C)cc(C3CC3)c2)cc(C(=O)N2CCCC2)cc1-c1cc(C2CCCCC2)ncc1F,NGESQWMXZRLRAU-UHFFFAOYSA-N
-rxn:5:189829:225804:223215,COc1c(-c2ccc(C(=O)N3CCC3)c(F)c2)cc(C(=O)N2CCCC2)cc1-c1ccc2c(c1)NC(=O)CC2,YSPVZYUKVSRISX-UHFFFAOYSA-N
-rxn:5:189909:223061:225833,Fc1cnc(C2CCNCC2)cc1-c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1CCN1CCOCC1,SVCHEYSKIVABIN-UHFFFAOYSA-N
-rxn:5:190000:226164:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc(N4CCCCC4)cc3)c2)c1,LUSQCFZBGNTXNN-UHFFFAOYSA-N
-rxn:5:190001:227052:226589,CC(C)c1cnc(C(F)F)cc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1ccc(SC(C)(C)C)cc1,QMDGWLXGPJBSEC-UHFFFAOYSA-N
-rxn:5:190128:226141:227057,COc1cccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccccc2OC2CCCC2)c1C1CC1,VPEWYOOSLGIKEJ-UHFFFAOYSA-N
-rxn:5:190128:226150:227911,CCc1ccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cccc(SC3CCCC3)c2)cc1C#N,DHBVLRCHODZBJR-UHFFFAOYSA-N
-rxn:5:190194:226150:227587,COc1cc(-c2c(CN3CCC(OC)CC3)cccc2-c2cccc(SC3CCCC3)c2)cc(F)c1OC,GQMVVSLOCRPKMX-UHFFFAOYSA-N
-rxn:5:190194:226191:227562,COc1ccc(F)c(-c2c(CN3CCC(OC)CC3)cccc2-c2cc(C3CCCC3)ccc2F)c1OC,JINOQXGJAUYCRM-UHFFFAOYSA-N
-rxn:5:190194:226745:225937,CCc1ncc(C(F)(F)F)cc1-c1cccc(CN2CCC(OC)CC2)c1-c1cc(C(F)(F)F)ncc1C(C)C,IRQFFXFNXMQMTG-UHFFFAOYSA-N
-rxn:5:190194:227506:226139,COC1CCN(Cc2cccc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2-c2cc(C3CC3)cnc2C2CC2)CC1,PKGJCTGSECTGMM-SFQUDFHCSA-N
-rxn:5:190194:227507:226139,COC1CCN(Cc2cccc(-c3cccc(C=C[N+](=O)[O-])c3)c2-c2cc(C3CC3)cnc2C2CC2)CC1,PKGJCTGSECTGMM-UHFFFAOYSA-N
-rxn:5:190195:225464:228335,COc1ccnc(OC)c1-c1cc(CN(C)C2CCOCC2)ccc1-c1cccc(N2CCCC(C)C2)c1,OVYLXDSWLPFUKN-UHFFFAOYSA-N
-rxn:5:190197:223006:223113,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccc(F)c(C2CCNCC2)c1)C1CCOCC1,SBBOJFWVXOGDKS-UHFFFAOYSA-N
-rxn:5:190198:227045:226176,CN(Cc1c(-c2cccc(SC(C)(C)C)c2)cccc1-c1ccncc1C1CCCCC1)C1CCOCC1,NYIMZJTYMLNMBW-UHFFFAOYSA-N
-rxn:5:190307:222995:223435,COC(=O)c1ccc(-c2ccc(-c3cccc(N4CCCC(O)C4)c3)cc2CCN2CCC(C)CC2)[nH]1,GJVMNTYVWHMOQU-UHFFFAOYSA-N
-rxn:5:190307:225454:225886,CC1CCN(CCc2cc(-c3ccc(C4=CCN(C)CC4)cc3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,CVKDKJUFPAQZNE-UHFFFAOYSA-N
-rxn:5:190308:223054:226600,CCOc1c(F)c(C)cc(-c2ccc(-c3ccc(C(C)N4CCC(O)C4)s3)cc2CCN2CCCC(C)C2)c1F,BTZCINQWGLGHBU-UHFFFAOYSA-N
-rxn:5:190309:225601:225886,CC1CCCCN1CCc1cc(-c2ccc(C3(C#N)CCC3)cc2F)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1,RHULORQFKYYUST-UHFFFAOYSA-N
-rxn:5:190337:227045:227933,CCc1ccc(OC)cc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cccc(SC(C)(C)C)c2)c1OC,YDEACWMTUNAHDU-UHFFFAOYSA-N
-rxn:5:190418:223058:223421,CNC(C)c1ccc(-c2ccc(N3C(=O)CC(Cc4ccc(-c5cc(F)nc(C6CCCNC6)c5)cc4)C3=O)c(C)c2)s1,GUTFAOFNJHZZKE-UHFFFAOYSA-N
-rxn:5:190421:225636:227566,COc1ccc(-c2cccc(N3C(=O)C(=Cc4ccc(-c5ccc(-c6ccnc(N7CCC(C)CC7)c6)cc5)o4)SC3=S)c2)c(OC)c1F,OSLWMCKBPPXABM-UHFFFAOYSA-N
-rxn:5:190484:223141:228965,O=C(c1cccc(-c2cncc(C3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,DAJBKHXXODIUPF-UHFFFAOYSA-N
-rxn:5:190484:223384:223242,CNC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnc(C5CCNC5)c4)S(=O)(=O)CC3)c2)cn1,HQMQLKZIXDFASW-UHFFFAOYSA-N
-rxn:5:190484:223427:226848,COc1ccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccccc4/C=N/O)c3)CCS2(=O)=O)c(C(F)(F)F)n1,ISPJILOCDZXBSZ-ZSNJKBEMSA-N
-rxn:5:190484:225395:227980,CC(C)(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CC5)cc4F)S(=O)(=O)CC3)c2)cc(C2CC2)c1,WWKKFTNGXFBJRP-UHFFFAOYSA-N
-rxn:5:190484:225395:228437,CC(C)(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(F)F)cc4F)S(=O)(=O)CC3)c2)cc(C2CC2)c1,LQDWHGXNQADBDX-UHFFFAOYSA-N
-rxn:5:190484:227124:227808,CC(C)(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc5c(c4)CCCC5)S(=O)(=O)CC3)c2)c(F)c1,YVGCKPYNQBMYEK-UHFFFAOYSA-N
-rxn:5:190484:227412:228415,CC(C)(C)c1cc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(F)ccc4C(F)F)S(=O)(=O)CC3)c2)cn1,MMTGKDAXMOJSBQ-UHFFFAOYSA-N
-rxn:5:190484:227810:227415,CCC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C)nc4F)S(=O)(=O)CC3)c2)cc1,PNUACXSSVWBSID-UHFFFAOYSA-N
-rxn:5:190484:227909:227409,CCC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)ccn1,QFKLXIMMDBADOO-UHFFFAOYSA-N
-rxn:5:190484:227964:226710,CC1(c2cncc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc(F)c([Si](C)(C)C)c5F)S(=O)(=O)CC4)c3)c2)CC1,QZNPDNOXKBWKTE-UHFFFAOYSA-N
-rxn:5:190484:228562:227311,CCC(C)c1csc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(C(C)CC)cc4F)S(=O)(=O)CC3)c2)c1,XDYTVHALLCHMGA-UHFFFAOYSA-N
-rxn:5:190585:223001:223054,CCOC(=O)c1[nH]c2cc(-c3ccc(C(C)N4CCC(O)C4)s3)ccc2c1-c1cc(C2CCCNC2)ccc1F,DMXGWJRWHKQVRV-UHFFFAOYSA-N
-rxn:5:190585:225874:223054,CCOC(=O)c1[nH]c2cc(-c3ccc(C(C)N4CCC(O)C4)s3)ccc2c1-c1ccc(F)c(N2CCOCC2)c1,UIIANBPTVMWZQF-UHFFFAOYSA-N
-rxn:5:190681:222998:225799,CC(=O)Oc1cn(C(C)=O)c2cc(-c3cncc(OC4CCOCC4)c3)c(-c3cc(F)cc(C4CCCNC4)c3)cc12,RMVIRZYHPGJHPG-UHFFFAOYSA-N
-rxn:5:190740:225636:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCC(C)CC4)c3)cc2c1-c1cnc(N2CCCCC2)cc1F,KPSDZOSGVZNXAV-UHFFFAOYSA-N
-rxn:5:190740:225638:225833,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(C)CC4)nc3)cc2c1-c1ccnc(N2CCCCC2)c1F,CROFHHXZQUNIEV-UHFFFAOYSA-N
-rxn:5:190740:225638:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(C)CC4)nc3)cc2c1-c1cnc(N2CCCCC2)cc1F,SYIMTUBZRCGYRA-UHFFFAOYSA-N
-rxn:5:190740:225639:225833,CCOC(=O)c1cnc2c(C)cc(-c3cccnc3N3CCC(C)CC3)cc2c1-c1ccnc(N2CCCCC2)c1F,MDNJOBZDCGCESR-UHFFFAOYSA-N
-rxn:5:190740:225639:225849,CCOC(=O)c1cnc2c(C)cc(-c3cccnc3N3CCC(C)CC3)cc2c1-c1cnc(N2CCCCC2)cc1F,JKPLJHSTHBJYHS-UHFFFAOYSA-N
-rxn:5:190740:225794:222996,CCOC(=O)c1cnc2c(C)cc(-c3cnc(OC4CCCCC4)nc3)cc2c1-c1ccc(F)cc1C1CCCNC1,VBGBOZBOZHNNLG-UHFFFAOYSA-N
-rxn:5:190740:226330:225833,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C(C)N4CCCC4)s3)cc2c1-c1ccnc(N2CCCCC2)c1F,PTAQRIQLVVBZHX-UHFFFAOYSA-N
-rxn:5:190740:226427:225849,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCC(C)CC4)cs3)cc2c1-c1cnc(N2CCCCC2)cc1F,RVOFCZPTLCHVOE-UHFFFAOYSA-N
-rxn:5:190741:222984:223064,CCOC(=O)c1cnc2c(-c3ccc(CN4CCC(O)C4)cc3)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,BQOIBAWRWPRGQJ-UHFFFAOYSA-N
-rxn:5:190741:225982:225655,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1cncc(N2CCC(C)CC2)c1,YFFYTIZKBCZESQ-UHFFFAOYSA-N
-rxn:5:190742:223061:225978,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccc(N2CCOCC2)nc1F,DJXUZLIFODZYAD-UHFFFAOYSA-N
-rxn:5:190742:225454:223064,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4=CCN(C)CC4)cc3)c2c1-c1ccc(C2CCNCC2)nc1F,RTSRSCDLWPIQQZ-UHFFFAOYSA-N
-rxn:5:190742:225636:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCC(C)CC4)c3)c2c1-c1cnc(N2CCCCC2)cc1F,AETKAOJEGOKYEX-UHFFFAOYSA-N
-rxn:5:190742:225638:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(C)CC4)nc3)c2c1-c1ccnc(N2CCCCC2)c1F,IMZXEFRKOFYKPJ-UHFFFAOYSA-N
-rxn:5:190742:225802:222988,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(OC4CCCC4)nc3F)c2c1-c1cc(C)nc(C2CCNCC2)c1,QTKMNMLMURDFTP-UHFFFAOYSA-N
-rxn:5:190743:223062:225834,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,MQRPAPRTTGBWHR-UHFFFAOYSA-N
-rxn:5:190743:225656:225834,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCCCC4C)c3)ccc2c1-c1cc(N2CCCCC2)ncc1F,UCKCFTHNWUVANK-UHFFFAOYSA-N
-rxn:5:190743:225834:225633,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1ccc(N2CCCCCC2)nc1,JWYUHKWXFWHGKB-UHFFFAOYSA-N
-rxn:5:190744:223064:223062,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,GGJFZIHVCDMTPP-UHFFFAOYSA-N
-rxn:5:190744:225638:225833,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(C)CC4)nc3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,IQPFAGLUNSIFRS-UHFFFAOYSA-N
-rxn:5:190744:225833:225978,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1ccc(N2CCOCC2)nc1F,LDFGAKDBVFJGAX-UHFFFAOYSA-N
-rxn:5:190744:226426:225834,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(C)CC4)s3)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,NIHSFSAPGZCRQP-UHFFFAOYSA-N
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-rxn:5:193382:228870:223063,COC(=O)c1csc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(F)nc(C4CCNCC4)c3)c2)c1,MSJJQCIXAYWXHA-UHFFFAOYSA-N
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-rxn:5:194791:228108:228790,CCc1ncc(C#N)cc1-c1ccccc1N1C(=O)C2C(c3ccc(-c4cccc(C(F)F)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,SUECYRLZCBTKRA-UHFFFAOYSA-N
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-rxn:5:196408:226686:226571,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cnn(CC3CCOCC3)c2)ccc1C1=NOCCO1,WUMZRGIRVPDXTR-UHFFFAOYSA-N
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-rxn:5:196533:223132:225595,O=C1CC(c2ccc(F)c(CN3CCCC3)c2)C(=O)N1c1ccc(-c2cccc(N3CCNCC3)c2)cc1,AERRCXURKYHZGC-UHFFFAOYSA-N
-rxn:5:196859:223140:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1ccnc(C2CCCNC2)c1,STMRKCIHZNYPOD-UHFFFAOYSA-N
-rxn:5:196859:225472:226686,Cc1cnn(C2CCCCO2)c1-c1nccc(C2CCOCC2)c1-c1cccc(N2CCCCC2C)c1,WUQSMBXWWCTJRC-UHFFFAOYSA-N
-rxn:5:196970:225832:226374,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1cncnc1C1CCCCC1,SBRNEFYDLRQXDY-UHFFFAOYSA-N
-rxn:5:197169:222987:225926,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc2c1OCC(C#N)=C2,MAXJQEOLZNNMCZ-UHFFFAOYSA-N
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-rxn:5:197876:223191:225814,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cccc(C4(C(F)(F)F)CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,ZLQCUHJQYNTOFN-UHFFFAOYSA-N
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-rxn:5:197876:225498:227836,Cc1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C2CC2)c1,QRAGMTQLRNJCSY-UHFFFAOYSA-N
-rxn:5:197876:225499:228791,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,KHXJCXQFQVXEOL-UHFFFAOYSA-N
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-rxn:5:197876:225591:228516,CCc1cc(C)cc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YGZLEXSEJCYWIU-UHFFFAOYSA-N
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-rxn:5:197876:225601:228579,Cc1ccc(C#N)c(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VTPKHUGRGVHRKZ-UHFFFAOYSA-N
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-rxn:5:197876:225603:227922,CCc1cc(OC)ccc1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,CGQUXKVHJODGNY-UHFFFAOYSA-N
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-rxn:5:197876:225816:227087,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2cc(C4CC4)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UJUPIKHAUOAQQS-UHFFFAOYSA-N
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-rxn:5:197876:225833:228561,CSCc1cccc(-c2cc3c(cc2-c2ccnc(N4CCCCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ICVZKQYKTZXVEF-UHFFFAOYSA-N
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-rxn:5:197876:225849:228505,CCCc1ccc(-c2cc3c(cc2-c2cnc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,PQUJTQAFBOOJKD-UHFFFAOYSA-N
-rxn:5:197876:225881:227811,CC(C)Cc1ccc(-c2cc3c(cc2-c2ccc(C4CCOCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,PTKRDMOBLVXSRL-UHFFFAOYSA-N
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-rxn:4:178926:223497,CC(c1ccc(-c2cc(C(F)F)cc(C(F)F)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,MUDHFQDDVZRXKW-UHFFFAOYSA-N
-rxn:4:179257:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(C4(C(F)F)CO4)cc3)c2)CC1,FCBKXRYNTJVXAX-UHFFFAOYSA-N
-rxn:4:180086:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccccc3C(=O)C(C)(C)C)cc21,ZZYRVNIZDBZUCW-UHFFFAOYSA-N
-rxn:4:180369:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C3CCCOC3)c(C(F)(F)F)c2)c1,KFRMZSOVNNVYOG-UHFFFAOYSA-N
-rxn:4:180430:222514,COc1ccc(-c2ccc(S(=O)(=O)C3CCCCC3)cc2)cc1S(=O)(=O)NC1CCCCC1,CLEMNWBTNUVEFI-UHFFFAOYSA-N
-rxn:4:180492:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(C4CCCOC4)ccc3C3CC3)cc2[N+](=O)[O-])CC1,VZDGPLLNNQSFKO-UHFFFAOYSA-N
-rxn:4:180511:223840,COc1ccc(-c2ccc(CC3CCCCC3)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,WZECKQDTEITRDU-UHFFFAOYSA-N
-rxn:4:180641:223559,COC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c2c1OCC=C2,PZZZPVXWVHHTTA-UHFFFAOYSA-N
-rxn:4:180788:223498,Cc1cc(C)cc(S(=O)(=O)c2cc3cc(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)ccc3oc2=O)c1,BCWKGAZLUFTZMK-UHFFFAOYSA-N
-rxn:4:180815:225054,COc1ccc(-c2ccc(N3CCCCC3C)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2,DQUBWFBNOUTTLU-UHFFFAOYSA-N
-rxn:4:181376:223503,Cc1c(F)ccc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c1C(F)(F)F,LUDOEMHUPZFTQL-UHFFFAOYSA-N
-rxn:4:181778:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3-c3ccc(F)cc3)c(F)c2)CC1,YSGURQFRLFPISV-UHFFFAOYSA-N
-rxn:4:182106:223491,Cc1c(F)c(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc(C2OCC(C)(C)CO2)c1F,DHGOIGZAKXOFJO-UHFFFAOYSA-N
-rxn:4:182230:222546,O=C1CCOc2c1cc(C(F)(F)F)cc2-c1ccc(OCCNC2CCCCC2)c(F)c1,HEXPICVTEAGLFC-UHFFFAOYSA-N
-rxn:4:182376:224599,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C(=O)C5CCCCC5)ccc4F)cc3C2=O)C[C@@H]1C,XMEPJVJEWMPJIO-LEPFYUETSA-N
-rxn:4:183271:224323,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCO3)cc(C)c1S(=O)(=O)N1CCCC1,VQBQNOYCRKHKOD-UHFFFAOYSA-N
-rxn:4:183271:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCO2,QOCQFWFSIBOXSD-UHFFFAOYSA-N
-rxn:4:183271:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCO2,GTWRGDFSRDEIEL-UHFFFAOYSA-N
-rxn:4:183271:224771,Cc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)cc1S(=O)(=O)N1CCCC1,IVXJORIYXOZWEG-UHFFFAOYSA-N
-rxn:4:183271:224773,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCO3)ccc1S(=O)(=O)N1CCCC1,YLNPGSPSJLSRSG-UHFFFAOYSA-N
-rxn:4:183272:223192,CNS(=O)(=O)c1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)ccc1F,IWTHQWYIFPKBES-UHFFFAOYSA-N
-rxn:4:183272:225661,Cc1cc(N2CCOCC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,SZTIMVQODUSCBW-UHFFFAOYSA-N
-rxn:4:183274:225448,Cc1ccc(OC2CCCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,REHZOAJREPDMSA-UHFFFAOYSA-N
-rxn:4:183274:227148,Cc1cc2c(cnn2C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,OQKMPOAVQUKPSE-UHFFFAOYSA-N
-rxn:4:183542:224243,CCOC(=O)Cc1cc(-c2cc(F)cc(C(=O)N3CCCCC3C)c2)c(C#N)cc1C(F)(F)F,AYWXTMFHBRQXBK-UHFFFAOYSA-N
-rxn:4:183603:224714,CCCCOc1ccc(-c2cc(OC(F)(F)F)ccc2OCCN(C)C)cc1C(F)(F)F,ZECSPFMCNXHXOD-UHFFFAOYSA-N
-rxn:4:183621:224088,CCN(CC)C(=O)COc1ccc(Cl)cc1-c1ccc(OCCN2CCCCCC2)cc1,XYVHPDOTDPIXDV-UHFFFAOYSA-N
-rxn:4:183693:224171,COC(=O)C1CN(Cc2cc(-c3ccc(OCCCN4CCCC4)c(F)c3)ccc2OC(F)(F)F)C1,MPJKYWOKWMHBJZ-UHFFFAOYSA-N
-rxn:4:183704:222841,O=C(NC1CCCC1)c1ccc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(F)(F)F)c(F)c2)cc1,KSRRUUSJCIGSER-FQEVSTJZSA-N
-rxn:4:183710:222439,CCN(CC)Cc1cc(C(=O)OC)cc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c1,MJTQYTLKELJISX-UHFFFAOYSA-N
-rxn:4:183731:226244,CCCCOc1cccc(F)c1-c1ccc(OC(F)(F)F)cc1OCCN1CCC(F)(F)C1,IWASPRYLYCKAJX-UHFFFAOYSA-N
-rxn:4:183731:227250,CCCOc1cc(Cl)ccc1-c1ccc(OC(F)(F)F)cc1OCCN1CCC(F)(F)C1,RSPORLJCMCCTGW-UHFFFAOYSA-N
-rxn:4:183751:226514,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3cc(C(=O)OC)ncc3CC)c2)SC1=S,SDSDCSNFKOTUJH-UHFFFAOYSA-N
-rxn:4:183763:223080,CC(C)NS(=O)(=O)c1ccc(-c2cc(F)ccc2N(OC(=O)OC(C)(C)C)C2CC2)cc1,SXEOYMRGUAIRRF-UHFFFAOYSA-N
-rxn:4:183785:224691,CCCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(C(=O)N3CC4(COC4)C3)cc2)c(Cl)c1,QSDYCAAPSAYYNR-UHFFFAOYSA-N
-rxn:4:183824:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)c(Cl)c2)cc1,OQUSXWIYMCFEEB-UHFFFAOYSA-N
-rxn:4:183826:223738,CC(C)(C)OC(=O)N(Cc1cccc(-c2ccc3cc(O[Si](C)(C)C(C)(C)C)ccc3c2)c1Cl)C1CC1,QWUPOUBSJRGZSZ-UHFFFAOYSA-N
-rxn:4:183831:222899,CCCCNS(=O)(=O)c1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1,BLLUYOILPDOVAY-UHFFFAOYSA-N
-rxn:4:183839:224063,COC(=O)C1CCCCN1C(=O)COc1ccc(-c2cc(C3CC3)cc(N3CCCC(C)C3)c2)cc1,QYMHWKKFPKKFHR-UHFFFAOYSA-N
-rxn:4:183848:222622,CCC(C)c1cc(-c2ccc(S(=O)(=O)CC(=NOC)c3ccc(OC)cc3)cc2)cc(C2CCCNC2)n1,WUKVPCRNLAKUTF-UHFFFAOYSA-N
-rxn:4:183863:222454,COC(=O)CN1CCCC(COc2ccc(-c3ccccc3NC(=O)c3cccc(C(F)(F)F)c3)cc2)C1,NAEKYZIHARDCQY-UHFFFAOYSA-N
-rxn:4:183866:222913,CCOC(=O)c1c(C)c(-c2ccc(CNS(=O)(=O)C3CC3)cc2)c(C)n1C(=O)OC(C)(C)C,GRWJSGVCBMQMAN-UHFFFAOYSA-N
-rxn:4:183875:223108,CC(C)CNCc1ccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)c(Cl)c2)cc1,NTWGIYRCVLHKSH-UHFFFAOYSA-N
-rxn:4:183877:225294,CCN1CCN(c2ncc(-c3c(Cl)cccc3OCC3CN(C(=O)OC(C)(C)C)C3)cn2)CC1,UDDINZOEOZPURY-UHFFFAOYSA-N
-rxn:4:183892:225430,CCCCOc1cc(C)c(-c2cc(OCCN3CCC(F)(F)CC3)cc(C(=O)OC)c2)c(C)c1,VHWVTLQWCNORHX-UHFFFAOYSA-N
-rxn:4:183913:225898,CC1CCCCN1CCOc1ccc(OC(F)(F)F)cc1-c1cnn(CCN2CCOCC2)c1,YVFVQETVEKIZCC-UHFFFAOYSA-N
-rxn:4:183930:222869,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CC2)c(-c2ccc(F)c(C(=O)NCC(C)C)c2)c1,SCVJIQOANOXLNT-UHFFFAOYSA-N
-rxn:4:183944:222684,CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)C1,GAYQYRAJWWRZIJ-UHFFFAOYSA-N
-rxn:4:183960:222851,CCc1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)cc(C2CCNCC2)n1,IBHHSQIFBZOUTH-UHFFFAOYSA-N
-rxn:4:183965:226519,COC(=O)c1cc(OCCN2CCCC(C)C2)cc(-c2cc(OC)c(OC)c(OC)c2)c1,PVFJHIUKZSAWIH-UHFFFAOYSA-N
-rxn:4:183967:224953,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(OCC4CCCCC4)nc3)ccc2Cl)C1,ASUFZEWZXKYZRP-UHFFFAOYSA-N
-rxn:4:184001:223181,CCNS(=O)(=O)c1cccc(-c2ccc(C3(C(=O)OC)CCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)c1,NKMYWWWAOIAIDM-UHFFFAOYSA-N
-rxn:4:184001:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1ccc(C2(C(=O)OC)CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,FUHGCUXZBBMDPV-UHFFFAOYSA-N
-rxn:4:184001:227886,CCCOc1ccccc1-c1ccc(C2(C(=O)OC)CCN(C(=O)OC(C)(C)C)C2)c(Cl)c1,VXOIDEPFSNRIOV-UHFFFAOYSA-N
-rxn:4:184017:226265,COCCOc1cc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1C,RVAMRKRCORGSGJ-UHFFFAOYSA-N
-rxn:4:184019:226561,COc1cc(OC)c(-c2c(C)cc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2C)cc1OC,OTEQLJKVIBJTDW-UHFFFAOYSA-N
-rxn:4:184020:222436,Cc1cc(-c2cccc(C(=O)Nc3cccc(OC(F)(F)F)c3)c2)ccc1OC[C@@H]1CCCN1C(=O)OC(C)(C)C,BGNDNHZDJRXQAO-VWLOTQADSA-N
-rxn:4:184071:227110,Cc1cc(Cl)c(-c2cccc(S(=O)(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C1CC1,NILNZPXJZJEGCO-UHFFFAOYSA-N
-rxn:4:184082:222438,COc1ccc(C=C2N=C(c3cccc(-c4cc(C(=O)Nc5cc([N+](=O)[O-])ccc5F)ccc4Cl)c3)OC2=O)cc1OCc1ccc(F)cc1,DWFXZJICGMXJQH-UHFFFAOYSA-N
-rxn:4:184096:225081,CC1(C)CCC(N(Cc2ccc(-c3ccc(OC(F)F)c4ccccc34)cc2)C(=O)OC(C)(C)C)CC1,GHYUUWBIGWDZSQ-UHFFFAOYSA-N
-rxn:4:184097:222843,Cc1ccc(-c2ccc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)cc2)c(C(=O)NC(C)(C)C)c1,RHIMAARFRODVDX-UHFFFAOYSA-N
-rxn:4:184097:223024,CCCNC(=O)c1cc(-c2ccc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)cc2)ccc1F,MWEGNVYVOFRYGZ-UHFFFAOYSA-N
-rxn:4:184099:223078,CCNS(=O)(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c(C)c1,SYFROXIIZBFMFX-UHFFFAOYSA-N
-rxn:4:184099:229015,CC(C)c1sccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,MSZXQPRPNHVAFZ-UHFFFAOYSA-N
-rxn:4:184100:226113,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(C(=O)CC(C)C)cc2)c1,AVWGHDOFUZDAFV-UHFFFAOYSA-N
-rxn:4:184100:228509,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc(C(C)C)cc2)c1,JPSXAPLLURGFSX-UHFFFAOYSA-N
-rxn:4:184123:223653,COc1cc2cc(-c3c(F)cccc3OCCCCN3C(=O)c4ccccc4C3=O)n(C(=O)OC(C)(C)C)c2cc1Cl,YRIHMRQPJCGTJJ-UHFFFAOYSA-N
-rxn:4:184183:223888,COc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1CCC(=O)N1C2CCC1CC(SC)C2,VRSDRZYGPNLNPX-UHFFFAOYSA-N
-rxn:4:184185:225274,COCCOc1c(F)cc(-c2cc(N(C(C)=O)S(=O)(=O)c3ccc(C)cc3)c3ccccc3c2OC(C)=O)c(C)c1F,LQWDVEWTSRWYHU-UHFFFAOYSA-N
-rxn:4:184199:222507,COc1ccc(NC(=O)c2ccc(F)c(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCOC4)c4ccccc34)c2)cc1,GAACUMXWBAEBSF-UHFFFAOYSA-N
-rxn:4:184238:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(Cl)cc2)N(CCCOC(C)C)C4=O)c1,LISCASCBXOGCKZ-UHFFFAOYSA-N
-rxn:4:184273:224958,N#Cc1ccc(OC(C(F)(F)F)C(F)(F)F)cc1-c1cccc(OCC2CCCCO2)c1,DJHFHZVGLMPIEB-UHFFFAOYSA-N
-rxn:4:184309:225756,COC(=O)c1cc(-c2cccc(OC(C(F)(F)F)C(F)(F)F)c2[N+](=O)[O-])c(C(C)C)cn1,QHZFVELMJDWXPB-UHFFFAOYSA-N
-rxn:4:184386:222545,COC(=O)Cc1cc(C#N)cc(C(F)F)c1-c1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1,RJCJQJWBZMLPPS-UHFFFAOYSA-N
-rxn:4:184390:223574,COC(=O)Cc1ccc(C(F)F)c(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C#N,JANAPXBTJSPAEQ-UHFFFAOYSA-N
-rxn:4:184483:223493,CCOC(=O)c1ccc(C#N)c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c1C(F)(F)F,HAOAYUHFYUUKEX-UHFFFAOYSA-N
-rxn:4:184492:224713,CCCCOc1ccc(-c2c(C#N)cc(C(=O)OCC)cc2C(F)(F)F)c(C(F)(F)F)c1,TTWZCFYDRMOYGJ-UHFFFAOYSA-N
-rxn:4:184522:223696,COC(=O)Cc1cc(OC)cc(C#N)c1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,JAPPUUQLXLUSTM-UHFFFAOYSA-N
-rxn:4:184542:223866,COC(=O)Cc1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c(C#N)c1OC,CEDYDYXVMKXCLO-UHFFFAOYSA-N
-rxn:4:184693:223932,CC(C)(C)OC(=O)n1c(-c2cc(OC(F)(F)F)cc(S(=O)(=O)C(C)(C)C#N)c2)cc2c(Cl)cccc21,GPNPGDATCIJZGF-UHFFFAOYSA-N
-rxn:4:184745:223028,CCCNC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCC3(F)F)c(OCC(F)F)c2)c1,ZFECSCSSTFUONQ-UHFFFAOYSA-N
-rxn:4:184840:222573,CCN(CC)S(=O)(=O)c1ccc(-c2cc(F)cc(C(=O)NCC3CCCCC3)c2)c(C(F)(F)F)c1,WBFWJASSQYBMMC-UHFFFAOYSA-N
-rxn:4:184894:222970,CCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccccc3C(=O)NCC(C)C)c2)SC1=S,CXPSBJNQJIYMMT-UHFFFAOYSA-N
-rxn:4:184916:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)N4CCC4)c(OCC4CC4)c3)c(F)c2)CC1,IREVHMXIJPZQFR-AQYVVDRMSA-N
-rxn:4:185025:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cc2)cc1F,NCWUIJSQLRJYBJ-UHFFFAOYSA-N
-rxn:4:185045:222972,CC(C)(C)OC(=O)N1CC(Oc2ccc(Cl)c(-c3ccccc3NC(=O)C(C)(C)C)c2)C1,GTAOOOOBLGTXNV-UHFFFAOYSA-N
-rxn:4:185046:224410,Fc1cc(-c2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)ccc1OCCCN1CCC(F)(F)CC1,UTXYPVLSLZKAEJ-UHFFFAOYSA-N
-rxn:4:185071:224312,COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(-c4ccc(F)c(C(=O)N5CCN(C)CC5)c4)o3)C2)cc1,UOLRYRZJCXAOGM-UHFFFAOYSA-N
-rxn:4:185080:222809,CC(c1cccc(-c2cc(Cl)ncc2NC(=O)OC(C)(C)C)c1)N(C)C(=O)OC(C)(C)C,PLEGEQIPXMBTAB-UHFFFAOYSA-N
-rxn:4:185086:224802,COC(OC)c1ccc(-c2ccc(OCCCN3CCOCC3)c(C)c2)c(C(F)(F)F)c1,VREDBIQJGFMABS-UHFFFAOYSA-N
-rxn:4:185107:223034,CC(C)S(=O)(=O)c1ncc(-c2cncc(C(=O)NC(C)(C)C)c2)cc1C(=O)OC(C)(C)C,AYRALADCAYSVEP-UHFFFAOYSA-N
-rxn:4:185116:228470,O=C(CS(=O)(=O)c1ccccc1-c1cc([N+](=O)[O-])ccc1Cl)N1CCC(C(F)(F)F)CC1,AVKPSXLUILDDHJ-UHFFFAOYSA-N
-rxn:4:185143:224462,CC(C)CC(=O)N(c1ccc(-c2ccc(C3CCN(C4CC4)CC3)cc2)cc1)C1C=CS(=O)(=O)C1,MPZDNJHQVWZGDY-UHFFFAOYSA-N
-rxn:4:185145:223102,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3ccsc3S(=O)(=O)NC(C)(C)C)cc2)C1,NRYKNKJEKHKTGP-UHFFFAOYSA-N
-rxn:4:185147:225939,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cnc(C(F)(F)F)c(C(C)C)c2)C1,SRJCDPNLFHOJBJ-UHFFFAOYSA-N
-rxn:4:185150:225575,COC(=O)c1ccc(-c2ccccc2S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)cc1C1CC1,PPKXMXOLESQGNO-UHFFFAOYSA-N
-rxn:4:185158:223279,COC(=O)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2cnc(C3CCCN3)nc2)c1,BBHNCPBHGOYCTB-UHFFFAOYSA-N
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-rxn:4:185688:223982,CCOC(=O)c1nc(C(F)(F)F)c(-c2ccc(N3CCN(S(=O)(=O)CC)CC3)cc2)s1,CZKWCYUIINOVKR-UHFFFAOYSA-N
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-rxn:4:187111:224193,CCN1CCN(Cc2cc(-c3cc(CCN4CCOCC4)ccc3OC)ccc2F)CC1,NPUXZDPIXIVRRI-UHFFFAOYSA-N
-rxn:4:187144:222394,O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2cc(CC(=O)N3CCCC(C(F)(F)F)C3)ccc2Cl)cc1,NJUNVLGLFYUNDJ-JTKSQVOZSA-N
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-rxn:4:187156:223911,CCOC(=O)C1(c2ccc(-c3ccccc3S(=O)(=O)CC(=O)N3CCC(F)(F)CC3)cc2)CCOCC1,XBUAJFGTNGHGIG-UHFFFAOYSA-N
-rxn:4:187158:223815,O=C(CS(=O)(=O)c1cccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)c1)N1CCC(F)(F)CC1,CDHOZZICASOZJJ-UHFFFAOYSA-N
-rxn:4:187210:223812,COC(=O)C1CCN(Cc2cc(F)ccc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)CC1,PYKSOJCMBFSVBC-UHFFFAOYSA-N
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-rxn:4:187312:224254,CC1CCN(CCOc2c(F)cc(Cl)cc2-c2ccc(F)c(C(=O)N3CCCC(C)C3)c2)CC1,QXUZFFCXCAIKAC-UHFFFAOYSA-N
-rxn:4:187319:225262,COc1cc(C(=O)N(C)OC)ccc1-c1cccc(OC(C)C)c1CN1CCC(F)(F)C1,CDKPKYXYKWWKKI-UHFFFAOYSA-N
-rxn:4:187418:224684,CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(C(=O)N4CCC(=O)CC4)cc3)c2)C1,YMUUGQRWCYGIEC-UHFFFAOYSA-N
-rxn:4:187425:225303,COC(=O)c1ccc(-c2cc(C(C)(C)C)nc(C(F)(F)F)c2)cc1CN1CCC(C)CC1,NZBHSLWITCPZMN-UHFFFAOYSA-N
-rxn:4:187481:224829,COC(=O)c1ccc(-c2ccc(OC)c(S(=N)(=O)CC3(C)CCOCC3)c2)cc1OC(F)(F)F,ZIIYMLCYPKRJCV-UHFFFAOYSA-N
-rxn:4:187500:225333,COc1cc(-c2ccc(COCC(F)(F)F)c(F)c2)cc(OC)c1C(=O)N1CCCCC1C,ZHALCUMZRWNISN-UHFFFAOYSA-N
-rxn:4:187506:225898,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cnn(CCN4CCOCC4)c3)c(F)c2)C1,VQGLJPBCYQJYGR-UHFFFAOYSA-N
-rxn:4:187512:222465,O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,MPEFEFJZOZFJEW-UHFFFAOYSA-N
-rxn:4:187543:224615,COc1cc(-c2cccc(OCCN3CCOCC3)c2)cc(OC)c1CN1CCCC(C)C1,ZAQKVUGPHSTDRW-UHFFFAOYSA-N
-rxn:4:187550:223993,COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,COFNXKLNERPVIU-UHFFFAOYSA-N
-rxn:4:187557:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc([C@H]4CCCC(=O)N4C(=O)OC(C)(C)C)cc3)c(F)ccc21,IGUWYRIHULNTHW-MUUNZHRXSA-N
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-rxn:4:187561:225531,CCN(CC)Cc1cc(F)ccc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,WSGZHLUIVJXLJQ-UHFFFAOYSA-N
-rxn:4:187595:224826,CCOC(=O)c1cc(-c2cc(F)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1C(F)(F)F,SOXPXJFGPJUJOF-UHFFFAOYSA-N
-rxn:4:187634:222624,CC(C)Cc1cc(-c2ccc(N(C(=O)C3CCCCC3)C3C=CS(=O)(=O)C3)cc2)cc(C2CCNCC2)n1,UKBMJNPIJIGEPS-UHFFFAOYSA-N
-rxn:4:187656:224665,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2ccc(F)cc2CN2CCN(C)CC2)cc1C,NTFSNRSLQCVSJF-UHFFFAOYSA-N
-rxn:4:187661:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cc1,KECXZZYUCHIVSC-UHFFFAOYSA-N
-rxn:4:187661:224076,Cc1c(-c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cccc1C1CCN(C(=O)OC(C)(C)C)CC1,AEQDHKKDSBKEFX-UHFFFAOYSA-N
-rxn:4:187668:224613,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2cccc(N(C)C(=O)OC(C)(C)C)c2)cc1,VONGUVQYELYETO-UHFFFAOYSA-N
-rxn:4:187671:226027,CN(C)S(=O)(=O)c1cc(-c2cc(CN3CCC(C(F)(F)F)CC3)cc(C(C)(C)C)c2)ccc1F,ZLHJJYLEWOTTON-UHFFFAOYSA-N
-rxn:4:187682:222444,COc1ccc(F)cc1C(=O)NCc1ccc(-c2cccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)c2)cc1,IMHDHPMMVADPLK-UHFFFAOYSA-N
-rxn:4:187685:224276,CC(C)(C)OC(=O)n1cc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2)c2ncccc21,VZJQPYSJGWJWGO-UHFFFAOYSA-N
-rxn:4:187688:225003,COc1cc(N2CCCCC2)ccc1-c1ccc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1F,XXJJAVOSTCCDIG-UHFFFAOYSA-N
-rxn:4:187693:224355,O=C(c1ccc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)cc1F)c1ccccc1CN1CCC2(CC1)OCCO2,BOVSJLXLBSAISG-UHFFFAOYSA-N
-rxn:4:187825:222602,COc1ccc2c(-c3cc(CC(C)C)sc3S(=O)(=O)NC(C)(C)C)cn(C(=O)OC(C)(C)C)c2c1,VZEUBUBJDMEPPP-UHFFFAOYSA-N
-rxn:4:187880:224485,COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,HQKYMKNWKTWEON-UHFFFAOYSA-N
-rxn:4:187893:225547,CCCCOc1cc(F)c(C)cc1-c1ccc(CN2C(=O)c3ccc(F)cc3C(C(=O)OC)C2=O)c(F)c1,AQMHHHJMLPEMEN-UHFFFAOYSA-N
-rxn:4:187951:223977,Cc1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(C(C)C)cc1-c1cc(C(F)(F)F)ccc1C(=O)OC(C)(C)C,PQRMAUGTKZQVQG-UHFFFAOYSA-N
-rxn:4:187969:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1,DMASDTJILCIOIZ-UHFFFAOYSA-N
-rxn:4:187969:224022,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cccc21,OMZUNCOUFLNCLJ-UHFFFAOYSA-N
-rxn:4:187970:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ccccc34)cc21,UYMNRFINVWMYQT-UHFFFAOYSA-N
-rxn:4:187984:225284,CC(C)Cc1cc(-c2[nH]c3cc(C(=O)OC(C)(C)C)ccc3c2C2CCCCC2)cnc1C(F)(F)F,JKZUJGNQVNZTEI-UHFFFAOYSA-N
-rxn:4:188013:224961,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)Oc3ccc(N4C(=O)C5C6CCC(C6)C5C4=O)cc3)cc2)cc1,QAZKLJJKNCJOOS-UHFFFAOYSA-N
-rxn:4:188098:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(OC(F)(F)F)c3C#N)cc2F)CC1,GWIOATRMJJCQIP-UHFFFAOYSA-N
-rxn:4:188443:223696,COc1cc(C(=O)C(F)(F)F)c(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cn1,LTJWDMRKTIKCEP-UHFFFAOYSA-N
-rxn:4:189302:223480,Cc1cc(-c2cccnc2C(=O)OC(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,RDYHFPTYKOBQKU-UHFFFAOYSA-N
-rxn:4:189332:223728,CCCCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3CN(C)C)c(F)c2)CC1,PWPVYRRJFCEQPY-UHFFFAOYSA-N
-rxn:4:189378:224835,CN(C)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)nn2S(=O)(=O)N(C)C)cc(C(F)(F)F)c1,WTXPXDCPUPMRRQ-UHFFFAOYSA-N
-rxn:4:189663:222542,Cc1ccc(-c2ccc(C(=O)N3CCC(CF)CC3)o2)cc1OCCCN1CCNCC1,JMUFZAGDKZCAQP-UHFFFAOYSA-N
-rxn:4:189730:224022,O=C(c1cc(C(F)(F)F)ccc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N1CCCC1,ZAZVVCZXHLXREG-UHFFFAOYSA-N
-rxn:4:189734:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3C(=O)N3CCCC3)c(F)c2)CC1,YIWXLICJNWABLJ-UHFFFAOYSA-N
-rxn:4:189734:224502,CN1CCCCC1COc1cccc(-c2cccc(C(F)(F)F)c2C(=O)N2CCCC2)c1,UHUABILYHHKSQD-UHFFFAOYSA-N
-rxn:4:189781:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(CCN2CCCC2)cc1F,HSYGPXFOCRVEPQ-UHFFFAOYSA-N
-rxn:4:189791:223638,COc1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1S(=N)(=O)C1CCC1,VKSCOQILKWSKFR-UHFFFAOYSA-N
-rxn:4:189844:222723,O=S(=O)(Nc1cccc(-c2cc(CCN3CCC(F)(F)C3)ccc2F)c1)N1CCOCC1,VVNMYXXQFTZBAK-UHFFFAOYSA-N
-rxn:4:189933:224080,COc1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1C(=O)N1CCSCC1,KMOXZHJSZGZPAN-UHFFFAOYSA-N
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-rxn:4:189995:223505,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1/C=N/S(=O)C(C)(C)C,FVKOIPFKRGVVGO-TURZUDJPSA-N
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-rxn:4:190058:225178,O=C(Cc1ccc(F)cc1-c1ccc(CN2CCOCC2)cc1F)N1CCC(F)(F)CC1,WJYCYEZASHBPIA-UHFFFAOYSA-N
-rxn:4:190077:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cccc(C(=O)N2CCCC(C(F)(F)F)C2)c1F,CYLLJYULQWRIML-UHFFFAOYSA-N
-rxn:4:190120:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCCC1,RNFAAOZDBYBOTR-UHFFFAOYSA-N
-rxn:4:190170:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(C(F)(F)F)cc1CN1CCC(F)(F)CC1,SMQFZTMHJKRSKR-UHFFFAOYSA-N
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-rxn:4:190314:223653,COc1cc2cc(-c3ccc(F)c(CCN4CCC(C)CC4)c3)n(C(=O)OC(C)(C)C)c2cc1Cl,JTZXWXKJULXCTR-UHFFFAOYSA-N
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-rxn:4:190354:223538,Cc1cc(-c2ccnc3c2cc(C(F)F)n3S(=O)(=O)c2ccccc2)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,SVMIKWDISPYLOB-UHFFFAOYSA-N
-rxn:4:190354:226719,CCOC(=O)c1cnc(Cl)c(-c2cc(C)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c1,MTFHXRMKDHBCPP-UHFFFAOYSA-N
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-rxn:4:190380:225294,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3OC)cn2)CC1,PIVFQMTYSZYPOZ-UHFFFAOYSA-N
-rxn:4:190389:224408,COC1CCN(S(=O)(=O)c2cc(C)cc(-c3cc(C(F)(F)F)nn3C(=O)OC(C)(C)C)c2)CC1,WWUDAAMXKYTUKQ-UHFFFAOYSA-N
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-rxn:4:190451:224158,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc2c(ccn2C(=O)OC(C)(C)C)c1,ZUMZQDGFHRHLKO-UHFFFAOYSA-N
-rxn:4:190469:223279,O=C1C(=Cc2ccc(-c3cccc(-c4cnc(C5CCCN5)nc4)c3)o2)SC(=S)N1C1CCS(=O)(=O)C1,PCQPKTNONLVYSY-UHFFFAOYSA-N
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-rxn:4:190493:222891,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)cc(C2CCNCC2)n1,DCOHIRCUXYGRDJ-UHFFFAOYSA-N
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-rxn:4:190897:224820,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1,XBHFGHXMKSGZPL-UHFFFAOYSA-N
-rxn:4:190905:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2F)N(C(=O)OC(C)(C)C)CCO3)cc1F,QMYDGBKWUXGLFQ-UHFFFAOYSA-N
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-rxn:4:190971:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc4cc(OC(=O)N5CCCCC5)ccc4c3)cc2C1,CYIODJVQGHMOHK-UHFFFAOYSA-N
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-rxn:4:191041:225607,CC(c1ccc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)s1)N1CCCCC1,AOSYCRHUBRGROI-UHFFFAOYSA-N
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-rxn:4:191057:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC32CC2)cc1,LPKYIQWCJCQUAP-IBGZPJMESA-N
-rxn:4:191062:222423,COc1c(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VNXJYMKQTLQPAB-UHFFFAOYSA-N
-rxn:4:191062:227404,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cc(N2CCCCC2)cs1,AKONATKEGVINPT-UHFFFAOYSA-N
-rxn:4:191062:227656,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cc(N2CCOCC2)cs1,LWJWGIBWDMPHGC-UHFFFAOYSA-N
-rxn:4:191062:228211,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1cc(N2CCCC2)cs1,JJYNEOKMULWXAT-UHFFFAOYSA-N
-rxn:4:191074:222906,COc1cc(-c2cnccc2NC(=O)OC(C)(C)C)cc2cc(C(=O)N3CCCCC3C)c(=O)oc12,AMIOJRBTRGFMPT-UHFFFAOYSA-N
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-rxn:4:191087:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C,JMAOYXRDPNBKJE-UHFFFAOYSA-N
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-rxn:4:191087:225535,CCN(CC)Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)ccc1Cl,YIUKSBOXLSBFPU-UHFFFAOYSA-N
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-rxn:4:191097:222932,COCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,CWRFGSXICPINAA-UHFFFAOYSA-N
-rxn:4:191097:223182,CCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,UPOGQSPEHHSSDT-UHFFFAOYSA-N
-rxn:4:191109:222635,COc1ccc(-c2cccc([C@H](C)NC(=O)OC(C)(C)C)c2)c(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1,ZHZSJRVMGSWDIK-KEDGCLKXSA-N
-rxn:4:191124:227070,CCOc1cc(C)c(C)cc1-c1ccc2c(c1)C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,GQRUHQAFFXNWBS-UHFFFAOYSA-N
-rxn:4:191195:224075,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1ccc3ccn([Si](C)(C)C(C)(C)C)c3c1)c1c2CCC1,HQSFBSODHCLRPE-UHFFFAOYSA-N
-rxn:4:191195:227815,CCC(C)c1ccccc1-c1cc2c(c3c1CCC3)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C2C,VKRMYANGQZEWEC-UHFFFAOYSA-N
-rxn:4:191711:223480,COc1ccc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1[N+](=O)[O-],BEDOUUHYMMFSAK-UHFFFAOYSA-N
-rxn:4:191718:223492,CSc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1[N+](=O)[O-],NXTCEEGHRNYOED-UHFFFAOYSA-N
-rxn:4:192230:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C4CC4)c(C(F)(F)F)n3)cc2)CC1,ZJSBCCYIANXMTE-UHFFFAOYSA-N
-rxn:4:192267:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(-c4cnc(C(F)(F)F)s4)cc3)c2)CC1,SUEUFQPSPROLGZ-UHFFFAOYSA-N
-rxn:4:192621:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(CN4C(=O)C=CC4=O)cc3)cc2Cl)CC1,MCRKAVZNTJTSCQ-UHFFFAOYSA-N
-rxn:4:192761:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2F)cc1S(=O)(=O)NC1CCCCC1,YUSONSRQFQEJQX-UHFFFAOYSA-N
-rxn:4:193191:222514,COc1ccc(-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1S(=O)(=O)NC1CCCCC1,GWEORIXSYQJHCX-UHFFFAOYSA-N
-rxn:4:193259:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3ccc(F)cc3C(=O)N3CCSCC3)cc2C1,QGLHRGHQRXOWSL-UHFFFAOYSA-N
-rxn:4:193401:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCCCO4)nc3C(F)(F)F)cc2)CC1,PNTAEDDXNKLLQT-UHFFFAOYSA-N
-rxn:4:193561:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)NC1CCCCC1,UAKNFIVAKLVXGZ-UHFFFAOYSA-N
-rxn:4:193570:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccc(S(=O)(=O)N2CCCCC2)c1,GHZJUXPOMIRBME-UHFFFAOYSA-N
-rxn:4:193575:223970,Cc1ccc(-c2ccc(C3CCCN3S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCC(C)CC1,ISWWXILTOJRPQT-UHFFFAOYSA-N
-rxn:4:193603:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1F,CWWXZRHIISFGSB-UHFFFAOYSA-N
-rxn:4:193627:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCS(=O)(=O)CC3)c(F)c2)CC1,ZYBKBMXTSRGAJG-UHFFFAOYSA-N
-rxn:4:193628:223812,O=C(c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)o1)N1CCC2(CC1)CC2(F)F,AXYMQTMUTXAAKK-UHFFFAOYSA-N
-rxn:4:193637:222723,O=S(=O)(Nc1cccc(-c2cc(N3CCC(F)(F)CC3)ccc2C(F)(F)F)c1)N1CCOCC1,LSWSTIZBUVVOLU-UHFFFAOYSA-N
-rxn:4:193764:224376,Cc1cc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc(C(=O)N2CCCCC2)c1F,SHAJQSXKHJOCOE-UHFFFAOYSA-N
-rxn:4:193797:222465,CC1CCN(Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)CC1,UHKDNCOBKMNBRZ-UHFFFAOYSA-N
-rxn:4:193844:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(C)cc(S(=O)(=O)N2CCCCC2)c1,SDDFBKJTDAFERJ-UHFFFAOYSA-N
-rxn:4:193844:222514,COc1ccc(-c2cc(C)cc(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)NC1CCCCC1,FJMMAIDWILVFNB-UHFFFAOYSA-N
-rxn:4:193845:222522,COc1ccc(-c2ccc(C3CCN(S(C)(=O)=O)CC3)cc2)cc1S(=O)(=O)N1CCC(O)CC1,IICPFNVBJKQELC-UHFFFAOYSA-N
-rxn:4:193954:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C3(N4CCC(=O)CC4)CC3)cc2C)c1,GHONAPZFYNHQRY-UHFFFAOYSA-N
-rxn:4:194017:223504,COC(=O)c1nc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)ccc2s1,NEXRQTUJTTXWTF-UHFFFAOYSA-N
-rxn:4:194331:223985,COc1ccc(-c2ccc(C(=O)N3CC4CC3CS4)o2)cc1S(=O)(=O)N1CCCCC1,JPBMDHWQOPXZCG-UHFFFAOYSA-N
-rxn:4:194371:223681,CC(C)(C)OC(=O)n1c(-c2cccc3c2CCN(C(=O)C(F)(F)F)C3)cc2cc([N+](=O)[O-])ccc21,XBAKEZVMSADKPV-UHFFFAOYSA-N
-rxn:4:194418:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2ccc3c(c2)CCN3S(=O)(=O)C2CC2)cc1F,CYZMPBSYTKBPAK-UHFFFAOYSA-N
-rxn:4:194572:225186,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1ccc(F)c(CN2CCSCC2)c1,AZXNRTXTOXTXPQ-UHFFFAOYSA-N
-rxn:4:194710:222712,CC(C)(C)OC(=O)Nc1ccc(-c2ccc3c(c2)CCC3N2CCC(C(F)(F)F)CC2)c(F)c1F,UPCWOESAKULBDY-UHFFFAOYSA-N
-rxn:4:194714:223048,O=C(NC1CC1)c1cccc(-c2cccc3c2CCC3N2CCCC(C(F)(F)F)C2)c1F,AVTRGSZLNNZNRA-UHFFFAOYSA-N
-rxn:4:194714:223891,CC(C)(C)[Si](C)(C)n1ccc2c(-c3cccc4c3CCC4N3CCCC(C(F)(F)F)C3)c(F)ccc21,OGAQGGRJLITJLY-UHFFFAOYSA-N
-rxn:4:194750:222604,COc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)cc1S(=O)(=O)NC1CCCC1,JDDUTQLYSAAENZ-UHFFFAOYSA-N
-rxn:4:194798:224707,COC(=O)c1cc(Cl)cc2cc(-c3ccc(N4C(=O)C5C(c6ccc(C)cc6)OC6(C(=O)c7ccccc7C6=O)C5C4=O)cc3)cnc12,ZHWVWLFQQDVCJY-UHFFFAOYSA-N
-rxn:4:195684:223541,NS(=O)(=O)c1cc(F)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,JDQNJRGGRRKGGA-UHFFFAOYSA-N
-rxn:4:196134:223541,Cc1cc(S(N)(=O)=O)ccc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,AHSAXHJPYPUMGY-UHFFFAOYSA-N
-rxn:4:196135:223541,Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1S(N)(=O)=O,RXZBUWNLVWAVON-UHFFFAOYSA-N
-rxn:4:196137:223541,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1S(N)(=O)=O,QELWAUVQMMGBLN-UHFFFAOYSA-N
-rxn:4:196139:223541,Cc1cccc(S(N)(=O)=O)c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,UCOMYFVDGONJIA-UHFFFAOYSA-N
-rxn:4:196140:223541,Cc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc(S(N)(=O)=O)c1,VNYZWRWUGQJTCO-UHFFFAOYSA-N
-rxn:4:196142:223541,Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c(S(N)(=O)=O)c1,MSJGQEQDHJUREB-UHFFFAOYSA-N
-rxn:4:196143:223541,Cc1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)c1S(N)(=O)=O,JGWKHMKGHDIAJK-UHFFFAOYSA-N
-rxn:4:197003:222514,COc1ccc(-c2ccc(C3CCS(=O)(=O)CC3)nc2)cc1S(=O)(=O)NC1CCCCC1,YHLDBWKQMMVUIT-UHFFFAOYSA-N
-rxn:4:197903:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cccc(C=C3C(=O)C4CCN3CC4)c2)c(C(F)(F)F)c1,SXEFQKPXRMPFBQ-UHFFFAOYSA-N
-rxn:4:197943:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2ccc3c(c2)C(N2CCCCC2)CC3)cc1F,OXHHQZRQTBPDMC-UHFFFAOYSA-N
-rxn:4:197961:222844,CC(C)N1C(=O)C2(OCCCO2)c2cc(-c3cccc(NC(=O)C4CCCC4)c3)ccc21,RZIUKYVIXFNBQB-UHFFFAOYSA-N
-rxn:4:197986:224458,CC1CCN(C(C)c2ccc(-c3cccc4c3CCCC4N3CCCCC3C)cc2)CC1,OUBJTXPXXSEVBS-UHFFFAOYSA-N
-rxn:4:198614:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cncc4c3CCC4=O)cc2)CC1,TYMMMPKWUYFZQT-UHFFFAOYSA-N
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-rxn:4:204644:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1,JPLYGIMOHMFZFH-UHFFFAOYSA-N
-rxn:4:204683:224484,CC(C)N(C(=O)c1ccccc1-c1cnc2c(c1)N(C(=O)OC(C)(C)C)CC2(C)C)C(C)C,PTKYYEYPSUUKBG-UHFFFAOYSA-N
-rxn:4:204710:224847,CC(C)(C)c1ccc(C(C)(C)C)c(-c2cnn3c2OC[C@@H](O[Si](C)(C)C(C)(C)C)C3)c1,YLLPVWKGHWARBZ-IBGZPJMESA-N
-rxn:4:204744:223516,Cc1ccc(N(c2ccc(C)cc2)c2ccccc2-c2ccccc2C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)cc1,JDMMWJCSFHRKLU-UHFFFAOYSA-N
-rxn:4:204796:223109,CC(NC1CC1)c1ccc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)cc1,CPTYHLAGICNPNG-UHFFFAOYSA-N
-rxn:4:204809:225570,COC(=O)c1ccc(C2CC2)c(-c2cccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(F)cc43)c2)c1,RNEZNBFDEXSYDT-UHFFFAOYSA-N
-rxn:4:204860:224181,COc1ccc(-c2ccc(C(=O)OCc3ccccc3)nc2)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,BSNHCUNJBNSLQL-UHFFFAOYSA-N
-rxn:4:205128:223497,COC(=O)c1cc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)nnc1Cl,MITQCVHNMFKOQE-UHFFFAOYSA-N
-rxn:4:206151:223506,CCc1cc(C(C)C)nc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,DFFDSZLGYSHQNE-UHFFFAOYSA-N
-rxn:4:206333:223698,O=[N+]([O-])c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cc(N2CCCC2)c1,ZUPJXEXGCGRSJT-UHFFFAOYSA-N
-rxn:4:206404:222514,COc1ccc(-c2cncc(S(=O)(=O)N3CCCC3)c2)cc1S(=O)(=O)NC1CCCCC1,AKHJBWBIPGWGRQ-UHFFFAOYSA-N
-rxn:4:206436:222584,O=C(c1cnc(Cl)c(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCOCC1,BISHXMGREFBRNS-UHFFFAOYSA-N
-rxn:4:206522:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCSCC2)nc1,ZRHFPNCCYNFYJZ-UHFFFAOYSA-N
-rxn:4:206522:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)nc2)cc1S(=O)(=O)NC1CCCCC1,MZBWTCOLBMNWTF-UHFFFAOYSA-N
-rxn:4:206706:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)N2CCOC(C)C2)c1,KLONTUOSYHQRLD-UHFFFAOYSA-N
-rxn:4:206709:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCCCC2)nc1,JLLKSDLOUREHEC-UHFFFAOYSA-N
-rxn:4:206738:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3C(F)(F)F)cc2)CC1,YOSCDQKSJBMUBR-UHFFFAOYSA-N
-rxn:4:206821:222514,COc1ccc(-c2ccc(N3C(=O)C(=Cc4ccncc4)SC3=S)cc2)cc1S(=O)(=O)NC1CCCCC1,ZILBSYOITNQKIX-UHFFFAOYSA-N
-rxn:4:206876:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(-c4csc(N5CCOCC5)n4)cc3)c(F)cn2)CC1,HDLXHICOMNPNEE-UHFFFAOYSA-N
-rxn:4:206944:224018,CC1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)nc2)CC1,FXOWZQWTMUXREW-UHFFFAOYSA-N
-rxn:4:206962:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(C4CCCN(S(C)(=O)=O)C4)nc3)cc2)CC1,SJUCHFPAKNOBDS-UHFFFAOYSA-N
-rxn:4:206964:223997,Cc1cc(-c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,WJTQYRIBECVDKB-UHFFFAOYSA-N
-rxn:4:207736:224009,COc1ccc(-c2ccc(OC3CC4CCC(C3)N4C)nc2)cc1S(=O)(=O)N1CCOCC1,AKCSNNBAXCXUNU-UHFFFAOYSA-N
-rxn:4:207789:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1ccc2c(c1)C(=C1SC(=S)N(Cc3ccco3)C1=O)C(=O)N2C,OCXQHNIVGACZTO-UHFFFAOYSA-N
-rxn:4:207795:224396,Cc1cc(-c2cncc(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1S(=O)(=O)N1CCOCC1,IGTJIIFLZGRDOA-UHFFFAOYSA-N
-rxn:4:207848:224633,COc1ccc(CN2CCOCC2)cc1-c1cccc(N2C(=O)N(c3cccc(C)c3)C3CS(=O)(=O)CC32)c1,IKKXJOIADWWXCO-UHFFFAOYSA-N
-rxn:4:207854:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,HVQMCDQQOXMXEL-UHFFFAOYSA-N
-rxn:4:208232:223493,CSc1ncc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c(Cl)n1,BFJFZVRDNFZJKY-UHFFFAOYSA-N
-rxn:4:209239:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cncc(C4=NCCC4)c3)c2)CC1,JKFUEZKJYINDBQ-UHFFFAOYSA-N
-rxn:4:209249:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cnc(C4CCOC4)nc3)c2)CC1,XOYGKUZMYWJDFA-UHFFFAOYSA-N
-rxn:4:210088:223492,Cc1cc(-c2cccn3cc(C(F)(F)F)nc23)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GBOCDYRNIPUBQR-UHFFFAOYSA-N
-rxn:4:210681:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(C3=CSC4=NCCN34)cc2)CC1,QFESLXDXUNKRJO-UHFFFAOYSA-N
-rxn:4:211042:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cccc3c2CN(C2CCC(=O)N(C)C2=O)C3=O)c1,HBDHHXGJIXAVHJ-UHFFFAOYSA-N
-rxn:4:211058:224178,CN1CCN(CCOc2cccc(-c3ccc4ccc(N5CCC6(CC5)OCCO6)nc4c3)c2)CC1,FQKKBYRORJRVPK-UHFFFAOYSA-N
-rxn:4:211089:224609,CC(C)N(C(=O)c1ccncc1-c1ccc2c(c1)N1CCCCCC1=C(C#N)S2(=O)=O)C(C)C,ZXIMAYZBDWIDBZ-UHFFFAOYSA-N
-rxn:4:211099:224849,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCC5)cc(C5CC5)c4)ccc2OC32CCCC2)cc1,IQTVBSQSPQEFJC-UHFFFAOYSA-N
-rxn:4:212532:225361,O=C(c1cccc(OC(F)(F)F)c1)N1CC(Cn2cc(-c3cn(C4CCCC4)nc3C(F)(F)F)cn2)C1,QSKDOMKPUMTTCE-UHFFFAOYSA-N
-rxn:4:212580:225352,CC(=O)Oc1ccc(-c2cnn(CC3CN(S(=O)(=O)Cc4ccc(C(F)(F)F)cc4)C3)c2)cc1C(F)(F)F,CCYMUENFCCYAKB-UHFFFAOYSA-N
-rxn:4:212584:224592,CC(C)N(Cc1nn(C)cc1-c1cc(C2(C#N)CCCCC2)ccc1F)C(=O)OC(C)(C)C,WMGWVMDCMOXCGB-UHFFFAOYSA-N
-rxn:4:212585:224075,CC(C)N(Cc1c(-c2ccc3ccn([Si](C)(C)C(C)(C)C)c3c2)cnn1C)C(=O)OC(C)(C)C,QYZHQSARYCPKHH-UHFFFAOYSA-N
-rxn:4:212586:223580,COC(=O)c1ccc2c(c1)cc(-c1cnn(CC3CN(C(=O)c4cccc(OC)c4OC)C3)c1)n2C(=O)OC(C)(C)C,VVEORVPOOXRVPS-UHFFFAOYSA-N
-rxn:4:212593:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)c1,XNWKQBPPJKBKJR-UHFFFAOYSA-N
-rxn:4:212601:222389,Cn1ccnc1S(=O)(=O)C1CN(C(=O)CCc2ccccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)C1,XMAJPMKCNISZPK-UHFFFAOYSA-N
-rxn:4:212623:225992,CC(C)Cn1cc(-c2cc(F)ccc2CC(=O)N2CCCC(COc3ncccn3)C2)c(C(F)(F)F)n1,UCZLCDPZWWAIID-UHFFFAOYSA-N
-rxn:4:212649:224198,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)CC)C4)nc3)c(F)c2)CC1,ZLPVPGAGAQPWBT-UHFFFAOYSA-N
-rxn:4:212650:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C(=O)CC(C)(C)C)C3)nc2)c1,RNUZJTKGYWXUHJ-UHFFFAOYSA-N
-rxn:4:212660:222796,COc1cccc(CN2CCC(COc3ncc(-c4cc(S(=O)(=O)NC(C)(C)C)ccc4C)cn3)CC2)c1,BWZGAKFAEOPPBR-UHFFFAOYSA-N
-rxn:4:212716:223846,Cc1cc(-c2ccc(-c3cnc(SCC(=O)N4CCCCC4)n3-c3ccc(Cl)cc3)cc2)cc(C2CC3CCC2(C)C3(C)C)c1,ZHEYALSXIRVGPJ-UHFFFAOYSA-N
-rxn:4:212739:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCCC3)c2)c1,RPYAEPUENAZUEC-UHFFFAOYSA-N
-rxn:4:212747:223279,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cnc(C3CCCN3)nc2)cc1N1CCOCC1,XDIHNAIWXNZVAR-UHFFFAOYSA-N
-rxn:4:212751:223914,COc1ccc(Cl)cc1COc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1,BQYIDJHQNZGHKR-UHFFFAOYSA-N
-rxn:4:212763:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)N(Cc3ccccn3)c3nc4c(C(F)(F)F)cccc4s3)o2)c(F)c(C(F)(F)F)c1,PACZXOQIRWLGJO-UHFFFAOYSA-N
-rxn:4:212776:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(C(=O)N(CCN(C)C)c3nc4c(F)cc(F)cc4s3)cc2)cc1,ZSCHBLSHIDPEQK-UHFFFAOYSA-N
-rxn:4:212799:223823,CN(C)CCN(C(=O)C1CCCCC1)c1nc2ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2s1,ZKUAJRVWRGQZRP-UHFFFAOYSA-N
-rxn:4:212809:223591,Cn1c(=NC(=O)CSCC(=O)N2CCCc3ccccc32)sc2cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)ccc21,UWOZHTUCFFPTCI-UHFFFAOYSA-N
-rxn:4:212814:226090,CCN(CC)Cc1cccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)c1,DIKRUGVZAXPVSZ-UHFFFAOYSA-N
-rxn:4:212849:225570,COC(=O)c1ccc(C2CC2)c(-c2ccccc2C(=O)N(Cc2ccccc2)c2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1,QUJYFCDGOSTQGD-UHFFFAOYSA-N
-rxn:4:212966:224774,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3ccc(N4CCCC4)c(C(F)(F)F)c3)cn2)C1,KZUPCEBREYYNGU-UHFFFAOYSA-N
-rxn:4:212973:225583,O=C(CN1CCOC1=O)N1CCC(Oc2ncccc2-c2cccc(C(=O)N3CCCC3)c2)C1,GCSWKNBSMNHOHM-UHFFFAOYSA-N
-rxn:4:212992:223075,O=S(=O)(Nc1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)cc1)C1CC1,AEHWWUOBAKRIGH-UHFFFAOYSA-N
-rxn:4:212998:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(OC)cc3C(=O)N3CCC(Oc4nncs4)CC3)c3ccccc23)CC1,KUOSHCAJHFCJLK-UHFFFAOYSA-N
-rxn:4:213011:225830,Cc1nc(N2CCCCC2)ncc1-c1cnc(OCC2CCCN(C(=O)C(C)C)C2)nc1,ORVHEMXULZFZKK-UHFFFAOYSA-N
-rxn:4:213045:225672,O=C(C1CCC1)N1CCCC(COc2ncc(-c3cc(F)nc(C4CCCCC4)c3)cn2)C1,GCMMIUAINWBAAO-UHFFFAOYSA-N
-rxn:4:213053:223897,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)cc1OCCCN1CCOCC1,PCRNHUSOSXCVBG-UHFFFAOYSA-N
-rxn:4:213053:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)c1,QIVJUJBVVCLLPD-UHFFFAOYSA-N
-rxn:4:213080:225217,CC1CCCN(c2cc(F)c(-c3cncc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,FRWDEGWPCWQWRF-UHFFFAOYSA-N
-rxn:4:213111:223529,COc1cccc(C(=O)N2CCC(Oc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)CC2)c1,SIABAMPOFFVDOU-UHFFFAOYSA-N
-rxn:4:213115:225294,CCN1CCN(c2ncc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)nc3)cn2)CC1,KYMYABKTPIPOQZ-UHFFFAOYSA-N
-rxn:4:213116:224586,CC1CCN(Cc2ccc(F)cc2-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)CC1,VUKGMTSNSZCUHW-UHFFFAOYSA-N
-rxn:4:213125:225977,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc(Cl)cnc3N3CCOCC3)n2)CC1,ONCOGYIHJIJUQG-UHFFFAOYSA-N
-rxn:4:213135:224718,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,JFSBTVPJDCSLJJ-UHFFFAOYSA-N
-rxn:4:213142:228347,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCC4)nc3)c2[N+](=O)[O-])CC1,WSKWQMFWDNIGDM-UHFFFAOYSA-N
-rxn:4:213151:222673,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(=O)NC4CCCCC4)ccc3Cl)cc(F)c2[N+](=O)[O-])CC1,YDCMQEKTZXJQJA-UHFFFAOYSA-N
-rxn:4:213192:227212,CCCCOc1ncccc1-c1cc(C(=O)OC(C)(C)C)cc(N2CCN(C(C)=O)CC2)n1,PLPQSNVEGAFEFR-UHFFFAOYSA-N
-rxn:4:213192:228676,CCCCn1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cn1,FEOJIQFQOUGYNR-UHFFFAOYSA-N
-rxn:4:213196:226231,CCCCOc1ncc(-c2cnc(OCC3CCCN(C(=O)C4CCOCC4)C3)nc2)cc1C,ATCVFVFOZULTGT-UHFFFAOYSA-N
-rxn:4:213199:222833,COc1ccc(-c2cccc(NC(=O)CCC(C)C)c2)c(C(=O)N2CCC(Oc3nc(C)cc(C)n3)C2)c1,KHVYATMACOATNA-UHFFFAOYSA-N
-rxn:4:213203:222628,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)CC2)nn1,NWCSBLBQAFBWLA-UHFFFAOYSA-N
-rxn:4:213243:222537,O=C(CN1CCN(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)CC1)N1CCOCC1,POCDPCGFPDXJKE-UHFFFAOYSA-N
-rxn:4:213243:222965,CCCC(=O)NCc1ccc(-c2ccc(CN3CCN(CC(=O)N4CCOCC4)CC3)cc2)cc1,TZDDXXGQCMLDPW-UHFFFAOYSA-N
-rxn:4:213243:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(CN4CCN(CC(=O)N5CCOCC5)CC4)cc3)c2)CC1,SMCKWHRMRIDUQW-UHFFFAOYSA-N
-rxn:4:213247:225375,O=C(N1CC(Cn2cc(-c3ccc(OC(F)(F)C(F)(F)F)cc3)cn2)C1)C1(c2ccccc2)CCOCC1,TXUFJOMKJJZOAK-UHFFFAOYSA-N
-rxn:4:213264:223048,O=C(NC1CC1)c1cccc(-c2ccc(CC(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)cc2)c1F,CEWRERJHIMSJLD-UHFFFAOYSA-N
-rxn:4:213265:222706,O=C(c1ccc(-c2cc(C3CCNCC3)ccc2C(F)(F)F)o1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1,SUKKMULOJCIKEE-UHFFFAOYSA-N
-rxn:4:213265:223640,CCOC12C(=O)c3cc(F)cc(-c4ccc(C(=O)N5CCC(N6CCC(Oc7nccs7)CC6)CC5)o4)c3C(=O)C1C2(C)C,DUWHGNLQKCOQFS-UHFFFAOYSA-N
-rxn:4:213290:223683,CC(C)(C)OC(=O)N1CCC(Oc2ncc(-c3cnc(OC4CCCN(C(=O)C5(c6ccccc6)CCOCC5)C4)nc3)cn2)C1,RJLKOMAKDFEQBP-UHFFFAOYSA-N
-rxn:4:213290:225631,CN1CCN(c2ccc(-c3cnc(OC4CCCN(C(=O)C5(c6ccccc6)CCOCC5)C4)nc3)cc2)CC1,KCAMAUPBJGLNPH-UHFFFAOYSA-N
-rxn:4:213301:223576,C#CCn1c(=NC(=O)c2ccc([N+](=O)[O-])o2)sc2cc(-c3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc21,SXFCUDOWHHDGAZ-UHFFFAOYSA-N
-rxn:4:213328:222684,CCCn1c(=NC(=O)c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)s2)sc2cc(S(N)(=O)=O)ccc21,JNSFMHBCSQQEGZ-UHFFFAOYSA-N
-rxn:4:213360:222971,C#CCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(-c3ccc(NC(=O)C(C)(C)C)cc3)ccc21,ZUPDCVISWRICQJ-UHFFFAOYSA-N
-rxn:4:213384:224393,COc1ccc2cc(C(=O)N3CCC(Oc4ncccc4-c4cc(C(F)(F)F)ccc4N4CCOCC4)CC3)[nH]c2c1,FDCDFCGIURUTER-UHFFFAOYSA-N
-rxn:4:213394:223507,COc1cccc(C(=O)N2CCN(c3nc4ccc(-c5ccccc5S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)CC2)c1OC,GWTUVHLSYPUGFK-UHFFFAOYSA-N
-rxn:4:213397:222697,O=C(c1cc(-c2ccc(-n3c(SCC(=O)N4CCc5ccccc54)nc4c(c3=O)SCC4)cc2)ccc1Cl)N1CCC(O)CC1,TWUCEXNWMOBJNW-UHFFFAOYSA-N
-rxn:4:213440:226252,CCCCOc1cc(Cl)ccc1-c1ccc2ccn(CC(=O)N3CCN(C(=O)C4COc5ccccc5O4)CC3)c2c1,AOWVBUMIQNCSJR-UHFFFAOYSA-N
-rxn:4:213460:223978,CN(C)CCCN1C(=O)c2oc3ccc(-c4ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c4)cc3c(=O)c2C1c1ccncc1,HQWGJENQBYROGU-UHFFFAOYSA-N
-rxn:4:213480:222719,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LHPPHQQZYQLERY-BSHRZXKDSA-N
-rxn:4:213480:224684,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCC(=O)CC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,VEXUPIQMLSWHND-NXEFQXHYSA-N
-rxn:4:213480:225632,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(N5CCN(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,URIVXBYQGBIVEU-IYYFJEEQSA-N
-rxn:4:213480:226585,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C(=O)N(C)C)ccc4Cl)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,XRIJQEHRKRHKBG-FGWXRDQWSA-N
-rxn:4:213480:226981,CCCCCCc1ccsc1-c1cncc(C(=O)OC[C@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(c45)[C@@]3(OC)C2)c1,QSEICILGCZWLMG-JUAZSWLZSA-N
-rxn:4:213513:223594,CN(C)CCOc1ncc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,AWLBCIKZPMEAGG-UHFFFAOYSA-N
-rxn:4:213529:223592,CN(C)CCCn1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)cn1,KBBJCJBDOROYMO-UHFFFAOYSA-N
-rxn:4:213628:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccn(C3CN(C(=O)OC(C)(C)C)C3)n2)cc1,MBQRKBIWTSBJRV-MRXNPFEDSA-N
-rxn:4:213680:222517,O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2cc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])cc2F)ccc1F,IWNSCDYAGOJTFU-UHFFFAOYSA-N
-rxn:4:213786:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ccccc2S(=O)(=O)N2CC(S(=O)(=O)c3nccn3C)C2)cc1,VZQVUAQBBNTKPW-UHFFFAOYSA-N
-rxn:4:213799:222634,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCNC4CCCC4)c(F)c3)ncn2)C1,VYJWXXQVURFMCZ-UHFFFAOYSA-N
-rxn:4:213802:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)N(C)C)CC1,ULCOXQWGDPARJA-UHFFFAOYSA-N
-rxn:4:213812:224326,Cc1ccc(OC2CCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)c(C)c4)o3)CC2)nn1,LFOONUVEMJYKMH-UHFFFAOYSA-N
-rxn:4:213839:222892,COc1cc(N2CCNCC2)ccc1-c1nccn1C1CCN(C(=O)OC(C)(C)C)CC1,UOTHZJIMZUEMFG-UHFFFAOYSA-N
-rxn:4:213839:223535,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3nccn3C3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1,AXRADAHLUYNIAL-UHFFFAOYSA-N
-rxn:4:213839:225160,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(Cl)c(C(=O)N3CCCC3)c2)CC1,BNUBMJLHRYJKAR-UHFFFAOYSA-N
-rxn:4:213891:223916,CC(C)N1CCN(C(=O)c2ccc(-c3cnc(C4CCCN(C(=O)OC(C)(C)C)C4)cn3)cc2)CC1,IHGFNYLUBWDHRR-UHFFFAOYSA-N
-rxn:4:213917:223815,N#Cc1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1N1CCN(Cc2ccccc2)CC1,KABIIAKJKAADJV-UHFFFAOYSA-N
-rxn:4:213927:222634,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)o3)CC2)nc(C)n1,CONUFQKPDNJZRJ-UHFFFAOYSA-N
-rxn:4:213972:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1,KQPZTUJZSREVEI-UHFFFAOYSA-N
-rxn:4:213974:224763,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cc(Cl)ccc3C(=O)N3CCOCC3)n2)CC1,KLBWRLFGWPXNTE-UHFFFAOYSA-N
-rxn:4:213983:223168,CC1CN(C(=O)OC(C)(C)C)CCC1c1cnc(-c2cccnc2N2CCNCC2)cn1,VSWBCLDAJAIPHR-UHFFFAOYSA-N
-rxn:4:213988:223046,CC(C)(C)OC(=O)N1CCCN(c2ccc(-c3ccc(F)c(C(=O)NC4CC4)c3)cn2)CC1,FSTKMVHYDFDUCN-UHFFFAOYSA-N
-rxn:4:213996:223836,COc1ncnc2c1cc(-c1cnccc1N1CCN(C(=O)OC(C)(C)C)CC1C)n2C(=O)OC(C)(C)C,XPILCLJODNNLOJ-UHFFFAOYSA-N
-rxn:4:214022:223597,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(Cl)c4)cn3)C2)cc1C,LTSWDIFWPSAIMH-UHFFFAOYSA-N
-rxn:4:214033:223310,CC(C)[C@H]1COC(c2cc(-c3ccc(NC4CC4)cc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,ALPBTSQEAYLZCN-DNQXCXABSA-N
-rxn:4:214063:222833,Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1ccc(-c2cccc(NC(=O)CCC(C)C)c2)cc1,DDMJZLFKLBEOGC-UHFFFAOYSA-N
-rxn:4:214078:224281,CCN1CCN(Cc2ccc(-c3cc4c(OC)cc(OC)cc4nc3OC)cc2N2CCCCC2)CC1,DFLXBUBTSGCCJY-UHFFFAOYSA-N
-rxn:4:214086:222702,CC(C)N1CCN(Cc2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2N2CCCCC2)CC1,RPUJGTBFBCWRJX-UHFFFAOYSA-N
-rxn:4:214090:223528,CCOC(=O)c1cn2cc([N+](=O)[O-])cc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2n1,OISBFQZEQLXIFX-UHFFFAOYSA-N
-rxn:4:214108:223822,CCOC(=O)c1nc2c([N+](=O)[O-])c(C)ccn2c1-c1cc(C(F)(F)F)ccc1C(=O)OCC(C)(C)C,ZIIKJLYMPWZMAU-UHFFFAOYSA-N
-rxn:4:214185:225359,COc1cc(-c2c(C(F)(F)F)nn3c2CN(C(=O)OC(C)(C)C)CCC3)c(C(F)(F)F)cc1OC,YMMRDKDICAVSNM-UHFFFAOYSA-N
-rxn:4:214254:224172,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3cccc(CN(C)C(=O)OC(C)(C)C)c3)cnc21,YIBCSJBNQQKHAL-UHFFFAOYSA-N
-rxn:4:214276:224197,CCN1CCN(Cc2ccc(-c3cnc4[nH]c(C5CCN(C(=O)OC(C)(C)C)CC5)cc4c3)cc2F)CC1,TZMYXDWEGSFMHD-UHFFFAOYSA-N
-rxn:4:214291:222740,CC(C)c1cc(-c2ccc3nc([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)[nH]c3c2)cc(C2CCCNC2)n1,DGBRBSPUFJHKOH-FAVZIVFCSA-N
-rxn:4:214390:223530,CCOc1ccc(C2=NN3C(C2)c2cc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)ccc2OC32CCN(C(C)=O)CC2)cc1,CRGQFBYQAYALJC-UHFFFAOYSA-N
-rxn:4:214410:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2nn(CC(F)F)cc2[N+](=O)[O-])CC1,SVYNYKBZKXBOIP-UHFFFAOYSA-N
-rxn:4:214630:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)c(F)c2s1,XRRDCPGLQDTPSL-UHFFFAOYSA-N
-rxn:4:214631:222585,CS(=O)(=O)N1CCC(Cc2cnc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)C1,OZDIAWZOTLGHTL-UHFFFAOYSA-N
-rxn:4:214660:222584,Cn1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1C(=O)N1CCC(C(F)(F)F)CC1,KEYDOPHJJAXTHK-UHFFFAOYSA-N
-rxn:4:214695:223812,CCN1CCN(Cc2ccc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)nc2)CC1,KWRSFCACCJLCAO-UHFFFAOYSA-N
-rxn:4:214706:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(CC4CCCN(S(C)(=O)=O)C4)cn3)cn2)CC1,KFFUQOSUZDORAQ-UHFFFAOYSA-N
-rxn:4:214713:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cnccc3N3CCN(C(=O)C4CC4)CC3)cc2)CC1,DUBDJKZASPIUMA-UHFFFAOYSA-N
-rxn:4:214718:224970,CCN1CCN(S(=O)(=O)c2cnc(Cl)c(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)c2)CC1,IVHLCPWQUFKXCJ-UHFFFAOYSA-N
-rxn:4:214743:223521,CC(c1cccc(-c2cccc(N3CCC(N(C)C)CC3)c2C#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1,VEWQNGOFDCWQEK-UHFFFAOYSA-N
-rxn:4:214744:224672,CCN1CCN(c2ccc(-c3ccc(N4CCC(N(C)C)CC4)cc3C#N)c(Cl)c2)CC1,BQUXYWWHYCTAIF-UHFFFAOYSA-N
-rxn:4:214755:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(C(=O)N3CCC(c4cncn4C)CC3)o2)CC1,XFXLOUCKOFDATJ-UHFFFAOYSA-N
-rxn:4:214765:224065,CC1CCN(c2cc(-c3cccc(N4CCC(N(C)C)CC4)c3[N+](=O)[O-])cc(C3CC3)c2)CC1,IQELRHPSSSAQAV-UHFFFAOYSA-N
-rxn:4:214819:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)CC1,GCHPGQPUSZEHQL-UHFFFAOYSA-N
-rxn:4:214835:226474,CN(C)CCOc1cncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,AJQWRHGFSGXLBD-UHFFFAOYSA-N
-rxn:4:214836:226998,CC(C)COc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1,ODBSFWXNACVKSY-UHFFFAOYSA-N
-rxn:4:214839:224158,CC(C)(C)OC(=O)n1ccc2cc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)ccc21,NHSXOZMTUGSECM-UHFFFAOYSA-N
-rxn:4:214859:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC(c5ccn(C)n5)C4)cc3)c3ccccc23)CC1,JPSGBMFKLIKMNE-UHFFFAOYSA-N
-rxn:4:214866:222619,O=C(NCc1ccc(-c2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cc1)C1CCCCC1,AYKADNFULAFTQB-UHFFFAOYSA-N
-rxn:4:214870:226249,CCCCOc1cc(Cl)cc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,DQTFMRRZWXNIQS-UHFFFAOYSA-N
-rxn:4:214871:226981,CCCCCCc1ccsc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,MFCXKOSIHFRLGZ-UHFFFAOYSA-N
-rxn:4:214888:224589,CC1CCN(Cc2cc(F)ccc2-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)CC1,KEQALDRTIBSQOG-UHFFFAOYSA-N
-rxn:4:215054:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ncn2c1CCN(C(=O)OC(C)(C)C)C2=O,JXPFWNQPDMJYLN-UHFFFAOYSA-N
-rxn:4:215101:223480,Cc1cc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,KHJUEKCVFSVDIH-UHFFFAOYSA-N
-rxn:4:215148:225113,CC(C)(C)OOC(=O)c1cccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)c1,QKZDYIYHHYBDJS-UHFFFAOYSA-N
-rxn:4:215153:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(CN3CCC4CN(c5ccccn5)CC43)o2)CC1,MPBGOMZGWZITEJ-UHFFFAOYSA-N
-rxn:4:215170:225539,CCN(CC)Cc1c(F)cccc1-c1cncc(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,HGFIXGRLVJGGJY-UHFFFAOYSA-N
-rxn:4:215215:225528,CCN(CC)C(=O)c1ccccc1-c1ccc2ccc(N3CCOC(C(=O)N4CCCC4)C3)nc2c1,BIEGDGJNINPYFA-UHFFFAOYSA-N
-rxn:4:215309:223048,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3cccc(C(=O)NC4CC4)c3F)cccc1-2,HPLHPADIMJEWHQ-NRFANRHFSA-N
-rxn:4:215309:224819,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cccc1-2,XJFZIDDBLXGORV-QHCPKHFHSA-N
-rxn:4:215685:222584,O=[N+]([O-])c1c(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnn1C1CCCCO1,FPDXVKZACPWQNH-UHFFFAOYSA-N
-rxn:4:215740:224330,Cn1ncc(-c2ccc(Cl)c(C(=O)N3CCC(=O)CC3)c2)c1C(=O)N1CCC(F)(F)C1,PVXBWTJVBWQHQI-UHFFFAOYSA-N
-rxn:4:215772:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cncc(N4CCC(C#N)CC4)c3)c2)CC1,BJULBVBUOBBREM-UHFFFAOYSA-N
-rxn:4:215893:224244,CC1CCN(C(=O)c2cc(-c3cccc(N4CCN(C)CC4)c3[N+](=O)[O-])ccc2Cl)CC1,KWJSOBOFISCAHA-UHFFFAOYSA-N
-rxn:4:215934:222439,CC1CCN(Cc2nn(C)cc2-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)CC1,ZKMFNZLDYHAQCI-UHFFFAOYSA-N
-rxn:4:215935:222430,Cc1nn(S(=O)(=O)N2CCCCC2)c(C)c1-c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1,XVGLVMAXNKPNDT-UHFFFAOYSA-N
-rxn:4:215941:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2)CC1,KVJWFAKBAGCGCT-UHFFFAOYSA-N
-rxn:4:215945:222584,CN(C)C1CCN(c2ccnc(-c3ccc(OCCCN4CCNCC4)c(F)c3)c2)CC1,JAOHFKJUISGQGB-UHFFFAOYSA-N
-rxn:4:215945:223787,CN1CCN(CCCOc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2F)CC1,JRTLNRIAKADODA-UHFFFAOYSA-N
-rxn:4:215945:223993,Cc1cc(-c2cc(N3CCC(N(C)C)CC3)ccn2)ccc1S(=O)(=O)N1CCN(C)CC1,NXEANRYMNXYXNQ-UHFFFAOYSA-N
-rxn:4:216213:223687,CC(=O)N1CCC[C@H]1c1nc2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2[nH]1,SIKNUFDWYNMIDD-QFIPXVFZSA-N
-rxn:4:216252:225772,COc1c(Cl)cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)cc1OC(C)C,UJACGTHGOUMFOS-UHFFFAOYSA-N
-rxn:4:216342:222465,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)ccc2OC3c2cccnc2)cc1,VODCYVWTGLJSOQ-UHFFFAOYSA-N
-rxn:4:217131:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(F)CC4)nc3)cc2[N+](=O)[O-])CC1,INOJRMVNXDHFKE-UHFFFAOYSA-N
-rxn:4:217691:223480,Cc1cc(-c2cnc(N3CC4CC3CO4)nc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,IRYRNYNXNOWAMK-UHFFFAOYSA-N
-rxn:4:217792:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cc2F)CC1,GBYHJPWWLFTKSE-UHFFFAOYSA-N
-rxn:4:217792:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)ccn2)CC1,WNPDIGVLGJRBAV-UHFFFAOYSA-N
-rxn:4:218583:222771,N#Cc1ccc(CN2CCC(COc3ncc(-c4ccc(F)c(C(=O)NC5CCCC5)c4)cn3)CC2)cc1,UHBASGGBACMDFG-UHFFFAOYSA-N
-rxn:4:218656:223123,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(NC(=O)C(C)C)cc3)cn2)C1,YEOTVBPOHRATGS-UHFFFAOYSA-N
-rxn:4:218664:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccc(N(C)C)cc5)C4)nc3)c3ccccc23)CC1,RIGZAYRDSXGVJZ-UHFFFAOYSA-N
-rxn:4:218665:225992,CC(C)Cn1cc(-c2cnc(OCC3CCCN(C(=O)c4cccc(N(C)C)c4)C3)nc2)c(C(F)(F)F)n1,RUCORJYPGNLTOE-UHFFFAOYSA-N
-rxn:4:218668:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cccnc2OC2CCN(C(=O)CN3CCN(c4ccccc4)C3=O)C2)cc1,UNRXPCHIJSGCER-UHFFFAOYSA-N
-rxn:4:218684:227596,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4cnc(N5CCCC5)nc4)c3)ccc2C#N)CC1,JDMXHUIXJUSEII-UHFFFAOYSA-N
-rxn:4:218772:224076,CC(C)(C)[Si](C)(C)n1ccc2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCOCC5)CC4)c3)ccc21,IAGJWFYXJYADEK-UHFFFAOYSA-N
-rxn:4:218867:223185,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CNCCO4)nc3)c2)no1,GYWMSMCQTWKLMC-UHFFFAOYSA-N
-rxn:4:218868:225849,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2)no1,CQGHYZMQBAEBNA-UHFFFAOYSA-N
-rxn:4:218868:225976,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(N4CCOCC4)c3F)cc2)no1,DEKBHCPCAPTXPS-UHFFFAOYSA-N
-rxn:4:218884:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCCC(COc5ncccn5)C4)c3)c2)CC1,GDLGRTLBLXTUPK-UHFFFAOYSA-N
-rxn:4:218889:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)on5)C4)nc3)c(F)c2)CC1,ITUPLNQMCSLWFB-ANRZFKABSA-N
-rxn:4:218895:222584,CCc1ncnc(OC2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)C2)c1F,PXFNXFFPBKYARR-UHFFFAOYSA-N
-rxn:4:218903:225979,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2C#N)CC1,FBIJDRLQIOWHSO-UHFFFAOYSA-N
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-rxn:4:218919:224584,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3cccc(C(=O)N4CCC(C)CC4)c3)C2)cn1,DAVOYYIFPJHLGW-UHFFFAOYSA-N
-rxn:4:218922:225218,CC1CCCN(c2ncc(-c3cnc(OCC4CCN(c5ncccc5C(F)(F)F)CC4)nc3)cc2Cl)C1,RZIWUFAJCPESFT-UHFFFAOYSA-N
-rxn:4:218944:228210,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(N4CCCC4)s3)cc2[N+](=O)[O-])CC1,LEGJWFBTFBUOLY-UHFFFAOYSA-N
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-rxn:4:218991:225106,CCN(CC)C(=O)c1ccc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl,JTPOGFYUBZDSTA-UHFFFAOYSA-N
-rxn:4:218991:225156,Cn1cc(-c2cc(C(=O)N3CCCC3)ccc2F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,KULVOHCZPQLBSD-UHFFFAOYSA-N
-rxn:4:218998:222524,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cn2)C1,LDTKTZIQTQDXCK-UHFFFAOYSA-N
-rxn:4:218998:223844,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cn2)C1,VTVHCFOTJNAKHN-UHFFFAOYSA-N
-rxn:4:219013:223184,CC1CN(c2c(-c3cnc(N4CCNCC4)nc3)cncc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,MBTXFUQGHXGDRQ-UHFFFAOYSA-N
-rxn:4:219028:225128,COC(=O)C1(c2ccc(F)c(-c3c(C(=O)N4CCN(C(=O)OC(C)(C)C)C(C)C4)cnn3C)c2)CC1,XEGBPLCLKWNBJR-UHFFFAOYSA-N
-rxn:4:219046:226088,CCN(CC)Cc1ccc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cc1,RBYADEMHGLTTOB-UHFFFAOYSA-N
-rxn:4:219052:222699,Cc1cnc(N(C)C2CCCN(C(=O)Cc3ccccc3-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)C2)nc1,GSXYWDAJEZHVKJ-UHFFFAOYSA-N
-rxn:4:219066:224246,CC1CCN(C(=O)c2ccc(-c3cnc(OC4CCN(C(=O)C5CC(=O)N(c6ccccc6)C5)CC4)nc3)cc2F)CC1,ICPHXGDMZVTZGN-UHFFFAOYSA-N
-rxn:4:219093:222916,CCC(=O)C1=C(c2ccc(-c3cccc(C(=O)NC4=NCCS4)c3)cc2)N(C(=O)CC)n2cnnc2S1,GPOAYKKPYFVBNY-UHFFFAOYSA-N
-rxn:4:219120:225607,CC(c1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)s1)N1CCCCC1,GJAMYAPHZBCLHK-UHFFFAOYSA-N
-rxn:4:219155:225875,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4ccc(N5CCOCC5)cc4Cl)c2)C3)nc1,REKUTQUUWRPGLN-UHFFFAOYSA-N
-rxn:4:219157:222521,COc1ccc(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)c(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c1,GVWSTESNNJNWHO-UHFFFAOYSA-N
-rxn:4:219174:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2CCC(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,WJSZHVKSJNJRDN-UHFFFAOYSA-N
-rxn:4:219187:223881,Cc1ccc2cc(-c3ccc(-c4csc(N5CCN(CCN6C(=O)c7ccccc7C6=O)CC5)n4)cc3)n(C(=O)OC(C)(C)C)c2c1,ZGNOMIJFTDUUCS-UHFFFAOYSA-N
-rxn:4:219253:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccccc2C(=O)N2CC(Cn3ccnn3)C2)CC1,NJVKHKCLEOJHPW-UHFFFAOYSA-N
-rxn:4:219273:223894,CN1CCN(CCCOc2cccc(-c3cnn(CC4CN(c5ncccc5C(F)(F)F)C4)c3)c2)CC1,VRXHMLLLLOOAOD-UHFFFAOYSA-N
-rxn:4:219348:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(c4nccnc4OC)C3)c(F)cc2C)CC1,SIRZMJXFIKHJKY-UHFFFAOYSA-N
-rxn:4:219354:222693,CN(C1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,UGVPEHMFLBMCRG-UHFFFAOYSA-N
-rxn:4:219419:223575,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccccc4CN4CCN(C(=O)OC(C)(C)C)CC4)o3)CC2)cc(C(F)(F)F)n1,KILZQYOBAOJPHQ-UHFFFAOYSA-N
-rxn:4:219455:225215,CC1CCN(c2nccc(-c3n[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4C)n3)c2Cl)CC1,MWDOTIUNVYJCSB-UHFFFAOYSA-N
-rxn:4:219499:224491,CC(C)N(Cc1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C#N)c2)ccc1F)C(C)C,ANCAWTYCCDSLGH-UHFFFAOYSA-N
-rxn:4:219523:224659,CN1CCN(C(=O)c2cccc(-c3ccccc3C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c2)CC1,ULIFHGKUZFIBOU-UHFFFAOYSA-N
-rxn:4:219529:223159,CCNC(=O)c1ccc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2OC)cc1Cl,PGKOPUWSLFIQIG-UHFFFAOYSA-N
-rxn:4:219530:222584,O=C1C(N2CCC(Oc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)CC2)CCN1C1CC1,RLXPFHGYVGZFNX-UHFFFAOYSA-N
-rxn:4:219540:224197,CCN1CCN(Cc2ccc(-c3ccccc3C(=O)N3CCC(N(C)c4cc(C)ncn4)CC3)cc2F)CC1,YVJZPBUIXJLXSL-UHFFFAOYSA-N
-rxn:4:219543:225828,Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCCC5)nc4)cc3)CC2)n1,FLMWUAFHINGLII-UHFFFAOYSA-N
-rxn:4:219552:226112,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(OCC2CC2)cc1C,MSGBYIBUYBTDAB-UHFFFAOYSA-N
-rxn:4:219565:223294,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4csc(N5CCNCC5)n4)cc3)CC2)n1,VAVYYBVRROGYDM-UHFFFAOYSA-N
-rxn:4:219565:225828,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCCCC5)nc4)cc3)CC2)n1,NNFBQYDNAHKSIE-UHFFFAOYSA-N
-rxn:4:219565:226382,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCCC5)nc4)cc3)CC2)n1,DSULDEYSNKWQJF-UHFFFAOYSA-N
-rxn:4:219565:226792,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4cnc(N5CCOCC5)nc4)cc3)CC2)n1,HHDAQYLYNIUFPI-UHFFFAOYSA-N
-rxn:4:219614:223892,CN1CCN(CCCOc2ccc(-c3cnccc3OC3CCN(S(=O)(=O)c4cccc5nsnc45)C3)cc2)CC1,SRDPJXGKUVWNSE-UHFFFAOYSA-N
-rxn:4:219653:224194,CCN1CCN(Cc2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cc2Cl)CC1,TYGYXPNXRHURII-UHFFFAOYSA-N
-rxn:4:219654:225805,CC(c1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)s1)N1CCOCC1,COESHUUSJXGWMU-UHFFFAOYSA-N
-rxn:4:219687:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,JLGZLSZQXPZPLT-UHFFFAOYSA-N
-rxn:4:219717:224676,Cc1ccnc(N2CC3CN(C(=O)Cc4ccc(-c5ccccc5C(=O)N5CCN(C)CC5)cc4)CC3C2)n1,WVNDWDPSIMYAFV-UHFFFAOYSA-N
-rxn:4:219717:224689,Cc1ccnc(N2CC3CN(C(=O)Cc4ccc(-c5ccc(C(=O)N6CCCCC6)cc5Cl)cc4)CC3C2)n1,AZEVJCGTNPPVOG-UHFFFAOYSA-N
-rxn:4:219760:224830,O=c1n(Cc2cccc(-c3cc(C(F)(F)F)nn3C3CCCCO3)c2)nc2c(S(=O)(=O)N3CCCCCC3)cccn12,UGYWQBXAFYWCKC-UHFFFAOYSA-N
-rxn:4:219763:224806,Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)c2cncc(-c3ccc(S(=O)(=O)N(C)C4CC4)cc3F)c2)CC1,FACBNKMRXQOBHU-UHFFFAOYSA-N
-rxn:4:219867:222693,CCN1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2[N+](=O)[O-])CC1,WECBPIPCKVDCGY-UHFFFAOYSA-N
-rxn:4:219867:224617,CCN1CCN(c2ncc(-c3ccc(OCCN4CCCC4)c(Cl)c3)cc2[N+](=O)[O-])CC1,WJGMVWUNGKHONT-UHFFFAOYSA-N
-rxn:4:219874:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(n3ccnn3)C2)cc1S(=O)(=O)NC1CCCCC1,WBVGSCXNSWPFAS-UHFFFAOYSA-N
-rxn:4:219931:223834,Cc1cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,NNAOMDKWZLUBPW-UHFFFAOYSA-N
-rxn:4:219941:224101,COc1cc(N2CCN(c3ncc(Cl)cc3-c3cccc(OCCN4CCC(C)CC4)c3)CC2=O)ccn1,BIMSLROUWYMBAF-UHFFFAOYSA-N
-rxn:4:219975:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)c1,GTEGLIABRRJNJZ-UHFFFAOYSA-N
-rxn:4:220049:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn(CCN4CCOCC4)c4ncnc(Cl)c34)cc2Cl)CC1,CAXKYBWGAURKCY-UHFFFAOYSA-N
-rxn:4:220131:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cnc(N3CC(N4CC5CCCC5C4)C3)c(C#N)c2)cn1,SIUTZWCKPQGPOF-UHFFFAOYSA-N
-rxn:4:220191:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCOC(C(=O)N6CCCC6)C5)ncc4c3)c(Cl)c2)CC1,UUMAKNPKCXLGRA-UHFFFAOYSA-N
-rxn:4:220202:224198,CCN1CCN(Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCC(n5cnc6ncccc6c5=O)CC4)c3)c(F)c2)CC1,UVBONYXGKFLJIO-UHFFFAOYSA-N
-rxn:4:220230:223602,Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,KOGGSLJVZBUPSC-UHFFFAOYSA-N
-rxn:4:220267:223570,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c4ccccc4N23)c1C,PRLGDOARZQWTPK-UHFFFAOYSA-N
-rxn:4:220415:224127,CCN1CCN(C(C)c2ccc(-c3cnc(N4CCN(C5CCC5)CC4)nc3)cc2)CC1,OHFWTGADULICAL-UHFFFAOYSA-N
-rxn:4:220444:223588,Cc1cc(-c2cnc3[nH]nc(C(=O)N4CCC4)c3c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,NMGROKFDCIIEFD-UHFFFAOYSA-N
-rxn:4:220518:223531,CCN1CCN(c2cnc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc3n2)CC1,GKRUQYOIIFKKCX-UHFFFAOYSA-N
-rxn:4:220518:223602,CCN1CCN(c2cnc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3n2)CC1,UNFVRZXINOPTOM-UHFFFAOYSA-N
-rxn:4:220519:223594,CCN1CCN(c2ncnc3ccc(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)CC1,SVYMCAQTODZWQX-UHFFFAOYSA-N
-rxn:4:220814:223507,CN1CCN(c2ncc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,MUVMZIKVUBWFPZ-UHFFFAOYSA-N
-rxn:4:220935:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc3ccc(N4CCOCC4)nn23)CC1,DFZFVFPVCRFUHA-UHFFFAOYSA-N
-rxn:4:220936:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cn4ccnc4c(N4CCOCC4)n3)c(Cl)c2)CC1,TWKCWYHLTPZLME-UHFFFAOYSA-N
-rxn:4:221094:224182,Cc1cc(-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)ccc1OCCN1CCOCC1,ZRNXXVGMJCUNNK-UHFFFAOYSA-N
-rxn:4:221094:224589,CC1CCN(Cc2cc(F)ccc2-c2cnn(CC3CN(C(=O)Cn4cnc(C5CC5)cc4=O)C3)c2)CC1,QTEWPKLPBSVSKW-UHFFFAOYSA-N
-rxn:4:221103:224197,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)Cn5cnc(C)cc5=O)C4)nc3)cc2F)CC1,JZPVSTQQKFDRSR-UHFFFAOYSA-N
-rxn:4:221105:225975,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccnc(N5CCOCC5)c4Cl)cn3)C2)nc1C,LZZADRBYCUTWEP-UHFFFAOYSA-N
-rxn:4:221105:226659,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(N5CCCC5)c(Cl)c4)cn3)C2)nc1C,UQPHEDBNSWNVEJ-UHFFFAOYSA-N
-rxn:4:221105:226691,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCCC5)c4)cn3)C2)nc1C,IGPNJGLECLOVBN-UHFFFAOYSA-N
-rxn:4:221111:222967,CC(C)CNC(=O)c1cccc(-c2cccc(N3CC(C(=O)N4CCN(CCn5ccnc5)CC4)CC3=O)c2)c1,YTENFNWQSHEPCG-UHFFFAOYSA-N
-rxn:4:221116:223060,CCOc1ccc(-c2cc(Cl)nc(C3CCNCC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,RXNKQHQCQHQPNT-UHFFFAOYSA-N
-rxn:4:221121:223113,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)C(C)(C)C(=O)N6)ccc43)CC2)CC1,SMEGMGBPSKPJLZ-UHFFFAOYSA-N
-rxn:4:221129:224400,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(N6CCOCC6)c(C(F)(F)F)c5)cc4)nnn3c3ccccc23)CC1,HEFOEXBXGRAJBC-UHFFFAOYSA-N
-rxn:4:221148:222612,N#Cc1cccnc1N1CCCC(COc2ncc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cn2)C1,YDCKNAFVUATJKF-UHFFFAOYSA-N
-rxn:4:221149:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(OCC2CCCN(c3ccc(C#N)cn3)C2)nc1,GZGZJQNNXVPAGU-UHFFFAOYSA-N
-rxn:4:221164:223508,COc1ccnc(N2CCCC(COc3ncc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cn3)C2)n1,NAISNTPXUAOABK-UHFFFAOYSA-N
-rxn:4:221184:224754,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4ccccc4S(=O)(=O)N4CCCCC4)cn3)C2)n1,HTXZDKFXVXQHCJ-UHFFFAOYSA-N
-rxn:4:221184:224819,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cn3)C2)n1,JORHTPITVCBZRF-UHFFFAOYSA-N
-rxn:4:221184:225296,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cn3)C2)n1,BESAESWNLZHPLE-UHFFFAOYSA-N
-rxn:4:221230:222524,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cn3)C1)CCC2,VAXGXTYLBVRSTL-UHFFFAOYSA-N
-rxn:4:221230:223059,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(N5CCNCC5)cc4Cl)cn3)C1)CCC2,YJNRKERUAQTJNG-UHFFFAOYSA-N
-rxn:4:221240:223671,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C1)CCC2,NTWDZRDBMTWVGN-UHFFFAOYSA-N
-rxn:4:221267:225320,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(N4CCOCC4)c(F)c3F)cc2)n(C)c1=O,CNADSQIHIJLOJP-UHFFFAOYSA-N
-rxn:4:221269:225977,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(Cl)cnc3N3CCOCC3)cc2)n(C)c1=O,GTPPSBOXFRFWEW-UHFFFAOYSA-N
-rxn:4:221357:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(c5cc(C6CCC6)ncn5)C4)c3)cc2F)CC1,DJVRWXPQJFZPCJ-UHFFFAOYSA-N
-rxn:4:221380:226502,Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cncc(-c4ccn(C(=O)OC(C)(C)C)c4)c3)CC2)c1=O,FXKRIEODUHEMFV-UHFFFAOYSA-N
-rxn:4:221380:226556,CCCOc1cc(-c2cncc(C(=O)N3CCC(n4nc(C(F)(F)F)n(C)c4=O)CC3)c2)cc(Cl)c1F,KBQNPYZISGLWSW-UHFFFAOYSA-N
-rxn:4:221394:224317,CN1CCN(C(=O)c2ccc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)c(F)c2)CC1,MDRYGMWJSLWHOH-UHFFFAOYSA-N
-rxn:4:221395:222542,Cc1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1OCCCN1CCNCC1,JHBANGHMTZXOHI-UHFFFAOYSA-N
-rxn:4:221414:224582,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4cccc(N5CCN(C6CC6)CC5)c4)c3)CC2)cn1C,XHKRWGNYQQSTRE-UHFFFAOYSA-N
-rxn:4:221417:222634,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccc(-c5ccc(OCCNC6CCCC6)c(F)c5)o4)CC3)n2)n1,BKJUOQQLLMIEDU-UHFFFAOYSA-N
-rxn:4:221420:223881,Cc1ccc2cc(-c3ccccc3C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)n(C(=O)OC(C)(C)C)c2c1,MBHUDGHDHOHIHD-UHFFFAOYSA-N
-rxn:4:221426:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1,BWSALSMKUPQLSP-UHFFFAOYSA-N
-rxn:4:221427:223084,OC1CCN(c2ncc(-c3ccccc3CN3CCN(c4cc(N5CCOCC5)ncn4)CC3)cn2)CC1,LEVYFTGDCPGHIX-UHFFFAOYSA-N
-rxn:4:221436:226482,COCCOc1ncc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)cc1C,XPFOHTJADIRWJK-UHFFFAOYSA-N
-rxn:4:221437:222876,CC(C)(C)NC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)o2)cc1F,PDBUQVBPWAHMFA-UHFFFAOYSA-N
-rxn:4:221437:226484,COCCOc1cc(Cl)ccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)o1,XVYBWHZPQLVJMN-UHFFFAOYSA-N
-rxn:4:221437:227467,COCCOc1cnccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)o1,FEFVRCKPHBCHKY-UHFFFAOYSA-N
-rxn:4:221515:225221,CC1CCCN(c2cc(-c3cncc(C(=O)N4CC5CN(c6cc(C7CC7)ncn6)CC5C4)c3)c(F)cn2)C1,BCJSBKKLVVWQJU-UHFFFAOYSA-N
-rxn:4:221522:223534,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cc(OC6CCN(C(=O)OC(C)(C)C)CC6)ncc5F)cn4)CC3)cnc2c1,VXDNNGAFNYEIEW-UHFFFAOYSA-N
-rxn:4:221528:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3nc(C(=O)N4CCN(c5nc6ccccc6n5C)CC4)c(C(C)C)s3)cc2)CC1,PGBTYJDXMBLDAZ-UHFFFAOYSA-N
-rxn:4:221543:223812,Cc1cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1,GKLZHCZTGCBLDS-UHFFFAOYSA-N
-rxn:4:221594:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC(Cn5ncccc5=O)C4)nc3)cc2)CC1,WCFFVUVIPGGYSF-UHFFFAOYSA-N
-rxn:4:221604:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCSCC3)c(F)c2)CC1,NUJMEDHUMBZQKV-HZCBDIJESA-N
-rxn:4:221640:223748,Cc1cc(C)nc(N2CCC(Oc3ncc(-c4cc(N5CCCCC5)cc(N5CCCCC5)c4)cn3)CC2)n1,GJOHNUUCOBYUJS-UHFFFAOYSA-N
-rxn:4:221693:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CC(n5c(C6CC6)nc6ccccc65)C4)nc3)c(F)cc2C)CC1,GFNOKMHTHNAXEG-UHFFFAOYSA-N
-rxn:4:221721:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(Cn5cnc6ccccc6c5=O)CC4)nc3)c(F)cc2C)CC1,ZLMIZBWOTVBPLT-UHFFFAOYSA-N
-rxn:4:221726:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,LLZLHPMIWKXXSB-SOAUALDESA-N
-rxn:4:221832:224634,COc1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1CN1CCOCC1,VENNRNNGXNVNTC-UHFFFAOYSA-N
-rxn:4:221836:223831,COc1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,SJPIKUFKGHDEOE-UHFFFAOYSA-N
-rxn:4:221836:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1,ILPDIGDEGSWXCA-UHFFFAOYSA-N
-rxn:4:221836:223953,COCCN1CCN(c2cc(F)cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,XWVWKKWRZZZRAL-UHFFFAOYSA-N
-rxn:4:221836:225274,COCCOc1c(F)cc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)c(C)c1F,BRNGPVRQRPROBE-UHFFFAOYSA-N
-rxn:4:221914:225123,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4ccncc4OCC4CCCCO4)cc3)n2)CC1,ZFUUMNNRFZDXNQ-UHFFFAOYSA-N
-rxn:4:221935:222612,N#Cc1nccnc1N1CCCC(COc2ncc(-c3cc(S(=O)(=O)N4CCC(O)CC4)ccc3F)cn2)C1,UYGWMZJRIIZINB-UHFFFAOYSA-N
-rxn:4:221935:223508,N#Cc1nccnc1N1CCCC(COc2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,KGAYSTQSOBCRHJ-UHFFFAOYSA-N
-rxn:4:221935:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)c2)CC1,JOMVOMVRLULLCW-UHFFFAOYSA-N
-rxn:4:221935:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)cc2)CC1,AFDXNONKGSMNLV-UHFFFAOYSA-N
-rxn:4:221977:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)cc2C1,OEQHQQOUEORNLI-UHFFFAOYSA-N
-rxn:4:221985:225168,Cn1cc(-c2nc3cnc(-c4ccc(CN5CCOCC5)c(F)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,SNMUCULGPNKSER-XMMPIXPASA-N
-rxn:4:221985:225177,Cn1cc(-c2nc3cnc(-c4ccc(CN5CCSCC5)c(F)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,NLVZQAHYVBZBGP-XMMPIXPASA-N
-rxn:4:221985:225664,Cn1cc(-c2nc3cnc(-c4ccc(N5CCCCC5)cc4Cl)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,XKBRVWHFDMXKHH-HSZRJFAPSA-N
-rxn:4:221985:225979,Cn1cc(-c2nc3cnc(-c4cnc(N5CCOCC5)c(Cl)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,MIBWBUCJEWJVIR-OAQYLSRUSA-N
-rxn:4:221985:226659,Cn1cc(-c2nc3cnc(-c4cnc(N5CCCC5)c(Cl)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,ZHMINHQXFGXXRN-OAQYLSRUSA-N
-rxn:4:221985:226691,Cn1cc(-c2nc3cnc(-c4cnc(Cl)c(N5CCCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,LBQXFSZZAWARCH-OAQYLSRUSA-N
-rxn:4:221995:225827,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccnc(N6CCN(C)CC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,BEMQOARSNXMLCX-UHFFFAOYSA-N
-rxn:4:221996:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnn(CC4CN(c5nccnc5C#N)C4)c3)c2Cl)CC1,RXYRMTHOEXQWKO-UHFFFAOYSA-N
-rxn:4:222039:227719,O=C(c1cc(-c2ccc(Cl)c(OC(F)F)c2)ccc1-n1cnnn1)N1CCN(C2CCS(=O)(=O)C2)CC1,MVVMVFRUELMLIG-UHFFFAOYSA-N
-rxn:4:222044:224257,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5cc(C(=O)N6CCCCC6C)ccc5Cl)cc4)CC3)nn2)n1,CAIDTBBORPRUST-UHFFFAOYSA-N
-rxn:4:222089:222888,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(CN6CCNCC6)c(Cl)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,KMIZKSTUCZZQAZ-UHFFFAOYSA-N
-rxn:4:222108:225731,CCOC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c(OC)c1,SHSGSTUKNKRHGI-UHFFFAOYSA-N
-rxn:4:222129:223606,CC(C)CCn1c2c(O)nc(=O)n(C)c2n2c(-c3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c(F)c4)cc3)nnc12,PCFWFEHGQXYOSM-UHFFFAOYSA-N
-rxn:4:222153:224195,CCN1CCN(Cc2cc(-c3cnc(N4CCN(c5cc(C(F)F)nc(C)n5)CC4)nc3)ccc2Cl)CC1,WBHJTKUOFZCMJH-UHFFFAOYSA-N
-rxn:4:222154:223811,Cc1nc(N2CCN(c3ncc(-c4ccc(CN5CCC6(CC5)OCCO6)c(Cl)c4)cn3)CC2)cc(C(F)(F)F)n1,QKXZEZNREMMKCU-UHFFFAOYSA-N
-rxn:4:222156:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)c2)C1,OSOIPQKKFNOPGQ-UHFFFAOYSA-N
-rxn:4:222156:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)c2)CC1,CYJDNANBTMADKV-UHFFFAOYSA-N
-rxn:4:222161:223508,Cn1nc(C2CCN(c3ncc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cn3)CC2)n(C2CC2)c1=O,GQTRHDHRXGJZEP-UHFFFAOYSA-N
-rxn:4:222161:224325,Cn1nc(C2CCN(c3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)n(C2CC2)c1=O,SIUVUYJHPYPGGW-UHFFFAOYSA-N
-rxn:4:222168:222851,CCc1cc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)cc(C2CCNCC2)n1,DYHLUDKYBICYAY-UHFFFAOYSA-N
-rxn:4:222178:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(c4ncnc5c4ncn5C)C3)c(F)cc2C)CC1,HUFQLZZYISOPBH-UHFFFAOYSA-N
-rxn:4:222182:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3CN3CCN(c4ccc5nncn5n4)CC3)c(F)cc2C)CC1,BGOYRHYFKHZDAS-UHFFFAOYSA-N
-rxn:4:222229:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)cc2F)CC1,MRKCROWWJFKZLX-UHFFFAOYSA-N
-rxn:4:222279:223695,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5-c5cccc(S(=O)(=O)N6CCC7(CC6)OCCO7)c5)CC4)ncnc32)cc1,NWFUICIUWBEPCI-UHFFFAOYSA-N
-rxn:4:222286:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)ccc2OC)CC1,SSHQXHQCUCSNEY-UHFFFAOYSA-N
-rxn:4:222288:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(Cl)c(C(=O)N4CCN(c5cc(-n6cncn6)ncn5)CC4)c3)c2)CC1,VTXDVPYBEADDIK-UHFFFAOYSA-N
-rxn:4:222289:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cnc(N4CCC(Cn5nc(-n6cccn6)ccc5=O)CC4)nc3)c2)CC1,AMBYMMOXQFFXBH-UHFFFAOYSA-N
-rxn:4:222302:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(OCC3CCCN(c4ncnc5c4ncn5C)C3)nc2)CC1,ABYYGTQFOLSSOT-UHFFFAOYSA-N
-rxn:4:222302:223992,Cc1ccc(-c2cnc(OCC3CCCN(c4ncnc5c4ncn5C)C3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,LXCZGEMNJSTAJF-UHFFFAOYSA-N
-rxn:4:222329:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5nccc(N6CCCC6)n5)CC4)nc3)c2)CC1,RFTUQULGZKEXLJ-UHFFFAOYSA-N
-rxn:4:222336:223831,COc1ccc(-c2cnc(N3CCC(n4nc(-n5nc(C)cc5C)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,OIDIJKQUPMSUIU-UHFFFAOYSA-N
-rxn:4:222336:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(n3nc(-n4nc(C)cc4C)ccc3=O)CC2)nc1,DISBLHCRDLWGSH-UHFFFAOYSA-N
-rxn:4:222336:223840,COc1ccc(-c2cnc(N3CCC(n4nc(-n5nc(C)cc5C)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,FVXWOTROPZQIHA-UHFFFAOYSA-N
-rxn:4:222336:223985,COc1ccc(-c2cnc(N3CCC(n4nc(-n5nc(C)cc5C)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCCCC1,DNVHTQJSEUXVEZ-UHFFFAOYSA-N
-rxn:4:222336:223992,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(-c5ccc(C)c(S(=O)(=O)N6CCN(C)CC6)c5)cn4)CC3)n2)n1,WEPKJHSTZOVGNX-UHFFFAOYSA-N
-rxn:4:222337:224396,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cn3)CC2)n1,KISGGIVAWGHGFJ-UHFFFAOYSA-N
-rxn:4:222338:224933,Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(-c4ccc(OCCN5CCCC5)cc4)cn3)CC2)n1,TUKKPWTZWAXXCO-UHFFFAOYSA-N
-rxn:4:222339:224197,CCN1CCN(Cc2ccc(-c3cncc(N4CCN(c5cc(N6CCN(C)CC6)nc(C)n5)CC4)c3)cc2F)CC1,SNPRMMMXCXBQKS-UHFFFAOYSA-N
-rxn:4:222339:224323,Cc1nc(N2CCN(C)CC2)cc(N2CCN(c3cncc(-c4cc(C)c(S(=O)(=O)N5CCCC5)c(C)c4)c3)CC2)n1,CZXAUJSJXFMFTP-UHFFFAOYSA-N
-rxn:4:222339:224396,Cc1nc(N2CCN(C)CC2)cc(N2CCN(c3cncc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)c3)CC2)n1,KJEOJVKQTZOWID-UHFFFAOYSA-N
-rxn:4:222346:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cncc(C(=O)N3CC4CN(c5ccc6nncn6n5)CC4C3)c2)CC1,RCRMQTIFHDFJEW-UHFFFAOYSA-N
-rxn:4:222346:223959,CCN1CCN(C(=O)c2cc(-c3cncc(C(=O)N4CC5CN(c6ccc7nncn7n6)CC5C4)c3)ccc2Cl)CC1,XDLMZSSDCUUYDD-UHFFFAOYSA-N
-rxn:4:222349:224394,Cc1ccc(-c2cncc(C(=O)N3CC4CN(c5ncnc6c5ncn6C)CC4C3)c2)cc1S(=O)(=O)N1CCOCC1,JTZKLXSOYNHOLJ-UHFFFAOYSA-N
-rxn:4:222355:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ccc6nc(C)cn6n5)CC4)nc3)c(F)cc2C)CC1,FZRKGUDJZGOUBV-UHFFFAOYSA-N
-rxn:4:222360:222655,COCCn1cnc2c(N3CCN(c4ncc(-c5ccc(C(=O)NC6CCCCC6)c(Cl)c5)cn4)CC3)ncnc21,DCCUVZNYNCQNFB-UHFFFAOYSA-N
-rxn:4:222360:222656,COCCn1cnc2c(N3CCN(c4ncc(-c5ccc(C(=O)NC6CCCCC6)c(F)c5)cn4)CC3)ncnc21,HHLIBSUNXRWSRT-UHFFFAOYSA-N
-rxn:4:222360:222658,COCCn1cnc2c(N3CCN(c4ncc(-c5cc(F)cc(C(=O)NC6CCCCC6)c5)cn4)CC3)ncnc21,QWOQGBAXJGZRBF-UHFFFAOYSA-N
-rxn:4:222360:223508,COCCn1cnc2c(N3CCN(c4ncc(-c5ccc(N6CCN(S(=O)(=O)c7ccc(Cl)cc7)CC6)nc5)cn4)CC3)ncnc21,KXHJMPJBZIYPLH-UHFFFAOYSA-N
-rxn:4:222360:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CCOC)CC4)nc3)c2)CC1,VASCNZUQCJGUKO-UHFFFAOYSA-N
-rxn:4:222360:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CCOC)CC4)nc3)cc2)CC1,HLJMKWUVALVSKO-UHFFFAOYSA-N
-rxn:4:222360:224018,COCCn1cnc2c(N3CCN(c4ncc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCOCC5)cn4)CC3)ncnc21,BSYXYSFKMOGJKP-UHFFFAOYSA-N
-rxn:4:222360:224396,COCCn1cnc2c(N3CCN(c4ncc(-c5ccc(S(=O)(=O)N6CCOCC6)c(C)c5)cn4)CC3)ncnc21,LEXNKAOUDMJLEZ-UHFFFAOYSA-N
-rxn:4:222360:224404,COCCn1cnc2c(N3CCN(c4ncc(-c5ccc(S(=O)(=O)N6CCOCC6)c(F)c5)cn4)CC3)ncnc21,JTAGMKMQLVWLEY-UHFFFAOYSA-N
-rxn:4:222360:224405,COCCn1cnc2c(N3CCN(c4ncc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCCC5)cn4)CC3)ncnc21,HRNQWJOZTFPZDV-UHFFFAOYSA-N
-rxn:4:222361:224404,COCCn1cnc2c(N3CC4CN(c5ncc(-c6ccc(S(=O)(=O)N7CCOCC7)c(F)c6)cn5)CC4C3)ncnc21,XEECLCAZUAYLHA-UHFFFAOYSA-N
-rxn:4:222362:223695,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(S(=O)(=O)N7CCC8(CC7)OCCO8)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,YLGIBRTTXDKQGH-UHFFFAOYSA-N
-rxn:4:222364:223831,COc1ccc(-c2cnc(N3CCC(Cn4nc(-n5cncn5)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,VEFZCVGVYRCAGK-UHFFFAOYSA-N
-rxn:4:222364:223834,Cc1cc(-c2cnc(N3CCC(Cn4nc(-n5cncn5)ccc4=O)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,BRHNQNMFZOCCEV-UHFFFAOYSA-N
-rxn:4:222364:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(Cn3nc(-n4cncn4)ccc3=O)CC2)nc1,JEKWHWWDWCBQPB-UHFFFAOYSA-N
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-rxn:4:222364:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCC(Cn4nc(-n5cncn5)ccc4=O)CC3)nc2)CC1,PCIJPEVJCXDQSH-UHFFFAOYSA-N
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-rxn:5:177373:227804:225671,O=[N+]([O-])c1cc(-c2cc(-c3cc(C4CCCCC4)ncc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,SFAUTZHVTSTASR-UHFFFAOYSA-N
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-rxn:5:177891:227446:223138,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNCC2)c1)c1ccccc1-c1ccc(C2OCCO2)cc1,OGRUCIQRVKFOOM-UHFFFAOYSA-N
-rxn:5:177891:227491:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1cnc(OC2CCC2)nc1,NDCGBXBOXQIFCB-UHFFFAOYSA-N
-rxn:5:177891:227517:226180,Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3COC3)nc2)cc(C2CCCC2)n1,NOZPOBYXSUGSPW-UHFFFAOYSA-N
-rxn:5:177891:227654:226338,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCCC2)c1)c1ccccc1-c1ccc(C2OCCO2)nc1,HSHHXVORTRRCOT-UHFFFAOYSA-N
-rxn:5:177891:227673:226581,CN(C)C(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccc(C(C)(F)F)c2F)c1F,OISVVXDLWVMURO-UHFFFAOYSA-N
-rxn:5:177971:225498:226464,COc1ccc2c(c1-c1ccc(-c3cc(C4CCCCC4)ccc3F)cc1OCC1CCCC1)OCCO2,XYJSTXJMJYRIFY-UHFFFAOYSA-N
-rxn:5:178119:223189:226762,CSc1cc(-c2c(C)cc(C(=O)OC(C)(C)C)cc2-c2ccc(NS(C)(=O)=O)cc2F)cc(C(F)(F)F)c1,LNEDTMKTRUABIL-UHFFFAOYSA-N
-rxn:5:178120:225634:227506,Cc1cc(-c2cccc(OCC3CCOCC3)c2-c2cccc(/C=C/[N+](=O)[O-])c2)cnc1N1CCCCC1,KXSNBXPFVPLDNL-LFIBNONCSA-N
-rxn:5:178226:226898:227205,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(OCC2CCCCC2)cccc1-c1cccc2c1OCCCO2,CDZFXRCIZVEARW-UHFFFAOYSA-N
-rxn:5:178226:226898:228016,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(OCC2CCCCC2)cccc1-c1cc(C2CCCC2)cs1,KUGWCXHUDLQBTG-UHFFFAOYSA-N
-rxn:5:178295:222405:227955,COC(=O)C1(c2cc(-c3cc(C)cnc3C(C)C)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,YWRZVWJLBCHQLI-UHFFFAOYSA-N
-rxn:5:178295:225886:227071,COCc1cc(C)c(-c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,CSOLGBQNLYPPPL-UHFFFAOYSA-N
-rxn:5:178295:225933:223244,COC(=O)C1(c2cc(-c3cc4cn[nH]c4cc3OC)ccc2-c2cc(C3CC3)nc(C(F)(F)F)c2)CCC(=O)CC1,XKJPJNTWIHLZDK-UHFFFAOYSA-N
-rxn:5:178295:226061:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(C(C)C)cc(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VJVSOUMILAUEIU-UHFFFAOYSA-N
-rxn:5:178295:226154:228443,COC(=O)C1(c2cc(-c3ccc(F)c(SC)c3F)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,BYLYDAVVQZQAMJ-UHFFFAOYSA-N
-rxn:5:178295:227052:226085,COC(=O)C1(c2cc(-c3ccc4c(c3)CCC(C)(C)O4)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,GDOCFTAULRWIKF-UHFFFAOYSA-N
-rxn:5:178295:227076:228180,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(F)c(COC)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NBIXYWILRYGUHF-UHFFFAOYSA-N
-rxn:5:178295:227102:227313,CCC(C)c1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,LTYRLEYRVQVUGJ-UHFFFAOYSA-N
-rxn:5:178295:227524:227816,CCCc1ccc(-c2ccc(-c3cc(OC)c(C#N)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,NIQKKKOCFGUNAD-UHFFFAOYSA-N
-rxn:5:178295:227540:228430,COC(=O)C1(c2cc(-c3c(F)cc(SC)cc3F)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,ZXZYUGRBNUEZFU-UHFFFAOYSA-N
-rxn:5:178295:227591:228562,CCC(C)c1csc(-c2ccc(-c3ccc(C(F)F)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SJBWNMLHVQOZHJ-UHFFFAOYSA-N
-rxn:5:178295:227818:227076,CCC(C)c1cccc(-c2ccc(-c3cc(C(C)CC)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ARAMFLYEXDZMSY-UHFFFAOYSA-N
-rxn:5:178295:228161:227346,CCCc1cc(F)c(-c2ccc(-c3ccc(OCC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,PNRDPBLHBMOHLK-UHFFFAOYSA-N
-rxn:5:178295:228388:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2cc(C(F)F)ncc2C)CCC(=O)CC1,DMWFCYJVUZZWBO-UHFFFAOYSA-N
-rxn:5:178295:228411:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(OC)c(F)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,OSEPKXDGSHKZQT-UHFFFAOYSA-N
-rxn:5:178295:228431:227068,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3F)ccc2-c2cc(F)cc(F)c2SC)CCC(=O)CC1,AZLNKDZBAFZAOE-UHFFFAOYSA-N
-rxn:5:178295:228606:226188,CCc1ccc(F)c(-c2ccc(-c3cc(C)c([Si](C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GHDJMEHKSPKEKA-UHFFFAOYSA-N
-rxn:5:178313:223203:225407,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3(O)CCC3)c2)c(-c2ccc(C3CCCCCC3)cc2)c1,MAWRGTQDUCIHHV-UHFFFAOYSA-N
-rxn:5:178313:225394:226980,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2cccc3c2C(=O)CCC3)c1,JCPFHMNBRFRFGH-UHFFFAOYSA-N
-rxn:5:178313:225451:227724,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCCC3)cc2)c(-c2cc(OC(F)F)ccc2F)c1,GEKQPYXCOUCXGZ-UHFFFAOYSA-N
-rxn:5:178313:225453:227072,COc1cc(C2CC2)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1cccc(SC2CCCCC2)c1,NCFSDARHPHXEPS-UHFFFAOYSA-N
-rxn:5:178313:225472:227052,CC1CCCCN1c1cccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc(SC(C)(C)C)cc2)c1,SDKHEAPJMZLIEE-UHFFFAOYSA-N
-rxn:5:178313:225499:227126,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCC3)cc2F)c(-c2ccc(C3CCOC3)cc2)c1,XXKNLRWLJKZDGL-UHFFFAOYSA-N
-rxn:5:178313:226064:226589,CC(C)c1cnc(C(F)F)cc1-c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1ccc(C2CCCCC2)cc1,BFZQQYRNVMQAMB-UHFFFAOYSA-N
-rxn:5:178313:226190:226150,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCC3)cc2F)c(-c2cccc(SC3CCCC3)c2)c1,IWZDAWPJAPZGCZ-UHFFFAOYSA-N
-rxn:5:178313:227080:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(N3CCCC3)c2)c(-c2cc(C3CCCCC3)ccc2F)c1,VASUDGGMACNHLH-UHFFFAOYSA-N
-rxn:5:178314:226062:226589,CC(C)c1cc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)c(O[Si](C)(C)C(C)(C)C)c2)cc(C(C)C)c1,CRINJCLGYAMSQQ-UHFFFAOYSA-N
-rxn:5:178314:227045:225470,CC1CCN(c2ccc(-c3ccc(-c4cccc(SC(C)(C)C)c4)cc3O[Si](C)(C)C(C)(C)C)cc2)CC1,XDGDJXNOPDZJIX-UHFFFAOYSA-N
-rxn:5:178314:227052:225469,CC1CCCN(c2ccc(-c3ccc(-c4ccc(SC(C)(C)C)cc4)cc3O[Si](C)(C)C(C)(C)C)cc2)C1,MJYSHSAUQRSMSJ-UHFFFAOYSA-N
-rxn:5:178315:225450:227413,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C3CCCC3)cc2)cc(-c2cnc(C3CCC3)cc2F)c1,CBUGGXGNOYUDJB-UHFFFAOYSA-N
-rxn:5:178315:225453:226916,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCCC3)c2)cc(-c2cccc(C3=CCCC3)c2)c1,COTBYBWDGGCELW-UHFFFAOYSA-N
-rxn:5:178315:225453:227712,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCCC3)c2)cc(-c2ccc(OC(F)F)c(F)c2)c1,QKXSQGQOOGKZTG-UHFFFAOYSA-N
-rxn:5:178466:225656:225834,CC(C)OC(=O)c1sc2cc(-c3cncc(N4CCCCC4C)c3)ccc2c1-c1cc(N2CCCCC2)ncc1F,FSPICJAFFWRILD-UHFFFAOYSA-N
-rxn:5:178467:223064:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,OAHTUGTUSOJXFB-UHFFFAOYSA-N
-rxn:5:178467:223138:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,TTYBJCUIFAXHKG-UHFFFAOYSA-N
-rxn:5:178467:223147:223202,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(C4CNCCO4)cc3)c2OC1,SQEDZEVYIAMCRT-UHFFFAOYSA-N
-rxn:5:178467:226144:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3ccc(C#C[Si](C)(C)C)cc3)c2OC1,IWBBRVKLWFFXAT-UHFFFAOYSA-N
-rxn:5:178467:226663:226085,CCOC(=O)C1=Cc2cc(-c3ccc4c(c3)CCC(C)(C)O4)cc(-c3ccc(N4CCSCC4)nc3)c2OC1,SWTXURLCUCFWSL-UHFFFAOYSA-N
-rxn:5:178467:226664:227492,CCOC(=O)C1=Cc2cc(-c3c(OC)ncnc3C3CC3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,AHPOVKGHOONBOQ-UHFFFAOYSA-N
-rxn:5:178467:227387:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3ccnc(N4CCCC4)c3)c2OC1,HVTCGHIKZYQOGR-UHFFFAOYSA-N
-rxn:5:178467:227507:223135,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCNC3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,PVOFXYNLRFLDLX-UHFFFAOYSA-N
-rxn:5:178467:227803:227300,CCOC(=O)C1=Cc2cc(-c3cncc(OC4CCC4)c3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,GIRPKZRWKKXZOQ-UHFFFAOYSA-N
-rxn:5:178467:227944:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cncc(C(C)(C)C)c3)c2OC1,YBPKYZVJVFLXOX-UHFFFAOYSA-N
-rxn:5:179417:225805:226571,CCS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cnn(CC3CCOCC3)c2)c1,WXEDYJDTYYVYBZ-UHFFFAOYSA-N
-rxn:5:179629:226583:226429,COc1ccc(-c2ccc(CN3CCOCC3)s2)c(S(C)(=O)=O)c1-c1ccc(N2CCCC(C)C2)s1,DWADESQQNOINPQ-UHFFFAOYSA-N
-rxn:5:180021:225985:227656,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1cc(N2CCOCC2)cs1,ZTTONLBOWUKDBH-UHFFFAOYSA-N
-rxn:5:180092:223061:225849,C[Si](C)(C)C#Cc1cc(-c2cnc(N3CCCCC3)cc2F)cc(-c2cc(C3CCNCC3)ncc2F)c1,XJYIVGADSFZPND-UHFFFAOYSA-N
-rxn:5:180203:225805:227803,CC(c1ccc(-c2cc(OC3CCOCC3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2)s1)N1CCOCC1,ARSBQUHHHJRTNY-UHFFFAOYSA-N
-rxn:5:180267:225925:225454,CSc1cc(C(C)(C)C)cc(-c2cc(S(=O)(=O)N(C)C)ccc2C)c1-c1ccc(C2=CCN(C)CC2)cc1,ZVZFRQUUINFFGU-UHFFFAOYSA-N
-rxn:5:180297:222409:223135,COc1cc(-c2ccc(OC)c(S(N)(=O)=O)c2)c(C2(C)OCCO2)cc1-c1cccnc1C1CCCNC1,MLKLGLMMEIYBFQ-UHFFFAOYSA-N
-rxn:5:180421:226898:227449,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(CC2CCCCC2)ccc1-c1ccc(C2CCOCC2)s1,OSFYAPHDBNMUQD-UHFFFAOYSA-N
-rxn:5:180422:225832:227093,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CC2CCCCC2)cc1-c1cccnc1C1CCCC1,MOHSJLBBAOGVCA-UHFFFAOYSA-N
-rxn:5:180422:226898:227449,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(CC2CCCCC2)cc1-c1ccc(C2CCOCC2)s1,OLIGZJGVEFYMJG-UHFFFAOYSA-N
-rxn:5:180602:225976:225784,COC(=O)C1Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3ccnc(N4CCOCC4)c3F)c2O1,DWZMPGVWRIZSLA-UHFFFAOYSA-N
-rxn:5:180613:223054:223062,COC(=O)c1cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccc(C(C)N4CCC(O)C4)s3)c2oc1=O,LRPCZJSRKAVBSX-UHFFFAOYSA-N
-rxn:5:180662:223062:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,RDYGMRGSGBFRMT-DHZHZOJOSA-N
-rxn:5:181630:225514:225832,Cc1nn(C2CCCCO2)c(C)c1-c1c(-c2cccc3c2OCC2(CC2)CO3)cccc1C1OCCO1,UYQJMUQLQREUKB-UHFFFAOYSA-N
-rxn:5:181907:222987:222957,Cc1cc(-c2c(-c3ccc(C4CCNCC4)nc3C)cc(C)cc2C2OCCO2)cc(C2CCCNC2)c1,HHQXUYDCVPFLEU-UHFFFAOYSA-N
-rxn:5:181908:225607:223146,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cccc(C3CNCCO3)c2)cc1C1OCCO1,WOXSGYNLQULWJI-UHFFFAOYSA-N
-rxn:5:181908:226686:225639,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cccnc2N2CCC(C)CC2)cc1C1OCCO1,NNUHTCUCRQGWPK-UHFFFAOYSA-N
-rxn:5:182009:225832:227684,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(CC3OCCO3)c2)cc1C1CCOCC1,NYPSQYXZUAQYJJ-UHFFFAOYSA-N
-rxn:5:182011:225514:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(C2CCOCC2)ccc1-c1cccc2c1OCC1(CC1)CO2,YJQSXWNLEQHIGT-UHFFFAOYSA-N
-rxn:5:182011:225683:222960,Cc1cc(-c2cc(C3CCOCC3)ccc2-c2ccc(C3CCCOC3)nc2C)cc(C2CCNCC2)c1,NVANDASORRUALZ-UHFFFAOYSA-N
-rxn:5:182012:225514:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(-c2cccc3c2OCC2(CC2)CO3)cc1C1CCCOC1,RULRGWZDWFYPCU-UHFFFAOYSA-N
-rxn:5:182012:225832:226179,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cncc(C3CCCCC3)c2)c(C2CCCOC2)c1,JOYUCKJDPIVTOQ-UHFFFAOYSA-N
-rxn:5:182012:226686:225633,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCCCCC3)nc2)c(C2CCCOC2)c1,XTKJBMMCGNBPFS-UHFFFAOYSA-N
-rxn:5:183229:225924:225820,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2c(C3CC3)cccc2C(F)(F)F)c2c(c1)C(C)(C)CCS2,RLZMBFKOFAMOQW-UHFFFAOYSA-N
-rxn:5:188460:226033:226053,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(F)c(OC(F)(F)F)c2F)cc1-c1cc(OC)c(F)c(C(F)(F)F)c1,MAALPNUKWFQAAP-UHFFFAOYSA-N
-rxn:5:188877:225653:223062,CON(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCCCC3C)nc2)c1,YVPTXHATVZOEET-UHFFFAOYSA-N
-rxn:5:188930:223148:223146,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccccc2C2CNCCO2)cc1-c1cccc(C2CNCCO2)c1,LWYTUXNCMJPLDI-UHFFFAOYSA-N
-rxn:5:189207:223131:228304,CC(C)Oc1ncc(-c2ccc(-c3ccc(N4CCNCC4)cc3)cc2C(=O)ON2C(=O)CCC2=O)cn1,SRAZLZKGRAORBL-UHFFFAOYSA-N
-rxn:5:189207:225465:228181,COCc1cc(F)ccc1-c1ccc(-c2cccc(C3CCN(C)CC3)c2)cc1C(=O)ON1C(=O)CCC1=O,ZJBTUQRATHYWOA-UHFFFAOYSA-N
-rxn:5:189211:226679:228677,CC(C)Cn1cc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cnc(N3CCCC3)cc2F)cn1,NDGSCPJJKMSZIH-UHFFFAOYSA-N
-rxn:5:189211:227512:227690,COC(=O)c1cc(-c2cccc(C(=O)ON3C(=O)CCC3=O)c2-c2ccc([N+](=O)[O-])cc2OC)c(C)cn1,QRULKOHVQURNHA-UHFFFAOYSA-N
-rxn:5:189212:225640:225465,CC1CCCCN1c1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(C3CCN(C)CC3)c2)ccn1,SKMWKBJRIPRNEU-UHFFFAOYSA-N
-rxn:5:189212:226679:228677,CC(C)Cn1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cnc(N3CCCC3)cc2F)cn1,VYZGZKXLOSWPPN-UHFFFAOYSA-N
-rxn:5:189212:228677:226664,CC(C)Cn1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(N3CCCC3)ncc2F)cn1,JPKCRXDXGJEHLX-UHFFFAOYSA-N
-rxn:5:189212:228677:226679,CC(C)Cn1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cnc(N3CCCC3)cc2F)cn1,UFDZKMJZUQPWOV-UHFFFAOYSA-N
-rxn:5:189449:226342:226782,COC(=O)c1cc(F)c(-c2ccc(-c3cc(C)c(C(=O)OC)c(C)c3)c(C(=O)N3CC(OC)C3)c2)cc1F,QTTWLXBKANDUNJ-UHFFFAOYSA-N
-rxn:5:189449:226772:226764,COC(=O)c1cc(F)c(-c2ccc(-c3ccc(F)c(C(=O)OC)c3F)cc2C(=O)N2CC(OC)C2)c(F)c1,YMTXEQMPORKGPB-UHFFFAOYSA-N
-rxn:5:189664:225437:227045,CC(C)(C)Sc1cccc(-c2cc(-c3cccc(CN4CCCCC4)c3)ccc2CC(=O)N2CCCC2)c1,DLHWPGKZJDURRO-UHFFFAOYSA-N
-rxn:5:189666:227525:225507,CCc1cnc(C(F)F)cc1-c1cc(/C=N/[S@](=O)C(C)(C)C)ccc1-c1ccc2c(c1)CCC2C(=O)OC,UWOGJOZTYXSYTM-CARVLMRVSA-N
-rxn:5:189667:225407:227120,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2ccc(C3CCC3)cc2F)c1,BPDWNOZQMLRXAY-WKCCFCLWSA-N
-rxn:5:189667:225498:227124,CC(C)(C)c1ccc(-c2cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c3cc(C4CCCCC4)ccc3F)c2)c(F)c1,TZRFGMHMWGFPPZ-PJIRCUHNSA-N
-rxn:5:189667:226064:226191,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3CCCCC3)cc2)cc(-c2cc(C3CCCC3)ccc2F)c1,QQRMDAOPPMCGEY-WKCCFCLWSA-N
-rxn:5:189670:225507:227312,CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)cc2/C=N/S(=O)C(C)(C)C)c(F)n1,CVSLRPZRGZOQCZ-DPNNOFEESA-N
-rxn:5:189676:227052:225437,CC(C)(C)Sc1ccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2cccc(CN3CCCCC3)c2)cc1,SQDHLAWLCZLYOT-UHFFFAOYSA-N
-rxn:5:189952:226664:225976,COc1c(-c2cc(N3CCCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,PRAVJABWTSFDTC-UHFFFAOYSA-N
-rxn:5:189952:227316:223006,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1ccc(F)c(C2CCNCC2)c1,WLNABDCJAMKKMO-UHFFFAOYSA-N
-rxn:5:190127:225453:228128,COc1ccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2C(=O)N2CCC(OC)CC2)cc1C#N,PDMBDDVDVOAAEU-UHFFFAOYSA-N
-rxn:5:190127:225594:226179,COC1CCN(C(=O)c2cc(-c3ccc(F)cc3CN3CCCC3)ccc2-c2cncc(C3CCCCC3)c2)CC1,NADJNRAEWQBLRK-UHFFFAOYSA-N
-rxn:5:190127:226767:226767,COc1ccc(C(F)(F)F)c(-c2ccc(-c3cc(OC)ccc3C(F)(F)F)c(C(=O)N3CCC(OC)CC3)c2)c1,CHOJOXDEKTXELR-UHFFFAOYSA-N
-rxn:5:190127:226907:227587,COc1cc(-c2ccc(-c3cccc4c3CCC43CC3)cc2C(=O)N2CCC(OC)CC2)cc(F)c1OC,PWVMQTJNTSLRDQ-UHFFFAOYSA-N
-rxn:5:190128:228408:226732,COc1cc(F)c(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(C#N)c(C(F)(F)F)c2)cc1F,KUODOWLINQJUDT-UHFFFAOYSA-N
-rxn:5:190131:226147:228137,CCOc1ncc(-c2cc(C(=O)N3CCCCC3)cc(-c3c(C)cc(OC(C)C)cc3C)c2OC)cc1C,PLGDENNKEJKJLF-UHFFFAOYSA-N
-rxn:5:190194:227710:226654,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2csc(N3CCC(C)CC3)n2)CC1,JXKJQDADQFYSSV-UHFFFAOYSA-N
-rxn:5:190194:227710:226794,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2cnc(N3CCSCC3)nc2)CC1,JGPLICHPITXSIK-UHFFFAOYSA-N
-rxn:5:190195:223113:223065,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccc(N3CCNCC3)cc2F)c1)C1CCOCC1,FMDUPHAYYKIYLR-UHFFFAOYSA-N
-rxn:5:190196:223113:226364,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1ccc(N2CCCCC2)nc1)C1CCOCC1,XSGQMFNWYGEZMT-UHFFFAOYSA-N
-rxn:5:190196:223294:227710,CN(Cc1ccc(-c2csc(N3CCNCC3)n2)cc1-c1ccc(OS(C)(=O)=O)cc1)C1CCOCC1,KBLXBHGZGJDKSN-UHFFFAOYSA-N
-rxn:5:190197:223294:227710,CN(Cc1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1-c1csc(N2CCNCC2)n1)C1CCOCC1,IURCLXFLJDSEFI-UHFFFAOYSA-N
-rxn:5:190197:225980:227376,CN(Cc1ccc(-c2cncc(N3CCCC3)c2)cc1-c1cc(N2CCOCC2)ncc1F)C1CCOCC1,OSYVDENOTNCBNW-UHFFFAOYSA-N
-rxn:5:190199:222417:226583,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(CN3CCOCC3)s2)cc1CN(C)C1CCOCC1,XWYXUNJZUFCVPB-UHFFFAOYSA-N
-rxn:5:190199:223294:227710,CN(Cc1cc(-c2ccc(OS(C)(=O)=O)cc2)ccc1-c1csc(N2CCNCC2)n1)C1CCOCC1,XWPPAFHLVMETHC-UHFFFAOYSA-N
-rxn:5:190199:225978:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(N2CCOCC2)nc1F)C1CCOCC1,MXYQNWGCFFPYMM-UHFFFAOYSA-N
-rxn:5:190199:227710:223294,CN(Cc1cc(-c2csc(N3CCNCC3)n2)ccc1-c1ccc(OS(C)(=O)=O)cc1)C1CCOCC1,HWCBZYUNNDUOSA-UHFFFAOYSA-N
-rxn:5:190201:225978:223113,CC1CN(CCc2cc(-c3ccc(N4CCOCC4)nc3F)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,QPMYFZNBCSKWIC-UHFFFAOYSA-N
-rxn:5:190231:226468:226158,COc1c(-c2ccccc2N2CCCCC2)cc(C(=O)N2CCOC(C)C2)cc1-c1cccc2c1OCC(=O)N2C,QZJRNSLVLMSKGL-UHFFFAOYSA-N
-rxn:5:190264:225601:225886,CC1CCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3ccc(C4(C#N)CCC4)cc3F)c2)CC1,XVMQRZPYWBRUKF-UHFFFAOYSA-N
-rxn:5:190264:227592:227052,COc1cc(F)cc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2ccc(SC(C)(C)C)cc2)c1OC,OYGPHMCLLJGDJS-UHFFFAOYSA-N
-rxn:5:190265:227387:227313,CCC(C)c1cc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccnc(N3CCCC3)c2)c(F)cn1,YAWZIYBMBNUDLU-UHFFFAOYSA-N
-rxn:5:190336:227438:228486,COc1c(-c2cc(F)cc([N+](=O)[O-])c2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccnc(C2CCOC2)c1,XOOFTPKKCOCMEF-UHFFFAOYSA-N
-rxn:5:190336:227821:226131,CCc1c(C)cc(C)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2ccccc2CN2CCCC2)c1OC,MELUBFWJWNSVLS-UHFFFAOYSA-N
-rxn:5:190484:223135:227506,O=C(c1cccc(-c2cccnc2C2CCCNC2)c1)N1CCC(c2ccccc2-c2cccc(/C=C/[N+](=O)[O-])c2)S(=O)(=O)CC1,TZFAUAWNVPKJCM-HMMYKYKNSA-N
-rxn:5:190484:223135:227507,O=C(c1cccc(-c2cccnc2C2CCCNC2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,TZFAUAWNVPKJCM-UHFFFAOYSA-N
-rxn:5:190484:223139:225871,O=C(c1cccc(-c2ccc(C3CCNCC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(N3C(=O)C=CC3=O)c2)S(=O)(=O)CC1,ANECLDGJGMSPPU-UHFFFAOYSA-N
-rxn:5:190484:223200:226330,CC(c1ccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc(C5CCNC5)cc4)c3)CCS2(=O)=O)s1)N1CCCC1,FOWBUBAULIYYDZ-UHFFFAOYSA-N
-rxn:5:190484:223384:223240,CNC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCNC5)nc4)S(=O)(=O)CC3)c2)cn1,WUUKNBGITAWRBI-UHFFFAOYSA-N
-rxn:5:190484:227449:223312,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc(C3CNC3)cc2)S(=O)(=O)CC1,PMFRYABPRUVBLE-UHFFFAOYSA-N
-rxn:5:190484:227501:223140,O=C(c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCCNC3)c2)S(=O)(=O)CC1,VEUFLWAPBBQIEQ-UHFFFAOYSA-N
-rxn:5:190484:227505:223140,O=C(c1cccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCCNC3)c2)S(=O)(=O)CC1,VEUFLWAPBBQIEQ-HMMYKYKNSA-N
-rxn:5:190484:227820:227408,CC(C)(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CCC5)ncc4F)S(=O)(=O)CC3)c2)cc1,MVXSADAMNAWNKX-UHFFFAOYSA-N
-rxn:5:190680:226033:226741,COc1cc(-c2ccc3c(c(OC(C)=O)cn3C(C)=O)c2-c2cc(C(F)(F)F)ccc2C#N)cc(C(F)(F)F)c1F,NGBALFCVCOXZCW-UHFFFAOYSA-N
-rxn:5:190740:223056:223007,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1cc(F)cc(C2CCNCC2)c1,PMWDUHSTNKNDPC-UHFFFAOYSA-N
-rxn:5:190740:223061:225633,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(N2CCCCCC2)nc1,ZHYCJDMDFQOXFM-UHFFFAOYSA-N
-rxn:5:190740:225834:223064,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1ccc(C2CCNCC2)nc1F,JGYOBCWILAWUMR-UHFFFAOYSA-N
-rxn:5:190741:223064:225982,CCOC(=O)c1cnc2c(-c3ccc(C4CCNCC4)nc3F)cc(C)cc2c1-c1cnc(N2CCOCC2)cc1F,BBHLIGZQLXYIGT-UHFFFAOYSA-N
-rxn:5:190741:225982:223056,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)cc(C)cc2c1-c1ccc(N2CCC(O)CC2)nc1,BWJKSWKUEXNYOM-UHFFFAOYSA-N
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-rxn:5:190742:225976:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(N2CCOCC2)nc1F,FJKKVDONTWXTES-UHFFFAOYSA-N
-rxn:5:190743:223064:223061,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,UJOSUZVPGFPHQK-UHFFFAOYSA-N
-rxn:5:190743:225655:223056,CCOC(=O)c1cnc2c(C)c(-c3cncc(N4CCC(C)CC4)c3)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,MZRXZBIPMFBZOH-UHFFFAOYSA-N
-rxn:5:190743:225976:226662,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(N2CCN(C)CC2)s1,UDMDEVBVIBNTNL-UHFFFAOYSA-N
-rxn:5:190744:223062:225655,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1cncc(N2CCC(C)CC2)c1,VCGWEJLXUSNPLB-UHFFFAOYSA-N
-rxn:5:190744:225784:225849,CCOC(=O)c1cnc2c(-c3ccc(CN4CCOCC4)nc3)c(C)ccc2c1-c1cnc(N2CCCCC2)cc1F,JABAGRIKYZEFGW-UHFFFAOYSA-N
-rxn:5:190744:225834:225784,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1ccc(CN2CCOCC2)nc1,UJKJJKSHJOBHFP-UHFFFAOYSA-N
-rxn:5:190744:225976:225976,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,DSHGMNIXGYVGTO-UHFFFAOYSA-N
-rxn:5:190797:225450:226069,CC(C)(C)OC(=O)n1ccc2c(-c3cccc(C4CCCCC4)c3)cc(-c3ccc(C(=O)C4CCCC4)cc3)cc21,CMKBVNCZZYUOQH-UHFFFAOYSA-N
-rxn:5:190799:226761:225925,CSc1ccc(-c2c(-c3cc(S(=O)(=O)N(C)C)ccc3C)ccc3c2ccn3C(=O)OC(C)(C)C)c(C(F)(F)F)c1,DSFUKZXIZDRNLU-UHFFFAOYSA-N
-rxn:5:190832:226371:225833,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCCC4)cc3C)c(C)c2c1-c1ccnc(N2CCCCC2)c1F,AAEDDAKDFZOKET-UHFFFAOYSA-N
-rxn:5:190859:222993:226748,COc1cc(C(F)(F)F)ccc1-c1c(-c2cccc(N3CCCCC3O)c2)ccc2c1CCN2C(=O)OC(C)(C)C,YKDNQOKTZJUMPP-UHFFFAOYSA-N
-rxn:5:190859:226150:228182,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CCCC3)c1)c2-c1cccc(CC(F)F)c1,KVMODCWLHCIIAZ-UHFFFAOYSA-N
-rxn:5:190859:227825:226150,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(C3CCC3)c1)c2-c1cccc(SC2CCCC2)c1,ATRRBIGGYMPIPW-UHFFFAOYSA-N
-rxn:5:190998:225661:228110,CCc1cnc(C#N)cc1-c1ccc(N2Cc3cc(-c4ccc(N5CCOCC5)cc4C)ccc3OCC2=O)c(C(=O)OC)c1,WYEDTYGEEPODNR-UHFFFAOYSA-N
-rxn:5:190998:226900:226738,COC(=O)c1cc(-c2ccc(C(C)=O)cc2[N+](=O)[O-])ccc1N1Cc2cc(-c3ccc(S(F)(F)(F)(F)F)cc3)ccc2OCC1=O,YUVKTOHBDPMSLX-UHFFFAOYSA-N
-rxn:5:191026:226910:227079,CCC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(CC(C)C)ccc4F)c2)C=C(C(=O)OC)S3(=O)=O)cc1,CVRKPLNNFOUIMD-UHFFFAOYSA-N
-rxn:5:191026:227076:228447,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cccc(C(F)F)c4F)c2)C=C(C(=O)OC)S3(=O)=O)c1,FQCSODQKPUIUOL-UHFFFAOYSA-N
-rxn:5:191026:228178:226914,COCc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(CC(C)C)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,FBLAWNNLXIBONN-UHFFFAOYSA-N
-rxn:5:191026:228279:227409,CCc1cc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(C)(C)C)ncc4F)c2)C=C(C(=O)OC)S3(=O)=O)c(F)c1,UEFHDSZMNPLXGY-UHFFFAOYSA-N
-rxn:5:191049:226395:226366,COc1cc(N2Cc3cc(-c4cncc(N5CCCCC5)c4)ccc3OCC2=O)c(OC)cc1-c1ccnc(N2CCCCC2)c1,BDMFOXHSXGUXCW-UHFFFAOYSA-N
-rxn:5:191049:226794:225849,COc1cc(N2Cc3cc(-c4cnc(N5CCSCC5)nc4)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCCCC2)cc1F,UZXWSRIBAZJWEQ-UHFFFAOYSA-N
-rxn:5:192235:223139:225607,COc1cc(-c2ccc(C3CCNCC3)nc2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1S(N)(=O)=O,VDEOWEUXWMDNCW-UHFFFAOYSA-N
-rxn:5:192236:225808:225794,COc1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)cc1-c1cc(OC2CCCC2)ncc1F,RBCBSQNOWBYYBA-UHFFFAOYSA-N
-rxn:5:192562:226044:225933,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(C2(C#N)CCC2)cc1-c1cc(C2CC2)nc(C(F)(F)F)c1,BIULMFFWVFXKAW-UHFFFAOYSA-N
-rxn:5:193052:222956:225438,Cc1ccc(-c2ccc(C(=O)N3CCCC3)c(-c3ccc(C(C)N4CCCC4)cc3)c2)c(C2CCCNC2)c1,HCDNPGPDOUQILL-UHFFFAOYSA-N
-rxn:5:193226:225655:225978,CC1CCN(c2cncc(-c3ccc(C(=O)N4CCOCC4)cc3-c3ccc(N4CCOCC4)nc3F)c2)CC1,GVVUPSLTPYUYCU-UHFFFAOYSA-N
-rxn:5:193226:225849:226366,O=C(c1ccc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccnc(N3CCCCC3)c2)c1)N1CCOCC1,KLXVFXLWXHQMEV-UHFFFAOYSA-N
-rxn:5:193227:225978:225655,CC1CCN(c2cncc(-c3cc(C(=O)N4CCOCC4)cc(-c4ccc(N5CCOCC5)nc4F)c3)c2)CC1,BIEUXBKSPYKAQA-UHFFFAOYSA-N
-rxn:5:193230:223062:225784,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(CN2CCOCC2)nc1)N1CCOCC1,DUIYARQAYKCREO-UHFFFAOYSA-N
-rxn:5:193231:227656:225622,O=C(c1ccc(-c2cc(N3CCOCC3)cs2)cc1-c1ccccc1OC1CCCCO1)N1CCSCC1,LVQYEKUPLFRKGQ-UHFFFAOYSA-N
-rxn:5:193331:225448:225641,Cc1ccc(OC2CCCC2)c(-c2ccc(CN3CCOCC3)c(-c3ccnc(N4CCCC(C)C4)c3)c2)c1,SLJPIFVEJHOQMW-UHFFFAOYSA-N
-rxn:5:193382:222959:228016,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(C4CCCC4)cs3)c2)ccc1C1CCNCC1,UDECYONRNXLYBH-UHFFFAOYSA-N
-rxn:5:193382:223189:227449,CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CCOCC4)s3)c2)c(F)c1,JRTNKUJXJCKYJR-UHFFFAOYSA-N
-rxn:5:193382:223287:226665,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cnc(C4CCCOC4)nc3)c2)cc1,KLWZJGYATDRATG-UHFFFAOYSA-N
-rxn:5:193382:223294:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2csc(N3CCNCC3)n2)ccc1S(=O)(=O)N1CCOCC1,WMLJDJTUOMRHAT-UHFFFAOYSA-N
-rxn:5:193382:225805:223294,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3csc(N4CCNCC4)n3)c2)s1)N1CCOCC1,TXYWHOSBYHQMJA-UHFFFAOYSA-N
-rxn:5:193382:226661:223294,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4csc(N5CCNCC5)n4)c3)c2)CC1,UVGYWJWGHPPYKN-UHFFFAOYSA-N
-rxn:5:193382:226661:227438,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccnc(C5CCOC5)c4)c3)c2)CC1,QEHIZUOLIJOXAT-UHFFFAOYSA-N
-rxn:5:193382:227449:222958,Cc1ccc(-c2cc(-c3ccc(C4CCOCC4)s3)ccc2S(=O)(=O)N2CCOCC2)cc1C1CCNCC1,HRXYEMVTLOOHNK-UHFFFAOYSA-N
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-rxn:5:193382:227449:227432,Cc1nc(C2COC2)ccc1-c1cc(-c2ccc(C3CCOCC3)s2)ccc1S(=O)(=O)N1CCOCC1,ILVAQYQZTNPWKP-UHFFFAOYSA-N
-rxn:5:193382:227684:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3cnn(CC4OCCO4)c3)ccc2S(=O)(=O)N2CCOCC2)c1,AQEYQXCZFVBIOI-UHFFFAOYSA-N
-rxn:5:193382:227755:226211,CC(=O)N1CCc2cc(-c3cc(-c4cc(C(F)(F)F)ccc4F)ccc3S(=O)(=O)N3CCOCC3)ccc21,MSOIZRJRUIZKMR-UHFFFAOYSA-N
-rxn:5:193461:227019:225451,CC(C)(C#N)c1cccc(-c2ccc(C(=O)N3CCCCC3)c(-c3ccc(SC4CCCCC4)cc3)c2)c1,QMZRYZQBNVTWKP-UHFFFAOYSA-N
-rxn:5:193506:222959:227656,Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCOCC4)cs3)c2)ccc1C1CCNCC1,DWKITARSLNYGMT-UHFFFAOYSA-N
-rxn:5:193506:223135:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2cccnc2C2CCCNC2)ccc1S(=O)(=O)N1CCC(=O)CC1,JYJGLGCHGHTEOH-UHFFFAOYSA-N
-rxn:5:193506:223146:225805,CC(c1ccc(-c2cc(-c3cccc(C4CNCCO4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,XGFJXSCSUITVMM-UHFFFAOYSA-N
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-rxn:5:193506:227279:223294,CC(C)n1nc(C2CC2)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2csc(N3CCNCC3)n2)c1,FGGFDNKWSMRHTF-UHFFFAOYSA-N
-rxn:5:193506:227279:228201,CC(C)n1nc(C2CC2)cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnc(C3CCC3)nc2)c1,JDCTYNRNONQIME-UHFFFAOYSA-N
-rxn:5:193506:227501:223142,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C=C[N+](=O)[O-])cc3)cc2-c2ccc(C3CCCNC3)nc2)CC1,NYTRBBSDPFHQKS-UHFFFAOYSA-N
-rxn:5:193506:228103:223138,CC(C)Cc1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCNCC4)c3)c2)cn1,XECBEPPQRUHOAE-UHFFFAOYSA-N
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-rxn:5:193538:225797:225938,CC(C)(C)c1ccc(-c2cc(CN3CCCCC3)ccc2-c2cc(C(F)(F)F)ncc2C2CC2)cc1[N+](=O)[O-],RHCJKHPFIIQLQS-UHFFFAOYSA-N
-rxn:5:193541:226686:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCCCC2)cc(-c2c(C)cnn2C2CCCCO2)c1,AWUBJUNBRNEYLV-UHFFFAOYSA-N
-rxn:5:193681:223201:225498,CN1CCC(Oc2cc(-c3ccccc3C3CCNC3)ccc2-c2cc(C3CCCCC3)ccc2F)CC1,TUABLGUSNNXGCB-UHFFFAOYSA-N
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-rxn:5:193871:222405:225653,CC1CCCCN1c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cccc(C3NC(=O)NC3=O)c2)cn1,OKDPXKNMTWTQMR-UHFFFAOYSA-N
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-rxn:5:193871:225640:225600,CC1CCCCN1c1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cccnc2OC2CCCCC2)ccn1,PUJMOLYWXSQWPR-UHFFFAOYSA-N
-rxn:5:193871:225880:225595,O=C(c1ccc(-c2ccc(F)c(CN3CCCC3)c2)c(-c2cc(C3CCOCC3)ncc2F)c1)N1CCC2(CC1)CC2,JEAFOUQDGYMQPN-UHFFFAOYSA-N
-rxn:5:193871:226129:226332,O=C(c1ccc(-c2ccccc2C(=O)N2CCC2)c(-c2cccc(CN3CCCC3)c2)c1)N1CCC2(CC1)CC2,ZTAHBTOTXUBJTI-UHFFFAOYSA-N
-rxn:5:193871:226645:226333,O=C(c1cccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2ccnc(N3CCOCC3)c2)c1)N1CCC1,ZUFDNGDJLPZHIR-UHFFFAOYSA-N
-rxn:5:193871:226649:227458,CN1CCOc2cc(-c3ccc(C(=O)N4CCC5(CC4)CC5)cc3-c3cccnc3N3CCOCC3)cnc21,UHITZZYNCHCRPI-UHFFFAOYSA-N
-rxn:5:193871:227187:226333,CN1Cc2c(cccc2-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cccc(C(=O)N3CCC3)c2)C1=O,CXGYFQYTMJQNSF-UHFFFAOYSA-N
-rxn:5:193871:227525:225804,CCc1cnc(C(F)F)cc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1ccc(C(=O)N2CCC2)c(F)c1,JYNSDHSOBUMMJC-UHFFFAOYSA-N
-rxn:5:193872:227490:227317,CC(C)(C)Oc1cc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2cnc(OC(C)(C)C)nc2)ccn1,GXXIVLHNEAAISD-UHFFFAOYSA-N
-rxn:5:193912:226590:227209,CC1(C)Oc2ccc(-c3ccc(C4C(=O)N(c5ccc(-c6ccc(OC7CCOC7)nc6)cc5)C(=O)CS4=O)cc3)cc2O1,UIZJWOUHNPKAKS-UHFFFAOYSA-N
-rxn:5:193968:228333:228343,COC(=O)c1sc(-c2ccc(-c3c(SC)ccnc3OC)cc2CN2CCC3(CC2)OCCO3)cc1C,WWCAVERFTVHEJN-UHFFFAOYSA-N
-rxn:5:193972:226325:227932,COCc1ccc(C)c(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C(C)(C)C#N)cc3F)cc2C)c1,YYNWLODOPOZGBC-UHFFFAOYSA-N
-rxn:5:193972:226350:227996,COC(=O)c1c(C)ccc(-c2cc(C)c(-c3ccc(C(C)=O)cc3C)cc2S(=O)(=O)N2CCCCCC2)c1C,STHDLCRVWDRORO-UHFFFAOYSA-N
-rxn:5:193972:227561:228401,COc1cc(F)c(-c2cc(C)c(-c3c(F)ccc(F)c3OC)cc2S(=O)(=O)N2CCCCCC2)cc1OC,PQGVRLUKDDZHRL-UHFFFAOYSA-N
-rxn:5:193972:227808:227029,Cc1cc(-c2ccc3c(c2)CCCC3)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1C(C)(C)C#N,FMGSYRXHCQYZNM-UHFFFAOYSA-N
-rxn:5:193972:227940:227591,CCc1cc(SC)cc(-c2cc(C)c(-c3ccc(C(F)F)cc3OC)cc2S(=O)(=O)N2CCCCCC2)c1,KJPGPYUZPNBJAP-UHFFFAOYSA-N
-rxn:5:193972:227942:227524,CCc1ccc(-c2cc(C)c(-c3cc(OC)c(C#N)cc3F)cc2S(=O)(=O)N2CCCCCC2)c(OC)c1,FLLPKBVVTIKRLE-UHFFFAOYSA-N
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-rxn:5:194058:222980:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(CN3CCNCC3)cc2)s1)N1CCOCC1,BODWCMXOFXJUGC-UHFFFAOYSA-M
-rxn:5:194058:223054:225802,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(OC3CCCC3)nc2F)s1)N1CCC(O)C1,LPDHWUFBOCPAJY-UHFFFAOYSA-M
-rxn:5:194058:223054:225803,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccnc(OC3CCOCC3)c2)s1)N1CCC(O)C1,SFXAVSGOQLYQAQ-UHFFFAOYSA-M
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-rxn:5:194058:223054:225849,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(N3CCCCC3)cc2F)s1)N1CCC(O)C1,HRRQVDISQPQRRD-UHFFFAOYSA-M
-rxn:5:194058:223054:225978,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(N3CCOCC3)nc2F)s1)N1CCC(O)C1,XOLJZLBVCYDZDH-UHFFFAOYSA-M
-rxn:5:194058:223054:226583,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(CN3CCOCC3)s2)s1)N1CCC(O)C1,BLOWVHHQWSHBSA-UHFFFAOYSA-M
-rxn:5:194058:223061:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(C3CCNCC3)ncc2F)s1)N1CCOCC1,FSTYNOYYHGFSTO-UHFFFAOYSA-M
-rxn:5:194058:225805:225982,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cnc(N3CCOCC3)cc2F)s1)N1CCOCC1,GFXFPBAQTCOHPW-UHFFFAOYSA-M
-rxn:5:194058:225832:225805,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C(C)N2CCOCC2)s1,OSENJSKVAFIDOE-UHFFFAOYSA-M
-rxn:5:194058:225834:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cc(N3CCCCC3)ncc2F)s1)N1CCC(O)C1,ODCUPHSINMELQY-UHFFFAOYSA-M
-rxn:5:194058:225849:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(N3CCCCC3)cc2F)s1)N1CCC(O)C1,KKRSGZRKXLTYQE-UHFFFAOYSA-M
-rxn:5:194058:225978:223054,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccc(N3CCOCC3)nc2F)s1)N1CCC(O)C1,DOADXLOJITXWKT-UHFFFAOYSA-M
-rxn:5:194397:226321:226734,CN(C)S(=O)(=O)c1cccc(-c2ccc(C(=O)N3CC4CC4C3)c(-c3ccc(SC4CCCC4)nc3)c2)c1,ODCFITXWOGTNSE-UHFFFAOYSA-N
-rxn:5:194575:223294:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(s1)CCN(S(=O)(=O)c1ccccc1-c1csc(N3CCNCC3)n1)C2,LYIXELURQMMLHY-UHFFFAOYSA-N
-rxn:5:194575:225818:226148,C[Si](C)(C)C#Cc1cccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2C2CC2)C3)c1,GTUZZACSDPHKJN-UHFFFAOYSA-N
-rxn:5:194661:227413:223054,CC(c1ccc(-c2ccc3c(c2)CN(Cc2ccc(-c4cnc(C5CCC5)cc4F)cc2)C(=O)CO3)s1)N1CCC(O)C1,RSMSWWUDEZOPBP-UHFFFAOYSA-N
-rxn:5:194733:228214:227284,N#Cc1cc(-c2ccc(-c3cnc(C4CC4)cc3F)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)c(C2CC2)cn1,AWFUYSNTCBYTBD-UHFFFAOYSA-N
-rxn:5:194767:223061:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,PHFPSOVWEIADER-UHFFFAOYSA-N
-rxn:5:194767:225982:223141,O=C1OC2(CCCN(C(=O)c3cc(-c4cnc(N5CCOCC5)cc4F)ccc3-c3cncc(C4CCNCC4)c3)C2)c2ccccc21,GCUYMSZWWWMSAM-UHFFFAOYSA-N
-rxn:5:194767:226429:228221,CC1CCCN(c2ccc(-c3ccc(-c4cc(F)nc(C5CC5)c4)c(C(=O)N4CCCC5(C4)OC(=O)c4ccccc45)c3)s2)C1,BPSZCYZUURIMIR-UHFFFAOYSA-N
-rxn:5:194782:227023:227095,CC(c1ccc(-c2ccc(-c3ccc(C4CC(=O)C4)cc3)c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)cc1)N(C)C,ZIVOSEORWNEJHZ-UHFFFAOYSA-N
-rxn:5:194791:225854:227371,COc1c(C)ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5cn(-c6ccccc6F)nc5C)C(=O)C34)cc2)c1OC,RATUJEAPPYQPSE-UHFFFAOYSA-N
-rxn:5:194791:227374:226840,N#Cc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5ccc(-n6cccn6)cc5)C(=O)C34)cc2)cc(C(F)(F)F)n1,GHZXHJGCUDTIKH-UHFFFAOYSA-N
-rxn:5:194791:227824:227942,CCc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5ccc(C6CCC6)cc5)C(=O)C34)cc2)c(OC)c1,NOYYLRXZJKUBBB-UHFFFAOYSA-N
-rxn:5:194792:227573:227376,CCOc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6cncc(N7CCCC7)c6)cc5)C(=O)C34)cc2)cc(F)c1F,FVZOYYFZIANIOS-UHFFFAOYSA-N
-rxn:5:194792:228728:225943,COc1ncc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccc(C(=O)N7CCOCC7)s6)cc5)C(=O)C34)cc2)cc1C,XPDROJLYCBKHND-UHFFFAOYSA-N
-rxn:5:196408:226382:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2cnc(C3CCCCC3)nc2)c1,CJZREYQZGYBPLW-UHFFFAOYSA-N
-rxn:5:196789:225834:225980,O=C1COCCN1c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cc(N2CCOCC2)ncc1F,GMYJQNGJQRHOPP-UHFFFAOYSA-N
-rxn:5:196789:227612:225617,O=C1COCCN1c1ccc(-c2cnn(C3CCCCO3)c2)cc1-c1ccc(OC2CCCCO2)cc1,WLSNVEBDNAHPTC-UHFFFAOYSA-N
-rxn:5:196791:225982:225976,O=C1COCCN1c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1ccnc(N2CCOCC2)c1F,IVFNWTWORMSKCE-UHFFFAOYSA-N
-rxn:5:196969:225832:223137,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1cncc(C2CCCNC2)c1,ZGCJRWGTTZNDHI-UHFFFAOYSA-N
-rxn:5:196971:225436:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(CN3CCCCC3)cc2)ncc1C1CCCCC1,XPJILKUKNVPKNG-UHFFFAOYSA-N
-rxn:5:197876:223192:227124,CNS(=O)(=O)c1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)ccc1F,KPKGHLMWEVNPDP-UHFFFAOYSA-N
-rxn:5:197876:225455:227818,CCC(C)c1cccc(-c2cc3c(cc2-c2cc(N4CCCCC4)ccc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PLWLFUAJHFDRCX-UHFFFAOYSA-N
-rxn:5:197876:225498:228108,CCc1ncc(C#N)cc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YDGJYKCIRNBVAR-UHFFFAOYSA-N
-rxn:5:197876:225498:228241,CC(=O)c1cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,MNETWCYSNOPFGQ-UHFFFAOYSA-N
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-rxn:5:197876:226432:227023,CC(c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N(C)C,NGMSKNKBCDESHY-UHFFFAOYSA-N
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-rxn:5:197876:226762:227715,CSc1cc(-c2cc3c(cc2-c2cc(F)cc(OC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,DGJPLUSXIBBMNX-UHFFFAOYSA-N
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-rxn:5:197876:226849:226910,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccnc(OC)c2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,LOUIIKSXXJFHEK-UHFFFAOYSA-N
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-rxn:5:197876:226912:226907,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cccc4c2CCC42CC2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SQHPFQPCZFYCAP-UHFFFAOYSA-N
-rxn:5:197876:226913:226916,CCc1cc(-c2cc3c(cc2-c2cccc(C4=CCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,LRDGTHQIWVHMJW-UHFFFAOYSA-N
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-rxn:5:197876:227079:227113,Cc1cc(F)c(C2CC2)cc1-c1cc2c(cc1-c1cc(CC(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ITWGCFBXUZLUFX-UHFFFAOYSA-N
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-rxn:5:197876:227102:225446,Cc1cc(OC2CCCC2)cc(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BZWKEZHVWVJZSS-UHFFFAOYSA-N
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-rxn:5:197876:227298:227052,CN(C)Cc1ccc(F)cc1-c1cc2c(cc1-c1ccc(SC(C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,QYLZQKMGNVLEQD-UHFFFAOYSA-N
-rxn:5:197876:227303:227311,CCC(C)c1cc(F)c(-c2cc3c(cc2-c2cccc(CN(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,NLKJRRHTASTSJR-UHFFFAOYSA-N
-rxn:5:197876:227314:227544,COC(=O)c1ccc(F)cc1-c1cc2c(cc1-c1ccc(CC(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,JURMIMVJKBDJBK-UHFFFAOYSA-N
-rxn:5:197876:227315:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2cnc(CC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,AXCHNHBFWBOJAP-UHFFFAOYSA-N
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-rxn:5:197876:227402:227718,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(OC(F)F)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(F)n1,LKMKTJQOUBSYRW-UHFFFAOYSA-N
-rxn:5:197876:227408:227558,Cc1cc(OC(F)F)ccc1-c1cc2c(cc1-c1cc(C3CCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,NJAMOJLGYMVOSJ-UHFFFAOYSA-N
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-rxn:5:197876:227415:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,UMZNTNDZAZLRMQ-UHFFFAOYSA-N
-rxn:5:197876:227415:227659,Cc1c(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cccc1C(F)(F)F,KNRIDVRYRHLKCX-UHFFFAOYSA-N
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-rxn:5:197876:227589:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(C)cc(OC(F)F)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,OHZYAQBOWGACAC-UHFFFAOYSA-N
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-rxn:4:183273:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,FJETYOOAXLJYHK-UHFFFAOYSA-N
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-rxn:4:183481:223523,CCOC(=O)C(=O)Cc1c(-c2ccc(S(=O)(=O)N3CCN(CC)CC3)c3ccccc23)cccc1[N+](=O)[O-],LEQYDNNJRFEWDY-UHFFFAOYSA-N
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-rxn:4:183873:222834,CCC(CC)NC(=O)c1ccc(-c2cc(OCCN3CCCCC3)cc(C(=O)OC)c2)cc1,MKADDLRBKBNCDU-UHFFFAOYSA-N
-rxn:4:183884:225752,COC(=O)c1cnc(C(C)C)c(-c2cccc(F)c2OCC2CN(C(=O)OC(C)(C)C)C2)c1,HVMDWTZHBDGSIT-UHFFFAOYSA-N
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-rxn:4:183908:224655,CCCCN(C(=O)c1cccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2F)c1)C1CCS(=O)(=O)C1,ABPFQUUPFUHWMR-UHFFFAOYSA-N
-rxn:4:183958:225376,CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cc(F)c(F)c(OCC(F)(F)F)c3)cc2)C1,XRSAYIRVWGFTIP-UHFFFAOYSA-N
-rxn:4:183961:226844,CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(-c2ccnc(C(=O)C(F)(F)F)c2)cc1,DZUJHYHHQKOLQD-KRWDZBQOSA-N
-rxn:4:183983:224325,Cc1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1CN(C(=O)OC(C)(C)C)C(C)C,AVTSKOURUCYBJK-UHFFFAOYSA-N
-rxn:4:183984:224156,Cc1cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)ccc1CN(C(=O)OC(C)(C)C)C(C)C,YISWQAAYAKJLHA-UHFFFAOYSA-N
-rxn:4:183997:226106,Cc1cc(OCC(C)C)cc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CCCC2)c1,KBWSLJFWRMLQJA-UHFFFAOYSA-N
-rxn:4:184001:228798,COC(=O)C1(c2ccc(-c3ccc(F)c(SC)c3)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,AEKAMINLINDRNZ-UHFFFAOYSA-N
-rxn:4:184001:228810,COC(=O)C1(c2ccc(-c3cccc(Cl)c3SC)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,PKMFHMYPVNTMPD-UHFFFAOYSA-N
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-rxn:4:184024:227243,CC(=O)OCc1cccc(-c2cc(Cl)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,XBDZFURSTYBNQC-UHFFFAOYSA-N
-rxn:4:184033:224697,COc1ccc(-c2cc(-c3ccc(S(=O)(=O)OC4CCCN(C(=O)OC(C)(C)C)C4)cc3)cnc2Cl)cc1,XOTQCYCJWZZZFS-UHFFFAOYSA-N
-rxn:4:184040:222861,CCCCNC(=O)c1cc(-c2ccccc2C(=O)N2CCC(COCc3ccc(F)cc3)CC2)ccc1F,HTZCUEUQFGVPAM-UHFFFAOYSA-N
-rxn:4:184056:223586,COc1ccc(COc2cc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3OC)cc(C(F)(F)F)c2)cc1,UVQAPFSYMKNUJM-UHFFFAOYSA-N
-rxn:4:184062:223253,CCCCNc1ncc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)cc2C)cn1,XLSPNMGJHAIYAJ-UHFFFAOYSA-N
-rxn:4:184069:223509,COc1ccc(-c2cccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c(C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1,PTXFWQYTZDJHMI-UHFFFAOYSA-N
-rxn:4:184070:228582,COC(=O)C1(c2ccc(-c3cnccc3C(C)C)cc2C)CCN(C(=O)OC(C)(C)C)C1,MQLBJLCLEZFPCA-UHFFFAOYSA-N
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-rxn:4:184090:228842,COC(=O)c1cc(-c2ccc(Cl)c(F)c2C)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,CAUIYQZIZCGWHM-UHFFFAOYSA-N
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-rxn:4:184094:222877,CC(C)c1ccc(CN(C(=O)c2ccccc2-c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)C2CCS(=O)(=O)C2)cc1,QJAWPZXGFGDQMH-UHFFFAOYSA-N
-rxn:4:184099:226076,COc1cc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)c2ccccc2c1,BWVIDCQYLQTPGE-UHFFFAOYSA-N
-rxn:4:184099:227209,CC(c1ccc(-c2ccc3c(c2)OC(C)(C)O3)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,QPJWVUCNTFQXQG-UHFFFAOYSA-N
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-rxn:4:184134:223750,CCOC(=O)c1c(-c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)c2ccccc2n1C(=O)OC(C)(C)C,KZGGHVDDBFOWMU-UHFFFAOYSA-N
-rxn:4:184152:223031,CCNC(=O)c1ccc(-c2cc3oc(C)c(C(=O)OCC)c3cc2OC(=O)N2CCOCC2)c(OC)c1,OIDMGFYWUZEFSU-UHFFFAOYSA-N
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-rxn:4:184179:223498,COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)cc1OC,NTXIITGXDLETTG-UHFFFAOYSA-N
-rxn:4:184188:224426,CC(C)(C)OC(=O)N(Cc1ccc(-c2cc(C3CCCCC3)cc(C3CC3)c2)c2ccccc12)C1CCC1,ILAVOPIVVPWPCJ-UHFFFAOYSA-N
-rxn:4:184199:223798,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(COc3cccc(C(F)(F)F)c3)cc2)c2ccccc12)C1CCOC1,ABNNFGVQFZJXLH-UHFFFAOYSA-N
-rxn:4:184207:222545,CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)cc3)cc12,KZXYFBNMWKZAKV-UHFFFAOYSA-N
-rxn:4:184215:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCOCC3)c3ccccc23)cn1,BKKUMTCJSUYKAI-UHFFFAOYSA-N
-rxn:4:184222:225407,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c2ccccc12)C1CCCCC1,PJPAYMZGAYRSCE-UHFFFAOYSA-N
-rxn:4:184313:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc([N+](=O)[O-])c(OC(C(F)(F)F)C(F)(F)F)c2)cc1,AUAVPGZHEFEOMH-UHFFFAOYSA-N
-rxn:4:184405:224485,COC(=O)Cc1cc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c(C(F)F)cc1C#N,ZZNKBENUHFAANT-UHFFFAOYSA-N
-rxn:4:184407:222604,COC(=O)Cc1cc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c(C#N)cc1C(F)F,GPJBTUGZNQZSQI-UHFFFAOYSA-N
-rxn:4:184450:223892,COC(=O)Cc1ccc(C(F)(F)F)c(-c2ccc(OCCCN3CCN(C)CC3)cc2)c1C#N,KJYSXTXYJBMJDG-UHFFFAOYSA-N
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-rxn:4:184685:224756,CN(C)C(=O)Cc1ccc(-c2cc(F)ccc2C(=O)N2CCOCC2)cc1OC(F)(F)F,ICQXKRSSSMTQER-UHFFFAOYSA-N
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-rxn:4:185110:222581,COC1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC(C)C)c4ccccc34)cc2OC(F)(F)F)CC1,WMNGUNUJLWXVRM-UHFFFAOYSA-N
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-rxn:4:185464:223926,CCOC(=O)c1cnc2cc(OC)c(OC)cc2c1-c1ccc(CN2CCC3(CC2)OCCO3)cc1,JXYLGESGFXXTJJ-UHFFFAOYSA-N
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-rxn:4:185591:224485,COC(=O)C1=Cc2cc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)ccc2N(Cc2ccc(OC)cc2)CCC1,QHECGFMDMOSUQN-UHFFFAOYSA-N
-rxn:4:185614:223158,CCNC(=O)c1ccc(-c2cc(CCC(=O)N3CCCC4(C3)OC(=O)c3ccccc34)ccc2OC)cc1F,RAKRQHRWDLHEFA-UHFFFAOYSA-N
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-rxn:4:185892:223940,COC(=O)c1c(-c2ccc3c(c2)OCCN3C(=O)OC(C)(C)C)ccc(C(F)F)c1C#N,LZQQOTWCJINIMZ-UHFFFAOYSA-N
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-rxn:4:186542:226124,COCc1ccc(C2CC2)cc1-c1ccc(C(F)(F)F)c(C(=O)ON2C(=O)CCC2=O)c1,NYXIJCZRJVCFHL-UHFFFAOYSA-N
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-rxn:4:187041:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccccc3CCCN3CCOCC3)ccc2Cl)CC1,MKMUGGGEHNWPAQ-UHFFFAOYSA-N
-rxn:4:187069:224178,CCOC(=O)c1ccc(N2CCOCC2)c(-c2cccc(OCCN3CCN(C)CC3)c2)c1,HIMIFMMIAVTNNJ-UHFFFAOYSA-N
-rxn:4:187179:223995,CC1CCN(C(=O)COc2cccc(-c3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)c2)CC1,FOOJJGNWVWBWMD-UHFFFAOYSA-N
-rxn:4:187181:224162,CC1CCCN(C(=O)COc2cccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)c2)C1,QZPONICZCXJYMR-UHFFFAOYSA-N
-rxn:4:187202:224772,CC(C)(C)OC(=O)N1CC(c2ccc(Cl)c(-c3ccc(C(=O)N4CCOCC4)cc3Cl)c2)C1,ITWKYCZEIYAJQD-UHFFFAOYSA-N
-rxn:4:187203:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(Cl)ccc1C1CN(C(=O)OC(C)(C)C)C1,FJYXAHJYGJMMKX-UHFFFAOYSA-N
-rxn:4:187231:222741,CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1,UTLAMSBGCYYVNF-UHFFFAOYSA-N
-rxn:4:187254:223766,CC(C)(C)OC(=O)n1c(-c2cc(CCN3CCCC(C(F)(F)F)C3)ccc2F)cc2cc(C#N)ccc21,HMMDDAUEUDDVLO-UHFFFAOYSA-N
-rxn:4:187292:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OCCC2CCN(C)CC2)cc1,FICFRQKBDWGDMQ-UHFFFAOYSA-N
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-rxn:4:187323:222705,CC1CCN(Cc2ccc(-c3cc(C4CCNCC4)cc(C(F)(F)F)c3)cc2OC(F)(F)F)CC1,MIXRVZNXHUYBBS-UHFFFAOYSA-N
-rxn:4:187324:225531,CCN(CC)Cc1cc(F)ccc1-c1cc(C(=O)N2CCC(OC)CC2)cc(Cl)c1OC,DVIRQFOOBYGLNR-UHFFFAOYSA-N
-rxn:4:187353:223652,COc1ccc(Cl)c2cc(-c3coc([Si](C(C)C)(C(C)C)C(C)C)n3)n(C(=O)OC(C)(C)C)c12,WXESWRPUIUTFIL-UHFFFAOYSA-N
-rxn:4:187380:223023,CC1CCCCN1C(=O)CS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)N(C)C)cc1,DGJNRBMFBRWDKT-UHFFFAOYSA-N
-rxn:4:187396:224880,CN1C(=O)C(=Cc2cc(-c3ccccc3CN3CCCCCC3)ccc2OCc2ccc(Cl)cc2)SC1=S,KGDARWWCOTYTKT-UHFFFAOYSA-N
-rxn:4:187420:224970,Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(S[Si](C)(C)C(C)(C)C)cc1,FMIRSTJJYFSYBI-UHFFFAOYSA-N
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-rxn:4:187465:222585,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccccc4C(=O)NCCN4CCOCC4)o3)CC2)cc(=O)o1,FXVIENKYFLKALB-UHFFFAOYSA-N
-rxn:4:187489:225408,CCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-c1cc2c3c(c1)CCCN3CCC2,XWGKSRJNNKXTRP-UHFFFAOYSA-N
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-rxn:4:187606:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)c4ccc(CN5CCCCC5)cc4)c(F)c3)cc2[N+](=O)[O-])CC1,DUAIRNAVIALFKV-UHFFFAOYSA-N
-rxn:4:187618:222744,CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1-c1cccc(C(=O)N2CCCC(C(F)(F)F)C2)c1,KGXMXXRBBAQJMZ-UHFFFAOYSA-N
-rxn:4:187633:224421,CC(C)c1cc(C(C)C)c(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)c(C(C)C)c1,XTWDMIJKWILXQH-UHFFFAOYSA-N
-rxn:4:187655:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cc(CN(C)C2CCCC2)cc(C(C)(C)C)c1,BJTNAEJVKCCMOY-UHFFFAOYSA-N
-rxn:4:187658:226028,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2ccc(C(F)(F)F)c(C#N)c2F)c(C)cc1C,SPGDONRWEKWWGG-UHFFFAOYSA-N
-rxn:4:187659:225568,COC(=O)C(C)(C)c1ccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,WOSKIRVPGNXBLB-UHFFFAOYSA-N
-rxn:4:187667:225719,COCCOc1ccc(-c2cccc(C3CCCN(C(=O)OC(C)(C)C)C3)c2C)cc1OC,RAXLQSFRIKBARU-UHFFFAOYSA-N
-rxn:4:187673:223809,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)c1,WZYWLAJLWGJSLW-UHFFFAOYSA-N
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-rxn:4:187950:224999,CC(c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(=O)(=O)c3ccccc3)C4)o2)cc1)N1CCOCC1,HMQVIPYZVYTOJI-UHFFFAOYSA-N
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-rxn:4:189379:224720,CN(C)S(=O)(=O)c1ccc(-c2cn(C(=O)OC(C)(C)C)nc2C2CC2)c(C(F)(F)F)c1,DKLGCAYWFJCMPG-UHFFFAOYSA-N
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-rxn:4:189866:222861,CCCCNC(=O)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCC3)c2)ccc1F,KEXALRUAYIOUAJ-UHFFFAOYSA-N
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-rxn:4:189942:224372,COc1ccc(CN2CCC(F)(F)C2)cc1-c1cc(C(=O)N2CCCC2)cc([N+](=O)[O-])c1,NCKJSLVFUYFSRL-UHFFFAOYSA-N
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-rxn:4:190035:225378,CN(C)S(=O)(=O)c1cc(F)c(F)cc1-c1cc(CC(=O)N2CCC(F)(F)CC2)ccc1Cl,SFNSIZUZTPTFOO-UHFFFAOYSA-N
-rxn:4:190052:225118,COC(=O)c1cc(-c2ccc(C(F)(F)F)c(C(=O)N3CCCCC3)c2)ccc1OC(C)C,OYQGTQCELPYLPJ-UHFFFAOYSA-N
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-rxn:4:190823:224290,CC(C)(C)OC(=O)N1Cc2cc(-c3ccc(Cl)cc3OCCN3CCOCC3)ccc2C1=O,WHYJBEPYVSNKGX-UHFFFAOYSA-N
-rxn:4:190869:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)C(=O)CO2,WQOQICJTLOHXEH-UHFFFAOYSA-N
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-rxn:4:190933:224396,Cc1cc(-c2ccc3c(c2)C(C)N(C(=O)OC(C)(C)C)C3=O)ccc1S(=O)(=O)N1CCOCC1,FBTUQZRYLQHWOZ-UHFFFAOYSA-N
-rxn:4:190961:222824,Cc1cc(F)c(-c2cc3c(cc2F)N(C(=O)OC(C)(C)C)CCC3)cc1S(=O)(=O)NC(C)C,UISGUTJEZBHQNH-UHFFFAOYSA-N
-rxn:4:191008:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)C2(C)C,FIILORWJEWYFFQ-UHFFFAOYSA-N
-rxn:4:191036:224864,CC1Cc2cc(-c3ccc(CN(C(C)C)C(C)C)cc3)ccc2CN1C(=O)OC(C)(C)C,QAIBZONJRNFANQ-UHFFFAOYSA-N
-rxn:4:191039:222821,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)ccc1F,OJOMGKAOZMCXEH-UHFFFAOYSA-N
-rxn:4:191039:224930,CCN(CC)Cc1cc(-c2ccc3c(c2)C(C)(C)CN3C(=O)OC(C)(C)C)ccc1OC,PZCAQHBHWVEDCJ-UHFFFAOYSA-N
-rxn:4:191055:224937,CCOC(=O)C1(c2ccc(-c3ccc4c(c3)C3(CC3)CN(C(=O)OC(C)(C)C)C4)cc2)CC1,ZNDOWEDLVLDHEW-UHFFFAOYSA-N
-rxn:4:191062:222854,COc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,VFICFLIREKZZLC-UHFFFAOYSA-N
-rxn:4:191062:225607,CC(c1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(S(C)(=O)=O)C3)s1)N1CCCCC1,DVJYZWGNUBXVCR-UHFFFAOYSA-N
-rxn:4:191089:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cc1,FBIMGWRURHCIDN-UHFFFAOYSA-N
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-rxn:4:191090:223082,CNS(=O)(=O)c1c(C)cc(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cc1C,PQQYAKVICGYOTG-UHFFFAOYSA-N
-rxn:4:191090:224015,Cc1cc(F)c(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)N1CCOCC1,VPDAECRVPCUJHX-UHFFFAOYSA-N
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-rxn:4:191097:227469,COCC(C)(C)n1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cn1,YYEYRTLFYCAQDB-UHFFFAOYSA-N
-rxn:4:191122:223979,COc1ccc(S(=O)(=O)N2c3ccc(-c4cc(C(=O)N5CCCCC5)cc([N+](=O)[O-])c4)cc3C(C)=CC2(C)C)cc1,BGUHWDFUXMIHRV-UHFFFAOYSA-N
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-rxn:4:191140:223903,CCOC(=O)c1nc2c(s1)CCOc1cc(F)c(-c3ccccc3CCC(=O)N3CCC(=O)CC3)cc1-2,OFCLZHQDFLTYNI-UHFFFAOYSA-N
-rxn:4:191172:223168,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5cccnc5N5CCNCC5)cc4)cc1c32,AIEYWQLQCWMBFU-UHFFFAOYSA-N
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-rxn:4:191184:222885,O=C(NC1CCOC1)c1ccc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(Cl)cc2)N(CC2CCCO2)C4=O)cc1,VZVCONKSIUCUIH-UHFFFAOYSA-N
-rxn:4:191189:223157,CCNC(=O)c1cc(F)cc(-c2ccc(S(=O)(=O)C3C(=O)N(C)C4(C)CC3c3cc(OC)ccc3O4)cc2)c1,BZEHYNUFHIYAEB-UHFFFAOYSA-N
-rxn:4:191195:223890,CC1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(-c1cc3ncn(Cc4ccccc4)c3cc1F)c1c2CCC1,SKMPNGKNQKQNJS-UHFFFAOYSA-N
-rxn:4:192294:223541,CC(C)C(=O)c1cccnc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,BNMULUYXBSTSMM-UHFFFAOYSA-N
-rxn:4:192789:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1,POPICEHWKBRTEF-UHFFFAOYSA-N
-rxn:4:193126:223608,O=C1CCCN1c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1C(F)(F)F,WQVQBLDEZZEYAP-UHFFFAOYSA-N
-rxn:4:193267:224317,CN1CCN(C(=O)c2ccc(-c3cc(F)c(C(=O)N4CCOCC4)cc3Cl)c(F)c2)CC1,JRNJQZVADPCBJO-UHFFFAOYSA-N
-rxn:4:193288:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C(=O)N2CCSCC2)cc(F)c1F,HUZVVXZADQAQNQ-UHFFFAOYSA-N
-rxn:4:193405:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)ccc(F)c2s1,NGULIGNNIBAYSB-UHFFFAOYSA-N
-rxn:4:193497:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)cnc21,BWPCKNRWBGNINB-UHFFFAOYSA-N
-rxn:4:193500:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,KCJJDFPXHBGRKN-UHFFFAOYSA-N
-rxn:4:193575:222514,COc1ccc(-c2ccc(C3CCCN3S(C)(=O)=O)cc2)cc1S(=O)(=O)NC1CCCCC1,GUZGMJGXXSMQGE-UHFFFAOYSA-N
-rxn:4:193602:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCS(=O)(=O)CC4)c(F)c3)c(F)c2)CC1,XIKXFZBOYSCGIN-UHFFFAOYSA-N
-rxn:4:193602:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(CN3CCS(=O)(=O)CC3)c(F)c2)c(F)c1,SJHCEXYUVVCOCM-UHFFFAOYSA-N
-rxn:4:193617:224306,Cc1ccc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)c(C(=O)N2CCSCC2)c1F,OJWVYFFPPLCBIE-UHFFFAOYSA-N
-rxn:4:193633:222426,Cc1ccc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)cc1S(=O)(=O)N1CCC(F)(F)C1,XJXDTWDVLDADKX-UHFFFAOYSA-N
-rxn:4:193956:223809,Cc1ccc(C2(N3CCC(=O)CC3)CC2)c(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)c1,VBHJITRDXYSGRV-UHFFFAOYSA-N
-rxn:4:193966:224252,Cc1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccc(C(=O)N2CCCC(C)C2)c(F)c1,RPNIQEFYZGEGBR-UHFFFAOYSA-N
-rxn:4:193975:223071,CCS(=O)(=O)NCc1ccc(-c2ccccc2S(=O)(=O)N2CCC3(CC2)OCCS3)cc1,WWDPTQWTGSZNLM-UHFFFAOYSA-N
-rxn:4:194283:223506,COc1ccc2nc(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc(C(F)(F)F)c2c1,JPFIVDHTSRNRGO-UHFFFAOYSA-N
-rxn:4:194456:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CC5CC4CS5)cc3)c2)CC1,ZBNLLNMMGQSVGT-UHFFFAOYSA-N
-rxn:4:194528:223755,CC1CCN(CCCOc2ccc(-c3cccc4c3CCN(C(=O)C3CC3)C4)cc2F)CC1,VILYSFCRFIQNSI-UHFFFAOYSA-N
-rxn:4:194572:222389,O=S1(=O)CC2CC1CN2S(=O)(=O)c1ccccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,XKPOOFONJYANBA-UHFFFAOYSA-N
-rxn:4:194626:222514,COc1ccc(-c2ccc(C(=O)N3C4CCC3CC(F)C4)cc2)cc1S(=O)(=O)NC1CCCCC1,UDYXVPOOCJWGMG-UHFFFAOYSA-N
-rxn:4:194665:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc2c(c1)CN(Cc1ccc(F)cc1F)C(=O)CO2,UHIYFWUPPCQYNO-UHFFFAOYSA-N
-rxn:4:194679:223743,COc1cccc2c1OCC(=O)N(c1cccc(-c3ccc(C)c(OCCCN4CCC(C)CC4)c3)c1)C2,XTTPWNQTPKUTMJ-UHFFFAOYSA-N
-rxn:4:194714:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2cccc3c2CCC3N2CCCC(C(F)(F)F)C2)c1,MGIURHRPARBOMK-UHFFFAOYSA-N
-rxn:4:194730:224587,COC1CCN(C2CCc3cc(-c4ccc(CN5CCC(C)CC5)c(F)c4)ccc32)CC1,MFYHKFJEQZFQBR-UHFFFAOYSA-N
-rxn:4:194737:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1ccc2oc(=O)c(S(=O)(=O)N3CCCCCC3)cc2c1,WWQNJTDSFFWKPF-UHFFFAOYSA-N
-rxn:4:194747:223550,CC(C)c1cccc(C(C)C)c1OCc1ccccc1-c1cccc2c1CCN(C(=O)C1CCCCC1)C2,RKPHUUNEUINZPY-UHFFFAOYSA-N
-rxn:4:194747:223738,CC(C)(C)[Si](C)(C)Oc1ccc2cc(-c3cccc4c3CCN(C(=O)C3CCCCC3)C4)ccc2c1,ZBOYAYQABVYIPD-UHFFFAOYSA-N
-rxn:4:194767:224755,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(C(=O)N5CCOCC5)ccc4F)ccc3Cl)C2)c2ccccc21,IBJRQCZKUAPHNG-UHFFFAOYSA-N
-rxn:4:194780:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cccc(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)c2)cc1,QVTDSFCPPAYUDI-UHFFFAOYSA-N
-rxn:4:194785:225568,COC(=O)C(C)(C)c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1,DQGNNWVVBNWDLQ-UHFFFAOYSA-N
-rxn:4:194790:223673,O=C1C2C(c3ccc(-c4cccc(COc5cc(C(F)(F)F)ccc5Cl)c4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1,CVFJHVWVPBLIRZ-UHFFFAOYSA-N
-rxn:4:195595:223489,Cc1cc(C(F)F)c(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cn1,AOAPEUYDPBHUPA-UHFFFAOYSA-N
-rxn:4:197888:223813,CC(C)N1Cc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)ccc2OCC1=O,VDDIMBLIDPIUFD-UHFFFAOYSA-N
-rxn:4:197944:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2cccc3c2CCC3N2CCCCC2)cc1F,TVFRQPZIKISNQS-UHFFFAOYSA-N
-rxn:4:197977:225307,FC1(F)CCN(C2CCCc3c(-c4ccc(C5COC5)c(C(F)(F)F)c4)cccc32)CC1,JRIAKANJLNPJAZ-UHFFFAOYSA-N
-rxn:4:197988:224656,COc1ccc(-c2cccc3c2CCCC3N2CCC(C)CC2)c(F)c1OC1CCCC1,NWMBILNFGQHUEK-UHFFFAOYSA-N
-rxn:4:199499:222877,CC(C)(C)NC(=O)c1ccc(-c2ccnc(N(CC(F)F)C(=O)OC(C)(C)C)c2)cc1Cl,AKYWQXWYFZTSPW-UHFFFAOYSA-N
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-rxn:4:203731:222828,O=C(c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)o1)N1CC(N2CCCC2)C1,LPHDILXNMPYEQG-UHFFFAOYSA-N
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-rxn:4:204074:227449,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccc(C3CCOCC3)s2)CC1,JPLBHVAXCZHHGR-UHFFFAOYSA-N
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-rxn:4:204185:224490,Cc1cc(C)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C)c1-c1ccccc1OCCN1CCCCC1,WLZSDHHNZLAGMJ-UHFFFAOYSA-N
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-rxn:4:204740:222513,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc(S(=O)(=O)NC4CCCCC4)ccc3OC)ccc21,YMLBQALZGHOESP-UHFFFAOYSA-N
-rxn:4:204799:225882,O=C(C1=CN(c2ccc(-c3cnc(Cl)c(C4CCOCC4)c3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,XECIRXJWXWXYHD-UHFFFAOYSA-N
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-rxn:4:204869:223040,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccc(C(=O)NC2CC2)c(F)c1,IMXRQZYAGNPUSC-UHFFFAOYSA-N
-rxn:4:206676:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(CN2CCN(C)CC2)o1,UPWAJFCRFRGRFD-UHFFFAOYSA-N
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-rxn:4:206900:223525,CN1CCN(Cc2ccccc2-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,DATQRECBGJWOJA-UHFFFAOYSA-N
-rxn:4:206979:222772,CN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cl)c(C(=O)NC3CCCC3)c2)CC1,QABRXIFYGLHQCO-UHFFFAOYSA-N
-rxn:4:207060:224193,CCN1CCN(Cc2cc(-c3ccc(S(=O)(=O)N4CCCN(C)CC4)cc3)ccc2F)CC1,UCXKQVUSEAAVAP-UHFFFAOYSA-N
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-rxn:4:207779:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,OWVIXPPNIIOOHD-UHFFFAOYSA-N
-rxn:4:207812:223754,CC1CCN(CCCOc2ccc(-c3ccc4[nH]cc(C5=CCN(C(C)C)CC5)c4c3)cc2Cl)CC1,YRMGIBUMJIPOFW-UHFFFAOYSA-N
-rxn:4:207854:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,XMPKUVMVLGQZOI-UHFFFAOYSA-N
-rxn:4:207946:222454,COc1cc(-c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,KFBOFAOBKHNMTB-UHFFFAOYSA-N
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-rxn:4:209770:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccnc(N4CCC(F)(F)CC4)c3)cc2)CC1,ONHLTWIWYHPWMJ-UHFFFAOYSA-N
-rxn:4:210229:223480,Cc1cc(-c2ncc([N+](=O)[O-])c3ccccc23)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,FFLHIRASUHAGCP-UHFFFAOYSA-N
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-rxn:4:211089:224273,CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)N2CCCCCC2=C(C#N)S3(=O)=O)cc2ncccc21,PQRAXHCJJHNCGD-UHFFFAOYSA-N
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-rxn:4:212520:224734,CN(CCn1cc(-c2ccc(C(F)(F)F)cc2OCC2CC2)cn1)C(=O)OC(C)(C)C,UBFOQYFJJVZZLF-UHFFFAOYSA-N
-rxn:4:212526:225376,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2cc(F)c(F)c(OCC(F)(F)F)c2)CC1,WBIVYYQUNQNBQZ-UHFFFAOYSA-N
-rxn:4:212532:222589,O=C(c1cccc(OC(F)(F)F)c1)N1CC(Cn2cc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)cn2)C1,LDRASEJUBWJHBS-UHFFFAOYSA-N
-rxn:4:212607:225977,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(Cl)cnc3N3CCOCC3)cn2)CC1,DCBSPQIREZRCTC-UHFFFAOYSA-N
-rxn:4:212630:225639,CC1CCN(c2ncccc2-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)CC1,XQSADZKNAODHIR-UHFFFAOYSA-N
-rxn:4:212636:227220,CCOCSc1ccc(-c2cnn(CCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,MUOXUUPDASEHPD-UHFFFAOYSA-N
-rxn:4:212641:227457,COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(-c4cc(C)cn5c(C)nnc45)o3)CC2)C1=O,SMXCXKORZUNVBZ-UHFFFAOYSA-N
-rxn:4:212650:224750,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(Cl)c(C(=O)N4CCOCC4)c3)cn2)C1,JVDMZJIWRYJBDD-UHFFFAOYSA-N
-rxn:4:212669:224721,COc1cnc(OC2CCN(C(=O)c3cc(OC)ccc3-c3c(C)nn(CC(=O)OC(C)(C)C)c3C)CC2)nc1,PWTKJBDKJMEEJR-UHFFFAOYSA-N
-rxn:4:212680:225898,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3cnn(CCN4CCOCC4)c3)CC2)nn1,FLBZRNYTZHZWPU-UHFFFAOYSA-N
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-rxn:4:212706:224372,COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)C(c3ccc(-c4cc(C(=O)N5CCCC5)cc([N+](=O)[O-])c4)cc3)C2)cc1,NVRSSEKDXAGINI-UHFFFAOYSA-N
-rxn:4:212732:224488,CC(C)N(C(=O)c1ccc(-c2ccc(S(=O)(=O)c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cn3)cc2)cc1)C(C)C,UFAMSZKBOONLNX-UHFFFAOYSA-N
-rxn:4:212740:223893,CCN1CCN(CCOc2cccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,WZOQLFWNXYFFLC-UHFFFAOYSA-N
-rxn:4:212749:228405,COc1cc(F)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCCCC3)c2)cc1Cl,MYLHZBYMBPFIEO-UHFFFAOYSA-N
-rxn:4:212751:225303,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C(C)(C)C)nc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,XNYRWLMETFJFJK-UHFFFAOYSA-N
-rxn:4:212838:223659,Cc1cccc(OCCn2c(C3CC(=O)N(c4ccccc4-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)C3)nc3ccccc32)c1,OTVVYFJFLGINQE-UHFFFAOYSA-N
-rxn:4:212839:224681,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(=O)N5CCCCC5)c(F)c4)ccn23)CC1,YKHRVDSLAKUIGH-UHFFFAOYSA-N
-rxn:4:212839:225431,CCOc1ccc(C(C)(C)C)cc1-c1ccn2c(C(C)N3CCN(CC)CC3)c(C)c(C(=O)OC(C)C)cc12,WJCRRQOIAVNTQW-UHFFFAOYSA-N
-rxn:4:212847:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(C(=O)CSc3ncc4c(n3)-c3ccccc3N(Cc3ccc(F)cc3)S4(=O)=O)cc2)CC1,CPEZTIXLHKPYQL-UHFFFAOYSA-N
-rxn:4:212988:222966,CC(C)(C)CNCc1cncc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)c1,MPDSXKDWTKFHOX-UHFFFAOYSA-N
-rxn:4:212988:226471,CN(C)CCOc1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)cn1,OAHYBWILXSGCGW-UHFFFAOYSA-N
-rxn:4:213022:222748,N#Cc1cccnc1OC1CCN(C(=O)c2ccccc2-c2cccc(C(=O)NCC3CCCO3)c2)CC1,CRWCMNWGBQZIGK-UHFFFAOYSA-N
-rxn:4:213043:224756,CC(C)(C)OC(=O)N1CCCC(Oc2ncc(-c3cc(F)ccc3C(=O)N3CCOCC3)cn2)C1,JLLYNESODIURDZ-UHFFFAOYSA-N
-rxn:4:213043:225359,COc1cc(-c2cnc(OC3CCCN(C(=O)OC(C)(C)C)C3)nc2)c(C(F)(F)F)cc1OC,WGWYIAHRVVJCSN-UHFFFAOYSA-N
-rxn:4:213045:223049,O=C(NC1CC1)c1ccc(-c2cnc(OCC3CCCN(C(=O)C4CCC4)C3)nc2)c(F)c1,IKIJWILZRNYLHG-UHFFFAOYSA-N
-rxn:4:213064:225051,CC1CCCN(c2cc(F)cc(-c3cncc(C(=O)N4CCC(Oc5ccc(C(F)(F)F)cn5)CC4)c3)c2)C1,AAIILJBJFWCFRG-UHFFFAOYSA-N
-rxn:4:213064:225655,CC1CCN(c2cncc(-c3cncc(C(=O)N4CCC(Oc5ccc(C(F)(F)F)cn5)CC4)c3)c2)CC1,SHXACLQEKFUXLZ-UHFFFAOYSA-N
-rxn:4:213077:226487,COC(=O)COc1cccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C(F)F)c1,ORLUPSKZANNWLB-UHFFFAOYSA-N
-rxn:4:213080:227212,CCCCOc1ncccc1-c1cncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,JAJQGFZLALMVMN-UHFFFAOYSA-N
-rxn:4:213086:222602,CCc1cnc(OC2CCN(Cc3ccc(-c4cc(CC(C)C)sc4S(=O)(=O)NC(C)(C)C)o3)CC2)nc1,GQJRRXCLTRSIQQ-UHFFFAOYSA-N
-rxn:4:213131:222506,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(C(=O)NCc4cccc(F)c4)cc3Cl)cn2)CC1,ZZWOUKWVMVMSER-UHFFFAOYSA-N
-rxn:4:213151:224350,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCCC4)c(C(F)(F)F)c3)cc(F)c2[N+](=O)[O-])CC1,GTJZZHQMGKFRHD-UHFFFAOYSA-N
-rxn:4:213192:223071,CCS(=O)(=O)NCc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cc1,KGPXRADRLJKYJI-UHFFFAOYSA-N
-rxn:4:213192:228094,CCCOc1cncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)c1,WJSUILDRJRIZEN-UHFFFAOYSA-N
-rxn:4:213222:222975,Cc1cc(C(=O)NC2CC2)ccc1-c1ccc(C(=O)N2CCN(Cc3nc(C(C)(C)C)cs3)CC2)o1,WNPUQZYWDPMHHM-UHFFFAOYSA-N
-rxn:4:213246:225158,Cc1ccc(=O)n(CC2CCN(C(=O)Cc3ccc(-c4ccc(C(=O)N5CCSCC5)cc4)cc3)CC2)n1,ITUFNRHZPUNMPN-UHFFFAOYSA-N
-rxn:4:213265:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,MKBUZHNQUUDWOV-UHFFFAOYSA-N
-rxn:4:213266:224745,CC(C)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C(=O)OC(C)(C)C)c(Cl)cc3F)n2)CC1,XSVMIEYQQMPWEH-UHFFFAOYSA-N
-rxn:4:213320:224246,COC(=O)c1nc(-c2ccc(C(=O)N3CCC(C)CC3)c(F)c2)n2c1CN(C(=O)OC(C)(C)C)CC2,OJRMPFMDVUXZEZ-UHFFFAOYSA-N
-rxn:4:213353:225167,O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(Oc2ccncc2-c2cc(F)cc(C(=O)N3CCCC3)c2)C1,RBCHFFJCPJOSSG-UHFFFAOYSA-N
-rxn:4:213355:226589,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4cc(C(F)F)ncc4C(C)C)cc3nn2C)C1,RZYPCDCOORCKGK-UHFFFAOYSA-N
-rxn:4:213384:224420,COc1ccc2cc(C(=O)N3CCC(Oc4ncccc4-c4cc5c(cc4C)C(C)(C)CCC5(C)C)CC3)[nH]c2c1,VAWDWFGEVAPNPC-UHFFFAOYSA-N
-rxn:4:213406:225914,CCOc1cc(-c2ccc3nc(N4CCN(C(=O)c5ccccc5S(=O)(=O)CC)CC4)sc3c2)cc(C(F)(F)F)c1,UJPNGLPEALUEKV-UHFFFAOYSA-N
-rxn:4:213428:222946,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cnc(N5CCCCC5O)nc4Cl)ccc3c2)[nH]1,RHLJNTQNNQOPSA-PMCHYTPCSA-N
-rxn:4:213453:223666,CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(-c4cccc(COc5ccc(OC(F)(F)F)cc5)c4)cc3)N2C1=O,IMHQACUMFIUCRH-UHFFFAOYSA-N
-rxn:4:213480:224319,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,RVGNYZZOOWVGCH-XLKWLEGVSA-N
-rxn:4:213604:224572,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccc(N4CCCC(C)C4)cc3C#N)cn2)C1,QBZCEFUCZISNDS-UHFFFAOYSA-N
-rxn:4:213631:224420,Cc1cc2c(cc1-c1cnn(CC3CCCN(CC(F)F)C3)c1)C(C)(C)CCC2(C)C,YTUNHGYWXSSCED-UHFFFAOYSA-N
-rxn:4:213740:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCC(Oc3ncc(F)cn3)C2)cc1,QIIYLKVJCPTPLR-UHFFFAOYSA-N
-rxn:4:213753:224497,CCN1CCN(Cc2ccc(-c3cnn(CC4CN(CC5CCCC5)C4)c3)cc2)CC1,SCUZMCPCJGILMY-UHFFFAOYSA-N
-rxn:4:213756:222546,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)s2)CC1,LAJBXLCBVOHUCP-UHFFFAOYSA-N
-rxn:4:213757:225363,CN(C)S(=O)(=O)N1CCC(Cc2cccc(-c3ccc(C(=O)N4CC(F)(F)C4)nc3)n2)C1,INFDDGCPQZUXGM-UHFFFAOYSA-N
-rxn:4:213759:224765,CC(C)(C)OC(=O)N1CCCC1c1cnc(-c2cc(C(F)(F)F)ccc2N2CCCC2)cn1,ZLUVZIJIRQJBFY-UHFFFAOYSA-N
-rxn:4:213764:222614,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(S(=O)(=O)NC4CC4)cc3C(F)(F)F)cn2)C1,XEEBEPFUZBMOKY-UHFFFAOYSA-N
-rxn:4:213765:222546,CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)n2)C1,VJKFLXDHZGCXCF-UHFFFAOYSA-N
-rxn:4:213771:222886,CC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCNCC4)cc3C#N)cn2)CC1,SKOXURPSBOCMHO-UHFFFAOYSA-N
-rxn:4:213799:223065,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(N4CCNCC4)cc3F)ncn2)C1,UKJBLDPZQYQWIC-UHFFFAOYSA-N
-rxn:4:213897:225978,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccc(N3CCOCC3)nc2F)CC1,WANRORLBLDDRLV-UHFFFAOYSA-N
-rxn:4:213902:222915,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C(=O)NC4=NCCS4)cc3)cc2F)CC1,ARHRTAMGFPOTIM-UHFFFAOYSA-N
-rxn:4:213902:225688,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(C4CCCCC4)c(Cl)c3)cc2F)CC1,NXISVNQZOHCTFF-UHFFFAOYSA-N
-rxn:4:213954:227790,O=C1C(N2CCC(Oc3ccncc3-c3ccc(Cl)nc3C(F)(F)F)C2)CCN1C1CC1,NXWCJDQGHPSOMR-UHFFFAOYSA-N
-rxn:4:213988:224072,COCCCOc1ccc2cc(-c3ccc(N4CCCN(C(=O)OC(C)(C)C)CC4)nc3)ccc2c1,YJXYJJQHJNNNNA-UHFFFAOYSA-N
-rxn:4:213989:225340,CCOc1cc(-c2cnc(OCC3CCCN(C4CCOCC4)C3)nc2)ccc1OC(F)(F)F,JWIPWTSUBLOZDG-UHFFFAOYSA-N
-rxn:4:213995:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2ccc(N3CCN(C)CC3)nc2C(=O)OC(C)(C)C)c1Cl,SYJQMTDBLGTNLM-UHFFFAOYSA-N
-rxn:4:213998:223687,CC1CN(c2cncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2)CCN1C(=O)OC(C)(C)C,GYNCNXDGYGVSDR-UHFFFAOYSA-N
-rxn:4:214001:225527,CCN(CC)C(=O)c1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c(F)c2)cc1,QSDPWYWZXFYVSE-UHFFFAOYSA-N
-rxn:4:214033:226922,Cc1cc(C2CC2)cc(C)c1-c1cc(C2=N[C@@H](C(C)C)CO2)nc(C2=N[C@@H](C(C)C)CO2)c1,WQPGDFWYKQRICF-JWQCQUIFSA-N
-rxn:4:214056:227003,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccc(OCC5CC5)cc4)o3)S2)CC1,WHDNELCBOVMTNR-UHFFFAOYSA-N
-rxn:4:214060:224265,CC(C)(C)OC(=O)N1CC2(CCN(c3cncc(-c4cc(C5CCCCC5)cc(C(F)(F)F)c4)c3)CC2)C1,IONTZFGBHZWLSB-UHFFFAOYSA-N
-rxn:4:214082:226308,CCc1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCOCC3)c2)ccc1C(=O)OC,PHGUJTNHIZYCHT-UHFFFAOYSA-N
-rxn:4:214086:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCCC4)c3)cc2)CC1,NPJXKAOISGVLHH-WXUXXXNLSA-N
-rxn:4:214179:223790,CC(C)(C)OC(=O)N1CC(c2ncn3ccc(-c4cncc(C5CCCN5C(=O)OC(C)(C)C)c4)cc23)C1,XQICSINWPNWINY-UHFFFAOYSA-N
-rxn:4:214184:222677,CC(C)(C)OC(=O)NCc1cc(F)ccc1-c1ccc2ncn(CCCN3CCOCC3)c(=O)c2c1,YBOATSGEROAPTN-UHFFFAOYSA-N
-rxn:4:214203:224725,CCN(CC)S(=O)(=O)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(S(C)(=O)=O)CC3)c2)ccc1C,RJKNMILGOPWIBL-UHFFFAOYSA-N
-rxn:4:214220:222524,CC(C)(C)OC(=O)N1CCCC1c1nc2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)ccc2[nH]1,MCJNWNAOTLJZFE-UHFFFAOYSA-N
-rxn:4:214231:222948,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cnc(N5CCC(O)CC5)nc4Cl)cccc3n2)C1,KMWRZVNEVGPOEC-UHFFFAOYSA-N
-rxn:4:214255:223774,COc1cccc2c1cc(-c1cn([Si](C(C)C)(C(C)C)C(C)C)c3ncnc(Cl)c13)n2C(=O)OC(C)(C)C,NOZGAKIGKJBAMP-UHFFFAOYSA-N
-rxn:4:214270:223926,O=C(c1cncc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1)N1CCC(Oc2cccc3cccnc23)CC1,UMTRJHWZLYBJNO-UHFFFAOYSA-N
-rxn:4:214284:225094,CCCOc1cc(-c2cnn(C3CC4CCC(C3)N4S(=O)(=O)c3cc(F)ccc3OC)c2)cc(Cl)c1OCC,HCIVQEVJAKYTEP-UHFFFAOYSA-N
-rxn:4:214307:224125,O=C(Cc1ccccc1-c1ccc(CN2CCN(C3CC3)CC2)cc1)N1CCCC(n2cnc3ccccc3c2=O)C1,KGGJHSUXDHGRTK-UHFFFAOYSA-N
-rxn:4:214445:223602,CN(C)C(=O)Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cn1,LATRHYCBBDFLFR-UHFFFAOYSA-N
-rxn:4:214460:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cn(C(=O)OC(C)(C)C)nn3)cn2)CC1,YVCYHVOEAPXMMQ-UHFFFAOYSA-N
-rxn:4:214640:224349,O=[N+]([O-])c1cncc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)c1N1CCC(C(F)(F)F)CC1,RRNMOGLZCOOBKX-UHFFFAOYSA-N
-rxn:4:214655:224246,CC1CCN(C(=O)c2ccc(-c3cnn(C(C)C(=O)N4CCC(F)(F)CC4)c3)cc2F)CC1,AKNQSSAIXZZAKE-UHFFFAOYSA-N
-rxn:4:214662:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1C,POGGXUPSEONMOX-UHFFFAOYSA-N
-rxn:4:214670:224396,CC(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)cn2)C1,KZBWWABVUNGFHQ-UHFFFAOYSA-N
-rxn:4:214679:223602,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(CN2CCC(C(F)(F)F)CC2)n1,CNELDGVPDKWFRO-UHFFFAOYSA-N
-rxn:4:214707:225371,COC(=O)c1cc(-c2cnn(C3CCN(S(=O)(=O)C4CC4)CC3)c2)cnc1C(F)(F)F,ROKGSIYSELDZRH-UHFFFAOYSA-N
-rxn:4:214711:224572,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCCC(C)C4)cc3C#N)cn2)CC1,RLUXFXVBVHDVGT-UHFFFAOYSA-N
-rxn:4:214711:224582,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cn2)CC1,PSLJKVKMDNRMSA-UHFFFAOYSA-N
-rxn:4:214711:224646,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(OC4CCOCC4)c(C#N)c3)cn2)CC1,KUKMQGZQTUANBO-UHFFFAOYSA-N
-rxn:4:214742:223501,CN(C)C1CCN(c2ccc(C#N)c(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)c2)CC1,VXBJXXYSGMLQOE-UHFFFAOYSA-N
-rxn:4:214747:224672,CCN1CCN(c2ccc(-c3cccc(C#N)c3N3CCC(N(C)C)CC3)c(Cl)c2)CC1,OYQSGAFIKZMEQQ-UHFFFAOYSA-N
-rxn:4:214760:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(N2CCC(Oc3ccncc3C)C2)c(Cl)c1,UKDXALHKEZDKGK-UHFFFAOYSA-N
-rxn:4:214803:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c2)CC1,OPYCERDBSFXKFC-UHFFFAOYSA-N
-rxn:4:214804:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnccc3N3CCOC(C(=O)N4CCCC4)C3)c2Cl)CC1,BVXYSFODHUDMTN-UHFFFAOYSA-N
-rxn:4:214805:223605,O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1,ATXOHOUWJBOVFF-UHFFFAOYSA-N
-rxn:4:214819:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cc(Cl)cnc1N1CCOC(C(=O)N2CCCC2)C1,OYFZBQKTSTVHNW-UHFFFAOYSA-N
-rxn:4:214822:222709,Cc1cc(C)n(CC2CC(=O)N(c3ccc(-c4cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c4)cc3)C2=O)n1,NPTOQEPWBAJAPN-UHFFFAOYSA-N
-rxn:4:214829:223177,CS(=O)(=O)NCc1ccc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1,IRPSUXJRNSAGIO-UHFFFAOYSA-N
-rxn:4:214839:226770,COC(=O)c1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c(F)cc1Cl,BVJHSQGVIAPAOU-UHFFFAOYSA-N
-rxn:4:214850:224022,CC(C)N1CCCC(Cc2cnc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cn2)CC1,KJQCSXMNUXJZML-UHFFFAOYSA-N
-rxn:4:214867:223945,Cc1cc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,CNYGOZLLCCXUEL-UHFFFAOYSA-N
-rxn:4:214868:222614,O=C(C1CN(c2ncccc2-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)CCO1)N1CCCCC1,QWDIFQNZTUNTQP-UHFFFAOYSA-N
-rxn:4:214870:226259,CCCCOc1ccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1Cl,ZJFKIMIANJPCAY-UHFFFAOYSA-N
-rxn:4:214883:226332,O=C(c1ccccc1-c1cnccc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1)N1CCC1,AJOVRRIOVVYHSF-UHFFFAOYSA-N
-rxn:4:215054:224609,CC(C)N(C(=O)c1ccncc1-c1ncn2c1CCN(C(=O)OC(C)(C)C)C2=O)C(C)C,RIWUQGGXTNNIFP-UHFFFAOYSA-N
-rxn:4:215057:223596,Cc1ccc(S(=O)(=O)n2ncc3c(C#N)cc(-c4ccc(Cl)cc4N4CCN(C(=O)OC(C)(C)C)CC4)cc32)cc1,RNZQYGHZNDXABH-UHFFFAOYSA-N
-rxn:4:215059:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)c1,XJWGKPVSESYJMI-UHFFFAOYSA-N
-rxn:4:215061:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)c1,UAEMYGUZPJROGO-UHFFFAOYSA-N
-rxn:4:215099:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)[C@H](C)C3)cc1F,IHTQAJAZCUQMKK-CQSZACIVSA-N
-rxn:4:215132:222514,COc1ccc(-c2ccc3nc(N4CCN(C(=O)c5ccco5)CC4)sc3c2)cc1S(=O)(=O)NC1CCCCC1,OLRVVRIJJIIALX-UHFFFAOYSA-N
-rxn:4:215150:222462,CC(C)C(=O)N1CCN(c2nc3ccc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)cc3s2)CC1,QRDIPLPFHCDCDC-UHFFFAOYSA-N
-rxn:4:215157:222439,O=C(c1ccccc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1C(F)(F)F)N1CCC(n2cnc3ccccc32)C1,AKIPERAAROCZIC-UHFFFAOYSA-N
-rxn:4:215198:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)sc4c3)c2Cl)CC1,RYAAKCKKLHQTKX-UHFFFAOYSA-N
-rxn:4:215198:226477,CCCCOc1ncc(Cl)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCOCC4)C3)sc2c1,YCRSDBLKUIXYOD-UHFFFAOYSA-N
-rxn:4:215232:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1ccc2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2c1,ZXJFFSFXCPYVHJ-UHFFFAOYSA-N
-rxn:4:215239:227699,COc1cc(-c2ccc(N3OC4C(=O)N(C5CCCCC5)C(=O)C4C3c3cccnc3)cc2)c(Cl)c(OC)n1,IILQTTOHZCVZMH-UHFFFAOYSA-N
-rxn:4:215285:224485,COc1ccc(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)cc2)cc1,DXERHXVQFSXGNQ-UHFFFAOYSA-N
-rxn:4:215288:225878,COc1ccc2[nH]c3c(c2c1)CCN(C1CC(=O)N(c2ccc(-c4cc(Cl)cc(N5CCOCC5)c4)cc2)C1=O)C3,ZGMCACZFUANCFX-UHFFFAOYSA-N
-rxn:4:215293:224719,CCCN1C(=O)C2(c3cc(-c4cn(C(=O)OC(C)(C)C)nc4C(C)C)ccc31)c1[nH]c3ccccc3c1CCN2C(C)=O,DDSFSLHARLDMOE-UHFFFAOYSA-N
-rxn:4:215300:222684,Clc1cc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)ccc1OCCN1CCNCC1,CYLJTBGBLUIQMO-UHFFFAOYSA-N
-rxn:4:215302:226354,COc1cc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)c(Cl)c(C2CC2)c1,MBQGHSTXTKBIQH-UHFFFAOYSA-N
-rxn:4:215663:223834,Cc1cc(-c2csc(N3CCC(C#N)CC3)n2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,BAPUSRIGYUANQD-UHFFFAOYSA-N
-rxn:4:215829:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2c(C(=O)N3CCCC(F)(F)C3)cnn2C)CC1,IJCRYUPICHRYQU-UHFFFAOYSA-N
-rxn:4:215908:222722,CS(=O)(=O)N1CCN(c2cncc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)c2)CC1,MZMRSLYWRGSTQO-UHFFFAOYSA-N
-rxn:4:215924:223811,CC1CCN(C(=O)c2cnn(C)c2-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)CC1,WJIYTDZEQRKBIX-UHFFFAOYSA-N
-rxn:4:215955:223992,Cc1ccc(-c2cnccc2N2CCC(N(C)C)CC2)cc1S(=O)(=O)N1CCN(C)CC1,RESJTJNKJDBUEA-UHFFFAOYSA-N
-rxn:4:215961:222826,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2cccc(S(=O)(=O)N3CCNCC3)c2)CC1,VNOBWFQZXVYUKM-UHFFFAOYSA-N
-rxn:4:215970:223491,CSc1ncc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c(N2CCC3(CC2)OCCO3)n1,MHYXMALNKDRWFV-UHFFFAOYSA-N
-rxn:4:216221:223602,CC(=O)N1CCN(c2nc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3s2)CC1,LUIRPEBGFODYOE-UHFFFAOYSA-N
-rxn:4:216288:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)N4C5CCC4c4cncnc4C5)o3)c(F)c2)CC1,JVPUABFURRNXGH-UHFFFAOYSA-N
-rxn:4:216292:223533,Cc1nnc2n1-c1sc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c(Cc3ccccc3)c1COC2,RVAXPKGYELNKEE-UHFFFAOYSA-N
-rxn:4:216356:226276,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC)c(CN(C)C)c4)ccc2OC32CCN(C)CC2)cc1,ZXNVJALDVTUDHI-UHFFFAOYSA-N
-rxn:4:217889:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnc(N4C5CCC4CC(=C4CC4)C5)nc3)c2)CC1,JNTYBUYUKJSODT-UHFFFAOYSA-N
-rxn:4:218580:224733,Cc1noc(C)c1CCC(=O)N1CCC(Oc2ncc(-c3ccc(OC(F)F)c(OC4CCC4)c3)cn2)C1,CTHKOBDESYMHBZ-UHFFFAOYSA-N
-rxn:4:218610:223960,CCN1CCN(C(=O)c2cc(-c3cncc(C(=O)N4CC(c5nc(Cc6ccccc6OC)no5)C4)c3)ccc2F)CC1,IBBKPEUENKENHY-UHFFFAOYSA-N
-rxn:4:218655:222863,CCCCNC(=O)c1cc(-c2cnc(OCC3CCN(C(=O)c4cn(C)c(=O)cc4OC)CC3)nc2)ccc1Cl,KZWAVVYVCOFNMI-UHFFFAOYSA-N
-rxn:4:218656:224665,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(F)cc3CN3CCN(C)CC3)cn2)C1,LPIMIRUMKWMJIC-UHFFFAOYSA-N
-rxn:4:218656:225804,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCC4)c(F)c3)cn2)C1,FCJCUMAKMHWYBQ-UHFFFAOYSA-N
-rxn:4:218663:225984,CN(C)c1ccc(C(=O)N2CCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)CC2)cc1,VREZFOWEYPKUQE-UHFFFAOYSA-N
-rxn:4:218668:224584,CC1CCN(C(=O)c2cccc(-c3cccnc3OC3CCN(C(=O)CN4CCN(c5ccccc5)C4=O)C3)c2)CC1,KGQPKSYPULBZCA-UHFFFAOYSA-N
-rxn:4:218668:226746,CCc1cnc(C(F)(F)F)cc1-c1cccnc1OC1CCN(C(=O)CN2CCN(c3ccccc3)C2=O)C1,KCDUBWQFXQSDAQ-UHFFFAOYSA-N
-rxn:4:218695:224488,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(-c4ccc(C(=O)N(C(C)C)C(C)C)cc4)c3C)CC2)cc1,JRWGCDDLSKWXSL-UHFFFAOYSA-N
-rxn:4:218705:223812,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3)n[nH]2)CC1,BHPBCBYLAXFILP-UHFFFAOYSA-N
-rxn:4:218709:225898,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)n[nH]3)CC2)c1,GQFANGZEOVLGBI-UHFFFAOYSA-N
-rxn:4:218749:224179,CN1CCN(CCOc2ccc(-c3cnc(OCC4CCCN(C(=O)Cn5ccc6ccccc65)C4)nc3)cc2)CC1,WXQGSQPHGFRGHT-UHFFFAOYSA-N
-rxn:4:218754:225998,COC(=O)c1cc(-c2csc3c(=O)n(C4CCN(C(=O)OC(C)(C)C)CC4)c(=O)n(CC#N)c23)cc([N+](=O)[O-])c1,OHYSQUKQMJNLBU-UHFFFAOYSA-N
-rxn:4:218755:224121,CSc1ccc(-c2cc3c(s2)c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n3CC#N)cc1OCc1ccccc1,VSAZHOKBUBYPDY-UHFFFAOYSA-N
-rxn:4:218824:225157,CN(CC1CN(c2ncc(-c3cccc(C(=O)N4CCSCC4)c3)cn2)C1)S(=O)(=O)C1CC1,DXPORUWNEJXFNX-UHFFFAOYSA-N
-rxn:4:218867:223170,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCNC4)nc3)c2)no1,CLFVHNSOFUKURK-UHFFFAOYSA-N
-rxn:4:218867:226141,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccccc3OC3CCCC3)c2)no1,DMSQMDWORFQYQV-UHFFFAOYSA-N
-rxn:4:218867:226691,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(Cl)c(N4CCCC4)c3)c2)no1,KSYYCDKPKXDISK-UHFFFAOYSA-N
-rxn:4:218882:224017,O=C(c1ccccn1)N1CCCC(COc2ncc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)cn2)C1,KQJJXRSEEMPVKE-UHFFFAOYSA-N
-rxn:4:218883:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cccnc5)C4)nc3)c2)C1,KHZFTEJRVHLWCY-UHFFFAOYSA-N
-rxn:4:218885:223945,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,GQNMJFLSABPUDX-UHFFFAOYSA-N
-rxn:4:218886:223753,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4scnc4C)C3)nc2)cc1OCCCN1CCN(C)CC1,HYZYNCLCSXYCLI-UHFFFAOYSA-N
-rxn:4:218887:224325,Cc1oncc1C(=O)N1CCC(COc2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,NVYUGFZACJEAFT-UHFFFAOYSA-N
-rxn:4:218903:227116,Cc1c(Cl)cc(C2CC2)cc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1,NZXCICLZYCJCJV-UHFFFAOYSA-N
-rxn:4:218968:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)c3)cc2)CC1,NTOPBSQYACEHRQ-UHFFFAOYSA-N
-rxn:4:218995:222833,Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(-c4cccc(NC(=O)CCC(C)C)c4)o3)CC2)n1,IFSBLFQMBJFETP-UHFFFAOYSA-N
-rxn:4:219048:224101,CC1CCN(CCOc2cccc(-c3ccc(S(=O)(=O)N4CCC(N(c5ccncn5)C5CC5)CC4)cc3)c2)CC1,PHUAVAFQAIGIPH-UHFFFAOYSA-N
-rxn:4:219050:225166,O=C(c1ccc(-c2ccc(-c3csc(N4CCN(c5ccc(C(F)(F)F)cc5[N+](=O)[O-])CC4)n3)cc2)cc1F)N1CCCC1,FRUJQSUFCODQOB-UHFFFAOYSA-N
-rxn:4:219124:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1cnc(OC2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)nc1,LQEWHZUZIOVVAZ-UHFFFAOYSA-N
-rxn:4:219163:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(CSc4nc(CC(C)C)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,UPEMDAWEGWQQMK-UHFFFAOYSA-N
-rxn:4:219175:222758,Cc1cc(-c2ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N(C)C5CCCCC5)cc4n3)cc2)ccc1NC(=O)OC(C)(C)C,GWYSSAWYEUWPTF-UHFFFAOYSA-N
-rxn:4:219175:223044,CC(C)NC(=O)c1ccc(-c2ccc(-c3cc(C(F)(F)F)n4nc(C(=O)N(C)C5CCCCC5)cc4n3)cc2)cc1F,ZOTHHHWIRDMRMH-UHFFFAOYSA-N
-rxn:4:219244:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2ncnn2C2CN(C(=O)OC(C)(C)C)C2)cc1,NLRVOUXFBCJRJC-UHFFFAOYSA-N
-rxn:4:219354:223590,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cnc(N2CCC(N(C)S(=O)(=O)C3CC3)C2)nc1,GPXRKZOLQUNFAX-UHFFFAOYSA-N
-rxn:4:219365:222447,COc1ccc2c(c1-c1cncc(C(=O)N3CCCC(Oc4ncc(F)cn4)C3)c1)N=C(NC(=O)OC(C)(C)C)C2,XAKNRCSMWIZEHL-UHFFFAOYSA-N
-rxn:4:219372:224286,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccc(OCCN3CCOCC3)c(Cl)c2)CC1,GMBQKTTZHBKLGU-UHFFFAOYSA-N
-rxn:4:219375:222849,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc(C4CCNCC4)c(C#N)c3)nn2)C1,ZDKFWLVVBHMSLT-UHFFFAOYSA-N
-rxn:4:219384:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)c2Cl)CC1,WQDGYZSELCDEOL-UHFFFAOYSA-N
-rxn:4:219390:224416,N#Cc1cc(-c2cnc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cnc1N1CCN(C(=O)c2ccccc2)CC1,ZYUJHCBPWLKCQU-UHFFFAOYSA-N
-rxn:4:219414:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C#N)c3)c2Cl)CC1,ZVRKCBMZHFNFNH-UHFFFAOYSA-N
-rxn:4:219462:222915,O=C(NC1=NCCS1)c1ccc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)cc1,DMRDCGYKGFGNSN-UHFFFAOYSA-N
-rxn:4:219471:227480,CCCOc1nccc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)c1Cl,CVERLFVMHQWZKF-UHFFFAOYSA-N
-rxn:4:219478:224829,COC(=O)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)c4nncn4C)CC3)c2)cc1OC(F)(F)F,FPCWBGHTNJZTPI-UHFFFAOYSA-N
-rxn:4:219536:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)o1,AKNOANHPXZHLGF-UHFFFAOYSA-N
-rxn:4:219540:224669,Cc1cc(N(C)C2CCN(C(=O)c3ccccc3-c3ccc(CN4CCN(C)CC4)cc3F)CC2)ncn1,MVWVEIXMBMYKHU-UHFFFAOYSA-N
-rxn:4:219545:223812,O=C(c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)o1)N1CCCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,YRCSMRFRVZYTPE-UHFFFAOYSA-N
-rxn:4:219562:225156,O=C(c1ccc(F)c(-c2cncc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)c1)N1CCCC1,XMGMVOBWEWYRGK-UHFFFAOYSA-N
-rxn:4:219562:225674,O=C(c1cncc(-c2cnc(C3CCCCC3)cc2F)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,YTHJUJHCFLFFKB-UHFFFAOYSA-N
-rxn:4:219565:223139,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(C5CCNCC5)nc4)cc3)CC2)n1,JUZKMTQDFIJFRD-UHFFFAOYSA-N
-rxn:4:219565:223142,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCNC5)nc4)cc3)CC2)n1,KORSTPKGZDUHGZ-UHFFFAOYSA-N
-rxn:4:219591:223527,Cn1nc2cc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1C(=O)N1CC(Oc2nccs2)C1,DBEZYICFPSWTQG-UHFFFAOYSA-N
-rxn:4:219605:224403,C#CCCN1CCN(c2ncnc3ccc(-c4cnc(N5CCOCC5)c(C(F)(F)F)c4)cc23)CC1,COACFECBXNFCHZ-UHFFFAOYSA-N
-rxn:4:219630:224462,CCS(=O)(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cc23)CC1,WWLMIWTWRRWMNC-UHFFFAOYSA-N
-rxn:4:219639:224718,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCN5CCOCC5)nc4)cn3n2)C1,DWVNHRYTVIVDLI-UHFFFAOYSA-N
-rxn:4:219750:224686,COc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2F)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,BOXHJSOZRMWHEN-UHFFFAOYSA-N
-rxn:4:219750:226512,COc1ccc(-c2ccncc2OCC2CCO2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,HQBRXTCAEKJUAP-UHFFFAOYSA-N
-rxn:4:219853:224199,CC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)cc2)CC1,XCWJEMJFHVPFJC-UHFFFAOYSA-N
-rxn:4:219853:224627,CC(=O)N1CCN(c2ncc(-c3ccc(C(=O)N4CC(N(C)C)C4)cc3)cc2C#N)CC1,CGTXNFDAFVNURE-UHFFFAOYSA-N
-rxn:4:219853:224658,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)cc2)CC1,NDZFSOZLQBORGV-UHFFFAOYSA-N
-rxn:4:219853:224746,CC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)cn2)CC1,JQXKWPIPHSFWQZ-UHFFFAOYSA-N
-rxn:4:219907:223916,Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cc1,VEKGUSYVMFSQOD-UHFFFAOYSA-N
-rxn:4:219975:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)cc2F)CC1,OBKDUUAANRHFBQ-UHFFFAOYSA-N
-rxn:4:220158:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccccc1S(=O)(=O)N1CC2CN(c3cnccn3)CC2C1,QAUHXMSCHCEPLR-UHFFFAOYSA-N
-rxn:4:220205:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)ncc4c3)c2Cl)CC1,GGOWNDRVUSQCIQ-UHFFFAOYSA-N
-rxn:4:220225:224960,COc1ccc(-c2ccc3ncnc(N4CCCC(C(=O)N5CCOCC5)C4)c3c2)cc1OC1CCCC1,RMYNZYYJATZBBG-UHFFFAOYSA-N
-rxn:4:220430:225218,CC1CCCN(c2ncc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)cc2Cl)C1,XCMKPYWDBSUFLG-UHFFFAOYSA-N
-rxn:4:220533:224973,CN1CCN(Cc2cccc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)c2)CC1,SAMAEVJZHZZAPP-UHFFFAOYSA-N
-rxn:4:221088:224992,O=C1CCN(Cc2ccccc2-c2cnc(OCC3CCCN(Cc4nnc(C(F)(F)F)o4)C3)nc2)CC1,NAHVXXRGBKFREX-UHFFFAOYSA-N
-rxn:4:221112:226501,CCOC(=O)c1cc(-c2ccc(OCC)c(S(=O)(=O)N3CCN(c4nc(C)cc(N(C)C)n4)CC3)c2)cnc1C,BLGDYNMZYZKZNM-UHFFFAOYSA-N
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-rxn:4:221152:223787,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)C1,JPXIHWGQUUPFTK-UHFFFAOYSA-N
-rxn:4:221194:223169,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cnc(C5CCNCC5)nc4)cn3)CC2)cn1C,DETQBOYRSKXSFS-UHFFFAOYSA-N
-rxn:4:221194:225947,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cnc(N5CCN(C)CC5)nc4)cn3)CC2)cn1C,MXDWZNUBCGNGAH-UHFFFAOYSA-N
-rxn:4:221243:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(-c3cc4c(=O)n(CC(=O)N(C)C5CCCCC5)ncn4n3)cc2)cc1,OHMAFFZYAHIRDO-UHFFFAOYSA-N
-rxn:4:221245:223945,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCCN6CCOCC6)c(F)c5)c4)CC3)nn2c1C,AYPMRXUTTLTQID-UHFFFAOYSA-N
-rxn:4:221249:224666,CN1CCN(Cc2cc(-c3cnn4cc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cnc34)ccc2F)CC1,PPGISYPFSSFKBB-UHFFFAOYSA-N
-rxn:4:221307:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(c4nccnc4C#N)C3)c(F)cc2C)CC1,XGTCBRDTEVBLJL-UHFFFAOYSA-N
-rxn:4:221369:223787,CN1CCN(CCCOc2ccc(-c3cnc(OC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)cc2F)CC1,WYHAFZKAYFTDNE-UHFFFAOYSA-N
-rxn:4:221428:222967,CC(C)CNC(=O)c1cccc(-c2ccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)c1,OOOGJYMWZPWFHC-UHFFFAOYSA-N
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-rxn:4:221441:222927,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(-c4cnc(N5CCCCC5O)nc4C)c3)CC2)n1,ORILSUVCPSCKOB-UHFFFAOYSA-N
-rxn:4:221444:223136,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3ccncc3C3CCCNC3)CC2)n1,QHXUQMNCDBHTOH-UHFFFAOYSA-N
-rxn:4:221450:223769,Cc1cc(-n2nnc(C(=O)N3CCN(c4ccccc4C)CC3)c2C)ccc1-c1cc2cccc(C#N)c2n1C(=O)OC(C)(C)C,QGTSMYZATVBXMS-UHFFFAOYSA-N
-rxn:4:221456:222770,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CCCC5)c(Cl)c4)cc3)CC2)n1,QVMJXZDLCVINBM-UHFFFAOYSA-N
-rxn:4:221456:223242,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCNC5)c4)cc3)CC2)n1,JUXINQCAUFUTKG-UHFFFAOYSA-N
-rxn:4:221456:227551,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)ccc1Cl,PYBDRFIFLADPOS-UHFFFAOYSA-N
-rxn:4:221515:225671,O=C(c1cncc(-c2cc(C3CCCCC3)ncc2F)c1)N1CC2CN(c3cc(C4CC4)ncn3)CC2C1,HBHBTQNMPFCQSD-UHFFFAOYSA-N
-rxn:4:221641:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)cc2[N+](=O)[O-])CC1,ICOIDHKXCMJEOH-UHFFFAOYSA-N
-rxn:4:221641:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)CC1,FXWATNZVNSCKOG-UHFFFAOYSA-N
-rxn:4:221728:223602,Cn1nc(C2CCN(c3nc4ccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5Cl)cc4s3)CC2)n(C2CC2)c1=O,DPYSXQXLOPPWJQ-UHFFFAOYSA-N
-rxn:4:221732:224198,CCN1CCN(Cc2ccc(-c3cncc(C(=O)N4CC5CN(c6nc7ccccc7n6C)CC5C4)c3)c(F)c2)CC1,FKCRZOSSCBWONK-UHFFFAOYSA-N
-rxn:4:221789:223978,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(C(=O)OC(C)(C)C)c(C(F)(F)F)c4)cc3)n(C)c2=O)cc1,YQJBKJDOXOCCMS-UHFFFAOYSA-N
-rxn:4:221943:223639,O=C1CCCN1Cc1cn(C2CN(C(=O)c3cncc(-c4ccc(N5CCN(Cc6ccccc6)CC5)nc4)c3)C2)nn1,ZOLGWAGBVMIZBN-UHFFFAOYSA-N
-rxn:4:221952:223693,Cc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(-c5cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c5F)cc4)CC3)nn2)n1,DIAMMHHWILABQV-UHFFFAOYSA-N
-rxn:4:221960:224664,CN1CCN(Cc2cc(F)cc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C7CC7)no6)nn5)CC4)c3)c2)CC1,NDKNOLHCUUPPEX-UHFFFAOYSA-N
-rxn:4:221965:225395,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CC6)cc(C(C)(C)C)c5)cc4)CC3)nn2)CC1,YJFZKSHVVNTKQB-UHFFFAOYSA-N
-rxn:4:221980:225976,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccnc(N6CCOCC6)c5F)c4)sc3n2)CC1,JZXBETWZAUNDPK-UHFFFAOYSA-N
-rxn:4:221986:226013,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(OC(F)(F)F)ccc3SC)cc2)CC1,MVYHHJCKGWFCEQ-UHFFFAOYSA-N
-rxn:4:221996:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(c5nccnc5C#N)C4)c3)c(F)cc2C)CC1,BGTXTFAMXKTHMV-UHFFFAOYSA-N
-rxn:4:222062:226843,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)C(F)(F)F)nc4)cc3)CC2)n1,IZVIGZZKMOZWIV-UHFFFAOYSA-N
-rxn:4:222062:229079,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4csc(C5CC5)n4)cc3)CC2)n1,GFXCFCRBGZAGBX-UHFFFAOYSA-N
-rxn:4:222108:224991,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cc(C7CC7)nc(N7CCCC7)c6)cc5)no4)C3C2=O)cc1F,MRPIUCUQMRPQDH-UHFFFAOYSA-N
-rxn:4:222252:222654,CSc1ncc(-c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c(N(C)C2CN(c3nccnc3C#N)C2)n1,DCVVUNDTFJFTFQ-UHFFFAOYSA-N
-rxn:4:222280:223699,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(-c6ccc(S(=O)(=O)N7CCOCC7)cc6C(F)(F)F)c5)CC4)ncnc32)cc1,CGWGYGOYADXUEW-UHFFFAOYSA-N
-rxn:4:222288:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(Cl)c(C(=O)N4CCN(c5cc(-n6cncn6)ncn5)CC4)c3)cn2)CC1,NDGZPSSAXJDJKT-UHFFFAOYSA-N
-rxn:4:222289:223834,Cc1cc(-c2cnc(N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,OUZFVOJDMFNWOM-UHFFFAOYSA-N
-rxn:4:222378:223712,CCn1cnc2c(N3CCN(c4ncc(-c5ccc(OC)c(C67CC8CC(CC(C8)C6)C7)c5)cn4)CC3)ncnc21,IDULIEWNMGHMNR-UHFFFAOYSA-N
-rxn:4:222523:175498,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(SCC(=O)C(C)(C)C)cc2)c(C(F)(F)F)c1,SAHHZHPRQDQGFV-UHFFFAOYSA-N
-rxn:4:222523:176451,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(OS(=O)(=O)C(F)(F)F)c(Cl)cc2F)c(C(F)(F)F)c1,NBAFKSKSRYZBIF-UHFFFAOYSA-N
-rxn:4:222523:185525,CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc1,XWCZUYZYUYVQQJ-UHFFFAOYSA-N
-rxn:4:222523:186196,CONS(=O)(=O)c1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)ccc1OC,RNQXJHNJUVSAFT-UHFFFAOYSA-N
-rxn:4:222523:189321,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(Cl)c(C(=O)OC(C)(C)C)n2)c(C(F)(F)F)c1,FOPGIUYETOPMNV-UHFFFAOYSA-N
-rxn:4:222523:189688,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(F)ccc2/C=N/S(=O)C(C)(C)C)c(C(F)(F)F)c1,DOUVZAIGRYRVEB-UVHMKAGCSA-N
-rxn:4:222523:205953,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccnc2N2CC(C(F)(F)F)C2)c(C(F)(F)F)c1,BJIHLMSBGGMUNK-UHFFFAOYSA-N
-rxn:4:222523:215064,CC(C)(C)NS(=O)(=O)c1ccc(-c2nc3c([nH]2)CN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c1,RKTWOYDSEIANLZ-UHFFFAOYSA-N
-rxn:4:222581:199742,CC(C)NS(=O)(=O)c1ccc(-c2ccccc2CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12,CDMKALZPDGTEEX-UHFFFAOYSA-N
-rxn:4:222611:194649,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2c(c1)C=C(C(=O)N1CCOCC1)C=CO2,ROKLQXNEDUONGW-UHFFFAOYSA-N
-rxn:4:222613:184707,CCCNS(=O)(=O)c1ccc(-c2ncccc2OCC(=O)OC(C)(C)C)c(C(F)(F)F)c1,KFAPRJPBYVDJFF-UHFFFAOYSA-N
-rxn:4:222741:174644,COc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(C6CC6)nc(C6CCCNC6)c5)cc4)ccc3C2=O)cc1,MOLPGIGIIJEXMJ-UHFFFAOYSA-N
-rxn:4:222811:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2cc(Cl)nc(NC(=O)OC(C)(C)C)c2)cn1,AMXLWRPJDCGMQX-UHFFFAOYSA-N
-rxn:4:222821:178585,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc3c(c2)C(O[Si](C)(C)C(C)(C)C)CCO3)ccc1F,DWHVPHRVYPZMHG-UHFFFAOYSA-N
-rxn:4:222882:174528,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc(F)ccc1C(=O)NC(C)(C)C,CKSROECQXFFKNF-UHFFFAOYSA-N
-rxn:4:222882:184093,CC(C)c1ccc(CN(C(=O)c2ccc(-c3cc(F)ccc3C(=O)NC(C)(C)C)cc2)C2CCS(=O)(=O)C2)cc1,HHHOFFYOORYKOL-UHFFFAOYSA-N
-rxn:4:222882:185375,CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(F)ccc2C(=O)NC(C)(C)C)CC1,NMQFWEOECKZJPD-UHFFFAOYSA-N
-rxn:4:222901:185326,CCCS(=O)(=O)NCc1ccc(-c2cccc(OC(C)C)c2CN2CCC(C(F)(F)F)CC2)cc1,UFUPPVLRHVDYQF-UHFFFAOYSA-N
-rxn:4:223102:187554,CC(C)(C)NS(=O)(=O)c1sccc1-c1cccc(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,RUXSPMOMSLYUCX-UHFFFAOYSA-N
-rxn:4:223102:187557,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc([C@H]2CCCC(=O)N2C(=O)OC(C)(C)C)cc1,UKQGWKKDTWKGBZ-LJQANCHMSA-N
-rxn:4:223481:194706,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4ccn([Si](C)(C)C(C)(C)C)c4c3)c(F)c2)CC1,XMXUTEPJTTVBHA-UHFFFAOYSA-N
-rxn:4:223531:179474,Cc1ccc(S(=O)(=O)C(F)F)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,WHLDQNDVYXYTTM-UHFFFAOYSA-N
-rxn:4:223570:184966,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(S(=O)(=O)N(CC(F)(F)F)C(C)(C)C)cc3)c(F)ncc21,IICUAKYQNGNMJI-UHFFFAOYSA-N
-rxn:4:223570:187416,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3C3CCCN3C(=O)OC(C)(C)C)c(F)ncc21,IDICRYGZUVZBAK-UHFFFAOYSA-N
-rxn:5:176860:222989:223065,COC(=O)c1c(-c2ccc(N3CCNCC3)cc2C)ccc(OC)c1-c1ccc(N2CCNCC2)cc1F,ZJKIQCWVSWVOMD-UHFFFAOYSA-N
-rxn:5:176860:223010:222989,COC(=O)c1c(-c2ccc(C3(O)CCOCC3)cc2)ccc(OC)c1-c1ccc(N2CCNCC2)cc1C,NQZFRHINKPYDME-UHFFFAOYSA-N
-rxn:5:176860:223065:225982,COC(=O)c1c(-c2ccc(N3CCNCC3)cc2F)ccc(OC)c1-c1cnc(N2CCOCC2)cc1F,UWPMYNHFPIMYCI-UHFFFAOYSA-N
-rxn:5:176860:225982:223065,COC(=O)c1c(-c2cnc(N3CCOCC3)cc2F)ccc(OC)c1-c1ccc(N2CCNCC2)cc1F,QPGXDPZYAYYLEL-UHFFFAOYSA-N
-rxn:5:177177:222989:223065,COC(=O)Cc1cc(C)c(-c2ccc(N3CCNCC3)cc2C)cc1-c1ccc(N2CCNCC2)cc1F,WOQFUTSPTGQQTA-UHFFFAOYSA-N
-rxn:5:177184:225833:226661,CCOC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)ccc(C)c1-c1ccnc(N2CCCCC2)c1F,SVGIXKMMJQXTOI-UHFFFAOYSA-N
-rxn:5:177184:225849:226661,CCOC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)ccc(C)c1-c1cnc(N2CCCCC2)cc1F,UHTPFNZAPLQLBB-UHFFFAOYSA-N
-rxn:5:177185:223061:225976,CC(C)OC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1ccnc(N2CCOCC2)c1F,YSJHDCWNRXUFQH-UHFFFAOYSA-N
-rxn:5:177190:223054:223135,CCS(=O)(=O)Cc1ccc(-c2cccnc2C2CCCNC2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,CYYWBGRPWQXYII-UHFFFAOYSA-N
-rxn:5:177190:223139:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2ccc(C3CCNCC3)nc2)c1,SBRSAYUSGXQRQL-UHFFFAOYSA-N
-rxn:5:177191:222998:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4cc(F)cc(C5CCCNC5)c4)c3)c2F)CCC1,SFADSSYMWUYBCI-UHFFFAOYSA-N
-rxn:5:177191:225602:223000,N#CC1(c2ccc(F)c(-c3cc(-c4ccc(C5CCCNC5)c(F)c4)ccc3CC(=O)C3CC3)c2)CCC1,DAOPVFDAXIJIGC-UHFFFAOYSA-N
-rxn:5:177193:223062:225800,CCOC(=O)c1cc(C)c(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(C(=O)N2CCSC2)cc1,LPKIJUMKOZMNTI-UHFFFAOYSA-N
-rxn:5:177449:223002:225871,COc1cc(-c2ccc(C3CCNCC3)cc2F)c(-c2cccc(N3C(=O)C=CC3=O)c2)cc1OC(C)C,FZZVQBOMSCFVOO-UHFFFAOYSA-N
-rxn:5:177733:223062:225980,CC(C)(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)cc(-c2cc(N3CCOCC3)ncc2F)c1,JERDUUDQANWQGM-UHFFFAOYSA-N
-rxn:5:177734:223130:223062,Cc1cc(-c2ccc(CN3CC(O)C3)cc2)c(-c2cnc(C3CCNCC3)cc2F)cc1C(=O)OC(C)C,NPVPSRFUFMSUSS-UHFFFAOYSA-N
-rxn:5:177736:225438:225978,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc(N3CCOCC3)nc2F)cc1)N1CCCC1,NQBZUZYAIGVRJI-UHFFFAOYSA-N
-rxn:5:177736:225982:223064,CC(C)(C)OC(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2cnc(N3CCOCC3)cc2F)c1,VNTCESIYKMVAIK-UHFFFAOYSA-N
-rxn:5:177737:225440:225470,CC1CCN(c2ccc(-c3ccc(-c4ccc(C5(C#N)CCCC5)cc4)c(C(=O)OC(C)(C)C)c3)cc2)CC1,RULZYBSNCICOMK-UHFFFAOYSA-N
-rxn:5:177739:225499:226144,CC(C)(C)OC(=O)c1cccc(-c2ccc(C3CCCCC3)cc2F)c1-c1ccc(C#C[Si](C)(C)C)cc1,MKSUOOQNIHKUCZ-UHFFFAOYSA-N
-rxn:5:177850:225607:228971,CCOc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1csc(C(F)(F)F)c1,BDKBWEITPKZIFC-UHFFFAOYSA-N
-rxn:5:177850:227299:222981,CCOc1ccc(-c2cc(F)cc(CN(C)C)c2)c(C2OCCO2)c1-c1ccnc(NC2CCCCC2)c1,BCUBDHNCZYXUDH-UHFFFAOYSA-N
-rxn:5:177850:228140:225794,CCOc1ccc(-c2ccc(C(C)N(C)C)s2)c(C2OCCO2)c1-c1cnc(OC2CCCCC2)nc1,UTZYBGGUOQNOAW-UHFFFAOYSA-N
-rxn:5:177851:225677:227349,CCOc1c(-c2ccc(C3CCCCC3)nc2F)cc(C2OCCO2)cc1-c1cc(C)cc(OC)c1OC,BGUPYXXXFYDMEM-UHFFFAOYSA-N
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-rxn:5:177891:223135:223011,CC(C)Oc1cc2cn[nH]c2cc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cccnc1C1CCCNC1,GQCZFXXNWQYWTK-UHFFFAOYSA-N
-rxn:5:177891:223200:223289,CNS(=O)(=O)c1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(C2CCNC2)cc1,RUIAWRQFLYLYLZ-UHFFFAOYSA-N
-rxn:5:177891:223240:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1ccc(C2CCNC2)nc1,KZEBUTOJIDTOQE-UHFFFAOYSA-N
-rxn:5:177891:225784:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1ccc(CN2CCOCC2)nc1,IXXHMOWWIIVXHG-UHFFFAOYSA-N
-rxn:5:177891:225784:228623,O=C(SC1CS(=O)(=O)CC1c1sccc1C1CCC1)c1ccccc1-c1ccc(CN2CCOCC2)nc1,ASZIXVRBZGVPMK-UHFFFAOYSA-N
-rxn:5:177891:225799:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1cncc(OC2CCOCC2)c1,YLCPNODVQOVFHI-UHFFFAOYSA-N
-rxn:5:177891:226323:222404,O=C1NC(=O)C(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(OC4CCCC4)nc3)cc2)N1,ANMJNEWCWRLNPN-UHFFFAOYSA-N
-rxn:5:177891:226338:223295,CS(=O)(=O)Nc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(OC3CCCC3)c2)c1,NZVWCKKGNDWDRX-UHFFFAOYSA-N
-rxn:5:177891:226572:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1cnc(OC2CCCC2)nc1,IOPSEBMIOIJTTP-UHFFFAOYSA-N
-rxn:5:177891:226583:228878,O=C(SC1CS(=O)(=O)CC1c1cnn(C2COC2)c1)c1ccccc1-c1ccc(CN2CCOCC2)s1,KFOPGXIEZWFZAH-UHFFFAOYSA-N
-rxn:5:177891:227437:227702,COC(=O)c1cnc(F)c(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCCO3)c2)c1,HPFQQBVKFQGPLK-UHFFFAOYSA-N
-rxn:5:177891:227517:227295,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCC2)c1)c1ccccc1-c1ccc(OC2COC2)nc1,UMBGUYXHORQTSD-UHFFFAOYSA-N
-rxn:5:177891:227517:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1ccc(OC2COC2)nc1,CKZNVLVOHRDPFJ-UHFFFAOYSA-N
-rxn:5:177891:228002:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1sccc1C1CCCC1,IMTUXXJWTSJNBS-UHFFFAOYSA-N
-rxn:5:177891:228965:225831,Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc([N+](=O)[O-])nc2)cnc1N1CCOCC1,TVAKACOJIILUOR-UHFFFAOYSA-N
-rxn:5:178120:226771:223190,CNS(=O)(=O)c1ccc(F)cc1-c1c(OCC2CCOCC2)cccc1-c1cc(F)c(F)cc1C(=O)OC,DBWXSOUEUJHNAA-UHFFFAOYSA-N
-rxn:5:178226:226067:223010,OC1(c2ccc(-c3cccc(OCC4CCCCC4)c3-c3ccc(C4=CCCCC4)cc3)cc2)CCOCC1,KFIPCJMFXUBUJA-UHFFFAOYSA-N
-rxn:5:178295:222405:223112,COC(=O)C1(c2cc(-c3c(C(C)C)ccc4[nH]ncc34)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,BOODAOBICNKQGG-UHFFFAOYSA-N
-rxn:5:178295:222405:229012,COC(=O)C1(c2cc(-c3sccc3C(C)C)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,HCSHEDCLXJNQJZ-UHFFFAOYSA-N
-rxn:5:178295:223065:228586,COC(=O)C1(c2cc(-c3cccnc3C(C)C)ccc2-c2ccc(N3CCNCC3)cc2F)CCC(=O)CC1,RLDIPGKSYDTRIJ-UHFFFAOYSA-N
-rxn:5:178295:225941:223312,COC(=O)C1(c2cc(-c3ccc(C4CNC4)cc3)ccc2-c2cnc(C3CC3)c(C(F)(F)F)c2)CCC(=O)CC1,DZCQYKDSTOKTME-UHFFFAOYSA-N
-rxn:5:178295:226910:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(C)(C)CC)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SJNBNWYXADESRT-UHFFFAOYSA-N
-rxn:5:178295:226916:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2cccc(C3=CCCC3)c2)CCC(=O)CC1,BPYVIRYCMQLGSI-UHFFFAOYSA-N
-rxn:5:178295:227309:227724,CCC(C)c1cc(-c2ccc(-c3cc(OC(F)F)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,PBVIBINNDOJSDB-UHFFFAOYSA-N
-rxn:5:178295:227524:227831,CCc1c(C)cc(-c2ccc(-c3cc(OC)c(C#N)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,NSYWSCJZKCSQDM-UHFFFAOYSA-N
-rxn:5:178295:227566:228435,COC(=O)C1(c2cc(-c3c(SC)ccc(F)c3F)ccc2-c2ccc(OC)c(F)c2OC)CCC(=O)CC1,PWWLOWACRREYTA-UHFFFAOYSA-N
-rxn:5:178295:227713:227870,COC(=O)C1(c2cc(-c3ccc4c(c3)C(=O)CC4)ccc2-c2cc(F)ccc2OC(F)F)CCC(=O)CC1,RDBHMLSJLGEEPW-UHFFFAOYSA-N
-rxn:5:178295:227759:227311,CCC(C)c1cc(F)c(-c2ccc(-c3c(F)cc(F)c(OC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,CNWBPBYSDQYWJR-UHFFFAOYSA-N
-rxn:5:178295:228388:226590,COC(=O)C1(c2cc(-c3ccc(OC4CCOC4)nc3)ccc2-c2cc(C(F)F)ncc2C)CCC(=O)CC1,JMMJYOBYNVKBGR-UHFFFAOYSA-N
-rxn:5:178295:228419:227362,CCOc1cc(C)cc(F)c1-c1ccc(-c2cc(F)c(SC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,GJGKUBUEWBYAMS-UHFFFAOYSA-N
-rxn:5:178295:228437:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(F)F)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,NLOXEZYWICTBGP-UHFFFAOYSA-N
-rxn:5:178295:228582:222404,COC(=O)C1(c2cc(-c3ccc(C4NC(=O)NC4=O)cc3)ccc2-c2cnccc2C(C)C)CCC(=O)CC1,KWBLTLHITYONSB-UHFFFAOYSA-N
-rxn:5:178295:228592:222405,COC(=O)C1(c2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2-c2cncc(C(C)C)c2)CCC(=O)CC1,YXQBVQFXNCFCGB-UHFFFAOYSA-N
-rxn:5:178313:225407:226183,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCCC3)cc2)c(-c2cnccc2C2CCCCC2)c1,ZZDRQCQHAUGVGL-UHFFFAOYSA-N
-rxn:5:178313:225498:227203,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCCC3)ccc2F)c(-c2ccc3c(c2)OCCCO3)c1,FSNMFADDOGHEOQ-UHFFFAOYSA-N
-rxn:5:178313:225499:223285,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCC3)cc2F)c(-c2ccccc2NS(C)(=O)=O)c1,INZHEPPAXYRNJT-UHFFFAOYSA-N
-rxn:5:178313:225666:227120,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(F)cc(N3CCCCC3)c2)c(-c2ccc(C3CCC3)cc2F)c1,XZRGCOZSVDJSRJ-UHFFFAOYSA-N
-rxn:5:178313:226067:225499,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3=CCCCC3)cc2)c(-c2ccc(C3CCCCC3)cc2F)c1,ZAZYPEGEZJNRAN-UHFFFAOYSA-N
-rxn:5:178313:226146:226182,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(SC3CCCC3)cc2)c(-c2cccnc2C2CCCCC2)c1,VGJJLMQGPWRECG-UHFFFAOYSA-N
-rxn:5:178313:227076:225453,CCC(C)c1ccc(F)c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cccc(SC3CCCCC3)c2)c1,GKDKVXRTGOHYJD-UHFFFAOYSA-N
-rxn:5:178313:227100:225407,Cc1cc(C2CC2)cc(F)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(C2CCCCCC2)cc1,VKKRAUIDMQCPFE-UHFFFAOYSA-N
-rxn:5:178313:227319:225450,CC(C)Cc1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc(C(=O)C3CCCC3)cc2)c(F)cn1,UZPJVNWMDXRSDV-UHFFFAOYSA-N
-rxn:5:178314:225394:225407,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCC3)cc(C3CC3)c2)ccc1-c1ccc(C2CCCCCC2)cc1,ROXRDCHBEDYRKL-UHFFFAOYSA-N
-rxn:5:178314:225450:227402,CC(C)(C)c1cc(-c2ccc(-c3ccc(C(=O)C4CCCC4)cc3)cc2O[Si](C)(C)C(C)(C)C)cc(F)n1,WBSYXGKQOVJWFW-UHFFFAOYSA-N
-rxn:5:178314:225498:227071,COCc1cc(C)c(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2O[Si](C)(C)C(C)(C)C)c(C)c1,VESCGANOGOBTSN-UHFFFAOYSA-N
-rxn:5:178314:225507:227311,CCC(C)c1cc(F)c(-c2ccc(-c3ccc4c(c3)CCC4C(=O)OC)cc2O[Si](C)(C)C(C)(C)C)cn1,PTQHOEBKNVFJBC-UHFFFAOYSA-N
-rxn:5:178314:225924:227052,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2ccc(SC(C)(C)C)cc2)c(O[Si](C)(C)C(C)(C)C)c1,ULASGWMAIHLECL-UHFFFAOYSA-N
-rxn:5:178314:227119:226064,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCCCC3)cs2)ccc1-c1ccc(C2CCCCC2)cc1,ALTVFOXOQSJRIQ-UHFFFAOYSA-N
-rxn:5:178315:225498:226146,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCC3)cc2)cc(-c2cc(C3CCCCC3)ccc2F)c1,FQBWTWLHDOSQLW-UHFFFAOYSA-N
-rxn:5:178467:222960:223352,CCOC(=O)C1=Cc2cc(-c3ccc(NC(C)C)nc3)cc(-c3cc(C)cc(C4CCNCC4)c3)c2OC1,KCYBAUANPCYCHG-UHFFFAOYSA-N
-rxn:5:178467:222981:227909,CCOC(=O)C1=Cc2cc(-c3ccnc(C(C)CC)c3)cc(-c3ccnc(NC4CCCCC4)c3)c2OC1,IRRVMLVEZCMAFY-UHFFFAOYSA-N
-rxn:5:178467:223058:227506,CCOC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,CETZCEAECDJXMR-CSKARUKUSA-N
-rxn:5:178467:223064:228138,CCOC(=O)C1=Cc2cc(-c3ccc(CC#N)c(F)c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,IQQHUBSLOJNMDY-UHFFFAOYSA-N
-rxn:5:178467:225671:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3cc(C4CCCCC4)ncc3F)c2OC1,BSPONUHZGMWLPF-UHFFFAOYSA-N
-rxn:5:178467:225674:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3cnc(C4CCCCC4)cc3F)c2OC1,IKAGMDLRKBPSQZ-UHFFFAOYSA-N
-rxn:5:178467:225677:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3ccc(C4CCCCC4)nc3F)c2OC1,KNTILIJAYPOAEK-UHFFFAOYSA-N
-rxn:5:178467:225833:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,VMBSUGPMUDJRFB-UHFFFAOYSA-N
-rxn:5:178467:225849:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,BMIMORRXPNQFLO-UHFFFAOYSA-N
-rxn:5:178467:225881:228097,CCOC(=O)C1=Cc2cc(-c3cncc(CN(C)C)c3)cc(-c3ccc(C4CCOCC4)nc3F)c2OC1,GCCOPZZAAHCBIO-UHFFFAOYSA-N
-rxn:5:178467:225980:223066,CCOC(=O)C1=Cc2cc(-c3ccc4c(C(=O)OC)n[nH]c4c3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,XXGXWQKEAUAXDG-UHFFFAOYSA-N
-rxn:5:178467:226331:223240,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNC4)nc3)cc(-c3ccc(C4(C#N)CC4)cc3F)c2OC1,CGNRFFMIIIMRGH-UHFFFAOYSA-N
-rxn:5:178467:226583:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3ccc(CN4CCOCC4)s3)c2OC1,XJKMSBBHNSJSEB-UHFFFAOYSA-N
-rxn:5:178467:226644:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cncc(N4CCOCC4)c3)c2OC1,OQLGCSOUURQVNT-UHFFFAOYSA-N
-rxn:5:178467:226661:225982,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cc(N4CCN(C)CC4)cs3)c2OC1,SNFVJTLBFVQZQU-UHFFFAOYSA-N
-rxn:5:178467:226664:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,LVBJCEMRWTWMBI-UHFFFAOYSA-N
-rxn:5:178467:226794:227524,CCOC(=O)C1=Cc2cc(-c3cc(OC)c(C#N)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,AFTVJXCMNSGICA-UHFFFAOYSA-N
-rxn:5:178467:226946:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3ccc4c(c3)CCN(C)C4)c2OC1,SZLQKNAMKUYAHF-UHFFFAOYSA-N
-rxn:5:178467:227020:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cncc(C#CC4CC4)c3)c2OC1,PYLKTRQBHLLHKU-UHFFFAOYSA-N
-rxn:5:178467:227518:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3ccc(OC)c(C#N)c3F)c2OC1,CDLMYLHXCSVRCU-UHFFFAOYSA-N
-rxn:5:178467:227518:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccc(OC)c(C#N)c3F)c2OC1,MISRFFKTXRSBHR-UHFFFAOYSA-N
-rxn:5:178467:227518:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3ccc(OC)c(C#N)c3F)c2OC1,FGQMWOQEOXPTNU-UHFFFAOYSA-N
-rxn:5:178467:227518:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(OC)c(C#N)c3F)c2OC1,VZSCNJYTQBEMCR-UHFFFAOYSA-N
-rxn:5:178467:228097:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cncc(CN(C)C)c3)c2OC1,VDWVZYQKGLIKOJ-UHFFFAOYSA-N
-rxn:5:178467:228097:225671,CCOC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ncc3F)cc(-c3cncc(CN(C)C)c3)c2OC1,AWNKBCNVABJBIF-UHFFFAOYSA-N
-rxn:5:178467:228097:225674,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCCC4)cc3F)cc(-c3cncc(CN(C)C)c3)c2OC1,CZZIEMZZTIDWHJ-UHFFFAOYSA-N
-rxn:5:178467:228097:225677,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCCC4)nc3F)cc(-c3cncc(CN(C)C)c3)c2OC1,OKLZYSMZPQSMBO-UHFFFAOYSA-N
-rxn:5:178467:228097:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cncc(CN(C)C)c3)c2OC1,VMZBLVBWRQPRBF-UHFFFAOYSA-N
-rxn:5:178467:228097:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cncc(CN(C)C)c3)c2OC1,GUXUTQGJZHTXGK-UHFFFAOYSA-N
-rxn:5:178467:228097:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cncc(CN(C)C)c3)c2OC1,GFLOSGILOZJONC-UHFFFAOYSA-N
-rxn:5:178467:228653:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3cnn4c3CCCC4)c2OC1,RTPUIGAWJIQAFO-UHFFFAOYSA-N
-rxn:5:180267:225394:225925,CSc1cc(C(C)(C)C)cc(-c2cc(C3CCC3)cc(C3CC3)c2)c1-c1cc(S(=O)(=O)N(C)C)ccc1C,CUJHMYRVKDUXAZ-UHFFFAOYSA-N
-rxn:5:180267:225821:225924,CSc1cc(C(C)(C)C)cc(-c2ccc(C3CC3)c(C(F)(F)F)c2)c1-c1ccc(S(=O)(=O)N(C)C)cc1C,PZXJMYPXKKLFEP-UHFFFAOYSA-N
-rxn:5:180602:225980:225834,COC(=O)C1Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cc(N4CCOCC4)ncc3F)c2O1,KFVYYMHNKMHADT-UHFFFAOYSA-N
-rxn:5:180662:223062:227019,COC(=O)C1=Cc2cc(-c3cccc(C(C)(C)C#N)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,QOMMLUFVANNLQU-UHFFFAOYSA-N
-rxn:5:180662:223146:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3cccc(C4CNCCO4)c3)c2OC1,VYVGGPDHNAEDLF-UHFFFAOYSA-N
-rxn:5:180662:223173:227449,COC(=O)C1=Cc2cc(-c3ccc(C4CCOCC4)s3)cc(-c3ccc4c(c3)C(O)CS4(=O)=O)c2OC1,VMFJWZVRZMJUKQ-UHFFFAOYSA-N
-rxn:5:180662:223294:226331,COC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)cc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,XFWWSHVOFXCKIQ-UHFFFAOYSA-N
-rxn:5:180662:226664:226663,COC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,OKQPAMYSDSVOIV-UHFFFAOYSA-N
-rxn:5:181624:222956:225832,Cc1ccc(-c2ccc(C3OCCO3)c(-c3c(C)nn(C4CCCCO4)c3C)c2)c(C2CCCNC2)c1,LDGHYDMPHYNYID-UHFFFAOYSA-N
-rxn:5:181624:225832:225653,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(-c2ccc(N3CCCCC3C)nc2)c1,FHGOQIKRHFYCBU-UHFFFAOYSA-N
-rxn:5:182009:225451:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(SC3CCCCC3)cc2)c(C2CCOCC2)c1,NGFRJEZZIRAMNH-UHFFFAOYSA-N
-rxn:5:182011:222956:226686,Cc1ccc(-c2ccc(C3CCOCC3)cc2-c2c(C)cnn2C2CCCCO2)c(C2CCCNC2)c1,KZDFQQBQMAPEFN-UHFFFAOYSA-N
-rxn:5:182012:225832:223139,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCNCC3)nc2)c(C2CCCOC2)c1,GWIHOPHHOLQQSC-UHFFFAOYSA-N
-rxn:5:182012:227613:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCOCC3)c2)cc1C1CCCOC1,BCNWCNOTDFZXHB-UHFFFAOYSA-N
-rxn:5:182013:225514:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc3c2OCC2(CC2)CO3)cc1C1CCOCC1,GBWIKEJZAQQIKT-UHFFFAOYSA-N
-rxn:5:182013:225633:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1C1CCOCC1,LWKOHTFIMBMLFM-UHFFFAOYSA-N
-rxn:5:183190:225824:225924,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc2c(c(-c3cc(C4CC4)cc(C(F)(F)F)c3)c1)CC(C)(C)C2=O,ZVBKAUNIFHWJNF-UHFFFAOYSA-N
-rxn:5:188446:226414:225639,COC(=O)c1cc(-c2ccc(C3=NCCCO3)cc2)c(-c2cccnc2N2CCC(C)CC2)c([N+](=O)[O-])c1,SPXYFGKQTGMIID-UHFFFAOYSA-N
-rxn:5:188873:222989:223062,CON(C)C(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccc(N2CCNCC2)cc1C,COCVNFQYBASDIN-UHFFFAOYSA-N
-rxn:5:188874:222989:223007,CON(C)C(=O)c1ccc(-c2cc(F)cc(C3CCNCC3)c2)cc1-c1ccc(N2CCNCC2)cc1C,CXNSAOURFKWUKJ-UHFFFAOYSA-N
-rxn:5:188874:222989:223062,CON(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(N2CCNCC2)cc1C,JIFATAPJJVMGDK-UHFFFAOYSA-N
-rxn:5:188874:222989:223064,CON(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1ccc(N2CCNCC2)cc1C,DXWOOCJMFFATLH-UHFFFAOYSA-N
-rxn:5:188877:223064:223065,CON(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(C3CCNCC3)nc2F)c1,VVHMIKGGJVUEEZ-UHFFFAOYSA-N
-rxn:5:188930:226382:225674,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1cnc(C2CCCCC2)cc1F,LEPKNMGKRZUMQT-UHFFFAOYSA-N
-rxn:5:188930:226382:226437,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCCC3)nc2)cc1-c1cc(C2CCCC2)ncc1F,HUPYWOSOWCXWBX-UHFFFAOYSA-N
-rxn:5:188930:226432:226139,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCCC3)nc2F)cc1-c1cc(C2CC2)cnc1C1CC1,JKSGYDQUKVQOPE-UHFFFAOYSA-N
-rxn:5:188930:226438:226139,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCC3)cc2F)cc1-c1cc(C2CC2)cnc1C1CC1,OMBQSSXHLISWPC-UHFFFAOYSA-N
-rxn:5:188930:227381:225671,COC(=O)c1cc(S(N)(=O)=O)c(-c2cnc(C3CCCC3)nc2)cc1-c1cc(C2CCCCC2)ncc1F,IHBFNHAGAACXJD-UHFFFAOYSA-N
-rxn:5:188932:223056:223141,COC(=O)c1cc(-c2ccc(N3CCC(O)CC3)nc2)c(S(N)(=O)=O)c(-c2cncc(C3CCNCC3)c2)c1,GJCDJPJQSRMDHE-UHFFFAOYSA-N
-rxn:5:189078:226661:225833,CCN(C)C(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ccc1-c1ccnc(N2CCCCC2)c1F,NLQBRLBRRWRPQO-UHFFFAOYSA-N
-rxn:5:189079:223064:223065,CCN(C)C(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(C3CCNCC3)nc2F)c1,NTYVLJKSOKNVMS-UHFFFAOYSA-N
-rxn:5:189209:223149:225576,CCOc1cc2cn[nH]c2cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccc(N3CCCC3)c(C#N)c2)c1,LLOZSUXOOWRFEC-UHFFFAOYSA-N
-rxn:5:189210:226849:228429,COc1nccc(-c2cccc(-c3c(F)ccc(SC)c3F)c2C(=O)ON2C(=O)CCC2=O)c1C(F)(F)F,WRXVJTIYGMKNOI-UHFFFAOYSA-N
-rxn:5:189212:222414:227657,Cc1ccc(S(N)(=O)=O)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2ccc(N3CCOCC3)s2)c1,NUMZJGILILTSGW-UHFFFAOYSA-N
-rxn:5:189335:225831:225831,COc1cc(C(=O)N(C)C)cc(-c2cnc(N3CCOCC3)c(C)c2)c1-c1cnc(N2CCOCC2)c(C)c1,SNGPMNGXRQBYQX-UHFFFAOYSA-N
-rxn:5:189449:226744:225672,CCc1cc(-c2ccc(-c3cc(F)nc(C4CCCCC4)c3)cc2C(=O)N2CC(OC)C2)cnc1C(F)(F)F,PHTJODRDOJQJRL-UHFFFAOYSA-N
-rxn:5:189449:226772:226603,COC(=O)c1cc(F)c(-c2ccc(-c3cc(C(=O)OC)cc(F)c3C)cc2C(=O)N2CC(OC)C2)c(F)c1,RBZBYPORQHSRAC-UHFFFAOYSA-N
-rxn:5:189538:223145:226037,COc1c(C(F)(F)F)ccc(-c2cc(C(=O)N(C)C(C)C)ccc2-c2ccc(C3CCC(=O)N3)cc2)c1F,LQHJVGCILCYDJV-UHFFFAOYSA-N
-rxn:5:189667:225407:226067,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3=CCCCC3)cc2)cc(-c2ccc(C3CCCCCC3)cc2)c1,GHZPKUIBXZGGTB-VZZDFVPGSA-N
-rxn:5:189675:225407:226915,CC(C)(C)S(=O)/N=C/c1cc(-c2ccc(C3CCCC3)cc2)ccc1-c1ccc(C2CCCCCC2)cc1,WEVUCNXQAHUJTB-YRRMYEEHSA-N
-rxn:5:189676:225407:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2ccc(C3CCCCCC3)cc2)c1,DWIQGDYKVMKCMI-UHFFFAOYSA-N
-rxn:5:189718:223294:228495,O=[N+]([O-])c1cc(-c2ccn(CC(F)(F)F)n2)c(-c2csc(N3CCNCC3)n2)cc1OC1CCOCC1,OCNAGBQLCBAMOX-UHFFFAOYSA-N
-rxn:5:189718:228495:223294,O=[N+]([O-])c1cc(-c2csc(N3CCNCC3)n2)c(-c2ccn(CC(F)(F)F)n2)cc1OC1CCOCC1,HPWFGHWJEGPAEH-UHFFFAOYSA-N
-rxn:5:189826:222986:227893,Cc1cc(-c2cc(-c3cccc(CN(C)C)c3)ccc2CC(=O)N2CCOCC2)cc(C2CCCNC2)n1,LOIFQTQYBILVOD-UHFFFAOYSA-N
-rxn:5:189909:225976:225980,Fc1cnc(N2CCOCC2)cc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)c(CCN2CCOCC2)c1,DSOMGNONMPLCIN-UHFFFAOYSA-N
-rxn:5:189952:226366:226395,COc1c(-c2cncc(N3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCCCC2)c1,ROKJNTAPPZMGPI-UHFFFAOYSA-N
-rxn:5:190000:227359:226447,COC(=O)c1cccc(-c2cc(-c3ccnc(C4CCOCC4)c3)ccc2CC(=O)N2CCCCC2)c1C,UPZGIUSZUDJATR-UHFFFAOYSA-N
-rxn:5:190097:227780:223061,O=[N+]([O-])c1ccc(F)c(-c2ccc(-c3cc(C4CCNCC4)ncc3F)c(CCN3CCCCC3)c2)c1F,FKEFYRAWGWIDHK-UHFFFAOYSA-N
-rxn:5:190128:225600:227293,COC1CCN(C(=O)c2ccc(-c3cccnc3OC3CCCCC3)c(-c3cncc(OC(C)(C)C)c3)c2)CC1,PXECSDFBIJEZFA-UHFFFAOYSA-N
-rxn:5:190128:227362:226186,CCOc1cc(C)cc(F)c1-c1ccc(C(=O)N2CCC(OC)CC2)cc1-c1ccccc1C1CCOCC1,WKIYBQYDOVDOPW-UHFFFAOYSA-N
-rxn:5:190128:228118:225453,COc1cccc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cccc(SC3CCCCC3)c2)c1C#N,GHUDIKPAJQRNCQ-UHFFFAOYSA-N
-rxn:5:190132:227587:226907,COc1cc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3cccc4c3CCC43CC3)c2)cc(F)c1OC,ONNSGZNYXPFQHA-UHFFFAOYSA-N
-rxn:5:190194:225499:228148,COc1cccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCCC3)cc2F)c1OC,JOYNNEMEQYNGDS-UHFFFAOYSA-N
-rxn:5:190194:225652:228480,COC1CCN(Cc2cccc(-c3cncc(N4CCCC(C)C4)c3)c2-c2cc(F)ccc2[N+](=O)[O-])CC1,XCXUZXYBENPJFL-UHFFFAOYSA-N
-rxn:5:190195:223113:225803,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(-c2ccnc(OC3CCOCC3)c2)c1)C1CCOCC1,RODYLSRIMDHEBX-UHFFFAOYSA-N
-rxn:5:190195:226644:223141,CN(Cc1ccc(-c2cncc(N3CCOCC3)c2)c(-c2cncc(C3CCNCC3)c2)c1)C1CCOCC1,WFRSURJUCLJTBD-UHFFFAOYSA-N
-rxn:5:190195:227960:225655,CC1CCN(c2cncc(-c3cc(CN(C)C4CCOCC4)ccc3-c3ccncc3C3CCC3)c2)CC1,YNTCFJLKQCIDLD-UHFFFAOYSA-N
-rxn:5:190199:226583:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1ccc(CN2CCOCC2)s1)C1CCOCC1,SBDSZFBVLOSPBP-UHFFFAOYSA-N
-rxn:5:190199:226864:222415,CN(Cc1cc(-c2ccc(F)c(S(N)(=O)=O)c2)ccc1-c1cc(F)c(OC(F)F)c(F)c1)C1CCOCC1,JNZXQYJAWGMBAD-UHFFFAOYSA-N
-rxn:5:190231:225640:223306,COc1c(-c2ccnc(N3CCCCC3C)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc2c(c1)CNCC2,IUAOSDDSLCBYBY-UHFFFAOYSA-N
-rxn:5:190336:225440:225886,COc1c(-c2ccc(C3(C#N)CCCC3)cc2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,DLVFLYPFWPMUOH-UHFFFAOYSA-N
-rxn:5:190336:227045:227833,CCc1cc(C)cc(C)c1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cccc(SC(C)(C)C)c2)c1OC,XAVQVGZJFIYGST-UHFFFAOYSA-N
-rxn:5:190484:223142:227507,O=C(c1cccc(-c2ccc(C3CCCNC3)nc2)c1)N1CCC(c2ccccc2-c2cccc(C=C[N+](=O)[O-])c2)S(=O)(=O)CC1,KOGFHBPEWMPNIZ-UHFFFAOYSA-N
-rxn:5:190484:225438:228918,CC(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnccc4C(F)F)S(=O)(=O)CC3)c2)cc1)N1CCCC1,AKHUXMLCWWVWMH-UHFFFAOYSA-N
-rxn:5:190484:226654:227626,CC1CCN(c2nc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cnc(C6CCOC6)nc5)S(=O)(=O)CC4)c3)cs2)CC1,SAJRISPMCPWKKI-UHFFFAOYSA-N
-rxn:5:190484:227045:226438,CC(C)(C)Sc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(C5CCCC5)cc4F)S(=O)(=O)CC3)c2)c1,OUGQJMAGUCHYKO-UHFFFAOYSA-N
-rxn:5:190484:227045:227970,CC(C)(C)Sc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccncc4C(C)(C)C)S(=O)(=O)CC3)c2)c1,BGFODUVDFTZPQY-UHFFFAOYSA-N
-rxn:5:190484:227898:227409,CC(C)Cc1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ncc4F)S(=O)(=O)CC3)c2)c1,RQDXZHASAUURFJ-UHFFFAOYSA-N
-rxn:5:190680:225450:226887,CC(=O)Oc1cn(C(C)=O)c2ccc(-c3ccc(C(=O)C4CCCC4)cc3)c(-c3ccc(F)c(C(F)(F)F)c3F)c12,SBIQYFDPDPZHKP-UHFFFAOYSA-N
-rxn:5:190681:226041:225470,CC(=O)Oc1cn(C(C)=O)c2cc(-c3ccc(N4CCC(C)CC4)cc3)c(-c3c([N+](=O)[O-])cccc3C(F)(F)F)cc12,IHCZRVGLEOBRGK-UHFFFAOYSA-N
-rxn:5:190712:225985:225611,CCOC(=O)c1c(-c2cccc(N3CCCS3(=O)=O)c2)c2cc(-c3ccc(N4CCCC4)cc3OC)ccc2n1C,UOCORGOBUUDMNJ-UHFFFAOYSA-N
-rxn:5:190742:223058:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)nc(C4CCCNC4)c3)c2c1-c1ccnc(N2CCCCC2)c1F,QMUZJUFKZOZGKK-UHFFFAOYSA-N
-rxn:5:190742:225833:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1cnc(C2CCNCC2)cc1F,SNPZAQHNUSXJGS-UHFFFAOYSA-N
-rxn:5:190744:225655:225834,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1cc(N2CCCCC2)ncc1F,PFONCDQEFJWWQA-UHFFFAOYSA-N
-rxn:5:190744:225833:223061,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1cc(C2CCNCC2)ncc1F,UYTBJSQMDTUQJG-UHFFFAOYSA-N
-rxn:5:190832:222982:226450,CCOC(=O)c1cnc2cc(C)c(-c3ccc(CN4CC[C@@H](O)C4)cc3)c(C)c2c1-c1cccc(C2(C)OCCO2)c1,LQGDMBSQLLWQRN-MUUNZHRXSA-N
-rxn:5:190859:226146:226919,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(SC3CCCC3)cc1)c2-c1cccc(C2CCCC2)c1,ZVTJPOODDULJGO-UHFFFAOYSA-N
-rxn:5:190859:226916:226150,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(C3=CCCC3)c1)c2-c1cccc(SC2CCCC2)c1,OIYZZNMEQJSTLL-UHFFFAOYSA-N
-rxn:5:190859:226968:227052,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc3c(c1)OC(C)(C)C3)c2-c1ccc(SC(C)(C)C)cc1,QGWBXRIIWODLIE-UHFFFAOYSA-N
-rxn:5:190859:227047:226968,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CCC3)c1)c2-c1ccc2c(c1)OC(C)(C)C2,ROGBYZZYSNXXHM-UHFFFAOYSA-N
-rxn:5:190859:227052:226959,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(SC(C)(C)C)cc1)c2-c1ccc2c(c1)CC(C)(C)O2,UDBBCOZGWWFQRS-UHFFFAOYSA-N
-rxn:5:190859:227326:227052,COC(=O)c1ccc(C)c(-c2ccc3c(c2-c2ccc(SC(C)(C)C)cc2)CCN3C(=O)OC(C)(C)C)c1,AWQFEUBRNVGXRC-UHFFFAOYSA-N
-rxn:5:190998:223141:223378,COC(=O)c1cc(-c2cnc3c(c2)NCCO3)ccc1N1Cc2cc(-c3cncc(C4CCNCC4)c3)ccc2OCC1=O,YNZPFUPXUDCSMN-UHFFFAOYSA-N
-rxn:5:190998:226794:225849,COC(=O)c1cc(-c2cnc(N3CCCCC3)cc2F)ccc1N1Cc2cc(-c3cnc(N4CCSCC4)nc3)ccc2OCC1=O,YJHLKLNTSQNYHF-UHFFFAOYSA-N
-rxn:5:191026:227076:227912,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(C)OC)cc4)c2)C=C(C(=O)OC)S3(=O)=O)c1,FNRVKQYLWWHUSP-UHFFFAOYSA-N
-rxn:5:191026:227076:228242,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)c(F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,WNTATCMQOIPKLY-UHFFFAOYSA-N
-rxn:5:191026:227077:227045,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cccc(SC(C)(C)C)c4)c2)C=C(C(=O)OC)S3(=O)=O)c(F)c1,JHLNKNRROMBZGN-UHFFFAOYSA-N
-rxn:5:191026:227815:227102,CCC(C)c1ccccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3cc(C(C)(C)C)ccc3F)c1)C=C(C(=O)OC)S2(=O)=O,KTBPAUPDMXLPGE-UHFFFAOYSA-N
-rxn:5:191026:227832:225928,COC(=O)C1=CN(c2ccc(C)c(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)c2)c2cc(-c3ccc(C4CC4)cc3C)ccc2S1(=O)=O,UTKGIRAKXJYUFP-UHFFFAOYSA-N
-rxn:5:192236:223134:223054,COc1cc(-c2ccc(C(C)N3CCC(O)C3)s2)c(S(N)(=O)=O)cc1-c1cnccc1C1CCCNC1,WHXUFUXSFMTIFL-UHFFFAOYSA-N
-rxn:5:192236:225833:222987,COc1cc(-c2ccc(C3CCNCC3)nc2C)c(S(N)(=O)=O)cc1-c1ccnc(N2CCCCC2)c1F,CHTFAVOELILDDA-UHFFFAOYSA-N
-rxn:5:192568:225584:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1ccc(C(=O)N2CCC2)c(-c2ccc(C(=O)N3CCCC3)cc2)c1,IDVVNYKIZOEYBL-UHFFFAOYSA-N
-rxn:5:193226:223061:225976,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccnc(N3CCOCC3)c2F)c1)N1CCOCC1,KQKZCBCXKYELMX-UHFFFAOYSA-N
-rxn:5:193226:226837:226450,Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(C(=O)N2CCOCC2)cc1-c1cccc(C2(C)OCCO2)c1,OTZMTDXVBSTSIX-UHFFFAOYSA-N
-rxn:5:193226:227316:225784,CC(C)Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2-c2ccc(CN3CCOCC3)nc2)cc(F)n1,HNQCZSUBERLFRE-UHFFFAOYSA-N
-rxn:5:193226:227736:225872,Cc1ncc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCOCC2)cc1-c1cc(F)c(F)c(N2CCCC2)c1,MKKBZWXJLRVMSZ-UHFFFAOYSA-N
-rxn:5:193229:226583:223006,O=C(c1cccc(-c2ccc(CN3CCOCC3)s2)c1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,AXTDXDKKFGHXIX-UHFFFAOYSA-N
-rxn:5:193229:227087:225440,Cc1cnc(C(C)(C)C)c(-c2cccc(C(=O)N3CCOCC3)c2-c2ccc(C3(C#N)CCCC3)cc2)c1,OWCBUILANZRSFG-UHFFFAOYSA-N
-rxn:5:193230:225976:223006,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,QUHYAKILAKGXHM-UHFFFAOYSA-N
-rxn:5:193329:223063:227803,CN(C)S(=O)(=O)n1nccc1-c1c(-c2cc(F)nc(C3CCNCC3)c2)ccnc1OC1CCCCC1,BWDUQONCCBUPLP-UHFFFAOYSA-N
-rxn:5:193382:223056:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1S(=O)(=O)N1CCOCC1,IJZNDVULABLAGY-UHFFFAOYSA-N
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-rxn:5:193382:228974:223063,CS(=O)(=O)n1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cc(F)nc(C4CCNCC4)c3)c2)cn1,UWDVKCYATVCLFG-UHFFFAOYSA-N
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-rxn:5:193461:227045:225407,CC(C)(C)Sc1cccc(-c2ccc(C(=O)N3CCCCC3)c(-c3ccc(C4CCCCCC4)cc3)c2)c1,WOQFRUOFCBWSID-UHFFFAOYSA-N
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-rxn:5:193506:228304:226794,CC(C)Oc1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cnc(N4CCSCC4)nc3)c2)cn1,QMZPOWOOYAQDIO-UHFFFAOYSA-N
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-rxn:5:193539:222986:225455,Cc1cc(-c2ccc(CN3CCCCC3)cc2-c2cc(N3CCCCC3)ccc2C)cc(C2CCCNC2)n1,LYJSWDIFXDHXRA-UHFFFAOYSA-N
-rxn:5:193541:226172:222981,Cc1ccc(N2CCCC2)cc1-c1cc(CN2CCCCC2)cc(-c2ccnc(NC3CCCCC3)c2)c1,DZFULBADKXKTKM-UHFFFAOYSA-N
-rxn:5:193598:226042:225944,CC(C)Oc1c(F)cc(F)c(-c2ccc(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2C(=O)N2CCOC(C)C2)c1F,MTAYOVRBXOOSSY-UHFFFAOYSA-N
-rxn:5:193681:226654:227660,Cc1ccc(C(F)(F)F)cc1-c1ccc(-c2csc(N3CCC(C)CC3)n2)cc1OC1CCN(C)CC1,VOJBLNRYNBXTRD-UHFFFAOYSA-N
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-rxn:5:193869:227506:227438,Cc1cc(-c2cccc(/C=C/[N+](=O)[O-])c2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccnc(C2CCOC2)c1,LEFLFRVHEDGQBR-NTEUORMPSA-N
-rxn:5:193870:225435:228129,COc1cc(C#N)ccc1-c1cc(-c2ccccc2CN2CCCCC2)c(C)cc1S(=O)(=O)N1CCCCC1,XBFDFPQTWJTUHE-UHFFFAOYSA-N
-rxn:5:193870:226177:225655,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cncc(N3CCC(C)CC3)c2)cc1-c1ccnc(C2CCCCC2)c1,RYCHKOVNOINIJM-UHFFFAOYSA-N
-rxn:5:193870:228141:226366,CCCc1cc(F)c(-c2cc(-c3ccnc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)cn1,LOTQHKBKCYSORN-UHFFFAOYSA-N
-rxn:5:193871:225587:225515,CC1(C)COc2cccc(-c3ccc(C(=O)N4CCC5(CC4)CC5)cc3-c3cccc(CN4CCOCC4)c3)c2OC1,OXWMNTUCSKJMEH-UHFFFAOYSA-N
-rxn:5:193871:225587:226437,O=C(c1ccc(-c2cc(C3CCCC3)ncc2F)c(-c2cccc(CN3CCOCC3)c2)c1)N1CCC2(CC1)CC2,OULMUQROBDTLTF-UHFFFAOYSA-N
-rxn:5:193871:226649:226129,O=C(c1ccc(-c2cccc(CN3CCCC3)c2)c(-c2cccnc2N2CCOCC2)c1)N1CCC2(CC1)CC2,UIJIZXPXYAYQSS-UHFFFAOYSA-N
-rxn:5:193871:227450:225437,O=C(c1ccc(-c2cccc(CN3CCCCC3)c2)c(-c2cccc(C3CC3(F)F)c2)c1)N1CCC2(CC1)CC2,JMGCJVXXFXXZQW-UHFFFAOYSA-N
-rxn:5:193967:228778:226429,COc1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)c(-c3ccc(N4CCCC(C)C4)s3)c2)c1F,XCINHZYJZKPATD-UHFFFAOYSA-N
-rxn:5:193972:226710:228253,Cc1cc(-c2ccc(F)c([Si](C)(C)C)c2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(P(C)(C)=O)cc1,QGCJVVDHFIQTDD-UHFFFAOYSA-N
-rxn:5:194058:223002:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C2CCNCC2)cc1F,GVMMASGMSVGRPJ-UHFFFAOYSA-M
-rxn:5:194058:223008:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cc(C2CCNCC2)ccc1F,QVYOOMJVVXWGLE-UHFFFAOYSA-M
-rxn:5:194058:223065:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(N2CCNCC2)cc1F,IZDKHIBTSNNLSU-UHFFFAOYSA-M
-rxn:5:194058:225803:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2ccnc(OC3CCOCC3)c2)s1)N1CCOCC1,SBOOKABQGJSFKZ-UHFFFAOYSA-M
-rxn:5:194058:225806:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1cnc(OC2CCCC2)cc1F,TUBPHWHKFABDGR-UHFFFAOYSA-M
-rxn:5:194058:225832:223002,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(C2CCNCC2)cc1F,KRFZFBJZHSUFMV-UHFFFAOYSA-M
-rxn:5:194058:225832:225637,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccccc1N1CCN(C)CC1,ITAZKTIJMZUNIM-UHFFFAOYSA-M
-rxn:5:194058:225982:225805,CC(c1ccc(-c2cc3[nH]cc(OS(=O)(=O)[O-])c3cc2-c2cnc(N3CCOCC3)cc2F)s1)N1CCOCC1,FCCSKPGXHIPZCQ-UHFFFAOYSA-M
-rxn:5:194058:226426:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(N2CCC(C)CC2)s1,TVIOPTMDUCUXEC-UHFFFAOYSA-M
-rxn:5:194733:225927:228068,CN(C)c1ccc(C(F)(F)F)cc1-c1ccc(-c2cc3cc(F)ccc3s2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,RBSOMSXFLJGIPH-UHFFFAOYSA-N
-rxn:5:194733:226763:225652,COC(=O)c1c(F)cc(-c2ccc(-c3cncc(N4CCCC(C)C4)c3)c(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)cc1F,IMBDVDLEHLDEOL-UHFFFAOYSA-N
-rxn:5:194733:227197:225824,CN1Cc2ccc(-c3ccc(-c4cc(C5CC5)cc(C(F)(F)F)c4)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)cc2C1=O,FAMRYECFJMWMBL-UHFFFAOYSA-N
-rxn:5:194733:227759:227910,CCC(C)c1ccc(-c2ccc(-c3c(F)cc(F)c(OC)c3F)cc2C(=O)N2C3CCC2CC(=C2CC2)C3)cn1,SMKDKNWRHVHPPW-UHFFFAOYSA-N
-rxn:5:194767:222417:225881,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(C3CCOCC3)nc2F)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,DQIPAOKOXSQCEC-UHFFFAOYSA-N
-rxn:5:194767:225655:225976,CC1CCN(c2cncc(-c3ccc(-c4ccnc(N5CCOCC5)c4F)c(C(=O)N4CCCC5(C4)OC(=O)c4ccccc45)c3)c2)CC1,CRQBPMKVIYKYFS-UHFFFAOYSA-N
-rxn:5:194786:225451:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-n2c(-c3ccc(-c4ccc(SC5CCCCC5)cc4)cc3)cc3c2CC(C)(C)CC3=O)cc1,UXUIGNDWTIZIFS-UHFFFAOYSA-N
-rxn:5:194791:223345:226164,O=C1Cc2cccc(-c3ccccc3N3C(=O)C4C(c5ccc(-c6ccc(N7CCCCC7)cc6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)c2N1,PUUQBCCQADTXPJ-UHFFFAOYSA-N
-rxn:5:194791:228923:228176,COCc1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5c(SC)ccnc5F)C(=O)C34)cc2)cc1F,DWWOTZVWCSMXSR-UHFFFAOYSA-N
-rxn:5:194792:223113:223405,CC1(C)C(=O)Nc2ccc(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(-c7ccc8[nH]cnc8c7)cc6)C(=O)C45)cc3)cc21,KQHCSVJHRCYYNY-UHFFFAOYSA-N
-rxn:5:194792:225395:228313,COc1ccc(-c2ccc(N3C(=O)C4C(c5ccc(-c6cc(C7CC7)cc(C(C)(C)C)c6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2)c(OC)n1,PDTHUHQVQGJUOO-UHFFFAOYSA-N
-rxn:5:196791:225976:226395,O=C1COCCN1c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1cncc(N2CCCCC2)c1,PZOPJNMENAEJDQ-UHFFFAOYSA-N
-rxn:5:196858:225407:222959,Cc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCCCCC3)cc2)ccc1C1CCNCC1,KLKBZJIWNRTMJT-UHFFFAOYSA-N
-rxn:5:196858:226652:223007,Cc1cc(-c2cnc(C3CCOCC3)cc2-c2cc(F)cc(C3CCNCC3)c2)n(C2CCCCO2)n1,SGAOEKUFOKNGGO-UHFFFAOYSA-N
-rxn:5:196923:227803:222996,CN(C)S(=O)(=O)n1nccc1-c1ccc(N2CCCCC2=O)cc1-c1ccc(F)cc1C1CCCNC1,XGAAVJJVHMASSX-UHFFFAOYSA-N
-rxn:5:196969:226898:223061,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(C2CCCCC2)cc1-c1cc(C2CCNCC2)ncc1F,GGASFDSEVLCOIT-UHFFFAOYSA-N
-rxn:5:196971:225633:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(N3CCCCCC3)nc2)ncc1C1CCCCC1,JBEHKSPIGBJYTN-UHFFFAOYSA-N
-rxn:5:197876:223001:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCNC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,RUCMIVBOSLHZBO-UHFFFAOYSA-N
-rxn:5:197876:223113:227660,Cc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc3c(c1)C(C)(C)C(=O)N3)S(=O)(=O)N(C(C)(C)C)C2=O,ZJBPRMLEZGOFQS-UHFFFAOYSA-N
-rxn:5:197876:223188:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cnc(NC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KGSAXSSIMXOJOG-UHFFFAOYSA-N
-rxn:5:197876:223189:227812,CC(C)Cc1cccc(-c2cc3c(cc2-c2ccc(NS(C)(=O)=O)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AYJZFDCEUFIZMQ-UHFFFAOYSA-N
-rxn:5:197876:225464:227045,CC1CCCN(c2cccc(-c3cc4c(cc3-c3cccc(SC(C)(C)C)c3)C(=O)N(C(C)(C)C)S4(=O)=O)c2)C1,FMJPEBZAJKOKDP-UHFFFAOYSA-N
-rxn:5:197876:225470:227045,CC1CCN(c2ccc(-c3cc4c(cc3-c3cccc(SC(C)(C)C)c3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,MMGYQDZVKHGZAM-UHFFFAOYSA-N
-rxn:5:197876:225499:226143,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C)c1OC(C)C,WGRADWHOKGXOMR-UHFFFAOYSA-N
-rxn:5:197876:225499:227966,CC(C)(C)c1ncccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,AXAVUPHTTKNTFD-UHFFFAOYSA-N
-rxn:5:197876:225591:227050,Cc1cc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC(C)C,GPUNVUWWCDBFHN-UHFFFAOYSA-N
-rxn:5:197876:225601:227910,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,GABFTKXTZRFUCJ-UHFFFAOYSA-N
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-rxn:5:197876:225603:227412,CC(C)(C)c1cc(F)c(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,GDCXAUHMPIRLBW-UHFFFAOYSA-N
-rxn:5:197876:225603:228566,CC(C)Cc1sccc1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,OJFKOPFAUKNZLH-UHFFFAOYSA-N
-rxn:5:197876:225671:227673,CC(F)(F)c1cccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1F,OHXIFRFEFLEOJF-UHFFFAOYSA-N
-rxn:5:197876:225671:227902,CCc1cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1C#N,AKDVTNGPDXYICL-UHFFFAOYSA-N
-rxn:5:197876:225671:228248,CC(=O)c1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,PEMHYWIILDVIMZ-UHFFFAOYSA-N
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-rxn:5:197876:226031:228551,CCCc1ncccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,SIXNFDREQRGSQC-UHFFFAOYSA-N
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-rxn:5:197876:226658:227823,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1ccc(N3CCCC3)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GKXVLYPAUILDQL-UHFFFAOYSA-N
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-rxn:5:197876:226762:227019,CSc1cc(-c2cc3c(cc2-c2cccc(C(C)(C)C#N)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,BEGXBLCVKRWTKJ-UHFFFAOYSA-N
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-rxn:5:197876:226769:227940,CCc1cc(SC)cc(-c2cc3c(cc2-c2cc(C(=O)OC)cc(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FOSAEPZGHSCOLY-UHFFFAOYSA-N
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-rxn:5:197876:226847:226917,CSc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C)cc(C(C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,QXCXAYSRJMSICJ-UHFFFAOYSA-N
-rxn:5:197876:226849:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2ccnc(OC)c2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,AZMDGOMBUJESMB-UHFFFAOYSA-N
-rxn:5:197876:226876:227910,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2OC(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,JOCQRGXPQUKPRL-UHFFFAOYSA-N
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-rxn:5:197876:226882:227970,CC(C)(C)c1cnccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)c(F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,PSZNNQDIDFNKNB-UHFFFAOYSA-N
-rxn:5:197876:226884:228567,CCC(C)c1sccc1-c1cc2c(cc1-c1c(F)cc(C(F)(F)F)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GXFHANOVZBHCES-UHFFFAOYSA-N
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-rxn:5:197876:226912:226085,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,LWICCBIQAYJQRC-UHFFFAOYSA-N
-rxn:5:197876:226914:227065,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1cccc(C(=O)C(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,AUVNJBIXTXURHE-UHFFFAOYSA-N
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-rxn:5:197876:226917:226842,Cc1cc(-c2cc3c(cc2-c2cncc(C(=O)C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,UWBDHBQCMCRPCD-UHFFFAOYSA-N
-rxn:5:197876:226925:226067,Cc1cc(C2CC2)cc(-c2cc3c(cc2-c2ccc(C4=CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1C,BELXSBUOXGUVBP-UHFFFAOYSA-N
-rxn:5:197876:226926:227045,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cccc(SC(C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,HULGRWAEXBMFBH-UHFFFAOYSA-N
-rxn:5:197876:227029:226060,CC(C)(C#N)c1ccccc1-c1cc2c(cc1-c1cc(C3CC3)cc(C3CC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,FWJLFBNXGRPAPI-UHFFFAOYSA-N
-rxn:5:197876:227029:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccccc1C(C)(C)C#N)S(=O)(=O)N(C(C)(C)C)C2=O,VEKRNHDLOCGVIY-UHFFFAOYSA-N
-rxn:5:197876:227045:227036,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cc(C4CC4)ccc2C#N)C(=O)N(C(C)(C)C)S3(=O)=O)c1,AIVLWEPMMCAYSJ-UHFFFAOYSA-N
-rxn:5:197876:227051:227670,CCC(=O)c1ccc(-c2cc3c(cc2-c2cc(F)cc(C(C)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)c1,YNQHYBVLGGCUKB-UHFFFAOYSA-N
-rxn:5:197876:227052:227297,CN(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DJUGTIDLTNEJGV-UHFFFAOYSA-N
-rxn:5:197876:227052:227706,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JIGLCKTVKJIPLV-UHFFFAOYSA-N
-rxn:5:197876:227065:226745,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cccc(C(=O)C(C)C)c1)S(=O)(=O)N(C(C)(C)C)C2=O,LJVUDGHDFQNFLA-UHFFFAOYSA-N
-rxn:5:197876:227068:227073,COc1cc(-c2cc3c(cc2-c2ccc(CC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,CJLHAKFTDTTYAA-UHFFFAOYSA-N
-rxn:5:197876:227077:226968,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)OC(C)(C)C4)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,UDQXYFTVNZHFSZ-UHFFFAOYSA-N
-rxn:5:197876:227079:223267,CNC(=O)c1ccc(-c2cc3c(cc2-c2cc(CC(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,DEXRHPLQYSMPMX-UHFFFAOYSA-N
-rxn:5:197876:227087:227665,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2ccc(C(F)(F)F)c(C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,ZEVYLBZDLNREAK-UHFFFAOYSA-N
-rxn:5:197876:227102:226428,CC1CCCCN1c1csc(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JJOJBQNRUXAROM-UHFFFAOYSA-N
-rxn:5:197876:227106:226058,Cc1cc(F)c(-c2cc3c(cc2-c2c(C(C)C)cccc2C(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C1CC1,OBHRDILFGYALJZ-UHFFFAOYSA-N
-rxn:5:197876:227106:226611,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C3CC3)c(C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,QFRCLAZTXBYWAK-UHFFFAOYSA-N
-rxn:5:197876:227119:226745,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C3CCCCC3)cs1)S(=O)(=O)N(C(C)(C)C)C2=O,BEUHHCIYCGFJGN-UHFFFAOYSA-N
-rxn:5:197876:227120:226341,COc1cc(F)c(C(C)C)cc1-c1cc2c(cc1-c1ccc(C3CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PPDWUGWTZKPGIO-UHFFFAOYSA-N
-rxn:5:197876:227124:227058,COc1ccc(C2CC2)cc1-c1cc2c(cc1-c1ccc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ITDBMDMFAPUOMW-UHFFFAOYSA-N
-rxn:5:197876:227314:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(CC(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,OKANDVFPHRZKGK-UHFFFAOYSA-N
-rxn:5:197876:227315:227589,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2cnc(CC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QSGBHDHVXSOMNU-UHFFFAOYSA-N
-rxn:5:197876:227326:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C(=O)OC)ccc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PBBZVUXXKAVOLB-UHFFFAOYSA-N
-rxn:5:197876:227341:225639,CC1CCN(c2ncccc2-c2cc3c(cc2-c2cccc(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)CC1,ROYNWSJQILMKSA-UHFFFAOYSA-N
-rxn:5:197876:227409:227671,Cc1cccc(C(F)(F)F)c1-c1cc2c(cc1-c1cc(C(C)(C)C)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WRZXOYVVJUPSFD-UHFFFAOYSA-N
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-rxn:5:197876:227412:227100,Cc1cc(C2CC2)cc(F)c1-c1cc2c(cc1-c1cnc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,MWALINVAQZPBIB-UHFFFAOYSA-N
-rxn:5:197876:227413:227661,Cc1cc(C(F)(F)F)ccc1-c1cc2c(cc1-c1cnc(C3CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LFJQOCYVVBSSSI-UHFFFAOYSA-N
-rxn:5:197876:227419:226768,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,MMWVCCMQJBUWBR-UHFFFAOYSA-N
-rxn:5:197876:227503:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cc2c(cc1-c1cc(OC(C)C)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,NYIZDGQSMABPAW-UHFFFAOYSA-N
-rxn:5:197876:227561:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(OC)c(OC)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IXBYNUOSBTVLSQ-UHFFFAOYSA-N
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-rxn:5:197876:227673:226610,CCc1cc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,MTVXOBPHCLNBEK-UHFFFAOYSA-N
-rxn:5:197876:227673:227290,CN(C)C(=O)c1cccc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QIBMAXYRELDFJM-UHFFFAOYSA-N
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-rxn:4:178069:223533,Cc1ccccc1-c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1OC(F)(F)F,ABPOOPLXZGQWGF-UHFFFAOYSA-N
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-rxn:4:178288:224375,COC(=O)C1(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)cc2)CCC(=O)CC1,YGNPVLVQMSOEPJ-UHFFFAOYSA-N
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-rxn:4:178384:228754,CSc1ncc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1C,BFSGTYWUMZEPGB-UHFFFAOYSA-N
-rxn:4:178384:228819,Cc1cc(Cl)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,BCUNLICPSGKYSR-UHFFFAOYSA-N
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-rxn:4:178597:227558,Cc1cc(OC(F)F)ccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,JCELYRLPPQHLLQ-UHFFFAOYSA-N
-rxn:4:178597:227871,Cc1sc2ccccc2c1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,HHGIUYRHSMSRPQ-UHFFFAOYSA-N
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-rxn:4:179262:223489,Cc1ccc(C(=O)C(F)F)cc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,VIIMFPLGDZGKCK-UHFFFAOYSA-N
-rxn:4:179616:223541,COc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1S(C)(=O)=O,IOFMMWQMPYPICG-UHFFFAOYSA-N
-rxn:4:180078:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(C(=O)C(C)(C)C)c3)cc21,ULHMJFLBBSMIPE-UHFFFAOYSA-N
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-rxn:4:180443:223901,CC1CCN(CCOc2ccc(-c3cc(C4CC4)ccc3C3COCCO3)cc2Cl)CC1,OOPNTXNEEYNVOH-UHFFFAOYSA-N
-rxn:4:180538:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4sc(C(=O)C(F)(F)F)cc4c3)cc2)CC1,NKZJZIWHIXMJMA-UHFFFAOYSA-N
-rxn:4:180571:223499,COC(=O)c1cc2c(-c3ccc(Cl)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc(F)cc2s1,TXTTYGHRHYHPNG-UHFFFAOYSA-N
-rxn:4:180792:224705,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(N4CCC(C)CC4)c(F)c3F)cc1C2=O,NZOHIBQHAWRHMD-UHFFFAOYSA-N
-rxn:4:180856:222439,CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cccc21,ZHJVGYSQKJVOJQ-UHFFFAOYSA-N
-rxn:4:180955:223492,Cc1cc(-c2ccc(F)cc2C(F)F)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JJRRTCJCTMGYDB-UHFFFAOYSA-N
-rxn:4:181237:223480,CC(=O)c1cc(F)c(F)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,VMEWAVHWBMDBJL-UHFFFAOYSA-N
-rxn:4:181704:223497,CC(c1ccc(-c2cccc(F)c2C2CCC2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,WDIOCGIJYJBPSP-UHFFFAOYSA-N
-rxn:4:182083:224283,CC(C)(C)Oc1ncc(-c2ccc([C@H]3[C@@H](F)[C@@H](F)C[C@@H](F)[C@H]3F)cc2)c(OC(C)(C)C)n1,PCPJYRCCTKOMPG-YCKXBTPASA-N
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-rxn:4:182367:224647,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2ccc3c(c2)C(=O)C2(CCC(C(F)F)CC2)C3)c1,MZFROAXEZNRAPM-UHFFFAOYSA-N
-rxn:4:182367:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccc2c(c1)C(=O)C1(CCC(C(F)F)CC1)C2,HJTBNWSMESNXJF-UHFFFAOYSA-N
-rxn:4:182374:224656,COc1ccc(-c2cc3c(cc2C(C)=O)C(C)(C)CCC3(C)C)c(F)c1OC1CCCC1,OIXTYBJZWDBBBR-UHFFFAOYSA-N
-rxn:4:182376:222805,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(F)c(F)c(N5CCC(O)CC5)c4)cc3C2=O)C[C@@H]1C,HJDNZFGWPMVQDW-AJYVSHTCSA-N
-rxn:4:183274:229085,c1nc(C2CC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)s1,KEKKVJMNRGBSHY-UHFFFAOYSA-N
-rxn:4:183472:222645,CCOC(=O)COc1cccc([N+](=O)[O-])c1-c1cccc(OCCN2CCC(O)CC2)c1,DXCCGDGZLDJWPU-UHFFFAOYSA-N
-rxn:4:183496:223843,CCOC(=O)Cc1cc(C(F)F)cc(-c2ccc(S(=O)(=O)N(CC)CC)cc2C(F)(F)F)c1C#N,BFDJPSCTIFBUFZ-UHFFFAOYSA-N
-rxn:4:183535:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(C#N)c(CC(=O)OCC)c(C(F)(F)F)c3)cc2)CC1,JUHBDDPJNTUEJR-MXVIHJGJSA-N
-rxn:4:183545:223595,Cc1cc(OCCCCC#N)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,MKVXWWPFKVQGRY-UHFFFAOYSA-N
-rxn:4:183627:222811,COC(=O)C(Oc1ccc(C#N)c(-c2cc(Cl)nc(NC(=O)OC(C)(C)C)c2)c1)C(C)C,TUZRVUDTSJZBDJ-UHFFFAOYSA-N
-rxn:4:183668:222822,Cc1cc(F)c(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)cc1S(=O)(=O)NC1CC1,QACASNQHMIDYHR-UHFFFAOYSA-N
-rxn:4:183763:223922,CN(C(=O)c1cc(-c2cc(F)ccc2N(OC(=O)OC(C)(C)C)C2CC2)ccc1Cl)C1CCCCC1,OCUSZQNKXSHYLM-UHFFFAOYSA-N
-rxn:4:183769:224497,CCN1CCN(Cc2ccc(-c3cc(OC(F)(F)F)ccc3OCC(=O)N3CCCCC3)cc2)CC1,WPRSDPOSDNBRCY-UHFFFAOYSA-N
-rxn:4:183823:223098,CC(=O)NS(=O)(=O)c1ccc(-c2ccc(Cl)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)cc1,FVYCFOBFWADMJT-UHFFFAOYSA-N
-rxn:4:183827:224257,CC1CCCCN1C(=O)c1ccc(Cl)c(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CC2)c1,XQIURQLVTGYFCS-UHFFFAOYSA-N
-rxn:4:183862:225300,COC(=O)CN1CCC(COc2ccc(-c3ccc(OC4CCOCC4)nc3F)cc2)CC1,FKWYXPHGARIKGQ-UHFFFAOYSA-N
-rxn:4:183870:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2)c1,PHMTZWJMDRKWTN-UHFFFAOYSA-N
-rxn:4:183874:222930,CC(C)(C)OC(=O)N(Cc1ccc(F)cc1-c1cnc(Cl)c(N2CCCC(O)C2)c1)C1COC1,VCTNVFTWJVIPHA-UHFFFAOYSA-N
-rxn:4:183882:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(OCC4CN(C(=O)OC(C)(C)C)C4)ccc3F)c(F)c2)CC1,MUVMQONTQFVLMS-AQYVVDRMSA-N
-rxn:4:183883:227613,FC(F)(F)CN1CCC(CCOc2ccc(-c3cnn(C4CCOCC4)c3)cc2)CC1,QABZHSYQYYCOGD-UHFFFAOYSA-N
-rxn:4:183890:224063,CC1CCCN(c2cc(-c3cc(F)c(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)cc(C3CC3)c2)C1,UOEZNJILMGYLGS-UHFFFAOYSA-N
-rxn:4:183900:225389,CCC(C)c1cc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C(C)C)cc(C2CC2)c1,HCCFLZMUEQKWSX-UHFFFAOYSA-N
-rxn:4:183919:222589,CSc1ccc(Oc2ncc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)cc2C(=O)OC(C)(C)C)cc1,IRDSIRHIVCDSSS-UHFFFAOYSA-N
-rxn:4:183931:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CC3)c2)c1,OHYCLHDWKRLZMV-UHFFFAOYSA-N
-rxn:4:183931:226006,Cc1cc(CN(C(=O)OC(C)(C)C)C2CC2)cc(-c2cc(F)cc(OCC(F)(F)F)c2)c1,UXTMLWXVCFAYNB-UHFFFAOYSA-N
-rxn:4:183932:224075,Cc1cc(-c2ccc3ccn([Si](C)(C)C(C)(C)C)c3c2)ccc1CN(C(=O)OC(C)(C)C)C1CC1,LMSOBSJPHSMNHK-UHFFFAOYSA-N
-rxn:4:183968:227368,CC(C)(C)OC(=O)N1CCC(COc2cc(F)cc(-c3ccc(Cl)c(OC4CC4)c3)c2)C1,GCPZLGDQBJUEQS-UHFFFAOYSA-N
-rxn:4:183986:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C)c(F)c(CN(C(=O)OC(C)(C)C)C(C)C)c2)cc1,QAWOHFRJWGRJBW-UHFFFAOYSA-N
-rxn:4:184001:229158,COC(=O)C1(c2ccc(-c3ncnn3C(C)C)cc2Cl)CCN(C(=O)OC(C)(C)C)C1,KRFVWBNOQBJTSA-UHFFFAOYSA-N
-rxn:4:184019:223673,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(C)c1-c1cccc(COc2cc(C(F)(F)F)ccc2Cl)c1,OXSCQZAPXHSSHR-UHFFFAOYSA-N
-rxn:4:184042:225430,CCCCOc1cc(C)c(-c2ccc(Cl)c(C(=O)N3CCC(COCc4ccc(F)cc4)CC3)c2)c(C)c1,YHLJCKVDCOKOTQ-UHFFFAOYSA-N
-rxn:4:184043:224648,COc1ccc(CN(C(=O)c2ccccc2-c2ccc(O[Si](C)(C)C(C)(C)C)cc2Cl)C2CCS(=O)(=O)C2)cc1,HXDCPAYRFFOLQS-UHFFFAOYSA-N
-rxn:4:184053:223190,CNS(=O)(=O)c1ccc(F)cc1-c1cc(CN(C)C(=O)OC(C)(C)C)cc(C(C)(C)C)c1,GXMNUVRBUILXQN-UHFFFAOYSA-N
-rxn:4:184065:225575,COC(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)cc2)cc1C1CC1,VRPCHZIHTYXVTJ-UHFFFAOYSA-N
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-rxn:4:187148:224302,CC(C)(C)[Si](C)(C)Oc1c(Cl)ccc(-c2ccc(CC(=O)N3CCCC(C(F)(F)F)C3)cc2F)c1F,AHVYYVVLILCWSE-UHFFFAOYSA-N
-rxn:4:187149:223625,Cc1cc(C(C)(C)C)ccc1OCc1ccc(-c2ccc(CC(=O)N3CCC(C(F)(F)F)CC3)cc2F)cc1,PBNSUDOTTFRHSO-UHFFFAOYSA-N
-rxn:4:187151:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2cc(F)ccc2CC(=O)N2CCCC(C(F)(F)F)C2)c1,JVAGJRKPMZWEBE-UHFFFAOYSA-N
-rxn:4:187151:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(F)ccc1CC(=O)N1CCCC(C(F)(F)F)C1,YZORMTXZRPBUSI-UHFFFAOYSA-N
-rxn:4:187180:224740,CC1CCCCN1C(=O)COc1ccc(-c2cccc(S(=O)(=O)N(C)C(C)(C)C)c2)cc1,RCPSFVHSKHEZFV-UHFFFAOYSA-N
-rxn:4:187185:222539,COC(=O)C1(C)CCN(Cc2ccc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)cc2)C1,XYLHOWZGDVHIFZ-UHFFFAOYSA-N
-rxn:4:187198:222521,COC(=O)c1cc(CN2CCCCC2)cc(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)c1,VLTOWASBDWQXLO-UHFFFAOYSA-N
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-rxn:4:187215:225124,COC1CCN(C(=O)Cc2cc(F)ccc2-c2ccnc(OCC3CCOCC3)c2)CC1,XOENXRUIRAIJMT-UHFFFAOYSA-N
-rxn:4:187226:223044,CC(C)NC(=O)c1ccc(-c2ccc(N(C(=O)C(C)C)C3C=CS(=O)(=O)C3)cc2)cc1F,ZYGHMNHHWOWOQV-UHFFFAOYSA-N
-rxn:4:187249:225873,COC(=O)c1ccc(-c2cccc(N3CCOCC3=O)c2)c(CN2CCC(F)(F)CC2)c1,OXPLXUWCTXGDBL-UHFFFAOYSA-N
-rxn:4:187252:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(F)c(CCN3CCC(C(F)(F)F)CC3)c2)c1,OWCKBUWMOUYYTO-UHFFFAOYSA-N
-rxn:4:187276:228266,CSc1c(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)ccc(C)c1Cl,FCQDQHWKQUYQDT-UHFFFAOYSA-N
-rxn:4:187283:223579,COCC1CCN(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)cc2)CC1,HXCIBQZLXZKPHF-UHFFFAOYSA-N
-rxn:4:187323:224616,CC1CCN(Cc2ccc(-c3ccccc3OCCN3CCOCC3)cc2OC(F)(F)F)CC1,YQBANPALMKIOJG-UHFFFAOYSA-N
-rxn:4:187352:223941,CC(C)[Si](c1ncc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)s1)(C(C)C)C(C)C,NTINOSBFVMFEAS-UHFFFAOYSA-N
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-rxn:4:187441:224393,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)o2)C1,ARHQRPCOELJPGS-UHFFFAOYSA-N
-rxn:4:187493:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccccc2C2CN(C(=O)OC(C)(C)C)CCO2)c1,NVNBHUZSZLEKAD-UHFFFAOYSA-N
-rxn:4:187497:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc(C3COCCN3C(=O)OC(C)(C)C)c2)cc1,IDMRETAPUIKUSJ-UHFFFAOYSA-N
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-rxn:4:187581:222707,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccnc(CNC(=O)OC(C)(C)C)c2F)co1,NMRBXGMUTIWPDD-UHFFFAOYSA-N
-rxn:4:187592:225743,COC(=O)Cc1ccc(OC)c(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)c1,VYUJAWYQIRXDPN-UHFFFAOYSA-N
-rxn:4:187597:224406,O=C(c1cccc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1)N1CC(S(=O)(=O)C2CCCCC2)C1,NMYKRAPENBKVHR-UHFFFAOYSA-N
-rxn:4:187603:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cccc(C(=O)c4ccccc4CN4CCCCC4)c3)ccc2F)CC1,SJNJOXZNJPERAK-UHFFFAOYSA-N
-rxn:4:187630:223933,CC(C)(C)OC(=O)n1c(-c2ccc(CCC(=O)N3CCC(=C4CCC4)CC3)cc2)cc2cc(F)ccc21,YIHOKVADXWIIMQ-UHFFFAOYSA-N
-rxn:4:187632:222973,CC(C)(C)NC(=O)c1cccc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)c1,OMWSUZSPMAYUNX-UHFFFAOYSA-N
-rxn:4:187633:225747,Cc1ccc(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)n1C(=O)OC(C)(C)C,CNIIHXIHMUCXSE-UHFFFAOYSA-N
-rxn:4:187634:223968,O=C(C1CCCCC1)N(c1ccc(-c2cc(OC(F)(F)F)ccc2-c2ccccc2)cc1)C1C=CS(=O)(=O)C1,XYUANKGDVOACMM-UHFFFAOYSA-N
-rxn:4:187640:222843,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)c(C(=O)NC(C)(C)C)c1,RWDQNDIRZFBBAZ-UHFFFAOYSA-N
-rxn:4:187657:226761,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)cc1-c1ccc(SC)cc1C(F)(F)F,FIXQPFCULVGZPJ-UHFFFAOYSA-N
-rxn:4:187669:222968,CC(C)CNC(=O)c1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1,YFQPBEAXURQULJ-UHFFFAOYSA-N
-rxn:4:187673:224970,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(F)cc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)c1,CETCFCXEVLPGRO-UHFFFAOYSA-N
-rxn:4:187684:225285,CC(C)Cc1ncc(-c2cccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)c2)cc1C(F)(F)F,CBAXWPZMRIFKLA-UHFFFAOYSA-N
-rxn:4:187691:222479,Cc1ccc(CNC(=O)c2cc(F)cc(-c3ccc(C(=O)c4cccc(CN5CCC6(CC5)OCCO6)c4)c(F)c3)c2)cc1,OYJAJGKUQJDIKZ-UHFFFAOYSA-N
-rxn:4:187691:225347,CC(C)Oc1ncc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)c(F)c2)cc1C(F)(F)F,ZXBWNBDGLGUQKS-UHFFFAOYSA-N
-rxn:4:187693:223960,CCN1CCN(C(=O)c2cc(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)c(F)c3)ccc2F)CC1,BGALVHTZOYKMQU-UHFFFAOYSA-N
-rxn:4:187821:222899,CCCCNS(=O)(=O)c1ccc(-c2cccc3c2CN(CC(=O)OC(C)(C)C)C3=O)cc1,GPPGZDREXYEMSH-UHFFFAOYSA-N
-rxn:4:187847:223074,CC(C)(C)OC(=O)N1CCc2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)c(C(F)F)cc21,CXEDTPJWEWYYSO-UHFFFAOYSA-N
-rxn:4:187911:223981,C=C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1,WKCGDZBKWIHNGT-UHFFFAOYSA-N
-rxn:4:187913:222520,COc1ccc2cc(-c3ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c3)ccc2c1CC(=O)N1CCOCC1,HPWRFMNQTIUYPM-UHFFFAOYSA-N
-rxn:4:187943:223776,COc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c2c1CCN(C(=O)OC(C)(C)C)CC2,CMWKKNRVIAVKDO-UHFFFAOYSA-N
-rxn:4:187945:224078,COC(=O)C1=Cc2cc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)ccc2N(CC(C)C)CCC1,YNEBQBCXUGHEQI-UHFFFAOYSA-N
-rxn:4:187956:225189,O=C1C(=Cc2ccc(-c3cccc(CN4C(=O)CCC4=O)c3)cc2)Oc2cc(OC(=O)N3CCOCC3)ccc21,POCAQQGTRMSMQY-UHFFFAOYSA-N
-rxn:4:187967:223576,COc1ccc(C(=O)C2=CN(c3ccc(-c4cccc(OC5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)c3ccccc3S2(=O)=O)cc1,WAUDQCLPASBLIG-UHFFFAOYSA-N
-rxn:4:187986:223928,COc1ccc(CN2C3CCC2(c2ccc(-c4cnc5c(c4)CN(C(=O)OC(C)(C)C)CC5)cc2)CC(=O)C3)cc1,JOPGCRWGEGEEJC-UHFFFAOYSA-N
-rxn:4:188370:223506,Cc1cc(OCC#N)c(F)cc1-c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,RNMZFVXKPPUXNJ-UHFFFAOYSA-N
-rxn:4:188549:223559,COC(=O)c1c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccnc1OC,CNVHATRLVITPSF-UHFFFAOYSA-N
-rxn:4:188572:223559,COC(=O)c1ncc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1OC,MVSBIDMNYUFAAI-UHFFFAOYSA-N
-rxn:4:189322:223608,CC(C)(C)OC(=O)c1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cnc1Cl,FJPREPIOOIOKRG-UHFFFAOYSA-N
-rxn:4:189391:222706,O=C(c1c(-c2cc(C3CCNCC3)ccc2C(F)(F)F)cccc1C(F)(F)F)N1CC(F)(F)C1,QNBNVDCPEHGFGQ-UHFFFAOYSA-N
-rxn:4:189454:223699,COc1c(F)cc(C(=O)N2CCC2)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F,VMIZHBBXXOKIKM-UHFFFAOYSA-N
-rxn:4:189546:223945,O=[N+]([O-])c1ccc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cc1OC1CCCC1,UCFBPHBBDIHZJU-UHFFFAOYSA-N
-rxn:4:189680:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3cc(F)ccc3CC(=O)N3CCCC3)ccc2C1,WGPKYOOPZQGVBB-UHFFFAOYSA-N
-rxn:4:189729:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(C(=O)N3CCCC3)cc2C(F)(F)F)cn1,BNSYNGYYGNAUSE-UHFFFAOYSA-N
-rxn:4:189737:223959,CCN1CCN(C(=O)c2cc(-c3cc(F)ccc3CC(=O)N3CCC(F)(F)C3)ccc2Cl)CC1,QYABPTZXNHWWCO-UHFFFAOYSA-N
-rxn:4:189878:223522,Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])c(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)c2)cc1,LUIVKGMPFGLNAN-UHFFFAOYSA-N
-rxn:4:190033:224190,C#Cc1ccc(-c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2)cc1N1CCCC(C(F)(F)F)C1,JGVUSGLFDIKHLV-UHFFFAOYSA-N
-rxn:4:190035:224764,O=C(Cc1ccc(Cl)c(-c2ccc(C(=O)N3CCOCC3)cc2F)c1)N1CCC(F)(F)CC1,CKIBDGIOKUZFAF-UHFFFAOYSA-N
-rxn:4:190073:224663,CN1CCN(Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCCC(C(F)(F)F)C4)c3)cc2F)CC1,NNCGLFOPTKAKPY-UHFFFAOYSA-N
-rxn:4:190159:223812,CS(=O)(=O)c1ccc(CN2CCC(F)(F)C2)c(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1,NUKZIKFTSNGEAR-UHFFFAOYSA-N
-rxn:4:190166:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)cn1,VHNJQZIFVTVSTP-UHFFFAOYSA-N
-rxn:4:190227:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3cc(S(C)(=O)=O)ccc3CN3CCOCC3)c(F)c2)CC1,AYEDVQPHENICNX-UHFFFAOYSA-N
-rxn:4:190228:224396,Cc1cc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)ccc1S(=O)(=O)N1CCOCC1,MMSKCJGIGNLGAE-UHFFFAOYSA-N
-rxn:4:190272:223659,CC1CCCN(C(=O)Cc2ccc(F)cc2-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)C1,VBLPSYCJZHPQEG-UHFFFAOYSA-N
-rxn:4:190310:222717,Cc1cc(-c2ccc(CN(C)C3CCCCC3)cc2F)c(S(=O)(=O)NC(C)(C)C)cc1F,AWDQLZCEHVZAOP-UHFFFAOYSA-N
-rxn:4:190334:224819,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1N1CCCC(C)C1,SFLKYWQAKIHDPU-UHFFFAOYSA-N
-rxn:4:190380:222723,COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,LYZJOWMUIUIJFX-UHFFFAOYSA-N
-rxn:4:190431:226830,COc1ccc(-c2cc(C(F)(F)F)c(Cl)cc2C)c(C(=O)N2CCC3(CC2)OCCS3)c1,ZUYNFNXLDMRLMM-UHFFFAOYSA-N
-rxn:4:190463:222977,COc1cc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)cc1-c1cc(C(=O)NC2CC2)ccc1C,KITHBCNIFVULRG-UHFFFAOYSA-N
-rxn:4:190468:224867,O=S(=O)(c1ccc(-c2ccc(OCC3CCCCC3)cc2)cc1)N1CCSC(c2cc(F)ccc2F)CC1,UTNXZRWUIZYIAL-UHFFFAOYSA-N
-rxn:4:190475:223786,CN1CCN(CCCOc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2Cl)CC1,NCJVARAVTSBDES-UHFFFAOYSA-N
-rxn:4:190484:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cccc(C(=O)N2CCC(c3ccccc3Cl)S(=O)(=O)CC2)c1,DRKWGWDTXFBFQQ-UHFFFAOYSA-N
-rxn:4:190861:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2cc3c(cc2F)N(C(=O)OC(C)(C)C)CC3)c1,SDNOYSDOHMFJOE-UHFFFAOYSA-N
-rxn:4:190899:224177,CC(C)COc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)cc(Cl)c1OC(C)C,FABRQFKALZIBLU-UHFFFAOYSA-N
-rxn:4:190901:223650,Cc1cc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc2ccn(C(=O)OC(C)(C)C)c12,BTFONSCYPFLKAV-UHFFFAOYSA-N
-rxn:4:190987:222826,C=C1CC2CCC(C1)N2C(=O)Cc1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1,DUPWFPXIMDLTNX-UHFFFAOYSA-N
-rxn:4:190991:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)SCCN(C(=O)OC(C)(C)C)C2,GTWBQVCMTYLTQZ-UHFFFAOYSA-N
-rxn:4:191029:224864,Cc1c(-c2ccc(CN(C(C)C)C(C)C)cc2)ccc2c1CCN(C(=O)OC(C)(C)C)C2,FFSDPOIRHURCCG-UHFFFAOYSA-N
-rxn:4:191029:224970,Cc1c(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)ccc2c1CCN(C(=O)OC(C)(C)C)C2,SFFUDRSXDJAOJY-UHFFFAOYSA-N
-rxn:4:191030:224488,CC(C)N(C(=O)c1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1)C(C)C,SBHJMZISUAOUDO-UHFFFAOYSA-N
-rxn:4:191032:223039,CC(C)NC(=O)c1cc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)ccc1F,JQFSFUTXDPISGP-UHFFFAOYSA-N
-rxn:4:191032:226017,COc1cc(-c2cc3c(s2)C(C)(C)N(C(=O)OC(C)(C)C)CC3)ccc1OC(F)(F)F,KWAXTOIDAWZQHD-UHFFFAOYSA-N
-rxn:4:191042:222603,COc1cc(-c2ccc3c(c2)C(=O)C2(C3)CN(C(=O)OC(C)(C)C)C2)c(Cl)cc1NC(=O)OC(C)(C)C,DRXYIUQEQAMKKL-UHFFFAOYSA-N
-rxn:4:191045:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CN3CCC(C(F)(F)F)CC3)c3ccccc23)c(F)c1,CMPFVKLOIAFIER-UHFFFAOYSA-N
-rxn:4:191057:224075,CC(C)(C)OC(=O)N1Cc2cc(-c3ccc4ccn([Si](C)(C)C(C)(C)C)c4c3)ccc2C2(CC2)C1,GDOQGDDOGJDUJO-UHFFFAOYSA-N
-rxn:4:191058:225190,COC(=O)C1CCN(C2CCc3cc(-c4ccc(N5CCOCC5)cc4OC)ccc32)CC1,NKQNIPHBHKAGRD-UHFFFAOYSA-N
-rxn:4:191062:224846,CCC1CCC(c2ccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)cc2)CC1,JCIYSMKQSBSAIE-UHFFFAOYSA-N
-rxn:4:191062:226444,Cc1nc(C2CCCO2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,JXLPCBGPNHWWQD-UHFFFAOYSA-N
-rxn:4:191062:227092,Cc1nc(C2CCC2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,VTTHYQVILQPZJU-UHFFFAOYSA-N
-rxn:4:191062:227403,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(N2CCCCC2)s1,BYVDADMYHRHSCW-UHFFFAOYSA-N
-rxn:4:191063:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)OC2(CC3=O)CN(C(=O)OC(C)(C)C)C2)c1,JJEXQAYJBFRAQV-UHFFFAOYSA-N
-rxn:4:191090:225752,COC(=O)c1cnc(C(C)C)c(-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)c1,IFSFNSDQYVZZOV-UHFFFAOYSA-N
-rxn:4:191091:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3(C)C)cc1F,WUBIOCNJJIDNFT-UHFFFAOYSA-N
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-rxn:4:199687:226273,CCN(C)C(=O)c1ccc(-c2cccnc2OC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1,LRDCOPYEVVZPNT-UHFFFAOYSA-N
-rxn:4:199704:225975,COc1cccc(C2CC(c3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3)=NN2C(=O)C(F)(F)F)c1OC,DHPFMEGLFXBYJW-UHFFFAOYSA-N
-rxn:4:199717:224973,CN1CCN(Cc2cccc(-c3ccc(CON4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c2)CC1,MEFLETUPHUEPKL-UHFFFAOYSA-N
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-rxn:4:199763:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(CCN2CCN(C(=O)OC(C)(C)C)CC2)ccc1F,QOASMTJMMAPHKP-UHFFFAOYSA-N
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-rxn:4:199785:224713,CCCCOc1ccc(-c2cnc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2C)c(C(F)(F)F)c1,WUEXSOFHBRWNBV-UHFFFAOYSA-N
-rxn:4:199791:227016,C/C=C/COc1ccc(-c2ccc(OC)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,JBHDFKSFJIEREK-VOTSOKGWSA-N
-rxn:4:199812:223603,CC1CN(C(=O)Cc2ccc(F)cc2-c2cc(OCc3cccnc3)c(OC(F)(F)F)cc2Cl)CCN1C(=O)OC(C)(C)C,VTNUBBSDMPUUSQ-UHFFFAOYSA-N
-rxn:4:199813:225559,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(F)cc1-c1ccc(OCC2CCOC2)cc1,CBSTUNRCFLEMPI-UHFFFAOYSA-N
-rxn:4:199821:222803,CCOc1ccc(N=C2SC(=Cc3ccc(OC)c(-c4ccc(C5CCNC5)c(C(F)(F)F)c4)c3)C(=O)N2CC)cc1,SYJZRIXNNHRRIW-UHFFFAOYSA-N
-rxn:4:199832:222927,Cc1nc(N2CCCCC2O)ncc1-c1ccc(F)cc1CCN1CCN(C(=O)OC(C)(C)C)C(C)C1,LYJBBIUXOFUAED-UHFFFAOYSA-N
-rxn:4:199845:224663,COc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(OC)cc1-c1ccc(CN2CCN(C)CC2)c(F)c1,FCHFBFBBVURWFB-UHFFFAOYSA-N
-rxn:4:199845:225114,COc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(OC)cc1-c1csc(CO[Si](C)(C)C(C)(C)C)c1,HOTPMMHMJVVDPZ-UHFFFAOYSA-N
-rxn:4:199849:223279,C[C@@H]1CN(S(=O)(=O)c2cc(-c3cnc(C4CCCN4)nc3)cc(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,JKEBJSOQOFNKNU-UJONTBEJSA-N
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-rxn:4:199861:222586,Cc1cc(OC2CCN(C(=O)CCc3ccccc3-c3ccc(C(=O)NCCc4ccc(F)cc4)s3)CC2)cc(=O)n1C,SYCOCOBKCHNSJU-UHFFFAOYSA-N
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-rxn:4:202310:222847,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc(C2CCCNC2)c1,AZUFIDYFJHLFFS-UHFFFAOYSA-N
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-rxn:4:202606:227580,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1cc(OC)c(OC)cc1Cl,BZHZZZXDHIZDOL-UHFFFAOYSA-N
-rxn:4:202641:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)N(c1ccc(N(C)C)cc1)C=C(C(=O)OC)S2(=O)=O,DXFKIJKBULMLNO-UHFFFAOYSA-N
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-rxn:4:203478:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(OC4CCOCC4)c(C#N)c3)cc2)CC1,NUHQSGSRVRSNCC-UHFFFAOYSA-N
-rxn:4:203510:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CN4CCC(C#N)CC4)o3)ccc2OC)CC1,ZUILHIIZOVGHEB-UHFFFAOYSA-N
-rxn:4:203613:223815,COC(=O)c1nc(N2CCC(F)(F)C2)ccc1-c1ccc(Cl)c(CN2CCC3(CC2)OCCO3)c1,RQDGKRAEFZWTII-UHFFFAOYSA-N
-rxn:4:203677:222821,CC1=C(C#N)CCC(=O)N1Cc1ccc(-c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1,VRTAALDMUODPFO-UHFFFAOYSA-N
-rxn:4:203693:222540,N#Cc1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cc1N1CCCC(C(F)(F)F)C1,IGOAGINSBTXTFO-UHFFFAOYSA-N
-rxn:4:203724:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NN4CCCCC4)cc3)c3ccccc23)CC1,WXXQHGFVFWLSFA-UHFFFAOYSA-N
-rxn:4:203757:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cncc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,KQHFUUYJOCDJBO-UHFFFAOYSA-N
-rxn:4:203821:222616,CN1CCN(C(=O)Cc2cc(F)ccc2-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)CC1,CEABXYPYWVEFBV-UHFFFAOYSA-N
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-rxn:4:203884:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1,DVNQRKPSNLZNQJ-UHFFFAOYSA-N
-rxn:4:203913:223810,Cc1cc(-c2nc(-c3ccccc3C(F)(F)F)cc(C(C)(C)C)n2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,HCSJROCDHMNATF-UHFFFAOYSA-N
-rxn:4:203932:225181,COc1cc(N2CCC(C)CC2)c(-c2cccc(CN3CCOCC3)c2F)cc1[N+](=O)[O-],KOXIJYYGDKXQKZ-UHFFFAOYSA-N
-rxn:4:203938:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)cc1,YHQVYNGHWIBPFR-UHFFFAOYSA-N
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-rxn:4:203987:226100,CCC(C)COc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)cc1,UDGCUOBERLXKAK-UHFFFAOYSA-N
-rxn:4:204000:224396,CCN1CCN(Cc2cc(C)cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)c2)CC1,MPLFXPLEWYMQQK-UHFFFAOYSA-N
-rxn:4:204019:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccccc1CN1CCN(S(C)(=O)=O)C(C)C1,ZZPZDGBDXZUPDN-UHFFFAOYSA-N
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-rxn:4:204096:224426,CC(C)N1CCN(C(C)c2cccc(-c3cc(C4CCCCC4)cc(C4CC4)c3)c2)CC1,DJDQPVBGYXRIIK-UHFFFAOYSA-N
-rxn:4:204114:223076,O=C(c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)o1)N1CCCN(C2CCSCC2)CC1,QLTPHRWRGNFJNH-UHFFFAOYSA-N
-rxn:4:204115:223072,CCCNS(=O)(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)cc1,ZABSZNBUZLWIFJ-UHFFFAOYSA-N
-rxn:4:204115:225716,COCCOCc1cc(F)ccc1-c1ccccc1S(=O)(=O)N1CCCN(C2CCC2)CC1,NVCWDWJNKGLSDY-UHFFFAOYSA-N
-rxn:4:204134:225009,Cc1cnc(OC2CCCCC2)c(-c2ccccc2S(=O)(=O)N2CCCN(C3CCOC3)CC2)c1,TUZUKAQMPWQWPS-UHFFFAOYSA-N
-rxn:4:204135:227291,CN(C)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)cc1F,AVCPFUKCTXYACF-UHFFFAOYSA-N
-rxn:4:204156:224396,Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cc3)CC2)c1,FIEHRQCUSWNBNS-UHFFFAOYSA-N
-rxn:4:204156:224718,Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3)CC2)c1,MVQXCONJNIKDOI-UHFFFAOYSA-N
-rxn:4:204166:225284,CC(C)Cc1cc(-c2ccc(CN3CCCCC3C)c(N3CCOCC3)c2)cnc1C(F)(F)F,MUWIYHSQQDSKGZ-UHFFFAOYSA-N
-rxn:4:204180:225990,CCCCn1nc(C(F)(F)F)cc1-c1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)c(C)cc1C,PQXRXNAWYPFTAP-UHFFFAOYSA-N
-rxn:4:204181:223598,Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)cc3C)CC2)c(C)c1,QWVUDSXBPMDPPZ-UHFFFAOYSA-N
-rxn:4:204496:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2nc3c(s2)C(=O)CN(C(=O)OC(C)(C)C)C3)c1,UBDDMSRWNYQOKP-UHFFFAOYSA-N
-rxn:4:204572:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2n1CCN(C(=O)OC(C)(C)C)C2,YNKLRYLLGGIQNR-UHFFFAOYSA-N
-rxn:4:204577:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(=O)n(C)n(C(=O)OC(C)(C)C)c4c3)c(F)ccc21,TWEOAGLUTCKYEE-UHFFFAOYSA-N
-rxn:4:204681:223583,COC(=O)c1ccc2c(-c3ccc4c(n3)N(C(=O)OC(C)(C)C)CC4(C)C)cn(C(=O)OC(C)(C)C)c2c1,XQLMZZAKDQEKLF-UHFFFAOYSA-N
-rxn:4:204683:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnc2c(c1)N(C(=O)OC(C)(C)C)CC2(C)C,COIZSJBBHANRPP-UHFFFAOYSA-N
-rxn:4:204694:225638,CC1CCN(c2ccc(-c3ccc(N4C(=NC(=O)C5CC5)SC5CS(=O)(=O)CC54)cc3)cn2)CC1,XYCCBTSQMCNPRK-UHFFFAOYSA-N
-rxn:4:204710:225156,CC(C)(C)[Si](C)(C)O[C@@H]1COc2c(-c3cc(C(=O)N4CCCC4)ccc3F)cnn2C1,ARJHYKJJFCEKNY-KRWDZBQOSA-N
-rxn:4:204719:222539,CCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)ccc21,ZCJATGJXSVXLEV-UHFFFAOYSA-N
-rxn:4:204722:223977,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2cc(C(F)(F)F)ccc2C(=O)OC(C)(C)C)c1,KVZHDFFMCZTAMS-UHFFFAOYSA-N
-rxn:4:204752:223951,CN1CCN(CCOc2ccc(-c3ccc(C(=O)N=C4SC5CS(=O)(=O)CC5N4c4ccccc4)cc3)cc2F)CC1,ZKYZIBCNBURRQL-UHFFFAOYSA-N
-rxn:4:204764:228214,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)cc3F)cc2)C1,VDVDCIGLZAYOIN-UHFFFAOYSA-N
-rxn:4:204764:228230,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)c(Cl)c3)cc2)C1,YCWDJHOADGINRN-UHFFFAOYSA-N
-rxn:4:204780:223157,CCNC(=O)c1cc(F)cc(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,ZGLISJIUJWMJAU-UHFFFAOYSA-N
-rxn:4:204798:222772,O=C(NC1CCCC1)c1cc(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)c2)ccc1Cl,OBFKWYPOBOAUQA-UHFFFAOYSA-N
-rxn:4:204798:222978,O=C(NC1CCC1)c1ccc(-c2cccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)c2)cc1,UVBPMFMEZRUGAM-UHFFFAOYSA-N
-rxn:4:204799:224372,O=C(C1=CN(c2ccc(-c3cc(C(=O)N4CCCC4)cc([N+](=O)[O-])c3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,JKHDCFRQICGDTH-UHFFFAOYSA-N
-rxn:4:204807:224406,Cc1ccc(N2C(=NC(=O)c3ccc(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)cc3)SC3CS(=O)(=O)CC32)cc1,ZOVFCYSFRNVTQP-UHFFFAOYSA-N
-rxn:4:204808:223742,CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)cc1,WGIUNJYMYOLJCV-UHFFFAOYSA-N
-rxn:4:204843:225095,CCOC(=O)c1ccc(OCC)c(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(F)cc43)cc2C)c1,ZLCGVJMDZLYMTQ-UHFFFAOYSA-N
-rxn:4:204853:224312,Cc1cccc(C)c1N1C(=O)N(Cc2cccc(-c3ccc(F)c(C(=O)N4CCN(C)CC4)c3)c2)c2ccccc2S1(=O)=O,CNVGAEVGKHGIJS-UHFFFAOYSA-N
-rxn:4:204860:227572,COC(=O)c1cccc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1Cl,ZZDPTBRGSGNSNK-UHFFFAOYSA-N
-rxn:4:204897:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3c4c([nH]c3c2)CN(C(=O)OC(C)(C)C)CC4)cc1,RYPFVOAQWNYJKD-UHFFFAOYSA-N
-rxn:4:204946:224421,Cc1ccc(N2C(=O)N(C(=O)c3ccc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)o3)C3CC2(C)Oc2ccccc23)cc1,SUGQEEUSHWTIII-UHFFFAOYSA-N
-rxn:4:204948:222845,CC(c1ccc(-c2ccc(C(=O)N3C(=O)N(c4ccc(Cl)cc4)C4(C)CC3c3ccccc3O4)cc2)cc1)N1CCNCC1,CDRVAJGCYFRNGU-UHFFFAOYSA-N
-rxn:4:204990:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c(F)c(C#N)c(F)c(F)c3C#N)cc2)CC1,ZHOSJXMPRYPGGJ-UHFFFAOYSA-N
-rxn:4:205211:222426,COC(=O)c1cnc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)n1C,YFADTOGNLORQKP-UHFFFAOYSA-N
-rxn:4:205897:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc(C(=O)N4CCOCC4)cs3)cc2F)CC1,QEBRUWVIMXBTDN-UHFFFAOYSA-N
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-rxn:4:206250:223831,COc1ccc(-c2cc(C#N)ccc2N2CCC(F)(F)C2)cc1S(=O)(=O)N1CCC(C)CC1,QLYMOOUTFQUOEX-UHFFFAOYSA-N
-rxn:4:206357:223840,COc1ccc(-c2ccncc2C(=O)N2CCSCC2)cc1S(=O)(=O)N1CCN(C)CC1,XORVDEJSGPEUPZ-UHFFFAOYSA-N
-rxn:4:206397:223490,Cc1ccc(-c2cc(C#N)cc(N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,GIKOWBRAZMWWRK-UHFFFAOYSA-N
-rxn:4:206406:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cc(N3CCOCC3)ccc2C#N)c1,DMCYKVGOWCRCJS-UHFFFAOYSA-N
-rxn:4:206484:223669,CN(c1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cs1)C1CCOCC1,WEQSVLJANCXWCO-UHFFFAOYSA-N
-rxn:4:206542:222648,Cc1cc(C)c(-c2cc(C(F)(F)F)cnc2N2CCOCC2)cc1NC(=O)OC(C)(C)C,XHJMVUDBSBMBHJ-UHFFFAOYSA-N
-rxn:4:206626:223531,Cc1cc(C)c(S(=O)(=O)n2cccn2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,PNGKDQQRWMNJLR-UHFFFAOYSA-N
-rxn:4:206651:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(C(=O)N3CCC(F)(F)CC3)c(Cl)c2)CC1,MBUNYQGRRUYDRR-UHFFFAOYSA-N
-rxn:4:206739:224312,CN1CCN(C(=O)c2cc(-c3cnccc3N3CCCC(C(F)(F)F)C3)ccc2F)CC1,BDXRBQSPSNEJMQ-UHFFFAOYSA-N
-rxn:4:206771:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1cc(C(F)(F)F)cnc1N1CCC(F)(F)CC1,VFYBDAHKKPXYSL-UHFFFAOYSA-N
-rxn:4:206807:224167,CN(Cc1ccc(-c2ccc(C=C3SC(N4CCOCC4)=NC3=O)o2)cc1)C(=O)OC(C)(C)C,DWMAWDRDTUCJAW-UHFFFAOYSA-N
-rxn:4:206919:222543,CN1CCN(Cc2cc(Cl)ccc2-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)CC1,ZPQRPMLELMEMRZ-UHFFFAOYSA-N
-rxn:4:206955:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c2)C1,XFZDTVMAJHDCIG-UHFFFAOYSA-N
-rxn:4:207019:224778,Cc1cc(-c2c(F)cc(OC3CCOCC3)cc2F)cc(C(=O)N2CCN(C)CC2)c1F,ZJMRFRASNFZTER-UHFFFAOYSA-N
-rxn:4:207026:224497,CCN1CCN(Cc2ccc(-c3cncc(C(=O)N4CCC5(CC4)OCCO5)c3)cc2)CC1,XBRVWHVYWCNPTC-UHFFFAOYSA-N
-rxn:4:207026:225179,O=C(c1cncc(-c2cccc(Cl)c2CN2CCOCC2)c1)N1CCC2(CC1)OCCO2,BPVOSMCGWABLRJ-UHFFFAOYSA-N
-rxn:4:207053:224280,CN1CCCN(Cc2ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc2F)CC1,GIUKKYFBLYBWFE-UHFFFAOYSA-N
-rxn:4:207054:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc(C)c(F)c(CN2CCN(C)CC2)c1,XIWOHHHLEILVDC-UHFFFAOYSA-N
-rxn:4:207056:224662,CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2cc(F)ccc2CN2CCN(C)CC2)CC1,WSYMQWUDLJKOHJ-UHFFFAOYSA-N
-rxn:4:207058:222812,Cc1cc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)ccc1S(=O)(=O)N1CCN(C)CC1,QRSBFKGSCGSAKM-UHFFFAOYSA-N
-rxn:4:207736:222522,COc1ccc(-c2ccc(OC3CC4CCC(C3)N4C)nc2)cc1S(=O)(=O)N1CCC(O)CC1,QAQMZGBPFMRWJX-UHFFFAOYSA-N
-rxn:4:207779:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)cc1S(=O)(=O)NC1CCCC1,XRHZQGTWZRYGOX-UHFFFAOYSA-N
-rxn:4:207857:225903,CON(C)C(=O)c1cc(-c2ccc(C(=O)N3C4CCC3CC3(C4)CN(C)C(=O)C(C)O3)o2)ccc1F,FAFJKXZJWAACRY-UHFFFAOYSA-N
-rxn:4:207890:222926,Cc1nc(N2CCCC(O)C2)ncc1-c1cnn(CC23CC4CC(CC(C4)C2)C3)c1C,ATQCNZMJDGWDTM-UHFFFAOYSA-N
-rxn:4:207890:224662,Cc1c(-c2cc(F)ccc2CN2CCN(C)CC2)cnn1CC12CC3CC(CC(C3)C1)C2,WPSGGSLTSDBYEV-UHFFFAOYSA-N
-rxn:4:207959:225438,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C(C)N5CCCC5)cc4)ccc2OC3C2CCCCC2)cc1,KCCYDGVWKAQTIM-UHFFFAOYSA-N
-rxn:4:208159:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(Cl)cnc3[N+](=O)[O-])cc2F)CC1,DSEBWMMBWBZWJY-UHFFFAOYSA-N
-rxn:4:208967:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2nnc(C3CCCC3)s2)CC1,RBWKRRJJOBEQFE-UHFFFAOYSA-N
-rxn:4:209205:223502,Cc1c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cnn1C(C)C,UHQZHZHSFVEDDI-UHFFFAOYSA-N
-rxn:4:209239:223521,CC(c1cccc(-c2cncc(C3=NCCC3)c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,JMSMHVSDVKCJLP-UHFFFAOYSA-N
-rxn:4:209639:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)c(F)c3)cc2F)CC1,FZRDOOITJSDSEX-UHFFFAOYSA-N
-rxn:4:209688:223696,O=S(=O)(c1ccc(-c2cccc(N=S3(=O)CCCC3)n2)cc1)N1CCC2(CC1)OCCO2,VRJVWIKALUZXDR-UHFFFAOYSA-N
-rxn:4:209841:223671,CC1CCCN(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)nc2)C1,PGIKZQRWQDMWAR-UHFFFAOYSA-N
-rxn:4:211073:224863,CC(C)N(Cc1ccccc1-c1ccc2c(c1)N1CCCCC1=C(C#N)S2(=O)=O)C(C)C,AACHDZXMDKYIQC-UHFFFAOYSA-N
-rxn:4:211100:223064,CC1CCC2(CC1)Oc1ccc(-c3ccc(C4CCNCC4)nc3F)cc1C1CC(c3ccc(Cl)cc3)=NN12,RLBPGAGVFAMVTH-UHFFFAOYSA-N
-rxn:4:211101:225830,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCCCC5)nc4C)ccc2OC32CCC(C)CC2)cc1,HJILHFDHCDHZTQ-UHFFFAOYSA-N
-rxn:4:212412:223498,Cc1c(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)c2c(=O)n(C)ccn2c1C,CHFADXQPXOVKRO-UHFFFAOYSA-N
-rxn:4:212527:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(C(=O)COc5ccc(Cl)cc5)C4)c3)c(F)cc2C)CC1,HSVURYOPSZFBGF-UHFFFAOYSA-N
-rxn:4:212532:225295,O=C(c1cccc(OC(F)(F)F)c1)N1CC(Cn2cc(-c3ccccc3S(=O)(=O)N3CCCC3)cn2)C1,APQIXKFEAXHTEK-UHFFFAOYSA-N
-rxn:4:212540:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnn(CC3CN(CCOc4ccccc4)C3)c2)c(C(F)(F)F)c1,SYJIKGIHTJITMN-UHFFFAOYSA-N
-rxn:4:212547:224759,CCOCCN1CCC(Oc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,UJECPMQPTOIWOZ-UHFFFAOYSA-N
-rxn:4:212549:222396,CCOC(=O)N1CCN(C(C#N)c2cccc(-c3ccc(C(=O)NC4CCC(O)CC4)cc3)c2)CC1,SHQLXIWRRILNQP-UHFFFAOYSA-N
-rxn:4:212549:224956,CCOC(=O)N1CCN(C(C#N)c2cccc(-c3cccc(O[Si](C)(C)C(C)(C)C)c3)c2)CC1,LEWSBTFXADMQEW-UHFFFAOYSA-N
-rxn:4:212556:222522,COc1ccc(-c2cnc(OC3CCN(C(=O)CSc4ccc(F)cc4)C3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,QUICPHVTJIJPDZ-UHFFFAOYSA-N
-rxn:4:212567:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cnc(OC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)C2)nc1,VJQSDMAAMQWJDX-UHFFFAOYSA-N
-rxn:4:212567:224588,CC1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)C4)nc3)c2)CC1,GMQWOCQYUYFIIO-UHFFFAOYSA-N
-rxn:4:212585:224588,CC1CCN(Cc2cc(F)cc(-c3cnn(C)c3CN(C(=O)OC(C)(C)C)C(C)C)c2)CC1,HULGTDXTEBAKSI-UHFFFAOYSA-N
-rxn:4:212592:225952,Cc1nc(N2CCOCC2)ncc1-c1cccc(CCCC2(C(=O)N(C)C)CCN2C)n1,IXAYRTGFMZSCIQ-UHFFFAOYSA-N
-rxn:4:212594:222930,O=C(CSC1CCCC1)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCCC(O)C4)c3)cn2)C1,AXYDSBMWPOJHLN-UHFFFAOYSA-N
-rxn:4:212621:224756,O=C(Cc1ccc(F)cc1)N1CCC(COc2ncc(-c3cc(F)ccc3C(=O)N3CCOCC3)cn2)CC1,IRIJTRNYDAXHMN-UHFFFAOYSA-N
-rxn:4:212622:224589,CC1CCN(Cc2cc(F)ccc2-c2cnc(OCC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)CC1,XNPSBUFAZAFACT-UHFFFAOYSA-N
-rxn:4:212622:225007,O=C(Cc1ccc(F)cc1)N1CCCC(COc2ncc(-c3cccc(CN4CCCCC4)c3F)cn2)C1,RMQUMUZRDFUQBY-UHFFFAOYSA-N
-rxn:4:212636:224992,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3ccccc3CN3CCC(=O)CC3)cn2)CC1,VUQVFUAGZJVQES-UHFFFAOYSA-N
-rxn:4:212637:225558,CN(C(=O)c1ccc(-c2ccccc2OCC2CCOC2)nc1)C1CCN(C(=O)OC(C)(C)C)C1,RPGISMMNPKYJPF-UHFFFAOYSA-N
-rxn:4:212657:224761,COc1ccccc1CN1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cn2)C1,VYGPGJTXQNBLQT-UHFFFAOYSA-N
-rxn:4:212677:223750,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(-c4ccc5cccnc5c4O[Si](C)(C)C(C)(C)C)cc3)CC2)nn1,QUEQRLXLJQIUEP-UHFFFAOYSA-N
-rxn:4:212678:224398,Cc1cnc(OCC2CCCN(C(=O)Cc3ccccc3-c3cc(S(=O)(=O)N4CCCC4)c(C)cc3F)C2)nc1,IRXHCZZXIVOXKI-UHFFFAOYSA-N
-rxn:4:212715:224415,O=C(CSc1ncc(-c2ccc(-c3ccnc(C(F)(F)C(F)(F)C(F)(F)F)c3)cc2)n1-c1cccc(Cl)c1)N1CCCCC1,PULVFLWUQFBMTG-UHFFFAOYSA-N
-rxn:4:212721:225768,COc1cc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(=O)C(C)C)CC3)n2)cc(Cl)c1OC(C)C,PIJKYTAKDWDNAN-UHFFFAOYSA-N
-rxn:4:212727:223651,Cc1ccccc1-n1c(-c2ccc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3C)cc2)cnc1SCC(=O)N1CCCCC1,AQHUANRCJYVXMH-UHFFFAOYSA-N
-rxn:4:212743:223495,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)c5ccccc45)cc3)CC2)CC1,IEUGLZVTMAEPLD-UHFFFAOYSA-N
-rxn:4:212769:226470,CCOC(=O)CCc1cc(-c2c(C(=O)OCC)nc3n2CCN(C(=O)OC(C)(C)C)C3)cs1,HWGJQMUQQTVCKE-UHFFFAOYSA-N
-rxn:4:212771:222857,COc1cc(-c2ccc3nc(N(CCN(C)C)C(=O)C4=COCCO4)sc3c2)cc(C2CCNCC2)c1,BKWVUBINTPMDJO-UHFFFAOYSA-N
-rxn:4:212791:223958,CCOC(=O)c1nn2c(c1-c1ccc(C(=O)N3CCN(CC)CC3)c(F)c1)CN(C(=O)OC(C)(C)C)CCC2,KGDDFKHSDAVTMS-UHFFFAOYSA-N
-rxn:4:212879:223490,COCCN1CC(Cn2cc(-c3ccc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,MKTASLBNAAXMSJ-UHFFFAOYSA-N
-rxn:4:212917:222820,COC(=O)CN1CCC(Cn2cc(-c3ccc(S(=O)(=O)NC(C)(C)C)c(F)c3)cn2)CC1,PJBJAHJTQXQFSH-UHFFFAOYSA-N
-rxn:4:212918:223844,CC(C)(C)OC(=O)N1CC(Cn2cc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cn2)C1,ZIJIDGHIVZQZOF-UHFFFAOYSA-N
-rxn:4:212936:225281,CC(=O)OCCN1CCN(c2ccc(-c3cc(Cl)nc(C(=O)OC(C)(C)C)c3)cn2)CC1,JUQXRNCMXYMVOG-UHFFFAOYSA-N
-rxn:4:212944:227699,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cc(OC)nc(OC)c2Cl)CC1,HZWPFZBJIFGTRT-UHFFFAOYSA-N
-rxn:4:212952:223592,Cc1c(C(=O)OCc2cccc(Cl)c2)nnn1-c1ccccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl,GJBHPZRKRLXPOQ-UHFFFAOYSA-N
-rxn:4:212978:224408,COc1ccc(F)cc1S(=O)(=O)N1CC(Cn2cc(-c3cc(C(F)(F)F)nn3C(=O)OC(C)(C)C)cn2)C1,SZSLTWYDDDUFJP-UHFFFAOYSA-N
-rxn:4:212990:223638,Cc1cccc(CC(=O)N2CC(Cn3cc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cn3)C2)c1,FOMCYJJNDZXFBI-UHFFFAOYSA-N
-rxn:4:212991:223162,CNC(=O)c1ccc(OC)c(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)c1,WORABOUMDDGYCW-UHFFFAOYSA-N
-rxn:4:212991:224256,CC1CCCCN1C(=O)c1cc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)ccc1Cl,UKZCJSMBMZVYBS-UHFFFAOYSA-N
-rxn:4:213011:226009,COc1cc(OC(F)(F)F)ccc1-c1cnc(OCC2CCCN(C(=O)C(C)C)C2)nc1,NJONQKCBMIRGTO-UHFFFAOYSA-N
-rxn:4:213053:222655,O=C(NC1CCCCC1)c1ccc(-c2cnc(OCC3CCCN(C(=O)C4CC(F)(F)C4)C3)nc2)cc1Cl,ZBCOQOSPBURQCH-UHFFFAOYSA-N
-rxn:4:213073:224677,CC(C)(C)OC(=O)N1CCC(Cn2nccc2-c2ccc(Cl)c(C(=O)N3CCCCC3)c2)CC1,YITJVBTVODMWOT-UHFFFAOYSA-N
-rxn:4:213078:227976,CC(C)(C)OC(=O)N1CCC(n2ncc(-c3ccc([Si](C)(C)C)cc3)c2C(F)F)CC1,LUCSOXHXMMNUEB-UHFFFAOYSA-N
-rxn:4:213112:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccccc3S(=O)(=O)N3CCC(COc4ccc(C)nn4)C3)cc2C)CC1,LXCMFDICKSWVFF-UHFFFAOYSA-N
-rxn:4:213116:222743,CC(c1ccc(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)cc1)N1CCC(O)CC1,LZDQXWIMEQSFGG-UHFFFAOYSA-N
-rxn:4:213133:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)cc1,SOAKAQDXJSAVIY-UHFFFAOYSA-N
-rxn:4:213140:225730,CCCCOc1c(Cl)ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc([N+](=O)[O-])c2)c1F,UJUPMZBCFPLGIB-UHFFFAOYSA-N
-rxn:4:213159:224570,COc1cc(N2CCN(C(=O)Cc3ccccc3-c3ccc(C(C)N4CCN(C)CC4)cc3)CC2=O)ccn1,OZSPWMKIPROWJE-UHFFFAOYSA-N
-rxn:4:213161:225056,COc1cccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(N5CCCC(C)C5)cc4F)cn3)CC2)c1,PGPZEQQMEKEJSE-UHFFFAOYSA-N
-rxn:4:213165:222773,COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C(=O)NC2CCOCC2)cc1,YGLFTBLEXSRFEM-UHFFFAOYSA-N
-rxn:4:213178:224254,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCCC(C)C5)c4)cn3)C2)c(C)o1,JTPJBQAUVLWDQO-UHFFFAOYSA-N
-rxn:4:213186:224991,O=C(C1CC(=O)N(c2cccc(-c3cc(C4CC4)nc(N4CCCC4)c3)c2)C1)N1CC(Oc2cccnc2)C1,CFYRBNPVLWSQOT-UHFFFAOYSA-N
-rxn:4:213197:223559,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4ccc5c(c4)C(C)=CC(C)(C)N5C(=O)OC(C)(C)C)cc3)C2=O)CC1,IUIURNLENOZQCD-UHFFFAOYSA-N
-rxn:4:213203:225215,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4ccnc(N5CCC(C)CC5)c4Cl)cc3)CC2)nn1,RSERBLYLCYMXNU-UHFFFAOYSA-N
-rxn:4:213205:222723,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cc3)C2)nc1,YBUCPDGILRIIEI-UHFFFAOYSA-N
-rxn:4:213226:222897,CCCCNS(=O)(=O)c1cccc(-c2cccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)c2)c1,NTTWEIPPOWBRGV-VWLOTQADSA-N
-rxn:4:213230:224379,CC1CN(C(=O)OC(C)(C)C)CCN1c1cc(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)cc(F)c1[N+](=O)[O-],HPDCWVUEBUCMME-UHFFFAOYSA-N
-rxn:4:213239:224770,Cc1cc(-c2cncc(C(=O)N3CCN(C(=O)C4CC4c4ccc(F)cc4)CC3)c2)cc(S(=O)(=O)N2CCCC2)c1,AJKHBMQAHJHAEU-UHFFFAOYSA-N
-rxn:4:213253:224949,COc1ccc(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)cc1CN1CCCC1,QJDDLFMDPDKHDW-UHFFFAOYSA-N
-rxn:4:213259:224847,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)nc2)CC1(C)C,AODNWPKUOHRCMH-UHFFFAOYSA-N
-rxn:4:213261:225113,CC(C)(C)OOC(=O)c1cccc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)c1,HLXWQVRYYLVIRG-UHFFFAOYSA-N
-rxn:4:213265:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)o1,VKBDMUYBZFMXAQ-UHFFFAOYSA-N
-rxn:4:213269:224016,COc1ccc(-c2cn(S(=O)(=O)N(C)C)nc2-c2ccccn2)c(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)c1,MLZJWBLSLWOTST-UHFFFAOYSA-N
-rxn:4:213271:224789,CCCOc1cc(OC(F)(F)F)cc(-c2ccc(OC)cc2C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,CRDBWHVTEZAVSV-UHFFFAOYSA-N
-rxn:4:213272:226111,CC(C)(C)OCc1ccccc1-c1ccc(OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc1,JWWQEWWQLLEFFS-UHFFFAOYSA-N
-rxn:4:213290:223175,CCS(=O)(=O)Nc1cccc(-c2cnc(OC3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)nc2)c1,LACTVEANFTVPNN-UHFFFAOYSA-N
-rxn:4:213290:224075,CC(C)(C)[Si](C)(C)n1ccc2ccc(-c3cnc(OC4CCCN(C(=O)C5(c6ccccc6)CCOCC5)C4)nc3)cc21,VVSXZSHWPRQBDS-UHFFFAOYSA-N
-rxn:4:213305:222573,CC(=O)N(CCN(C)C)c1nc2ccc(-c3cc(F)cc(C(=O)NCC4CCCCC4)c3)cc2s1,YESWTTAOGVSUSI-UHFFFAOYSA-N
-rxn:4:213355:225005,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4cccc(C(C)N5CCOCC5)c4)cc3nn2C)C1,APDZGIRJZATKEL-UHFFFAOYSA-N
-rxn:4:213355:226889,CC(C)CS(=O)(=O)C1CN(C(=O)c2c3ccc(-c4cc(Cl)cc(C(F)(F)F)c4F)cc3nn2C)C1,BKYYFPYVLUUZML-UHFFFAOYSA-N
-rxn:4:213361:222693,C#CCn1c(=NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)ccc21,XJECHLQXDLHCHM-UHFFFAOYSA-N
-rxn:4:213406:224956,CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(-c4cccc(O[Si](C)(C)C(C)(C)C)c4)cc3s2)CC1,FRMSVDNCIDKJFS-UHFFFAOYSA-N
-rxn:4:213418:223482,O=[N+]([O-])c1ccc2c(c1)c(-c1ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1,PBXBJRSYLJQWOG-UHFFFAOYSA-N
-rxn:4:213428:222436,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cccc(C(=O)Nc5cccc(OC(F)(F)F)c5)c4)ccc3c2)[nH]1,UPIKAHIIXJCLSM-HKBQPEDESA-N
-rxn:4:213441:224762,O=C(Cn1ccc2cc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)ccc21)N1CCN(C(=O)C2COc3ccccc3O2)CC1,VKOZUYCYTROLDV-UHFFFAOYSA-N
-rxn:4:213471:223691,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3cc(OCc4cccnc4)c(C(F)(F)F)cc3Cl)cc2)CC1,ORNIJCIFVNUTEX-UHFFFAOYSA-N
-rxn:4:213471:228232,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(Cl)c(C4CC4)c3)cc2)CC1,JAJUZAXXVKZPGU-UHFFFAOYSA-N
-rxn:4:213471:229190,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3c(Cl)ccnc3F)cc2)CC1,DZQKFBUMQJRUCA-UHFFFAOYSA-N
-rxn:4:213472:227121,CC(C)(C)c1ccc(-c2ccccc2C(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(Cl)c1,JORZVWHKLUJBGN-UHFFFAOYSA-N
-rxn:4:213480:222931,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(Cl)c(N5CCCCC5O)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,YLTSFFUCUMYCDE-MVNUYQQJSA-N
-rxn:4:213480:222998,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C5CCCNC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,KQTLXMBKDDLQNU-BVILEHTCSA-N
-rxn:4:213480:224685,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(C(=O)N5CCC(=O)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,CVBGBXOONWXIFZ-NXEFQXHYSA-N
-rxn:4:213480:226348,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(OC(C)(C)C)cc4Cl)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,YZGKTLVBEHNRHV-IVMILYEGSA-N
-rxn:4:213570:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnn(CCC(=O)N4CCCC4)c3)c2)CC1,IJZPFAAGFMULSD-UHFFFAOYSA-N
-rxn:4:213632:224167,CN(Cc1ccc(-c2nccn2C2CN(C(=O)OC(C)(C)C)C2)cc1)C(=O)OC(C)(C)C,HVCAXPSKBBDILZ-UHFFFAOYSA-N
-rxn:4:213634:223813,Fc1cc(-c2cnn(CC3CCCN(CC(F)(F)F)C3)c2)ccc1CN1CCC2(CC1)OCCO2,KJMYRBJGRNVYQM-UHFFFAOYSA-N
-rxn:4:213634:223991,CC(C)(C)[Si](C)(C)Oc1c(F)cc(F)c(-c2cnn(CC3CCCN(CC(F)(F)F)C3)c2)c1F,IOFDOQIDIHJTSI-UHFFFAOYSA-N
-rxn:4:213692:226276,COc1ccc(-c2cnn(C(C)C(=O)N3CCC(C(F)(F)F)CC3)c2)cc1CN(C)C,CVZUITNPWKGRTN-UHFFFAOYSA-N
-rxn:4:213702:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C#N)ccc1Oc1cnn(C2CCCCO2)c1,ZUKIRDVMGNKVQL-UHFFFAOYSA-N
-rxn:4:213732:223568,Cc1c(C(=O)N2CC(Cn3cc(Cl)cn3)C2)cccc1-c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cl,VJDWDIMNUGRIHD-UHFFFAOYSA-N
-rxn:4:213767:225123,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccncc3OCC3CCCCO3)o2)CC1,QKBNPKRKWHAAPH-UHFFFAOYSA-N
-rxn:4:213801:225519,CCOC(=O)CCc1ccc(-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)n2)cc1,FJDJJRVMYYKJGP-UHFFFAOYSA-N
-rxn:4:213805:225518,CCCCCOc1ncc(C)cc1-c1cnc(C2CN(C(=O)OC(C)(C)C)CCO2)nc1,GHSQQHNHFPHWKS-UHFFFAOYSA-N
-rxn:4:213817:222634,Cc1nc(C)c(C(=O)N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCC4)c(F)c3)C2)s1,VQTYTTBGVLHWME-UHFFFAOYSA-N
-rxn:4:213828:222454,O=C(Nc1ccccc1-c1ccc(S(=O)(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1)c1cccc(C(F)(F)F)c1,QDJFBHLQOBLUCJ-UHFFFAOYSA-N
-rxn:4:213834:224337,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)cn2)C1,QBNYVZDPXMLIKN-UHFFFAOYSA-N
-rxn:4:213834:225176,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc(CN4CCOCC4)c(Cl)c3)cn2)C1,XUTKRNWBQDSINL-UHFFFAOYSA-N
-rxn:4:213846:226589,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1,JIUGOTAHJLSULG-UHFFFAOYSA-N
-rxn:4:213849:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C(=O)C5CCCO5)CC4)nc3)c2)CC1,QDOXDZYDFJSLBU-UHFFFAOYSA-N
-rxn:4:213855:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(OC4CCN(Cc5ccc(F)cc5)CC4)nc3)cc2C1,PEDBPWXTNXBBRO-UHFFFAOYSA-N
-rxn:4:213937:223578,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3cnc(N4CCCCC4)nc3OCc3ccccc3)CC2=O)ccn1,BKIRKSJJMMYGCI-UHFFFAOYSA-N
-rxn:4:213944:222581,CC(C)NS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)[nH]2)c2ccccc12,YSZJDQHMWBHSPP-UHFFFAOYSA-N
-rxn:4:213945:226268,CCCOc1c(SC)cccc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2C)cn1,KQTZXGXJOSVWRR-UHFFFAOYSA-N
-rxn:4:213950:222889,O=S(=O)(C1CCCCC1)N1CCC(Oc2ncc(-c3cc(F)cc(CN4CCNCC4)c3)cn2)C1,YRGYPTNLYGRDBZ-UHFFFAOYSA-N
-rxn:4:213969:224950,COc1ccc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)o2)c(CN2CCCC2)c1,RMPBVBGWAHPRFQ-UHFFFAOYSA-N
-rxn:4:213991:223606,O=S(=O)(c1ccc(-c2cnc(OC3CCN(CC4CCCOC4)CC3)nc2)cc1F)N1CCC2(CC1)OCCO2,NGSUEWJQCUAVSW-UHFFFAOYSA-N
-rxn:4:213999:223597,CC1CN(C(=O)OC(C)(C)C)CCC1c1ncc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cn1,OWMZFJIDTPCBMB-UHFFFAOYSA-N
-rxn:4:214001:225739,CCCCOc1c(F)cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c(F)c2)cc1F,KCUKWQTUXHVZIM-UHFFFAOYSA-N
-rxn:4:214012:222997,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccc(Cl)cc2C2CCCNC2)CC1,JYUZRTLOWIDHBV-UHFFFAOYSA-N
-rxn:4:214015:226285,CC(C)COc1ccc(Cl)c(-c2ccc(CN3CCC(C#N)CC3)c(N3CCOCC3)c2)c1,DJWPEBIFRFERQU-UHFFFAOYSA-N
-rxn:4:214023:224620,Cc1cc(OC2CCCN(C(=O)c3cccc(-c4ccc(CO[Si](C)(C)C(C)(C)C)nc4)c3)C2)nc(C)n1,GCRZLFFVNDORBP-UHFFFAOYSA-N
-rxn:4:214026:225529,CCN(CC)Cc1ccc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1F,YNLFMQACNNZROH-UHFFFAOYSA-N
-rxn:4:214026:227310,CCC(C)c1ncc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc1Cl,RATWAJRLNJJDRA-UHFFFAOYSA-N
-rxn:4:214027:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)ccn2)CC1,BJBGBRKTZRDRIO-UHFFFAOYSA-N
-rxn:4:214027:227464,CCCCSc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cn1,CCBGKPUCCGGETL-UHFFFAOYSA-N
-rxn:4:214033:224831,CC(C)[C@H]1COC(c2cc(-c3ccc(-c4ncon4)cc3C(F)(F)F)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,SAPWUNPXDXAYEI-FGZHOGPDSA-N
-rxn:4:214052:224763,Cc1c(C(=O)N2CCC(N(C)c3ccccn3)CC2)cccc1-c1cc(Cl)ccc1C(=O)N1CCOCC1,YWTXGDDZYQQFAW-UHFFFAOYSA-N
-rxn:4:214056:222693,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)o3)S2)CC1,UCBGRXWICISXLW-UHFFFAOYSA-N
-rxn:4:214056:225664,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccc(N5CCCCC5)cc4Cl)o3)S2)CC1,IEUFCAJTSRVMFB-UHFFFAOYSA-N
-rxn:4:214056:226659,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4cnc(N5CCCC5)c(Cl)c4)o3)S2)CC1,VGIDVMATECUMQF-UHFFFAOYSA-N
-rxn:4:214057:222975,CCN1CCN(Cc2ccc(-c3ccc(C(=O)NC4CC4)cc3C)cc2N2CCCC2)CC1,GTYGMQFKAVBKMS-UHFFFAOYSA-N
-rxn:4:214057:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(CC)CC4)c(N4CCCC4)c3)cc2)CC1,KGBIYYMVYHRCAD-UHFFFAOYSA-N
-rxn:4:214059:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC5(CC4)CN(C(=O)OC(C)(C)C)C5)nc3)c3ccccc23)CC1,UJKHHXKCRZCTTA-UHFFFAOYSA-N
-rxn:4:214069:223521,Cc1ccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(-c5cccc(C(C)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)no3)C2)cc1,MNMZVAOAJCJURF-UHFFFAOYSA-N
-rxn:4:214086:227967,CC(C)N1CCN(Cc2ccc(-c3cccnc3C3CCC3)cc2N2CCCCC2)CC1,VHWRVTXCTCISLR-UHFFFAOYSA-N
-rxn:4:214109:224313,CCOC(=O)c1cnc2c(-c3ccc(Cl)c(C(=O)N4CCN(C)CC4)c3)c(C)nn2c1C(F)(F)F,XVOQHZGUJVJRMA-UHFFFAOYSA-N
-rxn:4:214167:223743,Cc1ccc(-c2cncc(C(=O)OC3CN(c4nc5c(C)cccc5s4)C3)c2)cc1OCCCN1CCC(C)CC1,URBONSMZIQATPL-UHFFFAOYSA-N
-rxn:4:214181:222584,CCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3s2)CC1,HELWXLJGYSUXLW-UHFFFAOYSA-N
-rxn:4:214201:226499,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cccn3C(=O)OC(C)(C)C)cn1)C2,ZRKBCGMPYYGLPI-UHFFFAOYSA-N
-rxn:4:214231:225975,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4ccnc(N5CCOCC5)c4Cl)cccc3n2)C1,BAQVTHCSIUMKAL-UHFFFAOYSA-N
-rxn:4:214287:224009,COc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1S(=O)(=O)N1CCOCC1,DNRSLXCZYNTBQP-UHFFFAOYSA-N
-rxn:4:214628:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(c5nccs5)C(=O)C4)o3)c3ccccc23)CC1,POWBFKMHVURFIO-UHFFFAOYSA-N
-rxn:4:214630:224198,CCN1CCN(Cc2ccc(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)c(F)c2)CC1,SYZDVJDGBMEIQA-UHFFFAOYSA-N
-rxn:4:214653:223687,COC1CCN(c2ncc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2[N+](=O)[O-])CC1,ZEAQFIZIKAYFMX-UHFFFAOYSA-N
-rxn:4:214660:224718,Cn1ncc(-c2ccc(OCCN3CCOCC3)nc2)c1C(=O)N1CCC(C(F)(F)F)CC1,FDMIACFFYKRTSN-UHFFFAOYSA-N
-rxn:4:214677:224396,CCN1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)ccc2C#N)CC1,YRFHAPWVSYBHCA-UHFFFAOYSA-N
-rxn:4:214712:222631,CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)cn1,NGCPSCBLWVFKDT-UHFFFAOYSA-N
-rxn:4:214716:222933,CCN1CCN(c2cc(-c3cnc(NC(=O)OC(C)(C)C)nc3)c(F)cc2[N+](=O)[O-])CC1,RKOZFPVJTDUGLM-UHFFFAOYSA-N
-rxn:4:214731:222468,CC(C)(C)OC(=O)Nc1ccc2cc(-c3cccnc3N3CCN(S(=O)(=O)C4CC4)CC3)ccc2c1,BFBRWJRPPYKGTF-UHFFFAOYSA-N
-rxn:4:214772:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(CC4CCCN(S(C)(=O)=O)CC4)cn3)c3ccccc23)CC1,DMOWXTARFFVXPV-UHFFFAOYSA-N
-rxn:4:214802:225518,CCCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCCC2)C1,TWYSIMXUVIHSBA-UHFFFAOYSA-N
-rxn:4:214805:223075,O=S(=O)(Nc1ccc(-c2ccc(N3CCCN(S(=O)(=O)C4CC4)CC3)nc2)cc1)C1CC1,PZMLLLFAHAAFNZ-UHFFFAOYSA-N
-rxn:4:214819:223028,CCCNC(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1,DCXULSGRPCGFKD-UHFFFAOYSA-N
-rxn:4:214819:224759,O=C(c1cc(F)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c1)N1CCOCC1,AAAQGJLMWRTFTF-UHFFFAOYSA-N
-rxn:4:214836:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)CC1,CMYCAEXEZHOKAA-UHFFFAOYSA-N
-rxn:4:214839:225424,CCCCCC(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)cc1,PQVZDLHEHDIJGU-UHFFFAOYSA-N
-rxn:4:214874:223070,CC(C)(C)OC(=O)Nc1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cs1,WMXNUMOYSUSXDW-UHFFFAOYSA-N
-rxn:4:214875:223755,CC1CCN(CCCOc2ccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)cc2F)CC1,CSMJSSPFRCSOKJ-UHFFFAOYSA-N
-rxn:4:214883:222595,O=C(Nc1ccc(F)c(F)c1)c1cccc(-c2cnccc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c1,UQDREDOHCMMOIR-UHFFFAOYSA-N
-rxn:4:214883:228935,CC(=O)c1cc(Cl)sc1-c1cnccc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,ROBIQTZUSWCFFN-UHFFFAOYSA-N
-rxn:4:214896:224743,Cc1cc(-c2c(F)cc(C(=O)OC(C)(C)C)cc2F)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,ANOZZTWCDKHAFD-UHFFFAOYSA-N
-rxn:4:215063:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cn3c(n2)CN(C(=O)OC(C)(C)C)CC3)c1,ZZYNCCDYSSHNKV-UHFFFAOYSA-N
-rxn:4:215076:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc3[nH]c(C(=O)N4CCC(C#N)CC4)cc3c2)CC1,INGOWCMVFPTUBT-UHFFFAOYSA-N
-rxn:4:215100:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1,CSNCSDIZVJAAIE-UHFFFAOYSA-N
-rxn:4:215170:223508,O=C(c1cncc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,OEZXXSDBVBRPCI-UHFFFAOYSA-N
-rxn:4:215189:224718,CC(C)(C)C(=O)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3s2)CC1,LTCCISJXXWEDGY-UHFFFAOYSA-N
-rxn:4:215195:225209,Cc1nc(N2CCCCC2C)ncc1-c1ccc(C2Cn3nc(C(=O)N4CCOCC4)cc3CO2)cc1,IEOJPSAVCHGTAE-UHFFFAOYSA-N
-rxn:4:215197:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC2CN(c3ccccn3)CC21,NKTZOVKXGLHOGT-UHFFFAOYSA-N
-rxn:4:215198:225227,CC1CCN(c2ncc(-c3ccc4nc(N5CCOC(C(=O)N6CCOCC6)C5)sc4c3)cc2Cl)CC1,NPLMJULJJJRSSE-UHFFFAOYSA-N
-rxn:4:215216:223175,CCS(=O)(=O)Nc1cccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)c1,BYXDLLIVCXPQLG-UHFFFAOYSA-N
-rxn:4:215231:222520,Cc1nc2ccc(-c3ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c3)cc2c(=O)n1CC1CCCN(C(C)C)C1,VNGGZXMGYUTQGL-UHFFFAOYSA-N
-rxn:4:215304:223184,Cc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCNCC5)nc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,BNGJYHQBNGEKRS-UHFFFAOYSA-N
-rxn:4:215707:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(C#N)c(N4CCOCC4)c3)c2Cl)CC1,UNQARUPEJJOSIF-UHFFFAOYSA-N
-rxn:4:215855:222522,COc1ccc(-c2ccc(N3CCN(C(C)=O)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,ZYDLRKBNMOCKBJ-UHFFFAOYSA-N
-rxn:4:215861:222724,CN1CCN(C(=O)c2cc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cnc2Cl)CC1,LLIRIJVTNVHVJU-UHFFFAOYSA-N
-rxn:4:215865:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1nc(C(=O)N2CCN(C)CC2)ccc1F,MAVMZIAUPKPZIV-UHFFFAOYSA-N
-rxn:4:215879:223784,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(N(C)C)C4)nc3)cc2F)CC1,DMBWHZCJSIFGTI-UHFFFAOYSA-N
-rxn:4:215879:223785,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(N(C)C)C4)nc3)cc2Cl)CC1,CHFLDJOVJBTZSX-UHFFFAOYSA-N
-rxn:4:215897:224060,COc1c(C(C)(C)C)cc(-c2c(C)nn(S(=O)(=O)N3CCOCC3)c2C)cc1C(C)(C)C,KYSNIIJTOQYEFB-UHFFFAOYSA-N
-rxn:4:215940:223784,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2F)CC1,LAGVCJKEBUYPSV-UHFFFAOYSA-N
-rxn:4:215940:223786,CN1CCN(CCCOc2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2Cl)CC1,ZIFWVDIABMVWNU-UHFFFAOYSA-N
-rxn:4:215940:223787,CN1CCN(CCCOc2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2F)CC1,PPDYCKSJSQNYSM-UHFFFAOYSA-N
-rxn:4:215941:223784,CCN1CCN(CCOc2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2F)CC1,JCSSUJZSNHQXCR-UHFFFAOYSA-N
-rxn:4:215941:223786,CN1CCN(CCCOc2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2Cl)CC1,CJXRZJVSXXHGFY-UHFFFAOYSA-N
-rxn:4:215941:223787,CN1CCN(CCCOc2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2F)CC1,ZOJOAZBIIBZRMP-UHFFFAOYSA-N
-rxn:4:215943:223784,CCN1CCN(CCOc2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2F)CC1,BWPIYVQMISLZJE-UHFFFAOYSA-N
-rxn:4:215943:223786,CN1CCN(CCCOc2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2Cl)CC1,CFYBVQOURYTKIS-UHFFFAOYSA-N
-rxn:4:215943:223787,CN1CCN(CCCOc2ccc(-c3ccnc(N4CCC(N(C)C)CC4)c3)cc2F)CC1,WEMSADPQUUPGHF-UHFFFAOYSA-N
-rxn:4:215944:223660,CN(C)C1CCN(c2cccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)n2)CC1,YXYCKZHJSJGZBW-UHFFFAOYSA-N
-rxn:4:215944:223786,CN1CCN(CCCOc2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2Cl)CC1,AWHRUDKEEHJNOY-UHFFFAOYSA-N
-rxn:4:215945:223784,CCN1CCN(CCOc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2F)CC1,RLZSJWBNTUGXEM-UHFFFAOYSA-N
-rxn:4:215945:223785,CCN1CCN(CCOc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2Cl)CC1,AGTZBIGAXGGPID-UHFFFAOYSA-N
-rxn:4:215945:223786,CN1CCN(CCCOc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2Cl)CC1,QEXVMLHLXHPPSI-UHFFFAOYSA-N
-rxn:4:215946:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(N4CCCCC4)nc(C(C)C)n3)c(F)cc2C)CC1,MGPBFOFAUNMGQL-UHFFFAOYSA-N
-rxn:4:215953:223784,CCN1CCN(CCOc2ccc(-c3ccc(N4CCC(N(C)C)CC4)nc3)cc2F)CC1,CIWHTKNOLNQXJS-UHFFFAOYSA-N
-rxn:4:215955:223786,CN1CCN(CCCOc2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2Cl)CC1,KCLXEYJPPVZGJZ-UHFFFAOYSA-N
-rxn:4:215956:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)c(F)c2)CC1,WRBWUYJDMICQRS-YHBQERECSA-N
-rxn:4:215956:223784,CCN1CCN(CCOc2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2F)CC1,JKLSHIXJLVWSBD-UHFFFAOYSA-N
-rxn:4:215956:223952,CN1CCN(CCOc2ccc(-c3cncc(N4CCC(N(C)C)CC4)c3)cc2Cl)CC1,OMYKPIBGLUACTC-UHFFFAOYSA-N
-rxn:4:215957:223784,CCN1CCN(CCOc2ccc(-c3cccnc3N3CCC(N(C)C)CC3)cc2F)CC1,XWDNJAWFGZOHCK-UHFFFAOYSA-N
-rxn:4:216053:223542,COC(=O)c1cc(Cl)nn2c(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cnc12,LXISXGAJFWVTHO-UHFFFAOYSA-N
-rxn:4:217193:223507,CN1CCN(c2ncccc2-c2ccccc2S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1,HGVZOGLBEROIPT-UHFFFAOYSA-N
-rxn:4:218560:222730,CCCc1cc(-c2cnn(CC3CN(C(=O)CCc4c(C)noc4C)C3)c2)cc(C2CCNCC2)n1,RWQITXYODKPZFE-UHFFFAOYSA-N
-rxn:4:218560:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1cnn(CC2CN(C(=O)CCc3c(C)noc3C)C2)c1,KXQJFAWXEBDOQR-UHFFFAOYSA-N
-rxn:4:218585:222889,N#Cc1ccc(CN2CCC(COc3ncc(-c4cc(F)cc(CN5CCNCC5)c4)cn3)CC2)c(F)c1,INRNVHBPONMXPH-UHFFFAOYSA-N
-rxn:4:218587:222630,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cn3)CC2)cc1,HPHBJCIUQWENIR-UHFFFAOYSA-N
-rxn:4:218606:224018,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cn2)C1,XNVUNBWBMNSHIV-UHFFFAOYSA-N
-rxn:4:218606:224396,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)c(C)c3)cn2)C1,VNDVLGHHHOCFNG-UHFFFAOYSA-N
-rxn:4:218606:224404,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)cn2)C1,RVXSFUQSLVDCKH-UHFFFAOYSA-N
-rxn:4:218606:225186,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(F)c(CN4CCSCC4)c3)cn2)C1,UYTAETZSKRRIBB-UHFFFAOYSA-N
-rxn:4:218606:225296,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cn2)C1,ZJAHWSURGSJKKT-UHFFFAOYSA-N
-rxn:4:218655:224355,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cn2)CC1,OFPWMUDFLJKVCM-UHFFFAOYSA-N
-rxn:4:218655:224763,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cc(Cl)ccc3C(=O)N3CCOCC3)cn2)CC1,IZJVGLLGSBWMQA-UHFFFAOYSA-N
-rxn:4:218655:225877,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,RTOCCFMEUKBMEI-UHFFFAOYSA-N
-rxn:4:218656:225265,CCCCOc1c(F)cc(F)c(-c2cnc(OCC3CCCN(C(=O)c4cn(C)c(=O)cc4OC)C3)nc2)c1F,FXVPBFYSNGCUGM-UHFFFAOYSA-N
-rxn:4:218699:222948,CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccc(-c4cnc(N5CCC(O)CC5)nc4Cl)c3)ccc2C#N)CC1,PWDKHWBBVGETGB-UHFFFAOYSA-N
-rxn:4:218711:226821,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(-c4cscn4)nc3F)CC2)CC1,FIPSSBZIIOCUTP-UHFFFAOYSA-N
-rxn:4:218711:226822,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4cccs4)nc3Cl)CC2)CC1,QRIBGVWITXEEIH-UHFFFAOYSA-N
-rxn:4:218778:224523,Cc1cc(Cn2c(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc3c(-c4cc(Cl)cc(OCc5ccccc5)c4)cc(Cl)cc32)cc(C)c1F,CCGFWDDMJVFDHG-UHFFFAOYSA-N
-rxn:4:218786:225882,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cnc(Cl)c(C6CCOCC6)c5)cccc4c3C2)CC1,NOSDHNVSOQJNPJ-UHFFFAOYSA-N
-rxn:4:218788:222615,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1cc(CC(C)C)cc(C2CCNCC2)c1,RTGPRLFERMAZBH-UHFFFAOYSA-N
-rxn:4:218813:225221,CC1CCCN(c2cc(-c3cnc(N4CC(CN(C)C(=O)C5CC5)C4)nc3)c(F)cn2)C1,ZLORPMWNPFPICB-UHFFFAOYSA-N
-rxn:4:218848:224684,O=C1CCN(C(=O)c2ccc(-c3cnc(OC4CCN(C(=O)c5cc(C6CC6)on5)C4)nc3)cc2)CC1,KHCYPKMLWAAVAQ-UHFFFAOYSA-N
-rxn:4:218867:226179,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cncc(C4CCCCC4)c3)c2)no1,JCRCZCHPSRXRHN-UHFFFAOYSA-N
-rxn:4:218867:226374,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cncnc3C3CCCCC3)c2)no1,JCOWMBIDJBDIJB-UHFFFAOYSA-N
-rxn:4:218868:223845,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)no1,RCRXHSOSFGPALA-UHFFFAOYSA-N
-rxn:4:218877:223996,CN1CCN(c2ccc(-c3cnc(OC4CCCN(C(=O)CN5CCOC5=O)C4)nc3)c(C(F)(F)F)c2)CC1,QRWOECODBAJMGK-UHFFFAOYSA-N
-rxn:4:218897:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5F)C4)nc3)c(Cl)c2)CC1,ALQGTRHPGVKICU-UHFFFAOYSA-N
-rxn:4:218917:226479,CCCCOc1nccc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1Cl,KBWZETWWRDIYBN-UHFFFAOYSA-N
-rxn:4:218921:224678,O=C(CCc1ccccc1-c1ccc(F)c(C(=O)N2CCCCC2)c1)N1CCN(c2ncc(F)cn2)C(=O)C1,BCIUDAHCOVQCFK-UHFFFAOYSA-N
-rxn:4:218944:228119,CC(C)Sc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cn1,LFYZLWZSUIRISG-UHFFFAOYSA-N
-rxn:4:218944:228347,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCC4)nc3)cc2[N+](=O)[O-])CC1,PPKAYWQQUKLAIW-UHFFFAOYSA-N
-rxn:4:218983:225899,COc1ccc(-c2cc(C)nn2C(=O)OC(C)(C)C)c(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1,AWYONHWKRGHFCV-UHFFFAOYSA-N
-rxn:4:218998:225200,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(F)c(OC4CCCC4)c3F)cn2)C1,BOKMFUMIRPWYJG-UHFFFAOYSA-N
-rxn:4:219012:224616,CN(c1ncc(-c2ccccc2OCCN2CCOCC2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,QIFGQGAZQSBYMW-UHFFFAOYSA-N
-rxn:4:219048:222452,O=C(Nc1cc(-c2ccc(S(=O)(=O)N3CCC(N(c4ccncn4)C4CC4)CC3)cc2)cc(F)c1F)OCc1ccccc1,ZVMIOQFPIAVGBQ-UHFFFAOYSA-N
-rxn:4:219067:225736,CCCOc1c(OC)ccc(-c2cccc(N3CC(C(=O)N4CCC(Cn5ccnc5)CC4)CC3=O)c2)c1F,IWCFBJSCHAKQPM-UHFFFAOYSA-N
-rxn:4:219078:228264,COc1cc(-c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c(Cl)cc1C,ZYDRYHHGKCQDQC-UHFFFAOYSA-N
-rxn:4:219125:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccccc2CCC(=O)N2C3CCC2CC(n2nccn2)C3)c1,XEKBVQXMBQRIBR-UHFFFAOYSA-N
-rxn:4:219127:222819,O=C(Nc1ccc(-c2ccccc2CCC(=O)N2C3CCC2CC(n2ccnn2)C3)cn1)N1CCOCC1,KMUVPPYZDPZLEM-UHFFFAOYSA-N
-rxn:4:219129:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(Cc5nc6c(s5)CCC6)C4)nc3)ccc2Cl)CC1,LWRANNGUHUFXAY-UHFFFAOYSA-N
-rxn:4:219175:224818,CN(C(=O)c1cc2nc(-c3ccc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cc3)cc(C(F)(F)F)n2n1)C1CCCCC1,GWNAHXIHINGKOK-UHFFFAOYSA-N
-rxn:4:219184:224255,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(F)cc(C(=O)N5CCCC(C)C5)c4)cc2)OC3)CC1,RSRHSGXVQWDTHM-UHFFFAOYSA-N
-rxn:4:219184:224750,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(Cl)c(C(=O)N5CCOCC5)c4)cc2)OC3)CC1,FHMJRIGLQGRLIA-UHFFFAOYSA-N
-rxn:4:219239:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CCC(Oc5cnsn5)C4)c3)c(F)c2)CC1,RGPRKNWNYLFKIX-FPCUACJBSA-N
-rxn:4:219372:224291,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2ccc(OCCN3CCOCC3)c(F)c2)CC1,FEUBJRDWSXNMIK-UHFFFAOYSA-N
-rxn:4:219378:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CC(=O)N4CCC(n5ccnn5)CC4)cc3)cc2)CC1,UOHWZGXJMJNEFL-UHFFFAOYSA-N
-rxn:4:219384:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2C1,LSSMEPLOVGQUAC-UHFFFAOYSA-N
-rxn:4:219388:224718,O=C(c1ccc(-c2ccc(OCCN3CCOCC3)nc2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,APLBJUREUSMTJH-UHFFFAOYSA-N
-rxn:4:219436:224670,CN1CCN(Cc2ccc(F)c(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C#N)c3)c2)CC1,WQOMXPXLBPQLEH-UHFFFAOYSA-N
-rxn:4:219436:228329,CCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)c(Cl)cn1,PCXSGBKODMYMJR-UHFFFAOYSA-N
-rxn:4:219441:223743,Cc1ccc(-c2ccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)cc2)cc1OCCCN1CCC(C)CC1,CQMUSWFYRPPOAC-UHFFFAOYSA-N
-rxn:4:219451:224317,CN1CCN(C(=O)c2ccc(-c3cn(C)nc3C(=O)N3CCCN(CC4CC4)CC3)c(F)c2)CC1,KWBORLZSNDXYSU-UHFFFAOYSA-N
-rxn:4:219475:224672,CCN1CCN(c2ccc(-c3cccnc3OC3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)c(Cl)c2)CC1,XNMRXLXDHQQMGQ-UHFFFAOYSA-N
-rxn:4:219489:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,AINREDWVWDLGQN-UHFFFAOYSA-N
-rxn:4:219516:225320,CN1CC(CN2CCC(Oc3ncc(-c4ccc(N5CCOCC5)c(F)c4F)cn3)CC2)CC1=O,CBSOZHUNFRRIDT-UHFFFAOYSA-N
-rxn:4:219529:222467,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(NC(=O)OC(C)(C)C)c2ccccc12,DSWYFQUGIZARNE-UHFFFAOYSA-N
-rxn:4:219540:223697,Cc1cc(N(C)C2CCN(C(=O)c3ccccc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)CC2)ncn1,FZSRENREUQIFAI-UHFFFAOYSA-N
-rxn:4:219542:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cccc(C(=O)N2CCCC(N(C)c3ncc(C)cn3)C2)c1,BEESRURVEMJLMX-UHFFFAOYSA-N
-rxn:4:219562:224968,Cc1ccc(OCC2CCCO2)c(-c2cncc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)c2)c1,XHHIXASKIPBUQQ-UHFFFAOYSA-N
-rxn:4:219626:223927,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)c5nonc45)CC3)o2)cc2cccnc21,STORLSWRKGWGCS-UHFFFAOYSA-N
-rxn:4:219627:227719,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3ccc(Cl)c(OC(F)F)c3)s1)C2,NOTKCYFUNBEEGB-UHFFFAOYSA-N
-rxn:4:219658:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(OC3CCCN(C(=O)c4cc5ccccn5c4)C3)nc2)CC1,WOHAOGZHGXLQMV-UHFFFAOYSA-N
-rxn:4:219692:224997,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(C(=O)N4CCCCC4)cc3)c3cnc(Cl)nc32)CC1,GFDHYWLPPKSPFK-UHFFFAOYSA-N
-rxn:4:219704:225977,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cc(Cl)cnc4N4CCOCC4)cc3n2)CC1,SWCSWZWBNFMTSH-UHFFFAOYSA-N
-rxn:4:219705:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(-c4nnc5sc(CN6CCCCC6CC)cn45)cc3)cc2)C1,FSLUUJDHFWUMSO-UHFFFAOYSA-N
-rxn:4:219706:222915,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc(C(=O)NC5=NCCS5)cc4)c(Cl)cc23)CC1,PTKALPLJQAWEAZ-UHFFFAOYSA-N
-rxn:4:219745:222584,COc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c1,JSRXTDSUOVRBRH-UHFFFAOYSA-N
-rxn:4:219759:225826,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cncc(N5CCN(C)CC5)c4)cc2)OC3)CC1,KUMFLHIYGJGAPM-UHFFFAOYSA-N
-rxn:4:219780:227721,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(Cl)cc(OC(F)F)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,FREBDZHOSVPDMN-UHFFFAOYSA-N
-rxn:4:219840:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(CCF)CC4)nc3)c3ccccc23)CC1,HHKULXYXUBTAMJ-UHFFFAOYSA-N
-rxn:4:219854:222511,CC(=O)N(C)C1CCN(c2ncc(-c3cc(C(=O)NC4CCCCC4)cc([N+](=O)[O-])c3)cn2)C1,VDOKWOQBIWCYNJ-UHFFFAOYSA-N
-rxn:4:219867:224796,CCN1CCN(c2ncc(-c3cncc(S(=O)(=O)OCC(C)(C)C)c3)cc2[N+](=O)[O-])CC1,QQUKKWMQJCICHM-UHFFFAOYSA-N
-rxn:4:219904:222582,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)CC1,HOPLXWQEBBGFQH-UHFFFAOYSA-N
-rxn:4:219937:222693,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)n3)C2)c1,WTZLPPSKDVVXJY-UHFFFAOYSA-N
-rxn:4:219940:223687,COc1cc(N2CCN(c3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cn3)CC2=O)ccn1,SWXHMHNXSZQOSL-UHFFFAOYSA-N
-rxn:4:219955:223974,CC1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)nc3)c(C(F)(F)F)c2)CC1,SCIUSJUSRFBXPB-UHFFFAOYSA-N
-rxn:4:219975:226715,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)cn1,SOQQCJALUVMSJQ-UHFFFAOYSA-N
-rxn:4:219991:226535,COC(=O)c1cc(OC)cc(-c2cncc(C(=O)N3CCC(N4CC(=O)N(C)C4=O)CC3)c2)c1,HSZWARGQOIWINY-UHFFFAOYSA-N
-rxn:4:219997:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3ccc(N4CCN(c5nccn(C6CC6)c5=O)CC4)cc3)cc2C1,LDAXNPPBUJXUCL-UHFFFAOYSA-N
-rxn:4:220039:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)cc1,HXHCSXRZNIPJLY-UHFFFAOYSA-N
-rxn:4:220090:223531,Cn1c(=O)c2c(ncn2CC(=O)c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2)n(C)c1=O,MGNMDSSUQXSQKJ-UHFFFAOYSA-N
-rxn:4:220129:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(N3CC4C(=O)N(Cc5ccccc5)C(=O)C4C3)nc2)CC1,ZJXIKSGDUMTBTI-UHFFFAOYSA-N
-rxn:4:220131:224818,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cnc1N1CC(N2CC3CCCC3C2)C1,WVNSKRHUEVCQPW-UHFFFAOYSA-N
-rxn:4:220149:224802,COC(OC)c1ccc(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)c(C(F)(F)F)c1,BVYWDQJQLXUXBH-UHFFFAOYSA-N
-rxn:4:220225:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc4ncnc(N5CCCC(C(=O)N6CCOCC6)C5)c4c3)c2)CC1,YTIUVPKDKSPCKL-UHFFFAOYSA-N
-rxn:4:220394:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cnc(N2CCN(C)CC2)c(C#N)c1,JOLLIXXTDGVFPE-UHFFFAOYSA-N
-rxn:4:220544:222439,Cc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5C(F)(F)F)c(C)c4)C3C2=O)cc1F,HNQMJZMAFUMQJF-UHFFFAOYSA-N
-rxn:4:220935:223531,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc2Cl)CC1,WMNVPWHQKAJCFN-UHFFFAOYSA-N
-rxn:4:221100:223076,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3cccc(S(=O)(=O)NC4CC4)c3)cn2)CC1,GUUOIEONNCWJPF-UHFFFAOYSA-N
-rxn:4:221103:223076,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)NC5CC5)c4)cn3)C2)cn1,VWGFZSZVNAJWGG-UHFFFAOYSA-N
-rxn:4:221103:225061,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4ccc(N5CCC(C)CC5)cc4F)cn3)C2)cn1,TYTHUBRGZWCVGN-UHFFFAOYSA-N
-rxn:4:221105:225232,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCC(C)CC5)c4)cn3)C2)nc1C,ISMGMJVWZLGCMO-UHFFFAOYSA-N
-rxn:4:221105:225296,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cn3)C2)nc1C,GAMPYVBSLSFXFZ-UHFFFAOYSA-N
-rxn:4:221105:225984,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)C2)nc1C,XCVYSXWSGIFARU-UHFFFAOYSA-N
-rxn:4:221116:229318,CCOc1ccc(-c2ccsc2Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,ZVRYECUBQUAQRW-UHFFFAOYSA-N
-rxn:4:221145:222822,Cc1cc(F)c(-c2ccccc2S(=O)(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1S(=O)(=O)NC1CC1,JYJPGBZAYZSZOY-UHFFFAOYSA-N
-rxn:4:221152:222634,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,FLFOECNEKDRHSX-UHFFFAOYSA-N
-rxn:4:221154:223897,Cc1ccc(-c2cnc(OCC3CCCN(c4cccnc4C#N)C3)nc2)cc1OCCCN1CCOCC1,ZQFKBLDSBHLROI-UHFFFAOYSA-N
-rxn:4:221184:224818,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cn3)C2)n1,PLZRBBSASCGUPT-UHFFFAOYSA-N
-rxn:4:221193:224587,CC1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)N5CCN(C)CC5)C4)nc3)cc2F)CC1,DOQHOPOYUISOBP-UHFFFAOYSA-N
-rxn:4:221202:222457,O=C(Nc1cccc(-c2ccccc2C(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)c1)c1cccc(C(F)(F)F)c1,AVLZOMXKDSBIEJ-UHFFFAOYSA-N
-rxn:4:221203:224253,CC1CCCCN1C(=O)c1cc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)ccc1F,SSKUTUMGAKQZOH-UHFFFAOYSA-N
-rxn:4:221214:224760,CCN(CC)C(=O)Cn1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2c1c(=O)n(C)c(=O)n2C,YUTSNEFQLAITGI-UHFFFAOYSA-N
-rxn:4:221230:222684,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCN5CCNCC5)c(Cl)c4)cn3)C1)CCC2,BHRVKRDEJKOOLO-UHFFFAOYSA-N
-rxn:4:221230:223975,CC(C)(C)OC(=O)n1cc(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)CCC5)C3)nc2)c2nc(Cl)ccc21,YQMPZIQIVPUPTR-UHFFFAOYSA-N
-rxn:4:221244:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3ccccc3CC(=O)N3CCC(c4nnc5ccc(C6CC6)nn45)CC3)c(F)cc(F)c2s1,BKOMQXHPXFQNFM-UHFFFAOYSA-N
-rxn:4:221267:225186,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(F)c(CN4CCSCC4)c3)cc2)n(C)c1=O,PNPNCXCHHLYRJJ-UHFFFAOYSA-N
-rxn:4:221272:225979,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(N4CCOCC4)c(Cl)c3)cc2)n(C)c1=O,PRWSRYHTLLVIBV-UHFFFAOYSA-N
-rxn:4:221351:222522,COc1ccc(-c2cnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,XGEPYRORKXLCEQ-UHFFFAOYSA-N
-rxn:4:221351:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)c3ccccc23)CC1,BNLPASGZIQYBPO-UHFFFAOYSA-N
-rxn:4:221369:224758,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(C(=O)N5CCOCC5)c(Cl)c4)cn3)C2)ccc1=O,WQCUPBQTMDKYAG-UHFFFAOYSA-N
-rxn:4:221391:224008,CSc1ncc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)c(N2CCC(N(C)c3ccccn3)CC2)n1,GCEGNZCNGLXBAW-UHFFFAOYSA-N
-rxn:4:221393:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCCN(S(=O)(=O)c5cnn(C)c5)CC4)c3)c2)CC1,VEHDXAWBLVOIDT-UHFFFAOYSA-N
-rxn:4:221401:223755,CC1CCN(CCCOc2ccc(-c3cccc(CN4CCN(c5nccc(N(C)C)n5)CC4)c3)cc2F)CC1,YRKRTHAGJKCAEF-UHFFFAOYSA-N
-rxn:4:221431:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccccc1C(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,GWWLMBFPXWFQEF-UHFFFAOYSA-N
-rxn:4:221432:225048,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(N5CCN(C)CC5)cc4C)c3)CC2)n1,NKEUZCNBDCCBMW-UHFFFAOYSA-N
-rxn:4:221434:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)c1,SESFDZXUJBQNRN-UHFFFAOYSA-N
-rxn:4:221436:222829,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)c(C(F)(F)F)c1,KZBJAXCSUWMNMV-UHFFFAOYSA-N
-rxn:4:221437:222552,O=C(NCc1ccccc1)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)o2)cc1F,GRYHVWNTWGINCJ-UHFFFAOYSA-N
-rxn:4:221449:223058,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)nc(C5CCCNC5)c4)cc3)CC2)n1,WHMXYUANRUCLHL-UHFFFAOYSA-N
-rxn:4:221522:223532,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5cc(F)cc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)cnc2c1,KLPLFXCNMHKFQS-UHFFFAOYSA-N
-rxn:4:221609:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3cnc(OC4CCN(c5ncc(Cl)cn5)CC4)nc3)ccc2F)CC1,FQZGLKHZDSMIPG-UHFFFAOYSA-N
-rxn:4:221618:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cnc(N4CCN(c5ccnc(C(F)(F)F)c5)C(=O)C4)nc3)cc2C1,KJNPZUMCAWFHKG-UHFFFAOYSA-N
-rxn:4:221628:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(c5nnc(C6CC6)o5)CC4)nc3)c3ccccc23)CC1,ANDOLWCZUFSFQS-UHFFFAOYSA-N
-rxn:4:221642:228463,O=C1CN(C2CCN(c3ncc(-c4ccc(OC(F)F)nc4)cn3)CC2)C(=O)N1C1CC1,IFYGLPDVWBFMNP-UHFFFAOYSA-N
-rxn:4:221702:224400,Cn1c(=O)c2c(nc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)n2CCN2CCOCC2)n(C)c1=O,HLCWRQIOMWPFTJ-UHFFFAOYSA-N
-rxn:4:221726:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,GCNMXLCQOHEMLL-UHFFFAOYSA-N
-rxn:4:221731:224950,COc1ccc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)c(CN2CCCC2)c1,DQOUNXAXRZTAAF-UHFFFAOYSA-N
-rxn:4:221736:222809,Cc1nc2c(c(N3CC4CN(C(=O)c5cncc(-c6cc(Cl)ncc6NC(=O)OC(C)(C)C)c5)CC4C3)n1)CCC2,FAYHHHCIWRQDNM-UHFFFAOYSA-N
-rxn:4:221758:223815,Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)cc1,ZBZPETRVDURJCE-UHFFFAOYSA-N
-rxn:4:221760:222520,Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c2)cc1,HGLFCWSSVQATCQ-UHFFFAOYSA-N
-rxn:4:221787:223888,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CCC5)cc3)c(=O)n2C)c1,OEBWLAIAXGTJJN-UHFFFAOYSA-N
-rxn:4:221913:224395,Cn1nnnc1SCC(=O)N1CCC(Oc2ncccc2-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)CC1,CEBBMARSDMYVNS-UHFFFAOYSA-N
-rxn:4:221919:224759,CCOc1ccc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1,ZISPTKLQFSUUTQ-UHFFFAOYSA-N
-rxn:4:221947:222632,O=C(NCCN1CCCC1)c1cccc(-c2ccc(C(=O)N3CCN(Cc4nnnn4-c4ccc(F)cc4)CC3)o2)c1,YDXQKAKVHYMHKQ-UHFFFAOYSA-N
-rxn:4:221965:223486,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5c(C)cc(N(Cc6ccccc6)Cc6ccccc6)cc5C)cc4)CC3)nn2)CC1,AGSMDOBUCIDIHM-UHFFFAOYSA-N
-rxn:4:221980:222948,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cnc(N6CCC(O)CC6)nc5Cl)c4)sc3n2)CC1,HLWXSLKRVAXOLU-UHFFFAOYSA-N
-rxn:4:221985:225319,Cn1cc(-c2nc3cnc(-c4cc(F)c(F)c(N5CCOCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,SZYUFQZHNDKUAW-OAQYLSRUSA-N
-rxn:4:221985:225984,Cn1cc(-c2nc3cnc(-c4cnc(Cl)c(N5CCOCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,FJDCYIJRTRMQKO-OAQYLSRUSA-N
-rxn:4:222041:223845,Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)o4)CC3)nn2)n1,OKNOVHFBSMIKGH-UHFFFAOYSA-N
-rxn:4:222044:224290,Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(Cl)cc5OCCN5CCOCC5)cc4)CC3)nn2)n1,PXQPODJSGNRCEF-UHFFFAOYSA-N
-rxn:4:222046:224759,CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,UBMOOUNEGINJIE-UHFFFAOYSA-N
-rxn:4:222054:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCN(c5ccc(N6CCN(C)CC6)nn5)CC4)o3)c(F)c2)CC1,MBOHXILVIDCJRZ-UHFFFAOYSA-N
-rxn:4:222056:222714,CC(C)(C)OC(=O)Nc1cc(F)c(F)c(-c2cnc(N3CCN(c4cc(C(C)(C)C)nc(C5CC5)n4)CC3)nc2)c1,SPFFCBJYKBXCCF-UHFFFAOYSA-N
-rxn:4:222062:223140,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,SOVWGIMRRLAWIH-UHFFFAOYSA-N
-rxn:4:222062:223142,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5CCCNC5)nc4)cc3)CC2)n1,XISDRVKHGBIZFM-UHFFFAOYSA-N
-rxn:4:222062:227227,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC5CC5)nc4)cc3)CC2)n1,NXOXNZLTXUECKK-UHFFFAOYSA-N
-rxn:4:222089:222545,CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1,CVULXEBITRCIHO-UHFFFAOYSA-N
-rxn:4:222102:224485,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccn([Si](C(C)C)(C(C)C)C(C)C)c6)cc5)no4)C3C2=O)cc1,HTHSDRQYEBDLFM-UHFFFAOYSA-N
-rxn:4:222108:223052,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cccc(C(=O)NC(C)C)c6F)cc5)no4)C3C2=O)cc1F,YJLFWFMRYBPUTA-UHFFFAOYSA-N
-rxn:4:222142:225186,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)c(CN3CCSCC3)c2)cc1,KMLMNHNHZBHJEY-UHFFFAOYSA-N
-rxn:4:222161:224323,Cc1cc(-c2cnc(N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCCC1,RDWSEKJRORDAJD-UHFFFAOYSA-N
-rxn:4:222161:224818,Cn1nc(C2CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cn3)CC2)n(C2CC2)c1=O,FTMDQBSZALIHSI-UHFFFAOYSA-N
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-rxn:4:222331:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)nc1,VYISPTFUGAFJNY-UHFFFAOYSA-N
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-rxn:5:177891:227021:227626,N#CC1(c2ccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3cnc(C4CCOC4)nc3)cc2)CC1,CARKFZYTRYJUEG-UHFFFAOYSA-N
-rxn:5:177891:227437:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCCO3)c2)s1)N1CCOCC1,XYGFJMGTXZFPIB-UHFFFAOYSA-N
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-rxn:5:178120:225634:227507,Cc1cc(-c2cccc(OCC3CCOCC3)c2-c2cccc(C=C[N+](=O)[O-])c2)cnc1N1CCCCC1,KXSNBXPFVPLDNL-UHFFFAOYSA-N
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-rxn:5:179418:225587:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2cccc(CN3CCOCC3)c2)s1)N1CCOCC1,YFQLDBUREWCMRM-UHFFFAOYSA-N
-rxn:5:179418:225657:225805,Cc1cc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(C(C)N3CCOCC3)s2)ccc1N1CCOCC1,UJEQZGGWIRRYOI-UHFFFAOYSA-N
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-rxn:5:180022:223173:225799,COc1c(-c2cncc(OC3CCOCC3)c2)ccc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1C1OCCO1,OKYMYFSDUCIQMJ-UHFFFAOYSA-N
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-rxn:5:180022:223294:225926,COc1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc(-c2csc(N3CCNCC3)n2)c1C1OCCO1,UWQFELYGXUPTCB-UHFFFAOYSA-N
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-rxn:5:180402:222957:223145,Cc1cc(-c2ccc(C(=O)C3CCCCC3)c(-c3ccc(C4CCC(=O)N4)cc3)c2)cc(C2CCCNC2)c1,VBOMZRSUOMCDDI-UHFFFAOYSA-N
-rxn:5:180402:225805:227299,CC(c1ccc(-c2ccc(C(=O)C3CCCCC3)c(-c3cc(F)cc(CN(C)C)c3)c2)s1)N1CCOCC1,QDCHRHKCWCNDMF-UHFFFAOYSA-N
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-rxn:5:180662:222980:223202,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(CN4CCNCC4)cc3)c2OC1,MJOUESAJCNXGTA-UHFFFAOYSA-N
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-rxn:5:180662:223063:223295,COC(=O)C1=Cc2cc(-c3cncc(NS(C)(=O)=O)c3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,LUADZSVABLHGOJ-UHFFFAOYSA-N
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-rxn:5:180662:227505:223064,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2OC1,NBMDOXAFENLLPC-JLHYYAGUSA-N
-rxn:5:180662:227710:226654,COC(=O)C1=Cc2cc(-c3csc(N4CCC(C)CC4)n3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,MNTAQEYAJCWSLX-UHFFFAOYSA-N
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-rxn:5:181905:223056:225986,Cc1ccc(-c2ccccc2N2CCCS2(=O)=O)c(C2OCCO2)c1-c1ccc(N2CCC(O)CC2)nc1,PWKACZTWIOCHKR-UHFFFAOYSA-N
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-rxn:5:181906:222985:225438,Cc1ccc(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1-c1ccc(C(C)N2CCCC2)cc1,XKHSKFHOPLUUOH-UHFFFAOYSA-N
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-rxn:5:181906:225466:226686,Cc1ccc(-c2ccc(N3CCCCC3C)cc2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,RKNGBWJZNDIKMB-UHFFFAOYSA-N
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-rxn:5:181907:225436:226686,Cc1cc(-c2ccc(CN3CCCCC3)cc2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,WORCKWWGXNDICX-UHFFFAOYSA-N
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-rxn:5:181907:226686:225587,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cccc(CN3CCOCC3)c2)c(C2OCCO2)c1,BQPTWJRDBZUXER-UHFFFAOYSA-N
-rxn:5:181908:222960:226652,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2cc(C)nn2C2CCCCO2)cc(C2CCNCC2)c1,PXWJASWSWPRHQK-UHFFFAOYSA-N
-rxn:5:181908:225805:225987,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(N3CCCS3(=O)=O)cc2)cc1C1OCCO1,IQZDHVQJQJPKEZ-UHFFFAOYSA-N
-rxn:5:181908:225987:225805,Cc1cc(-c2ccc(N3CCCS3(=O)=O)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)cc1C1OCCO1,QYACXIPHVRZPKD-UHFFFAOYSA-N
-rxn:5:182009:225632:225639,CC1CCN(c2ncccc2-c2ccc(-c3cccc(N4CCN(C)CC4)c3)c(C3CCOCC3)c2)CC1,DRVDRCHYLYZFSJ-UHFFFAOYSA-N
-rxn:5:182013:226429:226032,COc1cc(-c2ccc(-c3ccc(N4CCCC(C)C4)s3)cc2C2CCOCC2)c(F)c(C(F)(F)F)c1,ZDVKCDRPAPHWLW-UHFFFAOYSA-N
-rxn:5:183066:225943:225592,O=C1CCCc2c1ccc(-c1ccc(C(=O)N3CCOCC3)s1)c2-c1cc(F)ccc1CN1CCCC1,CCUYHJOVDROKCV-UHFFFAOYSA-N
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-rxn:5:188932:225794:223281,COC(=O)c1cc(-c2ccc(C3(O)COC3)nc2)c(S(N)(=O)=O)c(-c2cnc(OC3CCCCC3)nc2)c1,CKXLUVUQECUCOJ-UHFFFAOYSA-N
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-rxn:5:189082:225601:225812,Cc1cc(-c2ccc(CC(=O)N(C)C)cc2-c2ccc(C3(C#N)CCC3)cc2F)c(F)c(OC(C)C)c1F,BKHGMQWYTUOUDZ-UHFFFAOYSA-N
-rxn:5:189083:225980:226662,CCN(C)C(=O)c1cccc(-c2cc(N3CCOCC3)ncc2F)c1-c1ccc(N2CCN(C)CC2)s1,ZMUJGEQXEAOMTB-UHFFFAOYSA-N
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-rxn:5:189212:225439:225623,CC(c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cccc(OC3CCOCC3)c2)c1)N1CCCC1,LKRGDTIJHYDDRM-UHFFFAOYSA-N
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-rxn:5:189664:225577:227052,CC(C)(C)Sc1ccc(-c2cc(-c3ccc(N4CCCC4)cc3C#N)ccc2CC(=O)N2CCCC2)cc1,JQIDXOCOCZXTQF-UHFFFAOYSA-N
-rxn:5:189665:226898:226572,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cnc(OCC2CCOCC2)c(-c2cnc(OC3CCCC3)nc2)c1,ZOZRITZRULUWOF-UHFFFAOYSA-N
-rxn:5:189666:225507:227077,CCC(C)c1ccc(-c2ccc(/C=N/[S@](=O)C(C)(C)C)cc2-c2ccc3c(c2)CCC3C(=O)OC)c(F)c1,LBJRCSPYXNDKCM-IEFISKGLSA-N
-rxn:5:189669:226918:225499,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3=CCCC3)cc2)c(-c2ccc(C3CCCCC3)cc2F)c1,CLUKGCLWHYSMQT-GOJREDGKSA-N
-rxn:5:189671:225590:227055,COc1ccc(-c2cccc(-c3ccc(CN4CCCC4)c(F)c3)c2/C=N/S(=O)C(C)(C)C)cc1C1CC1,LTOIOPUQRQRHHP-QXUDOOCXSA-N
-rxn:5:189673:225395:226969,CC(C)(C)c1cc(-c2ccc(/C=N/S(=O)C(C)(C)C)c(-c3ccc4c(c3)CCCC4=O)c2)cc(C2CC2)c1,GHFVEVCQFFCSSC-XICOUIIWSA-N
-rxn:5:189675:227092:225465,Cc1nc(C2CCC2)ccc1-c1ccc(-c2cccc(C3CCN(C)CC3)c2)cc1/C=N/S(=O)C(C)(C)C,FAMAHAQCKDEUDW-PPOKSSTKSA-N
-rxn:5:189676:226881:226212,CON=C1CCc2cc(-c3ccc(CC(=O)N4CCCC4)cc3-c3c(F)c(F)c(OC)c(F)c3F)ccc21,AMFUDONZEAJKSG-UHFFFAOYSA-N
-rxn:5:189718:227289:225620,CC(C)(C)Oc1ncccc1-c1cc(OC2CCOCC2)c([N+](=O)[O-])cc1-c1ccc(OC2CCOCC2)cc1,GFEHHDJYXRKOFE-UHFFFAOYSA-N
-rxn:5:189910:226794:223065,Fc1cc(N2CCNCC2)ccc1-c1ccc(-c2cnc(N3CCSCC3)nc2)cc1CCN1CCOCC1,DCDAHWBCVMXQGO-UHFFFAOYSA-N
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-rxn:5:190000:226374:226588,O=C(Cc1ccc(-c2cc(OC3CCC3)ncc2F)cc1-c1cncnc1C1CCCCC1)N1CCCCC1,KTIPXRIVTWBOFQ-UHFFFAOYSA-N
-rxn:5:190001:225499:225671,O=C(Cc1ccc(-c2cc(C3CCCCC3)ncc2F)c(-c2ccc(C3CCCCC3)cc2F)c1)N1CCCCC1,FUIKMRUBBDNKQT-UHFFFAOYSA-N
-rxn:5:190001:228677:225833,CC(C)Cn1cc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccnc(N3CCCCC3)c2F)cn1,YPIIBURVTIAGLI-UHFFFAOYSA-N
-rxn:5:190127:225637:223440,COC1CCN(C(=O)c2cc(-c3ccccc3N3CCN(C)CC3)ccc2-c2ccc(C3CC3)[nH]2)CC1,OIAYWWDPGUKISN-UHFFFAOYSA-N
-rxn:5:190194:225886:225440,COC1CCN(Cc2cccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2-c2ccc(C3(C#N)CCCC3)cc2)CC1,YCYFECZZLBKWSB-UHFFFAOYSA-N
-rxn:5:190194:227710:223064,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2ccc(C3CCNCC3)nc2F)CC1,VQIXEKNHFWBBAZ-UHFFFAOYSA-N
-rxn:5:190194:227710:225798,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2ccc(OC3CCOCC3)nc2)CC1,LIAVJJJINKMFMC-UHFFFAOYSA-N
-rxn:5:190195:228695:222996,CN(C)Cc1cc(-c2ccc(CN(C)C3CCOCC3)cc2-c2ccc(F)cc2C2CCCNC2)cs1,BFEIFOOIECKFAW-UHFFFAOYSA-N
-rxn:5:190196:225819:223231,CNC(=O)c1ccc(-c2cc(-c3cc(C(F)(F)F)ccc3C3CC3)ccc2CN(C)C2CCOCC2)cc1C,RCJGIXYPUGBAJU-UHFFFAOYSA-N
-rxn:5:190196:226197:227024,CC(c1cccc(-c2cc(-c3ccc(C4CCCOC4)cc3)ccc2CN(C)C2CCOCC2)c1)N(C)C,WZTCHEBMZUUZTB-UHFFFAOYSA-N
-rxn:5:190198:226597:222993,CC(C)Oc1c(F)cc(-c2cccc(-c3cccc(N4CCCCC4O)c3)c2CN(C)C2CCOCC2)cc1F,OJICEQTYBTVCDF-UHFFFAOYSA-N
-rxn:5:190199:223062:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1cnc(C2CCNCC2)cc1F)C1CCOCC1,JNGYMMOASMKHFK-UHFFFAOYSA-N
-rxn:5:190199:223113:226571,CN(Cc1cc(-c2cnn(CC3CCOCC3)c2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,RWSJOCNNUSMLHK-UHFFFAOYSA-N
-rxn:5:190199:223113:226645,CN(Cc1cc(-c2ccnc(N3CCOCC3)c2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,KKZKXIHBNNJRGR-UHFFFAOYSA-N
-rxn:5:190199:228363:222956,Cc1ccc(-c2ccc(-c3cnc(N(C)C)cc3F)c(CN(C)C3CCOCC3)c2)c(C2CCCNC2)c1,ULCYCSWWWOXAAR-UHFFFAOYSA-N
-rxn:5:190231:226137:228443,COc1c(-c2cc(C3CC3)cnc2C(C)C)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(F)c(SC)c1F,YAJGEQSUKQMPMN-UHFFFAOYSA-N
-rxn:5:190231:227376:223061,COc1c(-c2cncc(N3CCCC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(C2CCNCC2)ncc1F,HLJQXELTEZAMPR-UHFFFAOYSA-N
-rxn:5:190308:225620:226331,CC1CCCN(CCc2cc(-c3ccc(OC4CCOCC4)cc3)ccc2-c2ccc(C3(C#N)CC3)cc2F)C1,KXIPLPPQYWRDJO-UHFFFAOYSA-N
-rxn:5:190308:226038:223008,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(-c2cc(C3CCNCC3)ccc2F)c(CCN2CCCC(C)C2)c1,QUISXUPMBHRHRF-UHFFFAOYSA-N
-rxn:5:190335:225451:227297,COc1c(-c2ccc(SC3CCCCC3)cc2)cc(C(=O)N2CCCCC2C)cc1-c1cc(CN(C)C)ccc1F,OVURGQBJBKRDKN-UHFFFAOYSA-N
-rxn:5:190335:225677:227341,COc1c(-c2ccc(C3CCCCC3)nc2F)cc(C(=O)N2CCCCC2C)cc1-c1cccc(OC(C)C)c1F,CZOCZSKVRUWJFT-UHFFFAOYSA-N
-rxn:5:190335:226037:227079,COc1c(-c2cc(CC(C)C)ccc2F)cc(C(=O)N2CCCCC2C)cc1-c1ccc(C(F)(F)F)c(OC)c1F,SGEDMQRKSZEQRI-UHFFFAOYSA-N
-rxn:5:190336:226413:227893,COc1c(-c2cccc(CN(C)C)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1cccc(N2CCOCC2)c1,ZSTLTKMTUFPUPH-UHFFFAOYSA-N
-rxn:5:190336:228997:225594,CCc1ccc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3ccc(F)cc3CN3CCCC3)c2OC)cn1,VEQGHAOVZBECMX-UHFFFAOYSA-N
-rxn:5:190337:228177:227045,COCc1ccc(F)cc1-c1cc(C(=O)N2CCC(C)CC2)cc(-c2cccc(SC(C)(C)C)c2)c1OC,VQRZLZDAZXXJCM-UHFFFAOYSA-N
-rxn:5:190459:225684:226973,Cc1nc(C2CCOCC2)ccc1-c1ccccc1C(=O)N1CCSC(c2ccccc2-c2ccc3c(c2)C(C)(C)CO3)CC1,ICPHYIMGVUFDJM-UHFFFAOYSA-N
-rxn:5:190484:223138:223146,O=C(c1cccc(-c2ccnc(C3CCNCC3)c2)c1)N1CCC(c2ccccc2-c2cccc(C3CNCCO3)c2)S(=O)(=O)CC1,MDXOPQXMGINDQO-UHFFFAOYSA-N
-rxn:5:190484:223146:223242,O=C(c1cccc(-c2cccc(C3CNCCO3)c2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCNC3)c2)S(=O)(=O)CC1,IMGGDWKHEBRFEX-UHFFFAOYSA-N
-rxn:5:190484:223294:228965,O=C(c1cccc(-c2csc(N3CCNCC3)n2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])nc2)S(=O)(=O)CC1,HICNBDZUNYULAM-UHFFFAOYSA-N
-rxn:5:190484:226059:228218,CC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CC5)ncc4F)S(=O)(=O)CC3)c2)c(C(C)C)c1,HOBGGROCDPNUMR-UHFFFAOYSA-N
-rxn:5:190484:227029:227861,CC(C)(C#N)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cnc4c(c3)CCCC4)S(=O)(=O)CC2)c1,AABKHGDWLYBYJR-UHFFFAOYSA-N
-rxn:5:190484:227668:227750,COc1c(F)cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cccc(F)c4C(F)(F)F)S(=O)(=O)CC3)c2)c(C)c1F,LFLBXLUNYMCJRP-UHFFFAOYSA-N
-rxn:5:190484:227898:227102,CC(C)Cc1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ccc4F)S(=O)(=O)CC3)c2)c1,QSISBEMTYASOID-UHFFFAOYSA-N
-rxn:5:190484:227910:227313,CCC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)CC)ncc4F)S(=O)(=O)CC3)c2)cn1,RUIQKZJWAFVSPM-UHFFFAOYSA-N
-rxn:5:190484:227971:227673,CC(C)(C)c1ccncc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cccc(C(C)(F)F)c3F)S(=O)(=O)CC2)c1,RQUOSKQDIVDCRA-UHFFFAOYSA-N
-rxn:5:190484:228195:228447,Cc1nn(C(C)(C)C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cccc(C(F)F)c3F)S(=O)(=O)CC2)c1,HEDWTMXMHFKXTR-UHFFFAOYSA-N
-rxn:5:190681:227611:225806,CC(=O)Oc1cn(C(C)=O)c2cc(-c3cnc(OC4CCCC4)cc3F)c(-c3ccnn3C3CCCCO3)cc12,FNYWUJZUCVVZNQ-UHFFFAOYSA-N
-rxn:5:190740:225834:222980,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCCCC4)ncc3F)cc2c1-c1ccc(CN2CCNCC2)cc1,RNADVQRSPUGKNV-UHFFFAOYSA-N
-rxn:5:190740:225849:225833,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccnc(N2CCCCC2)c1F,XGDANZFMLVYNOG-UHFFFAOYSA-N
-rxn:5:190740:225976:225784,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCOCC4)c3F)cc2c1-c1ccc(CN2CCOCC2)nc1,SWBGQAZPJFKNMS-UHFFFAOYSA-N
-rxn:5:190741:225976:225849,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,JNTCMNSDXPPXPT-UHFFFAOYSA-N
-rxn:5:190741:225976:225982,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cnc(N2CCOCC2)cc1F,KFCYQHOLGGWFEN-UHFFFAOYSA-N
-rxn:5:190741:225980:225633,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1ccc(N2CCCCCC2)nc1,IZWZGGCHZZPRPG-UHFFFAOYSA-N
-rxn:5:190742:225592:225831,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)ccc3CN3CCCC3)c2c1-c1cnc(N2CCOCC2)c(C)c1,HLKNRGDKFJQSEC-UHFFFAOYSA-N
-rxn:5:190742:225639:222994,CCOC(=O)c1cnc2c(C)ccc(-c3cccnc3N3CCC(C)CC3)c2c1-c1cccc(N2CCC(O)CC2)c1,GBQGGRHZKHVFDW-UHFFFAOYSA-N
-rxn:5:190742:225831:225593,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)c(C)c3)c2c1-c1cc(F)cc(CN2CCCC2)c1,VGLDQPNZYHMVDN-UHFFFAOYSA-N
-rxn:5:190742:225831:225868,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)c(C)c3)c2c1-c1ccc(N2CCOCC2)c(F)c1,MXHVNVXIKAMNNB-UHFFFAOYSA-N
-rxn:5:190742:225831:225870,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)c(C)c3)c2c1-c1cc(F)cc(N2CCOCC2)c1,IFFZJJMEYFTJHC-UHFFFAOYSA-N
-rxn:5:190742:225831:225874,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)c(C)c3)c2c1-c1ccc(F)c(N2CCOCC2)c1,OWRJRFWRYMIIHU-UHFFFAOYSA-N
-rxn:5:190742:225870:225831,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)cc(N4CCOCC4)c3)c2c1-c1cnc(N2CCOCC2)c(C)c1,YDPZBRWDVXQFHT-UHFFFAOYSA-N
-rxn:5:190742:225874:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(F)c(N4CCOCC4)c3)c2c1-c1ccc(CN2CCOCC2)nc1,RQMGHHVDZICVMB-UHFFFAOYSA-N
-rxn:5:190742:226571:223006,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1ccc(F)c(C2CCNCC2)c1,WECHJUUCKOUAQX-UHFFFAOYSA-N
-rxn:5:190742:226571:225598,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1cccc(CN2CCSCC2)c1,VZPAYXGIUILRSM-UHFFFAOYSA-N
-rxn:5:190742:226583:225593,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1cc(F)cc(CN2CCCC2)c1,FDYNLHGTNPWQBE-UHFFFAOYSA-N
-rxn:5:190742:226583:225666,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1cc(F)cc(N2CCCCC2)c1,JNNJALXYUJMTGW-UHFFFAOYSA-N
-rxn:5:190742:226583:225870,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1cc(F)cc(N2CCOCC2)c1,LHWHPHBKVILIMH-UHFFFAOYSA-N
-rxn:5:190742:226583:225874,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(F)c(N2CCOCC2)c1,RWGGUYKYRWEUGM-UHFFFAOYSA-N
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-rxn:5:197876:225834:227900,CC(C#N)c1ccccc1-c1cc2c(cc1-c1cc(N3CCCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,RWJSSUPGXCDBRV-UHFFFAOYSA-N
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-rxn:5:197876:226068:228417,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(F)c(C(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,IFFMBMBMCQRICQ-UHFFFAOYSA-N
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-rxn:5:197876:226589:228261,CSc1ccc(F)c(C)c1-c1cc2c(cc1-c1cc(C(F)F)ncc1C(C)C)S(=O)(=O)N(C(C)(C)C)C2=O,QKILIRFJOYIRFM-UHFFFAOYSA-N
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-rxn:5:198559:226427:225832,Cc1nn(C2CCCCO2)c(C)c1C1=NS(=O)(=O)c2ccc(-c3cc(N4CCC(C)CC4)cs3)cc21,UKEXLBWZNSVSLI-UHFFFAOYSA-N
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-rxn:4:173510:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc(OCC2CC2)cc1C(=O)OC(C)(C)C,ZNBKVPIUWRQUHR-UHFFFAOYSA-N
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-rxn:4:174044:223559,CCOC(=O)C(C)C(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1,CVAKXUZSWFNIPL-UHFFFAOYSA-N
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-rxn:4:174407:224486,COC(=O)C1(c2cccc(-c3cccc(C(=O)N(C(C)C)C(C)C)c3)c2)CC(OC)(OC)C1,KREUSFCIKKXNCK-UHFFFAOYSA-N
-rxn:4:174428:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1,ZJCIHIDZJHHKFY-UHFFFAOYSA-N
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-rxn:4:174522:222884,CC(C)[Si](C#Cc1ccc(-c2cc(F)cc(C(=O)NC(C)(C)C)c2)cc1)(C(C)C)C(C)C,BAKUUYMCRXASRW-UHFFFAOYSA-N
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-rxn:4:174602:225117,CCC(=O)Oc1ccc2c(c1)OC(=Cc1cc(-c3cc(OCCC(C)C)c(F)cc3F)ccc1OC)C2=O,COBRLUVJLOTSOD-UHFFFAOYSA-N
-rxn:4:174655:225128,CCCCCOc1cc2c(cc1-c1cc(C3(C(=O)OC)CC3)ccc1F)C(C)(C)CCC2(C)C,ZOHQQTPRPJDPRQ-UHFFFAOYSA-N
-rxn:4:174656:225110,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(OC(=O)OC(C)(C)C)cc3)c12)(C(C)C)C(C)C,BFFQAPNUYFLKAK-UHFFFAOYSA-N
-rxn:4:174740:223697,O=S(=O)(c1ccc(-c2cccc(OCC(F)(F)C(F)(F)F)c2)c(C(F)(F)F)c1)N1CCCCC1,YGFOZGNIOMJBRO-UHFFFAOYSA-N
-rxn:4:174805:223597,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1OCC(F)F,GTNWHMCUUHECED-UHFFFAOYSA-N
-rxn:4:175263:223569,COC(=O)c1cc(OC2COC2)cc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)c1,DPUTTXHWMSFYLC-UHFFFAOYSA-N
-rxn:4:175295:223492,Cc1cc(-c2cc(F)ccc2OCCC(C)C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,NTONWBATGLKIMF-UHFFFAOYSA-N
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-rxn:4:175377:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(C(C)(OS(C)(=O)=O)C(F)(F)F)cc1,NGFRIPOSTCHABU-UHFFFAOYSA-N
-rxn:4:175428:222514,COc1ccc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)cc1S(=O)(=O)NC1CCCCC1,DWIHAQBBMMQKPT-UHFFFAOYSA-N
-rxn:4:175596:224496,CCN1CCN(Cc2cccc(-c3cc(C(=O)OC(C)(C)C)cc(C(F)(F)F)c3)c2)CC1,FIWDMPIANCTRCO-UHFFFAOYSA-N
-rxn:4:175715:222582,O=C(NCCN1CCOCC1)c1cccc(-c2cccc(OCCC3OCCCO3)c2)c1,UUGGXFGHBBFWTC-UHFFFAOYSA-N
-rxn:4:175862:223809,CC[Si](CC)(CC)c1c(F)ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)c1F,FRNSIHSSFKMMEQ-UHFFFAOYSA-N
-rxn:4:175985:224616,COC(=O)c1ccc(-c2ccccc2OCCN2CCOCC2)cc1OC1CCCCC1,BIQPWYNNSHOQHB-UHFFFAOYSA-N
-rxn:4:176095:224337,CC(C)(C)[Si](C)(C)OCc1cccc(-c2cnc(C(F)(F)F)c(C3CCCCC3)c2)c1F,RAERLDYNEFYUGW-UHFFFAOYSA-N
-rxn:4:176130:224488,CC(C)N(C(=O)c1ccc(-c2ccc(C3(O[Si](C)(C)C(C)(C)C)CC3)o2)cc1)C(C)C,URIWGLXIEFSGOP-UHFFFAOYSA-N
-rxn:4:176308:223045,CC(C)NC(=O)c1ccc(F)c(-c2ccccc2C=C2Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)c1,JIICJRFQBBJJLA-UHFFFAOYSA-N
-rxn:4:176322:224566,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(C3(C(=O)OC)CCCC3)cc2)C(C)(C)CC1(CC)CC,NFDYZERCRXWHEA-UHFFFAOYSA-N
-rxn:4:176324:222880,CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2-c2cc(Cl)ccc2NC(=O)C(C)(C)C)cc1,YXIZHECHONIZHR-UHFFFAOYSA-N
-rxn:4:176370:223591,CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(-c3cc(Cl)cc(OCC(F)F)c3)c2)CC1,DTNDNMDVXHLMHF-UHFFFAOYSA-N
-rxn:4:176617:223559,COC(=O)Cc1c(F)ccc(F)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,QEDVXYPVLRAAEA-UHFFFAOYSA-N
-rxn:4:176713:223834,COc1ccc(F)c(C(=O)C(F)(F)F)c1-c1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,CTPCPJXOZKEKMX-UHFFFAOYSA-N
-rxn:4:176876:223540,COC(=O)c1cc(-c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2OC)c(F)cc1OC,ZMJDAKBZEISTEO-UHFFFAOYSA-N
-rxn:4:177218:223505,CCc1c(C(=O)OC)ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1F,IYCGYENVZOVNLE-UHFFFAOYSA-N
-rxn:4:177756:223576,CC(C)(C)OC(=O)c1cc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)cc1F,BIRCHPDLPOWQOP-UHFFFAOYSA-N
-rxn:4:178103:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2ccc(COC3CCOCC3)cc2)c1,LUMZWSKSMACIAV-UHFFFAOYSA-N
-rxn:4:178125:223831,COc1ccc(-c2ccc(C)c(F)c2C(=O)OC(C)(C)C)cc1S(=O)(=O)N1CCC(C)CC1,HEAYMDRWXYSYLD-UHFFFAOYSA-N
-rxn:4:178176:223996,CN1CCN(c2ccc(-c3ccccc3OC(=O)C3CCCCC3)c(C(F)(F)F)c2)CC1,OPCCBXINZYKSMM-UHFFFAOYSA-N
-rxn:4:178327:222635,COC(=O)C1(c2ccc(-c3cccc([C@H](C)NC(=O)OC(C)(C)C)c3)cc2)CCCCC1,KFGVNUJOPTYGNU-IBGZPJMESA-N
-rxn:4:178372:224845,CC(C)(C)c1cc(-c2ccc(CC3CC(C(C)(C)C)CCC3=O)cc2)cc(C(C)(C)C)c1,FGWZHYILWXTKPP-UHFFFAOYSA-N
-rxn:4:178381:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,NRXBKIFYWTUDGQ-UHFFFAOYSA-N
-rxn:4:178381:223891,CC(C)(C)c1cc(C(C)(C)C)c(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)c(C(C)(C)C)c1,WISUAWWNSITHNL-UHFFFAOYSA-N
-rxn:4:178384:226004,COc1cc(OC(F)(F)F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,HWVCFXCIPUGOKN-UHFFFAOYSA-N
-rxn:4:178384:226551,CCOc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(Cl)c1OC,PNJUXLPQNSZYHF-UHFFFAOYSA-N
-rxn:4:178384:227555,CCOc1c(Cl)ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,TTXARWUHTPOIQF-UHFFFAOYSA-N
-rxn:4:178384:228783,COc1ccc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,CLPNCRSGICORNC-UHFFFAOYSA-N
-rxn:4:178488:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OCC(F)F)c4c3CCCC4)ccc2OC)CC1,PBDGYLNKBNPDQS-UHFFFAOYSA-N
-rxn:4:178779:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2c(Cl)ccc(F)c2C(=O)C(F)(F)F)CC1,AAUVIOYGJHTBDY-UHFFFAOYSA-N
-rxn:4:180020:223786,CN1CCN(CCCOc2ccc(-c3cc(Cl)ccc3OC3CCCC3=O)cc2Cl)CC1,SPAWEXQTONOQIE-UHFFFAOYSA-N
-rxn:4:180696:223834,COC(=O)C1CCc2cc(-c3cc(C)c(S(=O)(=O)N4CCN(C)CC4)c(C)c3)ccc2S1,MYOJAEZEUADPHQ-UHFFFAOYSA-N
-rxn:4:180815:224292,COc1ccc(-c2ccc(S(=O)(=O)OCC(C)(C)C)c(C)c2)cc1C12CC3CC(CC(C3)C1)C2,CKIXVAFKKAFDLV-UHFFFAOYSA-N
-rxn:4:180855:223884,CC(C)(C)OC(=O)N1CCc2cc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)ccc2C1,DTUKNZZXOPKGOE-UHFFFAOYSA-N
-rxn:4:180942:223497,CC(c1ccc(-c2ccc(Cl)c(C(F)F)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,YILYDFSOZJBGOO-UHFFFAOYSA-N
-rxn:4:181636:223497,Cc1cc(C(F)(F)F)c(C)cc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,RPRTZNCCRHBEOR-UHFFFAOYSA-N
-rxn:4:181901:223595,Cc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc(C)c1S(C)(=O)=O,NIZSSDWJTWPFBV-UHFFFAOYSA-N
-rxn:4:182273:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4cc(C5CC5)ccc4c3)c(F)c2)CC1,BTRYITVNEULPID-UHFFFAOYSA-N
-rxn:4:182372:222803,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc1C2=O,FTRDHPVBALPNLT-QTTSBWOESA-N
-rxn:4:182372:224022,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc1C2=O,PODHGYCJBCYTBI-SZDLOISHSA-N
-rxn:4:182934:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc4c3CCC4(F)F)c(F)c2)CC1,KKIDDLMFBOOMRC-UHFFFAOYSA-N
-rxn:4:182942:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cccc4c3C(=O)CCS4)c2)CC1,WZVKEMPOGKLQQT-UHFFFAOYSA-N
-rxn:4:183195:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc3c(c2)C(=O)CCCS3(=O)=O)c(F)c(C(F)(F)F)c1,ZVEISLFLLFSPBG-UHFFFAOYSA-N
-rxn:4:183271:222920,Cc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCO2,AAVVWJDGDGFMFA-UHFFFAOYSA-N
-rxn:4:183271:224305,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)c(F)c1Cl,XFIOMVZSBFNFFT-UHFFFAOYSA-N
-rxn:4:183274:227456,CSc1nc2ccc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cc2s1,MFRVDWDTJHUWEU-UHFFFAOYSA-N
-rxn:4:183274:228194,Cc1nn(C(C)C)c(C)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,HXDMNEOITYZJJI-UHFFFAOYSA-N
-rxn:4:183274:229279,Clc1ncncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,FYAHSMOETGSFQI-UHFFFAOYSA-N
-rxn:4:183518:222860,CCCCNC(=O)c1ccc(F)c(-c2c(CC(=O)OCC)ccc(C#N)c2C(F)(F)F)c1,FWPLHIHGRRSMNE-UHFFFAOYSA-N
-rxn:4:183579:223562,CCC(Oc1c(C#N)cccc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(=O)OC,IXBOAJZXCFRQSE-UHFFFAOYSA-N
-rxn:4:183602:223695,CN(C)CCOc1cc(OC(F)(F)F)ccc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,OLSZWGXIPFVGET-UHFFFAOYSA-N
-rxn:4:183610:224411,CN(C)S(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCC2)c(C(F)(F)F)c1,GMNBBHXWGQCSCX-UHFFFAOYSA-N
-rxn:4:183636:223790,CCN(CC)C(=O)c1ccc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)c(OC(F)(F)F)c1,OGPUHYZBBNHHSN-UHFFFAOYSA-N
-rxn:4:183668:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc1,FULQTVAZVPHKMN-UHFFFAOYSA-N
-rxn:4:183720:223688,CCCN(CC1CC1)C(=O)c1cccc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2OC)c1F,UMDHAIUGILFITJ-UHFFFAOYSA-N
-rxn:4:183763:225426,CCN(CC)C(C)c1ccc(-c2cc(F)ccc2N(OC(=O)OC(C)(C)C)C2CC2)cc1,BGYHEQBPSNSKPT-UHFFFAOYSA-N
-rxn:4:183798:222878,COCCOc1cc(-c2ccc(F)c(C(=O)NC(C)(C)C)c2)ccc1C(=O)N1CCOCC1,SIYVLMHEKNXOLB-UHFFFAOYSA-N
-rxn:4:183800:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cc(CN(C)C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)c1,DKHUCKRDRYZAMZ-UHFFFAOYSA-N
-rxn:4:183804:222674,O=C(NC1CCCCC1)c1cccc(-c2cc(OC(F)(F)F)ccc2OCCN2CCCCC2)c1F,WDIREYKKQXYOHR-UHFFFAOYSA-N
-rxn:4:183829:225299,Cc1cc(-c2ccc(F)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)cc(C)c1S(=O)(=O)N(C)C,GJRHCQDWVUKDQT-UHFFFAOYSA-N
-rxn:4:183832:222883,CC(C)(C)NC(=O)c1ccc(-c2c(F)cccc2CN(C(=O)OC(C)(C)C)C2CC2)c(Cl)c1,YXNXFUFSRUCEBV-UHFFFAOYSA-N
-rxn:4:183836:224702,CCN(C(=O)COc1ccc(-c2cc(F)c(OC3CCCC3)c(F)c2C)cc1)C1CCS(=O)(=O)C1,HXZAJBITYGYVNU-UHFFFAOYSA-N
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-rxn:4:185644:224125,COC(=O)c1ccc(C2c3c(oc4ccc(-c5ccc(CN6CCN(C7CC7)CC6)cc5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,VLHKFEOULWBYRV-UHFFFAOYSA-N
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-rxn:4:186078:223559,CCOC(=O)c1cc(OC)nc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,SNRSLVYFEUGWCL-UHFFFAOYSA-N
-rxn:4:186197:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(C(=O)OC)c(OC)nc2OC)CC1,PVNORQXZRHOXLO-UHFFFAOYSA-N
-rxn:4:186199:223785,CCN1CCN(CCOc2ccc(-c3ccccc3C(C#N)C(=O)C3CC3)cc2Cl)CC1,WRMPAXMCAQXZKR-UHFFFAOYSA-N
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-rxn:4:186643:223504,COC(=O)C1(c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)ccc2C#N)CCC1,JHTWMSVMCPNNKV-UHFFFAOYSA-N
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-rxn:4:187013:223675,O=C(c1ccc(-c2cc(OCc3ccccc3)c(C(F)(F)F)cc2Cl)cc1OC(F)(F)F)N1CCCCC1,YBXKKRMEJPVSJY-UHFFFAOYSA-N
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-rxn:4:187283:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(CN3CCC(COC)CC3)cc2)c(F)cc1C,WRRJBNWXKRRTNS-UHFFFAOYSA-N
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-rxn:4:187316:224702,Cc1c(-c2ccc(OC(C)C)c(C(=O)N3CCOCC3)c2)cc(F)c(OC2CCCC2)c1F,CSKRNQOPQYHKLH-UHFFFAOYSA-N
-rxn:4:187363:224243,COc1ccc(-c2cc(F)cc(C(=O)N3CCCCC3C)c2)c(CN(C)C2CCOCC2)c1,ITLYPIRLRXQCAP-UHFFFAOYSA-N
-rxn:4:187372:222623,CCCC1CCCCN1C(=O)c1cccc(-c2cc(C(C)CC)nc(C3CCNCC3)c2)c1F,NEUIONXQQNBELM-UHFFFAOYSA-N
-rxn:4:187391:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1Oc1ccc(C(=O)N2CCOCC2)cc1,IGUXKHUORJSPRZ-UHFFFAOYSA-N
-rxn:4:187481:225592,COc1ccc(-c2cc(F)ccc2CN2CCCC2)cc1S(=N)(=O)CC1(C)CCOCC1,OXNXNVRZWRUWAL-UHFFFAOYSA-N
-rxn:4:187494:223686,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c3)cc2)C1,LFUWYXVGCKXJMZ-UHFFFAOYSA-N
-rxn:4:187500:225709,COc1cc(-c2ccc(OCCCN(C)C)nc2)cc(OC)c1C(=O)N1CCCCC1C,DBLLAMQXHKHEDW-UHFFFAOYSA-N
-rxn:4:187501:222585,CC(C)Oc1cccc(-c2ccccc2C(=O)NCCN2CCOCC2)c1CN1CCCC(F)(F)C1,APTKEQYVRAVHTG-UHFFFAOYSA-N
-rxn:4:187504:223882,Cc1cccc2c1cc(-c1ccc(OCCN3CCC4(CC3)OCCO4)c(F)c1)n2C(=O)OC(C)(C)C,DISAOOPSQYAEQP-UHFFFAOYSA-N
-rxn:4:187511:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2cccc(C(=O)c3ccc(CN4CCSCC4)cc3)c2)cc1F,HBZFGIDUQUPSHZ-UHFFFAOYSA-N
-rxn:4:187540:224162,CC(C)N(C)Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc(C(C)(C)C)c1,XFPVYNSEQADELN-UHFFFAOYSA-N
-rxn:4:187561:224864,CC(C)N(Cc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1)C(C)C,UMESQHWJSFAXOE-UHFFFAOYSA-N
-rxn:4:187561:226848,COc1ccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c(C(F)(F)F)n1,XHEBPFXSTMOSCE-UHFFFAOYSA-N
-rxn:4:187561:227024,CC(c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)c1)N(C)C,PZPZEEPLDXHCAZ-UHFFFAOYSA-N
-rxn:4:187572:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1,GCWGTWDKTSTVQU-UHFFFAOYSA-N
-rxn:4:187581:223692,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2cc(OCc3cccnc3)c(Cl)cc2C(F)(F)F)co1,HHBCJMWXQBZSEV-UHFFFAOYSA-N
-rxn:4:187587:222509,Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1,GJFGUCYPZFUOTP-UHFFFAOYSA-N
-rxn:4:187587:222969,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(C(=O)NCC4CC4)cc3)cc2Cl)CC1,QBPDRZSCVJHHNH-UHFFFAOYSA-N
-rxn:4:187593:224663,CN1CCN(Cc2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)c(F)c3)cc2F)CC1,PEHCKGWIYBDEPP-UHFFFAOYSA-N
-rxn:4:187619:225102,CCN(CC)C(=O)c1cc(-c2ccccc2-c2cccc(C(=O)N3CCC(C(F)(F)F)CC3)c2)ccc1F,CVUXXOFRKWQKMG-UHFFFAOYSA-N
-rxn:4:187640:225357,CCOc1cc(-c2ccccc2S(=O)(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)c(F)c(C(F)(F)F)c1,ZHJIUWJQLLHWIA-UHFFFAOYSA-N
-rxn:4:187656:226031,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2ccc(C(F)(F)F)cc2C(F)F)cc1C,CNBDQMYGTXEIGW-UHFFFAOYSA-N
-rxn:4:187656:226883,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2c(F)ccc(C(F)(F)F)c2F)cc1C,URIIMXCJZOMXBZ-UHFFFAOYSA-N
-rxn:4:187659:224076,CC(C)(C)OC(=O)N1CCC(C)(c2ccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)cc2)CC1,MRPXIKXGPQIXOK-UHFFFAOYSA-N
-rxn:4:187671:223176,CC(C)(C)c1cc(CN2CCC(C(F)(F)F)CC2)cc(-c2cccc(CNS(C)(=O)=O)c2)c1,JLJZOMZFUNSHPJ-UHFFFAOYSA-N
-rxn:4:187677:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)c1,HMODYPCAIHTMNA-UHFFFAOYSA-N
-rxn:4:187685:225279,Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1ccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)cc1,CHNAKHMOENEGOI-UHFFFAOYSA-N
-rxn:4:187696:224970,Cc1cc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C,MBQOIDQJKLOVJD-UHFFFAOYSA-N
-rxn:4:187778:223568,CCOC(=O)C(C)N1C(=O)C(=O)c2cc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)ccc21,ILCYJKKPKOOEKD-UHFFFAOYSA-N
-rxn:4:187916:225498,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1cc(C2CCCCC2)ccc1F,BIAJHWKCGRQPBJ-UHFFFAOYSA-N
-rxn:4:187948:222486,COc1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)c(C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)c1,PGLCGPFGNQSKCP-UHFFFAOYSA-N
-rxn:4:187971:223941,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(-c3ccc4c(c3)CC(=O)N4C(=O)OC(C)(C)C)cc21,VEIFQDRBFGMSHG-UHFFFAOYSA-N
-rxn:4:188293:224292,Cc1cc(-c2cnc(C(F)(F)F)cc2C(=O)C(F)(F)F)ccc1S(=O)(=O)OCC(C)(C)C,KUUZEEWSJZPUPA-UHFFFAOYSA-N
-rxn:4:189809:222523,COC(=O)C1CCN(c2cccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)c2)C1,KLTWDSOQNUAYSF-UHFFFAOYSA-N
-rxn:4:189831:223867,CC1CCN(CCCOc2cccc(-c3ccc(CC(=O)N4CCOCC4)cc3F)c2)CC1,VGBREANUPYQQER-UHFFFAOYSA-N
-rxn:4:189831:223941,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3ccc(CC(=O)N4CCOCC4)cc3F)ccc21,CLPVNNSWAPTXLU-UHFFFAOYSA-N
-rxn:4:189873:222947,OC1CCCN(c2ncc(-c3cc(CN4CCC(F)(F)C4)cc(C(F)(F)F)c3)c(Cl)n2)C1,NYAGCZKBVKNMHB-UHFFFAOYSA-N
-rxn:4:189943:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1CS(=O)(=O)N1CCOCC1,ISKFJMIHMKSDAC-UHFFFAOYSA-N
-rxn:4:189973:223992,Cc1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,QRUALAIARMEGFJ-UHFFFAOYSA-N
-rxn:4:190019:222703,CN(C(=O)c1cccc(-c2ccc(C(F)(F)F)c(C3CCNCC3)c2)c1)C1CCS(=O)(=O)C1,XKWZXPSLPLCXSQ-UHFFFAOYSA-N
-rxn:4:190035:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cc(CC(=O)N3CCC(F)(F)CC3)ccc2Cl)cc1,OUEDCXPWCPNRHA-UHFFFAOYSA-N
-rxn:4:190143:222621,COC1CCN(C(=O)c2cccc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)c2F)CC1,RYSGXKYVJVDRRS-UHFFFAOYSA-N
-rxn:4:190152:223671,CCC(C)N1C(=O)SC(=Cc2cccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)C1=O,MHBMCKZQRGPACM-UHFFFAOYSA-N
-rxn:4:190227:224633,COc1ccc(CN2CCOCC2)cc1-c1cc(S(C)(=O)=O)ccc1CN1CCOCC1,VEAHYLJLPQJCIB-UHFFFAOYSA-N
-rxn:4:190227:224634,COc1ccc(-c2cc(S(C)(=O)=O)ccc2CN2CCOCC2)cc1CN1CCOCC1,SPAHEVTXDGMZGN-UHFFFAOYSA-N
-rxn:4:190235:223922,CCC(=O)C1CCCN(c2c(F)cccc2-c2ccc(Cl)c(C(=O)N(C)C3CCCCC3)c2)C1=O,GKFRKAXGXBEUCO-UHFFFAOYSA-N
-rxn:4:190261:224325,COc1cc(OC2CCN(C)CC2)ccc1-c1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1,ZMQCOEVZKKPRSO-UHFFFAOYSA-N
-rxn:4:190300:223728,CCCCCC1CCC(c2ccc(-c3ccc(OC)c(C=C4SC(=S)N(c5ccc(F)cc5)C4=O)c3)c(F)c2)CC1,GNVWUGPVWFFLQC-UHFFFAOYSA-N
-rxn:4:190354:224420,Cc1cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,ZTLMFCGQWJAKHQ-UHFFFAOYSA-N
-rxn:4:190376:222623,CCC(C)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc(C2CCNCC2)n1,UTMDJNNGNPWTKX-UHFFFAOYSA-N
-rxn:4:190391:224170,COc1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccc(OCCCN2CCCC2)c(Cl)c1,OFKGJGFZSHFHGA-UHFFFAOYSA-N
-rxn:4:190396:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc(N3CCCC(C(=O)C(C)C)C3=O)c2F)cc1,GYIXYHCXOLPRTA-UHFFFAOYSA-N
-rxn:4:190397:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc(C(=O)CN3C(=O)CC4(CCCC4)C3=O)cc2)c1,SDUDNVORXRFSIF-UHFFFAOYSA-N
-rxn:4:190404:222619,O=C(NCc1ccc(-c2ccc(C(=O)N3CCSC(c4ccccc4Cl)CC3)o2)cc1)C1CCCCC1,GSWYZHDMRVHYRK-UHFFFAOYSA-N
-rxn:4:190446:223775,COc1ccc2c(c1)c(-c1ccc(N3CCCC(C(=O)C(C)C)C3=O)cc1C)cn2C(=O)OC(C)(C)C,IQUWWVRZBZBUJN-UHFFFAOYSA-N
-rxn:4:190475:224075,CC(C)(C)[Si](C)(C)n1ccc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc21,LVKGLSJZBZTOOZ-UHFFFAOYSA-N
-rxn:4:190485:224618,CC(C)(C)[Si](C)(C)OCc1cc(-c2cccc(C(=O)N3CCC(c4ccccc4F)S(=O)(=O)CC3)c2)ccn1,KACJLAPTXXJHIN-UHFFFAOYSA-N
-rxn:4:190487:224607,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1-c1ccc(C(=O)OCC[Si](C)(C)C)cc1,BAMNATIOFFQRFA-UHFFFAOYSA-N
-rxn:4:190577:223542,COC(=O)Cc1c[nH]c2c(F)ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)c12,UEKWUEVPZRNTAN-UHFFFAOYSA-N
-rxn:4:190790:224325,COc1cc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)ccc1C(=O)N1CC2CC2C1,OWAOBDBTSITAGJ-UHFFFAOYSA-N
-rxn:4:190834:222829,CNS(=O)(=O)c1ccc(-c2cc(F)c3c(c2)CN(C(=O)OC(C)(C)C)C3=O)c(C(F)(F)F)c1,SRKGCKLJADQTPZ-UHFFFAOYSA-N
-rxn:4:190899:222751,Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)cc1NC(=O)OC(C)(C)C,YRESHLSYWZNAHE-UHFFFAOYSA-N
-rxn:4:190979:222827,COc1cc(-c2cc(F)c(S(=O)(=O)NC3CC3)cc2F)cc2cc(C(=O)N3CCOCC3)c(=O)oc12,VCCVQSVMKIXGMQ-UHFFFAOYSA-N
-rxn:4:190980:223481,CC(=O)c1c(Sc2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc2)nc2ccccc2c1C,KTMOCTHLFDIFKK-UHFFFAOYSA-N
-rxn:4:190983:224486,CC(C)N(C(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1)C(C)C,BMDQSWGDHRRTQG-UHFFFAOYSA-N
-rxn:4:191006:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(S(=O)(=O)N2C3CCC2CC(OC)C3)cc1,PMVDEFDWPRVUFU-UHFFFAOYSA-N
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-rxn:4:199826:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1ccc(CCN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1,XENJIBIXGDASBP-UHFFFAOYSA-N
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-rxn:4:199879:224866,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(-c2ccccc2OCc2ccccc2)cc(C(C)(C)C)c1,ZXWHFQWEALLTEJ-RUZDIDTESA-N
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-rxn:4:204834:224633,COc1ccc(CN2CCOCC2)cc1-c1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1,RTORSJUGTWQJLO-UHFFFAOYSA-N
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-rxn:4:204877:226290,Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)ccc1-c1cccc(C(=O)OC(C)C)c1,LYZZXHQEZHGZPF-UHFFFAOYSA-N
-rxn:4:204915:223568,CCC1Oc2c(OC)cc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2C2CC(c3ccc(Cl)cc3)=NN12,NUBWUZIIUNVBAI-UHFFFAOYSA-N
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-rxn:4:205386:223532,CCn1ncc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C(C)=O,SZLBLWPWDHWEJS-UHFFFAOYSA-N
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-rxn:4:206398:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cccc(-c2noc(C(C)C)n2)c1,IAGDLHSRMIZXJT-UHFFFAOYSA-N
-rxn:4:206431:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(Cl)c(C(=O)N4CCOCC4)c3)c2)CC1,HWZZLKRYRQFQPJ-UHFFFAOYSA-N
-rxn:4:206544:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCOCC4)cc3C(F)(F)F)c2)CC1,LPLAEAGCRDEZCI-UHFFFAOYSA-N
-rxn:4:206694:223831,COc1ccc(-c2cccc(C3CCCN3S(C)(=O)=O)n2)cc1S(=O)(=O)N1CCC(C)CC1,MPZACTZRQAPBEG-UHFFFAOYSA-N
-rxn:4:206730:224369,CCN(CC)S(=O)(=O)c1cc(-c2cccc(N3CCCC(C(F)(F)F)C3)n2)c(F)cc1C,ZOFLQIOVUHRPPG-UHFFFAOYSA-N
-rxn:4:206752:222722,O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)c(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c1,DUFNOIWIGIRWEB-UHFFFAOYSA-N
-rxn:4:206761:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(F)c2)c1,DZADTCFBYRZSGO-UHFFFAOYSA-N
-rxn:4:206963:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3N3CCN(S(C)(=O)=O)CC3)c(F)ccc21,FQZIJVSNAZSRIT-UHFFFAOYSA-N
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-rxn:4:207012:222466,c1cc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc(N2CCN(C3COC3)CC2)c1,WUXNYYJMYHGNRV-UHFFFAOYSA-N
-rxn:4:207058:224732,Cc1cc(-c2ccc(S(=O)(=O)OCC(C)(C)C)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,HZTAHBNVAMDXRO-UHFFFAOYSA-N
-rxn:4:207081:223787,CN1CCN(CCCOc2ccc(-c3cncc(C(=O)N4CC5(COC(C)(C)OC5)C4)c3)cc2F)CC1,CSIMRMHIYFBDJN-UHFFFAOYSA-N
-rxn:4:207748:224950,COc1ccc(-c2cccc(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)c2)c(CN2CCCC2)c1,IYXUFMZZIDVYIS-UHFFFAOYSA-N
-rxn:4:207815:222723,Cc1cc2c(c(C)nn2C2CCCCO2)c(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)c1C(F)(F)F,HMCJAQXEKRRVTL-UHFFFAOYSA-N
-rxn:4:207831:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(-c4nc5sccn5c4C=C4C(=O)OC(C)(C)OC4=O)cc3)cc2)C1,DEOACSAHWALJLP-UHFFFAOYSA-N
-rxn:4:207850:222607,Cc1ccc(N2C(=O)N(c3ccc(-c4ccc(NC5CCN(S(C)(=O)=O)CC5)cc4)cc3)C3CS(=O)(=O)CC32)cc1,BPRYUOYHIDRVLR-UHFFFAOYSA-N
-rxn:4:207890:222774,Cc1c(-c2ccc(F)c(CN3CCC(O)CC3)c2)cnn1CC12CC3CC(CC(C3)C1)C2,BIQSYYPCUWPJNN-UHFFFAOYSA-N
-rxn:4:207890:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)c1Cl,AXBFIPQEOMVOSF-UHFFFAOYSA-N
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-rxn:4:212546:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cnn(C)c2CN(C(=O)OC(C)(C)C)C2CC2)cc1,JWYWGUSLTRBHGY-UHFFFAOYSA-N
-rxn:4:212547:223602,CCOCCN1CCC(Oc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,LJWYFAHTBJEIFT-UHFFFAOYSA-N
-rxn:4:212567:224874,O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ncc(-c3cccc(COC4CCCCC4)c3)cn2)C1,ZZJZUQOCKVHHHZ-UHFFFAOYSA-N
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-rxn:4:212624:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2CCC(=O)N2CCC(Oc3ncc(F)cn3)CC2)c1,WSVQOELRPWJXNL-UHFFFAOYSA-N
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-rxn:4:212648:224000,Cn1cc(-c2cnc(-c3cccc(C(F)(F)F)c3)c(Cl)c2)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1,HLNAVHJBLLASFE-UHFFFAOYSA-N
-rxn:4:212649:224251,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CCCC(C)C4)cc3F)cn2)C1,VVOGWGPPVSMMSI-UHFFFAOYSA-N
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-rxn:4:214064:228102,CC(C)Cc1ncncc1-c1ccc(CN2CCN(S(C)(=O)=O)CC2)c(N2CCOCC2)c1,WJBQEWXZYGSWEM-UHFFFAOYSA-N
-rxn:4:214072:222833,CC(C)CCC(=O)Nc1cccc(-c2cccc(N3C(=O)CC(N4CCN(Cc5ccccc5)CC4)C3=O)c2)c1,OETDMDKDPIMBKE-UHFFFAOYSA-N
-rxn:4:214082:224386,CC(C)N1CCN(Cc2ccc(-c3cnc(-c4cccc(C(F)(F)F)c4)nc3)cc2N2CCOCC2)CC1,OKDATMSHLNGUHY-UHFFFAOYSA-N
-rxn:4:214086:227089,CC(C)N1CCN(Cc2ccc(-c3ccncc3C3CCCC3)cc2N2CCCCC2)CC1,BUQFSYIMRBTICD-UHFFFAOYSA-N
-rxn:4:214259:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1cccc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1,BAPQOFNKAQQACD-UHFFFAOYSA-N
-rxn:4:214270:223903,O=C1CCN(C(=O)CCc2ccccc2-c2cncc(C(=O)N3CCC(Oc4cccc5cccnc45)CC3)c2)CC1,XOIKZLBGINTYSM-UHFFFAOYSA-N
-rxn:4:214298:223843,CCN(CC)S(=O)(=O)c1ccc(-c2nc(C(=O)N3CCC(c4noc5cc(F)ccc45)CC3)c(C(C)C)s2)c(C(F)(F)F)c1,LKFVZWYIVPEBAX-UHFFFAOYSA-N
-rxn:4:214321:225728,CCCCOc1ccc(-c2ccc3c(c2)ncn3C2CCCN(C(=O)OC(C)(C)C)CC2)c(F)c1F,NWBDUCSQRPRRBE-UHFFFAOYSA-N
-rxn:4:214322:225257,CCOC(=O)COc1cc(F)cc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)cc2)c1,DUNYSQPJCUGLRD-UHFFFAOYSA-N
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-rxn:4:214353:223280,CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](n2cc(-c3cnc(C4CCNC4)nc3)c3cnc(Cl)nc32)CC1,FPYFUNYNKQEHKJ-DASMUKNDSA-N
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-rxn:4:214655:224360,COC(=O)c1ccc(-c2cnn(C(C)C(=O)N3CCC(F)(F)CC3)c2)n1C(=O)OC(C)(C)C,YXZQUERPTAGIMB-UHFFFAOYSA-N
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-rxn:4:214741:224337,CC(C)N1CCN(C(=O)c2ccc(-c3cnc(C(F)(F)F)c(C4CCCCC4)c3)nc2)CC1,YNRUGGCTPDQAKC-UHFFFAOYSA-N
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-rxn:4:214838:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1Cl,MFNFIPGIWUWKFC-UHFFFAOYSA-N
-rxn:4:214839:227252,CCCOc1cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)ccc1Cl,KFBRPDJSUVSKOT-UHFFFAOYSA-N
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-rxn:4:214872:226095,CCCCOc1cc(C)cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,FPRGOWVPGXQIHM-UHFFFAOYSA-N
-rxn:4:214875:225730,CCCCOc1c(Cl)ccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(F)c2)c1F,QFUVEJJFMHGBKP-UHFFFAOYSA-N
-rxn:4:214880:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1OCC,MNNKLQNBDJPVHC-UHFFFAOYSA-N
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-rxn:4:214883:226993,CCCOc1ccc(-c2cnccc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1C,GUJNEZHMRKKMIG-UHFFFAOYSA-N
-rxn:4:215100:222912,CC(C)CNS(=O)(=O)c1ccc(-c2cnc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1,PXFOMVNGGPPTOB-UHFFFAOYSA-N
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-rxn:4:215302:225192,Fc1cnc(OC2CCCCC2)cc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,PPCVWEOMQGUTLI-UHFFFAOYSA-N
-rxn:4:215304:223141,Cc1ccc(C2=NN3C(C2)c2cc(-c4cncc(C5CCNCC5)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,JSSHGHUHVCKHIJ-UHFFFAOYSA-N
-rxn:4:215831:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2cnn(C)c2C(=O)N2CCCC(F)(F)C2)c1F,BVSKWOVJKTZRGJ-UHFFFAOYSA-N
-rxn:4:215895:224081,CC1CCN(c2cc([N+](=O)[O-])cc(-c3ccccc3CCO[Si](C)(C)C(C)(C)C)n2)CC1,RKYZIGBLYLPFTI-UHFFFAOYSA-N
-rxn:4:215941:223952,CN1CCN(CCOc2ccc(-c3ccncc3N3CCC(N(C)C)CC3)cc2Cl)CC1,QSYVEJOIJYTAGI-UHFFFAOYSA-N
-rxn:4:215953:222582,CN(C)C1CCN(c2ccc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)CC1,GIODBAMJDXNRAI-UHFFFAOYSA-N
-rxn:4:215955:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnccc3N3CCC(N(C)C)CC3)c(F)c2)CC1,ZIWMQRIUNKUWDE-YHBQERECSA-N
-rxn:4:216245:224774,CN1CCN(C(=O)C(C)(C)C)c2cc(-c3ccc(N4CCCC4)c(C(F)(F)F)c3)cnc21,MAYWILMBEJCQOM-UHFFFAOYSA-N
-rxn:4:217906:222892,COc1cc(N2CCNCC2)ccc1-c1ccc2c(c1)C1CC(c3ccccc3)=NN1C1(CCN(C)CC1)O2,LYXVIUVRJFDUTH-UHFFFAOYSA-N
-rxn:4:218606:224324,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(F)c(C(=O)N4CCC(=O)CC4)c3)cn2)C1,IKXCURCDBYDPDS-UHFFFAOYSA-N
-rxn:4:218641:224193,CCN1CCN(Cc2cc(-c3ccccc3CCC(=O)N3CCC(S(=O)(=O)c4nncn4C)CC3)ccc2F)CC1,LYBRHLNUQACVMW-UHFFFAOYSA-N
-rxn:4:218663:223488,CN(C)c1ccc(C(=O)N2CCC(COc3ncc(-c4cc5cc(Oc6ccccc6)ccc5n4C(=O)OC(C)(C)C)cn3)CC2)cc1,QYKPJPZXKJUSCY-UHFFFAOYSA-N
-rxn:4:218699:225127,Cc1cc(-c2cccc(-c3ccc(C#N)c(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)c2)c(F)c(OCC(C)C)c1F,BSRFYFJJZLYHNO-UHFFFAOYSA-N
-rxn:4:218704:225302,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cc(C(F)(F)F)ncc4C(C)(C)C)cc3)n[nH]2)CC1,CTRUEFPHPAUTGZ-UHFFFAOYSA-N
-rxn:4:218711:229170,Cc1nc(Cl)ncc1-c1cc([N+](=O)[O-])ccc1N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1,YXMVGBSFADNSAJ-UHFFFAOYSA-N
-rxn:4:218712:225220,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cnc(N5CCCCC5C)c(Cl)c4)c3C)CC2)c(C)c1,CKXHDONRVBPCDY-UHFFFAOYSA-N
-rxn:4:218745:224497,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)Cn5c(=O)oc6ccccc65)C4)nc3)cc2)CC1,AZZSPXCEAFTNSU-UHFFFAOYSA-N
-rxn:4:218749:224584,CC1CCN(C(=O)c2cccc(-c3cnc(OCC4CCCN(C(=O)Cn5ccc6ccccc65)C4)nc3)c2)CC1,SSVKJDBOXIYKHI-UHFFFAOYSA-N
-rxn:4:218767:222694,Cn1cc(CC(=O)N2CCCC(COc3ncc(-c4cccc(S(=O)(=O)NC5CCCCC5)c4)cn3)C2)c2ccccc21,UJDUMDGWUMZOFQ-UHFFFAOYSA-N
-rxn:4:218768:222833,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1cccc(NC(=O)CCC(C)C)c1,KCUQZIAWQSBGFU-UHFFFAOYSA-N
-rxn:4:218786:227789,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cc(Cl)nc(C(F)(F)F)c5)cccc4c3C2)CC1,ATPCILLDKYPSHG-UHFFFAOYSA-N
-rxn:4:218824:222582,CN(CC1CN(c2ncc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,CVQNSAJPWAJLKB-UHFFFAOYSA-N
-rxn:4:218905:222723,Cc1nc(CN2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)co1,UODZFJQPAUUZCJ-UHFFFAOYSA-N
-rxn:4:218905:223960,CCN1CCN(C(=O)c2cc(-c3cnc(OCC4CCCN(Cc5coc(C)n5)C4)nc3)ccc2F)CC1,DORFSTWDSCANKS-UHFFFAOYSA-N
-rxn:4:218914:223501,Cc1nc(CN2CCC(COc3ncc(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cn3)CC2)cs1,AMOZTHJOQYKKTB-UHFFFAOYSA-N
-rxn:4:218965:224305,Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c1F,MVXLZCYQBXZZLC-UHFFFAOYSA-N
-rxn:4:218970:224589,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccc(F)cc3CN3CCC(C)CC3)cn2)C1,JVSURLBTTIDOLN-UHFFFAOYSA-N
-rxn:4:218972:222634,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)s1,BUKFTJKRXBPCMM-UHFFFAOYSA-N
-rxn:4:218999:223900,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c2)cc1C#N,CYTLQIGZYZOZDR-NRFANRHFSA-N
-rxn:4:219000:225127,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(CCn4ncccc4=O)CC3)cc2)c(F)c(OCC(C)C)c1F,HORUZBSNGAPSRP-UHFFFAOYSA-N
-rxn:4:219016:223916,CC(C)N1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCCC(N(C)c5ncccc5C(F)(F)F)C4)c3)cc2)CC1,QRJMLSPDLQAAMF-UHFFFAOYSA-N
-rxn:4:219044:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cncc(C(=O)N2CCC(Cn3ccnc3C(C)C)CC2)c1,RAUJQLJIIZVYEZ-UHFFFAOYSA-N
-rxn:4:219047:222394,COc1ccc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,TYGTZRBJGMSHLI-SOAUALDESA-N
-rxn:4:219064:223900,COc1ccc(-c2cc(N3CCN(C(=O)c4ccccc4-c4ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c4)CC3)[nH]n2)cc1,ZBAGALLOJMRRQY-UHFFFAOYSA-N
-rxn:4:219072:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cccc(-c3nnc(CC(=O)N4CCN(C5CCCCC5)CC4)o3)c2)cc1,NDPDZNFDOJDNJX-UHFFFAOYSA-N
-rxn:4:219073:224284,COc1ccc(COc2ncc(-c3ccc(C(=O)N4CCN(c5ccc([N+](=O)[O-])c(N6CCCC6)c5)CC4)cc3)cn2)cc1,HVFPTFQPCCYDCZ-UHFFFAOYSA-N
-rxn:4:219087:223648,CCOC(=O)Cn1cc(-c2nn(C)c3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc23)cn1,YENZUYZYHDHTPY-UHFFFAOYSA-N
-rxn:4:219093:222774,CCC(=O)C1=C(c2ccc(-c3ccc(F)c(CN4CCC(O)CC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,YITIYNBBBXDHCL-UHFFFAOYSA-N
-rxn:4:219096:223556,CC(C)(C)OC(=O)n1c2ccccc2c2cc(-c3cnn(CC4CN(C(=O)CN5C(=O)c6ccccc6C5=O)C4)c3)ccc21,ARGDIBBILVQHOP-UHFFFAOYSA-N
-rxn:4:219120:224375,O=C(ON1C(=O)CCC1=O)c1ccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)cc1,CXPKEPXHPLPFOI-UHFFFAOYSA-N
-rxn:4:219144:222676,CC(C)(C)OC(=O)NCc1ccc(F)cc1-c1cnc(OC2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)nc1,MIDFJSUNTGDKDG-UHFFFAOYSA-N
-rxn:4:219182:225984,COc1ccc(-c2cnc(Cl)c(N3CCOCC3)c2)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1,DGGNFCPOQMYQKW-UHFFFAOYSA-N
-rxn:4:219258:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)nc1,AALJVUKUXONNSB-UHFFFAOYSA-N
-rxn:4:219336:225286,CC(C)(C)OC(=O)c1cnc(F)cc1-c1cnn(CC2CN(C(=O)N3CCOCC3)C2)c1,ZVRLKCIYBMRJSU-UHFFFAOYSA-N
-rxn:4:219340:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)c3ccccc23)CC1,LQWJNNJEFFAEQS-UHFFFAOYSA-N
-rxn:4:219353:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cnc(OC2CCN(S(=O)(=O)N(C)C)CC2)nc1,SWYHKSNPROJDSW-UHFFFAOYSA-N
-rxn:4:219353:222976,Cc1cc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)ccc1C(=O)NC1CC1,GXEJNPMLPFRFKM-UHFFFAOYSA-N
-rxn:4:219354:222585,CN(C1CCN(c2ncc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)C1)S(=O)(=O)C1CC1,PGWDPQPZEKIKCI-UHFFFAOYSA-N
-rxn:4:219381:224807,CSc1ncc(-c2cc(C(F)(F)F)cc(OC(C)C)c2F)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1,HUYBGNBAQXKCMR-UHFFFAOYSA-N
-rxn:4:219386:224324,Cn1nc(C(=O)N2CCC(Oc3ccncc3-c3ccc(F)c(C(=O)N4CCC(=O)CC4)c3)C2)ccc1=O,MJUXLGNTONHROH-UHFFFAOYSA-N
-rxn:4:219407:224291,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCCN4CCOCC4)c(F)c3)cn2)CC1,OWFKSZPMMWCZBA-UHFFFAOYSA-N
-rxn:4:219475:223960,CCN1CCN(C(=O)c2cc(-c3cccnc3OC3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)ccc2F)CC1,JSIMVDJPOLVPLX-UHFFFAOYSA-N
-rxn:4:219487:225359,COc1cc(-c2cnc(N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c(C(F)(F)F)cc1OC,KSAUTQGQPLJAGX-UHFFFAOYSA-N
-rxn:4:219501:222584,CSc1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,BFXZSUGAPBPZKK-UHFFFAOYSA-N
-rxn:4:219531:222848,CCc1cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCCC3)C2)cc(C2CCCNC2)n1,VMWPZMVKKGBUEH-UHFFFAOYSA-N
-rxn:4:219534:222894,CCCCS(=O)(=O)Nc1cccc(-c2cncc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2)c1,HMBNZMDIFGPAQA-UHFFFAOYSA-N
-rxn:4:219537:222744,CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1S(=O)(=O)N1CCN(c2ccc(C3CC3)nn2)CC1,NWKNAAWNJKLHAH-UHFFFAOYSA-N
-rxn:4:219552:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)c1,OESUYUONQKSHBT-UHFFFAOYSA-N
-rxn:4:219559:227251,CCCOc1ccc(F)cc1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)o1,WREMIWSKHGLFAV-UHFFFAOYSA-N
-rxn:4:219562:224584,CC1CCN(C(=O)c2cccc(-c3cncc(C(=O)N4CCC(N5CC(=O)N(c6ccccc6)C5=O)CC4)c3)c2)CC1,UCJCSYMNBZNARM-UHFFFAOYSA-N
-rxn:4:219569:223867,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cccc(OCCCN3CCC(C)CC3)c2)cc1[N+](=O)[O-],ZDKMWMFTVHOAAU-UHFFFAOYSA-N
-rxn:4:219569:225048,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2ccc(N3CCN(C)CC3)cc2C)cc1[N+](=O)[O-],OVBKYQHBCCIOEK-UHFFFAOYSA-N
-rxn:4:219653:225294,CCN1CCN(c2ncc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cn2)CC1,DQQDWVSJBBHPHV-UHFFFAOYSA-N
-rxn:4:219653:225825,CN1CCN(c2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)cn2)CC1,VTUYBLUZMKXUSR-UHFFFAOYSA-N
-rxn:4:219653:225827,CN1CCN(c2cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)ccn2)CC1,BROXHPNYXZABFO-UHFFFAOYSA-N
-rxn:4:219653:225877,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(Cl)cc4N4CCOCC4)nc3s2)CC1,ICVCWCRMOKLJQR-UHFFFAOYSA-N
-rxn:4:219654:224773,Cc1cc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)ccc1S(=O)(=O)N1CCCC1,CKUVUEJSTXVBDS-UHFFFAOYSA-N
-rxn:4:219706:223055,Cc1nc(N2CCNCC2)ccc1-c1cc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2cc1Cl,ZSEMQHSJKCTRAK-UHFFFAOYSA-N
-rxn:4:219706:223059,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc(N5CCNCC5)cc4Cl)c(Cl)cc23)CC1,SJPOQLLRVLOOTJ-UHFFFAOYSA-N
-rxn:4:219759:224800,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(OC(F)(F)F)c(OC(C)C)c4)cc2)OC3)CC1,KRGQEJKTMJBDKQ-UHFFFAOYSA-N
-rxn:4:219759:225901,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cn(C(=O)OC(C)(C)C)nc4C)cc2)OC3)CC1,JIQKIJHUDHFEND-UHFFFAOYSA-N
-rxn:4:219766:222482,Cc1ccc(NC(=O)c2ccc(-c3cncc(C(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)c3)cc2F)c(C)c1,HTRYHSUUIKEMEO-UHFFFAOYSA-N
-rxn:4:219904:224325,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cn2)CC1,NBCWWCPLQWXCST-UHFFFAOYSA-N
-rxn:4:219908:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc(-c2nc(C#N)c(N3CCCN(C)CC3)o2)o1,ZUBZCVSNUBKKKU-UHFFFAOYSA-N
-rxn:4:219929:222788,CC(C)N1CCN(C(=O)c2cnn(C)c2-c2ccc(NC(=O)OC(C)(C)C)cc2F)CC1,ANMRDBVPCMXQDX-UHFFFAOYSA-N
-rxn:4:219937:223687,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)n3)C2)c1,QAFFAPNDDBUHJA-UHFFFAOYSA-N
-rxn:4:219985:223602,CCc1cnc(N2CCN(c3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3)CC2)nc1,WBUVNUFQABIEMR-UHFFFAOYSA-N
-rxn:4:220129:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CC5C(=O)N(Cc6ccccc6)C(=O)C5C4)nc3)ccc21,SUMCVIRXOJDTDY-UHFFFAOYSA-N
-rxn:4:220222:223602,Cc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1,FDVDGYUJUKZTBV-UHFFFAOYSA-N
-rxn:4:220413:223567,CC(C)Oc1ccc2c(c1)cc(-c1cnc(N3CCC(N(C)C)CC3)nc1)n2C(=O)OC(C)(C)C,YELMXXIWKXTUHH-UHFFFAOYSA-N
-rxn:4:220428:223669,Cc1ccnc(N2CCN(c3cccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)c3)CC2)n1,ROZOVSYAQGMYJX-UHFFFAOYSA-N
-rxn:4:220428:223670,Cc1ccnc(N2CCN(c3cccc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)c3)CC2)n1,JJEQDPAFWQAMLU-UHFFFAOYSA-N
-rxn:4:220428:223671,Cc1ccnc(N2CCN(c3cccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)CC2)n1,YVARPGGBRQCBQI-UHFFFAOYSA-N
-rxn:4:220518:223669,CCN1CCN(c2cnc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc3n2)CC1,ZFJKKQUBEIVFMO-UHFFFAOYSA-N
-rxn:4:220518:223671,CCN1CCN(c2cnc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3n2)CC1,DISOJZVXQLQPBV-UHFFFAOYSA-N
-rxn:4:220519:223593,CCN1CCN(c2ncnc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cc23)CC1,FEEGSCBCOHOGQC-UHFFFAOYSA-N
-rxn:4:220519:223595,CCN1CCN(c2ncnc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cc23)CC1,XDHMKKOOLKYEGV-UHFFFAOYSA-N
-rxn:4:221090:224759,CCOC(=O)c1cnc(N2CCCC2)nc1Cn1cc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)cn1,OLMLVKWAQCUKNE-UHFFFAOYSA-N
-rxn:4:221110:228183,COCc1cc(-c2cnc(N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2)ccc1Cl,QTXIQJYGJQJHDI-UHFFFAOYSA-N
-rxn:4:221121:223239,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cncc(C6CCCN6)c5)ccc43)CC2)CC1,TXRSPWYBYWAUDO-UHFFFAOYSA-N
-rxn:4:221126:223789,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cc(O[Si](C)(C)C(C)(C)C)cc(C(=O)OC)c5)cc4)nnn3c3ccsc23)C1,FNUMPEOPFDGQMA-UHFFFAOYSA-N
-rxn:4:221162:224127,CCN1CCN(C(C)c2ccc(-c3ccc(C)c(C(=O)N(C)C4CN(c5nccnc5C#N)C4)c3)cc2)CC1,FQOLKPYKJKKREL-UHFFFAOYSA-N
-rxn:4:221168:222700,Cn1cc(CN2CCCC(COc3ncc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cn3)C2)cn1,XWEIPTFCGPQBHK-UHFFFAOYSA-N
-rxn:4:221169:222885,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)NC5CCOC5)cc4)cn3)C2)cn1,HJZURYXDZQESNH-UHFFFAOYSA-N
-rxn:4:221181:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)n(C)n5)C4)nc3)c(F)c2)CC1,NCVPYSGIMSUEFD-PECFQXNXSA-N
-rxn:4:221181:224371,COC(=O)C1CCN(c2ncc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)n(C)n5)C4)nc3)cn2)CC1,RGYMRSYXJCGMFR-UHFFFAOYSA-N
-rxn:4:221188:224665,CC(C)c1nccc(N2CCCC(COc3ncc(-c4ccc(F)cc4CN4CCN(C)CC4)cn3)C2)n1,XHPKVBZDNFLJGD-UHFFFAOYSA-N
-rxn:4:221192:222700,CCn1nccc1-c1nc(C2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3C3CCCNC3)CC2)no1,PCFDMQHXQQMULQ-UHFFFAOYSA-N
-rxn:4:221193:225984,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4cnc(Cl)c(N5CCOCC5)c4)cn3)C2)CC1,RQDRJVFMERNHKA-UHFFFAOYSA-N
-rxn:4:221194:224811,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cn3)CC2)cn1C,ISFSCFIYCGGXFX-UHFFFAOYSA-N
-rxn:4:221199:222717,Cc1cc(-c2ccc(-c3ccc(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)n3)cc2)c(S(=O)(=O)NC(C)(C)C)cc1F,YSKPFFCRFAFLPQ-UHFFFAOYSA-N
-rxn:4:221208:226264,CCCCOc1ccc(-c2ccc(CCN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)c(F)c1,FEZDIAUIGAPTDX-UHFFFAOYSA-N
-rxn:4:221209:223923,Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(-c4ccc(F)c(C(=O)N(C)C5CCCCC5)c4)cc3)CC2)n1,IQRDPTIEGFPSSO-UHFFFAOYSA-N
-rxn:4:221240:225173,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4ccc(C(=O)N5CCCC5)cc4F)cn3)C1)CCC2,GOGCKZMLKQBPJN-UHFFFAOYSA-N
-rxn:4:221247:225377,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4ccc(OC(F)F)c(C(F)(F)F)c4)cc3)nc2n(C)c1=O,AHPAQHQJBDZXSX-UHFFFAOYSA-N
-rxn:4:221260:223498,CCOCCn1c(=O)c2c(nc3n(-c4ccc(-c5ccc(C(=O)N6CCCN(C(=O)OC(C)(C)C)CC6)cc5)cc4)c(C)cn23)n(C)c1=O,ZWNMMPKTEIHUMZ-UHFFFAOYSA-N
-rxn:4:221267:224018,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)n(C)c1=O,UJQSIWDTZAKOMC-UHFFFAOYSA-N
-rxn:4:221411:223945,Cn1nc(C2CCN(C(=O)c3cncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c3)CC2)n(C2CC2)c1=O,XKDBKHFGRUTSCV-UHFFFAOYSA-N
-rxn:4:221423:222844,O=C(Nc1cccc(-c2ccccc2CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1)C1CCCC1,XHLJUVLFLUJAAO-UHFFFAOYSA-N
-rxn:4:221432:222695,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(-c4ccc(C)c(S(=O)(=O)NC5CCCC5)c4)c3)CC2)n1,AVZYXNQZVVPJID-UHFFFAOYSA-N
-rxn:4:221439:223666,O=C(c1cc(-c2cccc(COc3ccc(OC(F)(F)F)cc3)c2)ccc1Cl)N1CCN(c2ccc(N3CCCCC3)nn2)CC1,VPGAMUHUFDEFMW-UHFFFAOYSA-N
-rxn:4:221440:223224,CCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCC5)n4)CC3)cc2)cc1,BZCLHUBBSFKDDV-UHFFFAOYSA-N
-rxn:4:221451:226294,COc1cc(OC(C)C)ccc1-c1ccccc1C(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,NSWVAMPKRMCADK-UHFFFAOYSA-N
-rxn:4:221456:222965,CCCC(=O)NCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCCCC5)n4)CC3)cc2)cc1,YZEGPBHSSPQFOD-UHFFFAOYSA-N
-rxn:4:221498:224664,CN1CCN(Cc2cc(F)cc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)c2)CC1,ZOKSUPBPJSKDEG-UHFFFAOYSA-N
-rxn:4:221538:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc(Cn2c(CN3CCCCC3C)nc3c2c(=O)n(C)c(=O)n3C)cc1,NEKWMWPZMHZZKC-UHFFFAOYSA-N
-rxn:4:221726:222872,COc1cc(C(=O)NC2CC2)ccc1-c1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1,PZVFHQJBYIYXEX-UHFFFAOYSA-N
-rxn:4:221736:223594,Cc1nc2c(c(N3CC4CN(C(=O)c5cncc(-c6cc(Cl)cc(N7CCN(C(=O)OC(C)(C)C)CC7)c6)c5)CC4C3)n1)CCC2,OELCJHUPJLUZQD-UHFFFAOYSA-N
-rxn:4:221736:223960,CCN1CCN(C(=O)c2cc(-c3cncc(C(=O)N4CC5CN(c6nc(C)nc7c6CCC7)CC5C4)c3)ccc2F)CC1,ZJMNGWYTTVZXSE-UHFFFAOYSA-N
-rxn:4:221792:225234,CC1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(-c5ccc(N6CCCCC6)c(F)c5F)cc4)c(=O)n3C)n2C1,KQSHHCDUIVIGNY-UHFFFAOYSA-N
-rxn:4:221836:225294,CCN1CCN(c2ncc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cn2)CC1,SUUKKAPYQIJSPP-UHFFFAOYSA-N
-rxn:4:221914:222951,CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(-c4cnc(NC(C)=O)cc4C(F)(F)F)cc3)n2)CC1,BWUIXOMEJVOYFI-UHFFFAOYSA-N
-rxn:4:221947:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCN(Cc5nnnn5-c5ccc(F)cc5)CC4)o3)cc2)CC1,SNSYGECQMDHCOY-UHFFFAOYSA-N
-rxn:4:221960:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C7CC7)no6)nn5)CC4)c3)cc2)CC1,MJNAFMSGEXEBTP-UHFFFAOYSA-N
-rxn:4:221965:227983,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5[Si](C)(C)C)cc4)CC3)nn2)CC1,TYISAUZJISRVOW-UHFFFAOYSA-N
-rxn:4:221995:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc1,SMKBPNREVQOHMA-UHFFFAOYSA-N
-rxn:4:222001:222511,CSc1ncc(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)c(N(C)C2CN(c3cnccn3)C2)n1,OPEDXTAIQCAWNA-UHFFFAOYSA-N
-rxn:4:222047:222619,Cc1ccc(N2CCN(C(=O)c3cc(-n4cnnn4)ccc3-c3ccc(CNC(=O)C4CCCCC4)cc3)CC2)c(C)c1,OPOQVEKWCBHRBH-UHFFFAOYSA-N
-rxn:4:222062:223239,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,ZRRZHLSILRTFBB-UHFFFAOYSA-N
-rxn:4:222062:223281,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C5(O)COC5)nc4)cc3)CC2)n1,DGICBPSCBOQQPW-UHFFFAOYSA-N
-rxn:4:222062:223294,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4csc(N5CCNCC5)n4)cc3)CC2)n1,QMCOUFGCHMDBBZ-UHFFFAOYSA-N
-rxn:4:222062:223382,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(NC5CC5)nc4)cc3)CC2)n1,SYODARXXLJGFCQ-UHFFFAOYSA-N
-rxn:4:222062:227318,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(CC(C)C)c(Cl)c4)cc3)CC2)n1,GAIRHPLNGYSITN-UHFFFAOYSA-N
-rxn:4:222062:228200,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnn4C4CCCC4)cc3)CC2)n1,USXQGXOFLWVEHO-UHFFFAOYSA-N
-rxn:4:222062:228201,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)nc4)cc3)CC2)n1,MXOKHHXNMPCUHM-UHFFFAOYSA-N
-rxn:4:222062:228347,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCC5)nc4)cc3)CC2)n1,QCTCYYOHKBUHDF-UHFFFAOYSA-N
-rxn:4:222062:228701,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)nc4)cc3)CC2)n1,KWVLILIEKVZNOB-UHFFFAOYSA-N
-rxn:4:222062:228703,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnn(C5CCC5)c4)cc3)CC2)n1,VQHJLEBMYXRWRP-UHFFFAOYSA-N
-rxn:4:222062:228712,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnn4C4CCC4)cc3)CC2)n1,JCPVGDHJIPGLGB-UHFFFAOYSA-N
-rxn:4:222062:229064,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccnn4C4CC4)cc3)CC2)n1,ACFBKFCMEZYDKX-UHFFFAOYSA-N
-rxn:4:222062:229080,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)s4)cc3)CC2)n1,YWXNDJGBKCYROL-UHFFFAOYSA-N
-rxn:4:222062:229085,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4scnc4C4CC4)cc3)CC2)n1,LYWDWUXSFAAYPJ-UHFFFAOYSA-N
-rxn:4:222108:225939,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(C(F)(F)F)c(C(C)C)c6)cc5)no4)C3C2=O)cc1F,ZGJKMXJAVKXSOS-UHFFFAOYSA-N
-rxn:4:222132:223755,COc1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,VOARBQQKQMZOGK-UHFFFAOYSA-N
-rxn:4:222156:224022,Fc1c(C2CC2)ncnc1N1CCN(c2ncc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cn2)CC1,OQJWWSWMITVLSK-UHFFFAOYSA-N
-rxn:4:222160:223954,Cc1cnc(N(C)C2CCCN(c3ncc(-c4ccc(OCCN5CCC(=O)CC5)c(F)c4)cn3)C2)nc1,RANWPOQOUBSUKV-UHFFFAOYSA-N
-rxn:4:222162:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCN(c5cc(C6CCC6)ncn5)CC4)nc3)c2)CC1,LVWZPPBMJSKFKP-UHFFFAOYSA-N
-rxn:4:222162:224408,CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1-c1cnc(N2CCN(c3cc(C4CCC4)ncn3)CC2)nc1,WGCUBWULUSXOEH-UHFFFAOYSA-N
-rxn:4:222192:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)nc1,XJEZIKALPUYSFH-UHFFFAOYSA-N
-rxn:4:222194:224194,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(c5nc(C(C)(C)C)nc6c5CCC6)CC4)nc3)cc2Cl)CC1,FQUROORPPQVIPT-UHFFFAOYSA-N
-rxn:4:222195:222436,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cccc(C(=O)Nc4cccc(OC(F)(F)F)c4)c3)c2)CC1,YCVNNPCDKSIJES-UHFFFAOYSA-N
-rxn:4:222273:224768,CN(C(=O)c1cncc(-c2cc(F)c(C(=O)N3CCCC3)c(F)c2)c1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1,FPCQOMQZJZHRLP-UHFFFAOYSA-N
-rxn:4:222280:223539,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(-c6ccc(OC)c(S(=O)(=O)N7CCC8(CC7)OCCO8)c6)c5)CC4)ncnc32)cc1,VUKFXKTWFQQVRJ-UHFFFAOYSA-N
-rxn:4:222332:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)cc2)C1,BILWBZNNQPMZQA-UHFFFAOYSA-N
-rxn:4:222335:225210,Cc1cc(N2CCN(c3ncc(-c4cnc(N5CCC(C)CC5)nc4C)cn3)CC2)nc(N2CCCC2)n1,UGYWJIAHEYZPID-UHFFFAOYSA-N
-rxn:4:222360:223959,CCN1CCN(C(=O)c2cc(-c3cnc(N4CCN(c5ncnc6c5ncn6CCOC)CC4)nc3)ccc2Cl)CC1,YAMMZPLJCBTFSD-UHFFFAOYSA-N
-rxn:4:222389:199539,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,CLJRNSUGAQBFMD-UHFFFAOYSA-N
-rxn:4:222389:219985,CCc1cnc(N2CCN(c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)CC2)nc1,WXLMGJURWHTCKO-UHFFFAOYSA-N
-rxn:4:222513:215143,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCn2nc(C3CC3)cc2C1,FKIWSBQFWBISKZ-UHFFFAOYSA-N
-rxn:4:222520:175157,COC(=O)C(C(C)=O)c1ccccc1-c1ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c1,AKPJOJXSUVQEQU-UHFFFAOYSA-N
-rxn:4:222523:185168,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(CN(C(=O)c3ccco3)C3CCS(=O)(=O)C3)c2)c(C(F)(F)F)c1,YHAOQLJGXPTNMR-UHFFFAOYSA-N
-rxn:4:222523:185733,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(C#N)C(=O)C(F)(F)F)cc2)c(C(F)(F)F)c1,GSYUCVANIMEBLT-UHFFFAOYSA-N
-rxn:4:222602:175797,COC(=O)c1ccc(-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)cc1-c1ccc(C(F)(F)F)cc1,FSGCKIOPWLNQLL-UHFFFAOYSA-N
-rxn:4:222613:175523,CCCNS(=O)(=O)c1ccc(-c2cc(OCC(=O)C(C)(C)C)ccc2F)c(C(F)(F)F)c1,QYWXDTPHHMXDCX-UHFFFAOYSA-N
-rxn:4:222821:174480,CC(C)(C)NS(=O)(=O)c1cc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccccc3C(F)(F)F)c2)ccc1F,FFMJRJWDJJQIHT-UHFFFAOYSA-N
-rxn:4:222821:175377,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(C(C)(OS(C)(=O)=O)C(F)(F)F)cc2)ccc1F,SEOQISLBXZXOLP-UHFFFAOYSA-N
-rxn:4:222821:189505,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)ccc1F,CHTKBBJRGJOYKE-UHFFFAOYSA-N
-rxn:4:222881:178585,CC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)C(O[Si](C)(C)C(C)(C)C)CCO3)c(F)c1,CUFIAUQHSBSBPH-UHFFFAOYSA-N
-rxn:4:222910:185044,CCCNS(=O)(=O)c1ccc(-c2cc(Cl)cc(OC3CN(C(=O)OC(C)(C)C)C3)c2)c(C)c1,MFDJBAZFJNDEKM-UHFFFAOYSA-N
-rxn:4:222910:186907,CCCNS(=O)(=O)c1ccc(-c2cc(/C=N/S(=O)C(C)(C)C)ccc2C(F)(F)F)c(C)c1,MTUWWTLMOAPOIT-VULFUBBASA-N
-rxn:4:222910:187438,CCCNS(=O)(=O)c1ccc(-c2cc(C)cc(C3CN(C(=O)OC(C)(C)C)C3)c2)c(C)c1,AEKRVUAETUJMBZ-UHFFFAOYSA-N
-rxn:4:223080:185310,CC(C)NS(=O)(=O)c1ccc(-c2ccc(SC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,BBTKWHDSKFYBKS-UHFFFAOYSA-N
-rxn:4:223481:196449,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)c(-c4ccc(F)cc4)cn3)c(F)c2)CC1,SKWQEZSJJGJZLQ-UHFFFAOYSA-N
-rxn:4:223521:186088,CCC(=O)C(C#N)c1ccc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,VWUVDTJPPSGAKM-UHFFFAOYSA-N
-rxn:4:223570:176165,Cc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)c1,YNEJZVNRUFHHMB-UHFFFAOYSA-N
-rxn:4:223810:206901,Cc1cc(-c2ccc(CN3CCCN(C)CC3)o2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,KTAWILACDLZTKR-UHFFFAOYSA-N
-rxn:4:223900:186980,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2cc(OC(F)F)cc(C(=O)N3CCCCC3)c2)cc1F,OICCQRQEBSCHBP-UHFFFAOYSA-N
-rxn:4:223900:187531,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2ccc(C(=O)c3ccccc3CN3CCSCC3)cc2F)cc1F,ARHYMBMIQUZRNK-UHFFFAOYSA-N
-rxn:5:176872:222982:225598,COC(=O)c1cc(OC)c(-c2ccc(CN3CC[C@@H](O)C3)cc2)c(-c2cccc(CN3CCSCC3)c2)c1,OJUYCGVYVJOIIJ-HHHXNRCGSA-N
-rxn:5:177182:223061:222994,CCOC(=O)c1cc(C)cc(-c2cccc(N3CCC(O)CC3)c2)c1-c1cc(C2CCNCC2)ncc1F,OCZZABZVYOGDED-UHFFFAOYSA-N
-rxn:5:177185:226662:223064,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1-c1ccc(C2CCNCC2)nc1F,XFFXTRSKVPGGGC-UHFFFAOYSA-N
-rxn:5:177186:225631:223063,CCOC(=O)c1cc(-c2cc(F)nc(C3CCNCC3)c2)c(-c2ccc(N3CCN(C)CC3)cc2)cc1C,GPSHZWMSOSOSPD-UHFFFAOYSA-N
-rxn:5:177190:225805:223056,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,ACRRIPXBPAEVSW-UHFFFAOYSA-N
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-rxn:5:177190:225805:226729,CCS(=O)(=O)Cc1ccc(-c2cnc(OC3CCOC3)nc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,WVQVQHAUQHDROJ-UHFFFAOYSA-N
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-rxn:5:178314:226064:226432,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCC3)cc2)ccc1-c1ccc(C2CCCC2)nc1F,CJLUJUFCNLITQO-UHFFFAOYSA-N
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-rxn:5:178467:226366:227387,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCC4)c3)cc(-c3ccnc(N4CCCCC4)c3)c2OC1,VKMSKFPHOVJGHR-UHFFFAOYSA-N
-rxn:5:178467:226643:227702,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)cnc3F)cc(-c3ccc(N4CCOCC4)nc3)c2OC1,AWCRVNHICYYNNC-UHFFFAOYSA-N
-rxn:5:178467:226661:223252,CCOC(=O)C1=Cc2cc(-c3cc(F)c4c(c3)NCCO4)cc(-c3cc(N4CCN(C)CC4)cs3)c2OC1,BRFUDWXKBSIKJN-UHFFFAOYSA-N
-rxn:5:178467:226662:228653,CCOC(=O)C1=Cc2cc(-c3cnn4c3CCCC4)cc(-c3ccc(N4CCN(C)CC4)s3)c2OC1,FEADRMWYEGNJOQ-UHFFFAOYSA-N
-rxn:5:178467:227387:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccnc(N4CCCC4)c3)c2OC1,IHCHWYABTSUWRR-UHFFFAOYSA-N
-rxn:5:178467:227968:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnccc3C3CCC3)c2OC1,RGKJGHGYSYHODO-UHFFFAOYSA-N
-rxn:5:179629:226424:226583,COc1ccc(-c2cc(N3CCCC(C)C3)cs2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,BALQXNCXYNESDH-UHFFFAOYSA-N
-rxn:5:179629:226427:226583,COc1ccc(-c2cc(N3CCC(C)CC3)cs2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,XEPRBGLAJGWTEN-UHFFFAOYSA-N
-rxn:5:179629:226583:226425,COc1ccc(-c2ccc(CN3CCOCC3)s2)c(S(C)(=O)=O)c1-c1ccc(N2CCCCC2C)s1,IHTZLQXQUYNLKG-UHFFFAOYSA-N
-rxn:5:179839:225657:222990,COc1c(C(C)=O)cc(-c2ccc(N3CCC(O)CC3)cc2)c(C)c1-c1ccc(N2CCOCC2)c(C)c1,ICYSJXFTRHKQJA-UHFFFAOYSA-N
-rxn:5:180021:225636:227803,COc1c(-c2ccnc(N3CCC(C)CC3)c2)cc(C2OCCO2)cc1-c1ccnn1S(=O)(=O)N(C)C,ALCJAWBQQQVRQF-UHFFFAOYSA-N
-rxn:5:180021:226330:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)cc(C2OCCO2)cc1-c1ccc(C(C)N2CCCC2)s1,MTHLEYQSBBDKSN-UHFFFAOYSA-N
-rxn:5:180267:225394:225924,CSc1cc(C(C)(C)C)cc(-c2cc(C3CCC3)cc(C3CC3)c2)c1-c1ccc(S(=O)(=O)N(C)C)cc1C,AOVMVLLNYWPBPH-UHFFFAOYSA-N
-rxn:5:180402:225395:227045,CC(C)(C)Sc1cccc(-c2cc(-c3cc(C4CC4)cc(C(C)(C)C)c3)ccc2C(=O)C2CCCCC2)c1,IPFGRHLOBCTVAG-UHFFFAOYSA-N
-rxn:5:180402:225602:227045,CC(C)(C)Sc1cccc(-c2cc(-c3cc(C4(C#N)CCC4)ccc3F)ccc2C(=O)C2CCCCC2)c1,JLGOXZZNKLANJN-UHFFFAOYSA-N
-rxn:5:180421:226174:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1ccc(C2CCCCC2)nc1,XCLURDACWWVRIW-UHFFFAOYSA-N
-rxn:5:180421:226645:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1ccnc(N2CCOCC2)c1,CRRIILDLYKOAFT-UHFFFAOYSA-N
-rxn:5:180662:223000:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3ccc(C4CCCNC4)c(F)c3)c2OC1,VMWGJEPVYYXKLL-UHFFFAOYSA-N
-rxn:5:180662:223294:226320,COC(=O)C1=Cc2cc(-c3cc(C4(C#N)CC4)ccc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,ZCUIKMRQJYZMLH-UHFFFAOYSA-N
-rxn:5:180662:225636:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3ccnc(N4CCC(C)CC4)c3)c2OC1,GVKWECVKCDEZTQ-UHFFFAOYSA-N
-rxn:5:181628:225880:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(C3CCOCC3)ncc2F)cc1C1OCCO1,MRMXNAUDISWDHU-UHFFFAOYSA-N
-rxn:5:181907:225640:225407,Cc1cc(-c2ccnc(N3CCCCC3C)c2)c(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1,YESAFQIIQGEEDM-UHFFFAOYSA-N
-rxn:5:182011:225986:226662,CN1CCN(c2ccc(-c3cc(C4CCOCC4)ccc3-c3ccccc3N3CCCS3(=O)=O)s2)CC1,HQEHNUXLVDVNIT-UHFFFAOYSA-N
-rxn:5:182011:226662:225986,CN1CCN(c2ccc(-c3ccc(C4CCOCC4)cc3-c3ccccc3N3CCCS3(=O)=O)s2)CC1,SIMDPHYICIDDQP-UHFFFAOYSA-N
-rxn:5:182012:225884:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3COCCO3)c(F)c2)cc1C1CCCOC1,WFXOCRBJCCKXOV-UHFFFAOYSA-N
-rxn:5:182012:226686:226429,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCCC(C)C3)s2)c(C2CCCOC2)c1,XOPLHDGXEGSKSO-UHFFFAOYSA-N
-rxn:5:183229:225811:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3ccc(C4(C(F)(F)F)CC4)cc3)cc3c2SCCC3(C)C)c1,XUVXSOYDMFUUCF-UHFFFAOYSA-N
-rxn:5:183229:225924:225816,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2cc(C3CC3)ccc2C(F)(F)F)c2c(c1)C(C)(C)CCS2,ISPVCXBRLIUCJR-UHFFFAOYSA-N
-rxn:5:188930:223135:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1cccnc1C1CCCNC1,STOQBUFSFPPWDW-UHFFFAOYSA-N
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-rxn:5:189083:225831:225976,CCN(C)C(=O)c1cccc(-c2cnc(N3CCOCC3)c(C)c2)c1-c1ccnc(N2CCOCC2)c1F,BKQJAPKTPHZDQF-UHFFFAOYSA-N
-rxn:5:189209:223142:225509,Cn1nc(C2CC2)c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccc(C5CCCNC5)nc4)c3)cc21,BCTOMGJOEDBCMG-UHFFFAOYSA-N
-rxn:5:189210:227063:226927,Cc1ccc(-c2cccc(-c3c(C)c(C)c(C)c(C)c3C)c2C(=O)ON2C(=O)CCC2=O)c(OC(C)C)c1,WHMHVIMUFSSCNV-UHFFFAOYSA-N
-rxn:5:189321:223054:226679,CC(c1ccc(-c2ccc(-c3cnc(N4CCCC4)cc3F)c(C(=O)OC(C)(C)C)n2)s1)N1CCC(O)C1,IWGZSRWNBIUSMX-UHFFFAOYSA-N
-rxn:5:189662:225671:225577,N#Cc1cc(N2CCCC2)ccc1-c1ncc(-c2cc(C3CCCCC3)ncc2F)cc1OCC1CCOCC1,JHWMWEIXVXCUIQ-UHFFFAOYSA-N
-rxn:5:189670:226862:226415,CC(C)(C)S(=O)/N=C/c1cc(-c2cccc(OC(F)(F)F)c2F)ccc1-c1ccccc1N1CCOCC1,ZVTLHYGBWBGPFH-DPNNOFEESA-N
-rxn:5:189672:226085:225927,CN(C)c1ccc(C(F)(F)F)cc1-c1c(/C=N/S(=O)C(C)(C)C)cccc1-c1ccc2c(c1)CCC(C)(C)O2,ULLPWRSKBAUJHZ-XZYGTATASA-N
-rxn:5:189718:225622:226644,O=[N+]([O-])c1cc(-c2cncc(N3CCOCC3)c2)c(-c2ccccc2OC2CCCCO2)cc1OC1CCOCC1,OYTPRWOGVGUILF-UHFFFAOYSA-N
-rxn:5:189908:226740:223173,N#Cc1c(-c2cnc(-c3ccc4c(c3)C(O)CS4(=O)=O)c(OCC3CCCCC3)c2)cccc1C(F)(F)F,KFTAFYVMYLNNFZ-UHFFFAOYSA-N
-rxn:5:189908:227506:223004,O=[N+]([O-])/C=C/c1cccc(-c2cnc(-c3ccc(C4CCNCC4)c(F)c3)c(OCC3CCCCC3)c2)c1,XEDFSKXSDDPRCB-DTQAZKPQSA-N
-rxn:5:189908:227507:223004,O=[N+]([O-])C=Cc1cccc(-c2cnc(-c3ccc(C4CCNCC4)c(F)c3)c(OCC3CCCCC3)c2)c1,XEDFSKXSDDPRCB-UHFFFAOYSA-N
-rxn:5:190000:226148:227717,C[Si](C)(C)C#Cc1cccc(-c2cc(-c3ccc(F)cc3OC(F)F)ccc2CC(=O)N2CCCCC2)c1,KTZZQRPIGYSZHV-UHFFFAOYSA-N
-rxn:5:190000:226322:227052,Cc1cc(C(=O)N(C)C)ccc1-c1cc(-c2ccc(SC(C)(C)C)cc2)ccc1CC(=O)N1CCCCC1,QXHNVDVDLWYJKF-UHFFFAOYSA-N
-rxn:5:190001:225451:227019,CC(C)(C#N)c1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(SC3CCCCC3)cc2)c1,UWGMKSBDWCPYOS-UHFFFAOYSA-N
-rxn:5:190001:227045:226130,CC(C)(C)Sc1cccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(CN3CCCC3)cc2)c1,JBAHLOHZIAINHT-UHFFFAOYSA-N
-rxn:5:190128:227052:226913,CCc1cc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(SC(C)(C)C)cc2)cc(C2CC2)c1,BZXKMLOXHGJMTO-UHFFFAOYSA-N
-rxn:5:190132:226067:227917,CCc1ccc(OC)c(-c2cc(-c3ccc(C4=CCCCC4)cc3)ccc2C(=O)N2CCC(OC)CC2)c1,DHQNCUFNQJANRC-UHFFFAOYSA-N
-rxn:5:190132:226429:228165,CCOc1ccc(F)c(-c2cc(-c3ccc(N4CCCC(C)C4)s3)ccc2C(=O)N2CCC(OC)CC2)c1,WOXOJUXXXCLBMW-UHFFFAOYSA-N
-rxn:5:190195:223061:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1cc(C2CCNCC2)ncc1F,DSXLKMVWTPTXNZ-UHFFFAOYSA-N
-rxn:5:190195:226644:227376,CN(Cc1ccc(-c2cncc(N3CCOCC3)c2)c(-c2cncc(N3CCCC3)c2)c1)C1CCOCC1,FIKOIKCEPZIYCD-UHFFFAOYSA-N
-rxn:5:190196:223113:226588,CN(Cc1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1cc(OC2CCC2)ncc1F)C1CCOCC1,GNGYNWUZUDDCRH-UHFFFAOYSA-N
-rxn:5:190197:223056:222958,Cc1ccc(-c2ccc(CN(C)C3CCOCC3)c(-c3ccc(N4CCC(O)CC4)nc3)c2)cc1C1CCNCC1,CQVDEQSVTWRBME-UHFFFAOYSA-N
-rxn:5:190200:225936:227833,CCc1cc(C)cc(C)c1-c1cc(CN(C)C2CCOCC2)cc(-c2cc(C(F)(F)F)cnc2C(C)C)c1,YSJLKBZGKVSCLO-UHFFFAOYSA-N
-rxn:5:190201:226664:227501,CC1CN(CCc2cc(-c3cc(N4CCCC4)ncc3F)ccc2-c2ccc(C=C[N+](=O)[O-])cc2)CCO1,ZIMWZIZJRISKRB-UHFFFAOYSA-N
-rxn:5:190264:225886:225498,CC1CCN(C(=O)Cc2ccc(-c3cc(C4CCCCC4)ccc3F)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)CC1,PJOQHPHFRWOYAT-UHFFFAOYSA-N
-rxn:5:190265:225603:225886,CC1CCCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3cccc(C4(C#N)CCC4)c3F)c2)C1,NISYQKZEEANBTH-UHFFFAOYSA-N
-rxn:5:190265:226901:225507,COC(=O)C1CCc2cc(-c3ccc(CC(=O)N4CCCC(C)C4)cc3-c3cccc(S(F)(F)(F)(F)F)c3)ccc21,KDQQCXSTBIIFPM-UHFFFAOYSA-N
-rxn:5:190308:226345:226147,COC(=O)c1cc(-c2ccc(-c3c(C)cc(OC(C)C)cc3C)c(CCN3CCCC(C)C3)c2)c(C)cc1C,BRZQKKHIBVVRAE-UHFFFAOYSA-N
-rxn:5:190335:226174:228435,COc1c(-c2ccc(C3CCCCC3)nc2)cc(C(=O)N2CCCCC2C)cc1-c1c(SC)ccc(F)c1F,XKBSBOCFJRLKSQ-UHFFFAOYSA-N
-rxn:5:190336:228567:227102,CCC(C)c1sccc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2cc(C(C)(C)C)ccc2F)c1OC,AWJKEVCYYNNPSJ-UHFFFAOYSA-N
-rxn:5:190484:223010:227460,Cn1cnc2cc(-c3ccccc3C3CCN(C(=O)c4cccc(-c5ccc(C6(O)CCOCC6)cc5)c4)CCS3(=O)=O)c(F)cc21,KEUMORZZULNMGE-UHFFFAOYSA-N
-rxn:5:190484:223054:223312,CC(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CNC5)cc4)S(=O)(=O)CC3)c2)s1)N1CCC(O)C1,BJQBWOWNCVQLTC-UHFFFAOYSA-N
-rxn:5:190484:223139:227505,O=C(c1cccc(-c2ccc(C3CCNCC3)nc2)c1)N1CCC(c2ccccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)S(=O)(=O)CC1,RMKYXYXYHUHLCD-LTGZKZEYSA-N
-rxn:5:190484:227971:226325,CC(C)(C)c1ccncc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(C)(C)C#N)cc3F)S(=O)(=O)CC2)c1,HCXRIIAGHYMSRR-UHFFFAOYSA-N
-rxn:5:190484:228965:222958,Cc1ccc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4ccc([N+](=O)[O-])nc4)c3)CCS2(=O)=O)cc1C1CCNCC1,WXYOLCHZHLRZIS-UHFFFAOYSA-N
-rxn:5:190740:225605:225806,CCOC(=O)c1cnc2c(C)cc(-c3cc(C)cnc3OC3CCCC3)cc2c1-c1cnc(OC2CCCC2)cc1F,YFYLDNHLQVTKAK-UHFFFAOYSA-N
-rxn:5:190741:225634:225976,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)c(C)c3)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,BOHQDXGUDDMMEP-UHFFFAOYSA-N
-rxn:5:190741:225831:225833,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)c(C)c3)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,QHJALLUIDWWYTF-UHFFFAOYSA-N
-rxn:5:190741:225976:225831,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cnc(N2CCOCC2)c(C)c1,AQBPELSKAMBDRK-UHFFFAOYSA-N
-rxn:5:190742:223062:223061,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1cc(C2CCNCC2)ncc1F,OMLWAMDLAWIQAV-UHFFFAOYSA-N
-rxn:5:190742:225784:223006,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(F)c(C2CCNCC2)c1,QEJSXHRKVLUSDL-UHFFFAOYSA-N
-rxn:5:190742:225833:225976,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1ccnc(N2CCOCC2)c1F,AALBZSYHWZGAIR-UHFFFAOYSA-N
-rxn:5:190742:225978:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(CN2CCOCC2)nc1,JROKZRUEUAVXIV-UHFFFAOYSA-N
-rxn:5:190742:225980:223056,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1ccc(N2CCC(O)CC2)nc1,JKTMMRFIZDDXQZ-UHFFFAOYSA-N
-rxn:5:190742:225982:225982,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cnc(N2CCOCC2)cc1F,LZZYAGOQVIGIRN-UHFFFAOYSA-N
-rxn:5:190742:226571:223062,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1cnc(C2CCNCC2)cc1F,XNLGXKVYQQLWIZ-UHFFFAOYSA-N
-rxn:5:190743:225605:225806,CCOC(=O)c1cnc2c(C)c(-c3cc(C)cnc3OC3CCCC3)ccc2c1-c1cnc(OC2CCCC2)cc1F,YAZJHTASZZRHSI-UHFFFAOYSA-N
-rxn:5:190744:223056:225976,CCOC(=O)c1cnc2c(-c3ccc(N4CCC(O)CC4)nc3)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,IZRBHOJDTLRMMJ-UHFFFAOYSA-N
-rxn:5:190744:225439:223062,CCOC(=O)c1cnc2c(-c3cccc(C(C)N4CCCC4)c3)c(C)ccc2c1-c1cnc(C2CCNCC2)cc1F,DXDCPVOWBBWWNP-UHFFFAOYSA-N
-rxn:5:190744:225634:225976,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)c(C)c3)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,BIGFXLMXPMCNRL-UHFFFAOYSA-N
-rxn:5:190744:225831:225833,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)c(C)c3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,GKNUZVBUQUNKOU-UHFFFAOYSA-N
-rxn:5:190744:225976:225982,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,PSIWPJVFXQQYGS-UHFFFAOYSA-N
-rxn:5:190744:225980:225976,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,RIQPMWUGKLZCGW-UHFFFAOYSA-N
-rxn:5:190796:225451:226146,CC(C)(C)OC(=O)n1cc(-c2ccc(SC3CCCCC3)cc2)c2c(-c3ccc(SC4CCCC4)cc3)cccc21,MKYNTSRNBRDMJI-UHFFFAOYSA-N
-rxn:5:190797:225498:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc(-c2cc(C3CCCCC3)ccc2F)cc2c1ccn2C(=O)OC(C)(C)C,HXNJMNHJDSWRQZ-UHFFFAOYSA-N
-rxn:5:190798:225925:226762,CSc1cc(-c2ccc3c(c2)c(-c2cc(S(=O)(=O)N(C)C)ccc2C)cn3C(=O)OC(C)(C)C)cc(C(F)(F)F)c1,ALDDFJXSWIAJFK-UHFFFAOYSA-N
-rxn:5:190832:225655:226664,CCOC(=O)c1cnc2cc(C)c(-c3cncc(N4CCC(C)CC4)c3)c(C)c2c1-c1cc(N2CCCC2)ncc1F,RBOLSHCKEFEMTG-UHFFFAOYSA-N
-rxn:5:190832:226794:225849,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCSCC4)nc3)c(C)c2c1-c1cnc(N2CCCCC2)cc1F,MRHXAWWPGFBKGH-UHFFFAOYSA-N
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-rxn:5:193967:228275:226971,COc1c(F)cc(C)cc1-c1ccc(CN2CCC3(CC2)OCCO3)c(-c2ccc3c(c2)CCCOC3)c1,UCEJTGXOWVRZTF-UHFFFAOYSA-N
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-rxn:5:194058:225607:222987,Cc1nc(C2CCNCC2)ccc1-c1cc2[nH]cc(OS(=O)(=O)[O-])c2cc1-c1ccc(C(C)N2CCCCC2)s1,KXPQURFTUQUEPD-UHFFFAOYSA-M
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-rxn:5:194058:225832:226429,Cc1nn(C2CCCCO2)c(C)c1-c1cc2c(OS(=O)(=O)[O-])c[nH]c2cc1-c1ccc(N2CCCC(C)C2)s1,FIBMHXXFVJZYHT-UHFFFAOYSA-M
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-rxn:5:194733:228991:226576,CCCc1sccc1-c1ccc(-c2ccc(F)c(C(=O)N(C)C)c2)c(C(=O)N2C3CCC2CC(=C2CC2)C3)c1,YRFLWUFIYSIADV-UHFFFAOYSA-N
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-rxn:5:194791:227184:226320,N#CC1(c2ccc(F)c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccccc6-c6cnc7ccccc7c6F)C(=O)C45)cc3)c2)CC1,VKOZGNOHGSGMAS-UHFFFAOYSA-N
-rxn:5:194791:229051:226760,CCCn1cc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5cc(F)c(F)c(C(=O)OC)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cn1,RIDGIEULQKISOI-UHFFFAOYSA-N
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-rxn:5:194792:228802:228573,Cc1cc(C#N)ccc1-c1ccc(N2C(=O)C3C(c4ccc(-c5ccccc5C(F)F)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,PZOCXJMONANXRX-UHFFFAOYSA-N
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-rxn:5:196791:226177:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(-c2ccnc(C3CCCCC3)c2)cccc1N1CCOCC1=O,ZQLUDYSBYMGFME-UHFFFAOYSA-N
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-rxn:5:196859:226898:223064,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(C2CCOCC2)ccnc1-c1ccc(C2CCNCC2)nc1F,QRLIHTKTGVAXIK-UHFFFAOYSA-N
-rxn:5:196870:225577:222404,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2ccc(C3NC(=O)NC3=O)cc2)cc(N2CCOCC2)c1,JMQCIWKVLWLVDR-UHFFFAOYSA-N
-rxn:5:196977:223148:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(N2CCCCC2)ccc1-c1ccccc1C1CNCCO1,XCBUGNNIVKTIIC-UHFFFAOYSA-N
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-rxn:5:197876:225441:227045,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cc(C4CC4)cnc2C(C)(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AMPICBHEHSXAGJ-UHFFFAOYSA-N
-rxn:5:197876:225464:227052,CC1CCCN(c2cccc(-c3cc4c(cc3-c3ccc(SC(C)(C)C)cc3)C(=O)N(C(C)(C)C)S4(=O)=O)c2)C1,DJLGDTLLTKYOSM-UHFFFAOYSA-N
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-rxn:5:197876:225498:228117,CC(C)Oc1cncc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DTJQRSPWQHRBAA-UHFFFAOYSA-N
-rxn:5:197876:225498:229056,CC(C)n1nccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,HDRIHLATZAJSEV-UHFFFAOYSA-N
-rxn:5:197876:225499:228582,CC(C)c1ccncc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YOASXJFSMBJNBT-UHFFFAOYSA-N
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-rxn:5:197876:225515:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cccc4c2OCC(C)(C)CO4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VYXPPHKPLFYKMJ-UHFFFAOYSA-N
-rxn:5:197876:225591:226334,Cc1cc(C(=O)N(C)C)cc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JMFMHCHBCHVKSI-UHFFFAOYSA-N
-rxn:5:197876:225602:226709,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VORXUIQQSHSXMM-UHFFFAOYSA-N
-rxn:5:197876:225602:228142,CCCc1cc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,JSWHEULZOPBJGW-UHFFFAOYSA-N
-rxn:5:197876:225671:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QJZJNHYQWURFBP-UHFFFAOYSA-N
-rxn:5:197876:225822:227808,CC(C)(C)N1C(=O)c2cc(-c3ccc4c(c3)CCCC4)c(-c3cccc(C(F)(F)F)c3C3CC3)cc2S1(=O)=O,WRGZVCXJRPWTHW-UHFFFAOYSA-N
-rxn:5:197876:225834:228512,CC#Cc1cccc(-c2cc3c(cc2-c2cc(N4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GYFJDDHADAVBNT-UHFFFAOYSA-N
-rxn:5:197876:225886:225814,CC(C)(C)N1C(=O)c2cc(-c3cccc(C4(C(F)(F)F)CC4)c3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)cc2S1(=O)=O,IBEMFONHSMMFIC-UHFFFAOYSA-N
-rxn:5:197876:225927:228009,CN(C)c1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C3CC3)c(F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,MJECKMNXNREDCV-UHFFFAOYSA-N
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-rxn:5:197876:226059:228182,CC(C)c1ccc(-c2cc3c(cc2-c2cccc(CC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(C)C)c1,FHBJRHYYPZWUFT-UHFFFAOYSA-N
-rxn:5:197876:226061:227823,CC(C)c1cc(-c2cc3c(cc2-c2ccccc2C(C)(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,TVUCIQBDJJZYRT-UHFFFAOYSA-N
-rxn:5:197876:226067:227940,CCc1cc(SC)cc(-c2cc3c(cc2-c2ccc(C4=CCCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UPLDZSAABXNUNH-UHFFFAOYSA-N
-rxn:5:197876:226068:228970,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(C(F)(F)F)s1)C(=O)N(C(C)(C)C)S2(=O)=O,KORZMBYNKMCLNK-UHFFFAOYSA-N
-rxn:5:197876:226084:226611,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc3c(c1)C(=O)CCCC3)S(=O)(=O)N(C(C)(C)C)C2=O,FNBZOALDANAXGR-UHFFFAOYSA-N
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-rxn:5:197876:226190:228562,CCC(C)c1csc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AKFRVAGZOQBWMF-UHFFFAOYSA-N
-rxn:5:197876:226191:227053,CC(C)(C)Oc1cccc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ATXLQLZVIGBZCQ-UHFFFAOYSA-N
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-rxn:5:197876:226191:228566,CC(C)Cc1sccc1-c1cc2c(cc1-c1cc(C3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PQYPFXMTBVKVBE-UHFFFAOYSA-N
-rxn:5:197876:226320:226450,CC1(c2cccc(-c3cc4c(cc3-c3cc(C5(C#N)CC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)c2)OCCO1,ZRYRCEOSFKUBPK-UHFFFAOYSA-N
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-rxn:5:197876:226320:226973,CC1(C)COc2ccc(-c3cc4c(cc3-c3cc(C5(C#N)CC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc21,FJZVFJCAVYPRIW-UHFFFAOYSA-N
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-rxn:5:197876:226437:227903,CCN(C)c1cccc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LTWKGDMPZIPXNS-UHFFFAOYSA-N
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-rxn:5:197876:226441:226085,CC1(C)CCc2cc(-c3cc4c(cc3-c3ccc(N5CCCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2O1,PGUDKMPONOILTP-UHFFFAOYSA-N
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-rxn:5:197876:226581:223421,CNC(C)c1ccc(-c2cc3c(cc2-c2cccc(C(=O)N(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1,SHBCLDMFAQNZAY-UHFFFAOYSA-N
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-rxn:5:197876:226762:226084,CSc1cc(-c2cc3c(cc2-c2ccc4c(c2)C(=O)CCCC4)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,GFGKFVVIPGUBAY-UHFFFAOYSA-N
-rxn:5:197876:226762:227722,CSc1cc(-c2cc3c(cc2-c2cccc(SC(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,OIXSSPPPKZWCNP-UHFFFAOYSA-N
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-rxn:5:197876:226971:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc3c(c1)CCCOC3)S(=O)(=O)N(C(C)(C)C)C2=O,FFZSDWUUZPVONA-UHFFFAOYSA-N
-rxn:5:197876:227018:226915,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,LUFMHAOCJFHFMP-UHFFFAOYSA-N
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-rxn:5:197876:227102:226054,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cnc(C(F)(F)C(F)(F)F)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,JSQPQADEBVYCOM-UHFFFAOYSA-N
-rxn:5:197876:227108:227292,CN(C)Cc1cc(-c2cc3c(cc2-c2cc(C4CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,FBYVLMGWCCKZMC-UHFFFAOYSA-N
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-rxn:5:197876:227409:223271,CC(=O)Nc1cc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,ZDNATKAZIBRCBW-UHFFFAOYSA-N
-rxn:5:197876:227412:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,CDQYGXZMBAPUMH-UHFFFAOYSA-N
-rxn:5:197876:227415:226757,Cc1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1OC(F)(F)F,LEQVXVWHEQZHPE-UHFFFAOYSA-N
-rxn:5:197876:227415:226946,CN1CCc2cc(-c3cc4c(cc3-c3ccc(C(C)(C)C)nc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2C1,ZGPFNONGQYMQKZ-UHFFFAOYSA-N
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-rxn:5:197876:227531:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(F)cc(C(=O)OC)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,USFCOOWVINFJCB-UHFFFAOYSA-N
-rxn:5:197876:227661:226085,Cc1cc(C(F)(F)F)ccc1-c1cc2c(cc1-c1ccc3c(c1)CCC(C)(C)O3)C(=O)N(C(C)(C)C)S2(=O)=O,LCMJASNUPIBUPA-UHFFFAOYSA-N
-rxn:5:197876:227673:225466,CC1CCCCN1c1ccc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,SBNCSIQIVNKYKG-UHFFFAOYSA-N
-rxn:5:197876:227716:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc(F)c2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HKUIJSZSVLJIKB-UHFFFAOYSA-N
-rxn:5:197876:227724:223287,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cc(OC(F)F)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,WZGUOOFITBJYES-UHFFFAOYSA-N
-rxn:5:197876:227724:226968,CC1(C)Cc2ccc(-c3cc4c(cc3-c3cc(OC(F)F)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2O1,QQPMYLKNQHVORF-UHFFFAOYSA-N
-rxn:5:197876:227752:227409,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cn1,BEMXIGSXRAYZLM-UHFFFAOYSA-N
-rxn:5:197876:227782:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C(F)(F)F)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GJFWDZRVQNYCGL-UHFFFAOYSA-N
-rxn:5:197876:227801:226058,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1c(C(F)(F)F)ccnc1F)S(=O)(=O)N(C(C)(C)C)C2=O,DYQUNBXRACNSPG-UHFFFAOYSA-N
-rxn:5:197876:227801:226762,CSc1cc(-c2cc3c(cc2-c2c(C(F)(F)F)ccnc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,GHDGFNLVNXZUIO-UHFFFAOYSA-N
-rxn:5:197876:227801:227670,CC(F)(F)c1cc(F)cc(-c2cc3c(cc2-c2c(C(F)(F)F)ccnc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,GBGHLQKLCWYXSU-UHFFFAOYSA-N
-rxn:5:197876:227810:225811,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,HAHFOSDUICQEHH-UHFFFAOYSA-N
-rxn:5:197876:227815:225394,CCC(C)c1ccccc1-c1cc2c(cc1-c1cc(C3CCC3)cc(C3CC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,CYDNBURIDSMLRP-UHFFFAOYSA-N
-rxn:5:197876:227815:226146,CCC(C)c1ccccc1-c1cc2c(cc1-c1ccc(SC3CCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,APSKWONMAYXVQX-UHFFFAOYSA-N
-rxn:5:197876:227823:225591,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1cc(CN3CCCC3)ccc1F)C(=O)N(C(C)(C)C)S2(=O)=O,OEXHUQOJYISRSU-UHFFFAOYSA-N
-rxn:5:197876:227830:225822,CC1(c2ccc(-c3cc4c(cc3-c3cccc(C(F)(F)F)c3C3CC3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,ZRMRJIQUELJABR-UHFFFAOYSA-N
-rxn:5:197876:227910:226759,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,VHQWJTRRSJPYDZ-UHFFFAOYSA-N
-rxn:5:197876:227963:226190,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)ccn1,NZQLZHQYGUTLEY-UHFFFAOYSA-N
-rxn:5:197876:227971:226031,CC(C)(C)c1ccncc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)C(=O)N(C(C)(C)C)S2(=O)=O,OZEIMEBRWJUFOJ-UHFFFAOYSA-N
-rxn:5:197876:227978:226059,CC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C(C)C)cc2C(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SAFQPCLVFJWYKA-UHFFFAOYSA-N
-rxn:5:197876:227980:226147,Cc1cc(OC(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(C3CC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,RXIYIJUCOMJKQT-UHFFFAOYSA-N
-rxn:5:197876:228220:226149,COc1ccc(-c2cc3c(cc2-c2cc(C(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(C)(C)C,PVVKLNQEPNKCJH-UHFFFAOYSA-N
-rxn:5:197876:228231:225472,CC1CCCCN1c1cccc(-c2cc3c(cc2-c2ccc(N(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KOWGTVYZFKCRSH-UHFFFAOYSA-N
-rxn:5:197876:228231:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1ccc(N(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,HPAGMPRHTUSKNT-UHFFFAOYSA-N
-rxn:5:197876:228253:226062,CC(C)c1cc(-c2cc3c(cc2-c2ccc(P(C)(C)=O)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,IPTIUAYBKKLMHT-UHFFFAOYSA-N
-rxn:5:197876:228268:226085,CSc1c(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)C(=O)N(C(C)(C)C)S3(=O)=O)ccc(C)c1F,PARRUZIYEZYJMY-UHFFFAOYSA-N
-rxn:5:197876:228388:226349,Cc1cnc(C(F)F)cc1-c1cc2c(cc1-c1cc(F)cc(OC(C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,VGODDLSYOSUSSQ-UHFFFAOYSA-N
-rxn:5:197876:228419:226768,CSc1cc(F)c(-c2cc3c(cc2-c2ccc(SC)c(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,GQAYPXDQJRVIFM-UHFFFAOYSA-N
-rxn:5:197876:228420:226084,CSc1c(F)cc(-c2cc3c(cc2-c2ccc4c(c2)C(=O)CCCC4)C(=O)N(C(C)(C)C)S3(=O)=O)cc1F,FVTQZRMJXVLJGM-UHFFFAOYSA-N
-rxn:5:197876:228447:226153,COc1cc(C)c(-c2cc3c(cc2-c2cccc(C(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C1CC1,NWDHWSDJNXAYIT-UHFFFAOYSA-N
-rxn:5:197876:228477:226061,CC(C)c1cc(-c2cc3c(cc2-c2cnccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,PDIWVUABQKHZEO-UHFFFAOYSA-N
-rxn:5:197876:228485:226589,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccncc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,LQXMTRMYTVAMAN-UHFFFAOYSA-N
-rxn:5:197876:228521:225945,Cc1cc(-c2cc3c(cc2-c2ccc(C#CC(F)(F)F)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C)c1C,GKISGYXPZFVXKR-UHFFFAOYSA-N
-rxn:5:197876:228562:225822,CCC(C)c1csc(-c2cc3c(cc2-c2cccc(C(F)(F)F)c2C2CC2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,KACOLFSHXXNLBG-UHFFFAOYSA-N
-rxn:5:197876:228562:226842,CCC(C)c1csc(-c2cc3c(cc2-c2cncc(C(=O)C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SNRPVUITUICIFC-UHFFFAOYSA-N
-rxn:5:197876:228563:225811,CC(C)Cc1csc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,RRIJRKGKBWYRKF-UHFFFAOYSA-N
-rxn:5:197876:228564:226759,CCC(C)c1ccc(-c2cc3c(cc2-c2cc(OC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)s1,QQULSKXANVBZEM-UHFFFAOYSA-N
-rxn:5:197876:228567:225499,CCC(C)c1sccc1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1F)C(=O)N(C(C)(C)C)S2(=O)=O,YIXURKKXVQMQJA-UHFFFAOYSA-N
-rxn:5:197876:228567:226331,CCC(C)c1sccc1-c1cc2c(cc1-c1ccc(C3(C#N)CC3)cc1F)C(=O)N(C(C)(C)C)S2(=O)=O,GMEMKCFRJUGVAG-UHFFFAOYSA-N
-rxn:5:197876:228567:226431,CCC(C)c1sccc1-c1cc2c(cc1-c1ccc(N3CCCC3)c(F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,RFHDNAHOJJVYNI-UHFFFAOYSA-N
-rxn:5:197876:228624:225822,CSc1cc(-c2cc3c(cc2-c2cccc(C(F)(F)F)c2C2CC2)C(=O)N(C(C)(C)C)S3(=O)=O)ccc1C,LGILSWWPIKKJIB-UHFFFAOYSA-N
-rxn:5:197876:228802:225637,CN1CCN(c2ccccc2-c2cc3c(cc2-c2ccccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)CC1,BRLLCXAPUVDTKM-UHFFFAOYSA-N
-rxn:5:197876:228925:225823,CSc1cnc(F)c(-c2cc3c(cc2-c2cc(C(C)C)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,NCEQKAQYNNSRLJ-UHFFFAOYSA-N
-rxn:5:197876:228930:225824,CSc1c(-c2cc3c(cc2-c2cc(C4CC4)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)ccnc1F,IAMCUHOFXHFGGD-UHFFFAOYSA-N
-rxn:5:197876:228969:226137,CC(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1cscc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,WREKWCYMCPFARN-UHFFFAOYSA-N
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-rxn:4:184401:224194,CCN1CCN(Cc2ccc(-c3ccc(CC(=O)OC)c(C(F)F)c3C#N)cc2Cl)CC1,XJRUYYGJJBVQRE-UHFFFAOYSA-N
-rxn:4:184432:222655,CCOC(=O)c1ccc(C(F)F)c(-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)c1C#N,BNXISXPYYYCTCT-UHFFFAOYSA-N
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-rxn:4:184848:225852,CCOc1cc(-c2cnc(C3CCCCC3)nc2Cl)ccc1C(=O)ON1C(=O)CCC1=O,MGEKHBPJKWPTIQ-UHFFFAOYSA-N
-rxn:4:184888:224616,COC(=O)C1CN(Cc2ccc(-c3ccccc3OCCN3CCOCC3)c(C(F)(F)F)c2)C1,WUZRAVJXPFASAX-UHFFFAOYSA-N
-rxn:4:184889:224768,COC(=O)C1CN(Cc2ccc(-c3cc(F)c(C(=O)N4CCCC4)c(F)c3)cc2C(F)(F)F)C1,QEPVBTVFTDZPNU-UHFFFAOYSA-N
-rxn:4:184934:223640,CCOC12C(=O)c3cc(F)cc(-c4ccccc4CN(C)C(=O)OC(C)(C)C)c3C(=O)C1C2(C)C,XKDYWUWWUBJVFQ-UHFFFAOYSA-N
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-rxn:4:185018:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1ccccc1OCCCN1CCCCC1,BGZYWBYPEQBTDQ-UHFFFAOYSA-N
-rxn:4:185031:222811,CCOC(=O)C1CCC(Oc2ccc(-c3cc(Cl)nc(NC(=O)OC(C)(C)C)c3)cn2)CC1,ULHCLCMBLKUNCQ-UHFFFAOYSA-N
-rxn:4:185052:223541,O=S(=O)(c1cc(F)c(F)cc1-c1cccc(OCC2CCN(CC(F)(F)F)CC2)c1)N1CCC2(CC1)OCCO2,CBJKXOOQJCMEJW-UHFFFAOYSA-N
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-rxn:4:185108:222849,N#Cc1cc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OCC2CC2)ccc1C1CCNCC1,WNDRRFADLDYDOU-UHFFFAOYSA-N
-rxn:4:185110:223823,COC1CCN(Cc2ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2OC(F)(F)F)CC1,CVBVRJMABGNDPZ-UHFFFAOYSA-N
-rxn:4:185110:224180,COC1CCN(Cc2ccc(-c3ccccc3OCCN3CCN(C)CC3)cc2OC(F)(F)F)CC1,IRZZTDXGDIXIAE-UHFFFAOYSA-N
-rxn:4:185111:223053,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(C(=O)NC(C)C)cc2F)CC1,RONLAEJZSZWCBQ-UHFFFAOYSA-N
-rxn:4:185114:225408,O=C(CS(=O)(=O)c1ccc(-c2cc3c4c(c2)CCCN4CCC3)cc1)N1CCC(C(F)(F)F)CC1,CYZBISXOUKMLKV-UHFFFAOYSA-N
-rxn:4:185114:228388,Cc1cnc(C(F)F)cc1-c1ccc(S(=O)(=O)CC(=O)N2CCC(C(F)(F)F)CC2)cc1,RZBSQROJNTXOFJ-UHFFFAOYSA-N
-rxn:4:185115:224190,COc1ccc(-c2ccccc2S(=O)(=O)CC(=O)N2CCCC(C(F)(F)F)C2)cc1O[Si](C)(C)C(C)(C)C,PTXWPKKQGXLBBG-UHFFFAOYSA-N
-rxn:4:185117:225209,Cc1nc(N2CCCCC2C)ncc1-c1cccc(S(=O)(=O)CC(=O)N2CCCC(C(F)(F)F)C2)c1,LQYUHUKHTSTPRA-UHFFFAOYSA-N
-rxn:4:185147:222537,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CCCC3)nc(C3CCCNC3)c2)C1,JGDAAIYPNCVOGT-UHFFFAOYSA-N
-rxn:4:185161:223103,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2C2CN(C(=O)OC(C)(C)C)C2)s1,PYFQACIUJQFUCP-UHFFFAOYSA-N
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-rxn:4:185180:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(CN(C(=O)c4ccccc4F)C4CCS(=O)(=O)C4)o3)cnc21,FQEQGNXASJBQDQ-UHFFFAOYSA-N
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-rxn:4:185180:225352,CC(=O)Oc1ccc(-c2ccc(CN(C(=O)c3ccccc3F)C3CCS(=O)(=O)C3)o2)cc1C(F)(F)F,FHNFQYRCMCOEHJ-UHFFFAOYSA-N
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-rxn:4:185242:224481,CCC(CC)C(=O)N1CCCC1c1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1,PIVDIOVLPQOWJB-UHFFFAOYSA-N
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-rxn:4:185269:223191,CNS(=O)(=O)c1ccc(-c2ccc(C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)cc2)cc1F,AYOQMAMPUUOKEG-UHFFFAOYSA-N
-rxn:4:185311:223079,CCN(c1cc(-c2cccc(S(=O)(=O)NC(C)C)c2)cc(C(=O)OC)c1C)C1CCOCC1,LEJMKVOIQBGAEU-UHFFFAOYSA-N
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-rxn:4:185452:224395,CCOC(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1-c1cc(N2CCOCC2)cc(C(F)(F)F)c1,YJRYLBNOSBSKBH-UHFFFAOYSA-N
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-rxn:4:187317:222829,CNS(=O)(=O)c1ccc(-c2ccc(OC)c(C(=O)N3CCCCC3)c2OC)c(C(F)(F)F)c1,LGDNIDRQZBEPSF-UHFFFAOYSA-N
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-rxn:4:187327:223184,CC(C)(C)OC(=O)N1[C@@H](c2cccc(-c3cnc(N4CCNCC4)nc3)c2)COS1(=O)=O,ADOBHJPGIAJOSA-GOSISDBHSA-N
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-rxn:4:187483:222944,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2F)c(OC)c1,IAFJAOOWWLSTRM-UHFFFAOYSA-N
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-rxn:4:187504:223482,O=S(=O)(c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,MZNGWCRMWNAARW-UHFFFAOYSA-N
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-rxn:4:187670:227225,CC(C)CSc1ccc(-c2cc(Cl)cc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)cn1,CXNNJWHOBBUHAA-UHFFFAOYSA-N
-rxn:4:187678:222584,COc1ccc(C2CCCCN(C(=O)c3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3)C2)cc1,RTNAUJHCSIMHHH-UHFFFAOYSA-N
-rxn:4:187683:224612,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1,YXTFMNFCUCZFGH-UHFFFAOYSA-N
-rxn:4:187693:223055,Cc1nc(N2CCNCC2)ccc1-c1ccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)c(F)c1,UZLNZXJMIRXJSH-UHFFFAOYSA-N
-rxn:4:187696:222854,COc1ccc(C2CCCNC2)cc1-c1cc(C)c(C)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,XQBRSANLEZAZRO-UHFFFAOYSA-N
-rxn:4:187721:223595,COC(=O)CCc1c[nH]c2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cc12,OQWMIGOCMNWJBF-UHFFFAOYSA-N
-rxn:4:187847:222945,CC(C)NS(=O)(=O)c1ccc(-c2cc3c(cc2C(F)F)N(C(=O)OC(C)(C)C)CC3)cc1F,ZCBNHTKPKWVTEM-UHFFFAOYSA-N
-rxn:4:187911:222446,C=C1CC2CCC(C1)N2C(=O)CCc1ccccc1-c1cc(C(=O)NCc2ccc(OC)cc2)ccc1F,PFLKJGTVQRVFQU-UHFFFAOYSA-N
-rxn:4:187948:222730,CCCc1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC(S(C)(=O)=O)C3)cc(C2CCNCC2)n1,RRHHYVMDAOFBIU-UHFFFAOYSA-N
-rxn:4:187950:222695,Cc1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(=O)(=O)c3ccccc3)C4)o2)cc1S(=O)(=O)NC1CCCC1,ZIODATQGAAZGJA-UHFFFAOYSA-N
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-rxn:4:187970:223886,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c2ccccc21,MENFTADVOFYHCS-UHFFFAOYSA-N
-rxn:4:187974:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccccc1CCC(=O)N1CCCC2(C1)OC(=O)c1ccccc12,XTYLXPSPIAVPCG-UHFFFAOYSA-N
-rxn:4:188304:223533,COc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c(CC#N)c1,IEBSLVLVDJXXFA-UHFFFAOYSA-N
-rxn:4:188540:223648,COC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C(C)=O)[nH]1,QSDJARVUVAIYKS-UHFFFAOYSA-N
-rxn:4:188905:223502,CCS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,DYSPGLPYTYPLBO-UHFFFAOYSA-N
-rxn:4:188980:223559,COC(=O)C1(c2ccc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)nc2)CC1,GZTGAYDBLCGBKJ-UHFFFAOYSA-N
-rxn:4:189287:223532,COc1ccc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)N(C)C)c1,AZFHNBAYYAARGM-UHFFFAOYSA-N
-rxn:4:189384:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cc(C(=O)N4CCC4)cc(C(F)(F)F)c3)c2F)C1,ZPLCRGDZIGJNNB-UHFFFAOYSA-N
-rxn:4:189433:222513,COc1ccc(-c2cc(S(=O)(=O)NC3CCCCC3)ccc2OC)cc1C(=O)N1CCC1,QNDDDKRDSFOURX-UHFFFAOYSA-N
-rxn:4:189608:222889,Fc1cc(CN2CCNCC2)cc(-c2cc(OC(F)(F)F)cc(N3CCC(F)(F)C3)c2)c1,JCPFTUSAXPYOLZ-UHFFFAOYSA-N
-rxn:4:189704:223660,COC(=O)C1CC(=O)N(c2ccccc2-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)C1,IKZKZWOCSNWCPU-UHFFFAOYSA-N
-rxn:4:189748:223531,CN(C(=O)c1cc(Cl)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1)c1ccccc1F,YRHTVUXZVUSJNI-UHFFFAOYSA-N
-rxn:4:189821:223579,COc1cccc(C(=O)N2CCCC2)c1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2C)cc1,GJDJLXSRECVWHV-UHFFFAOYSA-N
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-rxn:4:189875:224802,COC(OC)c1ccc(-c2cccc(C(F)(F)F)c2C(=O)N2CCOCC2)c(C(F)(F)F)c1,PUQRVXUSIABTSH-UHFFFAOYSA-N
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-rxn:4:189972:222770,O=C(NC1CCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(C(F)(F)F)c2)cc1Cl,QUGBVYOTRHTACZ-UHFFFAOYSA-N
-rxn:4:190072:224006,COc1nc2ccc(OC(F)(F)F)cc2cc1-c1ccc(Cl)c(C(=O)N2CCCCC2C(F)(F)F)c1,NPAADVYUFNBJFM-UHFFFAOYSA-N
-rxn:4:190084:225540,CC(C)COc1cc(-c2cccc(C(F)(F)F)c2C(=O)N2CCCC(F)(F)C2)ccc1C#N,ZCFQMVLZWPVTAX-UHFFFAOYSA-N
-rxn:4:190111:222632,CCS(=O)(=O)N1CCCC1c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)cc1,XZVMOTOBXNRYCT-UHFFFAOYSA-N
-rxn:4:190113:224317,CN1CCN(C(=O)c2ccc(-c3cccc(CCN4CCCC(F)(F)C4)c3)c(F)c2)CC1,OSWQUOMQMWUMIA-UHFFFAOYSA-N
-rxn:4:190116:224351,CCc1cc(-c2ccc(C3CCCCO3)c(C(F)(F)F)c2)ccc1S(=O)(=O)N1CCCC1,RXBZKYKBJGNGCC-UHFFFAOYSA-N
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-rxn:4:190180:225750,CCN(CC)c1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)cc(F)c1F,WUPNVEBFSBBMEE-UHFFFAOYSA-N
-rxn:4:190272:223923,CC1CCCN(C(=O)Cc2ccc(F)cc2-c2ccc(F)c(C(=O)N(C)C3CCCCC3)c2)C1,SHVKONPZHQZRCN-UHFFFAOYSA-N
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-rxn:4:203684:223671,COc1c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cncc1S(=O)(=O)N1CCOCC1,OSQAWTPPCXCPRK-UHFFFAOYSA-N
-rxn:4:203712:225001,O=S(=O)(c1ccc(-c2ccc(CN3CCCC(F)C3)cc2)cc1)N1C=CC(C(F)(F)F)=NCC1,SDXLQFZCPCEYLI-UHFFFAOYSA-N
-rxn:4:203731:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CC(N5CCCC5)C4)o3)c2)CC1,PFFSRQWWQODIEM-UHFFFAOYSA-N
-rxn:4:203739:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3ccc(N4CCN(CC(F)(F)F)CC4)cc3)cc2C)cc1,MNPUEWKBRIGSSF-UHFFFAOYSA-N
-rxn:4:203772:224552,COc1cc(N2CCCCC2)c(-c2cc(F)cc(COC3CCCCC3)c2)cc1[N+](=O)[O-],AAARFFGAEOALOA-UHFFFAOYSA-N
-rxn:4:203818:223812,CCN1CCN(C(=O)c2cc(F)cc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)c2)CC1,OCXMDRYKZKQWSS-UHFFFAOYSA-N
-rxn:4:203871:223638,CCN1CCN(Cc2cc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)ccc2F)CC1,PFIZMNYCMIGJJR-UHFFFAOYSA-N
-rxn:4:203906:222589,COC(=O)c1cc(F)c(N2CCN(C)CC2)cc1-c1ccc(OCCN2CCC(O)CC2)c(Cl)c1,PZEAGIUKXYXOSY-UHFFFAOYSA-N
-rxn:4:203915:223834,Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)COC3=O)C2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,MBGATHZHLICETM-UHFFFAOYSA-N
-rxn:4:203976:222978,CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(-c3ccc(C(=O)NC4CCC4)cc3)cc2Cl)CC1,PARQRQVIPHHSJN-UHFFFAOYSA-N
-rxn:4:203986:225188,O=C(c1cc(-c2ccc(Cl)c(CN3CCOCC3)c2)ccc1Cl)N1CCC(N2C(=O)CSC2=O)CC1,AQZGVTIRSKLKCD-UHFFFAOYSA-N
-rxn:4:203987:226503,CON(C)C(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c1,WVVUQUAPQNGVTO-UHFFFAOYSA-N
-rxn:4:204015:222826,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)ccc2C)CC1,ALPRDSOYOKKSJL-UHFFFAOYSA-N
-rxn:4:204019:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccccc2CN2CCN(S(C)(=O)=O)C(C)C2)c1,HTYSVNDKWKXCCW-UHFFFAOYSA-N
-rxn:4:204025:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(CN2CCN(C)CC2)c(S(C)(=O)=O)c1,HGAKRMAOWUEMIU-UHFFFAOYSA-N
-rxn:4:204055:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(C(=O)N2CCCN(C3CCSC3)CC2)o1,UNQLWIIJRNHTBD-UHFFFAOYSA-N
-rxn:4:204071:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(CN3CCOCC3)c(N3CCCC3)c2)c1,UCYZYTKYRXWWNB-UHFFFAOYSA-N
-rxn:4:204103:224404,O=C(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)cc1)N1CCC(N2CCCC2)CC1,SSYNJJCVXZCTGW-UHFFFAOYSA-N
-rxn:4:204104:223911,CCOC(=O)C1(c2ccc(-c3cccc(N4CCN(C(=O)C5CCCC5)CC4)c3)cc2)CCOCC1,IFULKKGKGTVXAH-UHFFFAOYSA-N
-rxn:4:204114:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(C(=O)N4CCCN(C5CCSCC5)CC4)o3)cc2)CC1,DSXLUHPWNMAXNN-UHFFFAOYSA-N
-rxn:4:204115:223105,CNS(=O)(=O)c1cc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCC3)CC2)c(F)cc1C,QPFAPFXTKLTKBS-UHFFFAOYSA-N
-rxn:4:204130:223979,O=C(c1cc(-c2ccc(C3=NC4(CCCC4)N(C(=O)c4ccc(F)cc4)C3=S)cc2)cc([N+](=O)[O-])c1)N1CCCCC1,YGPQRDCLXJJVGO-UHFFFAOYSA-N
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-rxn:4:204160:225233,Cc1cc(-c2cnc(Cl)c(N3CCCC(C)C3)c2)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C,WKKRQQGPNHXRMA-UHFFFAOYSA-N
-rxn:4:204170:223169,CC1CCCCN1Cc1ccc(-c2cnc(C3CCNCC3)nc2)cc1N1CCCCC1,QGZCRNRNDFVRLD-UHFFFAOYSA-N
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-rxn:4:204694:225882,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cnc(Cl)c(C3CCOCC3)c2)cc1)C1CC1,UWQXRFUYGIUUTK-UHFFFAOYSA-N
-rxn:4:204696:226659,COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1cnc(N2CCCC2)c(Cl)c1,OABDEFCZZDSLMB-UHFFFAOYSA-N
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-rxn:4:212630:224180,CN1CCN(CCOc2ccccc2-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)CC1,ORTVLCQXMJCRPT-UHFFFAOYSA-N
-rxn:4:212636:223862,CCCCc1ccc(-c2ccc(-c3cnn(CCC4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)cc1,DOJIPRWPRDXDLU-UHFFFAOYSA-N
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-rxn:4:212739:223961,CN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCCCC3)c2)cc1,UIJHUXIEOAMYHO-UHFFFAOYSA-N
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-rxn:4:212744:223279,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cnc(C4CCCN4)nc3)c2)CC1,IRZBALHWFNZTNJ-UHFFFAOYSA-N
-rxn:4:212748:226716,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccn(C(=O)OC(C)(C)C)n3)c2)CCN1C(=O)OC(C)(C)C,JDUFDKAXFACNQS-UHFFFAOYSA-N
-rxn:4:212750:227214,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(OCCC#N)cc2)cc1N1CCCCC1,SSONMMRVSOXNOK-UHFFFAOYSA-N
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-rxn:4:212828:223961,COc1ccc(-c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)c1,JKLQOXXSBIPUJU-UHFFFAOYSA-N
-rxn:4:212831:223540,COC(=O)CN1C(CN2CCOCC2)=Nc2ccc(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)ccc3OC)cc2C1c1ccccc1,DPIIPYDKCOIHIR-UHFFFAOYSA-N
-rxn:4:212839:226691,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(Cl)c(N5CCCC5)c4)ccn23)CC1,KAHUACQAZJNQAD-UHFFFAOYSA-N
-rxn:4:212843:226120,CCCOc1cc(C)c(-c2ccc(N3CCN(C)CC3)c3c2CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C3)c(C)c1,JHYXUFBPDMVOQN-UUWRZZSWSA-N
-rxn:4:212914:224759,O=C(c1cc(F)cc(-c2cncc(C(=O)N3CC(Oc4ccnc(C(F)(F)F)c4)C3)c2)c1)N1CCOCC1,DAUAMERXMFYDBP-UHFFFAOYSA-N
-rxn:4:212944:226302,CCOC(=O)c1ccc(-c2cc(C(F)(F)F)cnc2N2CCN(C(=O)OCC)CC2)c(C)c1,BSPJVWIIJDBHCP-UHFFFAOYSA-N
-rxn:4:212973:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)cn1,NWFWCMHXBBYIQN-UHFFFAOYSA-N
-rxn:4:212988:227465,COCCOc1cncc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cs2)c1,IWHKFPZTTDQZKW-UHFFFAOYSA-N
-rxn:4:212989:226644,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3cncc(N4CCOCC4)c3)s2)CC1,VBLFARUARJJZJQ-UHFFFAOYSA-N
-rxn:4:213011:225313,CC(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(C)CC4)nc3F)cn2)C1,VMUGCDSWJXOLSZ-UHFFFAOYSA-N
-rxn:4:213070:222729,CCCc1cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2CCCNC2)n1,BQFGXDMGZZQVRU-UHFFFAOYSA-N
-rxn:4:213076:222725,CCNS(=O)(=O)c1ccc(-c2cnn(-c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cc3)c2)c(C(F)(F)F)c1,FCIKTYKEUAZLQL-UHFFFAOYSA-N
-rxn:4:213097:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4(C#N)CCN(C(=O)OC(C)(C)C)CC4)nc3)cc2)CC1,QWNRFZIGXOPEGU-UHFFFAOYSA-N
-rxn:4:213099:222910,CCCNS(=O)(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)(F)F)c(C)c1,GIZSTRYOMBJASF-UHFFFAOYSA-N
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-rxn:4:213111:224755,COc1cccc(C(=O)N2CCC(Oc3ncc(-c4cc(C(=O)N5CCOCC5)ccc4F)cn3)CC2)c1,SIFFNQOGEAWSHL-UHFFFAOYSA-N
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-rxn:4:213136:224957,CC(C)(C)[Si](C)(C)Oc1ccccc1-c1cnc(OCC2CCCN(CC3CCCO3)C2)nc1,PJMHJIHYXCFYBY-UHFFFAOYSA-N
-rxn:4:213138:224880,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3CN3CCCCCC3)cnc2F)CC1,IZDUDLKQMJBNQN-UHFFFAOYSA-N
-rxn:4:213153:222748,O=C(NCC1CCCO1)c1cccc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2[N+](=O)[O-])c1,KHWLWQNLAJDMFQ-UHFFFAOYSA-N
-rxn:4:213172:224970,Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2)CC1,BBPUNCPMMBPUHA-UHFFFAOYSA-N
-rxn:4:213176:223598,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,QEKIIKMFCTZFGI-UHFFFAOYSA-N
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-rxn:4:213192:228232,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(Cl)c(C4CC4)c3)n2)CC1,NYXFJRSPAGODRW-UHFFFAOYSA-N
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-rxn:4:213234:225257,CCOC(=O)COc1cc(F)cc(-c2cc(OC)c(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2OC)c1,HENZRUJLELHXND-UHFFFAOYSA-N
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-rxn:4:213291:225464,CC1CCCN(c2cccc(-c3ccc(CC(=O)N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)cc3)c2)C1,IZALAWVNKYWUEJ-UHFFFAOYSA-N
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-rxn:4:213354:226548,COC(=O)Cc1ccc(-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)c(Cl)c1,SHADSDBZMVMSFD-UHFFFAOYSA-N
-rxn:4:213388:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccnc3c2ccn3CC2CCN(C(=O)OC(C)(C)C)CC2)CC1,FTJAGHMDICJJNE-UHFFFAOYSA-N
-rxn:4:213412:223122,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4cccc(NC(=O)C(C)C)c4)cc3nn2C)CC1,FCUNOBACLXAJPL-UHFFFAOYSA-N
-rxn:4:213412:227761,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(F)cc4C(F)(F)F)cc3nn2C)CC1,LUGSFUZYIRCZAY-UHFFFAOYSA-N
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-rxn:4:213424:225517,CN(C)CCCOc1cccc(-c2ccc(C(=O)N3CCC(COc4cc5c(nn4)CCCC5)CC3)cc2)c1,LSNZKWWWCCPVSG-UHFFFAOYSA-N
-rxn:4:213449:223528,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3c2-c2ccccc2)=NN1C(C)=O,NBVGRQQCEPGFFU-UHFFFAOYSA-N
-rxn:4:213459:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c2)CC1,ILKDJVXITCACIJ-HHHXNRCGSA-N
-rxn:4:213475:222969,COc1cc(-c2ccc(C(=O)NCC3CC3)cc2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,ZWPCPBUVIVBEKJ-WWADNGLNSA-N
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-rxn:4:213653:225889,C[Si](C)(C)CCOCn1nccc1-c1cncc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1,WCGUYLWVFMKBPA-UHFFFAOYSA-N
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-rxn:4:213872:224886,CC1CCN(Cc2ccc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)cc2)CC1,HSGFAOKZVGBAPW-UHFFFAOYSA-N
-rxn:4:213901:223127,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccc(CNC3CC3)cc2F)CC1,NRTTYJWASLMLST-UHFFFAOYSA-N
-rxn:4:213902:225984,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2F)CC1,AMSXRLIJOHPXFN-UHFFFAOYSA-N
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-rxn:4:214028:224163,Cc1c(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)ccc2c1cnn2C1CCCCO1,XNPNEDGUCPLTLZ-UHFFFAOYSA-N
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-rxn:4:214039:224953,COc1ccc(C2SCCN2S(=O)(=O)c2c(C)nn(C)c2C)cc1-c1ccc(OCC2CCCCC2)nc1,WBHUKCRZPNMVKC-UHFFFAOYSA-N
-rxn:4:214051:225454,CC(C)c1sc(-c2ccc(C3=CCN(C)CC3)cc2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,OHKHYXXHWGSHAC-UHFFFAOYSA-N
-rxn:4:214064:222418,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2N2CCOCC2)CC1,WQCQKSMFHDUOQR-UHFFFAOYSA-N
-rxn:4:214064:222753,CS(=O)(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)NCc4cccs4)c3)cc2N2CCOCC2)CC1,JXCSIXHOTXSDBT-UHFFFAOYSA-N
-rxn:4:214064:225073,CCOC(=O)c1cc2cccc(-c3ccc(CN4CCN(S(C)(=O)=O)CC4)c(N4CCOCC4)c3)c2s1,QKXCYYSGJUUIFB-UHFFFAOYSA-N
-rxn:4:214064:228304,CC(C)Oc1ncc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)cn1,SXQQMBHAIANGRE-UHFFFAOYSA-N
-rxn:4:214072:223492,Cc1cc(-c2cccc(N3C(=O)CC(N4CCN(Cc5ccccc5)CC4)C3=O)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QNYWFJHWWAPYNK-UHFFFAOYSA-N
-rxn:4:214079:226182,CC(C)N1CCN(Cc2ccc(-c3cccnc3C3CCCCC3)cc2N2CCCC2)CC1,BHALJZPZIGWGLE-UHFFFAOYSA-N
-rxn:4:214082:226134,Cc1c(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCOCC3)c2)cc(C#N)cc1C1CC1,CWXUMYMCWVIUPF-UHFFFAOYSA-N
-rxn:4:214275:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3[nH]nc(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,JLGJDAIUQYCGDG-UHFFFAOYSA-N
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-rxn:4:214349:226474,CN(C)CCOc1cncc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)c1,AVUDYJXQSDUIEP-UHFFFAOYSA-N
-rxn:4:214361:225126,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4cc(F)ccc4OCC4CCCO4)ccc32)CC1,HKMPVQOSWWXVDI-NBMVZVLESA-N
-rxn:4:214378:223838,CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)c2)s1,HCTMDEFXWVHKBM-UHFFFAOYSA-N
-rxn:4:214588:223651,CC(=O)N1CCC(Oc2ncc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)C4)nc3C)cn2)C1,HAMAZRYVSLVMBZ-UHFFFAOYSA-N
-rxn:4:214630:224741,COc1cc(C2OCCO2)cc(OC)c1-c1c(C2CC2)n[nH]c1C(=O)N1CCOCC1,CKTJQOBTZSMGGM-UHFFFAOYSA-N
-rxn:4:214677:224323,CCN1CCN(c2cc(-c3cc(C)c(S(=O)(=O)N4CCCC4)c(C)c3)ccc2C#N)CC1,YATKNQXBGMTIHA-UHFFFAOYSA-N
-rxn:4:214697:222583,O=C(NCCN1CCOCC1)c1ccc(-c2cnn(C3CCN(CC4CC4)CC3)c2)cc1,KPXYMMKFSKBRGM-UHFFFAOYSA-N
-rxn:4:214706:224761,CS(=O)(=O)N1CCCC(Cc2cnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cn2)C1,AMAQRBVBJSGQAK-UHFFFAOYSA-N
-rxn:4:214711:222694,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)CC1,JJEBZADWNQDVLQ-UHFFFAOYSA-N
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-rxn:4:214742:224017,CN(C)C1CCN(c2ccc(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)c2)CC1,LXGKLAPZQFXKQX-UHFFFAOYSA-N
-rxn:4:214802:223578,O=C(C1CN(c2ncccc2-c2cnc(N3CCCCC3)nc2OCc2ccccc2)CCO1)N1CCCC1,YPMZRJDEJNEWSA-UHFFFAOYSA-N
-rxn:4:214819:223787,CN1CCN(CCCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCC4)C3)cc2F)CC1,VBRSHEBHFGXEEP-UHFFFAOYSA-N
-rxn:4:214821:226755,COC(=O)c1cc(-c2cnc(N3CCCN(S(=O)(=O)C4CC4)CC3)c(F)c2)c(Cl)cc1F,OWUOYUYNCFUUCT-UHFFFAOYSA-N
-rxn:4:214835:222902,COC(=O)CNC(=O)c1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,QLNGKMWUKFJHDD-UHFFFAOYSA-N
-rxn:4:214835:226231,CCCCOc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1C,ZIFISJIQUJNQRG-UHFFFAOYSA-N
-rxn:4:214835:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1,CPHBOHMXUMYJPJ-UHFFFAOYSA-N
-rxn:4:214836:223787,CN1CCN(CCCOc2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2F)CC1,NEWMIKMKNYJDGY-UHFFFAOYSA-N
-rxn:4:214853:224378,N#Cc1c(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)cccc1N1CCN(C2CCCC2)CC1,GEVRABGQQZGIIU-UHFFFAOYSA-N
-rxn:4:214858:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(c4ccn(C)n4)C3)cc2)CC1,PUEIRKJTNYXHRZ-UHFFFAOYSA-N
-rxn:4:214860:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCCC(c2cnn(C)c2)C1,NBPOLUUTZQFMTM-UHFFFAOYSA-N
-rxn:4:214863:222465,Cc1cc(N2CCN(Cc3ccccc3)CC2)ncc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,HFJDMZDPJMJWPE-UHFFFAOYSA-N
-rxn:4:214866:222546,O=C(C1CCCN(c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1)N1CCOCC1,UXBKFYCOQLNIMY-UHFFFAOYSA-N
-rxn:4:214866:222584,O=C(C1CCCN(c2ccc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1)N1CCOCC1,QPDUELTWDIJCJI-UHFFFAOYSA-N
-rxn:4:214870:226479,CCCCOc1nccc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1Cl,YVWSIDLRHKHBRZ-UHFFFAOYSA-N
-rxn:4:214873:226724,O=C(C1CCCN(c2ncc(-c3ccc(OCC(F)(F)F)cc3)cc2F)C1)N1CCOCC1,NLIWYOIAFURCPE-UHFFFAOYSA-N
-rxn:4:214880:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C)c3)c(Cl)c2)CC1,QDYQKKOHSUNKIS-UHFFFAOYSA-N
-rxn:4:214883:228014,O=C(C1CCN(c2ccncc2-c2cccc(C3CC3)c2Cl)CC1)N1CCC(F)(F)CC1,RHPFSWHBYHFQCO-UHFFFAOYSA-N
-rxn:4:214884:223036,CC(C)(C)C(=O)Nc1ccc(-c2cc(Cl)cnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cn1,YZQPAPYIRUNCLX-UHFFFAOYSA-N
-rxn:4:214886:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1,WEDWQGCZBLBYNU-UHFFFAOYSA-N
-rxn:4:214887:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(-c4csc(=Nc5ccccc5)n4N4CCOCC4)cc3)ccc2F)CC1,TWEVLCWWLGUEEX-UHFFFAOYSA-N
-rxn:4:215025:223636,CC(C)(C)OC(=O)N1CCCC(c2ccc(-c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c4cccnc34)cc2)C1,JWVVFCKMHUCITC-UHFFFAOYSA-N
-rxn:4:215054:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)c(F)c1,HOZBYBJCOWDAQD-UHFFFAOYSA-N
-rxn:4:215105:222945,CC(C)NS(=O)(=O)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc1F,SIVFOAUWHMKWAJ-UHFFFAOYSA-N
-rxn:4:215131:224491,Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1-c1ccc(F)c(CN(C(C)C)C(C)C)c1,JDAJEABPTHZEBG-UHFFFAOYSA-N
-rxn:4:215189:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3nc(N4CCN(C(=O)C(C)(C)C)CC4)sc3c2)cc1,RHONMJTYOLWHAH-UHFFFAOYSA-N
-rxn:4:215195:222651,O=C(NC1CCCCC1)c1ccc(F)c(-c2ccc(C3Cn4nc(C(=O)N5CCOCC5)cc4CO3)cc2)c1,GNXOADXNJOBJJJ-UHFFFAOYSA-N
-rxn:4:215198:222584,O=C(C1CN(c2nc3ccc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cc3s2)CCO1)N1CCOCC1,AVVLVPAIAXPQPN-UHFFFAOYSA-N
-rxn:4:215201:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnc3n2CCC32CCN(C(=O)OC(C)(C)C)CC2)c1,NRKMOKWABXDKHZ-UHFFFAOYSA-N
-rxn:4:215239:222412,CNC(=O)Nc1ccc(-c2ccc(N3OC4C(=O)N(C5CCCCC5)C(=O)C4C3c3cccnc3)cc2)cc1,BSPYZHOHBMJARF-UHFFFAOYSA-N
-rxn:4:215304:223935,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc5cccc(F)c5n4C(=O)OC(C)(C)C)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,ZYILZULJPPONGN-UHFFFAOYSA-N
-rxn:4:215309:224080,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(-c3ccc(OCCCN4CCCCC4)cc3)cccc1-2,JAFHMNWSESCCQL-MHZLTWQESA-N
-rxn:4:215820:223521,CC(c1cccc(-c2ccc(OC3CCN(C)CC3)nn2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,KVYMPDVYAMBTCO-UHFFFAOYSA-N
-rxn:4:215827:223502,CSc1ncc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)c(N2CCCCC2)n1,HAXAQJAEFMSECQ-UHFFFAOYSA-N
-rxn:4:215852:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(N4CCOCC4)nc(C4CC4)n3)cc2F)CC1,ICBPQDPAFPFZIN-UHFFFAOYSA-N
-rxn:4:215922:224100,CC1CCN(CCOc2ccccc2-c2c(C(=O)N3CCCCC3C)cnn2C)CC1,CUILUCMOEOJFGY-UHFFFAOYSA-N
-rxn:4:215955:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnccc3N3CCC(N(C)C)CC3)cc2)CC1,PYTXHAMMWLQXIN-RQNOJGIXSA-N
-rxn:4:215970:224738,CSc1ncc(-c2cc(OCC3CC3)cc(C(F)(F)F)c2)c(N2CCC3(CC2)OCCO3)n1,DMXLCQRKKUAWOK-UHFFFAOYSA-N
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-rxn:4:216294:225341,CCOc1ccc(OC(F)(F)F)c(-c2ccc3c(c2)OCCn2cc(N4C(=O)OC[C@H]4C(F)F)nc2-3)c1,WVNBPECSDGKGRU-KRWDZBQOSA-N
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-rxn:4:217047:223687,CC1=NN(c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2)C(=O)C1,NDMCMCUKXBRXJS-UHFFFAOYSA-N
-rxn:4:217076:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCOCC4)nn3)cc2[N+](=O)[O-])CC1,ZHZCGDIJMOWZMV-UHFFFAOYSA-N
-rxn:4:218579:222948,CCN1CCN(c2oc(COc3ccc(-c4cnc(N5CCC(O)CC5)nc4Cl)cc3)nc2C#N)CC1,WIZINORNPYBFBU-UHFFFAOYSA-N
-rxn:4:218588:225947,CN1CCN(c2ncc(-c3cnc(OCC4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc3)cn2)CC1,QNHFPIRPLTZYPD-UHFFFAOYSA-N
-rxn:4:218590:225598,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cccc(CN4CCSCC4)c3)cn2)C1,RUTPGLVQIMDQNX-UHFFFAOYSA-N
-rxn:4:218606:223842,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cn2)C1,DJFVYOGVLUEAAI-UHFFFAOYSA-N
-rxn:4:218606:224751,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(F)c(C(=O)N4CCOCC4)c3)cn2)C1,BOMPBPIENOMYLI-UHFFFAOYSA-N
-rxn:4:218606:224756,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(F)ccc3C(=O)N3CCOCC3)cn2)C1,OIUNVZURHMSTPO-UHFFFAOYSA-N
-rxn:4:218606:225177,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(CN4CCSCC4)c(F)c3)cn2)C1,CFONVIPZGFFGQY-UHFFFAOYSA-N
-rxn:4:218631:224547,O=C1C(N2CCC(COc3ncc(-c4ccc(OCc5ccc(F)cc5)cc4)cn3)CC2)CCN1CC(F)(F)F,OWVCWUXVULQMLW-UHFFFAOYSA-N
-rxn:4:218663:224654,CN(C)c1ccc(C(=O)N2CCC(COc3ncc(-c4ccc(F)c(O[Si](C)(C)C(C)(C)C)c4)cn3)CC2)cc1,VRLBUSHUYVAHIZ-UHFFFAOYSA-N
-rxn:4:218668:224603,O=C(CN1CCN(c2ccccc2)C1=O)N1CCC(Oc2ncccc2-c2cccc3c2cnn3C2CCCCO2)C1,BOPOQUAHTYUQDB-UHFFFAOYSA-N
-rxn:4:218681:225389,CCC(C)c1cc(-c2cnc(OCC3CCN(C(=O)C4CCN(C(C)=O)CC4)CC3)nc2)cc(C2CC2)c1,FKPBUKCSGWAJDW-UHFFFAOYSA-N
-rxn:4:218699:228147,CCCc1cc(-c2cccc(-c3ccc(C#N)c(N4CCCN(C(=O)OC(C)(C)C)CC4)n3)c2)cnc1Cl,VESMXHGEFRGFKA-UHFFFAOYSA-N
-rxn:4:218702:225379,CC(Oc1ccccc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)n[nH]2)CC1,YRRURSFDWKEPHE-UHFFFAOYSA-N
-rxn:4:218705:223083,Cc1nc(N2CCC(O)C2)ncc1-c1ccc(-c2cc(N3CCCN(C(=O)C(C)Oc4ccc(Cl)cc4)CC3)[nH]n2)cc1,YVPSRPQOCYJXKH-UHFFFAOYSA-N
-rxn:4:218749:224691,O=C(Cn1ccc2ccccc21)N1CCCC(COc2ncc(-c3ccc(C(=O)N4CC5(COC5)C4)cc3)cn2)C1,RTGUBLLKVHOKGY-UHFFFAOYSA-N
-rxn:4:218777:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3c(C)nn(C(C)CC(=O)N4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)c3C)cc2C)CC1,WHXLLTRJBAXIDZ-UHFFFAOYSA-N
-rxn:4:218786:225883,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cnc(C6CCOCC6)c(Cl)c5)cccc4c3C2)CC1,JIIVYUOSZSCITG-UHFFFAOYSA-N
-rxn:4:218786:225984,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cnc(Cl)c(N6CCOCC6)c5)cccc4c3C2)CC1,LAWXOBVZRBODFF-UHFFFAOYSA-N
-rxn:4:218818:223842,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)c(C(=O)N2CC(Cn3ccnn3)C2)c1,PMDXMPUMHKDWOT-UHFFFAOYSA-N
-rxn:4:218822:224818,N#Cc1nccnc1OC1CCCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)o2)C1,IBOZBEMPMNXWTG-UHFFFAOYSA-N
-rxn:4:218832:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cscn5)C4)nc3)c2)CC1,VFUXHVDHKKDQNX-UHFFFAOYSA-N
-rxn:4:218851:225091,CCCCOc1c(OC)ccc(-c2cnc(N(C)C3CN(C(=O)OC(C)(C)C)C3)cn2)c1F,QMWAMLQMHYVDNL-UHFFFAOYSA-N
-rxn:4:218867:225688,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCCC4)c(Cl)c3)c2)no1,UIZLWRKSUPOEFV-UHFFFAOYSA-N
-rxn:4:218867:225827,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCN(C)CC4)c3)c2)no1,XJQFDSUONXXWRI-UHFFFAOYSA-N
-rxn:4:218867:225833,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCCCC4)c3F)c2)no1,WPUBPPVZUPQCMV-UHFFFAOYSA-N
-rxn:4:218867:225852,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCCC4)nc3Cl)c2)no1,GDHRBGPGKDANJT-UHFFFAOYSA-N
-rxn:4:218867:225923,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(OC4CCCC4)nc3Cl)c2)no1,SOTGRQPJXPKXIK-UHFFFAOYSA-N
-rxn:4:218867:226064,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(C4CCCCC4)cc3)c2)no1,ARDUMYNHFXBBQC-UHFFFAOYSA-N
-rxn:4:218867:226371,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCC4)cc3C)c2)no1,FINJOZBHIOYGGZ-UHFFFAOYSA-N
-rxn:4:218867:226619,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCC4)nc3C)c2)no1,IDGUODRMUSZTGV-UHFFFAOYSA-N
-rxn:4:218867:226659,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCCC4)c(Cl)c3)c2)no1,FLEPHCXIVITSCH-UHFFFAOYSA-N
-rxn:4:218867:226675,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(C4CCCC4)nc3Cl)c2)no1,BIADLADOXSAGEZ-UHFFFAOYSA-N
-rxn:4:218867:227613,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnn(C4CCOCC4)c3)c2)no1,RIHVGMYEFRSVHE-UHFFFAOYSA-N
-rxn:4:218868:225407,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)cc2)no1,UZYLKOCRCLZQGH-UHFFFAOYSA-N
-rxn:4:218868:225827,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(N4CCN(C)CC4)c3)cc2)no1,YSPRUTSKIMGBNG-UHFFFAOYSA-N
-rxn:4:218868:226064,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)no1,CABLKDXQDORINT-UHFFFAOYSA-N
-rxn:4:218868:226159,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccc(N4CCCCC4)c3)cc2)no1,GNPYZBXXLYECOM-UHFFFAOYSA-N
-rxn:4:218868:226371,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCC4)cc3C)cc2)no1,POFPENYGIBFILB-UHFFFAOYSA-N
-rxn:4:218878:222514,COc1ccc(-c2cncc(C(=O)N3CCC(COc4ncccn4)CC3)c2)cc1S(=O)(=O)NC1CCCCC1,LDNXLHZRTGIQDC-UHFFFAOYSA-N
-rxn:4:218888:222584,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)C1,ANUCLCIYZHQVRT-UHFFFAOYSA-N
-rxn:4:218888:223753,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4cnoc4C)C3)nc2)cc1OCCCN1CCN(C)CC1,WRQPSCRGEVOXNA-UHFFFAOYSA-N
-rxn:4:218948:227464,CCCCSc1ncc(-c2cnc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cn1,NSIVLJAUMJOUTQ-UHFFFAOYSA-N
-rxn:4:218948:227684,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3cnn(CC4OCCO4)c3)cn2)CC1,ZKDWMGOHLZEUPK-UHFFFAOYSA-N
-rxn:4:218982:224393,O=C(c1cncc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,OWLMMDNBCZPGFN-UHFFFAOYSA-N
-rxn:4:219000:222930,O=c1cccnn1CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(Cl)c(N4CCCC(O)C4)c3)cc2)CC1,QMMPCCQHQKUWQA-UHFFFAOYSA-N
-rxn:4:219013:222602,CC(C)Cc1cc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)c(S(=O)(=O)NC(C)(C)C)s1,WHTUDKHIJYOZNV-UHFFFAOYSA-N
-rxn:4:219046:223992,Cc1ccc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,JOUOJBJLTJPJJR-UHFFFAOYSA-N
-rxn:4:219100:222947,CC(=O)Cn1c(-c2cnc(N3CCCC(O)C3)nc2Cl)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,UMGGLHXOAGEUEH-UHFFFAOYSA-N
-rxn:4:219119:223046,CC(=O)C(C)n1c(-c2ccc(F)c(C(=O)NC3CC3)c2)nc2c1c(=O)n(CCC(C)C)c(=O)n2C,QLDDIPGHMUYDAL-UHFFFAOYSA-N
-rxn:4:219130:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c2)CC1,RBAIAGVNCSIKGY-UHFFFAOYSA-N
-rxn:4:219130:224672,CCN1CCN(c2ccc(-c3ccc(C(=O)N4CCN(Cc5nc6cc(OC)ccc6[nH]5)CC4)o3)c(Cl)c2)CC1,BHPBNLOOYHQDOW-UHFFFAOYSA-N
-rxn:4:219205:222546,COc1ccc(CCC(=O)N2CCc3c(cnc4cc(C)nn34)C2)cc1-c1ccc(OCCNC2CCCCC2)c(F)c1,VGAZWSYCIAFSHV-UHFFFAOYSA-N
-rxn:4:219246:223502,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnn(CC4CN(C(=O)c5ccncc5)C4)c3)cc2F)CC1,FBCKRQRZDZHTJS-UHFFFAOYSA-N
-rxn:4:219253:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3C(=O)N3CC(Cn4ccnn4)C3)c(F)cc2C)CC1,IYASHFBNUXXBLC-UHFFFAOYSA-N
-rxn:4:219320:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnccc2OC2CCN(c3nccc(C(F)(F)F)n3)C2)CC1,BIYPLOLAZXDOHD-UHFFFAOYSA-N
-rxn:4:219372:226002,CC(=O)Oc1cc(-c2nn[nH]c2C2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-],SGOOTTKUFPACPF-UHFFFAOYSA-N
-rxn:4:219373:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,TVHGKTZMXYKXQP-UHFFFAOYSA-N
-rxn:4:219375:224612,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc(OCCN4CCOCC4)cc3)nn2)C1,JGZZLFUZEHHZNG-UHFFFAOYSA-N
-rxn:4:219410:223295,CS(=O)(=O)Nc1cncc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)c1,CBQJNSMCUAURPN-UHFFFAOYSA-N
-rxn:4:219436:225889,C[Si](C)(C)CCOCn1nccc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C#N)c1,PWPYZMJWKTYWPJ-UHFFFAOYSA-N
-rxn:4:219436:228362,N#Cc1cc(-c2cnc(Cl)nc2C2CC2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,XWEAIKRROMXGJJ-UHFFFAOYSA-N
-rxn:4:219453:225877,CC(C)N1CCC(N2CC(Cn3cc(-c4ccc(Cl)cc4N4CCOCC4)cn3)C2)C1=O,LATNIJJMHHUROH-UHFFFAOYSA-N
-rxn:4:219463:223532,Cc1cc(OCC2CCN(c3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)ccn1,IWBHZPVUKVTOOX-UHFFFAOYSA-N
-rxn:4:219498:225428,CCCCC(=O)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c(C)c1,FIBJJMYUEAKKEV-UHFFFAOYSA-N
-rxn:4:219500:223439,N#Cc1cc(-c2cc(C(F)(F)F)[nH]n2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,VDXHGMYRKBYNOV-UHFFFAOYSA-N
-rxn:4:219501:227275,CCCOc1c(F)cccc1-c1cnc(SC)nc1N1CCOC(C(=O)N2CCOCC2)C1,GPGYZDKJTUJYAW-UHFFFAOYSA-N
-rxn:4:219506:222958,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)cc1C1CCNCC1,MFMBLOUGJCMINE-UHFFFAOYSA-N
-rxn:4:219506:222959,Cc1cc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)ccc1C1CCNCC1,XCEKIDWNPQOGBS-UHFFFAOYSA-N
-rxn:4:219506:224848,CC[C@H]1CC[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)cc2)CC1,PGBLCMPUZLOAAR-YHBQERECSA-N
-rxn:4:219506:224877,O=S(=O)(c1ccc(-c2ccc(COC3CCCCC3)cc2)cc1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,JVSLBNDNWFXCJB-UHFFFAOYSA-N
-rxn:4:219506:226425,CC1CCCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)s1,QFDRYAIGMODWEC-UHFFFAOYSA-N
-rxn:4:219529:227611,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1ccnn1C1CCCCO1,ZTJXGZDRTWYRSN-UHFFFAOYSA-N
-rxn:4:219530:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cnc(OC4CCN(C5CCN(C6CC6)C5=O)CC4)nc3)c2F)C1,CNACPIDRHYJFDE-UHFFFAOYSA-N
-rxn:4:219540:223491,Cc1cc(N(C)C2CCN(C(=O)c3ccccc3-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)CC2)ncn1,LPFRFBNHOWQXEK-UHFFFAOYSA-N
-rxn:4:219562:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cncc(C(=O)N4CCC(N5CC(=O)N(c6ccccc6)C5=O)CC4)c3)c2)C1,CMRITMFWFWVUNZ-UHFFFAOYSA-N
-rxn:4:219562:225181,O=C(c1cncc(-c2cccc(CN3CCOCC3)c2F)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,VWHIUCCSWTURNX-UHFFFAOYSA-N
-rxn:4:219653:224290,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(Cl)cc4OCCN4CCOCC4)nc3s2)CC1,YVQGJGBYTFOLMW-UHFFFAOYSA-N
-rxn:4:219654:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)CC1,LAEXWIIHDFEFLL-UHFFFAOYSA-N
-rxn:4:219654:224396,Cc1cc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)ccc1S(=O)(=O)N1CCOCC1,LGDHZQRWPMURDL-UHFFFAOYSA-N
-rxn:4:219654:224672,CCN1CCN(c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c(Cl)c2)CC1,DIAHIWLJQHBHLC-UHFFFAOYSA-N
-rxn:4:219687:223769,CC(C)(C)OC(=O)N1CCC(n2nnc3ccc(-c4cc5cccc(C#N)c5n4C(=O)OC(C)(C)C)cc32)CC1,RCOKEVFEUIBGPW-UHFFFAOYSA-N
-rxn:4:219688:223059,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(N5CCNCC5)cc4Cl)cn3n2)CC1,OSJQCPYUPBUPJF-UHFFFAOYSA-N
-rxn:4:219688:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)nn3c2)c1,LMNJSDJMEKPKEX-UHFFFAOYSA-N
-rxn:4:219704:225976,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccnc(N5CCOCC5)c4F)cc3n2)CC1,YDZXTUAJMFDPKJ-UHFFFAOYSA-N
-rxn:4:219707:225637,CN1CCN(c2ccccc2-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)CC1,BCBSMSGJCPGENZ-UHFFFAOYSA-N
-rxn:4:219718:224249,Cc1cc(OC2CN(C(=O)c3c4ccc(-c5cc(C(=O)N6CCCC(C)C6)ccc5F)cc4nn3C)C2)cc(=O)n1C,INSWMDZWGOJTEX-UHFFFAOYSA-N
-rxn:4:219745:223834,COc1ccc(-c2cc(C)c(S(=O)(=O)N3CCN(C)CC3)c(C)c2)c(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c1,IHIUDUPGMVHHJQ-UHFFFAOYSA-N
-rxn:4:219750:225537,CCN(CC)Cc1ccc(F)c(-c2ccc(OC)cc2C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,DQVDKHUIYIFGAB-UHFFFAOYSA-N
-rxn:4:219762:224200,CC(=O)C1=C(c2ccc(-c3cc(OCc4cccnc4)c(Cl)cc3C)cc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1,CFZFARYSLUKZKU-UHFFFAOYSA-N
-rxn:4:219868:223687,CCN1CCN(c2c(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cncc2[N+](=O)[O-])CC1,PKXRNNZOYIOWFU-UHFFFAOYSA-N
-rxn:4:219909:223504,Cn1cnc(N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)C2)cc1=O,ILMUOYMAXYHREQ-UHFFFAOYSA-N
-rxn:4:219910:223595,Cn1ccnc(N2CCC(Oc3ccncc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)C2)c1=O,MTSXDIBBSXRJAO-UHFFFAOYSA-N
-rxn:4:219959:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)cc2F)CC1,JXXVKCRWHXUROW-UHFFFAOYSA-N
-rxn:4:219959:226231,CCCCOc1ncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1C,MWDHTPPMYLQRQA-UHFFFAOYSA-N
-rxn:4:220039:224167,CN(Cc1ccc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)cc1)C(=O)OC(C)(C)C,LBOJQNNIUYDGHN-UHFFFAOYSA-N
-rxn:4:220040:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2nc3n(n2)CCN(C(=O)OC(C)(C)C)C3)cc1,OCASGIBYBWSESK-UHFFFAOYSA-N
-rxn:4:220171:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4nc(N5CCN(C(=O)c6nc7ccccc7s6)CC5)sc4c3)s2)CC1,ORZVMKMFBBFAKP-UHFFFAOYSA-N
-rxn:4:220268:224757,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccccc4-c4cc(Cl)cc(C(=O)N5CCOCC5)c4)c4ccccc4N23)c1C,OMXFNMZDONESDA-UHFFFAOYSA-N
-rxn:4:220415:224064,CC1CCCCN1c1cc(-c2cnc(N3CCN(C4CCC4)CC3)nc2)cc(C2CC2)c1,BCSLYOQIPSSZLX-UHFFFAOYSA-N
-rxn:4:220429:224863,CC(C)N(Cc1ccccc1-c1cnc(N2CCCN(C3CCOC3)CC2)nc1)C(C)C,NJPUFGJGYHUDRU-UHFFFAOYSA-N
-rxn:4:220533:225294,CCN1CCN(c2ncc(-c3cnc(N4CC(N5CC6CCCC6C5)C4)nc3)cn2)CC1,DOGVVZJYTIEAJA-UHFFFAOYSA-N
-rxn:4:221100:225574,COC(=O)c1cc(C2CC2)ccc1-c1cnc(OCC2CCN(C(=O)c3cn(C)nc3OC)CC2)nc1,QXZVDEYHXVVFFR-UHFFFAOYSA-N
-rxn:4:221105:224396,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cn3)C2)nc1C,FUFUFUSTAPVGDD-UHFFFAOYSA-N
-rxn:4:221105:225177,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(CN5CCSCC5)c(F)c4)cn3)C2)nc1C,FMSYESANQIZLMM-UHFFFAOYSA-N
-rxn:4:221105:225979,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cnc(N5CCOCC5)c(Cl)c4)cn3)C2)nc1C,NBINSVKQHSEEMP-UHFFFAOYSA-N
-rxn:4:221105:226506,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(OCC5CC5)ncc4F)cn3)C2)nc1C,MSRGMVAOFNSRKW-UHFFFAOYSA-N
-rxn:4:221113:226725,O=C(Cc1ccccc1-c1cccc(OCC(F)(F)F)c1)N1CCN(Cc2nncn2C2CCCCC2)CC1,GBFCWBVYATUKIU-UHFFFAOYSA-N
-rxn:4:221141:222514,COc1ccc(-c2cnccc2OC2CCN(c3nc(SC)ncc3C#N)C2)cc1S(=O)(=O)NC1CCCCC1,GCFHCJWSOUUUCS-UHFFFAOYSA-N
-rxn:4:221143:223531,CC(C)c1noc(CN2CC(Cn3cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cn3)C2)n1,SQRSLBJKCBNCNT-UHFFFAOYSA-N
-rxn:4:221152:223812,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,FPJBQJCKDYVRLI-UHFFFAOYSA-N
-rxn:4:221157:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCN(CCn5ccnc5)CC4)c3)cc2)CC1,FCNISCHJWRCHGW-UHFFFAOYSA-N
-rxn:4:221173:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5ccc(=O)n(C)n5)C4)nc3)c(F)c2)CC1,KHYVTICGCOBMQH-ANRZFKABSA-N
-rxn:4:221179:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)c2)CC1,GCANAAZFCRPZQD-UHFFFAOYSA-N
-rxn:4:221180:222546,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)nn1C,NDPWYXCZRDUNOK-UHFFFAOYSA-N
-rxn:4:221181:224592,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)C2)nn1C,JNBFRGLSSOQOSX-UHFFFAOYSA-N
-rxn:4:221185:224373,COc1ccc(-c2cnc(OCC3CCN(c4nc(C)cc(C)c4C#N)CC3)nc2)cc1S(=O)(=O)N1CCCC1,BNPWQWPPYXIIGU-UHFFFAOYSA-N
-rxn:4:221185:225296,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cn3)CC2)n1,YJVPKGKFXZDPRI-UHFFFAOYSA-N
-rxn:4:221227:224303,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc(OCC3CCCN(C(=O)c4ccc5nccnc5c4)C3)nc2)c(F)c1F,BZNSAKCXMYXONN-UHFFFAOYSA-N
-rxn:4:221244:223695,O=C(Cc1ccccc1-c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1,HLIOISZKZBDLRU-UHFFFAOYSA-N
-rxn:4:221245:225305,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5cnc(C6CCC6)c(C(F)(F)F)c5)c4)CC3)nn2c1C,ZNSIVVXDHIWDOP-UHFFFAOYSA-N
-rxn:4:221247:224592,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4cc(C5(C#N)CCCCC5)ccc4F)cc3)nc2n(C)c1=O,HGICGQCTQQQEDO-UHFFFAOYSA-N
-rxn:4:221267:225177,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(CN4CCSCC4)c(F)c3)cc2)n(C)c1=O,MXLGDCODWHGJHR-UHFFFAOYSA-N
-rxn:4:221320:222612,Cn1nc(C(=O)N2CC(Cn3cc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cn3)C2)ccc1=O,GYQJYIYGZFJTEQ-UHFFFAOYSA-N
-rxn:4:221351:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)c(F)cc2C)CC1,SYFCUVJCLZKVRJ-UHFFFAOYSA-N
-rxn:4:221369:223812,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cn3)C2)ccc1=O,RFALUIRCBNQUDV-UHFFFAOYSA-N
-rxn:4:221374:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(OCC3CCCN(c4nccn(C)c4=O)C3)nc2)CC1,IXGVSSQUTFXJAJ-UHFFFAOYSA-N
-rxn:4:221406:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cccc(CN3CCN(c4cc(N(C)C)ncn4)CC3)c2)c(C(F)(F)F)c1,VTOXIRNPOISRQQ-UHFFFAOYSA-N
-rxn:4:221422:226844,O=C(c1cc(-c2ccnc(C(=O)C(F)(F)F)c2)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,IUCSWQRTRMQNLY-UHFFFAOYSA-N
-rxn:4:221427:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1C,XJQBAGIAAXXJOU-UHFFFAOYSA-N
-rxn:4:221429:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)c1,ZSFOEGLQOKWCOE-UHFFFAOYSA-N
-rxn:4:221442:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3CN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)ccc2C)CC1,VWVRAUBBXGRTIT-UHFFFAOYSA-N
-rxn:4:221455:222530,Cc1ccccc1CNC(=O)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCCC5)nn4)CC3)cc2)c1,VJKUDUHZSLUQBX-UHFFFAOYSA-N
-rxn:4:221456:227710,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OS(C)(=O)=O)cc4)cc3)CC2)n1,BNEAWUWCDLIHKM-UHFFFAOYSA-N
-rxn:4:221522:223671,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)cnc2c1,VDXCNDJPLWRVNY-UHFFFAOYSA-N
-rxn:4:221528:225312,CC(C)c1sc(-c2cnc(N3CCCN(C)CC3)nc2)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1,NRWCYLKXSPITSU-UHFFFAOYSA-N
-rxn:4:221659:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnn(CC4CN(c5cnc6ccccc6n5)C4)c3)c2)CC1,PDTJIGXNIWSJSM-UHFFFAOYSA-N
-rxn:4:221726:223063,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cc(F)nc(C4CCNCC4)c3)cn2)CC1,PLZISDJGJWBNGD-UHFFFAOYSA-N
-rxn:4:221728:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc4nc(N5CCC(c6nn(C)c(=O)n6C6CC6)CC5)sc4c3)c2)CC1,DNGBJCPRJPVHKK-UHFFFAOYSA-N
-rxn:4:221728:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCC(c6nn(C)c(=O)n6C6CC6)CC5)sc4c3)cc2)CC1,PSQYKRYEZNNPQS-UHFFFAOYSA-N
-rxn:4:221757:223834,Cc1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,BIWLJEMZJWBMCH-UHFFFAOYSA-N
-rxn:4:221763:224970,CC(C)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2)n(C)c1=O,MVZIWOGESPHUQW-UHFFFAOYSA-N
-rxn:4:221831:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(N4CCN(c5nccn6nccc56)CC4)c3)cc2[N+](=O)[O-])CC1,GWCILGUKJYFDCC-UHFFFAOYSA-N
-rxn:4:221836:223892,CN1CCN(CCCOc2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,FFGFPPZABIUZOF-UHFFFAOYSA-N
-rxn:4:221960:224669,CN1CCN(Cc2ccc(-c3cccc(C(=O)N4CCC(n5cc(-c6nc(C7CC7)no6)nn5)CC4)c3)c(F)c2)CC1,WJQFUZYFOHVUHL-UHFFFAOYSA-N
-rxn:4:221965:228232,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(Cl)c(C6CC6)c5)cc4)CC3)nn2)CC1,AVCHJXCODJIKHD-UHFFFAOYSA-N
-rxn:4:221981:226499,CC(C)c1ccc(N2C(=O)C3N=NN(Cc4nc(-c5cccc(-c6cccn6C(=O)OC(C)(C)C)c5)no4)C3C2=O)cc1,VJGSRJNHHJGHIJ-UHFFFAOYSA-N
-rxn:4:221985:223954,Cn1cc(-c2nc3cnc(-c4ccc(OCCN5CCC(=O)CC5)c(F)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,BCVXFMFRZXGUTG-XMMPIXPASA-N
-rxn:4:221985:224404,Cn1cc(-c2nc3cnc(-c4ccc(S(=O)(=O)N5CCOCC5)c(F)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,VHPYQFZGVUFTPE-JOCHJYFZSA-N
-rxn:4:221985:224617,Cn1cc(-c2nc3cnc(-c4ccc(OCCN5CCCC5)c(Cl)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,KSGKOTKMHCDGCI-XMMPIXPASA-N
-rxn:4:221985:225000,Cn1cc(-c2nc3cnc(-c4ccc(CN5CCCCC5)c(F)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,DRUDEUHIZNSWPO-RUZDIDTESA-N
-rxn:4:221985:225171,Cn1cc(-c2nc3cnc(-c4cc(F)cc(CN5CCOCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,SOVKUZGSCUBPBR-RUZDIDTESA-N
-rxn:4:221985:225176,Cn1cc(-c2nc3cnc(-c4ccc(CN5CCOCC5)c(Cl)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,SAIMVFUZHNXPQA-XMMPIXPASA-N
-rxn:4:221985:225180,Cn1cc(-c2nc3cnc(-c4ccc(C(=O)N5CCCC5)cc4Cl)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,QAJZEYLEZIBIIZ-JOCHJYFZSA-N
-rxn:4:221985:225181,Cn1cc(-c2nc3cnc(-c4cccc(CN5CCOCC5)c4F)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,XNQPCXVBSUMGQH-HSZRJFAPSA-N
-rxn:4:221985:225186,Cn1cc(-c2nc3cnc(-c4ccc(F)c(CN5CCSCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,ZFKSBJOUXSBJJZ-XMMPIXPASA-N
-rxn:4:221985:225187,Cn1cc(-c2nc3cnc(-c4cc(Cl)ccc4CN4CCOCC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,UMVGAQYGBHJLOV-XMMPIXPASA-N
-rxn:4:221985:225188,Cn1cc(-c2nc3cnc(-c4ccc(Cl)c(CN5CCOCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,SAKDUTSQPCXAAB-XMMPIXPASA-N
-rxn:4:221985:225196,Cn1cc(-c2nc3cnc(-c4cc(Cl)c(F)c(OC5CCCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,NRMFAODQPPXPII-OAQYLSRUSA-N
-rxn:4:221985:225320,Cn1cc(-c2nc3cnc(-c4ccc(N5CCOCC5)c(F)c4F)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,FCQZELOJRBUHBF-HXUWFJFHSA-N
-rxn:4:221985:225769,Cn1cc(-c2nc3cnc(-c4cc(OCC5CC5)c(F)cc4F)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,HEQHMAHMTQBTPT-HXUWFJFHSA-N
-rxn:4:221985:225859,Cn1cc(-c2nc3cnc(-c4cnc(N5CCCCC5)c(Cl)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,ZOBRQEFDANDDHA-JOCHJYFZSA-N
-rxn:4:221985:225869,Cn1cc(-c2nc3cnc(-c4ccc(N5CCOCC5)c(Cl)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,WQCSJCFPMJSIPP-JOCHJYFZSA-N
-rxn:4:221985:225878,Cn1cc(-c2nc3cnc(-c4cc(Cl)cc(N5CCOCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,GJWRQLGWOONMAD-HSZRJFAPSA-N
-rxn:4:221985:225975,Cn1cc(-c2nc3cnc(-c4ccnc(N5CCOCC5)c4Cl)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,GYGMMSHUDNEFFI-HXUWFJFHSA-N
-rxn:4:221985:226506,Cn1cc(-c2nc3cnc(-c4cc(OCC5CC5)ncc4F)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,OKZSZHFIHRUJLV-HXUWFJFHSA-N
-rxn:4:222002:223901,CC1CCN(CCOc2ccc(-c3cnc(N4CCC(N(C)c5ncc(Cl)cn5)CC4)c(C#N)c3)cc2Cl)CC1,VPWGZWMTZSKWIH-UHFFFAOYSA-N
-rxn:4:222039:223524,COc1ccc2c(c1)c(-c1ccc(-n3cnnn3)c(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c1)cn2S(=O)(=O)c1ccc(C)cc1,FHCGLIZKORJUBS-UHFFFAOYSA-N
-rxn:4:222054:224396,Cc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)ccc1S(=O)(=O)N1CCOCC1,BDCXDCDJJDRYHX-UHFFFAOYSA-N
-rxn:4:222054:226514,CCc1cnc(C(=O)OC)cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)o1,BMSBKZRGUHTELB-UHFFFAOYSA-N
-rxn:4:222054:226515,CCc1ncc(C(=O)OC)cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)o1,WIBMACGFVKRBHS-UHFFFAOYSA-N
-rxn:4:222055:224325,Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5ccc(C6=CCN(S(C)(=O)=O)CC6)cc5)c4)CC3)nn2)n1,SQLPGPGUMVMOSQ-UHFFFAOYSA-N
-rxn:4:222062:224404,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)c(F)c4)cc3)CC2)n1,HIPWZAVXMYWKOZ-UHFFFAOYSA-N
-rxn:4:222062:225433,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(CSC5CCCC5)cc4)cc3)CC2)n1,HRKMJBHPGGNWLC-UHFFFAOYSA-N
-rxn:4:222062:227000,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4OCC4CC4)cc3)CC2)n1,PGBVQQRZVUWOJZ-UHFFFAOYSA-N
-rxn:4:222062:227001,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(SCC5CC5)c4)cc3)CC2)n1,NAKJDVYBKHGCGI-UHFFFAOYSA-N
-rxn:4:222089:225111,COc1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c(F)c1OCC(C)C,CRTUNYIRFGEABP-UHFFFAOYSA-N
-rxn:4:222108:225759,CCN(C)C(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1F,NLDHTHFRSIVCEZ-UHFFFAOYSA-N
-rxn:4:222120:222581,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(S(=O)(=O)NC(C)C)c7ccccc67)cc5)no4)C3C2=O)cc1C,IHKKFBUYBPKTBV-UHFFFAOYSA-N
-rxn:4:222161:223810,Cc1cc(-c2cnc(N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,HTZQPIJLPBFERG-UHFFFAOYSA-N
-rxn:4:222161:223834,Cc1cc(-c2cnc(N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,SNYIHRZXOFWKBR-UHFFFAOYSA-N
-rxn:4:222161:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)nc1,KATAKCOZKZEXOO-UHFFFAOYSA-N
-rxn:4:222161:223840,COc1ccc(-c2cnc(N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,COIHHWNYGKKABT-UHFFFAOYSA-N
-rxn:4:222161:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)nc2)CC1,HTQMFOSNLVLTSC-UHFFFAOYSA-N
-rxn:4:222161:223992,Cc1ccc(-c2cnc(N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,FBCKBGLAFAUTNX-UHFFFAOYSA-N
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-rxn:5:177190:223135:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cccnc2C2CCCNC2)c1,RIKDVOARBFRHGY-UHFFFAOYSA-N
-rxn:5:177190:225805:227656,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCOCC3)cs2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,IAZDKUQUEUUSSH-UHFFFAOYSA-N
-rxn:5:177190:226590:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2ccc(OC3CCOC3)nc2)c1,XXMUBLUTGREMPY-UHFFFAOYSA-N
-rxn:5:177191:222998:225601,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4cc(F)cc(C5CCCNC5)c4)c3)c(F)c2)CCC1,OEEJGDWLQSVUAB-UHFFFAOYSA-N
-rxn:5:177191:223006:225603,N#CC1(c2cccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(F)c(C5CCNCC5)c4)c3)c2F)CCC1,WTCKXAXETKDIEV-UHFFFAOYSA-N
-rxn:5:177730:223062:225439,CC(c1cccc(-c2ccc(-c3cnc(C4CCNCC4)cc3F)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,AMZKLCUEKQNTGN-UHFFFAOYSA-N
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-rxn:5:177731:223054:223135,CC(c1ccc(-c2cc(-c3cccnc3C3CCCNC3)ccc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,FINUUFHWVTVJOC-UHFFFAOYSA-N
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-rxn:5:177851:227289:225666,CCOc1c(-c2cc(F)cc(N3CCCCC3)c2)cc(C2OCCO2)cc1-c1cccnc1OC(C)(C)C,VEGJVNCFHAMNOR-UHFFFAOYSA-N
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-rxn:5:177891:223133:223355,CNC(=O)c1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccccc1N1CCNCC1,LLOYOWXQJGQOAW-UHFFFAOYSA-N
-rxn:5:177891:223135:223384,CNC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2C2CCCNC2)cn1,UNLXFAJGJVANSD-UHFFFAOYSA-N
-rxn:5:177891:223138:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1ccnc(C2CCNCC2)c1,BQXAIMVEXUUBEA-UHFFFAOYSA-N
-rxn:5:177891:223139:227992,O=C(SC1CS(=O)(=O)CC1c1ccc(C2COC2)cc1)c1ccccc1-c1ccc(C2CCNCC2)nc1,HZIJESIDDJFBSA-UHFFFAOYSA-N
-rxn:5:177891:223142:223355,CNC(=O)c1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(C2CCCNC2)nc1,OCZMLVICTRVEOW-UHFFFAOYSA-N
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-rxn:5:177891:223355:223133,CNC(=O)c1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccccc1N1CCNCC1,YPDDTQGREPDNLU-UHFFFAOYSA-N
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-rxn:5:177891:226590:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3CCOC3)nc2)s1)N1CCOCC1,WPSFSOHYGWQTHJ-UHFFFAOYSA-N
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-rxn:5:177891:227094:223289,CNS(=O)(=O)c1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cnccc1C1CCCC1,JHDGTVVOPWKOBY-UHFFFAOYSA-N
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-rxn:5:177891:227613:228119,CC(C)Sc1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnn(C3CCOCC3)c2)cn1,XNTCYCBUMAZYPA-UHFFFAOYSA-N
-rxn:5:177891:227656:223241,O=C(SC1CS(=O)(=O)CC1c1cncc(C2CCNC2)c1)c1ccccc1-c1cc(N2CCOCC2)cs1,GFNULXMULWJXIM-UHFFFAOYSA-N
-rxn:5:177891:228016:223287,CNS(=O)(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cc(C3CCCC3)cs2)cc1,WRTHCMLDBOXJIH-UHFFFAOYSA-N
-rxn:5:177891:228119:222987,Cc1nc(C2CCNCC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(SC(C)C)nc1,WBIMYUKZWGFDLW-UHFFFAOYSA-N
-rxn:5:177891:228580:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2C2CC2)s1)N1CCOCC1,NKMYZHUSDXEGQQ-UHFFFAOYSA-N
-rxn:5:177891:228583:225641,CC1CCCN(c2cc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C(C)C)c3)ccn2)C1,MHSMFMPPYYKQCL-UHFFFAOYSA-N
-rxn:5:177891:228628:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cc(C3CCC3)cs2)s1)N1CCOCC1,LVFGCHCQCDQEGD-UHFFFAOYSA-N
-rxn:5:178119:225982:223281,Cc1cc(C(=O)OC(C)(C)C)cc(-c2cnc(N3CCOCC3)cc2F)c1-c1ccc(C2(O)COC2)nc1,KMYDKVNYWZZFQJ-UHFFFAOYSA-N
-rxn:5:178226:226898:227432,Cc1nc(C2COC2)ccc1-c1cccc(OCC2CCCCC2)c1-c1cn(S(=O)(=O)N(C)C)nc1C,XZXVWFOZDXPQRB-UHFFFAOYSA-N
-rxn:5:178295:222405:228928,COC(=O)C1(c2cc(-c3cccnc3C(F)F)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,ZZOZCJIJSBEHLC-UHFFFAOYSA-N
-rxn:5:178295:223056:223068,COC(=O)C1(c2cc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)ccc2-c2ccc(N3CCC(O)CC3)nc2)CCC(=O)CC1,FJMUJRSUAHAGBC-UHFFFAOYSA-N
-rxn:5:178295:223087:227282,COC(=O)C1(c2cc(-c3cc(C#N)cnc3C(C)C)ccc2-c2cc(C(F)(F)F)cc3[nH]ncc23)CCC(=O)CC1,MKBHZCPXNJSQCO-UHFFFAOYSA-N
-rxn:5:178295:225512:227313,CCC(C)c1cc(-c2ccc(-c3cccc4cc([Si](C)(C)C)sc34)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,HXIWVSUUADOEJI-UHFFFAOYSA-N
-rxn:5:178295:225886:227076,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SSOYETCDAUFXPB-UHFFFAOYSA-N
-rxn:5:178295:226188:228447,COC(=O)C1(c2cc(-c3cccc(C(F)F)c3F)ccc2-c2cc(C)c([Si](C)(C)C)cc2C)CCC(=O)CC1,VNMDZZJGMOEIMJ-UHFFFAOYSA-N
-rxn:5:178295:226769:228279,CCc1cc(F)c(-c2ccc(-c3cc(C(=O)OC)cc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,JIWGFPGBBWAQBO-UHFFFAOYSA-N
-rxn:5:178295:227045:227079,COC(=O)C1(c2cc(-c3cc(CC(C)C)ccc3F)ccc2-c2cccc(SC(C)(C)C)c2)CCC(=O)CC1,GKPVQNNCSNUDQI-UHFFFAOYSA-N
-rxn:5:178295:227076:225512,CCC(C)c1ccc(F)c(-c2ccc(-c3cccc4cc([Si](C)(C)C)sc34)cc2C2(C(=O)OC)CCC(=O)CC2)c1,OFFGOBULNJNAOU-UHFFFAOYSA-N
-rxn:5:178295:227076:227591,CCC(C)c1ccc(F)c(-c2ccc(-c3ccc(C(F)F)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,YPDSYARETVKHRK-UHFFFAOYSA-N
-rxn:5:178295:227313:227052,CCC(C)c1cc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)cn1,WPIONZJTYXDPEY-UHFFFAOYSA-N
-rxn:5:178295:227409:227077,CCC(C)c1ccc(-c2ccc(-c3cc(C(C)(C)C)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,OPXCSJFPTGGCJJ-UHFFFAOYSA-N
-rxn:5:178295:227447:227933,CCc1ccc(OC)cc1-c1ccc(-c2c(F)ccc(C3CC3)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,BVFPHEMKMOWMBK-UHFFFAOYSA-N
-rxn:5:178295:227673:228564,CCC(C)c1ccc(-c2ccc(-c3cccc(C(C)(F)F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,XCAUJXYVTZYJTC-UHFFFAOYSA-N
-rxn:5:178295:227724:227312,CCC(C)c1ccc(-c2ccc(-c3cc(OC(F)F)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,XFLQQINOGLGLCC-UHFFFAOYSA-N
-rxn:5:178295:227819:226191,CCc1cc(CC)cc(-c2ccc(-c3cc(C4CCCC4)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,JNVSEJMXZSVBDZ-UHFFFAOYSA-N
-rxn:5:178295:228567:226188,CCC(C)c1sccc1-c1ccc(-c2cc(C)c([Si](C)(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,RDBUUNCWNPMYPY-UHFFFAOYSA-N
-rxn:5:178313:225453:226918,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc(C3=CCCC3)cc2)c1,PJWPCEGPCOWFJE-UHFFFAOYSA-N
-rxn:5:178313:225498:227103,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCCC3)ccc2F)c(-c2sccc2C2CCCCC2)c1,JFALGRXLGBQQPJ-UHFFFAOYSA-N
-rxn:5:178313:225499:227207,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCC3)cc2F)c(-c2cccc3c2OCCC3=O)c1,PXLKSNNUKNOQAC-UHFFFAOYSA-N
-rxn:5:178313:225499:228016,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCC3)cc2F)c(-c2cc(C3CCCC3)cs2)c1,FLSAWRQEZLFTPW-UHFFFAOYSA-N
-rxn:5:178313:226155:226060,CC(=O)c1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cc(C3CC3)cc(C3CC3)c2)cc(C2CC2)c1,NRFVAZCOFBNSTG-UHFFFAOYSA-N
-rxn:5:178313:226191:226155,CC(=O)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cc(C3CCCC3)ccc2F)cc(C2CC2)c1,ASKDZNYNKNCYRW-UHFFFAOYSA-N
-rxn:5:178313:226915:225671,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCC3)cc2)c(-c2cc(C3CCCCC3)ncc2F)c1,QYXABMNZCLOICQ-UHFFFAOYSA-N
-rxn:5:178313:227047:225679,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCC3)c2)c(-c2ccc(N3CCCCC3)cc2F)c1,HVHHKNHPMPOWQJ-UHFFFAOYSA-N
-rxn:5:178314:225453:227045,CC(C)(C)Sc1cccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2O[Si](C)(C)C(C)(C)C)c1,CWXJRHUCAJQKOA-UHFFFAOYSA-N
-rxn:5:178314:225453:227069,COc1ccc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2O[Si](C)(C)C(C)(C)C)c(C(C)C)c1,SARAEABFGVQATG-UHFFFAOYSA-N
-rxn:5:178314:226060:226064,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CC3)cc(C3CC3)c2)ccc1-c1ccc(C2CCCCC2)cc1,PLKITHOHJYVYKH-UHFFFAOYSA-N
-rxn:5:178314:226067:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCCC3)cc2)ccc1-c1cccc(SC2CCCCC2)c1,VSESDYKCVFGMKF-UHFFFAOYSA-N
-rxn:5:178314:226191:226061,CC(C)c1cc(-c2ccc(-c3cc(C4CCCC4)ccc3F)cc2O[Si](C)(C)C(C)(C)C)cc(C2CC2)c1,SNMUJOJIBMMULC-UHFFFAOYSA-N
-rxn:5:178314:227094:225499,CC(C)(C)[Si](C)(C)Oc1cc(-c2cnccc2C2CCCC2)ccc1-c1ccc(C2CCCCC2)cc1F,QSPSTLBPIADZSZ-UHFFFAOYSA-N
-rxn:5:178314:227107:225394,Cc1cc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)c(O[Si](C)(C)C(C)(C)C)c2)c(F)c(C2CC2)c1,TUVTXGCFUUCICI-UHFFFAOYSA-N
-rxn:5:178315:225450:226922,Cc1cc(C2CC2)cc(C)c1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(C(=O)C3CCCC3)cc2)c1,CWXBVMJSADFIQU-UHFFFAOYSA-N
-rxn:5:178315:225814:227413,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3(C(F)(F)F)CC3)c2)cc(-c2cnc(C3CCC3)cc2F)c1,GMSWOLAFDDORJH-UHFFFAOYSA-N
-rxn:5:178368:223008:222988,Cc1cc(-c2c(C)cc(OS(=O)(=O)c3cc(C)c(-c4cc(C5CCNCC5)ccc4F)cc3C)cc2C)cc(C2CCNCC2)n1,KAYJNBOAZSVZRZ-UHFFFAOYSA-N
-rxn:5:178466:223061:223062,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,QSMYBUBFTSOWRN-UHFFFAOYSA-N
-rxn:5:178466:225655:225980,CC1CCN(c2cncc(-c3ccc4c(-c5cc(N6CCOCC6)ncc5F)c(C(=O)OC(C)C)sc4c3)c2)CC1,PYEWFJMHWQPQRM-UHFFFAOYSA-N
-rxn:5:178466:225656:225833,CC(C)OC(=O)c1sc2cc(-c3cncc(N4CCCCC4C)c3)ccc2c1-c1ccnc(N2CCCCC2)c1F,UUJVISZDJBMYLS-UHFFFAOYSA-N
-rxn:5:178466:225976:223065,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccc(N2CCNCC2)cc1F,NVYRWAPTRZVVKG-UHFFFAOYSA-N
-rxn:5:178467:223058:223016,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,BDOSJSPWMGHHTN-UHFFFAOYSA-N
-rxn:5:178467:223061:228320,CCOC(=O)C1=Cc2cc(-c3ccnc(C(=O)OC)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,FAIUQTQWHSRSNH-UHFFFAOYSA-N
-rxn:5:178467:223062:227976,CCOC(=O)C1=Cc2cc(-c3ccc([Si](C)(C)C)cc3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,ZYHVUNAPXIYJOC-UHFFFAOYSA-N
-rxn:5:178467:223064:228321,CCOC(=O)C1=Cc2cc(-c3cncc(C(=O)OC)c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,PIZDDPREBXGVLC-UHFFFAOYSA-N
-rxn:5:178467:223143:222986,CCOC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCCNC4)c3)cc(-c3cccc(N4CCC(O)C4)c3)c2OC1,GVIVLHDVXDFPJN-UHFFFAOYSA-N
-rxn:5:178467:223281:223131,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,KTFIALXXMGACLS-UHFFFAOYSA-N
-rxn:5:178467:223294:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,VFYJMHCIOCNKFB-UHFFFAOYSA-N
-rxn:5:178467:223378:225576,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCCC4)c(C#N)c3)cc(-c3cnc4c(c3)NCCO4)c2OC1,ZTEIDGCTTWBAOL-UHFFFAOYSA-N
-rxn:5:178467:225784:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccc(CN4CCOCC4)nc3)c2OC1,RGIYPXIXOUZHCX-UHFFFAOYSA-N
-rxn:5:178467:225834:228692,CCOC(=O)C1=Cc2cc(-c3ccc(CN(C)C)s3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,IDYJEVBLJJCIRZ-UHFFFAOYSA-N
-rxn:5:178467:226661:228879,CCOC(=O)C1=Cc2cc(-c3ccnn3C3COC3)cc(-c3cc(N4CCN(C)CC4)cs3)c2OC1,MNOYBSBGUKDCTL-UHFFFAOYSA-N
-rxn:5:178467:227701:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3cc(C(=O)OC)ncc3F)c2OC1,OXDKRSOYIXVQHZ-UHFFFAOYSA-N
-rxn:5:178467:228321:223000,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)c(F)c3)cc(-c3cncc(C(=O)OC)c3)c2OC1,DTIKEGQTGDNIGJ-UHFFFAOYSA-N
-rxn:5:178467:228321:223058,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3cncc(C(=O)OC)c3)c2OC1,SJDLPOWERXQCPK-UHFFFAOYSA-N
-rxn:5:178467:228321:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cncc(C(=O)OC)c3)c2OC1,ZQUHKYXCLGHFCB-UHFFFAOYSA-N
-rxn:5:178467:228457:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cnc(C(=O)OC)nc3)c2OC1,CFRCEIDFHXZDRB-UHFFFAOYSA-N
-rxn:5:179418:223054:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(C(C)N3CCC(O)C3)s2)s1)N1CCOCC1,SZOQYYDBQCMICP-UHFFFAOYSA-N
-rxn:5:180022:225456:225986,COc1c(-c2ccccc2N2CCCS2(=O)=O)ccc(-c2ccc(C3CCN(C)CC3)cc2)c1C1OCCO1,LPTOJPGEXBABTL-UHFFFAOYSA-N
-rxn:5:180402:226144:226059,CC(C)c1ccc(-c2cc(-c3ccc(C#C[Si](C)(C)C)cc3)ccc2C(=O)C2CCCCC2)c(C(C)C)c1,IXZUIDXKWIAYFO-UHFFFAOYSA-N
-rxn:5:180506:225824:225886,CC(C)(C)c1cc(-c2cc(C3CC3)cc(C(F)(F)F)c2)c(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(C2OCCO2)c1,BVMMLVLUIFARNA-UHFFFAOYSA-N
-rxn:5:180602:223135:225926,COC(=O)C1Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3cccnc3C3CCCNC3)c2O1,GVAHHMPPZJLAGL-UHFFFAOYSA-N
-rxn:5:180602:225926:222988,COC(=O)C1Cc2cc(-c3cc(C)nc(C4CCNCC4)c3)cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)c2O1,IAOHUCRXKHBOEU-UHFFFAOYSA-N
-rxn:5:180602:226395:225980,COC(=O)C1Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cncc(N4CCCCC4)c3)c2O1,WOPZUKHCMADROA-UHFFFAOYSA-N
-rxn:5:180662:227325:223063,COC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3ccc(OC(C)(C)C)nc3)c2OC1,MVJPDABMRNHVNE-UHFFFAOYSA-N
-rxn:5:181907:225407:222981,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccnc(NC3CCCCC3)c2)c(C2OCCO2)c1,UFPHGTPSMOWJLB-UHFFFAOYSA-N
-rxn:5:181907:225589:222985,Cc1cc(-c2ccc(CN3CCSCC3)cc2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,SNGZCAFKCOWYAN-UHFFFAOYSA-N
-rxn:5:181907:225684:225514,Cc1cc(-c2ccc(C3CCOCC3)nc2C)c(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1,UBBPPUNFOJTLJM-UHFFFAOYSA-N
-rxn:5:181907:225805:227610,Cc1cc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccn(C3CCCCO3)n2)c(C2OCCO2)c1,HWUUHMHPLOYLFM-UHFFFAOYSA-N
-rxn:5:181908:225407:225638,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(N3CCC(C)CC3)nc2)cc1C1OCCO1,SAXUVWPUWZUOQL-UHFFFAOYSA-N
-rxn:5:181908:226185:225607,Cc1cc(-c2ccc(C3CCOCC3)cc2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,VDLUISNXKCYWBV-UHFFFAOYSA-N
-rxn:5:182011:223141:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1cncc(C2CCNCC2)c1,AIJRLHBWZHHWGI-UHFFFAOYSA-N
-rxn:5:182012:223138:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(C3CCNCC3)c2)cc1C1CCCOC1,IYDNPVYNCXABPV-UHFFFAOYSA-N
-rxn:5:182012:223147:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CNCCO3)cc2)cc1C1CCCOC1,ADUVRPWJLLFWIB-UHFFFAOYSA-N
-rxn:5:182012:225466:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCCCC3C)cc2)cc1C1CCCOC1,JFJRNLOUKUCYIC-UHFFFAOYSA-N
-rxn:5:182012:225832:226382,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnc(C3CCCCC3)nc2)c(C2CCCOC2)c1,SHCUUDFHAOCGSI-UHFFFAOYSA-N
-rxn:5:182013:223062:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1C1CCOCC1,QMKFXVMBDLAIPJ-UHFFFAOYSA-N
-rxn:5:188632:225980:223062,COC(=O)c1nc(OC)c(-c2cc(N3CCOCC3)ncc2F)cc1-c1cnc(C2CCNCC2)cc1F,QNCGEVPPBFMNJR-UHFFFAOYSA-N
-rxn:5:188787:225849:223002,O=[N+]([O-])c1cc(-c2cnc(N3CCCCC3)cc2F)c(-c2ccc(C3CCNCC3)cc2F)cc1OC1CC1,MNWXISGKZDLLRG-UHFFFAOYSA-N
-rxn:5:188867:225926:223062,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ncc1-c1ccc(S(=O)(=O)N2CCC2)cc1,MVBWUMMCDQMHKI-UHFFFAOYSA-N
-rxn:5:188868:225577:223063,CC(C)OC(=O)c1ccnc(-c2cc(F)nc(C3CCNCC3)c2)c1-c1ccc(N2CCCC2)cc1C#N,SAZLNMRDXGFJHT-UHFFFAOYSA-N
-rxn:5:188931:227438:223006,COC(=O)c1cc(-c2ccnc(C3CCOC3)c2)cc(S(N)(=O)=O)c1-c1ccc(F)c(C2CCNCC2)c1,PGRDFTPGUFBPJD-UHFFFAOYSA-N
-rxn:5:188931:227449:227449,COC(=O)c1cc(-c2ccc(C3CCOCC3)s2)cc(S(N)(=O)=O)c1-c1ccc(C2CCOCC2)s1,ZBKHGXAORVMZOL-UHFFFAOYSA-N
-rxn:5:189207:225833:228306,CC(C)Sc1ncc(-c2ccc(-c3ccnc(N4CCCCC4)c3F)cc2C(=O)ON2C(=O)CCC2=O)cn1,NSBJDSFMGIZUFE-UHFFFAOYSA-N
-rxn:5:189207:225833:228678,CC(C)Cn1nccc1-c1ccc(-c2ccnc(N3CCCCC3)c2F)cc1C(=O)ON1C(=O)CCC1=O,FSZMDPAEWUCBJB-UHFFFAOYSA-N
-rxn:5:189207:228125:226428,CC(C)Oc1cc(-c2ccc(-c3cc(N4CCCCC4C)cs3)c(C(=O)ON3C(=O)CCC3=O)c2)ccn1,PATRLWPTGYLRFB-UHFFFAOYSA-N
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-rxn:5:193755:226052:227704,COc1cnc(C(F)F)cc1-c1c(C(=O)N2CCCC(C)C2)cccc1-c1c(F)ccc(OC(F)(F)F)c1F,UWGAGSQAXKSGPF-UHFFFAOYSA-N
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-rxn:5:193869:227710:223201,Cc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(S(=O)(=O)N2CCCCC2)cc1-c1ccccc1C1CCNC1,NQRMSTNSVGEJGE-UHFFFAOYSA-N
-rxn:5:193870:223062:222987,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CCNCC3)nc2C)cc1-c1cnc(C2CCNCC2)cc1F,IAINVDJAYSULED-UHFFFAOYSA-N
-rxn:5:193870:223147:223311,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C3CNC3)c2)cc1-c1ccc(C2CNCCO2)cc1,SYLSDNPTLHUPQL-UHFFFAOYSA-N
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-rxn:5:193870:227780:226794,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(N3CCSCC3)nc2)cc1-c1c(F)ccc([N+](=O)[O-])c1F,SUSQHYQEQQPVDJ-UHFFFAOYSA-N
-rxn:5:193871:222405:227875,O=C1NC(=O)C(c2cccc(-c3cc(C(=O)N4CCC5(CC4)CC5)ccc3-c3cccc4c3CCCO4)c2)N1,JLTXHJAOUQWTOD-UHFFFAOYSA-N
-rxn:5:193871:225437:225833,O=C(c1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cccc(CN3CCCCC3)c2)c1)N1CCC2(CC1)CC2,IASBFWBYNYTZPS-UHFFFAOYSA-N
-rxn:5:193871:225591:226438,O=C(c1ccc(-c2cnc(C3CCCC3)cc2F)c(-c2cc(CN3CCCC3)ccc2F)c1)N1CCC2(CC1)CC2,HLLIZAXVCJNYGN-UHFFFAOYSA-N
-rxn:5:193871:226131:226332,O=C(c1ccc(-c2ccccc2C(=O)N2CCC2)c(-c2ccccc2CN2CCCC2)c1)N1CCC2(CC1)CC2,NUTDITYJKHUDCV-UHFFFAOYSA-N
-rxn:5:193871:226144:225886,C[Si](C)(C)C#Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc1,QVSPHKBRFTUEIH-UHFFFAOYSA-N
-rxn:5:193871:226182:225605,Cc1cnc(OC2CCCC2)c(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cccnc2C2CCCCC2)c1,DXTIBLIVKLDMJQ-UHFFFAOYSA-N
-rxn:5:193871:226444:228207,Cc1nc(C2CCCO2)ccc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1cc(C2CC2)cnc1F,PSYBQZQSAXWTIZ-UHFFFAOYSA-N
-rxn:5:193872:226969:227052,CC(C)(C)Sc1ccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc3c(c2)CCCC3=O)cc1,PTTOQDJTRSDXRV-UHFFFAOYSA-N
-rxn:5:193892:227363:226030,COc1c(F)cc(-c2ccc(C3SCC(=O)N(c4ccc(-c5cccc(F)c5OC(C)C)cc4)C3=O)cc2)cc1C(F)(F)F,JEUQHUZIEJWOQJ-UHFFFAOYSA-N
-rxn:5:193912:227042:226033,CCOc1cc(C)c(-c2ccc(N3C(=O)CS(=O)C(c4ccc(-c5cc(OC)c(F)c(C(F)(F)F)c5)cc4)C3=O)cc2)c(C)c1,PXVFWHOFSHFBSQ-UHFFFAOYSA-N
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-rxn:5:193972:223062:228385,Cc1cc(-c2cnc(C3CCNCC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc([N+](=O)[O-])c(C)c1,FKAAWGPSLDOHJM-UHFFFAOYSA-N
-rxn:5:193972:226424:223062,Cc1cc(-c2cc(N3CCCC(C)C3)cs2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnc(C2CCNCC2)cc1F,MUUMRCVMSGPLMS-UHFFFAOYSA-N
-rxn:5:193972:227710:223201,Cc1cc(-c2ccc(OS(C)(=O)=O)cc2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1C1CCNC1,LSGCPACFRUOXCW-UHFFFAOYSA-N
-rxn:5:193972:227816:227591,CCCc1ccc(-c2cc(C)c(-c3ccc(C(F)F)cc3OC)cc2S(=O)(=O)N2CCCCCC2)c(C)c1,NVMZSAHLBKWBJL-UHFFFAOYSA-N
-rxn:5:194058:223054:225799,CC(c1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2cncc(OC3CCOCC3)c2)s1)N1CCC(O)C1,KLFIDSDOJVZELR-UHFFFAOYSA-M
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-rxn:5:194414:225450:226144,C[Si](C)(C)C#Cc1ccc(-c2c(-c3ccc(C(=O)C4CCCC4)cc3)ccc3c2CCN3CC2CC2)cc1,LYCPNMRGAZGOHB-UHFFFAOYSA-N
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-rxn:5:194733:226593:223304,Cc1cc2cc(-c3ccc(-c4c(F)ccc(OC(C)C)c4F)cc3C(=O)N3C4CCC3CC(=C3CC3)C4)ccc2[nH]1,XHHMBPOMKFFOQB-UHFFFAOYSA-N
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-rxn:5:194767:222417:226588,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cc(OC3CCC3)ncc2F)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,KPKQDHYDKXDOTD-UHFFFAOYSA-N
-rxn:5:194767:227044:228000,COc1cc(C)c(C)cc1-c1ccc(-c2ccc(C(=O)C3CC3)cc2)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,GSSOASPHJKCENS-UHFFFAOYSA-N
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-rxn:5:194791:222409:223364,COc1ccc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5cnc6[nH]cc(F)c6c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1S(N)(=O)=O,ULMHUFNZIRBSIJ-UHFFFAOYSA-N
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-rxn:5:194791:227141:222984,N#Cc1ccc2sc(-c3ccccc3N3C(=O)C4C(c5ccc(-c6ccc(CN7CCC(O)C7)cc6)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cc2c1,HETHOFBEYKVAFJ-UHFFFAOYSA-N
-rxn:5:196408:225832:223142,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCNC3)nc2)ccc1C1=NOCCO1,YZAMDKBIEHOEBI-UHFFFAOYSA-N
-rxn:5:196408:226686:225438,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccc(C(C)N3CCCC3)cc2)ccc1C1=NOCCO1,ULZYRUAVORFXDH-UHFFFAOYSA-N
-rxn:5:196791:226395:225849,O=C1COCCN1c1cccc(-c2cncc(N3CCCCC3)c2)c1-c1cnc(N2CCCCC2)cc1F,BRNQPRIRFOLCGQ-UHFFFAOYSA-N
-rxn:5:196794:225976:226583,O=C1COCCN1c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(CN2CCOCC2)s1,RWTUNJHDPDRUIY-UHFFFAOYSA-N
-rxn:5:196869:222981:226686,Cc1cnn(C2CCCCO2)c1-c1cc(-c2ccnc(NC3CCCCC3)c2)ccc1N1CCOCC1,BEARJFNVMAFSQE-UHFFFAOYSA-N
-rxn:5:196971:226182:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccnc2C2CCCCC2)ncc1C1CCCCC1,HNBXUIWDPOHXBU-UHFFFAOYSA-N
-rxn:5:197876:223189:227818,CCC(C)c1cccc(-c2cc3c(cc2-c2ccc(NS(C)(=O)=O)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LDFDVUZRAKGDGD-UHFFFAOYSA-N
-rxn:5:197876:225395:228971,CC(C)(C)c1cc(-c2cc3c(cc2-c2csc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,FRABHQGFIOAVEG-UHFFFAOYSA-N
-rxn:5:197876:225455:227812,Cc1ccc(N2CCCCC2)cc1-c1cc2c(cc1-c1cccc(CC(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,JNNARCMWKVELIM-UHFFFAOYSA-N
-rxn:5:197876:225498:228181,COCc1cc(F)ccc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,MTJBIZUDPSVGBH-UHFFFAOYSA-N
-rxn:5:197876:225499:227893,CN(C)Cc1cccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DRWYYTIKFBNRHB-UHFFFAOYSA-N
-rxn:5:197876:225512:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1cccc3cc([Si](C)(C)C)sc13)S(=O)(=O)N(C(C)(C)C)C2=O,MULBMCKJTABTSG-UHFFFAOYSA-N
-rxn:5:197876:225591:225395,CC(C)(C)c1cc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,NUAPPFJUHDWMLR-UHFFFAOYSA-N
-rxn:5:197876:225591:227209,CC1(C)Oc2ccc(-c3cc4c(cc3-c3cc(CN5CCCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2O1,VXQKKVXXWGNMGB-UHFFFAOYSA-N
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-rxn:5:197876:225591:228759,CC(=O)c1ccc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,KYHSJIYVYOVUDU-UHFFFAOYSA-N
-rxn:5:197876:225601:225456,CN1CCC(c2ccc(-c3cc4c(cc3-c3ccc(C5(C#N)CCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,YFTAMSZNIVYEAZ-UHFFFAOYSA-N
-rxn:5:197876:225601:226175,Cc1cc(N2CCCC2)ccc1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XXBANPKCEXIWAW-UHFFFAOYSA-N
-rxn:5:197876:225601:227282,CC(C)c1ncc(C#N)cc1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YRVDQYLKQGBPCO-UHFFFAOYSA-N
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-rxn:5:197876:225601:228566,CC(C)Cc1sccc1-c1cc2c(cc1-c1ccc(C3(C#N)CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XFIXAGPIEWMZJP-UHFFFAOYSA-N
-rxn:5:197876:225602:226155,CC(=O)c1cc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,KROPRAHNTTUMQJ-UHFFFAOYSA-N
-rxn:5:197876:225602:227807,CC(C)(C)N1C(=O)c2cc(-c3cccc4c3CCCC4)c(-c3cc(C4(C#N)CCC4)ccc3F)cc2S1(=O)=O,GTPLOIXTWVXPOK-UHFFFAOYSA-N
-rxn:5:197876:225603:225456,CN1CCC(c2ccc(-c3cc4c(cc3-c3cccc(C5(C#N)CCC5)c3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,MNZKJDGPTARDGR-UHFFFAOYSA-N
-rxn:5:197876:225625:227946,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(OC4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,DUOOYJWDNCVIFK-UHFFFAOYSA-N
-rxn:5:197876:225674:228582,CC(C)c1ccncc1-c1cc2c(cc1-c1cnc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,MVXAEMJHFAEIMR-UHFFFAOYSA-N
-rxn:5:197876:225677:228791,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,NZQNXHDUDNLTOW-UHFFFAOYSA-N
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-rxn:5:197876:226762:227835,CSc1cc(-c2cc3c(cc2-c2ccc(C)c(C4CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,OZZLLLFCIORUDI-UHFFFAOYSA-N
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-rxn:5:197876:227045:225603,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cccc(C4(C#N)CCC4)c2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BBDUCMDKRNFKHI-UHFFFAOYSA-N
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-rxn:5:197876:227408:227209,CC1(C)Oc2ccc(-c3cc4c(cc3-c3cc(C5CCC5)ncc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2O1,NHLNDCHJXQTGHV-UHFFFAOYSA-N
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-rxn:5:197876:227589:227722,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2cccc(SC(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,WYRVVFISQHWOCX-UHFFFAOYSA-N
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-rxn:4:185111:222796,COC(=O)C1CCN(C(=O)Cc2ccc(F)cc2-c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)CC1,YPKBPEZUUIVNNI-UHFFFAOYSA-N
-rxn:4:185116:223538,O=C(CS(=O)(=O)c1ccccc1-c1ccnc2c1cc(C(F)F)n2S(=O)(=O)c1ccccc1)N1CCC(C(F)(F)F)CC1,YJYIKVYYELPWPJ-UHFFFAOYSA-N
-rxn:4:185144:222935,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)cc2)CC1,NNQMPQGHFZSUKY-UHFFFAOYSA-N
-rxn:4:185155:225095,CCOC(=O)c1ccc(OCC)c(-c2ccc(C(=O)OC)c(CN3CCC(C(F)(F)F)CC3)c2)c1,JYZDFEZRRKSIMB-UHFFFAOYSA-N
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-rxn:4:185166:224820,CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)c(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2)C1,NKGFHOMMSVUPRX-UHFFFAOYSA-N
-rxn:4:185182:223660,COc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)c(CN(C)CC2CCCC2)c1,OXVFEXANBYDLDE-UHFFFAOYSA-N
-rxn:4:185195:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1,IREJPHHTIQQJTN-UHFFFAOYSA-N
-rxn:4:185197:224716,Cc1ccc(-c2ccc(N(C)C(=O)OC(C)(C)C)nc2)cc1OC1CN(C(=O)OC(C)(C)C)C1,IDNGJTYHZRANBO-UHFFFAOYSA-N
-rxn:4:185199:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cc(CN3CCC(OC)CC3)cc(C(=O)OC)c2)cc1,XWTAZUAAGRIRMN-UHFFFAOYSA-N
-rxn:4:185200:223598,COC(=O)c1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)c(CN2CCC(OC)CC2)c1,AZWTXNFVKXHSHT-UHFFFAOYSA-N
-rxn:4:185243:225283,CCC(C)c1cc(-c2ccc(C(=O)N(CC(C)C)C3CCS(=O)(=O)C3)cc2)cnc1C(F)(F)F,LTMSXEYFJMKAQH-UHFFFAOYSA-N
-rxn:4:185271:223181,CCNS(=O)(=O)c1cccc(-c2ccc(C3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)c1,MWILPGDPJZVRIP-UHFFFAOYSA-N
-rxn:4:185275:224420,Cc1cc2c(cc1-c1cccc(CN(C(=O)c3ccccc3)C3CCS(=O)(=O)C3)c1)C(C)(C)CCC2(C)C,OAOGAPRTKSNBRE-UHFFFAOYSA-N
-rxn:4:185301:224491,Cc1ccc(-c2ccc(F)c(CN(C(C)C)C(C)C)c2)cc1OCCCN1CCC(C)CC1,HRJTYXPETXVPNX-UHFFFAOYSA-N
-rxn:4:185322:224312,CN1CCN(C(=O)c2cc(-c3ccc(Cl)c(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2F)CC1,ZRGLQKOXHIBLBE-UHFFFAOYSA-N
-rxn:4:185353:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)c1,QMDSXUOMTGQWFD-UHFFFAOYSA-N
-rxn:4:185353:225942,CC(C)c1ncc(-c2ccc(CC(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)cc2)cc1C(F)(F)F,ICNUGBPCKQSQOT-UHFFFAOYSA-N
-rxn:4:185354:224420,Cc1cc2c(cc1-c1ccccc1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)CCC2(C)C,OLFMDROFYJIZQN-UHFFFAOYSA-N
-rxn:4:185376:222988,Cc1cc(-c2ccccc2S(=O)(=O)N2CCCC(S(=O)(=O)CC(C)C)C2)cc(C2CCNCC2)n1,GPFIPJCKTPOQHP-UHFFFAOYSA-N
-rxn:4:185384:228347,CC(C)(C)OC(=O)N1CCCC(c2cc(C(F)(F)F)ccc2-c2cnc(N3CCC3)nc2)C1,DNEQTLZPHPEVER-UHFFFAOYSA-N
-rxn:4:185410:227052,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(SC(C)(C)C)cc3)c(C3CC3)c2)C1,QXASHRINWLDKDT-UHFFFAOYSA-N
-rxn:4:185411:223279,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4)nc3)cc2C2CC2)C1,KSPUPPKGLDDMDS-UHFFFAOYSA-N
-rxn:4:185414:224957,Cc1cc(Cl)cc(-c2ccccc2O[Si](C)(C)C(C)(C)C)c1OC1CCN(C(=O)OC(C)(C)C)CC1,MIAXGROOWKWRAX-UHFFFAOYSA-N
-rxn:4:185432:224502,Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1-c1cccc(OCC2CCCCN2C)c1,JPRIVCSBFNKYDP-UHFFFAOYSA-N
-rxn:4:185437:226189,CC(C)(C)[Si](C)(C)OC1CCN(Cc2cc(F)ccc2-c2ccc(C3CCCC3)c(F)c2)CC1,WWVSBFGPUNYQBG-UHFFFAOYSA-N
-rxn:4:185453:224845,CC(C)(C)c1cc(-c2cccc3c2cc(OS(=O)(=O)C(F)(F)F)n3CC(F)(F)F)cc(C(C)(C)C)c1,MOABPQMRKGWPMT-UHFFFAOYSA-N
-rxn:4:185468:223818,CC(C)(C)OC(=O)n1ccc2cc(OC(F)(F)F)cc(-c3c(F)cc(F)c4c3ccn4C(=O)OC(C)(C)C)c21,MHLDVRUMVAYJHQ-UHFFFAOYSA-N
-rxn:4:185519:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2ccc3c(c2)C(=O)C(=O)N3CCCOc2ccc(C)cc2)cc1C,BMUOYLVHTJRFAQ-UHFFFAOYSA-N
-rxn:4:185566:224188,CC(C)N(C(=O)c1ccc(-c2cc(F)c3ncc(CCO[Si](C)(C)C(C)(C)C)cc3c2)c(Cl)c1)C(C)C,BKMMROPSASBTFM-UHFFFAOYSA-N
-rxn:4:185597:224307,Cc1c(C(=O)N(Cc2ccc(Cl)cc2)C2CCS(=O)(=O)C2)oc2ccc(-c3c(F)cc(O[Si](C)(C)C(C)(C)C)cc3F)cc12,BBHONEKBZJQPAF-UHFFFAOYSA-N
-rxn:4:185619:223891,Cc1ccc2c(C)c(C(=O)N(Cc3cccc(-c4c(F)ccc5c4ccn5[Si](C)(C)C(C)(C)C)c3)C3CCS(=O)(=O)C3)oc2c1,LTSDASUPEDMQJE-UHFFFAOYSA-N
-rxn:4:185648:224158,CC(C)(C)OC(=O)n1ccc2cc(-c3ccc(S(=O)(=O)N(C(=O)C4CCCCC4)c4ccc5oc6c(c5c4)CCCC6)cc3)ccc21,DXSVIVGBCDLDLQ-UHFFFAOYSA-N
-rxn:4:186356:223573,COc1c(C(=O)N(C)OC)cc(F)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,DAGJLMPYDQOZQB-UHFFFAOYSA-N
-rxn:4:186590:223481,CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1F,VNBGQRZBNMOWOC-UHFFFAOYSA-N
-rxn:4:186643:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C#N)c(C4(C(=O)OC)CCC4)c3)ccc2OC)CC1,HKWPLVGIVWHQND-UHFFFAOYSA-N
-rxn:4:186658:225094,CCCOc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2OC)cc(Cl)c1OCC,JWSXKPWGWCDCOO-UHFFFAOYSA-N
-rxn:4:186742:225168,O=C(c1cc(OC(F)(F)F)cc(-c2ccc(CN3CCOCC3)c(F)c2)c1)N1CCCC1,AAXCMQPWSKCIQB-UHFFFAOYSA-N
-rxn:4:186746:224957,COC1CN(C(=O)c2cc(C(F)(F)F)ccc2-c2ccccc2O[Si](C)(C)C(C)(C)C)C1,JPXDRFILTHDHDD-UHFFFAOYSA-N
-rxn:4:186786:224318,CN1CCN(C(=O)c2ccc(-c3cccc(OCC4(C#N)CCOCC4)c3)cc2F)CC1,LBRRGKNGRHVLNW-UHFFFAOYSA-N
-rxn:4:186817:225879,O=C(c1cc(-c2ccc(N3CCOCC3)cc2F)ccc1OC(F)(F)F)N1CCOCC1,WMPUJZIHXNEPBK-UHFFFAOYSA-N
-rxn:4:186866:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2F)c1,NPQANZOAUFVSLJ-UHFFFAOYSA-N
-rxn:4:186868:222647,COC(=O)C(C)(c1ccc(F)c(-c2cc(C)c(NC(=O)OC(C)(C)C)cc2C)c1)N(C)C,BENFXHFYHSMKOS-UHFFFAOYSA-N
-rxn:4:186898:222721,FC(F)(F)Oc1ccc(CN2CCOCC2)cc1-c1cc(C2CCNCC2)nc(C(F)(F)F)c1,WZJRWIXYWXTQFU-UHFFFAOYSA-N
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-rxn:4:186909:224806,CN(C1CC1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2/C=N/S(=O)C(C)(C)C)c(F)c1,MGBFDYGRFWRRDT-UVHMKAGCSA-N
-rxn:4:186910:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2/C=N/S(=O)C(C)(C)C)c(F)c1,ZAMVAVJGOMRXOU-UVHMKAGCSA-N
-rxn:4:187003:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1ccc(OCC(=O)N2CCCC(F)(F)C2)cc1,IXRDSMVLSJEQKL-UHFFFAOYSA-N
-rxn:4:187005:225367,O=C(COc1cccc(-c2cnc(N3CCC(F)(F)CC3)nc2)c1)N1CCC(F)(F)CC1,XNSSTSRPSJYCIA-UHFFFAOYSA-N
-rxn:4:187006:224800,COC(=O)c1cc(-c2ccc(OC(F)(F)F)c(OC(C)C)c2)ccc1CN1CCC(F)(F)C1,ZHVWGZBQRFTUPI-UHFFFAOYSA-N
-rxn:4:187055:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cc(OCC4CCCCC4)cc([N+](=O)[O-])c3)c2)CC1,YGFOWKUKCOXUMO-UHFFFAOYSA-N
-rxn:4:187091:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)cc2)c1,AFLDFAZGXLQXSB-UHFFFAOYSA-N
-rxn:4:187117:223891,C#Cc1ccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)cc1N1CCC(C(=O)OC)CC1,CQSFCBOHRKXONZ-UHFFFAOYSA-N
-rxn:4:187129:224356,CC(C)(C)OC(=O)n1c(-c2ccccc2S(=O)(=O)CC(=O)N2CCCCC2)cc2sc(Cl)cc21,ONCCZJTZOMQCJY-UHFFFAOYSA-N
-rxn:4:187215:224930,CCN(CC)Cc1cc(-c2ccc(F)cc2CC(=O)N2CCC(OC)CC2)ccc1OC,UXNUBDIBXGFMRI-UHFFFAOYSA-N
-rxn:4:187248:223651,COC(=O)c1cc(CN2CCCC(F)(F)C2)cc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)nc2C)c1,BFKDPFQKFYSRNY-UHFFFAOYSA-N
-rxn:4:187254:225361,Fc1ccc(CCN2CCCC(C(F)(F)F)C2)cc1-c1cn(C2CCCC2)nc1C(F)(F)F,PTCTYCNFLSUTBH-UHFFFAOYSA-N
-rxn:4:187254:225802,Fc1ccc(CCN2CCCC(C(F)(F)F)C2)cc1-c1ccc(OC2CCCC2)nc1F,AEFQOAJHSOEQPH-UHFFFAOYSA-N
-rxn:4:187254:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1cc(CCN2CCCC(C(F)(F)F)C2)ccc1F,OFAYEYLMEBMAFI-UHFFFAOYSA-N
-rxn:4:187266:226099,CCCCOc1ccc(C)c(-c2cc(C(=O)N3CCCC(C(F)(F)F)C3)cc(Cl)c2OC)c1,MSUZXNSJMUUQRH-UHFFFAOYSA-N
-rxn:4:187270:222406,CCNC(=S)Nc1cccc(-c2ccc(C(F)(F)F)cc2CN2CCCC(C(F)(F)F)C2)c1,OLQZKSSJFZBYMN-UHFFFAOYSA-N
-rxn:4:187276:225426,CCN(CC)C(C)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc1,LEEHEASSTZDWKE-UHFFFAOYSA-N
-rxn:4:187333:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(C(=O)c4ccccc4CN4CC=CC4)c3)c(F)c2)CC1,NBWJABQRBYGGKP-UHFFFAOYSA-N
-rxn:4:187369:223650,CCN(C(=O)c1ccc(Cl)c(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CCCCC1,CBLJBQOZKPMXKQ-UHFFFAOYSA-N
-rxn:4:187380:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1ccccc1S(=O)(=O)CC(=O)N1CCCCC1C,GTLRWKFVHYOZNN-UHFFFAOYSA-N
-rxn:4:187399:222585,CC1CCN(CCCc2ccccc2-c2ccccc2C(=O)NCCN2CCOCC2)CC1,BGJYBPWXUZYJGI-UHFFFAOYSA-N
-rxn:4:187410:224713,CCCCOc1ccc(-c2cccc(OCC(=O)N3C(C)CCCC3C)c2)c(C(F)(F)F)c1,GXYOMASALDMLNC-UHFFFAOYSA-N
-rxn:4:187420:222751,Cc1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2C)cc1NC(=O)OC(C)(C)C,PULYFYKMCCEUJF-UHFFFAOYSA-N
-rxn:4:187421:224591,Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(Cl)c(CN2CCC(C)CC2)c1,XKKVCRVNEMZRFE-UHFFFAOYSA-N
-rxn:4:187436:224997,Cc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)c(C2CN(C(=O)OC(C)(C)C)C2)c1,UQCCQDMOBCKDPC-UHFFFAOYSA-N
-rxn:4:187444:223753,Cc1ccc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)c(F)c2)cc1OCCCN1CCN(C)CC1,MUJNCKAZIHXLIK-UHFFFAOYSA-N
-rxn:4:187483:222718,CCC1CCCCN1S(=O)(=O)c1ccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)c(OC)c1,HCPAIQUKDQHIMN-UHFFFAOYSA-N
-rxn:4:187483:224018,CCC1CCCCN1S(=O)(=O)c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)c(OC)c1,WGMYAMFERRJCJG-UHFFFAOYSA-N
-rxn:4:187487:222514,CCC1CCCCN1S(=O)(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)ccc1OC,IAUFWSDNAUGOGV-UHFFFAOYSA-N
-rxn:4:187487:224760,CCC1CCCCN1S(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC,IXGXHFJNHGBQCT-UHFFFAOYSA-N
-rxn:4:187490:223540,CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1-c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1OC,MMCQTVUZGKCBBU-UHFFFAOYSA-N
-rxn:4:187494:222606,CC(C)(C)NC(=O)c1c(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)cc2)cccc1C(F)(F)F,QMEWZOYFOSUDPL-UHFFFAOYSA-N
-rxn:4:187496:222699,CC(C)(C)OC(=O)N1CCOCC1c1ccc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cc1,USPGORPVHGEAMK-UHFFFAOYSA-N
-rxn:4:187550:224476,COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1-c1ccc2c(c1)ncn2C1CCCCC1,GDNVUCYLGWMOJD-UHFFFAOYSA-N
-rxn:4:187561:222565,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cc(-c3cccc(C(=O)NCc4ccccc4Cl)c3)ccc2Cl)C1,JAIPSFWRGRWXBY-UHFFFAOYSA-N
-rxn:4:187561:226031,CC(C)(C)S(=O)(=O)C1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3C(F)F)ccc2Cl)C1,HCDKSXVXBGWHLU-UHFFFAOYSA-N
-rxn:4:187565:223562,COc1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1C=C1SC(=O)N(Cc2ccc(C)cc2)C1=O,OLXNZQJKLJKRMO-UHFFFAOYSA-N
-rxn:4:187571:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1,NCNWVUVFPNCLPB-UHFFFAOYSA-N
-rxn:4:187587:222475,Cc1ccc(CNC(=O)c2cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)ccc2F)cc1,YWRXLXVROKPMOU-UHFFFAOYSA-N
-rxn:4:187588:223176,CC(C)(C)OC(=O)N1CCC(F)(c2ccc(-c3cccc(CNS(C)(=O)=O)c3)cc2)CC1,FTCNGPAVRMMLDH-UHFFFAOYSA-N
-rxn:4:187592:224061,CCCC1CCC(c2ccc(-c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)c(F)c2)CC1,XGRWXEVZOJJZIE-UHFFFAOYSA-N
-rxn:4:187618:223750,CC(C)(C)[Si](C)(C)Oc1c(-c2ccccc2-c2cccc(C(=O)N3CCCC(C(F)(F)F)C3)c2)ccc2cccnc12,HYARRPJWPHQYDE-UHFFFAOYSA-N
-rxn:4:187624:223997,Cc1cc(-c2cccc(OC(C)C)c2CN2CCCC(C)C2)cc(C)c1S(=O)(=O)N1CCOCC1,ZYGNCKNSMMEJSA-UHFFFAOYSA-N
-rxn:4:187641:222851,CCc1cc(-c2ccc(S(=O)(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)cc2)cc(C2CCNCC2)n1,KUTCNWNOSXDEHG-UHFFFAOYSA-N
-rxn:4:187648:224373,COc1ccc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3=O)cc2)cc1S(=O)(=O)N1CCCC1,FEGUTDFTMPPQPI-UHFFFAOYSA-N
-rxn:4:187660:222798,Cc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1,SVYVZGZDXUYXRS-UHFFFAOYSA-N
-rxn:4:187669:226062,CC(C)c1cc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)cc(C(C)C)c1,QBYCFUSTPHEGCN-UHFFFAOYSA-N
-rxn:4:187670:225044,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(Cl)cc(-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c1,WGBHEUSQLKOIDB-UHFFFAOYSA-N
-rxn:4:187687:226004,COc1cc(OC(F)(F)F)cc(-c2ccc(C(=O)c3ccccc3CN3CCC4(CC3)OCCO4)cc2)c1,LJSYGUNNCWUSFZ-UHFFFAOYSA-N
-rxn:4:187689:225748,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2ccncc2OCC2CCCO2)cc1F,SUOACLLLHHVWFH-UHFFFAOYSA-N
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-rxn:4:193729:222583,CC(C)(C)[C@H]1COC(c2cccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)=N1,LNLYGCOATKHGLP-HSZRJFAPSA-N
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-rxn:4:202001:224958,CC(C)(C)OC(=O)N1CCOCC1c1ccnc(-c2cccc(OCC3CCCCO3)c2)c1,GRMHQSWXRFNMBL-UHFFFAOYSA-N
-rxn:4:202006:222997,CCOc1cc(-c2ccc(Cl)cc2C2CCCNC2)ccc1S(=O)(=O)N1CCN(C)CC1,ARAGGRSTMMAWLE-UHFFFAOYSA-N
-rxn:4:202013:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cccc(CN4CCN(S(=O)(=O)C5CC5)CC4)c3)cc2Cl)CC1,QNKLNWWWJIRIMB-UHFFFAOYSA-N
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-rxn:4:202118:225341,CCOc1ccc(OC(F)(F)F)c(-c2cnc(N3CCCCC3)c(C(=O)OC(C)(C)C)c2)c1,ANNVWFDPDXIMMA-UHFFFAOYSA-N
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-rxn:4:202272:224953,O=C(C1CCCN(Cc2ccc(-c3ccc(OCC4CCCCC4)nc3)cc2)C1)N1CCSCC1,BTXZIDXPRUZTSI-UHFFFAOYSA-N
-rxn:4:202273:228498,Cn1cc(-c2cccc(CN3CCCC(C(=O)N4CCSCC4)C3)c2)c(C(F)(F)F)n1,NKJLLGISCJUNBB-UHFFFAOYSA-N
-rxn:4:202289:226506,COc1ccc(-c2cc(OCC3CC3)ncc2F)c(C(=O)N2CCCN(C3CCSC3)CC2)c1,KMPQDYARUWBARL-UHFFFAOYSA-N
-rxn:4:202311:223973,CC1CCCN(c2ccc(-c3ccc(CN4CCC(C(=O)N5CCC(F)(F)CC5)CC4)cc3)c(C(F)(F)F)c2)C1,BQXTWOXSADWUFF-UHFFFAOYSA-N
-rxn:4:202330:224306,COc1ccc(-c2ccc(C(F)(F)F)cc2OC2CCCC2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,AGLUUMPVXKVVGP-UHFFFAOYSA-N
-rxn:4:202341:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(C(C)C)CC4)cc(C(C)(C)C)c3)c(F)c2)CC1,KQTKWESZAUQNIB-KWQFAZJVSA-N
-rxn:4:202438:223992,Cc1ccc(-c2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)cc1S(=O)(=O)N1CCN(C)CC1,SXWWKHSCSXLBGI-UHFFFAOYSA-N
-rxn:4:202443:222524,CC(C)(C)OC(=O)n1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc2ccc(C#N)cc21,FHJULNCGOWKXMH-UHFFFAOYSA-N
-rxn:4:202527:225202,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2cc(C3CCC3)cc(C(F)(F)F)c2)c1,RTDJCRUCPNLVIQ-UHFFFAOYSA-N
-rxn:4:202663:223951,CN1CCN(CCOc2ccc(-c3ccc4c(ccn4CC(=O)N4CCOC(c5ccccc5)C4)c3)cc2F)CC1,NNNQOTNLGADIQE-UHFFFAOYSA-N
-rxn:4:202674:222639,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)cnc21,YPMJLNXQFHICRB-QFIPXVFZSA-N
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-rxn:4:202680:224650,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cc(F)ccc3OCC3CCOCC3)cnc21,JTRBOIHADCMEEG-UHFFFAOYSA-N
-rxn:4:202711:222600,C[C@H]1CC[C@H](c2ccc3sc(-c4ccc5nc(NC(=O)OC(C)(C)C)sc5c4)nc3c2)N(C(=O)OC(C)(C)C)C1,DRPCQMIWYNAJEJ-HTAPYJJXSA-N
-rxn:4:202711:224970,C[C@H]1CC[C@H](c2ccc3sc(-c4ccc(S[Si](C)(C)C(C)(C)C)cc4)nc3c2)N(C(=O)OC(C)(C)C)C1,ZCBQSUYEPYTIDI-NBGIEHNGSA-N
-rxn:4:202724:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCCC4)cnc4ccc(F)cc34)cc2)cn1,OOQQYFWOACOWEO-UHFFFAOYSA-N
-rxn:4:202726:226545,CCCOc1c(Cl)ccc(-c2ccc3c(c2)CCN3C2CCN(C(=O)OC(C)(C)C)CC2)c1F,QMNQMVZCHZNBFS-UHFFFAOYSA-N
-rxn:4:202754:224487,CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(-c4cccc(OCCN5CCCCC5)c4)ccc32)CC1,QMICJWGVEAYELZ-UHFFFAOYSA-N
-rxn:4:202754:226271,CN(C)C(C#N)c1ccccc1-c1ccc2c(c1)CCCN2C1CCN(C(=O)OC(C)(C)C)CC1,DXCABGFZFVUNIU-UHFFFAOYSA-N
-rxn:4:202778:225284,CCn1c2c(c3cc(-c4cnc(C(F)(F)F)c(CC(C)C)c4)ccc31)CN(C(=O)OC(C)(C)C)CC2,NYASKYFOLRTFME-UHFFFAOYSA-N
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-rxn:4:202807:223945,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cc1,ZQEKHXJEJSGVRE-UHFFFAOYSA-N
-rxn:4:202807:225516,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCCN(C)C)cc2)cc1,SDPLUDHIZQFPEU-UHFFFAOYSA-N
-rxn:4:202819:222467,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(NC(=O)OC(C)(C)C)c5ccccc45)ccc2OC3c2ccc(C(C)C)cc2)cc1,YKVZATMKTSRUCO-UHFFFAOYSA-N
-rxn:4:202820:223973,CC1CCCN(c2ccc(-c3ccc(C=Nc4cc5c6c(c4)C(c4ccccc4)CCN6CCC5c4ccccc4)cc3)c(C(F)(F)F)c2)C1,SKBWVAGQHXTAPM-UHFFFAOYSA-N
-rxn:4:203085:223559,CON(C)C(=O)c1ncc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1Cl,WCWCFEMRQYQMRL-UHFFFAOYSA-N
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-rxn:4:203442:223602,CCCn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)nc1C(C)C,CTNWVDWFXRAVFH-UHFFFAOYSA-N
-rxn:4:203587:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(CC(=O)N4CCOCC4)c3)c3ccccc23)CC1,ONUJGUYBLKBIAB-UHFFFAOYSA-N
-rxn:4:203589:223811,N#CC(c1cc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)ccc1F)N1CCOCC1,BHSVKWBRAVCSBY-UHFFFAOYSA-N
-rxn:4:203638:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(S(=O)(=O)NN4CCOCC4)cc3)cc2)CC1,UJJYUVAFYUOZEQ-UHFFFAOYSA-N
-rxn:4:203677:224761,CC1=C(C#N)CCC(=O)N1Cc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1,MLEMKFNKJSGKNN-UHFFFAOYSA-N
-rxn:4:203687:224659,CN1CCN(C(=O)c2cccc(-c3cncc(CC(=O)N4CCC(F)(F)CC4)c3)c2)CC1,GPCQQFVILBFSTF-UHFFFAOYSA-N
-rxn:4:203753:224670,COC(=O)c1nc(N2CCC(F)(F)CC2)ccc1-c1cc(CN2CCN(C)CC2)ccc1F,WJFAWBNZZULTSO-UHFFFAOYSA-N
-rxn:4:203776:223770,COC1CCN(c2cc(-c3cc4c(C#N)cccc4n3C(=O)OC(C)(C)C)cc(F)c2[N+](=O)[O-])CC1,AOCUKHFQAPZKBI-UHFFFAOYSA-N
-rxn:4:203792:222699,O=C(N=C1SCC(=O)N1c1ccccc1Cl)c1ccc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cc1,OXBHFUMLANSEJJ-UHFFFAOYSA-N
-rxn:4:203801:222439,CN1CCN(C(=O)Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc2)CC1,KDKNMPITQHZUID-UHFFFAOYSA-N
-rxn:4:203880:223813,CS(=O)(=O)N1CCCC(Cc2cccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)n2)C1,ZDGCHGJUKKSWEB-UHFFFAOYSA-N
-rxn:4:203905:222606,CCN1CCN(c2cc(-c3cccc(C(F)(F)F)c3C(=O)NC(C)(C)C)cc(C(F)(F)F)c2)CC1,XVVSYPOBMJNORZ-UHFFFAOYSA-N
-rxn:4:203938:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)cc3)cc2)CC1,UGKSKDPWSZDRSU-UHFFFAOYSA-N
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-rxn:4:204018:223927,CC1CN(Cc2ccc(-c3cc4cccnc4n3COCC[Si](C)(C)C)cc2)CCN1S(C)(=O)=O,WPPDFCBCOSXSMM-UHFFFAOYSA-N
-rxn:4:204033:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cl)c(C(=O)N4CCC(N5CCCC5)C4)c3)c(F)c2)CC1,QDXAFANWYNSPRG-RFJGZHNSSA-N
-rxn:4:204097:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccccc2C(C)N2CCN(C(C)C)CC2)cc1,VAJRVRHYPQFHSF-UHFFFAOYSA-N
-rxn:4:204102:225155,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2C)CC1,PCRXVJNMWWNYDO-UHFFFAOYSA-N
-rxn:4:204103:225641,CC1CCCN(c2cc(-c3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)ccn2)C1,VIIXMNWTBPZOQC-UHFFFAOYSA-N
-rxn:4:204113:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCCCC2)c(N2CCCC2)c1,FZGKSRLUBZAQBY-UHFFFAOYSA-N
-rxn:4:204130:225198,O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(-c3c(F)cccc3OC3CCCCO3)cc2)=NC12CCCC2,OIUGUTYRBNPDFB-UHFFFAOYSA-N
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-rxn:4:204150:222632,O=C(NCCN1CCCC1)c1cccc(-c2cccc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c1,SMGCYGYSVUTZPS-UHFFFAOYSA-N
-rxn:4:204157:224396,Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)cc2)ccc1S(=O)(=O)N1CCOCC1,XXOWRDUMJSRPHY-UHFFFAOYSA-N
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-rxn:4:212532:224100,CC1CCN(CCOc2ccccc2-c2cnn(CC3CN(C(=O)c4cccc(OC(F)(F)F)c4)C3)c2)CC1,BITUWVHSMIHWSF-UHFFFAOYSA-N
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-rxn:4:212593:227487,CSCOc1cc(F)ccc1-c1ccc(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)cn1,HJVQCUGSCLHMAQ-UHFFFAOYSA-N
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-rxn:4:212634:222861,CCCCNC(=O)c1cc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C2CCCC2)ccc1F,RPIXQIPTTKZSGY-UHFFFAOYSA-N
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-rxn:4:212665:225598,COc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cccc(CN4CCSCC4)c3)cn2)C1,LJJPVLISCDPZDN-UHFFFAOYSA-N
-rxn:4:212680:225877,Cc1ccc(OCC2CCN(C(=O)Cc3ccc(F)cc3-c3ccc(Cl)cc3N3CCOCC3)CC2)nn1,CXNQCJGYGCFCBI-UHFFFAOYSA-N
-rxn:4:212691:228453,COC(=O)Cn1cc(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cn1,BNHCNNRGDPDBSW-UHFFFAOYSA-N
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-rxn:4:212698:224590,COc1ccc(-c2csc(CN3CCN(C(=O)c4ccc(-c5ccc(CN6CCC(C)CC6)cc5F)o4)CC3)n2)cc1,OTWXHXMTJZYDRF-UHFFFAOYSA-N
-rxn:4:212706:225217,COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)C(c3ccc(-c4cnc(N5CCCC(C)C5)cc4F)cc3)C2)cc1,BGKFCRTUZNJKMU-UHFFFAOYSA-N
-rxn:4:212712:224243,CC1CCCCN1C(=O)c1cc(F)cc(-c2ccc(-c3cnc(SCC(=O)N4CCCCC4)n3-c3ccccc3)cc2)c1,FPEDCXISNYZGTK-UHFFFAOYSA-N
-rxn:4:212727:224681,Cc1ccccc1-n1c(-c2ccc(-c3ccc(C(=O)N4CCCCC4)c(F)c3)cc2)cnc1SCC(=O)N1CCCCC1,GDKBKAXGCBDXFP-UHFFFAOYSA-N
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-rxn:4:212782:224178,COC(=O)Cn1c(=NC(=O)c2ccccc2-c2cccc(OCCN3CCN(C)CC3)c2)sc2cc(S(N)(=O)=O)ccc21,CVPPSPONNRLJPO-UHFFFAOYSA-N
-rxn:4:212908:224998,CCOC(=O)N1CCCC(Oc2ncc(-c3cccc(C(=O)N4CCCCC4)c3)cn2)C1,POEKAFQQUWGELL-UHFFFAOYSA-N
-rxn:4:212923:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2)cc1,RRFINIGGSPINNO-UHFFFAOYSA-N
-rxn:4:212967:223812,O=C(C1CC1)N1CCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)CC1,MZHKAJPWJDVCJZ-UHFFFAOYSA-N
-rxn:4:212973:226755,COC(=O)c1cc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)c(Cl)cc1F,MSQYWFUDABEVJZ-UHFFFAOYSA-N
-rxn:4:213053:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,KTPFYWRVIUDZLT-UHFFFAOYSA-N
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-rxn:4:213103:222521,COc1ncccc1C(=O)N1CCC(Oc2ncccc2-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)CC1,UBUOPXRSZOQQBF-UHFFFAOYSA-N
-rxn:4:213129:224777,COc1nc(-c2cnc(C3CCCC3)c(C(F)(F)F)c2)cn1C1CCN(C(=O)OC(C)(C)C)CC1,YXBQHTVGAQAODH-UHFFFAOYSA-N
-rxn:4:213131:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)C(C)(C)C)CC4)nc3)c(F)c2)CC1,LCXCAQVOHWAOTQ-ALOJWSFFSA-N
-rxn:4:213134:222684,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)CC1,APIZVRBFCOPOJA-UHFFFAOYSA-N
-rxn:4:213139:223154,CCNC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)ccc1F,ORIWPZHFVYABSD-UHFFFAOYSA-N
-rxn:4:213145:223598,Cn1c(-c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc2)cnc1SCC(=O)N1CCCCC1,SMCRGEMJLBCDJZ-UHFFFAOYSA-N
-rxn:4:213170:222656,O=C(NC1CCCCC1)c1ccc(-c2cccc(S(=O)(=O)N3CCN(CCc4ccccn4)CC3)c2)cc1F,CJGDYXXNPZJNBZ-UHFFFAOYSA-N
-rxn:4:213176:222426,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)c2)CC1,XLYYTCSHXASEGT-UHFFFAOYSA-N
-rxn:4:213188:225166,O=C(c1ccc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)cc1F)N1CCCC1,CDVZHVGDWVKAIM-UHFFFAOYSA-N
-rxn:4:213191:225163,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3C(=O)N3CCOCC3)nc2)CC1,GRIDMCZYGPGNEK-UHFFFAOYSA-N
-rxn:4:213202:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2CCC(COc3ccc(C)nn3)CC2)cc1S(=O)(=O)NC1CCCCC1,OODIXMKMKUUGCD-UHFFFAOYSA-N
-rxn:4:213203:222930,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)c(N5CCCC(O)C5)c4)cc3)CC2)nn1,QINVGBJIWQTUEO-UHFFFAOYSA-N
-rxn:4:213204:225106,CCN(CC)C(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCC(COc3ncc(C)cn3)C2)cc1Cl,WZYSZQKNZBWSGT-UHFFFAOYSA-N
-rxn:4:213221:222720,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccc(N3CCNCC3)cc2C(F)(F)F)cc1[N+](=O)[O-],TXDQDRCALIIBNZ-UHFFFAOYSA-N
-rxn:4:213225:222947,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3cnc(N4CCCC(O)C4)nc3Cl)cc2)[nH]1,NCBLRPPZCVRYGT-BPARTEKVSA-N
-rxn:4:213228:222430,CC1CN(S(=O)(=O)c2cncc(-c3ccc(S(=O)(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)c2)CCN1C(=O)OC(C)(C)C,RWEAOAKRVVMCTN-UHFFFAOYSA-N
-rxn:4:213228:224622,CC1CN(S(=O)(=O)c2cncc(-c3ccn(C(=O)OCc4ccccc4)c3)c2)CCN1C(=O)OC(C)(C)C,XZULZSKBYNDFOL-UHFFFAOYSA-N
-rxn:4:213268:225228,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(N5CCN(C)CC5)cc4F)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,VMTFKPDYDGCBHF-DCFHFQCYSA-N
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-rxn:4:213289:224217,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccc(OCc3ccccc3)c(F)c2F)CC1,AEKDKVNMWUOLJS-UHFFFAOYSA-N
-rxn:4:213354:226530,CCOC(=O)c1cccc(-c2ccc(CN3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)c1F,LNHWYVWDZFFKLZ-UHFFFAOYSA-N
-rxn:4:213373:224101,CC1CCN(CCOc2cccc(-c3cccnc3OC3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)c2)CC1,MZBGHMGSBIXJQV-UHFFFAOYSA-N
-rxn:4:213409:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(-n4c(SCC(=O)N5CCCc6ccccc65)nc5ccsc5c4=O)cc3)c2)CC1,IYHCYYOUJUIDBP-UHFFFAOYSA-N
-rxn:4:213428:224366,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc(OC(F)(F)F)c(OCC5CC5)c4)ccc3c2)[nH]1,CGVPPQKJFPVWDW-MHZLTWQESA-N
-rxn:4:213444:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC(=O)N4CCC(Cn5nc6c(cc5=O)CCCC6)CC4)cc3)cc2)CC1,GBKKMWWSBRBHFA-DJWYIQKTSA-N
-rxn:4:213459:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)C(c3ccccn3)=C[C@@H](CCC(=O)OC)c3ncc(C)n3-4)c(F)c2)CC1,PDMDJWSUGFAJIG-HHHXNRCGSA-N
-rxn:4:213471:224291,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCOCC4)c(F)c3)cc2)CC1,AQZNQCBFXGLWAS-UHFFFAOYSA-N
-rxn:4:213474:224659,CN1CCN(C(=O)c2cccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)c2)CC1,BFIXWHPOMLHBLW-XIFFEERXSA-N
-rxn:4:213480:224659,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(C(=O)N5CCN(C)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,XSFNMVNCVHGMIG-LCQPTLMKSA-N
-rxn:4:213480:226291,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(OCC(C)C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OIKPEMYYMODVNU-CPPXEKLYSA-N
-rxn:4:213481:225733,CCCCOc1cc(-c2cncc(C(=O)OCC3CN(C)C4Cc5cn(C)c6cccc(c56)C4(OC)C3)c2)c(F)cc1F,JQXIFLMSIPTJNE-UHFFFAOYSA-N
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-rxn:4:213653:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)CC1,GMLHKHQKRVEUJZ-UHFFFAOYSA-N
-rxn:4:213659:223787,CCOC(=O)C1CCCN(c2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)C1,CVYRNNUKINFWKH-UHFFFAOYSA-N
-rxn:4:213671:223952,CN1CCN(CCOc2ccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)cn3)cc2Cl)CC1,QGOUPCQWKREUME-UHFFFAOYSA-N
-rxn:4:213693:222546,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cn1,LGMXERDJROHNMZ-UHFFFAOYSA-N
-rxn:4:213754:222426,CCN1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)CC1,DNIVXTQWNSSXBX-UHFFFAOYSA-N
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-rxn:4:213786:222538,Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CCCC3)nc(C3CCNCC3)c2)C1,OJJCQQUZPPASQG-UHFFFAOYSA-N
-rxn:4:213795:222436,O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2cnn(CC3CN(CC4CCCOC4)C3)c2)c1,UWHOCSAJMKFGRZ-UHFFFAOYSA-N
-rxn:4:213800:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cc(C2COCCN2C(=O)OC(C)(C)C)ncn1,AZYSYSWHDKQDCP-UHFFFAOYSA-N
-rxn:4:213801:225172,CC(C)(C)OC(=O)N1CCOC(c2cncc(-c3cc(CN4CCOCC4)ccc3F)n2)C1,DWJHPVQFXBPFMU-UHFFFAOYSA-N
-rxn:4:213812:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(Oc5ccc(C)nn5)CC4)o3)ccc2C)CC1,IYDLEIBUARFFTK-UHFFFAOYSA-N
-rxn:4:213846:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c2)c1,XLYIGUVHMZJBTR-IBGZPJMESA-N
-rxn:4:213863:222604,COc1ccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)cc1S(=O)(=O)NC1CCCC1,BIVLMQIXKZYKSH-UHFFFAOYSA-N
-rxn:4:213874:225982,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOCC4)cc3F)ccn2)CC1,IHMGLQTVWBKOIE-UHFFFAOYSA-N
-rxn:4:213875:224265,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cc(C4CCCCC4)cc(C(F)(F)F)c3)n2)CC1,TUTOQLDBVSGQOP-UHFFFAOYSA-N
-rxn:4:213880:225182,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccnc(OC3CCCCC3)c2Cl)CC1,BYVAXMRKIBEFBX-UHFFFAOYSA-N
-rxn:4:213889:225828,CC(C)(C)OC(=O)N1CCCC(c2cc(-c3cnc(N4CCCCCC4)nc3)ncn2)C1,GVZWLLUNDGSBMX-UHFFFAOYSA-N
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-rxn:4:213894:225996,CCOc1ncc(C(F)(F)F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,DBBMEFFFCCJDRZ-UHFFFAOYSA-N
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-rxn:4:213929:222634,Cc1cc(C)nc(OC2CCCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCC5)c(F)c4)o3)C2)n1,YYISHWZXJCNQMD-UHFFFAOYSA-N
-rxn:4:214011:224654,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(F)c(O[Si](C)(C)C(C)(C)C)c3)cc2)c(C)c1S(=O)(=O)N1CCCC1,GQPZPXRYYCXOCZ-UHFFFAOYSA-N
-rxn:4:214024:222717,Cc1cc(-c2cnc(OC3CCN(C(=O)C4CCC(F)(F)CC4)CC3)nc2)c(S(=O)(=O)NC(C)(C)C)cc1F,JEXRMZUTQFTELI-UHFFFAOYSA-N
-rxn:4:214027:228143,CCCc1ncc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cc1Cl,OVVNNJFBPHJRRI-UHFFFAOYSA-N
-rxn:4:214033:224160,CC(C)[C@H]1COC(c2cc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,SKJMFEBOFHYPGP-JWQCQUIFSA-N
-rxn:4:214041:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3ccc(-c4noc(C5CCN(S(=O)(=O)c6ccccc6)CC5)n4)cc3)c2)CC1,YGLPKUVHBUHJAQ-UHFFFAOYSA-N
-rxn:4:214050:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c(F)c2)cc1,KAEYHFTVZUQANF-CVEARBPZSA-N
-rxn:4:214056:225311,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4cc(C(F)(F)F)c(C5CC5)cc4Cl)o3)S2)CC1,UGCVCVTYLQCUFS-UHFFFAOYSA-N
-rxn:4:214074:223136,Cc1nn(S(=O)(=O)c2ccc(-c3ccncc3C3CCCNC3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,CTTVULVILNUVRC-UHFFFAOYSA-N
-rxn:4:214080:225572,COC(=O)c1ccc(C2CC2)cc1-c1ccc(C(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)cc1,NABNZPRPORELFS-UHFFFAOYSA-N
-rxn:4:214086:223120,CC(C)N1CCN(Cc2ccc(-c3cccc(C(=O)NC4CC4)c3)cc2N2CCCCC2)CC1,GCROAVPSEXVDCW-UHFFFAOYSA-N
-rxn:4:214153:224172,CN(Cc1cccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)c1)C(=O)OC(C)(C)C,XUDMKFUTJMFSBT-LJQANCHMSA-N
-rxn:4:214153:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnn3c2OC[C@H](N(C)C(=O)OC(C)(C)C)C3)c1,XIXCVPRLPJQZEK-OAQYLSRUSA-N
-rxn:4:214254:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2cnc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)c1,INAXRNYHIVYFOA-UHFFFAOYSA-N
-rxn:4:214254:224411,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3ccc(S(=O)(=O)N(C)C)cc3C(F)(F)F)cnc21,NMGPJBRMJPRPQG-UHFFFAOYSA-N
-rxn:4:214255:223582,COC(=O)c1ccc2cc(-c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncnc(Cl)c34)n(C(=O)OC(C)(C)C)c2c1,IPRQFLYVSQPZBW-UHFFFAOYSA-N
-rxn:4:214255:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncnc(Cl)c23)cc1,WRGSEAPHGGUTOZ-UHFFFAOYSA-N
-rxn:4:214260:222740,CC(C)c1cc(-c2ccc(C(=O)N3CCN(C(=O)c4cn(C)c5ccccc45)CC3)o2)cc(C2CCCNC2)n1,DOUHXADSZUTIOW-UHFFFAOYSA-N
-rxn:4:214323:225343,CC(C)Sc1ncc(C(F)(F)F)cc1-c1ccc2ccn(CC(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c2c1,HNOQRDLHVHHEIS-UHFFFAOYSA-N
-rxn:4:214360:225047,Cc1cc(-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc2)n3C)cnc1N1CCC(C)CC1,SMKCCZHSSBXAGQ-UHFFFAOYSA-N
-rxn:4:214390:225877,CCOc1ccc(C2=NN3C(C2)c2cc(-c4ccc(Cl)cc4N4CCOCC4)ccc2OC32CCN(C(C)=O)CC2)cc1,SHVHHUMZVJHHTG-UHFFFAOYSA-N
-rxn:4:214540:223480,CCCc1nnc(-c2cncc(-c3cc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c2)o1,BPEISCRMCJWJKP-UHFFFAOYSA-N
-rxn:4:214639:223777,CC(C)(C)OC(=O)N1CCc2c(ccc(-c3cnc(N4CCCC(C(F)(F)F)C4)c([N+](=O)[O-])c3)c2F)C1,RYQYBBUVDFLSKQ-UHFFFAOYSA-N
-rxn:4:214681:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1cn(C)nc1CN1CCCCC1C(F)(F)F,MTEKZMAXHYFFKY-UHFFFAOYSA-N
-rxn:4:214772:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(CC2CCCN(S(C)(=O)=O)CC2)cn1,MVNVQRAJRKWRHM-UHFFFAOYSA-N
-rxn:4:214775:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cnc(OC3CCN(C4CCSC4)CC3)nc2)c1,XFDUAUHSOYWHDU-UHFFFAOYSA-N
-rxn:4:214781:223788,CC(C)(C)OC(=O)N1CC(Oc2ccc(-c3cccc(C(=O)N4CCN(c5ccccn5)CC4)c3)cc2)C1,WLLRTDZKVJNKFK-UHFFFAOYSA-N
-rxn:4:214818:226266,COC(=O)CCc1ccccc1-c1cnc(N2CCN(C(=O)C3CCCO3)CC2)c(Cl)c1,VLIBEIRXOHWVJA-UHFFFAOYSA-N
-rxn:4:214872:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCCCC4)C3)c2Cl)CC1,KQGHGCRJTASEAM-UHFFFAOYSA-N
-rxn:4:214873:225009,Cc1cnc(OC2CCCCC2)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)c1,URXJXBNLUXQNQZ-UHFFFAOYSA-N
-rxn:4:214873:225252,CCOC(=O)c1cn2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)ccc2n1,AQOUNTDZSQRAED-UHFFFAOYSA-N
-rxn:4:214875:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(F)c1,BYGBOTQCMOXAKA-UHFFFAOYSA-N
-rxn:4:214888:225163,O=C(c1cncc(-c2ccccc2C(=O)N2CCOCC2)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,AYRKTSUEEFTKBV-UHFFFAOYSA-N
-rxn:4:214900:223788,CN1CCN(Cc2ccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)cc2N2CCCCC2)CC1,FSGOBTSJUTYYLS-UHFFFAOYSA-N
-rxn:4:215054:224936,CC(C)(C)OC(=O)Cc1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)C3=O)cc1,BHASEGRTNIVKBV-UHFFFAOYSA-N
-rxn:4:215277:223991,COc1ccc(C2=NN3C(C2)c2cc(-c4c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c4F)ccc2OC3c2ccncc2)cc1,PXAVXVUFXXJVRT-UHFFFAOYSA-N
-rxn:4:215390:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cn(C3(C(F)(F)F)CC3)nn2)CC1,NMPSHMDKYDVUIU-UHFFFAOYSA-N
-rxn:4:215701:223712,COc1ccc(-c2cnc(N3CCOCC3)cc2C#N)cc1C12CC3CC(CC(C3)C1)C2,MEGFWPMGTRDEPM-UHFFFAOYSA-N
-rxn:4:215887:223823,CC1CCN(c2c(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cncc2[N+](=O)[O-])CC1,QKCGASNNPGNOJA-UHFFFAOYSA-N
-rxn:4:215937:222585,Cc1nc(C(=O)N2CCN(C)CC2)ccc1-c1ccccc1C(=O)NCCN1CCOCC1,FCZNHNPNYGNJMB-UHFFFAOYSA-N
-rxn:4:215942:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ncccc3N3CCC(N(C)C)CC3)cc2)CC1,OMJJKQWVHLLOBU-RQNOJGIXSA-N
-rxn:4:215960:223846,Cc1cc(-c2cc([N+](=O)[O-])c(C)cc2N2CCN(C)CC2)cc(C2CC3CCC2(C)C3(C)C)c1,GWAJGPJOBSMNSK-UHFFFAOYSA-N
-rxn:4:216059:223542,CN1CCN(S(=O)(=O)c2cc(-c3cc([N+](=O)[O-])cc4c(Cl)c(C#N)cnc34)ccc2OC(F)(F)F)CC1,JLYHEKAIHMGZRY-UHFFFAOYSA-N
-rxn:4:218578:224208,CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cc(F)ccc3OCc3cccc(Cl)c3)cn2)CC1,PKMPMWYPMOEAPS-UHFFFAOYSA-N
-rxn:4:218586:224182,Cc1cc(-c2cnc(OCC3CCCN(Cc4ccc(C#N)cc4F)C3)nc2)ccc1OCCN1CCOCC1,OBRMXRHLHHPTFZ-UHFFFAOYSA-N
-rxn:4:218587:222613,CCCNS(=O)(=O)c1ccc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)c(C(F)(F)F)c1,VULOSPLTCCBGEB-UHFFFAOYSA-N
-rxn:4:218603:222656,O=C(NC1CCCCC1)c1ccc(-c2cnc(OCC3CCCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)cc1F,MNLRERFKCLNSRW-UHFFFAOYSA-N
-rxn:4:218606:225172,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,OLISGYOETMEYEA-UHFFFAOYSA-N
-rxn:4:218620:224280,CC(C)(C)OC(=O)N1CCc2sc(-c3cnc(OCC4CCCN(Cc5csc(C6CC6)n5)C4)nc3)cc2C1,JWSADJZOKOSXTI-UHFFFAOYSA-N
-rxn:4:218695:222910,CCCNS(=O)(=O)c1ccc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2C)c(C)c1,SZMJFWXOSSSYMX-UHFFFAOYSA-N
-rxn:4:218766:224594,CC(=O)N1CCCCC1c1ccccc1-c1cnc(OCC2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)nc1,QRBQAGHXEGIAJG-UHFFFAOYSA-N
-rxn:4:218769:223643,Cc1ccc(S(=O)(=O)n2c(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCCC5)CC4)c3)cc3ccccc32)cc1,HTCOOYLFKPCGBH-UHFFFAOYSA-N
-rxn:4:218777:222500,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1-c1cc(C(=O)NCc2ccc(F)cc2)ccc1F,XUAZSTUNWKAKKY-UHFFFAOYSA-N
-rxn:4:218786:223821,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5ccnc6c5ccn6S(=O)(=O)c5ccccc5)cccc4c3C2)CC1,HQRIYCLHSBVSHE-UHFFFAOYSA-N
-rxn:4:218813:224818,CN(CC1CN(c2ncc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cn2)C1)C(=O)C1CC1,BIEJAHWCXKWBAH-UHFFFAOYSA-N
-rxn:4:218815:223745,CN(CCc1ccccc1)C(=O)c1ccc(-c2cnn(CC3CN(C(=O)CN4C(=O)CCC4=O)C3)c2)cc1,BHCNLXPOULWFBG-UHFFFAOYSA-N
-rxn:4:218824:225257,CCOC(=O)COc1cc(F)cc(-c2cnc(N3CC(CN(C)S(=O)(=O)C4CC4)C3)nc2)c1,SDNTWWXAPSJHGN-UHFFFAOYSA-N
-rxn:4:218857:223585,COc1ccc(CN(C)S(=O)(=O)c2ccccc2-c2cnccc2OC2CCN(C(=O)c3cn(C)nc3C(F)F)C2)cc1,PEYFTHGEADLTJV-UHFFFAOYSA-N
-rxn:4:218868:226142,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cccc(OC4CCCC4)c3)cc2)no1,CIFNLFIDBYUNTI-UHFFFAOYSA-N
-rxn:4:218886:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5scnc5C)C4)nc3)c(F)c2)CC1,CVCPMDXQCPMFTQ-ANRZFKABSA-N
-rxn:4:218889:224678,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCCCC5)c4)cn3)C2)no1,FRXHSUAOUHMMFV-UHFFFAOYSA-N
-rxn:4:218892:222634,Cc1ccc(OCC2CCN(C(=O)c3cncc(-c4ccc(OCCNC5CCCC5)c(F)c4)c3)C2)nn1,PVMNUIOSBPBQIH-UHFFFAOYSA-N
-rxn:4:218900:223959,CCN1CCN(C(=O)c2cc(-c3cnn(CC4CN(C(=O)c5cccc(N(C)C)c5)C4)c3)ccc2Cl)CC1,CQOQCOZCQKEUMK-UHFFFAOYSA-N
-rxn:4:218917:226476,CCCCOc1ncc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1Cl,KRTNVDRZMHQRFQ-UHFFFAOYSA-N
-rxn:4:218945:228347,CC(C)(C)OC(=O)N1CCN(c2c(-c3cnc(N4CCC4)nc3)cncc2[N+](=O)[O-])CC1,VIAGSZUSFIEJQM-UHFFFAOYSA-N
-rxn:4:218968:222921,Cc1cc(S(=O)(=O)NC(C)C)ccc1-c1cncc(C(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)c1,ZXMLVABZQXMVHD-UHFFFAOYSA-N
-rxn:4:218991:224665,CN1CCN(Cc2cc(F)ccc2-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)CC1,IMKITFMYOMZAFN-UHFFFAOYSA-N
-rxn:4:218992:228695,CN(C)Cc1cc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)cs1,CXRODNFGAFSRAS-UHFFFAOYSA-N
-rxn:4:218998:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)CC1,BBNACHBNAHAOQL-UHFFFAOYSA-N
-rxn:4:218998:224015,Cc1cc(F)c(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)cc1S(=O)(=O)N1CCOCC1,ZQTWDSKESJKHPB-UHFFFAOYSA-N
-rxn:4:219012:222585,CN(c1ncc(-c2ccccc2C(=O)NCCN2CCOCC2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,NUOCWOAXAZDYIP-UHFFFAOYSA-N
-rxn:4:219012:222609,CN(c1ncc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,UIMMRJHFNMSIKP-UHFFFAOYSA-N
-rxn:4:219013:226908,CCCCCc1ccc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1,UKUSADLSZMFDRV-UHFFFAOYSA-N
-rxn:4:219030:224759,CC(C)N1CCN(CCc2nc(-c3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3)no2)CC1,LRQBTFOWJFCAKN-UHFFFAOYSA-N
-rxn:4:219051:227696,COC(=O)c1ccc(-c2cnc(N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c(F)n1,FAMNSGWHMVOCNF-UHFFFAOYSA-N
-rxn:4:219053:225979,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cnc(N5CCOCC5)c(Cl)c4)c3)cn2)CC1,JDKNHHUOWFOCDE-UHFFFAOYSA-N
-rxn:4:219093:222583,CCC(=O)C1=C(c2ccc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cc2)N(C(=O)CC)n2cnnc2S1,UYUXRPJDAHXGJY-UHFFFAOYSA-N
-rxn:4:219174:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1CCC(=O)N1CCCc2cnc(N3CCOCC3)nc21,ZVPIJDAFRQPAOO-UHFFFAOYSA-N
-rxn:4:219244:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ncnn2C2CN(C(=O)OC(C)(C)C)C2)cc1,FUXFUBPASULQKV-UHFFFAOYSA-N
-rxn:4:219244:224484,CC(C)N(C(=O)c1ccccc1-c1ncnn1C1CN(C(=O)OC(C)(C)C)C1)C(C)C,BPHYGSZFSIPBII-UHFFFAOYSA-N
-rxn:4:219271:226663,O=[N+]([O-])c1cc(-c2ccc(N3CCSCC3)nc2)cnc1N1CCN(CC(F)(F)F)CC1,IWBJFMFNALPBMQ-UHFFFAOYSA-N
-rxn:4:219274:222538,FC(F)(F)c1ccnc(N2CC(Cn3cc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cn3)C2)c1,JDBRNTPXFOBRFT-UHFFFAOYSA-N
-rxn:4:219340:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)o2)CC1,QOTNRWPUWWUMQF-UHFFFAOYSA-N
-rxn:4:219360:224396,Cc1cc(-c2cccnc2OC2CCN(C(=O)c3snnc3C)CC2)ccc1S(=O)(=O)N1CCOCC1,JTQUXAYUNHKXIQ-UHFFFAOYSA-N
-rxn:4:219381:225274,COCCOc1c(F)cc(-c2cnc(SC)nc2N2CCN(S(=O)(=O)C3CC3)CC2)c(C)c1F,VDBUDWQCDSDHDA-UHFFFAOYSA-N
-rxn:4:219403:226025,O=C1C(N2CC(Cn3cc(-c4cnc(OC5CCOC5)nc4Cl)cn3)C2)CCN1C1CC1,GFMCTRSHLFEOKO-UHFFFAOYSA-N
-rxn:4:219405:222634,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCNC4CCCC4)c(F)c3)n2)CC1,ZWESTOKFAFAHMJ-UHFFFAOYSA-N
-rxn:4:219451:225741,CCCCOc1c(F)cc(-c2cn(C)nc2C(=O)N2CCCN(CC3CC3)CC2)cc1Cl,VLQUHYOYYVFJPU-UHFFFAOYSA-N
-rxn:4:219462:223174,CCS(=O)(=O)Nc1ccc(-c2cnc(OC3CCCN(S(=O)(=O)N4CCCC4)C3)nc2)cc1,LLCZDNBRHRZMJG-UHFFFAOYSA-N
-rxn:4:219468:222546,O=C(N1CCOCC1)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,NZQVCSMBZXZSSB-UHFFFAOYSA-N
-rxn:4:219469:222533,CSc1ncc(-c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,LVWNUZHHAHJDJN-UHFFFAOYSA-N
-rxn:4:219499:224068,CC(C)(C)c1ccc(-c2cc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(C#N)c3)ccn2)cc1,RNKBPOXXVADJNF-UHFFFAOYSA-N
-rxn:4:219501:223602,CSc1ncc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,PDLWBXWDGSMEJF-UHFFFAOYSA-N
-rxn:4:219501:225093,CCCOc1c(Cl)cc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1OCC,JLDIDJVGJGMSLT-UHFFFAOYSA-N
-rxn:4:219552:223084,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cnc(N2CCC(O)CC2)nc1,YLQXDEHTLBXRSR-UHFFFAOYSA-N
-rxn:4:219565:225516,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(OCCCN(C)C)cc4)cc3)CC2)n1,QUQSXKJDHRLTKO-UHFFFAOYSA-N
-rxn:4:219630:224958,CCS(=O)(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4cccc(OCC5CCCCO5)c4)cc23)CC1,HVRSTANXMLBCSA-UHFFFAOYSA-N
-rxn:4:219639:225007,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cccc(CN5CCCCC5)c4F)cn3n2)C1,DNPBVEXGWLKPFD-UHFFFAOYSA-N
-rxn:4:219654:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1,DMGYPRCWGWIABD-UHFFFAOYSA-N
-rxn:4:219688:222889,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cc(F)cc(CN5CCNCC5)c4)cn3n2)CC1,LAIAOYGZPSJZPW-UHFFFAOYSA-N
-rxn:4:219750:225295,COc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,NAXAAKMWPFJXKQ-UHFFFAOYSA-N
-rxn:4:219766:225196,O=C(c1cncc(-c2cc(Cl)c(F)c(OC3CCCC3)c2)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,CQDFTZXCBNARPO-UHFFFAOYSA-N
-rxn:4:219769:222884,CC(C)N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cc(F)cc(C(=O)NC(C)(C)C)c4)cc2)OC3)CC1,RIYJGESZUMJGCR-UHFFFAOYSA-N
-rxn:4:219857:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)N4CCC(n5ccnn5)C4)c3)ccc2OC)CC1,GLDSAANSXVSOJJ-UHFFFAOYSA-N
-rxn:4:219959:222901,CCCS(=O)(=O)NCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1,COJSWRKBEKYHHA-UHFFFAOYSA-N
-rxn:4:219984:223695,CCc1cc(N2CCN(c3ccc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cc3)CC2)ncn1,DVVREPFBQAOAAH-UHFFFAOYSA-N
-rxn:4:219986:222466,Cc1cncnc1N1CCN(Cc2ccccc2-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)CC1,FOYHCKPYBVHESW-UHFFFAOYSA-N
-rxn:4:220039:224411,CN(C)S(=O)(=O)c1ccc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c1,ARCLMPRTTFVBFM-UHFFFAOYSA-N
-rxn:4:220162:226844,CSc1ncc(-c2ccnc(C(=O)C(F)(F)F)c2)c(N2CC(N3CC4CCCC4C3)C2)n1,NXQPSQPJMXZYPF-UHFFFAOYSA-N
-rxn:4:220204:224190,COc1ccc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)cc1O[Si](C)(C)C(C)(C)C,RIMKBUSLVZPIKD-UHFFFAOYSA-N
-rxn:4:220225:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc4ncnc(N5CCCC(C(=O)N6CCOCC6)C5)c4c3)c2)CC1,OKEOCFUQHIOTOL-UHFFFAOYSA-N
-rxn:4:220225:224685,O=C1CCN(C(=O)c2cccc(-c3ccc4ncnc(N5CCCC(C(=O)N6CCOCC6)C5)c4c3)c2)CC1,CFWXQHFRWVFKHH-UHFFFAOYSA-N
-rxn:4:220400:224414,CN1CCN(c2cc([N+](=O)[O-])cc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)F)nc3)n2)CC1,MYVZOCOKRCNBAH-UHFFFAOYSA-N
-rxn:4:220536:224127,CCN1CCN(C(C)c2ccc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)cc2)CC1,AWLYHOXWKMZMDP-UHFFFAOYSA-N
-rxn:4:220945:223596,CN1CCC(n2ncc3cc(-c4ccc(Cl)cc4N4CCN(C(=O)OC(C)(C)C)CC4)cnc32)CC1,NVNVKZOFEMZRIQ-UHFFFAOYSA-N
-rxn:4:221097:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(C(=O)CCc5c(C)n[nH]c5C)C4)nc3)c2)CC1,MXQPOMNPFKCYCY-UHFFFAOYSA-N
-rxn:4:221113:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccccc3CC(=O)N3CCN(Cc4nncn4C4CCCCC4)CC3)c2)CC1,TZCGJQKAZMHPKN-UHFFFAOYSA-N
-rxn:4:221115:222518,CCOc1ccc(-c2ccc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,INGPUWJAVDUTAA-UHFFFAOYSA-N
-rxn:4:221121:227153,Cc1nn(C)c2cc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)ccc12,VBLUGHULRPNITF-UHFFFAOYSA-N
-rxn:4:221157:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CCN(CCn2ccnc2)CC1,YNTLEJUZSYXRFZ-UHFFFAOYSA-N
-rxn:4:221173:223945,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)ccc1=O,YFKVSDWBVQASQT-UHFFFAOYSA-N
-rxn:4:221181:222774,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(F)c(CN5CCC(O)CC5)c4)cn3)C2)nn1C,SJZWRJGBTGKFLF-UHFFFAOYSA-N
-rxn:4:221182:223114,CCCNC(=O)c1cccc(-c2cnc(N3CCC(N4CC(=O)N(CCOC)C4=O)CC3)nc2)c1,NGRBWDKLWMUNNO-UHFFFAOYSA-N
-rxn:4:221195:223482,O=C(c1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1,QQJVNFNNCGIBJQ-UHFFFAOYSA-N
-rxn:4:221205:224552,Fc1cc(COC2CCCCC2)cc(-c2ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)c1,DQYSTIHFQPHHEI-UHFFFAOYSA-N
-rxn:4:221245:224718,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCN6CCOCC6)nc5)c4)CC3)nn2c1C,XJNBZFJVQHSZFH-UHFFFAOYSA-N
-rxn:4:221249:223003,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(Cl)c(C6CCNCC6)c5)cnn4c3)cc2)CC1,CKXNMWLAMXLCNH-UHFFFAOYSA-N
-rxn:4:221257:222611,COC(=O)Cn1c(C)cn2c3c(=O)n(Cc4ccc(-c5cc(S(=O)(=O)N6CCNCC6)ccc5OC)cc4)c(=O)n(C)c3nc12,IAYSOZXMAQABKI-UHFFFAOYSA-N
-rxn:4:221266:224008,CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(-c5cc(C(=O)N6CCOCC6)cc([N+](=O)[O-])c5)cc4)c(C)c(C)n23)n(C)c1=O,LFYNDBVRAXKBNY-UHFFFAOYSA-N
-rxn:4:221270:223586,CCOCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(OCc4ccc(OC)cc4)cc(C(F)(F)F)c3)cc2)n(C)c1=O,HHZAHEWTCWETIY-UHFFFAOYSA-N
-rxn:4:221270:225725,CCOCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C(=O)OCC)ccc3C#N)cc2)n(C)c1=O,SVCWEIRIFGTPIN-UHFFFAOYSA-N
-rxn:4:221369:223532,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)ccc1=O,LIWIOQPVCGKCNM-UHFFFAOYSA-N
-rxn:4:221381:225952,Cc1nc(N2CCN(C(=O)c3cncc(-c4cnc(N5CCOCC5)nc4C)c3)CC2)cc(C(F)(F)F)n1,GYDRIYYMGSFJPN-UHFFFAOYSA-N
-rxn:4:221414:223670,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)c3)CC2)cn1C,UKJKSSGCCXQVPL-UHFFFAOYSA-N
-rxn:4:221417:222546,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccc(-c5ccc(OCCNC6CCCCC6)c(F)c5)o4)CC3)n2)n1,NBRKPOAGYQRIIK-UHFFFAOYSA-N
-rxn:4:221420:226844,O=C(c1ccccc1-c1ccnc(C(=O)C(F)(F)F)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,UVFKOFQIDLALRG-UHFFFAOYSA-N
-rxn:4:221421:225743,COC(=O)Cc1ccc(OC)c(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,QDPWFMVHFSTGBK-UHFFFAOYSA-N
-rxn:4:221422:222838,CC(C)(C)C(=O)NCc1ccc(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)cc1,ULNQIRLKAUNTIM-UHFFFAOYSA-N
-rxn:4:221427:223985,COc1ccc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1S(=O)(=O)N1CCCCC1,QYQBLDDYQMUTCK-UHFFFAOYSA-N
-rxn:4:221447:222747,Cc1cc(N2CCN(Cc3ccc(-c4ccc(C(=O)NCC5CCCO5)cc4)cc3)CC2)nc(N2CCOCC2)n1,AQXCQKGLVXDKRN-UHFFFAOYSA-N
-rxn:4:221453:223280,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cnc(C5CCNC5)nc4)cc3)CC2)n1,FVTQZRZBDCQUMW-UHFFFAOYSA-N
-rxn:4:221485:222829,CNS(=O)(=O)c1ccc(-c2c(C)n(S(=O)(=O)c3ncn(S(=O)(=O)N(C)C)n3)c3cc(F)ccc23)c(C(F)(F)F)c1,BALSVSKABHLVQY-UHFFFAOYSA-N
-rxn:4:221498:222584,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c23)CC1,NKNVSWQCPAZOGV-UHFFFAOYSA-N
-rxn:4:221498:224192,CCN1CCN(Cc2ccc(F)cc2-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)CC1,UGQJROKRYKRFNR-UHFFFAOYSA-N
-rxn:4:221498:224290,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(Cl)cc4OCCN4CCOCC4)c23)CC1,XFVXYSBIJDPLDR-UHFFFAOYSA-N
-rxn:4:221507:224825,CON(C)C(=O)c1cc(-c2cnc(OCC3CCCN(c4ncnc5c4CCC5)C3)nc2)cc([N+](=O)[O-])c1,PUNDZVYFIKKBRY-UHFFFAOYSA-N
-rxn:4:221590:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CC4CN(c5ncc(Cl)cn5)C4)c3)cc2[N+](=O)[O-])CC1,YFYLZJZECUNFKO-UHFFFAOYSA-N
-rxn:4:221714:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(-c4noc(-c5nnn6c5COC(c5ccc(F)cc5)C6)n4)cc3)cc2Cl)CC1,QXBAPMIYOVOUFF-UHFFFAOYSA-N
-rxn:4:221723:224170,O=c1cc2c(nn1CC1CCN(c3ncc(-c4ccc(OCCCN5CCCC5)c(Cl)c4)cn3)CC1)CCC2,DZMFUMSQMAKDMN-UHFFFAOYSA-N
-rxn:4:221723:224171,O=c1cc2c(nn1CC1CCN(c3ncc(-c4ccc(OCCCN5CCCC5)c(F)c4)cn3)CC1)CCC2,RTNBMICQZGZOHF-UHFFFAOYSA-N
-rxn:4:221726:225080,COC(=O)C1CCc2cc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)ccc2O1,JPUFTARCIQRVHI-UHFFFAOYSA-N
-rxn:4:221726:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1,KUKQRPFBIMJNAG-UHFFFAOYSA-N
-rxn:4:221727:223785,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CCN(c5cc6c(nn5)CCCC6)CC4)c3)cc2Cl)CC1,YCUCHJUNJNBDAN-UHFFFAOYSA-N
-rxn:4:221731:224170,O=c1cc2c(nn1CC1CCN(c3ncc(-c4ccc(OCCCN5CCCC5)c(Cl)c4)cn3)CC1)CCCC2,ZJWKNJQBXFZAAA-UHFFFAOYSA-N
-rxn:4:221834:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(c5ccc6cccnc6n5)CC4)nc3)cc2[N+](=O)[O-])CC1,KBIUKMNRFXULNF-UHFFFAOYSA-N
-rxn:4:221836:223929,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cnc2C1,RUONNGFOXZTNAG-UHFFFAOYSA-N
-rxn:4:221954:223574,CCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5cccc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)c4)CC3)nn2)n1,HWTYTZGCHKZKTG-UHFFFAOYSA-N
-rxn:4:221972:224258,CC1CCCCN1C(=O)c1ccc(-c2cnc(OCC3CCCN(Cc4nnc5n4CCC5)C3)nc2)c(Cl)c1,PYNUTWRUSNKAKV-UHFFFAOYSA-N
-rxn:4:222032:224685,CN(C)c1nccc(N2CCN(c3ncc(-c4cccc(C(=O)N5CCC(=O)CC5)c4)cc3C(F)(F)F)CC2)n1,SHGUXPVJXKFELI-UHFFFAOYSA-N
-rxn:4:222054:224772,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C(=O)N6CCOCC6)cc5Cl)o4)CC3)nn2)CC1,OWYGAIGHXLUJGO-UHFFFAOYSA-N
-rxn:4:222061:224867,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5ccc(OCC6CCCCC6)cc5)c4)CC3)nn2)c(C)c1C,WSEGXHNLQQBINY-UHFFFAOYSA-N
-rxn:4:222080:223810,Cc1cc(-c2cccc(C(=O)N(C)C3CN(c4ccc5nnc(C)n5n4)C3)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,NEXVRYBFHMGPGK-UHFFFAOYSA-N
-rxn:4:222108:223568,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc7c(ccn7[Si](C(C)C)(C(C)C)C(C)C)c6Cl)cc5)no4)C3C2=O)cc1F,JJYDFGVXGAAXSX-UHFFFAOYSA-N
-rxn:4:222108:225910,CCOc1cc(C(F)(F)F)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,JXOSTAZHZLFHGH-UHFFFAOYSA-N
-rxn:4:222142:224309,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c2F)cc1,JSHUWFGQCGCNDO-UHFFFAOYSA-N
-rxn:4:222154:223971,Cc1nc(N2CCN(c3ncc(-c4cc(N5CCC(C)CC5)cc(C(F)(F)F)c4)cn3)CC2)cc(C(F)(F)F)n1,UVXKDHDRESZTMC-UHFFFAOYSA-N
-rxn:4:222156:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(c5ncnc(C6CC6)c5F)CC4)nc3)c2)CC1,ZSZZPYICBUODJO-UHFFFAOYSA-N
-rxn:4:222161:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)nc1,IUDFYAQUYDAZJG-UHFFFAOYSA-N
-rxn:4:222162:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCN(c5cc(C6CCC6)ncn5)CC4)nc3)c2)CC1,YUJKDDKHIBLSQY-UHFFFAOYSA-N
-rxn:4:222192:223960,CCN1CCN(C(=O)c2cc(-c3cnc(N4CCN(c5nc(C6CC6)nc6c5CCC6)CC4)nc3)ccc2F)CC1,NCDFDNMDEVMNQE-UHFFFAOYSA-N
-rxn:4:222235:224589,CC1=NN(C)c2nc3c(c(=O)n(Cc4ccc(-c5ccc(F)cc5CN5CCC(C)CC5)cc4)c(=O)n3C)n2C1C,GVZHNNJAKASEAX-UHFFFAOYSA-N
-rxn:4:222329:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(N4CCN(c5nccc(N6CCCC6)n5)CC4)nc3)c(F)c2s1,UTHJUMFPGQDHCP-UHFFFAOYSA-N
-rxn:4:222329:222743,CC(c1ccc(-c2cnc(N3CCN(c4nccc(N5CCCC5)n4)CC3)nc2)cc1)N1CCC(O)CC1,WBUWOKWNFOYSLK-UHFFFAOYSA-N
-rxn:4:222331:222833,CC(C)CCC(=O)Nc1cccc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)c1,RSERZOANLRBZSH-UHFFFAOYSA-N
-rxn:4:222332:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)cc1,WOMSHAOGUZSZPC-UHFFFAOYSA-N
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-rxn:5:177891:223142:227507,O=C(SC1CS(=O)(=O)CC1c1cccc(C=C[N+](=O)[O-])c1)c1ccccc1-c1ccc(C2CCCNC2)nc1,DQLYDKFQQDLFJT-UHFFFAOYSA-N
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-rxn:5:177891:225633:223288,CNS(=O)(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCCCCC3)nc2)c1,CWWLYDNWEGCRAY-UHFFFAOYSA-N
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-rxn:5:177891:226644:228879,O=C(SC1CS(=O)(=O)CC1c1ccnn1C1COC1)c1ccccc1-c1cncc(N2CCOCC2)c1,CMERPEYSRDWBSZ-UHFFFAOYSA-N
-rxn:5:177891:226645:223148,O=C(SC1CS(=O)(=O)CC1c1ccccc1C1CNCCO1)c1ccccc1-c1ccnc(N2CCOCC2)c1,LTHRXGXIOKQLNO-UHFFFAOYSA-N
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-rxn:5:177891:226665:223294,O=C(SC1CS(=O)(=O)CC1c1csc(N2CCNCC2)n1)c1ccccc1-c1cnc(C2CCCOC2)nc1,GWUKONODBPQJGE-UHFFFAOYSA-N
-rxn:5:177891:226665:226649,O=C(SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1)c1ccccc1-c1cnc(C2CCCOC2)nc1,AOVYVPYBVJIGKS-UHFFFAOYSA-N
-rxn:5:177891:226794:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc(N3CCSCC3)nc2)ccc1C1COC1,KYEZAGSOPOTNGH-UHFFFAOYSA-N
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-rxn:5:177891:227089:223287,CNS(=O)(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccncc2C2CCCC2)cc1,XCEPOVJONHMDCW-UHFFFAOYSA-N
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-rxn:5:177891:227448:227444,O=C(SC1CS(=O)(=O)CC1c1cncc(C2CCCO2)c1)c1ccccc1-c1ccc(C2COC2)c(F)c1,RPVADAYZTGHIKD-UHFFFAOYSA-N
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-rxn:5:177891:227517:226449,CC1(c2ccccc2C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3COC3)nc2)OCCO1,GOFBBMSNEPIZSN-UHFFFAOYSA-N
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-rxn:5:177891:228321:227449,COC(=O)c1cncc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3CCOCC3)s2)c1,ACQYILRCCSJQTE-UHFFFAOYSA-N
-rxn:5:178117:225683:227710,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(OCC2CCOCC2)c1,CAFKLGVNBYJWOB-UHFFFAOYSA-N
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-rxn:5:178117:227710:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCOCC1,XFRSDELEHAYWHV-UHFFFAOYSA-N
-rxn:5:178118:223000:227804,O=[N+]([O-])c1cc(-c2ccc(-c3ccc(C4CCCNC4)c(F)c3)c(OCC3CCCCO3)c2)c([N+](=O)[O-])s1,DMUGOVNAMSHBFB-UHFFFAOYSA-N
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-rxn:5:178121:223138:227803,CN(C)S(=O)(=O)n1nccc1-c1cccc(OCC2CCOCC2)c1-c1ccnc(C2CCNCC2)c1,NQAAWOUWQMPELD-UHFFFAOYSA-N
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-rxn:5:178295:226926:228443,COC(=O)C1(c2cc(-c3ccc(F)c(SC)c3F)ccc2-c2ccc(C(C)(C)C)cc2C)CCC(=O)CC1,WHURJZYYVKZFNY-UHFFFAOYSA-N
-rxn:5:178295:227028:225886,COC(=O)C1(c2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2cccc(C3(C#N)CC3)c2)CCC(=O)CC1,HAJDQHJPZHOZFJ-UHFFFAOYSA-N
-rxn:5:178295:227117:227077,CCC(C)c1ccc(-c2ccc(-c3cc(C4CC4)cc(C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,KQIQDDHBAQXJGK-UHFFFAOYSA-N
-rxn:5:178295:227309:228803,CCC(C)c1cc(-c2ccc(-c3cc([Si](C)(C)C)cs3)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,HAVABHZKFQTPBF-UHFFFAOYSA-N
-rxn:5:178295:227506:223062,COC(=O)C1(c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2cccc(/C=C/[N+](=O)[O-])c2)CCC(=O)CC1,GPSORFGTUYSETR-LFIBNONCSA-N
-rxn:5:178295:227540:226926,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3C)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,OLGGIJGEIUYMOY-UHFFFAOYSA-N
-rxn:5:178295:227540:227999,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3F)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,NKPGYMUFNWBQRW-UHFFFAOYSA-N
-rxn:5:178295:227560:228562,CCC(C)c1csc(-c2ccc(-c3ccc(OC)c(C(F)F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VFXGFBSYCGCIDS-UHFFFAOYSA-N
-rxn:5:178295:228419:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(F)c(SC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,JUFLHMUMGXWTEC-UHFFFAOYSA-N
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-rxn:5:178313:225440:226907,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3(C#N)CCCC3)cc2)c(-c2cccc3c2CCC32CC2)c1,QPGBPDLSXHQURS-UHFFFAOYSA-N
-rxn:5:178313:225453:226067,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2ccc(C3=CCCCC3)cc2)c1,JTTUNJMXCXNHFA-UHFFFAOYSA-N
-rxn:5:178313:225453:227036,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCCC3)c2)c(-c2cc(C3CC3)ccc2C#N)c1,BORGWWWULDUJMS-UHFFFAOYSA-N
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-rxn:5:178313:226916:225674,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C3=CCCC3)c2)c(-c2cnc(C3CCCCC3)cc2F)c1,DHMQKGRRIPMWLB-UHFFFAOYSA-N
-rxn:5:178313:227066:225407,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C(=O)C3CC3)c2)c(-c2ccc(C3CCCCCC3)cc2)c1,PLXWKKZSRGWQRE-UHFFFAOYSA-N
-rxn:5:178313:227093:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccnc2C2CCCC2)c(-c2cc(C3CCCCC3)ccc2F)c1,LPXBKXWVYBQLDF-UHFFFAOYSA-N
-rxn:5:178313:227102:225453,CC(C)(C)c1ccc(F)c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cccc(SC3CCCCC3)c2)c1,OVLMTYFFAUYLNZ-UHFFFAOYSA-N
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-rxn:5:178314:225498:225450,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCCCC3)ccc2F)ccc1-c1ccc(C(=O)C2CCCC2)cc1,OXZQHCIMGKKONJ-UHFFFAOYSA-N
-rxn:5:178314:225805:228064,CC(c1ccc(-c2ccc(-c3cnc4c(c3)C(=O)CC4)c(O[Si](C)(C)C(C)(C)C)c2)s1)N1CCOCC1,YPWZNZNWZJRJCB-UHFFFAOYSA-N
-rxn:5:178314:226060:225451,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CC3)cc(C3CC3)c2)ccc1-c1ccc(SC2CCCCC2)cc1,CFWZOWPXJGLDDD-UHFFFAOYSA-N
-rxn:5:178314:227048:225671,CC(C)C(=O)c1ccc(-c2ccc(-c3cc(C4CCCCC4)ncc3F)c(O[Si](C)(C)C(C)(C)C)c2)cc1,SUSMKOYCVWMHID-UHFFFAOYSA-N
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-rxn:5:178466:223063:225982,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1cnc(N2CCOCC2)cc1F,IUFVPPXSOMZWRG-UHFFFAOYSA-N
-rxn:5:178466:225976:225639,CC1CCN(c2ncccc2-c2c(C(=O)OC(C)C)sc3cc(-c4ccnc(N5CCOCC5)c4F)ccc23)CC1,ZBEJRUFPTTUXCH-UHFFFAOYSA-N
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-rxn:5:178467:223062:225632,CCOC(=O)C1=Cc2cc(-c3cccc(N4CCN(C)CC4)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,QYWQOEWFPSKZJI-UHFFFAOYSA-N
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-rxn:5:178467:223141:227065,CCOC(=O)C1=Cc2cc(-c3cccc(C(=O)C(C)C)c3)cc(-c3cncc(C4CCNCC4)c3)c2OC1,FGDFCLWMUWAOGP-UHFFFAOYSA-N
-rxn:5:178467:223294:227524,CCOC(=O)C1=Cc2cc(-c3cc(OC)c(C#N)cc3F)cc(-c3csc(N4CCNCC4)n3)c2OC1,GKZHUDNWLWQQAW-UHFFFAOYSA-N
-rxn:5:178467:223378:226661,CCOC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3cnc4c(c3)NCCO4)c2OC1,CKSNTOBTVPZQIJ-UHFFFAOYSA-N
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-rxn:5:178467:225515:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cccc4c3OCC(C)(C)CO4)c2OC1,QIHBQEOWUJGIKI-UHFFFAOYSA-N
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-rxn:5:178467:225834:226663,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,UXXWBJCBZPYYKS-UHFFFAOYSA-N
-rxn:5:178467:225834:227387,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCC4)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,OHIYIYCAQBMJTP-UHFFFAOYSA-N
-rxn:5:178467:225982:223139,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,GRORMUYHJZAXDB-UHFFFAOYSA-N
-rxn:5:178467:225982:223141,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,RWDYOIMDXRMMJV-UHFFFAOYSA-N
-rxn:5:178467:226320:223136,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3cc(C4(C#N)CC4)ccc3F)c2OC1,YBYQQQCHEPMUJZ-UHFFFAOYSA-N
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-rxn:5:178467:226794:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,UCHXCHNFDNXNFR-UHFFFAOYSA-N
-rxn:5:178467:227303:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cccc(CN(C)C)c3F)c2OC1,PRTIMDVDRCUQRN-UHFFFAOYSA-N
-rxn:5:178467:228653:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cnn4c3CCCC4)c2OC1,GFQKPHRRILIUJQ-UHFFFAOYSA-N
-rxn:5:178467:228702:225943,CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCOCC4)s3)cc(-c3cncnc3C(C)C)c2OC1,IGIFDQDKTBHGCZ-UHFFFAOYSA-N
-rxn:5:178467:228964:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnc(C(=O)OC)s3)c2OC1,TZHQPIIVRAQEMP-UHFFFAOYSA-N
-rxn:5:178467:228974:225799,CCOC(=O)C1=Cc2cc(-c3cncc(OC4CCOCC4)c3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,WPSOCLBADSYDRF-UHFFFAOYSA-N
-rxn:5:179629:226661:225514,COc1ccc(-c2cc(N3CCN(C)CC3)cs2)c(S(C)(=O)=O)c1-c1cccc2c1OCC1(CC1)CO2,MMRFYKFXXFQGIG-UHFFFAOYSA-N
-rxn:5:180022:222988:225926,COc1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc(-c2cc(C)nc(C3CCNCC3)c2)c1C1OCCO1,SKGJIBKRPUGITA-UHFFFAOYSA-N
-rxn:5:180022:223140:225926,COc1c(-c2ccc(S(=O)(=O)N3CCC3)cc2)ccc(-c2ccnc(C3CCCNC3)c2)c1C1OCCO1,JAFPEWDRNCDBOV-UHFFFAOYSA-N
-rxn:5:180022:225926:222988,COc1c(-c2cc(C)nc(C3CCNCC3)c2)ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1C1OCCO1,OAVNQODBTLNZRQ-UHFFFAOYSA-N
-rxn:5:180022:225926:223142,COc1c(-c2ccc(C3CCCNC3)nc2)ccc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c1C1OCCO1,PSSCYEPHVJSBDO-UHFFFAOYSA-N
-rxn:5:180092:225976:223064,C[Si](C)(C)C#Cc1cc(-c2ccc(C3CCNCC3)nc2F)cc(-c2ccnc(N3CCOCC3)c2F)c1,JCGKTAMYTCLQLC-UHFFFAOYSA-N
-rxn:5:180267:225928:225946,CSc1cc(C(C)(C)C)cc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c1-c1cc(C(C)=O)cc(C(F)(F)F)c1,JNALOTCQTVUICB-UHFFFAOYSA-N
-rxn:5:180402:226916:225395,CC(C)(C)c1cc(-c2cc(-c3cccc(C4=CCCC4)c3)ccc2C(=O)C2CCCCC2)cc(C2CC2)c1,DRIQJOIRCIZROW-UHFFFAOYSA-N
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-rxn:5:180602:226665:225438,COC(=O)C1Cc2cc(-c3ccc(C(C)N4CCCC4)cc3)cc(-c3cnc(C4CCCOC4)nc3)c2O1,DWZZIHNHVCGJSY-UHFFFAOYSA-N
-rxn:5:180602:226794:225926,COC(=O)C1Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3cnc(N4CCSCC4)nc3)c2O1,LJQNVJOSWBBJFF-UHFFFAOYSA-N
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-rxn:5:180662:223138:226144,COC(=O)C1=Cc2cc(-c3ccc(C#C[Si](C)(C)C)cc3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,QNUZASUTYKCLCN-UHFFFAOYSA-N
-rxn:5:180662:223140:226188,COC(=O)C1=Cc2cc(-c3cc(C)c([Si](C)(C)C)cc3C)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,GIXDUGFOCUFRAZ-UHFFFAOYSA-N
-rxn:5:180662:225641:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccnc(N4CCCC(C)C4)c3)c2OC1,CZVDSVKAQXVQCI-UHFFFAOYSA-N
-rxn:5:180662:226148:227613,COC(=O)C1=Cc2cc(-c3cnn(C4CCOCC4)c3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,AVPJDFWVGDDSGJ-UHFFFAOYSA-N
-rxn:5:180662:226188:223135,COC(=O)C1=Cc2cc(-c3cccnc3C3CCCNC3)cc(-c3cc(C)c([Si](C)(C)C)cc3C)c2OC1,IDUATFPDHJPVQK-UHFFFAOYSA-N
-rxn:5:180662:226188:223140,COC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cc(C)c([Si](C)(C)C)cc3C)c2OC1,VOXNEBNYCTTWGM-UHFFFAOYSA-N
-rxn:5:180662:226188:223141,COC(=O)C1=Cc2cc(-c3cncc(C4CCNCC4)c3)cc(-c3cc(C)c([Si](C)(C)C)cc3C)c2OC1,HUPLQWPPXRWEIV-UHFFFAOYSA-N
-rxn:5:180662:226188:226685,COC(=O)C1=Cc2cc(-c3cnc(C4CCOCC4)nc3)cc(-c3cc(C)c([Si](C)(C)C)cc3C)c2OC1,OCHVMZNWQNEYHI-UHFFFAOYSA-N
-rxn:5:180662:226424:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cc(N4CCCC(C)C4)cs3)c2OC1,QBKOSQGTWJCQGZ-UHFFFAOYSA-N
-rxn:5:180662:226679:225849,COC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,OFCZMIUYMOUPCQ-UHFFFAOYSA-N
-rxn:5:180662:227710:225794,COC(=O)C1=Cc2cc(-c3cnc(OC4CCCCC4)nc3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,GYWAYXUNVYCCJX-UHFFFAOYSA-N
-rxn:5:181625:225832:223002,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1C1OCCO1,SYUUYPSFGSVKCM-UHFFFAOYSA-N
-rxn:5:181904:226686:225472,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1cccc(N2CCCCC2C)c1,FPCRXQCSAMEBOD-UHFFFAOYSA-N
-rxn:5:181904:226686:226330,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(C(C)N2CCCC2)s1,JWTQVLKLBUVWTI-UHFFFAOYSA-N
-rxn:5:181905:225926:226661,Cc1ccc(-c2cc(N3CCN(C)CC3)cs2)c(C2OCCO2)c1-c1ccc(S(=O)(=O)N2CCC2)cc1,OEVSSHAKDNKJBB-UHFFFAOYSA-N
-rxn:5:181905:225926:226662,Cc1ccc(-c2ccc(N3CCN(C)CC3)s2)c(C2OCCO2)c1-c1ccc(S(=O)(=O)N2CCC2)cc1,OWWWUAWEGUASFA-UHFFFAOYSA-N
-rxn:5:181907:222988:226686,Cc1cc(-c2cc(C)nc(C3CCNCC3)c2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,PVQHDPQVLIMKIY-UHFFFAOYSA-N
-rxn:5:181907:225585:225683,Cc1cc(-c2ccccc2CN2CCOCC2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,BRCXIRKYRPAVFB-UHFFFAOYSA-N
-rxn:5:181907:225607:226182,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cccnc2C2CCCCC2)c(C2OCCO2)c1,PPNZHKIKCGNCEC-UHFFFAOYSA-N
-rxn:5:181907:225926:226662,Cc1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)c(-c2ccc(N3CCN(C)CC3)s2)c(C2OCCO2)c1,FWORQZPSEUBKGC-UHFFFAOYSA-N
-rxn:5:181908:223148:225607,Cc1cc(-c2ccccc2C2CNCCO2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,CRGSKFLTNWVFND-UHFFFAOYSA-N
-rxn:5:181908:225607:226183,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cnccc2C2CCCCC2)cc1C1OCCO1,KOOQUPIGIRASHM-UHFFFAOYSA-N
-rxn:5:181908:226183:225607,Cc1cc(-c2cnccc2C2CCCCC2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,FFGXGEGUMDIPSZ-UHFFFAOYSA-N
-rxn:5:181908:226686:225464,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cccc(N3CCCC(C)C3)c2)cc1C1OCCO1,PQDXFNZZDZJFRD-UHFFFAOYSA-N
-rxn:5:182010:226686:223061,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1C1CCOCC1,XQSOACQXONEOJB-UHFFFAOYSA-N
-rxn:5:182012:222996:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1C1CCCOC1,OERTXJZSEQKMQU-UHFFFAOYSA-N
-rxn:5:182012:225832:226364,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(N3CCCCC3)nc2)c(C2CCCOC2)c1,XQJUJPCSRJOMBW-UHFFFAOYSA-N
-rxn:5:182012:226686:225638,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(N3CCC(C)CC3)nc2)c(C2CCCOC2)c1,ADLHWDZMIQEGJR-UHFFFAOYSA-N
-rxn:5:183190:226031:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc2c(c(-c3ccc(C(F)(F)F)cc3C(F)F)c1)CC(C)(C)C2=O,FNPNQPOJTXFTBC-UHFFFAOYSA-N
-rxn:5:183229:225930:225824,Cc1ccc(S(=O)(=O)N(C)C)c(-c2cc(-c3cc(C4CC4)cc(C(F)(F)F)c3)c3c(c2)C(C)(C)CCS3)c1,HTDWZQZINRCFSX-UHFFFAOYSA-N
-rxn:5:188930:225639:227656,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)cc1-c1cc(N2CCOCC2)cs1,JGZTZVYJWBFNLM-UHFFFAOYSA-N
-rxn:5:188930:227437:225600,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCCO3)c2)cc1-c1cccnc1OC1CCCCC1,HLKGSTRWZIHLOA-UHFFFAOYSA-N
-rxn:5:188932:226139:226321,COC(=O)c1cc(-c2ccc(SC3CCCC3)nc2)c(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)c1,QHDHUIUQRSEEIA-UHFFFAOYSA-N
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-rxn:5:189079:225784:225978,CCN(C)C(=O)c1ccc(-c2ccc(N3CCOCC3)nc2F)c(-c2ccc(CN3CCOCC3)nc2)c1,DYACCHGPQAWYOF-UHFFFAOYSA-N
-rxn:5:189079:225976:225784,CCN(C)C(=O)c1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccnc(N3CCOCC3)c2F)c1,VBJUQLMIFIONDI-UHFFFAOYSA-N
-rxn:5:189079:225976:226583,CCN(C)C(=O)c1ccc(-c2ccc(CN3CCOCC3)s2)c(-c2ccnc(N3CCOCC3)c2F)c1,GZLLFBUMDQURPE-UHFFFAOYSA-N
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-rxn:5:189079:226424:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2cc(N3CCCC(C)C3)cs2)c1,ZNSRHMDBIYIQBY-UHFFFAOYSA-N
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-rxn:5:189079:226427:223064,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2cc(N3CCC(C)CC3)cs2)c1,VYLYLJCDAXUAEU-UHFFFAOYSA-N
-rxn:5:189079:226429:223062,CCN(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCCC(C)C3)s2)c1,LFYBJIOXKXZEQO-UHFFFAOYSA-N
-rxn:5:189079:226583:223064,CCN(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)c(-c2ccc(CN3CCOCC3)s2)c1,SYRPUIAPYKPKNT-UHFFFAOYSA-N
-rxn:5:189079:226654:223061,CCN(C)C(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2csc(N3CCC(C)CC3)n2)c1,MYLRMAYGBYSTMJ-UHFFFAOYSA-N
-rxn:5:189083:225976:225784,CCN(C)C(=O)c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1ccc(CN2CCOCC2)nc1,MPVDWHNRPLXPPU-UHFFFAOYSA-N
-rxn:5:189083:225982:225978,CCN(C)C(=O)c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1ccc(N2CCOCC2)nc1F,VUKOHXAFXCBUNZ-UHFFFAOYSA-N
-rxn:5:189083:226654:225976,CCN(C)C(=O)c1cccc(-c2csc(N3CCC(C)CC3)n2)c1-c1ccnc(N2CCOCC2)c1F,OCYMRMFCFIRGOJ-UHFFFAOYSA-N
-rxn:5:189083:226661:225978,CCN(C)C(=O)c1cccc(-c2cc(N3CCN(C)CC3)cs2)c1-c1ccc(N2CCOCC2)nc1F,SCVDVURBPVHXAK-UHFFFAOYSA-N
-rxn:5:189083:226661:225980,CCN(C)C(=O)c1cccc(-c2cc(N3CCN(C)CC3)cs2)c1-c1cc(N2CCOCC2)ncc1F,CYVIVJOQFRDIAS-UHFFFAOYSA-N
-rxn:5:189208:225601:223112,CC(C)c1ccc2[nH]ncc2c1-c1cc(-c2ccc(C3(C#N)CCC3)cc2F)ccc1C(=O)ON1C(=O)CCC1=O,FGPDIJFDCHKLJE-UHFFFAOYSA-N
-rxn:5:189211:225703:226781,COC(=O)c1cc2cc(-c3cccc(C(=O)ON4C(=O)CCC4=O)c3-c3cc(C)cc(OC(F)(F)F)c3)ccc2s1,NLDYIOFGEODZKT-UHFFFAOYSA-N
-rxn:5:189211:226867:223341,O=C1Cc2cc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3c(F)cccc3OC(F)(F)F)ccc2N1,PENRKYGEGHTHHL-UHFFFAOYSA-N
-rxn:5:189449:226603:226350,COC(=O)c1cc(F)c(C)c(-c2ccc(-c3ccc(C)c(C(=O)OC)c3C)cc2C(=O)N2CC(OC)C2)c1,KGAHFJDDICRRQC-UHFFFAOYSA-N
-rxn:5:189667:225498:227052,CC(C)(C)Sc1ccc(-c2cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c3cc(C4CCCCC4)ccc3F)c2)cc1,RHIPEECOPSDGFZ-ATGGPKJLSA-N
-rxn:5:189671:225498:227045,CC(C)(C)Sc1cccc(-c2cccc(-c3cc(C4CCCCC4)ccc3F)c2/C=N/S(=O)C(C)(C)C)c1,BBZWKJBNZZXMNH-FADJLKOXSA-N
-rxn:5:189909:223113:225655,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)c(CCN4CCOCC4)c3)c2)CC1,GPQHITIGEGPBPA-UHFFFAOYSA-N
-rxn:5:189909:226366:225982,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2ccnc(N3CCCCC3)c2)c(CCN2CCOCC2)c1,CIOFZFHVUGSNDX-UHFFFAOYSA-N
-rxn:5:189952:223378:223064,COc1c(-c2cnc3c(c2)NCCO3)cc(C(=O)N2CCOCC2)cc1-c1ccc(C2CCNCC2)nc1F,NCKCBGQTLDANCT-UHFFFAOYSA-N
-rxn:5:189952:226767:227800,COc1ccc(C(F)(F)F)c(-c2cc(C(=O)N3CCOCC3)cc(-c3cc(F)nc(C(F)(F)F)c3)c2OC)c1,HTIRAVIFSCKJQC-UHFFFAOYSA-N
-rxn:5:190001:226084:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc3c(c2)C(=O)CCCC3)c1,BYGCPEOQNYQVSB-UHFFFAOYSA-N
-rxn:5:190001:227029:226164,CC(C)(C#N)c1ccccc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1ccc(N2CCCCC2)cc1,XYONUKPZPDDQJY-UHFFFAOYSA-N
-rxn:5:190001:227103:227029,CC(C)(C#N)c1ccccc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1sccc1C1CCCCC1,UORKUAPXIPJPAG-UHFFFAOYSA-N
-rxn:5:190127:227547:226371,COC1CCN(C(=O)c2cc(-c3ccc(OC(F)F)c(C)c3)ccc2-c2cnc(N3CCCC3)cc2C)CC1,BRIKVYQKXMPJJJ-UHFFFAOYSA-N
-rxn:5:190131:225811:225886,COc1c(-c2ccc(C3(C(F)(F)F)CC3)cc2)cc(C(=O)N2CCCCC2)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,JCAIXIRCVRGROS-UHFFFAOYSA-N
-rxn:5:190131:226382:228292,COc1c(-c2cnc(C3CCCCC3)nc2)cc(C(=O)N2CCCCC2)cc1-c1ccnc2c1OCCO2,NEQRPNYYIXDVAQ-UHFFFAOYSA-N
-rxn:5:190132:226189:227935,CCc1cc(-c2cc(-c3ccc(C4CCCC4)c(F)c3)ccc2C(=O)N2CCC(OC)CC2)ccc1OC,MCQDHJYYDGXFRI-UHFFFAOYSA-N
-rxn:5:190132:226583:225976,COC1CCN(C(=O)c2ccc(-c3ccc(CN4CCOCC4)s3)cc2-c2ccnc(N3CCOCC3)c2F)CC1,DLXZFPBATIEEGV-UHFFFAOYSA-N
-rxn:5:190194:225499:227940,CCc1cc(SC)cc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCCC3)cc2F)c1,RPFIASAZVDASDS-UHFFFAOYSA-N
-rxn:5:190195:222417:223061,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1cc(C2CCNCC2)ncc1F,GGDGRJDGDQUHCQ-UHFFFAOYSA-N
-rxn:5:190195:223061:226644,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2cncc(N3CCOCC3)c2)c1)C1CCOCC1,QQCPPZQPUDIAQZ-UHFFFAOYSA-N
-rxn:5:190196:225976:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1CN(C)C1CCOCC1,JQMNMNWSSDYXBA-UHFFFAOYSA-N
-rxn:5:190197:227458:225976,CN1CCOc2cc(-c3cc(-c4ccnc(N5CCOCC5)c4F)ccc3CN(C)C3CCOCC3)cnc21,VUNJSOBXLGLRMC-UHFFFAOYSA-N
-rxn:5:190198:226753:227065,COc1ccc(-c2cccc(-c3cccc(C(=O)C(C)C)c3)c2CN(C)C2CCOCC2)c(C(F)(F)F)c1,QSHSDVWVRHBSTD-UHFFFAOYSA-N
-rxn:5:190198:226794:227795,CN(Cc1c(-c2cnc(N3CCSCC3)nc2)cccc1-c1ccc(F)c([N+](=O)[O-])c1F)C1CCOCC1,DNMNXIOYKUHBSS-UHFFFAOYSA-N
-rxn:5:190200:225945:227766,CCn1nc(C(F)(F)F)cc1-c1cc(CN(C)C2CCOCC2)cc(-c2ccc(C#CC(F)(F)F)c(F)c2)c1,LRDLRKRFXDZLQP-UHFFFAOYSA-N
-rxn:5:190201:226875:226663,CC1CN(CCc2cc(-c3cc(F)c(OC(F)F)cc3F)ccc2-c2ccc(N3CCSCC3)nc2)CCO1,DCYQWHWSICEMQC-UHFFFAOYSA-N
-rxn:5:190231:223343:226827,COc1c(-c2ccc3c(c2)NC(=O)C3)cc(C(=O)N2CCOC(C)C2)cc1-c1ccc(C(F)(F)F)c(C)c1F,NSCMMTFRHMBUHK-UHFFFAOYSA-N
-rxn:5:190307:222988:226737,Cc1cc(-c2ccc(-c3ccc(C(F)(F)F)c(C#N)c3)c(CCN3CCC(C)CC3)c2)cc(C2CCNCC2)n1,VAOFOSLXDJTKFY-UHFFFAOYSA-N
-rxn:5:190307:225394:225886,CC1CCN(CCc2cc(-c3cc(C4CCC4)cc(C4CC4)c3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CC1,RDZWTEWBIGLHKJ-UHFFFAOYSA-N
-rxn:5:190307:227166:226045,CC1CCN(CCc2cc(-c3ccc4c(c3)OCCN4C)ccc2-c2ccc(C(F)(F)C(F)(F)F)nc2)CC1,KXMVLVARWOGGOG-UHFFFAOYSA-N
-rxn:5:190309:226572:226322,Cc1cc(C(=O)N(C)C)ccc1-c1ccc(-c2cnc(OC3CCCC3)nc2)cc1CCN1CCCCC1C,ILHFBKZPLMDLDL-UHFFFAOYSA-N
-rxn:5:190335:227561:226323,COc1cc(F)c(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(OC4CCCC4)nc3)c2OC)cc1OC,ASTQEWSXLLXFQP-UHFFFAOYSA-N
-rxn:5:190484:223354:223138,CNC(=O)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnc(C5CCNCC5)c4)S(=O)(=O)CC3)c2)cc1,IRZUHUHDUQKGMJ-UHFFFAOYSA-N
-rxn:5:190484:226188:227319,Cc1cc([Si](C)(C)C)c(C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(CC(C)C)ncc3F)S(=O)(=O)CC2)c1,APEBMNPPYHUFPS-UHFFFAOYSA-N
-rxn:5:190484:226662:223311,CN1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cccc(C6CNC6)c5)S(=O)(=O)CC4)c3)s2)CC1,LSVBFJCXQGMRQJ-UHFFFAOYSA-N
-rxn:5:190484:227052:226190,CC(C)(C)Sc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCCC5)cc4F)S(=O)(=O)CC3)c2)cc1,RMCIQYUXIXYGCD-UHFFFAOYSA-N
-rxn:5:190484:227311:227823,CCC(C)c1cc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccccc4C(C)(C)C)S(=O)(=O)CC3)c2)cn1,FFYSTIRCJYTPJM-UHFFFAOYSA-N
-rxn:5:190484:227415:226190,CC(C)(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5CCCC5)cc4F)S(=O)(=O)CC3)c2)c(F)n1,DDBIYSBGVOXMAM-UHFFFAOYSA-N
-rxn:5:190484:227709:228385,Cc1cc(-c2ccccc2C2CCN(C(=O)c3cccc(-c4cccc(OC(F)(F)F)c4)c3)CCS2(=O)=O)ccc1[N+](=O)[O-],LYGMNQAMWAXEEC-UHFFFAOYSA-N
-rxn:5:190484:228564:227102,CCC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ccc4F)S(=O)(=O)CC3)c2)s1,MCSYXMHWFMBHMO-UHFFFAOYSA-N
-rxn:5:190711:226662:223065,CCOC(=O)c1c(-c2ccc(N3CCNCC3)cc2F)c2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2n1C,WNZSMQAYRTZTCC-UHFFFAOYSA-N
-rxn:5:190740:225881:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1-c1ccnc(N2CCOCC2)c1F,RTCGMRZSNZEVJZ-UHFFFAOYSA-N
-rxn:5:190740:225982:225978,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccc(N2CCOCC2)nc1F,FOKFFAIGTVTGST-UHFFFAOYSA-N
-rxn:5:190740:226662:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCN(C)CC4)s3)cc2c1-c1ccnc(N2CCOCC2)c1F,GDUPIDKQOHRZQF-UHFFFAOYSA-N
-rxn:5:190742:226583:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(N2CCNCC2)cc1F,QEEUDWGRMGHMDS-UHFFFAOYSA-N
-rxn:5:190744:225633:225980,CCOC(=O)c1cnc2c(-c3ccc(N4CCCCCC4)nc3)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,SVHSVWMOFZADQL-UHFFFAOYSA-N
-rxn:5:190744:225656:225833,CCOC(=O)c1cnc2c(-c3cncc(N4CCCCC4C)c3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,XACGWNKWRGJXNQ-UHFFFAOYSA-N
-rxn:5:190796:225450:226062,CC(C)c1cc(-c2cccc3c2c(-c2ccc(C(=O)C4CCCC4)cc2)cn3C(=O)OC(C)(C)C)cc(C(C)C)c1,KQWRUMZJTTYPTI-UHFFFAOYSA-N
-rxn:5:190799:225407:225453,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C4CCCCCC4)cc3)c(-c3cccc(SC4CCCCC4)c3)ccc21,PCODEXIQEWZCSB-UHFFFAOYSA-N
-rxn:5:190833:223011:225818,CC(C)Oc1cc2cn[nH]c2cc1-c1ccc(-c2ccc(C(F)(F)F)cc2C2CC2)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,PXVVEUOUZXYMOF-UHFFFAOYSA-N
-rxn:5:190859:225886:225437,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc3c(ccn3S(C)(=O)=O)c1)c2-c1cccc(CN2CCCCC2)c1,BDVJDQNNUQGIBL-UHFFFAOYSA-N
-rxn:5:191026:223269:228157,COC(=O)C1=CN(c2ccc(C)c(-c3ccc(OC)cc3OC)c2)c2cc(-c3ccc(NC(C)=O)c(F)c3)ccc2S1(=O)=O,OXONYMOCPRDBID-UHFFFAOYSA-N
-rxn:5:191026:227346:227569,CCCc1cc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(OC)ccc(F)c4OC)c2)C=C(C(=O)OC)S3(=O)=O)c(F)c1,BVFOEHOCZDYUSR-UHFFFAOYSA-N
-rxn:5:191026:228178:227705,COCc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cnc(C(F)F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,QKKUICTVVXAUEK-UHFFFAOYSA-N
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-rxn:5:191049:226794:225980,COc1cc(N2Cc3cc(-c4cnc(N5CCSCC5)nc4)ccc3OCC2=O)c(OC)cc1-c1cc(N2CCOCC2)ncc1F,QGUWFOGGISKEFG-UHFFFAOYSA-N
-rxn:5:193051:225798:225632,CN1CCN(c2cccc(-c3cc(-c4ccc(OC5CCOCC5)nc4)ccc3CN3CCCC3=O)c2)CC1,RKIXVRILPCUCAD-UHFFFAOYSA-N
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-rxn:5:193229:225655:225976,CC1CCN(c2cncc(-c3cccc(C(=O)N4CCOCC4)c3-c3ccnc(N4CCOCC4)c3F)c2)CC1,PITGNPZHHLWEJV-UHFFFAOYSA-N
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-rxn:5:193506:227507:227437,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2-c2ccnc(C3CCCO3)c2)CC1,GZQCPRNQAYFANW-UHFFFAOYSA-N
-rxn:5:193506:227684:223054,CC(c1ccc(-c2cc(-c3cnn(CC4OCCO4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,MQORQRVVICDSSU-UHFFFAOYSA-N
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-rxn:5:193807:226035:227612,COc1ccc(C(F)(F)F)c(F)c1-c1c(CN2CCC(C)CC2)cccc1-c1cnn(C2CCCCO2)c1,SOEBBWLZYVQZKU-UHFFFAOYSA-N
-rxn:5:193808:226686:227458,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cnc3c(c2)OCCN3C)c(CN2CCC(C)CC2)c1,HCJPBQZXWWAAPP-UHFFFAOYSA-N
-rxn:5:193867:225456:228723,CN1CCC(c2ccc(-c3cc(-c4ccc(C#N)c(F)c4)cc(C4(N5CCC(=O)CC5)CC4)c3)cc2)CC1,VACRKMZLHDCYPK-UHFFFAOYSA-N
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-rxn:5:193870:223148:226424,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(N3CCCC(C)C3)cs2)cc1-c1ccccc1C1CNCCO1,SJCVOEHQIYCWAV-UHFFFAOYSA-N
-rxn:5:193870:223148:226428,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(N3CCCCC3C)cs2)cc1-c1ccccc1C1CNCCO1,JMVXTILQISDRHN-UHFFFAOYSA-N
-rxn:5:193870:223148:226429,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCC(C)C3)s2)cc1-c1ccccc1C1CNCCO1,WUYSIWPJXPSHQX-UHFFFAOYSA-N
-rxn:5:193870:227992:226661,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cc(N3CCN(C)CC3)cs2)cc1-c1ccc(C2COC2)cc1,GEYRUUOBBZMZDF-UHFFFAOYSA-N
-rxn:5:193871:223348:222405,O=C1NC(=O)C(c2cccc(-c3ccc(C(=O)N4CCC5(CC4)CC5)cc3-c3ccc4c(c3)C(=O)NC4)c2)N1,FMSLWGWPBRJDPV-UHFFFAOYSA-N
-rxn:5:193871:225593:223148,O=C(c1ccc(-c2ccccc2C2CNCCO2)c(-c2cc(F)cc(CN3CCCC3)c2)c1)N1CCC2(CC1)CC2,ZIHQCPMTLUUVNA-UHFFFAOYSA-N
-rxn:5:193871:225880:225653,CC1CCCCN1c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cc(C3CCOCC3)ncc2F)cn1,QUXXDFPDBQJZDD-UHFFFAOYSA-N
-rxn:5:193871:228292:226438,O=C(c1ccc(-c2cnc(C3CCCC3)cc2F)c(-c2ccnc3c2OCCO3)c1)N1CCC2(CC1)CC2,LJQIJUOLGQDRFM-UHFFFAOYSA-N
-rxn:5:193967:227992:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(C3COC3)cc2)ccc1CN1CCC2(CC1)OCCO2,GPBBVVHGVJATMV-UHFFFAOYSA-N
-rxn:5:193967:228631:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccsc2C2CCC2)ccc1CN1CCC2(CC1)OCCO2,LRUHXCLZWMTTCW-UHFFFAOYSA-N
-rxn:5:193968:228631:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccsc2C2CCC2)cc1CN1CCC2(CC1)OCCO2,BDANEQVBMNMVCI-UHFFFAOYSA-N
-rxn:5:193968:229016:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccsc2C2CC2)cc1CN1CCC2(CC1)OCCO2,MALRCHLACXNQDE-UHFFFAOYSA-N
-rxn:5:193972:223004:228982,C#Cc1ccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(C4CCNCC4)c(F)c3)cc2C)cc1,NHIPOFJZRZLPTR-UHFFFAOYSA-N
-rxn:5:194058:225810:223054,COc1ccc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2ccc(C(C)N3CCC(O)C3)s2)c(C2OCCO2)c1,NNUXMQHIRMUGJF-UHFFFAOYSA-M
-rxn:5:194733:223061:223456,O=C(c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1-c1ccc(=O)[nH]n1)N1C2CCC1CC(=C1CC1)C2,PPPPIMOVQDTJNP-UHFFFAOYSA-N
-rxn:5:194767:222996:225857,Cc1ccn(-c2cc(F)cc(-c3ccc(-c4ccc(F)cc4C4CCCNC4)cc3C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)n1,OUMQVYDMGQNRPS-UHFFFAOYSA-N
-rxn:5:194767:227320:227861,COc1cccc(N(C)C)c1-c1ccc(-c2cnc3c(c2)CCCC3)c(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)c1,SQZBEONIWLJPNK-UHFFFAOYSA-N
-rxn:5:194767:227974:227408,COc1cc(C)c(-c2ccc(-c3cc(C4CCC4)ncc3F)c(C(=O)N3CCCC4(C3)OC(=O)c3ccccc34)c2)c(C)c1,SQDQLIBAHXOUKQ-UHFFFAOYSA-N
-rxn:5:194782:228326:227934,CCOc1ccc(C)c(-c2ccc(-c3cc(OC)nc(OC)c3)cc2C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1,CWQVWGVUNGATRI-UHFFFAOYSA-N
-rxn:5:194786:225924:226064,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1ccc(-c2cc3c(n2-c2ccc(-c4ccc(C5CCCCC5)cc4)cc2)CC(C)(C)CC3=O)cc1,YGEIUFNFVPLZMY-UHFFFAOYSA-N
-rxn:5:194792:228609:225978,COc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccc(N7CCOCC7)nc6F)cc5)C(=O)C34)cc2)ccc1C,RFVZQKBTRYAOIZ-UHFFFAOYSA-N
-rxn:5:196794:225978:226583,O=C1COCCN1c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1ccc(CN2CCOCC2)s1,BEWJZZWXDCWUFU-UHFFFAOYSA-N
-rxn:5:196859:225832:226186,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCOCC2)ccnc1-c1ccccc1C1CCOCC1,KRCHNSZXDCBONN-UHFFFAOYSA-N
-rxn:5:196873:225982:225976,Fc1cc(N2CCOCC2)ncc1-c1ccc(N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,FPYLPELEORLLLD-UHFFFAOYSA-N
-rxn:5:196916:225641:226346,Cc1cc(OC(C)C)c(F)c(-c2ccc(N3CCCCC3=O)c(-c3ccnc(N4CCCC(C)C4)c3)c2)c1,TUXRETGMZGQNEG-UHFFFAOYSA-N
-rxn:5:196970:225832:227390,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccnn1C1CCCCC1,JYKKNWYFSLNFAH-UHFFFAOYSA-N
-rxn:5:196978:227610:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccn(C3CCCCO3)n2)ccc1N1CCCCC1,RYEDZPBHQRERBP-UHFFFAOYSA-N
-rxn:5:197876:225395:228749,CC(C)(C)c1cc(-c2cc3c(cc2-c2cc(C#N)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,YMNMWCNZUUBHFD-UHFFFAOYSA-N
-rxn:5:197876:225455:226912,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cc(N4CCCCC4)ccc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,YJPXYGOXOJQVHB-UHFFFAOYSA-N
-rxn:5:197876:225498:227860,CN1CCc2cc(-c3cc4c(cc3-c3cc(C5CCCCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,CNLSDSZRIQKIER-UHFFFAOYSA-N
-rxn:5:197876:225498:227943,Cc1ccc(N(C)C)c(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,VNWGXHXRDXGCAO-UHFFFAOYSA-N
-rxn:5:197876:225498:228420,CSc1c(F)cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,AIUAQQMWQBYTDN-UHFFFAOYSA-N
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-rxn:5:197876:225591:223421,CNC(C)c1ccc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1,ZOBAMRKLRWZTIZ-UHFFFAOYSA-N
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-rxn:5:197876:225625:226768,CSc1ccc(-c2cc3c(cc2-c2cc(OC4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,UPZCKYAWJSKSGB-UHFFFAOYSA-N
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-rxn:5:197876:225679:228564,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1,LCYKKNSODDTXKQ-UHFFFAOYSA-N
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-rxn:5:197876:225937:227937,CC(C)Sc1cccc(-c2cc3c(cc2-c2cc(C(F)(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WRWNBTZVJPYHEQ-UHFFFAOYSA-N
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-rxn:5:197876:226067:227823,CC(C)(C)c1ccccc1-c1cc2c(cc1-c1ccc(C3=CCCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,ZSOQITOVUWKJLR-UHFFFAOYSA-N
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-rxn:5:197876:226068:227838,Cc1ccc(C2CC2)c(-c2cc3c(cc2-c2c(C)cc(C(C)(C)C)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MZJRYUXGMOTRET-UHFFFAOYSA-N
-rxn:5:197876:226084:228445,CC(C)(C)N1C(=O)c2cc(-c3c(F)cccc3C(F)F)c(-c3ccc4c(c3)C(=O)CCCC4)cc2S1(=O)=O,XPVIWHLAQASNJU-UHFFFAOYSA-N
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-rxn:5:197876:226190:227292,CN(C)Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,JEHGEIBRGMBIAY-UHFFFAOYSA-N
-rxn:5:197876:226191:227041,CCOc1cc(C)c(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,DTKBEYQRWURERV-UHFFFAOYSA-N
-rxn:5:197876:226191:227900,CC(C#N)c1ccccc1-c1cc2c(cc1-c1cc(C3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WQSADPZGFAJFFA-UHFFFAOYSA-N
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-rxn:5:197876:226320:227937,CC(C)Sc1cccc(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JVZIMVYNTIFOAI-UHFFFAOYSA-N
-rxn:5:197876:226322:225824,Cc1cc(C(=O)N(C)C)ccc1-c1cc2c(cc1-c1cc(C3CC3)cc(C(F)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,DHGHRDNCKGIJJB-UHFFFAOYSA-N
-rxn:5:197876:226325:227289,CC(C)(C)Oc1ncccc1-c1cc2c(cc1-c1ccc(C(C)(C)C#N)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WYMJZXBYUKHNBE-UHFFFAOYSA-N
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-rxn:5:197876:226331:226137,CC(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1ccc(C3(C#N)CC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,AUCAGWFBGLVYNE-UHFFFAOYSA-N
-rxn:5:197876:226346:227904,CCN(C)c1ccc(-c2cc3c(cc2-c2cc(C)cc(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,DNVWVZVIJALKNK-UHFFFAOYSA-N
-rxn:5:197876:226582:227660,Cc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C(=O)N(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,MDIGUNDKRGAYHA-UHFFFAOYSA-N
-rxn:5:197876:226589:227081,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(N3CCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,TXHNWKAJUBVHED-UHFFFAOYSA-N
-rxn:5:197876:226589:227920,CCC(=O)c1ccc(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,GYDRUANCEDTZJS-UHFFFAOYSA-N
-rxn:5:197876:226710:227088,Cc1cc(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)n1,JLZIVJMUXDVPNA-UHFFFAOYSA-N
-rxn:5:197876:226753:227816,CCCc1ccc(-c2cc3c(cc2-c2ccc(OC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,FKSQBTGTUBVDRY-UHFFFAOYSA-N
-rxn:5:197876:226761:227933,CCc1ccc(OC)cc1-c1cc2c(cc1-c1ccc(SC)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,UTXJAGMVCBCNQL-UHFFFAOYSA-N
-rxn:5:197876:226762:226835,CSc1cc(-c2cc3c(cc2-c2cc(C(F)(F)F)nn2C(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,OOFUEHSPWZYGJK-UHFFFAOYSA-N
-rxn:5:197876:226762:226912,CSc1cc(-c2cc3c(cc2-c2cc(C)cc(CC(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,KBYQZHZTJKMMHW-UHFFFAOYSA-N
-rxn:5:197876:226762:226917,CSc1cc(-c2cc3c(cc2-c2cc(C)cc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,HNRGHPLETFYYMV-UHFFFAOYSA-N
-rxn:5:197876:226762:227048,CSc1cc(-c2cc3c(cc2-c2ccc(C(=O)C(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,LCWWWLHMAOTDGM-UHFFFAOYSA-N
-rxn:5:197876:226762:227893,CSc1cc(-c2cc3c(cc2-c2cccc(CN(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,DKFNQWOJHISXQH-UHFFFAOYSA-N
-rxn:5:197876:226762:227933,CCc1ccc(OC)cc1-c1cc2c(cc1-c1cc(SC)cc(C(F)(F)F)c1)S(=O)(=O)N(C(C)(C)C)C2=O,UJODBSDJPKVZEV-UHFFFAOYSA-N
-rxn:5:197876:226767:227904,CCN(C)c1ccc(-c2cc3c(cc2-c2cc(OC)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,JDYNMXLZUCIXQM-UHFFFAOYSA-N
-rxn:5:197876:226768:227826,CSc1ccc(-c2cc3c(cc2-c2cccc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,ODZSUTVYPCOFGM-UHFFFAOYSA-N
-rxn:5:197876:226827:227906,CCC(C)c1ncccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)c(C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,NHQMPJSDYZXJAN-UHFFFAOYSA-N
-rxn:5:197876:226910:225395,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C4CC4)cc(C(C)(C)C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,CFDGVIPYMDKWJK-UHFFFAOYSA-N
-rxn:5:197876:226910:225499,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,UJACXBOUPYNRGN-UHFFFAOYSA-N
-rxn:5:197876:226912:225823,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cc(C(C)C)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,ZHIRYRMYTWUNHW-UHFFFAOYSA-N
-rxn:5:197876:226912:227047,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cccc(SC4CCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,GCWUVQCBMVJUNX-UHFFFAOYSA-N
-rxn:5:197876:226914:227048,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1ccc(C(=O)C(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,KXAYSLLDZPRUMR-UHFFFAOYSA-N
-rxn:5:197876:226917:227106,Cc1cc(-c2cc3c(cc2-c2cc(C4CC4)c(C)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,IKQIEWBNNREQAN-UHFFFAOYSA-N
-rxn:5:197876:226973:227293,CC(C)(C)Oc1cncc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,HAPGTFXBOZKPKA-UHFFFAOYSA-N
-rxn:5:197876:227018:225407,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,AMEFRXSRLUYWTB-UHFFFAOYSA-N
-rxn:5:197876:227045:225819,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cc(C(F)(F)F)ccc2C2CC2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SENXZLWTAFVBLI-UHFFFAOYSA-N
-rxn:5:197876:227052:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(SC(C)(C)C)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,QMJXLTBHUKXLAA-UHFFFAOYSA-N
-rxn:5:197876:227068:226973,CC(C)Cc1ccc(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,JGZCRIIIYNAXRI-UHFFFAOYSA-N
-rxn:5:197876:227076:227278,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MIRWEPVBNCNOAV-UHFFFAOYSA-N
-rxn:5:197876:227077:223202,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(C4(O)CCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,KGXVUPSMZINJHB-UHFFFAOYSA-N
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-rxn:5:197876:227079:227092,Cc1nc(C2CCC2)ccc1-c1cc2c(cc1-c1cc(CC(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LSADFAHVSILCCO-UHFFFAOYSA-N
-rxn:5:197876:227079:227107,Cc1cc(-c2cc3c(cc2-c2cc(CC(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c(C2CC2)c1,CLFGOLIGFAWACI-UHFFFAOYSA-N
-rxn:5:197876:227084:226826,Cc1cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c(C(F)(F)F)c1,GUUPVHXPGYMHLC-UHFFFAOYSA-N
-rxn:5:197876:227087:225602,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,HUGFCPGOHDUWGV-UHFFFAOYSA-N
-rxn:5:197876:227100:227075,COc1cc(-c2cc3c(cc2-c2c(C)cc(C4CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,IHNDTTZRHFBEOU-UHFFFAOYSA-N
-rxn:5:197876:227102:226211,CC(=O)N1CCc2cc(-c3cc4c(cc3-c3cc(C(C)(C)C)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,KVTJYSLVYAPQFR-UHFFFAOYSA-N
-rxn:5:197876:227102:226432,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,RPLFYPCHWADOAZ-UHFFFAOYSA-N
-rxn:5:197876:227106:227069,COc1ccc(-c2cc3c(cc2-c2cc(C4CC4)c(C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,SQNHTCGXJBUGAU-UHFFFAOYSA-N
-rxn:5:197876:227120:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cc2c(cc1-c1ccc(C3CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ITJWECGNKBFOTN-UHFFFAOYSA-N
-rxn:5:197876:227120:227525,CCc1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(C3CCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,JGIXJELXKGUNEF-UHFFFAOYSA-N
-rxn:5:197876:227124:225671,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,DVXQVYRAXJECPW-UHFFFAOYSA-N
-rxn:5:197876:227311:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2cnc(C(C)CC)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,JWNTUBXWFWGCKZ-UHFFFAOYSA-N
-rxn:5:197876:227408:227024,CC(c1cccc(-c2cc3c(cc2-c2cc(C4CCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1)N(C)C,UQYPDXZSXSNZDP-UHFFFAOYSA-N
-rxn:5:197876:227412:223267,CNC(=O)c1ccc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,QSSDIXPOGOKRRN-UHFFFAOYSA-N
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-rxn:4:176131:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)cc1C,FCNYJPRQWJKQNN-UHFFFAOYSA-N
-rxn:4:176131:224326,Cc1cc(-c2cc(SC(C)(C)C)cc(SC(C)(C)C)c2)ccc1S(=O)(=O)N1CCCCC1,ISPCDAWPZQMXOJ-UHFFFAOYSA-N
-rxn:4:176165:223569,Cc1ccc(F)c(-c2cc(C(=O)OC(C)(C)C)cc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3F)c2)c1,GDRIROSCVAEFNG-UHFFFAOYSA-N
-rxn:4:176168:222823,CC(C)[Si](c1c(F)cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2F)cc1F)(C(C)C)C(C)C,QSVZRMHFUDCFMY-UHFFFAOYSA-N
-rxn:4:176168:222905,CC(C)[Si](c1c(F)cc(-c2cccnc2NC(=O)OC(C)(C)C)cc1F)(C(C)C)C(C)C,YLRSHFNMNXOHQN-UHFFFAOYSA-N
-rxn:4:176168:223938,CC(C)[Si](c1c(F)cc(-c2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)cc1F)(C(C)C)C(C)C,JETSKLTZZPSCSQ-UHFFFAOYSA-N
-rxn:4:176168:225286,CC(C)[Si](c1c(F)cc(-c2cc(F)ncc2C(=O)OC(C)(C)C)cc1F)(C(C)C)C(C)C,DRJQMBWPIXSEJB-UHFFFAOYSA-N
-rxn:4:176293:222819,CC(C)(C)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc(NC(=O)N4CCOCC4)nc3)cc1)C2=O,DXXCJQDPLPRNCJ-UHFFFAOYSA-N
-rxn:4:176299:223480,Cc1cc(-c2ccc3oc(=O)c(-c4cc(=O)oc5cc(OC(=O)c6ccco6)ccc45)cc3c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,DRVKZGZOEYLWNM-UHFFFAOYSA-N
-rxn:4:176313:222822,Cc1cc(F)c(-c2ccc(COc3ccc4c(c3)OC(=CC3=Cc5ccccc5OC3C)C4=O)cc2)cc1S(=O)(=O)NC1CC1,OIQDDFACZRMFSP-UHFFFAOYSA-N
-rxn:4:176316:224272,CC(C)(C)OC(=O)n1c(-c2ccc(OCC(F)(F)F)c(C3C4CC5CC(C4)CC3C5)c2)cc2ccncc21,JWZDWCXJGTXVBM-UHFFFAOYSA-N
-rxn:4:176429:223814,Fc1cc(CN2CCC3(CC2)OCCO3)ccc1-c1ccc(C(F)(F)F)c(OC(F)F)c1,SVILOOWDVGZJOD-UHFFFAOYSA-N
-rxn:4:176470:223559,COc1cc(OC(F)F)cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,QEFKCBHTTPELRE-UHFFFAOYSA-N
-rxn:4:176935:223941,Cc1cccc(-c2ccc3c(c2)CC(=O)N3C(=O)OC(C)(C)C)c1OS(=O)(=O)C(F)(F)F,LEDOHFHCMWNGCN-UHFFFAOYSA-N
-rxn:4:177200:223695,CCOc1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc(F)c1C(C)=O,ITJFHWLMUYPUTL-UHFFFAOYSA-N
-rxn:4:177247:223482,CC(C)CSc1cccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)c1,BRIFTDURTLQTND-UHFFFAOYSA-N
-rxn:4:177978:223712,COC(=O)C1(C)OC1(C)c1cccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)c1,ONCGEGARISRCTQ-UHFFFAOYSA-N
-rxn:4:178152:222675,COc1cc(-c2cc(OC3CCOCC3)cc(C(F)(F)F)c2)ccc1NC(=O)OC(C)(C)C,XZKZDFOJIDVZPU-UHFFFAOYSA-N
-rxn:4:178211:223559,COC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1-c1ccc(C)cc1F,APXCMCYVLWPOOX-UHFFFAOYSA-N
-rxn:4:178306:223497,CC(c1ccc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,SKYKEAPFFOVIBF-UHFFFAOYSA-N
-rxn:4:178381:222788,CC(C)(C)OC(=O)Nc1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(F)c1,OCIHDDMDLMWKCL-UHFFFAOYSA-N
-rxn:4:178382:222909,CC(C)(C)OC(=O)Nc1cc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)ccn1,OFRWFDUGYQINMH-UHFFFAOYSA-N
-rxn:4:178382:224732,CC(C)(C)COS(=O)(=O)c1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)cc1,KOERXXGUZAIFNV-UHFFFAOYSA-N
-rxn:4:178384:224552,Fc1cc(COC2CCCCC2)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,XBGYDFBRLCFXGP-UHFFFAOYSA-N
-rxn:4:178384:228236,Fc1nccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1C1CC1,PLZKCZXJQKGFAJ-UHFFFAOYSA-N
-rxn:4:178384:228524,c1nc2c(cc1-c1c(C3CCCCC3)cc(C3CCCCC3)cc1C1CCCCC1)CCC2,UHRZIHLJVDCSEP-UHFFFAOYSA-N
-rxn:4:178384:228907,COc1nccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,RJBNJTJWIGXTJL-UHFFFAOYSA-N
-rxn:4:178384:228923,CSc1ccnc(F)c1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,BHUUGGJIHIEQEO-UHFFFAOYSA-N
-rxn:4:178482:223649,COC(=O)C1=Cc2cc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc(OC)c2OC1,WGXKHTGFVPMZCE-UHFFFAOYSA-N
-rxn:4:178496:223900,CCOC(=O)C1CCC(=O)c2cc(-c3ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c3)ccc21,AASOKWZBYOSDPG-UHFFFAOYSA-N
-rxn:4:178588:224768,CC(C)(C)[Si](C)(C)OC1CCc2cc(-c3cc(F)c(C(=O)N4CCCC4)c(F)c3)ccc2C1,VIGSGJGSANVCOG-UHFFFAOYSA-N
-rxn:4:178595:223697,O=C(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1C(F)(F)F,BWSUGLKDVHWCJT-UHFFFAOYSA-N
-rxn:4:178597:227061,Cc1ccc(OC(C)C)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,KHAVTTUTBCWOHW-UHFFFAOYSA-N
-rxn:4:178597:227494,CCC(C)c1nc(Cl)ncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,VYQORHXZJINLAB-UHFFFAOYSA-N
-rxn:4:179317:223490,CC(=O)c1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1C(F)(F)F,QWMYJGHFQVRXOW-UHFFFAOYSA-N
-rxn:4:179677:223542,COc1ccc(C2CC2)cc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCN(C)CC2)c1,XEGJMGANHJJQQK-UHFFFAOYSA-N
-rxn:4:179812:223559,COC(=O)c1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c(C)c1C,VCIJQJGEWYLHGE-UHFFFAOYSA-N
-rxn:4:180027:223811,COc1c(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)cc(F)cc1C1OCCO1,OADNPRNXUDWKNQ-UHFFFAOYSA-N
-rxn:4:180297:223899,COc1cc(-c2ccc(C(=O)N(C(C)C)C(C)C)cc2OC)c(C2(C)OCCO2)cc1Cl,PSBLOWAHBSGMFA-UHFFFAOYSA-N
-rxn:4:180372:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(C4CCOCC4)c(C(F)(F)F)c3)cc21,NFXFBEVUAXOYMO-UHFFFAOYSA-N
-rxn:4:180400:223835,Cc1cc(F)c(-c2ccc(C3CC3)c(C3CCCO3)c2)cc1S(=O)(=O)N1CCC(C)CC1,ITWJXKKSOOMIRD-UHFFFAOYSA-N
-rxn:4:180507:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cc(C3OCCO3)c([Si](C)(C)C)c(F)c2F)cc1,HLFXMYCXPXFELT-UHFFFAOYSA-N
-rxn:4:180664:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(S(=O)(=O)C(F)F)c4ccccc34)c2Cl)CC1,QFVBIHDGDHQNIK-UHFFFAOYSA-N
-rxn:4:180815:222776,COc1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1C12CC3CC(CC(C3)C1)C2,YVOGIHBATNALGK-UHFFFAOYSA-N
-rxn:4:181885:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ccccc2C2COCCO2)cc1,HEQSEEWYGBCWKA-UHFFFAOYSA-N
-rxn:4:182347:224329,CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)c2C1,SSZOAHVWBDKUKT-UHFFFAOYSA-N
-rxn:4:182376:225770,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4c(F)cc(OCC5CC5)cc4F)cc3C2=O)C[C@@H]1C,XLEOPKBQQGPTQP-KZQWQXQVSA-N
-rxn:4:183253:223846,Cc1cc(-c2cc(F)c3c(c2)CCC2(C3)OCCO2)cc(C2CC3CCC2(C)C3(C)C)c1,PDQQYIWOAFHQAH-UHFFFAOYSA-N
-rxn:4:183271:225179,Clc1cccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)c1CN1CCOCC1,NLYLBCICUQVWKS-UHFFFAOYSA-N
-rxn:4:183271:225210,Cc1nc(N2CCC(C)CC2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCO2,AWWRMPNHPCGCRD-UHFFFAOYSA-N
-rxn:4:183272:226923,Cc1cc(C2CC2)c(C)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,CUYCFTOHYFHEIW-UHFFFAOYSA-N
-rxn:4:183273:225605,Cc1cnc(OC2CCCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,DZNITBGCCYQXOP-UHFFFAOYSA-N
-rxn:4:183273:226416,Cc1onc(-c2ccccc2)c1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,MCJCCNMJXNHFBK-UHFFFAOYSA-N
-rxn:4:183273:228801,CSc1cc(F)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YVGJHNQCXVSRHB-UHFFFAOYSA-N
-rxn:4:183274:224568,COc1cccc(Oc2ccccc2-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,JDUBBQSGNSTCGK-UHFFFAOYSA-N
-rxn:4:183274:226143,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)cc(C)c1OC(C)C,MJJQHXFZIMZQBK-UHFFFAOYSA-N
-rxn:4:183274:226791,Cc1nc(-n2cccn2)ncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,GGGYFDIKFNBAQP-UHFFFAOYSA-N
-rxn:4:183274:227759,COc1c(F)cc(F)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1F,WSKHHGUUYVBFGP-UHFFFAOYSA-N
-rxn:4:183497:224065,CCOC(=O)Cc1c(C(F)F)ccc(-c2cc(C3CC3)cc(N3CCC(C)CC3)c2)c1C#N,UABIHCLRBOTMEC-UHFFFAOYSA-N
-rxn:4:183521:223769,CCOC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1-c1cc2cccc(C#N)c2n1C(=O)OC(C)(C)C,QOBXTYQQXUCZTK-UHFFFAOYSA-N
-rxn:4:183526:225289,CCOC(=O)Cc1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)ccc2OC(C)C)c1C#N,YIHCOEUETGYXMH-UHFFFAOYSA-N
-rxn:4:183577:224337,CCOC(=O)Cc1c(-c2cnc(C(F)(F)F)c(C3CCCCC3)c2)ccc(C#N)c1OC,MREFVKPVCSFHPS-UHFFFAOYSA-N
-rxn:4:183592:222806,CCCNC(=O)c1cc(-c2cccc([N+](=O)[O-])c2OC(C)C(=O)OCC)cc([N+](=O)[O-])c1,INBFFBUPXOVWHB-UHFFFAOYSA-N
-rxn:4:183594:224716,CCC(Oc1ccc([N+](=O)[O-])cc1-c1ccc(N(C)C(=O)OC(C)(C)C)nc1)C(=O)OC,JFWUOBKKRRARPZ-UHFFFAOYSA-N
-rxn:4:183610:225350,COC(=O)c1cc(C(F)(F)F)ccc1-c1cc(OC(F)(F)F)ccc1OCC(=O)N1CCC1,UNEGPVWINKDLKQ-UHFFFAOYSA-N
-rxn:4:183625:224162,COC(=O)C(C)(C)COc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc1C#N,JKUQAQVVSSOABA-UHFFFAOYSA-N
-rxn:4:183645:227516,CC(C)Oc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(F)F)c2)c(Cl)cn1,BCJVYWQBWCZBLH-UHFFFAOYSA-N
-rxn:4:183646:228356,CC(C)c1nc(Cl)ncc1-c1ccc(C(=O)ON2C(=O)CCC2=O)c(OCC(F)(F)F)c1,WZJXNDIAJSYKSU-UHFFFAOYSA-N
-rxn:4:183695:225759,CCN(C)C(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2OCC(=O)N2CCCC2)cc1F,WEAPMUVTPAKQCV-UHFFFAOYSA-N
-rxn:4:183788:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3c(Cl)cccc3CN(CC)C(=O)OC(C)(C)C)cc2)C1,NGGSRQNSFYHOLO-UHFFFAOYSA-N
-rxn:4:183794:224420,CCN(CC)C(C)(C(=O)OC)c1ccc(F)c(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1,HPPPMIOPUCKFEG-UHFFFAOYSA-N
-rxn:4:183802:223075,CN(Cc1cc(C(F)(F)F)ccc1-c1ccc(NS(=O)(=O)C2CC2)cc1)C(=O)OC(C)(C)C,RBVNMYAKQAIIFU-UHFFFAOYSA-N
-rxn:4:183871:223079,CC(C)NS(=O)(=O)c1cccc(-c2cccc(OCC3CN(C(=O)OC(C)(C)C)C3)c2)c1,YCPGYYYQZNXIDE-UHFFFAOYSA-N
-rxn:4:183897:224127,CCN1CCN(C(C)c2ccc(-c3ccc(C)c(CN(CC)C(=O)OC(C)(C)C)c3)cc2)CC1,WHZFGBSJCWDBKU-UHFFFAOYSA-N
-rxn:4:183900:222909,CC(C)N(Cc1ccc(F)cc1-c1ccnc(NC(=O)OC(C)(C)C)c1)C(=O)OC(C)(C)C,NGLXUBWOMGEQQC-UHFFFAOYSA-N
-rxn:4:183914:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1cc(OC(F)(F)F)ccc1OCCN1CCCC(C)C1,IOVBXRLBRGDTMV-UHFFFAOYSA-N
-rxn:4:183928:224484,CC(C)N(C(=O)c1ccccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CC2)cc1)C(C)C,IJMBZMJHFNLJPS-UHFFFAOYSA-N
-rxn:4:183970:222477,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)NCc4ccc(C)cc4)c3F)ccc2OC)CC1,IOFSEVDJPLXNFO-UHFFFAOYSA-N
-rxn:4:183975:224372,CC(C)(C)S(=O)N=Cc1cccc(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)c1OCc1ccccc1,KMNORFRHPVXNNV-UHFFFAOYSA-N
-rxn:4:183986:223190,CNS(=O)(=O)c1ccc(F)cc1-c1cc(C)c(F)c(CN(C(=O)OC(C)(C)C)C(C)C)c1,VXJWGHUEEOSSAO-UHFFFAOYSA-N
-rxn:4:183988:223971,COc1ccc(SCC2CCN(C(=O)c3ccc(-c4cc(N5CCC(C)CC5)cc(C(F)(F)F)c4)o3)CC2)cc1,INXVMLJNCAPPQB-UHFFFAOYSA-N
-rxn:4:183998:225193,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(C3COCCO3)c(C#N)c2)cc1F)C1CCCC1,YALNGLIFFCFLQL-UHFFFAOYSA-N
-rxn:4:183999:223955,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(SCc3ccccc3[N+](=O)[O-])cc2)c(F)c1)C1CCCC1,FRBIIRYQBUJNQA-UHFFFAOYSA-N
-rxn:4:184004:223055,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(N5CCNCC5)nc4C)cc3)SC2=S)cc1OC,YIXIOBIMWNXCKY-UHFFFAOYSA-N
-rxn:4:184012:223279,CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1-c1cnc(C2CCCN2)nc1,FZCGYOUGKBOKNR-UHFFFAOYSA-N
-rxn:4:184024:225059,CC1CCN(c2ccc(-c3cc(Cl)cc(OCC4CCCN(C(=O)OC(C)(C)C)C4)c3)c(Cl)c2)CC1,NMWWKVNPIRUFFD-UHFFFAOYSA-N
-rxn:4:184034:226022,CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3c(OC)cccc3OC(F)(F)F)c(C)cc2OC)CC1,QIARIHGDOUFYDX-UHFFFAOYSA-N
-rxn:4:184070:223630,COC(=O)C1(c2ccc(-c3ccccc3COc3ccc(Cl)c4ccccc34)cc2C)CCN(C(=O)OC(C)(C)C)C1,BGETWXCWNCMLIF-UHFFFAOYSA-N
-rxn:4:184095:227758,CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2cc(F)ccc2C(F)(F)F)cc1,DQBHTEJKJHXGJZ-LJQANCHMSA-N
-rxn:4:184096:223287,CNS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1,DYTYQZBSBZWNLI-UHFFFAOYSA-N
-rxn:4:184096:225573,COC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc(C2CC2)c1,WKZCULXPLMITLD-UHFFFAOYSA-N
-rxn:4:184096:227342,COC(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCC(C)(C)CC3)cc2)cc1C,MWRNTQIMLVBJGI-UHFFFAOYSA-N
-rxn:4:184097:222890,COc1cc(-c2ccc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)cc2)cc(C2CCCNC2)n1,KFIJBNHBLBLEFN-UHFFFAOYSA-N
-rxn:4:184099:224418,CC(c1ccc(-c2cccc3c2-c2ccccc2C3(C)C)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,KRFBVVKIDQDXFD-UHFFFAOYSA-N
-rxn:4:184134:222602,CCOC(=O)c1c(-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)c2ccccc2n1C(=O)OC(C)(C)C,MEOMIGJDKWSQTB-UHFFFAOYSA-N
-rxn:4:184167:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4cc(CN(C(=O)OC(C)(C)C)C5CC5)ccc4c3)c(F)ccc21,QAZAEEHPWBSDSJ-UHFFFAOYSA-N
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-rxn:4:184192:225328,CCCSc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)CN(Cc1ccc(OCC)c(OCC)c1)C(=O)CO2,NOKPWCDTUBONBC-UHFFFAOYSA-N
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-rxn:4:187636:222522,COc1ccc(-c2ccccc2Oc2ccc(C(=O)N3CCCCC3C)cc2)cc1S(=O)(=O)N1CCC(O)CC1,ZHPGIHGTHSWXOV-UHFFFAOYSA-N
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-rxn:4:187692:224690,O=C1CCN(Cc2ccc(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)cc3F)c(F)c2)CC1,XWTMOHCTLSAUOD-UHFFFAOYSA-N
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-rxn:4:187847:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc4c(cc3C(F)F)N(C(=O)OC(C)(C)C)CC4)c2Cl)CC1,CWYZUCSEJWNBIL-UHFFFAOYSA-N
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-rxn:4:189626:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(OCC2CCOCC2)cn1,QRHUKHSSVDXQJX-UHFFFAOYSA-N
-rxn:4:189688:223892,CN1CCN(CCCOc2ccc(-c3cc(F)ccc3/C=N/S(=O)C(C)(C)C)cc2)CC1,QEGGXFOBLYRGOR-ZXVVBBHZSA-N
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-rxn:4:189824:223562,COC(=O)c1nc(C2CCCC2)ccc1-c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,UGCNTFRARLSVLS-UHFFFAOYSA-N
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-rxn:4:189915:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cc(CCN2CCOCC2)ccc1F,OTHNPOPYMQELKI-UHFFFAOYSA-N
-rxn:4:189949:222724,O=[N+]([O-])c1c(F)cc(-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)cc1OC1CCCCC1,MOOPCQARNRGPFR-UHFFFAOYSA-N
-rxn:4:189985:223562,CC(=NS(=O)C(C)(C)C)c1cccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,AMQXUKGGXDKLNC-UHFFFAOYSA-N
-rxn:4:190004:223900,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2cc(F)ccc2CC(=O)N2CCCCC2)cc1F,CHHPCZBXPAPBST-UHFFFAOYSA-N
-rxn:4:190017:223652,COc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cc2c(Cl)ccc(OC)c2n1C(=O)OC(C)(C)C,OYLNEPRPKKBYDQ-UHFFFAOYSA-N
-rxn:4:190055:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(F)cc3CC(=O)N3CCC(F)(F)CC3)c(F)ncc21,JDKIOWXZKLHQDS-UHFFFAOYSA-N
-rxn:4:190058:225364,Cc1cc(F)c(-c2cc(F)ccc2CC(=O)N2CCC(F)(F)CC2)cc1S(=O)(=O)N(C)C,SDDABHBUVNZFJC-UHFFFAOYSA-N
-rxn:4:190071:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc(Cl)c(C(=O)N2CCC(C(F)(F)F)CC2)c1,OJHQSMOFKIJESF-UHFFFAOYSA-N
-rxn:4:190111:222624,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1,WAZVTSGRSPQTGT-UHFFFAOYSA-N
-rxn:4:190137:224804,CC(C)Oc1ccc(-c2ccc(CCN3CCC(F)(F)CC3)cc2F)cc1OC(F)(F)F,ACOKELUZKHWJEN-UHFFFAOYSA-N
-rxn:4:190180:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(F)(F)CC3)c2)c(F)c1,XMNWTPPOLKVRHA-UHFFFAOYSA-N
-rxn:4:190216:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1,NETOALCRAIYCOT-UHFFFAOYSA-N
-rxn:4:190217:222814,CCC(=O)C1CCCN(c2ccccc2-c2ccnc(NC(=O)OC(C)(C)C)c2F)C1=O,UGRMRNFRXPRLIR-UHFFFAOYSA-N
-rxn:4:190276:224810,CN(C(=O)c1ccc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)cc1)C1(C)CCS(=O)(=O)C1,SACOBCXSDMZSJL-UHFFFAOYSA-N
-rxn:4:190296:222632,COc1ccccc1C=C1SC(=S)N(c2cccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)C1=O,VQWSBLLHDOBFJE-UHFFFAOYSA-N
-rxn:4:190296:224302,COc1ccccc1C=C1SC(=S)N(c2cccc(-c3ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c3F)c2)C1=O,UBZVSRRRMDSBOY-UHFFFAOYSA-N
-rxn:4:190332:224398,Cc1cc(F)c(-c2ccc(C(C)(C)C(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCC1,HXXRVPKAKDLDHR-UHFFFAOYSA-N
-rxn:4:190366:223911,CCOC(=O)C1(c2ccc(-c3ccc(C4CCCN4CC4CCC4)cc3)cc2)CCOCC1,KCYMXRXWNZFINJ-UHFFFAOYSA-N
-rxn:4:190381:222920,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3ccc(S(=O)(=O)NC4CC4)cc3C)c2)C1,MWPHIOFZAFBIKW-UHFFFAOYSA-N
-rxn:4:190381:224007,COC1CCCN(S(=O)(=O)c2cc(C)cc(-c3cc(OC(F)(F)F)cc(OCC(C)C)c3F)c2)C1,SCASSTGZLKWUNU-UHFFFAOYSA-N
-rxn:4:190391:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2OC)c1,FZIUDEWEBPJKAV-UHFFFAOYSA-N
-rxn:4:190396:225091,CCCCOc1c(OC)ccc(-c2cccc(N3CCCC(C(=O)C(C)C)C3=O)c2F)c1F,KMWLLRFXXYCZST-UHFFFAOYSA-N
-rxn:4:190428:222540,CC(C)(C)c1cc(CN2CCC(F)(F)C2)cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1,DEJPESAPPHAUKO-UHFFFAOYSA-N
-rxn:4:190429:223637,CC1CCN(C(=S)c2ccc(-c3ccc(-c4ccccc4C4CCCN(C(=O)OC(C)(C)C)C4)cc3)o2)CC1,FZCQRYVGWOQZMM-UHFFFAOYSA-N
-rxn:4:190437:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3-c3cccc(C(=O)N4CCC(F)(F)CC4)c3)cc2)CC1,XBWYFPQEYPGJAF-UHFFFAOYSA-N
-rxn:4:190474:224572,Cc1cc(C)c(S(=O)(=O)N(C)C2CCCCC2)cc1-c1ccc(N2CCCC(C)C2)cc1C#N,YGVUUZHGURGCFM-UHFFFAOYSA-N
-rxn:4:190475:223892,CN1CCN(CCCOc2ccc(-c3ccc(C4CCCN4C(=O)C4CCCCC4)cc3)cc2)CC1,IKEWELRSHKWJRN-UHFFFAOYSA-N
-rxn:4:190486:222740,CC(C)c1cc(-c2ccc(C3CCCN3CC3CCCCC3)cc2)cc(C2CCCNC2)n1,NDDIKQVAJDMMNV-UHFFFAOYSA-N
-rxn:4:190496:223591,CC1CCN(Cc2cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)cc(C(C)(C)C)c2)CC1,OPDLUXLIXNEMKI-UHFFFAOYSA-N
-rxn:4:190823:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3=O)c(F)c1,ZUILTXNJYGKMIJ-UHFFFAOYSA-N
-rxn:4:190851:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)c(F)ccc21,HJYHOOJDERAQCP-UHFFFAOYSA-N
-rxn:4:190861:222829,CNS(=O)(=O)c1ccc(-c2cc3c(cc2F)N(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c1,UHTLOIDXQJXQOZ-UHFFFAOYSA-N
-rxn:4:190869:224716,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)C(=O)CO3)cn1,ZLJZWJZSESOIHK-UHFFFAOYSA-N
-rxn:4:190870:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCC(=O)N3C(=O)OC(C)(C)C)cc1F,PFCZCTYWJMRERK-UHFFFAOYSA-N
-rxn:4:190947:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2cccc(N3C=C(C(=O)OC)S(=O)(=O)c4cc(F)ccc43)c2)cc1C,VKOUJMYWIBDWLT-UHFFFAOYSA-N
-rxn:4:190948:223766,COC(=O)C1=CN(c2ccc(F)c(F)c2)c2cc(-c3cc4cc(C#N)ccc4n3C(=O)OC(C)(C)C)ccc2S1(=O)=O,YZRUHTUDECIWMZ-UHFFFAOYSA-N
-rxn:4:190975:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)C(F)(F)CCN3C(=O)OC(C)(C)C)c1,BXJHAPRYZGDWFZ-UHFFFAOYSA-N
-rxn:4:190983:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1,BJAMEAXARQALFQ-UHFFFAOYSA-N
-rxn:4:191008:222974,CC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C(=O)OC(C)(C)C)C3(C)C)cc1,FZZCKVKNSFGBQC-UHFFFAOYSA-N
-rxn:4:191030:222941,CONS(=O)(=O)c1c(C)cc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1C,ZOADLBCVZNGUQL-UHFFFAOYSA-N
-rxn:4:191041:224570,CC(c1ccc(-c2cccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)cc1)N1CCN(C)CC1,IMFLAHBGPFKJEA-UHFFFAOYSA-N
-rxn:4:191047:223761,COc1ccc(N2Cc3cc(-c4ccc(C5CCCN5C(=O)OC(C)(C)C)cc4)ccc3OCC2=O)c(OC)c1,UJONOKFUNWWVNR-UHFFFAOYSA-N
-rxn:4:191057:223882,Cc1cccc2c1cc(-c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC31CC1)n2C(=O)OC(C)(C)C,RYKTXNQDJNUXJR-UHFFFAOYSA-N
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-rxn:4:202348:224182,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2ccc(OCCN4CCOCC4)c(C)c2)CC3)cc1,DRJGHOXEYVHMCC-UHFFFAOYSA-N
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-rxn:4:202466:223696,CCCC(=O)N=c1sc2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)ccc2n1CC,XEEKZURRAZQKJA-UHFFFAOYSA-N
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-rxn:4:202519:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc4c(cc3[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)C4)c(F)c2)CC1,IHUFBZTZDGWXJU-MXVIHJGJSA-N
-rxn:4:202521:224278,CC(C)(C)OC(=O)N1CCc2c(-c3cnc4c(ccn4C(=O)OC(C)(C)C)c3)ccc([N+](=O)[O-])c2C1,ZNJFPADGGWYEKS-UHFFFAOYSA-N
-rxn:4:202554:222856,COC(=O)CN1C(=O)CN=C(c2ccccc2Cl)c2cc(-c3cc(C4CCNCC4)ccc3OC)ccc21,KWLSPLYLPBIDAK-UHFFFAOYSA-N
-rxn:4:202567:222791,CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc1,ARGKCLZEOVMHGP-UHFFFAOYSA-N
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-rxn:4:202592:223935,CC(C)(C)OC(=O)n1c(-c2c(CO[Si](C)(C)C(C)(C)C)nn3c2CCC3)cc2cccc(F)c21,DNEVWNLYUQKYOP-UHFFFAOYSA-N
-rxn:4:202618:224663,CN1CCN(Cc2ccc(-c3ccc4oc(=O)c(C(=O)N5CCSC5c5ccc([N+](=O)[O-])cc5)cc4c3)cc2F)CC1,IRNAFZFCPHVEDF-UHFFFAOYSA-N
-rxn:4:202648:225572,COC(=O)c1ccc(C2CC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1,ZAYFYAQIJHYDPY-UHFFFAOYSA-N
-rxn:4:202655:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,DQDXXFMVAVWHIY-UHFFFAOYSA-N
-rxn:4:202662:223167,CC1=C(C(=O)OC(C)C)C(c2cccc(-c3ccnc(N4CCNCC4)c3)c2)N2C(=O)C(C)SC2=N1,NIHTUWWWCCJTJL-UHFFFAOYSA-N
-rxn:4:202675:223696,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c2cccnc21,HPEOFIWSWGYXRV-UHFFFAOYSA-N
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-rxn:4:202680:223567,CC(C)Oc1ccc2c(c1)cc(-c1cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c1Cl)n2C(=O)OC(C)(C)C,QLRWDPFCIYCJMA-UHFFFAOYSA-N
-rxn:4:202681:222545,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(C(C)(C)NC(=O)OC(C)(C)C)cc3)cnc21,IEUJCUQIGYSVMR-UHFFFAOYSA-N
-rxn:4:202686:224261,CCOC(=O)N1CCC(N2Cc3cc(-c4ccc(-c5cccc(C(F)(F)F)c5)cc4)ccc3OCC2=O)CC1,FKJSEVOWTSRUIK-UHFFFAOYSA-N
-rxn:4:202689:226229,COCCCOc1cccc(-c2ccc3c(c2)CN(C2CCC(=O)N(C(=O)OC(C)(C)C)C2=O)C3=O)c1,FHZFNGAIXHYSPU-UHFFFAOYSA-N
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-rxn:4:202696:225386,COc1cccc(N2C(=NC(=O)c3ccc(-c4cc(F)c(C(F)(F)F)cc4[N+](=O)[O-])cc3)SC3CS(=O)(=O)CC32)c1,WMJJXFHSLPWUBZ-UHFFFAOYSA-N
-rxn:4:202736:225114,CCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3csc(CO[Si](C)(C)C(C)(C)C)c3)ccc21,OSZMYERNKBRFPL-UHFFFAOYSA-N
-rxn:4:202749:224683,CC1CCN(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2)CC1,OHHKQZXWAHTWQX-UHFFFAOYSA-N
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-rxn:4:202767:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cccc3c4c([nH]c23)CCN(C(=O)COc2ccc(Cl)cc2)C4)CC1,GDFBVGVVCWPILA-UHFFFAOYSA-N
-rxn:4:202807:222638,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2cccc(C(C)NC(=O)OC(C)(C)C)c2)cc1,KZADMUKSMUHJFE-UHFFFAOYSA-N
-rxn:4:203104:223608,CC(C)Oc1ncc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1[N+](=O)[O-],KBPPZJQXXDAAHT-UHFFFAOYSA-N
-rxn:4:203638:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)NN2CCOCC2)cc1,OKLMHBVCYVMUJZ-UHFFFAOYSA-N
-rxn:4:203675:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)N4CCCCC4)cc([N+](=O)[O-])c3)cc2)CC1,STODGDNGNFWLRU-MEMLXQNLSA-N
-rxn:4:203708:223520,CC(c1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,ZJIYMVRVMZZMFF-UHFFFAOYSA-N
-rxn:4:203756:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2cncc(S(=O)(=O)N3CCCC(C(F)(F)F)C3)c2)c1,HJTHCFOXNLTJPG-UHFFFAOYSA-N
-rxn:4:203825:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N4CCN(S(C)(=O)=O)CC4)cc3)c(F)ccc21,UAJVOLTWEXZWJU-UHFFFAOYSA-N
-rxn:4:203893:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(CC2CCCN(S(C)(=O)=O)C2)c1,LXUSHIHGQCEXBD-UHFFFAOYSA-N
-rxn:4:203985:224991,O=C(c1ccccc1-c1cc(C2CC2)nc(N2CCCC2)c1)N1CCC(N2C(=O)COC2=O)CC1,RRCZGVRMCVTYLL-UHFFFAOYSA-N
-rxn:4:204011:222792,CN(C)C1CCN(S(=O)(=O)c2ccc(-c3cc(NC(=O)OC(C)(C)C)ccc3F)cc2)CC1,SIIMGBMYHOJVDX-UHFFFAOYSA-N
-rxn:4:204019:225358,COC(=O)c1cc(-c2ccccc2CN2CCN(S(C)(=O)=O)C(C)C2)cc(C(F)(F)F)c1,JWQVLHWDDKAIPW-UHFFFAOYSA-N
-rxn:4:204025:224325,CN1CCN(Cc2ccc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2S(C)(=O)=O)CC1,DRHFYLDQOVAJNF-UHFFFAOYSA-N
-rxn:4:204028:224718,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1cccc(-c2ccc(OCCN3CCOCC3)nc2)c1,AWPFIWPDDOUOLJ-FQEVSTJZSA-N
-rxn:4:204030:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(N4CCN(S(=O)(=O)C(C)C)CC4)c3)cc21,FQWPZCGVZPLXAA-UHFFFAOYSA-N
-rxn:4:204054:222658,O=C(NC1CCCCC1)c1cc(F)cc(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)c1,GHEDLUWEKNUGSS-UHFFFAOYSA-N
-rxn:4:204054:225890,C[Si](C)(C)CCOCn1cc(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)cn1,PTUALGOZXNZMCN-UHFFFAOYSA-N
-rxn:4:204070:225318,Cc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1-c1c(F)cc(N2CCOCC2)cc1F,DSDATUVTZHWKCY-UHFFFAOYSA-N
-rxn:4:204109:223868,COCc1cc(OCc2ccccc2)ccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,WPWXZRFDKBSATK-UHFFFAOYSA-N
-rxn:4:204111:223733,CC(C)(C)c1ccc(COc2cccc(-c3ccc(-c4ccc(C=C5SC(=S)N(N6CCOCC6)C5=O)o4)cc3)c2)cc1,GDBUHQDTUGZZEZ-UHFFFAOYSA-N
-rxn:4:204114:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C(=O)N2CCCN(C3CCSCC3)CC2)o1,HENBOSFCCGIIHO-UHFFFAOYSA-N
-rxn:4:204114:225754,COC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C4CCSCC4)CC3)o2)c(C2CC2)cn1,VQAWGHWTIQLQID-UHFFFAOYSA-N
-rxn:4:204164:226526,COC(=O)c1ccc(OC)c(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)c1,VUUQDFLEGPYBRH-UHFFFAOYSA-N
-rxn:4:204175:222645,O=C(c1ccccc1)N1C(=S)C(c2ccc(-c3cccc(OCCN4CCC(O)CC4)c3)cc2)=NC12CCCCCC2,ANXJQGPJQJHIRQ-UHFFFAOYSA-N
-rxn:4:204177:224365,CCCCOc1cc(-c2ccc(C3=NC4(CCCCCC4)N(C(=O)c4ccc(F)cc4)C3=S)cc2)cc(C(F)(F)F)c1F,XCOOTLWPOAPJDL-UHFFFAOYSA-N
-rxn:4:204186:225159,Cc1cccc(N2CCN(S(=O)(=O)c3c(C)cc(C)c(-c4cccc(C(=O)N5CCOCC5)c4)c3C)CC2)c1C,NJQUAKBRBJQFOU-UHFFFAOYSA-N
-rxn:4:204290:223490,CCOC(=O)c1[nH]c2c(Cl)ccnc2c1-c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,DDLLFKMRHKZMCL-UHFFFAOYSA-N
-rxn:4:204614:223573,CN(Cc1ccc2c(c1)OCCO2)c1ccncc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,PJWHCWWLJGPYPT-UHFFFAOYSA-N
-rxn:4:204643:224679,CSC1CC2CCC(C1)N2C(=O)c1cncc(-c2cc(Cl)cc(C(=O)N3CCCCC3)c2)c1,ICYPMPKQVFESFH-UHFFFAOYSA-N
-rxn:4:204648:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(=O)N3CC(N4CCc5sccc5C4)C3)o2)CC1,WDCAYLZVWHMVHA-UHFFFAOYSA-N
-rxn:4:204652:225282,CCC(C)c1ncc(-c2ccc3[nH]c(C(=O)N4CCC(C(F)(F)F)CC4)cc3c2)cc1C(F)(F)F,IGSNDZRANQBPKZ-UHFFFAOYSA-N
-rxn:4:204723:224792,CC(C)CSc1ncc(C(F)(F)F)cc1-c1ccc(N2C(=NC(=O)C(C)C)SC3CS(=O)(=O)CC32)cc1,VHSVBCJPMZYNGU-UHFFFAOYSA-N
-rxn:4:204738:222880,CCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3cc(Cl)ccc3NC(=O)C(C)(C)C)ccc21,PFDFTAIXLNNNQZ-UHFFFAOYSA-N
-rxn:4:204785:223274,CCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(C(=O)NC)cc3Cl)ccc21,QPPKRUPRWPPRGO-UHFFFAOYSA-N
-rxn:4:204798:225305,O=C(C1=CN(c2cccc(-c3cnc(C4CCC4)c(C(F)(F)F)c3)c2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,MSDHYEQPQGOJIT-UHFFFAOYSA-N
-rxn:4:204806:224596,COc1cc(N2CCCCC2C)ccc1-c1cccc(N2C(=NC(=O)c3cccc(C)c3)SC3CS(=O)(=O)CC32)c1,MCMUNLCFUXQDRO-UHFFFAOYSA-N
-rxn:4:204835:224395,O=C(C1=CN(c2ccc(-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1,RUKMLNCALFTXKA-UHFFFAOYSA-N
-rxn:4:204843:227235,CCOc1ccc(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(F)cc43)cc2C)cc1C#N,FSWWTLOIMKMBCF-UHFFFAOYSA-N
-rxn:4:204860:222633,COc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,GCJIZEIJSWREDB-UHFFFAOYSA-N
-rxn:4:204860:228404,COc1ccc(-c2ccc(F)c(OC)c2Cl)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,NEPVLSIRCOFQEJ-UHFFFAOYSA-N
-rxn:4:204864:222898,COC(=O)CNC(=O)c1ccc(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccccc43)cc2C)cc1,GVWYRXYQZLWSJG-UHFFFAOYSA-N
-rxn:4:204877:222547,Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)ccc1-c1cccc(C(=O)Nc2ccc(C#N)cc2)c1,FBDOMPWMGANVAQ-UHFFFAOYSA-N
-rxn:4:204877:223152,Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(NC(=O)N(C)C)cc1,FBKYDFRBQMITAE-UHFFFAOYSA-N
-rxn:4:204884:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2nc3c(s2)C2CCC(C3)N2C(=O)OC(C)(C)C)cc1,MLHJGYDRTHCCBT-UHFFFAOYSA-N
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-rxn:4:205354:223493,COc1nc(C)c(C#N)cc1-c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C,NBMNYVMBTWZYOA-UHFFFAOYSA-N
-rxn:4:205931:223638,C=C1CC(C#N)(c2ccc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)C1,MDOMTZUZZAPYGI-UHFFFAOYSA-N
-rxn:4:206387:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cncc(C(=O)N4CCOCC4)c3)cn2)CC1,XDYPNIXDOOUZMZ-UHFFFAOYSA-N
-rxn:4:206432:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cncc(S(=O)(=O)N4CCCC4)c3Cl)cc2)CC1,WFXKUBFGOZEQRS-UHFFFAOYSA-N
-rxn:4:206472:223814,Fc1cc(CN2CCC3(CC2)OCCO3)ccc1-c1cnc(N2CCC(F)(F)C2)cc1C(F)(F)F,QZHOFTWBXVTOMM-UHFFFAOYSA-N
-rxn:4:206502:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(F)c(CN3CCOCC3)c2)CC1,RYPPRCQPPOXENU-UHFFFAOYSA-N
-rxn:4:206532:224193,CCN1CCN(Cc2cc(-c3cc(N4CCOCC4)c([N+](=O)[O-])cc3F)ccc2F)CC1,VVZWSBGRGWGJBA-UHFFFAOYSA-N
-rxn:4:206694:222604,COc1ccc(-c2cccc(C3CCCN3S(C)(=O)=O)n2)cc1S(=O)(=O)NC1CCCC1,VGICCJIEUYAOMV-UHFFFAOYSA-N
-rxn:4:206797:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2CN(S(C)(=O)=O)CCO2)nc1,DUXXGQVGVKLOTB-UHFFFAOYSA-N
-rxn:4:206814:224849,O=C1CC(=O)N(C2CC2)C(=O)N1c1ccc(-c2cc(C3CCCC3)cc(C3CC3)c2)cc1,PDBXDHSNGACFNP-UHFFFAOYSA-N
-rxn:4:206862:224318,CN1CCN(C(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4CCN(C)CC4)c3)cc2F)CC1,CWEFYFWNYKCVQI-UHFFFAOYSA-N
-rxn:4:206912:223529,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cnc1N(C)C1CCCC1,ODQHAPHNAPPCRN-UHFFFAOYSA-N
-rxn:4:206917:222522,COc1ccc(-c2ccc(CN3CCN(C)CC3)cc2Cl)cc1S(=O)(=O)N1CCC(O)CC1,XMGCSPIMCVBJAQ-UHFFFAOYSA-N
-rxn:4:206941:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(N2N=C(C(C)(C)C)CC2=O)cc1,MXTXCZUSGOZRRI-UHFFFAOYSA-N
-rxn:4:206961:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(S(=O)(=O)N2CCCC(C)C2)c1,XAVGPYRUSQNILD-UHFFFAOYSA-N
-rxn:4:207081:225889,CC1(C)OCC2(CO1)CN(C(=O)c1cncc(-c3ccnn3COCC[Si](C)(C)C)c1)C2,CBMQKGUYFDHYJX-UHFFFAOYSA-N
-rxn:4:207442:223841,Cc1cc(F)c(-c2ccc(N3CC4CC4C3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCN(C)CC1,RUGAGSLNWGHTKN-UHFFFAOYSA-N
-rxn:4:207829:225177,O=C1N(c2ccc(F)cc2)C2CS(=O)(=O)CC2N1c1ccc(-c2ccc(CN3CCSCC3)c(F)c2)cc1,AGMGBOYUIJYAIY-UHFFFAOYSA-N
-rxn:4:207856:224616,CC(C)N1CCN(C2CCCc3cc(-c4ccccc4OCCN4CCOCC4)ccc32)CC1,SGKABJQRHYPNMR-UHFFFAOYSA-N
-rxn:4:207909:223530,Cc1cc(N2C(=O)c3oc4ccc(-c5cc(F)ccc5CN5CCN(C(=O)OC(C)(C)C)CC5)cc4c(=O)c3C2c2ccccc2F)no1,AFGXRVXELYVSGP-UHFFFAOYSA-N
-rxn:4:209695:223669,CC1(C)COC(c2cncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c2)=N1,RVAGCFRYDMWRNY-UHFFFAOYSA-N
-rxn:4:211061:226682,CN1C(=O)C(=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2cc(-c3cnc(-n4cccc4)c(Cl)c3)ccc21,UTXBMCDOWQMTMW-UHFFFAOYSA-N
-rxn:4:211101:222389,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc2OC32CCC(C)CC2)cc1,KNAIUCFNUXGMPU-UHFFFAOYSA-N
-rxn:4:211101:225683,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CCCOC5)nc4C)ccc2OC32CCC(C)CC2)cc1,ABRZTLUPTOKZEW-UHFFFAOYSA-N
-rxn:4:212542:224718,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,JQDPGWDFJKJRIO-UHFFFAOYSA-N
-rxn:4:212547:224318,CCOCCN1CCC(Oc2ncc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)cn2)CC1,YDWNXPOTHQLMRX-UHFFFAOYSA-N
-rxn:4:212557:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(CSC4=NCCN4C(=O)c4ccccc4[N+](=O)[O-])cc3)cn2)CC1,GSSVZJCNJMJUHJ-UHFFFAOYSA-N
-rxn:4:212584:224256,CC(C)N(Cc1nn(C)cc1-c1ccc(Cl)c(C(=O)N2CCCCC2C)c1)C(=O)OC(C)(C)C,WYRGOOMJSVYODV-UHFFFAOYSA-N
-rxn:4:212592:226020,CN(C)C(=O)C1(CCCc2cccc(-c3ccc(OC(F)(F)C(F)F)cc3)n2)CCN1C,IQTVIXBFWPKGTE-UHFFFAOYSA-N
-rxn:4:212604:223917,Cc1ccc(C(=O)N2CCN=C2SCc2ccc(-c3cc(F)cc(C(=O)N(C)C4CCCCC4)c3)cc2)cc1[N+](=O)[O-],PJVWTYYHHVZVBG-UHFFFAOYSA-N
-rxn:4:212606:223009,CC(C)CC(=O)N1CCCC(COc2ncc(-c3cc(Cl)cc(C4CCNCC4)c3)cn2)C1,ARJARNMFRZCCGA-UHFFFAOYSA-N
-rxn:4:212607:224196,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cc(F)cc(CN4CCN(CC)CC4)c3)cn2)CC1,MAJOQKUXOJFGLD-UHFFFAOYSA-N
-rxn:4:212607:224459,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)cn2)CC1,HIOLDYKEWATQNW-UHFFFAOYSA-N
-rxn:4:212609:222514,COc1ccc(-c2nccn2CC2CCN(C(=O)OCc3ccccc3)CC2)cc1S(=O)(=O)NC1CCCCC1,GNCNRSFUABBMRH-UHFFFAOYSA-N
-rxn:4:212611:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3cnc(OC4CCN(CCOc5ccccc5)CC4)nc3)cc2)CC1,HMIMKHZICQLQJR-UHFFFAOYSA-N
-rxn:4:212620:222813,CC(C)(C)OC(=O)Nc1ncc(-c2cc(F)ccc2CC(=O)N2CCC(COc3ncccn3)CC2)cc1Cl,UGPBOAFVCKDVDZ-UHFFFAOYSA-N
-rxn:4:212630:222432,O=C(c1cncc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)c1)N1CCCC(COc2ncccc2C(F)(F)F)C1,WWFQLKUJXGWCON-UHFFFAOYSA-N
-rxn:4:212630:224589,CC1CCN(Cc2cc(F)ccc2-c2cncc(C(=O)N3CCCC(COc4ncccc4C(F)(F)F)C3)c2)CC1,PSMAIORARNPHOL-UHFFFAOYSA-N
-rxn:4:212639:224779,CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cncc(-c3ccc(-c4ccccc4C(F)(F)F)s3)c2)CC1,KCEFEVXJLMNOHA-UHFFFAOYSA-N
-rxn:4:212647:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(CCC3CCCCN3C(=O)OC(C)(C)C)cn2)CC1,LSJAQATXMAVMOF-UHFFFAOYSA-N
-rxn:4:212649:224595,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCCC(C)C4)cc3OC)cn2)C1,HONZNKBFKUNOGK-UHFFFAOYSA-N
-rxn:4:212656:225761,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(CC(C)C)cc2[N+](=O)[O-])c1,BHNCDWXKSWKRDS-UHFFFAOYSA-N
-rxn:4:212663:224487,COC(=O)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(OCCN2CCCCC2)c1,XVFJMYFPYIMDBR-UHFFFAOYSA-N
-rxn:4:212667:225157,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(C(=O)N5CCSCC5)c4)cn3)C2)cc1,QNSCQZDREVJVRJ-UHFFFAOYSA-N
-rxn:4:212667:225394,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCC5)cc(C5CC5)c4)cn3)C2)cc1,TVSWDCAFOVZDJM-UHFFFAOYSA-N
-rxn:4:212669:224627,COc1cnc(OC2CCN(C(=O)c3cc(OC)ccc3-c3ccc(C(=O)N4CC(N(C)C)C4)cc3)CC2)nc1,JDMGGQBMGVSTGB-UHFFFAOYSA-N
-rxn:4:212709:223032,CCCNC(=O)c1ccc(-c2c(CN3CCC(=Cc4ccccc4)CC3)nn(C)c2C(=O)OCC)c(F)c1,FDZSBFWOGOXQBZ-UHFFFAOYSA-N
-rxn:4:212721:226659,CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(N4CCCC4)c(Cl)c3)n2)CC1,ZFEDPJNXKXFUTI-UHFFFAOYSA-N
-rxn:4:212749:225951,Cc1nc(-n2ccnc2C)ncc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(N2CCCCC2)c1,DHFLIFWJODOZPM-UHFFFAOYSA-N
-rxn:4:212783:224968,CCOC(=O)N1CCN(C(=O)Cn2ccc3ccc(-c4cc(C)ccc4OCC4CCCO4)cc32)CC1,SZNBGQFWKTYXGQ-UHFFFAOYSA-N
-rxn:4:212824:225102,CCN(CC)C(=O)c1cc(-c2ccc3nc(N4CCN(C(=O)c5cc(OC)c(OC)c(OC)c5)CC4)sc3c2)ccc1F,KYNUBINUVDISIB-UHFFFAOYSA-N
-rxn:4:212887:222633,COC(=O)CN1CCC(Cn2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cn2)C1,AHNOEEFBGNASDY-UHFFFAOYSA-N
-rxn:4:212973:225094,CCCOc1cc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)cc(Cl)c1OCC,VUPMWRWAHUCVCB-UHFFFAOYSA-N
-rxn:4:212989:225976,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccnc(N4CCOCC4)c3F)s2)CC1,RMMYIVBPFIANEE-UHFFFAOYSA-N
-rxn:4:212991:223840,COc1ccc(-c2cnc(OCC3CCN(S(=O)(=O)C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,UYKDHXNYZYJDTN-UHFFFAOYSA-N
-rxn:4:213013:222634,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,PSQMJQLIMMCUKW-UHFFFAOYSA-N
-rxn:4:213037:224497,CCN1CCN(Cc2ccc(-c3cnc(OC4CCN(CCC(C)C)CC4)nc3)cc2)CC1,ISLMRUCTLQSXQB-UHFFFAOYSA-N
-rxn:4:213038:226520,COc1ccc(-c2c[nH]c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OC)c1OC,UGVOEFJFFFAGJJ-UHFFFAOYSA-N
-rxn:4:213081:224605,CCN(CC)C(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)c(OC)c1,WVTBBYGRJUCHLH-UHFFFAOYSA-N
-rxn:4:213103:223575,COc1ncccc1C(=O)N1CCC(Oc2ncccc2-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)CC1,VXBQKUZYHLNEBO-UHFFFAOYSA-N
-rxn:4:213109:222716,O=S(=O)(NC1CCCC1)c1ccc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccccc4)CC3)nc2)cc1F,FOGJZAFIQAADHG-UHFFFAOYSA-N
-rxn:4:213127:223167,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccnc(N4CCNCC4)c3)ccn2)CC1,GAKKULIPRWCFRV-UHFFFAOYSA-N
-rxn:4:213132:225875,CC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,MMSYHMSGRLIDHO-UHFFFAOYSA-N
-rxn:4:213135:224290,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(Cl)cc3OCCN3CCOCC3)cn2)CC1,CCSAJMISKTYBBU-UHFFFAOYSA-N
-rxn:4:213135:224759,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)CC1,NHCASPOLHYPGDY-UHFFFAOYSA-N
-rxn:4:213161:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)c4cccc(OC)c4)CC3)nc2)cc1,PGJYIODJGODCAI-UHFFFAOYSA-N
-rxn:4:213182:223606,Cc1ccc(CC(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c(F)c4)cn3)CC2)cc1,XCWWKWVMOKOLFJ-UHFFFAOYSA-N
-rxn:4:213191:226856,COc1cnc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cn1,FQQLBMDYYNUYGG-UHFFFAOYSA-N
-rxn:4:213208:223598,O=C(c1csc(-c2ccccc2)n1)N1CCC(Oc2ncccc2-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)CC1,PARJMOBCODBWKY-UHFFFAOYSA-N
-rxn:4:213215:224821,O=S(=O)(c1cc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)ccc1F)N1CCCC1,ALQIWPIKSVJUGK-UHFFFAOYSA-N
-rxn:4:213216:225386,O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1-c1cnc(OCC2CCCN(CC3CCCCO3)C2)nc1,WKBOTFBRXHCSSL-UHFFFAOYSA-N
-rxn:4:213253:227466,COCCOc1ccc(-c2cnccc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)cn1,GVNMZLSIGCRAOT-UHFFFAOYSA-N
-rxn:4:213272:226297,CC(C)OCc1cc(-c2ccc(OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)C3)nc2)ccc1F,ZJJXYFKZIXCXBV-UHFFFAOYSA-N
-rxn:4:213280:224036,CC(C)(C)c1ccc(-c2ccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)c(N4CCCCC4)c3)cc2)cc1,CQYLWSLAYUIVQC-UHFFFAOYSA-N
-rxn:4:213281:226785,Cc1cnn(-c2ncc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cn2)c1,HZAGXAPNFUVLRB-UHFFFAOYSA-N
-rxn:4:213281:226929,Cc1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c2cccnc12,ZYZSQSQPBNAQPB-UHFFFAOYSA-N
-rxn:4:213283:223790,Cc1ccccc1-c1noc(CC2CCCN(C(=O)c3ccccc3-c3cncc(C4CCCN4C(=O)OC(C)(C)C)c3)C2)n1,LNPAFIVNVZVKIB-UHFFFAOYSA-N
-rxn:4:213334:225773,CC(C)OC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCN(c4nc5ccc(OC(F)(F)F)cc5s4)CC3)o2)c1,OFQHXUKUESCEPQ-UHFFFAOYSA-N
-rxn:4:213336:223123,COC(=O)c1nc(-c2ccc(NC(=O)C(C)C)cc2)n2c1CCN(C(=O)OC(C)(C)C)CC2,IJQUWJUDUXTWKC-UHFFFAOYSA-N
-rxn:4:213368:225262,COc1cc(C(=O)N(C)OC)ccc1-c1ccccc1CCC(=O)N1C2CCC1CC(n1cccn1)C2,FUWLIGHZFBXTOD-UHFFFAOYSA-N
-rxn:4:213377:225223,CCCN1C(=O)C(=Cc2c(Oc3ccc(-c4cnc(N5CCC(C)CC5)cc4F)cc3)nc3ccccn3c2=O)SC1=S,LHMHQGWDURAURX-UHFFFAOYSA-N
-rxn:4:213392:225275,COCCOc1c(F)c(C)cc(-c2cnc(OCC3CCCN(Cc4ccc5c(c4)OCCO5)C3)nc2)c1F,LGFOPIGRUNVWHT-UHFFFAOYSA-N
-rxn:4:213414:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4[nH]c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5C)cc4c3)c3ccccc23)CC1,GZKUHCMCPPUJST-UHFFFAOYSA-N
-rxn:4:213424:224718,O=C(c1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1)N1CCC(COc2cc3c(nn2)CCCC3)CC1,SAJJWPNPPRXQBL-UHFFFAOYSA-N
-rxn:4:213440:223895,CCN1CCN(CCOc2ccc(-c3ccc4ccn(CC(=O)N5CCN(C(=O)C6COc7ccccc7O6)CC5)c4c3)cc2)CC1,NKHWCIZNCOLFHS-UHFFFAOYSA-N
-rxn:4:213458:222968,COc1ccc(-c2ccc(C(=O)NCC(C)C)cc2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,JNDRRAHWCPIHKA-XWHIBYANSA-N
-rxn:4:213460:224396,Cc1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccncc2)N(CCCN(C)C)C4=O)ccc1S(=O)(=O)N1CCOCC1,ILVQRQLZZXCBNE-UHFFFAOYSA-N
-rxn:4:213469:226127,CCOc1ccc(C(C)C)cc1-c1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c(F)c1,GJQFGDBHKAZKBC-SLGZMBILSA-N
-rxn:4:213471:226655,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cnc3N3CCCC3)cc2)CC1,QOJHKDQHUXOMHZ-UHFFFAOYSA-N
-rxn:4:213471:226659,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCC4)c(Cl)c3)cc2)CC1,LKFWOINDLQJTCT-UHFFFAOYSA-N
-rxn:4:213471:226691,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(Cl)c(N4CCCC4)c3)cc2)CC1,YVXGKYQUMZRDBP-UHFFFAOYSA-N
-rxn:4:213471:227194,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3cnc4c(Cl)cccc4c3)cc2)CC1,QABKZWVSZVEZFD-UHFFFAOYSA-N
-rxn:4:213471:227445,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(Cl)c(C4CCC4)c3)cc2)CC1,MRMVTXSKXNOPPV-UHFFFAOYSA-N
-rxn:4:213471:229189,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3c(F)ccnc3Cl)cc2)CC1,HAUXHQAURMDPRW-UHFFFAOYSA-N
-rxn:4:213471:229257,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3cncc(Cl)c3)cc2)CC1,VPFFSVBIOISEHW-UHFFFAOYSA-N
-rxn:4:213471:229260,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)nc3)cc2)CC1,WLMKTXYWZGDRKL-UHFFFAOYSA-N
-rxn:4:213471:229261,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3ccnc(Cl)c3)cc2)CC1,LAEYDOPANVDDKX-UHFFFAOYSA-N
-rxn:4:213471:229262,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(-c3cccnc3Cl)cc2)CC1,PYXPAESUVHBRSV-UHFFFAOYSA-N
-rxn:4:213472:223760,COc1cc(-c2ccccc2C(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(OC)cc1OCc1ccccc1,WQLKQXBVHNEUEZ-UHFFFAOYSA-N
-rxn:4:213475:224440,COc1cc(-c2cc(C)cc(OCc3ccccc3)c2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,PQHCMSCHLMNONN-LTEXWBDZSA-N
-rxn:4:213480:222833,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc(NC(=O)CCC(C)C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,XZLAUMVRNKQKSS-LCQPTLMKSA-N
-rxn:4:213480:224569,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(OCC5CCCCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,DCTMVDVPGGMPPW-NHZPJIEJSA-N
-rxn:4:213480:225904,CON(C)C(=O)c1ccc(F)c(-c2cncc(C(=O)OC[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@@]4(OC)C3)c2)c1,GCYNCRDCWNKBNO-FGWXRDQWSA-N
-rxn:4:213480:226792,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCOCC5)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,NAIWUJHQLIPSPH-KEVCDPDLSA-N
-rxn:4:213482:223539,COC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)nn1CC#N,PSEJOBAPNVBCAU-UHFFFAOYSA-N
-rxn:4:213656:223945,Fc1cc(-c2cnn(CC3CCN(CC4CC4)C3)c2)ccc1OCCCN1CCOCC1,HIVNMXNAIXZOLD-UHFFFAOYSA-N
-rxn:4:213716:224718,CC(C)OC(=O)N1CCC(n2cc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,UKUPSWOZPHBKGY-UHFFFAOYSA-N
-rxn:4:213755:225095,CCOC(=O)c1ccc(OCC)c(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,JUYHELBJCIJKNU-UHFFFAOYSA-N
-rxn:4:213786:222742,Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CCNCC3)nc(C3CC3)c2)C1,UGJLAEURKIEEDC-UHFFFAOYSA-N
-rxn:4:213798:225295,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccccc3S(=O)(=O)N3CCCC3)cn2)C1,DNBLDWAZTHADGF-UHFFFAOYSA-N
-rxn:4:213799:222684,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)ncn2)C1,SBUHINFMAKJEQQ-UHFFFAOYSA-N
-rxn:4:213835:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccnn1C1CCN(C(=O)OC(C)(C)C)CC1,XWEJRKLAUJZPJN-UHFFFAOYSA-N
-rxn:4:213837:224663,CN1CCN(Cc2ccc(-c3ccn(C4CCCN(C(=O)OC(C)(C)C)C4)n3)cc2F)CC1,GFZRWFSCCKPLJL-UHFFFAOYSA-N
-rxn:4:213844:225294,CCN1CCN(c2ncc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4=O)n3)cn2)CC1,RQZGVGIRNUMYIC-UHFFFAOYSA-N
-rxn:4:213863:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)cc2)CC1,XKWWQHSZOIOAAY-UHFFFAOYSA-N
-rxn:4:213869:222624,CC(C)Cc1cc(-c2ccc(S(=O)(=O)N3CCC(Oc4ncc(F)cn4)CC3)cc2)cc(C2CCNCC2)n1,YHEIBSLWEWVDMM-UHFFFAOYSA-N
-rxn:4:213871:222941,CONS(=O)(=O)c1c(C)cc(-c2cnc(OC3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)nc2)cc1C,BENPNIAJWWPLAS-UHFFFAOYSA-N
-rxn:4:213873:225296,CC(C)N1CCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1,GBCKNBKINUAUOL-UHFFFAOYSA-N
-rxn:4:213899:222725,CCNS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nc2C(=O)OC)c(C(F)(F)F)c1,TUNZMQKEOMBLOT-UHFFFAOYSA-N
-rxn:4:213902:225898,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnn(CCN4CCOCC4)c3)cc2F)CC1,IJBSUWALEGKRFQ-UHFFFAOYSA-N
-rxn:4:213909:222696,Cc1oncc1CN1CCN(C(=O)c2cccc(-c3ccc(F)c(C(=O)N4CCC(O)CC4)c3)c2)CC1,QVXIBQRVRNLQIN-UHFFFAOYSA-N
-rxn:4:213931:224764,O=C(c1ccc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)c(F)c1)N1CCOCC1,VFIZJSKFUSURQC-UHFFFAOYSA-N
-rxn:4:213944:225090,CCOCc1cc(OC)c(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)[nH]2)c(OC)c1,IYVJXFFHSNWDBA-UHFFFAOYSA-N
-rxn:4:213955:222590,O=C(C1CC=CCC1)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)cn2)CC1,TYYQZLSZFQGIMG-UHFFFAOYSA-N
-rxn:4:213973:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cc(C(F)(F)F)cnc3N3CCOC(C(=O)N4CCSCC4)C3)c2Cl)CC1,CTDGVVPGIQSHTJ-UHFFFAOYSA-N
-rxn:4:213986:223761,Cc1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,RFSBRKIWWGZIHS-UHFFFAOYSA-N
-rxn:4:213994:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2)cc1,MBDOCVKDSWTQRR-GOSISDBHSA-N
-rxn:4:214003:225684,Cc1nc(C2CCOCC2)ccc1-c1cccnc1OC1CCN(C(=O)C2CC(=O)N(C)C2)CC1,VSJBFKPHSZEPPC-UHFFFAOYSA-N
-rxn:4:214012:222854,COc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,SLVAOPFHOQQZKP-UHFFFAOYSA-N
-rxn:4:214033:227926,CC(C)Sc1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc1,UFUKHKNPTDNWJX-DNQXCXABSA-N
-rxn:4:214036:224991,CN(C)c1ccc(C2CC(c3ccc(-c4cc(C5CC5)nc(N5CCCC5)c4)cc3)=NN2S(C)(=O)=O)cc1,VRFJYTKWWSNJPB-UHFFFAOYSA-N
-rxn:4:214039:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C4SCCN4S(=O)(=O)c4c(C)nn(C)c4C)ccc3OC)c(F)c2)CC1,BEWWGPXEMSYSEU-DKXBVIRQSA-N
-rxn:4:214058:224090,COC1CCN(C2CCN(C(=O)c3cncc(-c4ccccc4OCc4ccccc4C#N)c3)CC2)CC1,PKCMPZDJACTXQS-UHFFFAOYSA-N
-rxn:4:214075:225390,CC(C)Cc1cc(-c2ccc(CN3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)cc2)cc(C2CC2)c1,CCOFKLRLIMMOTK-UHFFFAOYSA-N
-rxn:4:214079:225056,CC1CCCN(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCCC4)c3)c(F)c2)C1,KQKUOJIDHKZSFY-UHFFFAOYSA-N
-rxn:4:214125:224309,CC(C)(C)OC(=O)n1nc(-c2c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c2F)c2cc([N+](=O)[O-])ccc21,YNLWMDDBFFJCMP-UHFFFAOYSA-N
-rxn:4:214162:224195,CCN1CCN(Cc2cc(-c3ccc4[nH]c(C(=O)N5CCN(CC(F)(F)F)CC5)cc4c3)ccc2Cl)CC1,GTYBQJFDHPPPQC-UHFFFAOYSA-N
-rxn:4:214183:224683,CC(C)(C)OC(=O)N1CC(c2ncn3cc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)ccc23)C1,UKNQBKHTPAXOTP-UHFFFAOYSA-N
-rxn:4:214191:222943,CC(=O)N1CCN(C(=O)Cn2ccc3ccc(-c4ccc(F)c(S(=O)(=O)NC5CC5)c4)cc32)CC1,DDXLATAZNYXHGN-UHFFFAOYSA-N
-rxn:4:214191:224371,COC(=O)C1CCN(c2ncc(-c3ccc4ccn(CC(=O)N5CCN(C(C)=O)CC5)c4c3)cn2)CC1,PUHFVWDDGJTMBC-UHFFFAOYSA-N
-rxn:4:214201:223663,CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(-c3cc(OCc4ccccc4)cc(OC(F)(F)F)c3)cn1)C2,BKKUPRXFRDKHMZ-UHFFFAOYSA-N
-rxn:4:214235:224654,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(CC(=O)N3C4CCC3CC(n3ccnc3)C4)cc2)ccc1F,MMDLPFBWDOQWBB-UHFFFAOYSA-N
-rxn:4:214252:223110,CC(C)(C)NCc1ccc(-c2ccc(N3C(=NC(=O)c4cccc([N+](=O)[O-])c4)SC4CS(=O)(=O)CC43)cc2)cc1,VCCSFLASXIRSGA-UHFFFAOYSA-N
-rxn:4:214255:224652,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c2)c2c(Cl)ncnc21,AAXMLUWKABMGAN-UHFFFAOYSA-N
-rxn:4:214274:224751,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4ccc(F)c(C(=O)N5CCOCC5)c4)cccc32)CC1,BVTCHJFDNXDPQL-UHFFFAOYSA-N
-rxn:4:214276:225735,CCOc1cc(-c2cnc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cc(Cl)c1OCC,JSGNVJUQZGDMNQ-UHFFFAOYSA-N
-rxn:4:214322:222963,CCCNC(=O)Cc1ccc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCC5)CC3)cc2)cc1,CVPMGACMUGOXDB-UHFFFAOYSA-N
-rxn:4:214335:223807,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccccc2-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)CC1,QEENRVUHDBDKQK-UHFFFAOYSA-N
-rxn:4:214362:224172,CCn1cc(-c2nc(-c3ccc(-c4cccc(CN(C)C(=O)OC(C)(C)C)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,QJXRIDAHENHOGK-UHFFFAOYSA-N
-rxn:4:214477:222714,CN(C)S(=O)(=O)n1cc(-c2cc(NC(=O)OC(C)(C)C)cc(F)c2F)c(C(F)(F)F)n1,WENMBIKYVHRXHR-UHFFFAOYSA-N
-rxn:4:214618:222524,CC(=O)N1CCC(Cc2cnc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cn2)C1,QYBQPCXQJULXLB-UHFFFAOYSA-N
-rxn:4:214630:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3c(C4CC4)n[nH]c3C(=O)N3CCOCC3)c(F)ncc21,HEUJJRLOQKETJB-UHFFFAOYSA-N
-rxn:4:214654:224325,CN1CCC(Oc2ncc([N+](=O)[O-])cc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,CWZWOLMAGDYPEF-UHFFFAOYSA-N
-rxn:4:214660:223787,CN1CCN(CCCOc2ccc(-c3cnn(C)c3C(=O)N3CCC(C(F)(F)F)CC3)cc2F)CC1,HDYCMDKBYZKIBA-UHFFFAOYSA-N
-rxn:4:214677:224371,CCN1CCN(c2cc(-c3cnc(N4CCC(C(=O)OC)CC4)nc3)ccc2C#N)CC1,WWQXXDKWMOZUNX-UHFFFAOYSA-N
-rxn:4:214679:224789,CCCOc1cc(OC(F)(F)F)cc(-c2cn(C)nc2CN2CCC(C(F)(F)F)CC2)c1,JGVCHWVDERHRSK-UHFFFAOYSA-N
-rxn:4:214702:223728,CCCCCC1CCC(c2ccc(-c3ccc(N4CCN(CC)CC4)c([N+](=O)[O-])c3)c(F)c2)CC1,PPKSFUSKAOSEJX-UHFFFAOYSA-N
-rxn:4:214706:222432,CS(=O)(=O)N1CCCC(Cc2cnc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)C1,AFYYWEBEIPXAFK-UHFFFAOYSA-N
-rxn:4:214712:224176,CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2ccc(OCCSC3CCOCC3)cc2)cn1,ZVSBEMGSRBPXOV-UHFFFAOYSA-N
-rxn:4:214802:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccnc3N3CCOC(C(=O)N4CCCC4)C3)ccn2)CC1,XICYZTMLWUEWEC-UHFFFAOYSA-N
-rxn:4:214805:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)cc2)CC1,BCHGFQYMOAJWDG-UHFFFAOYSA-N
-rxn:4:214828:223754,CC1CCN(CCCOc2ccc(-c3cccc(C(=O)N4CCC(c5ccn(C)n5)CC4)c3)cc2Cl)CC1,TWPFBQDWNYLRTM-UHFFFAOYSA-N
-rxn:4:214829:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1cccnc1N1CCOC(C(=O)N2CCSCC2)C1,XDBCVMAXSYCUHP-UHFFFAOYSA-N
-rxn:4:214835:226471,CN(C)CCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cn1,GHNHOMOMGJLAHQ-UHFFFAOYSA-N
-rxn:4:214838:227213,CCCCSc1cncc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)c1,QBMGWMMRQPFLQW-UHFFFAOYSA-N
-rxn:4:214867:225383,Cc1cc(-c2c(C(F)(F)F)cccc2C(F)(F)F)cnc1N1CCOC(C(=O)N2CCCC2)C1,GMWWTBGEUZKWAM-UHFFFAOYSA-N
-rxn:4:214868:225363,O=C(c1ccc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cn1)N1CC(F)(F)C1,OBXWESRPAZTZPX-UHFFFAOYSA-N
-rxn:4:214868:226554,CCCOc1cc(F)c(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1F,NTQIVBOFVDGFAF-UHFFFAOYSA-N
-rxn:4:214874:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(F)c3)c2Cl)CC1,UFLWXRFIHAFCIA-UHFFFAOYSA-N
-rxn:4:214880:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)c1,JGUFJIDMJPBCJS-UHFFFAOYSA-N
-rxn:4:214883:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cnccc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,QSUDSGBODSUJTH-UHFFFAOYSA-N
-rxn:4:215056:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(CSC4=NN5CCCC(=O)N=C5S4)cc3)c2)CC1,CTPZXMMRXAFERH-UHFFFAOYSA-N
-rxn:4:215099:225282,CCC(C)c1ncc(-c2cnn3c2CN(C(=O)OC(C)(C)C)[C@H](C)C3)cc1C(F)(F)F,XUYUOJDRWFSVJD-ARLHGKGLSA-N
-rxn:4:215105:224712,CC(=O)OC(OC(C)=O)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc1,ZHRSZPAPAGXFQK-UHFFFAOYSA-N
-rxn:4:215148:224411,CN(C)S(=O)(=O)c1ccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c1,JHANTSZTUFJZAW-UHFFFAOYSA-N
-rxn:4:215166:224400,O=C(c1ccccc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1)N1C2CCC1CC(n1cccn1)C2,YAVXEYWCWRWEIO-UHFFFAOYSA-N
-rxn:4:215170:222694,O=C(c1cncc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,HKSHEOOSHDGWBF-UHFFFAOYSA-N
-rxn:4:215184:222514,COc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2cccn2)C3)cc1S(=O)(=O)NC1CCCCC1,IPABOYPRJVEXPZ-UHFFFAOYSA-N
-rxn:4:215197:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccccc2S(=O)(=O)N2CCC3CN(c4ccccn4)CC32)cc1,AJHDCVSSWKHGRY-YFPLAWBCSA-N
-rxn:4:215216:223115,CC(=O)NCCc1ccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1,JRAQEVRSPBOCFJ-UHFFFAOYSA-N
-rxn:4:215295:223255,CONC(=O)c1cccc(-c2cnc3n2CCc2ccccc2C32CCN(C(=O)OC(C)(C)C)CC2)c1,TVPBXOYYVSBKDS-UHFFFAOYSA-N
-rxn:4:215296:224797,CCCCOc1c(F)c(F)c(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(CCC)CC2)O3)c(F)c1F,PSVZLRSHSQEDHL-UHFFFAOYSA-N
-rxn:4:215298:225312,CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3cnc(N4CCCN(C)CC4)nc3)cc12,NDZCMESQQBVDDD-UHFFFAOYSA-N
-rxn:4:215310:222847,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3cc(C#N)cc(C4CCCNC4)c3)cc2)c2ccccc21,CNPISVLKUZMAQW-UHFFFAOYSA-N
-rxn:4:215612:223501,CCc1nnn(C(C)C)c1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1,MNMOMXPSHWLQEA-UHFFFAOYSA-N
-rxn:4:215864:223659,CN1CCN(C(=O)c2cc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2F)CC1,PWFXEWGDLSGXCH-UHFFFAOYSA-N
-rxn:4:215866:223606,CN1CCN(C(=O)c2ncc(Cl)cc2-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)CC1,WQWUGOSHCOWGKL-UHFFFAOYSA-N
-rxn:4:215899:224394,Cc1ccc(-c2cnc(C3CCCN(S(C)(=O)=O)C3)cn2)cc1S(=O)(=O)N1CCOCC1,YDMKVXNDBCVZDX-UHFFFAOYSA-N
-rxn:4:215907:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)nc1,MEFGHGYQVFFJSG-UHFFFAOYSA-N
-rxn:4:215970:223952,CSc1ncc(-c2ccc(OCCN3CCN(C)CC3)c(Cl)c2)c(N2CCC3(CC2)OCCO3)n1,BYKDYZAHSIQGDH-UHFFFAOYSA-N
-rxn:4:215990:226831,CCCn1cc(-c2ccc(N3CCN(C4CCN(C)CC4)CC3)cc2)c(C(F)(F)F)n1,ZYNUHNGPHJRUKI-UHFFFAOYSA-N
-rxn:4:216157:223480,Cc1cc(-c2ccc(Oc3ccn4ncnc4c3)c(C)c2F)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PQANSBGFDBOIRS-UHFFFAOYSA-N
-rxn:4:216231:224687,C=C1CC2CCC(C1)N2c1nc(SC)ncc1-c1cc(F)cc(CN2CCC(=O)CC2)c1,JDBSHNMYZHJTHC-UHFFFAOYSA-N
-rxn:4:216245:222714,CN1CCN(C(=O)C(C)(C)C)c2cc(-c3cc(NC(=O)OC(C)(C)C)cc(F)c3F)cnc21,KMAUQAHVPBOSFD-UHFFFAOYSA-N
-rxn:4:216294:224651,CC(C)(C)[Si](C)(C)Oc1cccc(F)c1-c1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)F)nc1-2,YSTVRDVDLHOOOT-IBGZPJMESA-N
-rxn:4:216351:224374,CCC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3cc(S(=O)(=O)N4CCCC4)ccc3OC)cc12,VSGIMUATZPRPEP-UHFFFAOYSA-N
-rxn:4:217865:223991,C=C1CC2CCC(C1)N2c1ncc(-c2c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c2F)cn1,FXVKZHLZZOTAKE-UHFFFAOYSA-N
-rxn:4:217905:222718,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)ccc2OC32CCN(C)CC2)o1,HSTIZGRPHLAQAE-UHFFFAOYSA-N
-rxn:4:218581:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(OCC4CCN(C(=O)Cc5cccnc5)CC4)nc3)c2)CC1,AZHCSLVQLXSZOZ-UHFFFAOYSA-N
-rxn:4:218605:224746,COc1ncccc1C(=O)N1CCC(COc2ncc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)cn2)CC1,ZYEUACKJDOIYRD-UHFFFAOYSA-N
-rxn:4:218606:222943,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(F)c(S(=O)(=O)NC4CC4)c3)cn2)C1,GOLXYVNKFPLYNL-UHFFFAOYSA-N
-rxn:4:218606:223954,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCC(=O)CC4)c(F)c3)cn2)C1,BMZKFKCJZLJGOS-UHFFFAOYSA-N
-rxn:4:218606:224323,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(C)c(S(=O)(=O)N4CCCC4)c(C)c3)cn2)C1,KYDFTVXFVJRZJD-UHFFFAOYSA-N
-rxn:4:218620:225145,N#Cc1cc(-c2cnc(OCC3CCCN(Cc4csc(C5CC5)n4)C3)nc2)ccc1N1CCOCC1,DDBFNHDVURJHLT-UHFFFAOYSA-N
-rxn:4:218652:228348,CN(C)c1ccc(-c2cnc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(F)n1,DAAJVUXVEXRRCU-UHFFFAOYSA-N
-rxn:4:218665:222833,CC(C)CCC(=O)Nc1cccc(-c2cnc(OCC3CCCN(C(=O)c4cccc(N(C)C)c4)C3)nc2)c1,ZPFQHGZSIHDALA-UHFFFAOYSA-N
-rxn:4:218686:223283,CNc1ccc(-c2cnccc2N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1[N+](=O)[O-],URRAOLGFFMAUAN-UHFFFAOYSA-N
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-rxn:4:218818:223785,CCN1CCN(CCOc2ccc(-c3ccc(OC)cc3C(=O)N3CC(Cn4ccnn4)C3)cc2Cl)CC1,ACAQUFYMWLIWHA-UHFFFAOYSA-N
-rxn:4:218824:224616,CN(CC1CN(c2ncc(-c3ccccc3OCCN3CCOCC3)cn2)C1)S(=O)(=O)C1CC1,QJEVOSSAHIVPHE-UHFFFAOYSA-N
-rxn:4:218846:222872,COc1cc(C(=O)NC2CC2)ccc1-c1cnc(OC2CCN(C(=O)CN3C(=O)CCC3=O)C2)nc1,MUQIWQSBJSDUTO-UHFFFAOYSA-N
-rxn:4:218847:224373,COc1ccc(-c2cnc(OC3CCN(C(=O)c4cccnc4OC)C3)nc2)cc1S(=O)(=O)N1CCCC1,VSTQHWRADNJDQH-UHFFFAOYSA-N
-rxn:4:218867:226844,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)no1,RGDUAVBGFGUEFX-UHFFFAOYSA-N
-rxn:4:218886:223602,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)C1,GTLJRUIGNCMGMJ-UHFFFAOYSA-N
-rxn:4:218888:224592,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3cc(C4(C#N)CCCCC4)ccc3F)cn2)C1,INLPRVQWDWZATB-UHFFFAOYSA-N
-rxn:4:218896:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5cncc(F)c5)C4)nc3)c2)CC1,NXFMZMFYNREGLW-UHFFFAOYSA-N
-rxn:4:218898:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OCC4CCN(C(=O)c5ccncc5F)CC4)nc3)cc2F)CC1,KFQBIOZSNHPYGC-UHFFFAOYSA-N
-rxn:4:218944:228623,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3sccc3C3CCC3)cc2[N+](=O)[O-])CC1,HRYUEOHNHWIOTL-UHFFFAOYSA-N
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-rxn:4:218951:225733,CCCCOc1cc(-c2cnc(N3CCC(Oc4ncc(OC)cn4)CC3)c(C(F)(F)F)c2)c(F)cc1F,AFYQBUIZMZHPEN-UHFFFAOYSA-N
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-rxn:4:218970:222922,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cn2)C1,JWHAJNPPIQKMPN-UHFFFAOYSA-N
-rxn:4:218972:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5sc(C)nc5C)C4)nc3)c(F)c2)CC1,NFLIDNXTZYSHOJ-PECFQXNXSA-N
-rxn:4:218992:227901,CC(C)Cc1ccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)cn1,NZUKKYGITCYKAB-UHFFFAOYSA-N
-rxn:4:218998:223812,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,AETLGYUEXWOTRV-UHFFFAOYSA-N
-rxn:4:218999:223976,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cc(OC3CCCC3)cc(OC(F)(F)F)c2)cc1C#N,IAZFOMVFRGGNDD-SFHVURJKSA-N
-rxn:4:219011:222735,CN(c1cnc(-c2cccc(C(=O)NC3CCCCC3)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,QNPWHZWLYAAIBR-UHFFFAOYSA-N
-rxn:4:219011:224365,CCCCOc1cc(-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc(C(F)(F)F)c1F,ZLMJMYZMAAVVPE-UHFFFAOYSA-N
-rxn:4:219011:226225,COCCOCc1cccc(-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1,QLLCHXYTDUSAOX-UHFFFAOYSA-N
-rxn:4:219026:226844,CC1CN(C(=O)c2c(-c3ccnc(C(=O)C(F)(F)F)c3)cnn2C)CCN1C(=O)OC(C)(C)C,NTEFDTVAEMBRLH-UHFFFAOYSA-N
-rxn:4:219045:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccccc1C(=O)N1CCN(CCn2nc(C)cc2C)CC1,DYKGJOGCVGLUAJ-UHFFFAOYSA-N
-rxn:4:219046:227249,CCCOc1ccc(Cl)c(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)c1,RTHQKGOLSRUBAL-UHFFFAOYSA-N
-rxn:4:219047:225641,COc1ccc(-c2ccnc(N3CCCC(C)C3)c2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,DLLVNKMLIFRDAZ-UHFFFAOYSA-N
-rxn:4:219053:225977,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(Cl)cnc4N4CCOCC4)c3)cn2)CC1,MZAQDHXJBPBAIK-UHFFFAOYSA-N
-rxn:4:219074:222511,COc1cccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cc(C(=O)NC6CCCCC6)cc([N+](=O)[O-])c5)cc4)n[nH]3)CC2)c1,CYDKXUDDVOELQM-UHFFFAOYSA-N
-rxn:4:219078:227798,O=C(c1ccccc1-c1ccc(Cl)c([N+](=O)[O-])c1F)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,NAHGOCBPBFGBIJ-UHFFFAOYSA-N
-rxn:4:219128:223975,CC(C)(C)OC(=O)n1cc(-c2cnc(OCC3CCN(Cc4nc5c(s4)CCC5)CC3)nc2)c2nc(Cl)ccc21,SNMYWEUTHLWLJM-UHFFFAOYSA-N
-rxn:4:219184:225010,CCCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(F)c(CN5CCCCC5)c4)cc2)OC3)CC1,NUZQFYJOAOSGMI-UHFFFAOYSA-N
-rxn:4:219238:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(OC4CCN(C(=O)c5ccno5)C4)nc3)ccc2F)CC1,MOKPEQFTPSABKO-UHFFFAOYSA-N
-rxn:4:219250:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)N4CC(Cn5cncn5)C4)c3)ccc2OC)CC1,FMPVPABIVZAHKV-UHFFFAOYSA-N
-rxn:4:219375:224180,CN1CCN(CCOc2ccccc2-c2cn(C3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1,YJYCSXRZEYOLCS-UHFFFAOYSA-N
-rxn:4:219386:223813,Cn1nc(C(=O)N2CCC(Oc3ccncc3-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)C2)ccc1=O,CKECFBHOGZVLDB-UHFFFAOYSA-N
-rxn:4:219414:223641,CCc1cc2c(cc1F)cc(-c1cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c1)n2C(=O)OC(C)(C)C,WBISEJHKCNWTCE-UHFFFAOYSA-N
-rxn:4:219433:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)o3)c2)CC1,QUIKBQJKNOASMC-UHFFFAOYSA-N
-rxn:4:219451:224246,CC1CCN(C(=O)c2ccc(-c3cn(C)nc3C(=O)N3CCCN(CC4CC4)CC3)cc2F)CC1,SAVIWKRENPMQQB-UHFFFAOYSA-N
-rxn:4:219455:226565,CCOc1cc(-c2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c(F)cc1OC,BTGGXRVKWXHYHZ-UHFFFAOYSA-N
-rxn:4:219471:227470,CCCOc1ncc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCCC3)C2)c(C)n1,YOCJUNISSGXZPG-UHFFFAOYSA-N
-rxn:4:219497:228331,CCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(C#N)c2)c1Cl,ROCMXUXEYIJWKM-UHFFFAOYSA-N
-rxn:4:219498:224393,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1cc(C(F)(F)F)ccc1N1CCOCC1,MCTSUTKHPFIQJS-UHFFFAOYSA-N
-rxn:4:219501:224016,CSc1ncc(-c2cn(S(=O)(=O)N(C)C)nc2-c2ccccn2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,AEHLQUGLECCTOC-UHFFFAOYSA-N
-rxn:4:219501:227301,CSc1ncc(-c2ccc(F)cc2CN(C)C)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,WPHSTWYKWVMXIB-UHFFFAOYSA-N
-rxn:4:219506:226429,CC1CCCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)s2)C1,KKMHTOSRLPAAIP-UHFFFAOYSA-N
-rxn:4:219531:222838,CSc1ncc(-c2ccc(CNC(=O)C(C)(C)C)cc2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,NWVBDCDGRGZMGF-UHFFFAOYSA-N
-rxn:4:219538:228303,CCN(C)c1ncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)cn1,YXEVODUPWMZRAC-UHFFFAOYSA-N
-rxn:4:219552:225049,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cc(C)nc(-c2cccc(C)n2)c1,ZAMMUNBDILWHHT-UHFFFAOYSA-N
-rxn:4:219565:223140,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccnc(C5CCCNC5)c4)cc3)CC2)n1,LYFBPJKCUXBPQA-UHFFFAOYSA-N
-rxn:4:219620:223696,CS(=O)(=O)c1cccc2sc(N3CC(Cn4cc(-c5ccc(S(=O)(=O)N6CCC7(CC6)OCCO7)cc5)cn4)C3)nc12,OWPNCSYHUZHEBB-UHFFFAOYSA-N
-rxn:4:219653:223065,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccc(N5CCNCC5)cc4F)nc3s2)CC1,MRYPTSLXRYTNHE-UHFFFAOYSA-N
-rxn:4:219654:222826,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc23)CC1,TWXBJNPDJNMOLP-UHFFFAOYSA-N
-rxn:4:219673:222604,COc1ccc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c(C(=O)N2C3CCC2CC(n2ccnn2)C3)c1,WRVFGWIBWCCWPL-UHFFFAOYSA-N
-rxn:4:219689:225979,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(N5CCOCC5)c(Cl)c4)n3c2)CC1,QHMAFFBLMOAJBW-UHFFFAOYSA-N
-rxn:4:219750:225975,COc1ccc(-c2ccnc(N3CCOCC3)c2Cl)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,CBQFNVIDHBHOOU-UHFFFAOYSA-N
-rxn:4:219759:222862,CCCCNC(=O)c1ccc(-c2ccc(C3Cn4nc(C(=O)N5CCN(CC)CC5)cc4CO3)cc2)cc1F,YYRAKHRQSMQKIZ-UHFFFAOYSA-N
-rxn:4:219766:224974,CN1CCN(Cc2ccccc2-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)CC1,GLJRAOYVINSDIB-UHFFFAOYSA-N
-rxn:4:219766:226734,CN(C)S(=O)(=O)c1cccc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)c1,HNUYPOYGGDHSLJ-UHFFFAOYSA-N
-rxn:4:219771:223562,CC(C)(C)OC(=O)N1CCC(Cc2ccc(-c3ccc4nc(N5CCN(C(=O)c6ccccc6Cl)CC5)nc(-c5ccccc5)c4c3)cc2)CC1,QTSSRYNKGQMGCS-UHFFFAOYSA-N
-rxn:4:219907:223866,Cc1c(C(=O)N2CCOCC2)nnn1-c1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1,JLIRBNRZCLRLQE-UHFFFAOYSA-N
-rxn:4:219917:224761,O=C1CN(S(=O)(=O)c2ccccc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)CCN1c1ncc(F)cn1,YQGNPDIQMHIPRQ-UHFFFAOYSA-N
-rxn:4:219955:222894,CCCCS(=O)(=O)Nc1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c1,CFULOFKFUKEWER-UHFFFAOYSA-N
-rxn:4:219959:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c(F)c2s1,BJFRRNSLWWHEGV-UHFFFAOYSA-N
-rxn:4:219998:224668,CCN1CCN(c2cc(F)cc(-c3cnc(N4CCC(C(=O)N5CCC(F)(F)CC5)CC4)nc3)c2)CC1,JPALGGCBFCASED-UHFFFAOYSA-N
-rxn:4:220133:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2nccn2)C3)cc1S(=O)(=O)NC1CCCC1,RQDMSPHGLHXEEO-UHFFFAOYSA-N
-rxn:4:220134:222786,CC(C)(C)OC(=O)Nc1cc(F)cc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2ccnn2)C3)c1,ZMKWILFKEOCHQA-UHFFFAOYSA-N
-rxn:4:220137:223953,COCCN1CCN(c2cc(F)cc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)c2)CC1,ISEYKKHSNWULSO-UHFFFAOYSA-N
-rxn:4:220158:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccccc1S(=O)(=O)N1CC2CN(c3cnccn3)CC2C1,MDGAKFQKXMOSOM-UHFFFAOYSA-N
-rxn:4:220194:224128,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(C(=O)N(C)C6CCCCC6)cc5)c(C)c4)C3C2=O)cc1,LTRBYGGQCAVORS-UHFFFAOYSA-N
-rxn:4:220224:226000,CC(=O)Oc1ccc(-c2ccc(C3Cn4nnc(C(=O)N5CCCCCC5)c4CO3)cc2)cc1[N+](=O)[O-],XPGQDCDRHMOSFX-UHFFFAOYSA-N
-rxn:4:220225:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc4ncnc(N5CCCC(C(=O)N6CCOCC6)C5)c4c3)c2Cl)CC1,TWJOJGYXUVJTTL-UHFFFAOYSA-N
-rxn:4:220225:226024,O=C(C1CCCN(c2ncnc3ccc(-c4cccc(OCC(F)(F)F)c4F)cc23)C1)N1CCOCC1,AEHSCUNWCSDJOC-UHFFFAOYSA-N
-rxn:4:220268:222828,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccccc4-c4cc(F)c(F)cc4S(=O)(=O)NC4CC4)c4ccccc4N23)c1C,VJALAABPASPEDJ-UHFFFAOYSA-N
-rxn:4:220407:223532,CN1CCN(Cc2nn(C)cc2-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,NVMYIFYCUNTAFF-UHFFFAOYSA-N
-rxn:4:220415:222537,c1nc(N2CCN(C3CCC3)CC2)ncc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,KFLJBYXMALAUME-UHFFFAOYSA-N
-rxn:4:220415:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1cnc(N2CCN(C3CCC3)CC2)nc1,RHBNKTHFPFUZOA-UHFFFAOYSA-N
-rxn:4:220426:224412,FC(F)(F)C(F)(c1ccc(-c2cnc(N3CCOCC3)nc2N2CCOCC2)cc1)C(F)(F)F,ABQUDJWQSAKDPL-UHFFFAOYSA-N
-rxn:4:220519:223533,CCN1CCN(c2ncnc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cc23)CC1,PCVIDUWVKQPOHY-UHFFFAOYSA-N
-rxn:4:220546:222602,CC(C)Cc1cc(-c2ccc(N3CCN(c4ncnc5c4CCC5)CC3)cc2)c(S(=O)(=O)NC(C)(C)C)s1,JXRAGJFRDOSPFO-UHFFFAOYSA-N
-rxn:4:221093:222612,O=S(=O)(c1ccc(F)c(-c2cnc(OCC3CCCN(CCn4cccn4)C3)nc2)c1)N1CCC(O)CC1,BHOJEGMXNBJAGQ-UHFFFAOYSA-N
-rxn:4:221103:222632,Cc1cc(=O)n(CC(=O)N2CCCC(COc3ncc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)cn1,ZPPUBONUYPVOGC-UHFFFAOYSA-N
-rxn:4:221111:224965,O=C(C1CC(=O)N(c2cccc(-c3cccc(OCC4CCOCC4)c3)c2)C1)N1CCN(CCn2ccnc2)CC1,YMMSGDXADOGBAK-UHFFFAOYSA-N
-rxn:4:221121:222740,CC(C)c1cc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)cc(C2CCCNC2)n1,GGUWYGNIDOPPFR-UHFFFAOYSA-N
-rxn:4:221152:223595,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)C1,SGWCPRUMVIPZEM-UHFFFAOYSA-N
-rxn:4:221154:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cnc(OCC2CCCN(c3cccnc3C#N)C2)nc1,OGWMQGBYZOSGDE-UHFFFAOYSA-N
-rxn:4:221163:223504,COc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c1,KLDBDCPFFWVFPD-UHFFFAOYSA-N
-rxn:4:221169:223670,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)cn1,GFHBFAJYARCUND-UHFFFAOYSA-N
-rxn:4:221170:223595,CCc1cnc(N2CCCC(COc3ncc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cn3)C2)nc1,QOYJCVZVZRZNCS-UHFFFAOYSA-N
-rxn:4:221181:223753,Cc1ccc(-c2cnc(OCC3CCCN(C(=O)c4cc(C)n(C)n4)C3)nc2)cc1OCCCN1CCN(C)CC1,QMGLPVGRRTYBHU-UHFFFAOYSA-N
-rxn:4:221193:222707,CN1CCN(C(=O)N2CCCC(COc3ncc(-c4ccnc(CNC(=O)OC(C)(C)C)c4F)cn3)C2)CC1,UTAWAJBSQRSHOK-UHFFFAOYSA-N
-rxn:4:221202:225556,CC(C)(C)OC(=O)c1cccc(-c2ccccc2C(=O)N2CCN(Cc3nncn3C3CCCCC3)CC2)c1,NPUGSVLSLHQSGJ-UHFFFAOYSA-N
-rxn:4:221205:223664,FC(F)(F)Oc1ccc(OCc2ccc(-c3ccc(CCN4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3)cc2)cc1,HWAHIGIZWASBGZ-UHFFFAOYSA-N
-rxn:4:221205:223771,COc1ccc2c(c1)cc(-c1ccc(CCN3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc1)n2C(=O)OC(C)(C)C,AVVSGDASKRWIGH-UHFFFAOYSA-N
-rxn:4:221208:224759,Cc1cc(N2CCN(CCc3ccc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cc3)CC2)nc(N2CCOCC2)n1,AUENUUIEUMSVFZ-UHFFFAOYSA-N
-rxn:4:221220:222619,O=C(NCc1ccc(-c2cnc(OC3CCCN(C(=O)Cn4cnc5ccccc54)C3)nc2)cc1)C1CCCCC1,GOBXGIGTBNPOLF-UHFFFAOYSA-N
-rxn:4:221221:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2cncc(C(=O)N3CCC(COc4ccc5nccn5n4)CC3)c2)c1,BFVHWKRDNNBTDU-UHFFFAOYSA-N
-rxn:4:221228:222546,O=C(c1cnc2ccccc2n1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,URPHMANAIOUFPT-UHFFFAOYSA-N
-rxn:4:221240:225723,CN(C)CCOc1ccc(-c2cnc(OCC3CCCN(Cc4c5c(nn4C)CCC5)C3)nc2)cc1Cl,LCNZOTGODQGNPW-UHFFFAOYSA-N
-rxn:4:221249:223057,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(Cl)nc(C6CCCNC6)c5)cnn4c3)cc2)CC1,XTLKGLCPRAQDPC-UHFFFAOYSA-N
-rxn:4:221269:225975,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)n(C)c1=O,UXZYOVNGGKEVIE-UHFFFAOYSA-N
-rxn:4:221294:223504,CSc1nccc(N2CC(Cn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c([N+](=O)[O-])c4)cn3)C2)n1,ZDHQVRUCORAWOO-UHFFFAOYSA-N
-rxn:4:221352:223532,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cnc(OC4CCN(c5nc(C6CC6)ns5)CC4)nc3)c2)CC1,BNSADACBJYBGBV-UHFFFAOYSA-N
-rxn:4:221353:223831,COc1ccc(-c2cncc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)c2)cc1S(=O)(=O)N1CCC(C)CC1,POJGHDMUGUSZJZ-UHFFFAOYSA-N
-rxn:4:221369:223945,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)ccc1=O,LQFKLFURWGLSGS-UHFFFAOYSA-N
-rxn:4:221373:222826,Cc1n[nH]c(C)c1C(=O)N1CCCC(Oc2ncc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cn2)C1,NKZQAROQSPDDNP-UHFFFAOYSA-N
-rxn:4:221415:222833,Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc3)CC2)n1,XZSYZMALZBAAKR-UHFFFAOYSA-N
-rxn:4:221420:223867,CC1CCN(CCCOc2cccc(-c3ccccc3C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)CC1,FXHDPOGUWFZOOW-UHFFFAOYSA-N
-rxn:4:221421:225435,O=C(c1cccc(-c2ccccc2CN2CCCCC2)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,BWMFPEXKIAHDHA-UHFFFAOYSA-N
-rxn:4:221429:222751,Cc1ccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc1NC(=O)OC(C)(C)C,IURZAKFGSVUMSQ-UHFFFAOYSA-N
-rxn:4:221440:227779,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc([N+](=O)[O-])cc(F)c4F)cc3)CC2)n1,HHNMFIUYCFMSTG-UHFFFAOYSA-N
-rxn:4:221442:224618,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccnc(CO[Si](C)(C)C(C)(C)C)c3)CC2)n1,GWDLUZCPOSFFOH-UHFFFAOYSA-N
-rxn:4:221494:222522,COc1ccc(-c2cncc(C(=O)N(C)C3CN(c4cc5c(nn4)CCC5)C3)c2)cc1S(=O)(=O)N1CCC(O)CC1,KRGVYZSPDTUVKI-UHFFFAOYSA-N
-rxn:4:221498:223945,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(OCCCN5CCOCC5)c(F)c4)c23)CC1,HLLCMPPZGGPGEX-UHFFFAOYSA-N
-rxn:4:221507:224627,CN(C)C1CN(C(=O)c2ccc(-c3cnc(OCC4CCCN(c5ncnc6c5CCC6)C4)nc3)cc2)C1,XQBYDRAJLUHPJW-UHFFFAOYSA-N
-rxn:4:221522:222546,COc1ccc2c(=O)n(CC3CCN(c4ncc(-c5ccc(OCCNC6CCCCC6)c(F)c5)cn4)CC3)cnc2c1,YCDRFAUUVHNYKR-UHFFFAOYSA-N
-rxn:4:221596:224392,COCn1nc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1N1CCN(C)CC1,QPKRUVAMCFRNRF-UHFFFAOYSA-N
-rxn:4:221612:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(c5ncc(F)cn5)CC4)nc3)cc2[N+](=O)[O-])CC1,YQHPETLTLRJOJA-UHFFFAOYSA-N
-rxn:4:221641:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)c2Cl)CC1,GDNCYHHDKYPHPU-UHFFFAOYSA-N
-rxn:4:221702:223939,Cn1c(=O)c2c(nc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCO4)n2CCN2CCOCC2)n(C)c1=O,WBPNWIXDBYACEH-UHFFFAOYSA-N
-rxn:4:221702:224670,CN1CCN(Cc2ccc(F)c(-c3nc4c(c(=O)n(C)c(=O)n4C)n3CCN3CCOCC3)c2)CC1,ZDIKGUAQSSATRD-UHFFFAOYSA-N
-rxn:4:221836:225805,CC(c1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)s1)N1CCOCC1,BREAPUHWXSSROJ-UHFFFAOYSA-N
-rxn:4:221849:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CC)c(=O)n4C)cc3)c(F)cc2C)CC1,KGAPWUJCISRQNI-UHFFFAOYSA-N
-rxn:4:221920:224551,CCOc1ccc(-c2ccccc2COc2ccc(F)cc2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,AQTZLOXHZJFQBA-UHFFFAOYSA-N
-rxn:4:221926:224706,CCOC(=O)c1cn2cc(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(OCC)cc7)C(=O)C65)n4)c3)c(C)cc2n1,LJHXNHDSVAOWMW-UHFFFAOYSA-N
-rxn:4:221937:224685,Cn1cc(C(=O)N2CCC(COc3ncc(-c4cccc(C(=O)N5CCC(=O)CC5)c4)cn3)CC2)nn1,JCMSOQWZVADPCI-UHFFFAOYSA-N
-rxn:4:221965:228446,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(F)cc(OC)c5Cl)cc4)CC3)nn2)CC1,DRQCMWJKQILZOW-UHFFFAOYSA-N
-rxn:4:221966:222540,Cc1cc(C)n(-c2cc(N3CCN(c4nc(-c5ccc(-c6cccc(C(=O)NCCN7CCCCC7)c6)cc5)cs4)CC3)ccc2[N+](=O)[O-])n1,CGFLTKUCNSLWPS-UHFFFAOYSA-N
-rxn:4:221967:222638,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3cccc(C(C)NC(=O)OC(C)(C)C)c3)cc2)c1=O,SWJCBSVXJMYUSN-UHFFFAOYSA-N
-rxn:4:221968:223687,CN(C(=O)Cc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1)C1CN(c2ccc3nncn3n2)C1,RDDPDQZUCMSUOA-UHFFFAOYSA-N
-rxn:4:221978:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)c1,MARLKIJSOPXKDE-UHFFFAOYSA-N
-rxn:4:221978:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)cc1,QYLXSZDLKJKXGW-UHFFFAOYSA-N
-rxn:4:221985:224405,Cn1cc(-c2nc3cnc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,XTQZOGVPASKGSH-HXUWFJFHSA-N
-rxn:4:221985:225882,Cn1cc(-c2nc3cnc(-c4cnc(Cl)c(C5CCOCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,QKPCTOFHAKBISA-JOCHJYFZSA-N
-rxn:4:221985:226655,Cn1cc(-c2nc3cnc(-c4cc(Cl)cnc4N4CCCC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,AISGGBBJRFVTHB-OAQYLSRUSA-N
-rxn:4:221992:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)c4nnn5c4nc(N4CCN(C(=O)c6ccco6)CC4)c4ccccc45)cc3)cc2F)CC1,ZTHCVOFIPWEHPE-UHFFFAOYSA-N
-rxn:4:222009:222748,O=C(NCC1CCCO1)c1cccc(-c2cnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)nc2)c1,SXEBHNSPVWOQET-UHFFFAOYSA-N
-rxn:4:222056:222537,CC(C)(C)c1cc(N2CCN(c3ncc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cn3)CC2)nc(C2CC2)n1,JANXZVGAMIMDIH-UHFFFAOYSA-N
-rxn:4:222061:225035,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(-c5cc(F)ccc5OC5CCCCC5)c4)CC3)nn2)c(C)c1C,NFWMSBBIFFDMAE-UHFFFAOYSA-N
-rxn:4:222062:228232,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)c(C5CC5)c4)cc3)CC2)n1,ZXXDTANJSHTUFD-UHFFFAOYSA-N
-rxn:4:222089:225155,O=C(c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc1)N1CCOCC1,SZHVZFFTKJTIPY-UHFFFAOYSA-N
-rxn:4:222097:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCC(COc3ccc4nc(C)cn4n3)CC2)nc1,ZJXZDHKZPDMEKF-UHFFFAOYSA-N
-rxn:4:222108:223954,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(OCCN7CCC(=O)CC7)c(F)c6)cc5)no4)C3C2=O)cc1F,CURQIKTZJMLKHX-UHFFFAOYSA-N
-rxn:4:222113:225170,CC1CN(C(=O)Cn2cnc3c(nnn3-c3ccc(-c4cc(F)ccc4CN4CCOCC4)cc3)c2=O)CC(C)O1,DTMJPBMNITVOON-UHFFFAOYSA-N
-rxn:4:222168:225607,CC(c1ccc(-c2cnc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nc2)s1)N1CCCCC1,RWMDCWPKECNRSR-UHFFFAOYSA-N
-rxn:4:222185:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1[nH]nc2ncnc(N3CCN(c4ccccc4OC)CC3)c12,RWJBSHLUNXIGDO-UHFFFAOYSA-N
-rxn:4:222218:222389,Cc1ncnc(N2CCN(c3ncc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3)CC2)c1C,PPUMWTYMZXJPOT-UHFFFAOYSA-N
-rxn:4:222276:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1,XAFBMXFTGNOGSZ-UHFFFAOYSA-N
-rxn:4:222279:222723,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5-c5cccc(NS(=O)(=O)N6CCOCC6)c5)CC4)ncnc32)cc1,VJSNNRSSZFMPMG-UHFFFAOYSA-N
-rxn:4:222318:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(C)cc5)CC4)c3)c3ccccc23)CC1,OQGOWLDQOMNKRR-UHFFFAOYSA-N
-rxn:4:222354:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCN(c5ncnc6cc[nH]c56)CC4)nc3)cc2[N+](=O)[O-])CC1,OQOBEQHJJJJPBW-UHFFFAOYSA-N
-rxn:4:222360:222693,COCCn1cnc2c(N3CCN(c4ncc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5)cn4)CC3)ncnc21,BFBQCYRUBGRWTH-UHFFFAOYSA-N
-rxn:4:222367:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)cc2)CC1,XAZPSCWXSKXPAI-UHFFFAOYSA-N
-rxn:4:222380:222636,CCn1cnc2c(N3CC4CN(c5ncc(-c6ccc([C@@H](C)NC(=O)OC(C)(C)C)cc6)cn5)CC4C3)ncnc21,AMVVDEAJVUGHRF-NNAHLOSHSA-N
-rxn:4:222389:194553,Cc1cc(CN2CC3CC3C2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,JRNDAJLRFQJTEJ-UHFFFAOYSA-N
-rxn:4:222389:199697,CCCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,XZYZJVGMKAHORU-UHFFFAOYSA-N
-rxn:4:222513:214204,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(CN2CC(n3c(C4CC4)nc4ccccc43)C2)o1,GSPKPJYMIGPMJE-UHFFFAOYSA-N
-rxn:4:222522:215904,COc1ccc(-c2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,YZCJDFXXBFIOIC-UHFFFAOYSA-N
-rxn:4:222523:178782,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(F)c(C(=O)C(F)(F)F)c(F)c2)c(C(F)(F)F)c1,QQQMZVYOLLCNLG-UHFFFAOYSA-N
-rxn:4:222523:189671,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(Cl)c2/C=N/S(=O)C(C)(C)C)c(C(F)(F)F)c1,NXPJMDHUHWMROH-UVHMKAGCSA-N
-rxn:4:222602:189146,CC(C)Cc1cc(-c2ccc(C(=O)N(C)C)cc2C(F)(F)F)c(S(=O)(=O)NC(C)(C)C)s1,JGSZEGSJYQOFHF-UHFFFAOYSA-N
-rxn:4:222613:207624,CCCNS(=O)(=O)c1ccc(-c2cncc3c2CCN3C(=O)C(C)(C)C)c(C(F)(F)F)c1,JZSOXTBNBPWHMV-UHFFFAOYSA-N
-rxn:4:222723:219517,CN1CCC(N2CCCC(COc3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)C1=O,KYWVHRFDOOFXLH-UHFFFAOYSA-N
-rxn:4:222790:184093,CC(C)c1ccc(CN(C(=O)c2ccc(-c3cc(Cl)cc(NC(=O)OC(C)(C)C)c3)cc2)C2CCS(=O)(=O)C2)cc1,XIUIHQKVOTYFAP-UHFFFAOYSA-N
-rxn:4:222812:176168,CC(C)[Si](c1c(F)cc(-c2cnc(Cl)c(NC(=O)OC(C)(C)C)c2)cc1F)(C(C)C)C(C)C,SRLKWKZCOBBUJZ-UHFFFAOYSA-N
-rxn:4:222851:207890,CCc1cc(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)cc(C2CCNCC2)n1,WRBSUHZBEVEAHS-UHFFFAOYSA-N
-rxn:4:222940:204683,CC(C)(C)NS(=O)(=O)c1cncc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)c1,KUTITQMEUUFBPO-UHFFFAOYSA-N
-rxn:4:222950:178381,CONS(=O)(=O)c1cc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)ccc1OC,AFFFMYKXJNUCFQ-UHFFFAOYSA-N
-rxn:4:223001:214012,Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2cc(C3CCCNC3)ccc2F)CC1,HHTMILJFZOFSHO-UHFFFAOYSA-N
-rxn:4:223060:218589,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(Cl)nc(C5CCNCC5)c4)cn3)C2)cc1,YMMKCUWNFVWPME-UHFFFAOYSA-N
-rxn:4:223080:187632,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)cc2)cc1,TUHGWLGQZMHBQN-UHFFFAOYSA-N
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-rxn:5:178313:226189:226176,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCC3)c(F)c2)c(-c2ccncc2C2CCCCC2)c1,QVUYPQBLJFYTBL-UHFFFAOYSA-N
-rxn:5:178313:226969:225674,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3c(c2)CCCC3=O)c(-c2cnc(C3CCCCC3)cc2F)c1,ZUCQIDSXYKRAAG-UHFFFAOYSA-N
-rxn:5:178314:225498:226067,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCCCC3)ccc2F)ccc1-c1ccc(C2=CCCCC2)cc1,HBAIXMYZZMXWTR-UHFFFAOYSA-N
-rxn:5:178314:225498:226155,CC(=O)c1cc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)cc2O[Si](C)(C)C(C)(C)C)cc(C2CC2)c1,DQALDWDWAWYSGM-UHFFFAOYSA-N
-rxn:5:178314:226061:225499,CC(C)c1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)c(O[Si](C)(C)C(C)(C)C)c2)cc(C2CC2)c1,QAPYWOWDBAOODL-UHFFFAOYSA-N
-rxn:5:178314:226061:226155,CC(=O)c1cc(-c2ccc(-c3cc(C(C)C)cc(C4CC4)c3)cc2O[Si](C)(C)C(C)(C)C)cc(C2CC2)c1,APBAWDSTHGGARI-UHFFFAOYSA-N
-rxn:5:178314:226067:226150,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCCC3)cc2)ccc1-c1cccc(SC2CCCC2)c1,XYRCITJMGYAFCL-UHFFFAOYSA-N
-rxn:5:178314:226179:225407,CC(C)(C)[Si](C)(C)Oc1cc(-c2cncc(C3CCCCC3)c2)ccc1-c1ccc(C2CCCCCC2)cc1,LJWWDLGMLRYLCD-UHFFFAOYSA-N
-rxn:5:178315:225407:226064,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2ccc(C3CCCCC3)cc2)c1,QHHBUTMUFIOJQJ-UHFFFAOYSA-N
-rxn:5:178315:225498:227066,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C(=O)C3CC3)c2)cc(-c2cc(C3CCCCC3)ccc2F)c1,HVZPWMPSCLFBCS-UHFFFAOYSA-N
-rxn:5:178315:225633:227043,Cc1cc(OC(C)C)ccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(N3CCCCCC3)nc2)c1,VOGVVZFLPVEOCB-UHFFFAOYSA-N
-rxn:5:178466:222405:223002,CC(C)OC(=O)c1sc2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2c1-c1ccc(C2CCNCC2)cc1F,DIKADFFLMMIVMN-UHFFFAOYSA-N
-rxn:5:178466:222405:223065,CC(C)OC(=O)c1sc2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2c1-c1ccc(N2CCNCC2)cc1F,RSAHYGIUVNMCFM-UHFFFAOYSA-N
-rxn:5:178466:223006:225833,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1ccnc(N2CCCCC2)c1F,WPSSOOCTZOAOMI-UHFFFAOYSA-N
-rxn:5:178466:226662:223065,CC(C)OC(=O)c1sc2cc(-c3ccc(N4CCN(C)CC4)s3)ccc2c1-c1ccc(N2CCNCC2)cc1F,DIJGCTGZJKSPBQ-UHFFFAOYSA-N
-rxn:5:178467:223011:225613,CCOC(=O)C1=Cc2cc(-c3ccnc(OC4CCCCC4)c3)cc(-c3cc4[nH]ncc4cc3OC(C)C)c2OC1,KNNGBQDOTRHEEB-UHFFFAOYSA-N
-rxn:5:178467:223062:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,PCEPRETXQJUKPC-UHFFFAOYSA-N
-rxn:5:178467:223135:227710,CCOC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cccnc3C3CCCNC3)c2OC1,MELGTKFJDUARHC-UHFFFAOYSA-N
-rxn:5:178467:223136:227701,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)ncc3F)cc(-c3ccncc3C3CCCNC3)c2OC1,ORKXQZIUYUBKTC-UHFFFAOYSA-N
-rxn:5:178467:223138:227302,CCOC(=O)C1=Cc2cc(-c3cnc(OC(C)C)c(C)c3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,QHTWKOZOSHATIQ-UHFFFAOYSA-N
-rxn:5:178467:223202:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,AGZLHXOECZAVHY-UHFFFAOYSA-N
-rxn:5:178467:223378:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cnc4c(c3)NCCO4)c2OC1,UBGAXGFAZTXNKK-UHFFFAOYSA-N
-rxn:5:178467:225833:227960,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCC3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,WUJCLCLXWGVBAD-UHFFFAOYSA-N
-rxn:5:178467:225834:228694,CCOC(=O)C1=Cc2cc(-c3cc(N(C)CC)cs3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,UUXFEFDQUGFRRU-UHFFFAOYSA-N
-rxn:5:178467:225980:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,MWAMZTRBRWYRAY-UHFFFAOYSA-N
-rxn:5:178467:225980:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,GANKUYYLPFGXJO-UHFFFAOYSA-N
-rxn:5:178467:226324:227710,CCOC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3cccnc3OC3CCCC3)c2OC1,PPVPSLRPLBCKKU-UHFFFAOYSA-N
-rxn:5:178467:226331:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3ccc(C4(C#N)CC4)cc3F)c2OC1,RRAFVYUWBDYCEC-UHFFFAOYSA-N
-rxn:5:178467:226338:227710,CCOC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccnc(OC4CCCC4)c3)c2OC1,FFEXLCIIZBMKKY-UHFFFAOYSA-N
-rxn:5:178467:226366:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3ccnc(N4CCCCC4)c3)c2OC1,BIVZTTAHDJIVLV-UHFFFAOYSA-N
-rxn:5:178467:226644:227702,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)cnc3F)cc(-c3cncc(N4CCOCC4)c3)c2OC1,ZLPDGAWSLFTEQG-UHFFFAOYSA-N
-rxn:5:178467:226665:227297,CCOC(=O)C1=Cc2cc(-c3cc(CN(C)C)ccc3F)cc(-c3cnc(C4CCCOC4)nc3)c2OC1,LRVDJYOLLDDXLL-UHFFFAOYSA-N
-rxn:5:178467:227278:223058,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,QYYRWHMXMRAETJ-UHFFFAOYSA-N
-rxn:5:178467:227303:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3cccc(CN(C)C)c3F)c2OC1,JWBFQAFRFMUTHH-UHFFFAOYSA-N
-rxn:5:178467:227379:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cccnc3N3CCCC3)c2OC1,BSZSOVYKROALTN-UHFFFAOYSA-N
-rxn:5:178467:227491:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3cnc(OC4CCC4)nc3)c2OC1,GCECKCZVRFQOQU-UHFFFAOYSA-N
-rxn:5:178467:227531:223140,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCCNC4)c3)cc(-c3cc(F)cc(C(=O)OC)c3)c2OC1,DGIUEIFADOCKBV-UHFFFAOYSA-N
-rxn:5:178467:227710:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,NZRSYIFLLGBAFV-UHFFFAOYSA-N
-rxn:5:178467:227710:223135,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCNC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,KUOMPAKWBOZYLF-UHFFFAOYSA-N
-rxn:5:178467:227710:223136,CCOC(=O)C1=Cc2cc(-c3ccncc3C3CCCNC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,FDCNZYPLTDXICP-UHFFFAOYSA-N
-rxn:5:178467:227710:226374,CCOC(=O)C1=Cc2cc(-c3cncnc3C3CCCCC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,ZFOVXQYMNKSJNH-UHFFFAOYSA-N
-rxn:5:178467:227803:227613,CCOC(=O)C1=Cc2cc(-c3cnn(C4CCOCC4)c3)cc(-c3ccnn3S(=O)(=O)N(C)C)c2OC1,LBCRVPHDJSCVFP-UHFFFAOYSA-N
-rxn:5:178467:228974:225798,CCOC(=O)C1=Cc2cc(-c3ccc(OC4CCOCC4)nc3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,YUYZBVGLHYZMCS-UHFFFAOYSA-N
-rxn:5:178556:223002:225601,N#CC1(c2ccc(-c3ccc(-c4ccc(C5CCNCC5)cc4F)c(COc4ccc5c(c4)C(=O)CCC5)c3)c(F)c2)CCC1,WGQSSVZUDXRQTR-UHFFFAOYSA-N
-rxn:5:179417:225831:225805,CCS(=O)(=O)c1ccc(-c2cnc(N3CCOCC3)c(C)c2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,NKNRRJDVJDDTSG-UHFFFAOYSA-N
-rxn:5:179629:225454:223064,COc1ccc(-c2ccc(C3=CCN(C)CC3)cc2)c(S(C)(=O)=O)c1-c1ccc(C2CCNCC2)nc1F,QPQUZGSBKGPRCQ-UHFFFAOYSA-N
-rxn:5:180377:223061:225871,CC(C)c1cc(-c2cccc(N3C(=O)C=CC3=O)c2)cc(C(C)C)c1-c1cc(C2CCNCC2)ncc1F,KMAIFAMUSVWBSW-UHFFFAOYSA-N
-rxn:5:180421:225832:226971,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccc2c(c1)CCCOC2,KJBSDXRPAXEMPA-UHFFFAOYSA-N
-rxn:5:180422:227656:225978,Fc1nc(N2CCOCC2)ccc1-c1cc(CC2CCCCC2)ccc1-c1cc(N2CCOCC2)cs1,TWQGPEPLHWZUNM-UHFFFAOYSA-N
-rxn:5:180602:225849:225982,COC(=O)C1Cc2cc(-c3cnc(N4CCOCC4)cc3F)cc(-c3cnc(N4CCCCC4)cc3F)c2O1,XHDQDHDECMRNHP-UHFFFAOYSA-N
-rxn:5:180662:222986:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,BSTSLEJCKFUGKE-UHFFFAOYSA-N
-rxn:5:180662:223062:227770,COC(=O)C1=Cc2cc(-c3cnc(OC)c([N+](=O)[O-])c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,LOVSJUUDECGPKQ-UHFFFAOYSA-N
-rxn:5:180662:226148:223148,COC(=O)C1=Cc2cc(-c3ccccc3C3CNCCO3)cc(-c3cccc(C#C[Si](C)(C)C)c3)c2OC1,MWOIBNHSFKPAKY-UHFFFAOYSA-N
-rxn:5:180662:226654:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3csc(N4CCC(C)CC4)n3)c2OC1,KVHFDPKEHQMIOI-UHFFFAOYSA-N
-rxn:5:180662:227277:223063,COC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3ccc(N(C)C)c(C#N)c3)c2OC1,AZFRSXMVLSPRTQ-UHFFFAOYSA-N
-rxn:5:181625:225832:222998,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1C1OCCO1,DMIWKYPGIJXYNG-UHFFFAOYSA-N
-rxn:5:181627:225832:225407,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)cc1-c1ccc(C2CCCCCC2)cc1,NRWRRQYAAOSUGE-UHFFFAOYSA-N
-rxn:5:181905:225436:225683,Cc1ccc(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1-c1ccc(CN2CCCCC2)cc1,BDWRDCZQRHVQPS-UHFFFAOYSA-N
-rxn:5:181905:225466:226686,Cc1ccc(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1-c1ccc(N2CCCCC2C)cc1,APRBDZOBFDZLHA-UHFFFAOYSA-N
-rxn:5:181906:222987:225598,Cc1ccc(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1-c1cccc(CN2CCSCC2)c1,TXPRRWSEXUXARV-UHFFFAOYSA-N
-rxn:5:181906:225514:225633,Cc1ccc(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1-c1ccc(N2CCCCCC2)nc1,JDOZKOFCWOBFCW-UHFFFAOYSA-N
-rxn:5:181906:226686:226686,Cc1ccc(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1-c1c(C)cnn1C1CCCCO1,GOFBOBZDHDJVSR-UHFFFAOYSA-N
-rxn:5:181907:225407:226686,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2c(C)cnn2C2CCCCO2)c(C2OCCO2)c1,WPDJKECYCPBVKV-UHFFFAOYSA-N
-rxn:5:181907:225633:222987,Cc1cc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1,HZEOISQRPCFXII-UHFFFAOYSA-N
-rxn:5:181908:225436:225683,Cc1cc(-c2ccc(CN3CCCCC3)cc2)c(-c2ccc(C3CCCOC3)nc2C)cc1C1OCCO1,MBBOBHINPFEPEZ-UHFFFAOYSA-N
-rxn:5:181908:225466:226686,Cc1cc(-c2ccc(N3CCCCC3C)cc2)c(-c2c(C)cnn2C2CCCCO2)cc1C1OCCO1,ZUGSRLVZOLVEHR-UHFFFAOYSA-N
-rxn:5:181908:225472:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cccc(N3CCCCC3C)c2)cc(C2CCNCC2)c1,VJXNQYCIDACZEK-UHFFFAOYSA-N
-rxn:5:181908:225514:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cccc3c2OCC2(CC2)CO3)cc(C2CCCNC2)c1,HKKJTPCXHIVSMZ-UHFFFAOYSA-N
-rxn:5:182009:225514:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc3c2OCC2(CC2)CO3)c(C2CCOCC2)c1,DNTTXKXOGHDYOP-UHFFFAOYSA-N
-rxn:5:182012:225832:225407,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2CCCOC2)c1,JOYKNBYBQPNFED-UHFFFAOYSA-N
-rxn:5:183229:225811:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1cc(-c2ccc(C3(C(F)(F)F)CC3)cc2)cc2c1SCCC2(C)C,GMIMCFGFXJGZIE-UHFFFAOYSA-N
-rxn:5:188459:223141:223058,COC(=O)c1cc([N+](=O)[O-])c(-c2cncc(C3CCNCC3)c2)cc1-c1cc(F)nc(C2CCCNC2)c1,RCDXIMSMUVYEBE-UHFFFAOYSA-N
-rxn:5:188787:227390:223000,O=[N+]([O-])c1cc(-c2ccnn2C2CCCCC2)c(-c2ccc(C3CCCNC3)c(F)c2)cc1OC1CC1,UWOHIOYEFQDLLH-UHFFFAOYSA-N
-rxn:5:188873:225674:223064,CON(C)C(=O)c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1-c1cnc(C2CCCCC2)cc1F,NXEXCIVETBNWLQ-UHFFFAOYSA-N
-rxn:5:188874:222956:223006,CON(C)C(=O)c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1ccc(C)cc1C1CCCNC1,BYNYNUZGNVJXET-UHFFFAOYSA-N
-rxn:5:188874:225684:222998,CON(C)C(=O)c1ccc(-c2cc(F)cc(C3CCCNC3)c2)cc1-c1ccc(C2CCOCC2)nc1C,GTNWBMTWFGYPKP-UHFFFAOYSA-N
-rxn:5:188877:222980:223002,CON(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)cc2F)c(-c2ccc(CN3CCNCC3)cc2)c1,MCRASGVOJKOWCU-UHFFFAOYSA-N
-rxn:5:188930:223146:223135,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(C3CNCCO3)c2)cc1-c1cccnc1C1CCCNC1,SNDKSCJUEJNMAD-UHFFFAOYSA-N
-rxn:5:188930:225600:222405,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2OC2CCCCC2)cc1-c1cccc(C2NC(=O)NC2=O)c1,JUXDNHBFKVTZME-UHFFFAOYSA-N
-rxn:5:188930:226330:227379,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCCC3)s2)cc1-c1cccnc1N1CCCC1,DOLDBTHFSIANBM-UHFFFAOYSA-N
-rxn:5:188931:227091:223063,COC(=O)c1cc(-c2cncc(C3CCCC3)c2)cc(S(N)(=O)=O)c1-c1cc(F)nc(C2CCNCC2)c1,LNCRFZUMVMMXCL-UHFFFAOYSA-N
-rxn:5:188932:223138:223139,COC(=O)c1cc(-c2ccc(C3CCNCC3)nc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)c1,ODNKVFFGQZUCED-UHFFFAOYSA-N
-rxn:5:188932:223139:226181,COC(=O)c1cc(-c2ccc(C3=CCCCC3)nc2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2)c1,JXOHXEPGKNCRLW-UHFFFAOYSA-N
-rxn:5:189207:226741:223065,N#Cc1ccc(C(F)(F)F)cc1-c1ccc(-c2ccc(N3CCNCC3)cc2F)c(C(=O)ON2C(=O)CCC2=O)c1,RSZJVAXXJARLGR-UHFFFAOYSA-N
-rxn:5:189208:226441:228306,CC(C)Sc1ncc(-c2cc(-c3ccc(N4CCCC4)cc3F)ccc2C(=O)ON2C(=O)CCC2=O)cn1,GXFLYSCJLQQFCM-UHFFFAOYSA-N
-rxn:5:189322:226412:223064,CC(C)(C)OC(=O)c1cc(-c2cc(F)cc(N3CCCC3)c2)cnc1-c1ccc(C2CCNCC2)nc1F,PECSOYJKYMCKEY-UHFFFAOYSA-N
-rxn:5:189449:227043:223064,COC1CN(C(=O)c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2-c2ccc(OC(C)C)cc2C)C1,SYJDWJITKPFRTH-UHFFFAOYSA-N
-rxn:5:189667:222413:225803,Cc1cc(S(N)(=O)=O)ccc1-c1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2ccnc(OC3CCOCC3)c2)c1,HLMLOZWQRMVKHC-GLQYLJCDSA-N
-rxn:5:189668:226148:226191,C[Si](C)(C)C#Cc1cccc(-c2cc(-c3cc(C4CCCC4)ccc3F)ccc2CC(=O)N2CCCC2)c1,KPGHIZKDEMKXIU-UHFFFAOYSA-N
-rxn:5:189671:226064:226067,CC(C)(C)S(=O)/N=C/c1c(-c2ccc(C3=CCCCC3)cc2)cccc1-c1ccc(C2CCCCC2)cc1,HIUFDOPPQRODJM-YRRMYEEHSA-N
-rxn:5:189676:227052:225435,CC(C)(C)Sc1ccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2ccccc2CN2CCCCC2)cc1,JUCKUIODRAKPCF-UHFFFAOYSA-N
-rxn:5:189718:223088:223006,O=[N+]([O-])c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccnc3[nH]c(C(F)(F)F)cc23)cc1OC1CCOCC1,UDSDJCJTVACGCX-UHFFFAOYSA-N
-rxn:5:189718:228305:225594,CC(C)Oc1cnc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2ccc(F)cc2CN2CCCC2)cn1,UOHUBDZFCFKJBP-UHFFFAOYSA-N
-rxn:5:189952:222417:225803,COc1c(-c2ccnc(OC3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,FPPJUBAAQPFSOC-UHFFFAOYSA-N
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-rxn:5:190001:225932:226159,CN(C)c1ccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cccc(N3CCCCC3)c2)cc1C(F)(F)F,OKGYJVZORCXJRZ-UHFFFAOYSA-N
-rxn:5:190001:227045:226069,CC(C)(C)Sc1cccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2cccc(C3CCCCC3)c2)c1,AMFNLGSQALJYGF-UHFFFAOYSA-N
-rxn:5:190127:222957:229015,COC1CCN(C(=O)c2cc(-c3cc(C)cc(C4CCCNC4)c3)ccc2-c2ccsc2C(C)C)CC1,WYQJWODLMNHMAW-UHFFFAOYSA-N
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-rxn:5:190196:225498:225886,CN(Cc1ccc(-c2cc(C3CCCCC3)ccc2F)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1)C1CCOCC1,IXCKBFBPVHXSLG-UHFFFAOYSA-N
-rxn:5:190199:222417:225881,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(C3CCOCC3)nc2F)cc1CN(C)C1CCOCC1,ACVFSBODGBEOIJ-UHFFFAOYSA-N
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-rxn:5:190264:223294:227710,CC1CCN(C(=O)Cc2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(-c3csc(N4CCNCC4)n3)c2)CC1,MVXUZJLINMOYOU-UHFFFAOYSA-N
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-rxn:5:190335:227810:225802,CCC(C)c1ccc(-c2cc(C(=O)N3CCCCC3C)cc(-c3ccc(OC4CCCC4)nc3F)c2OC)cc1,IHMLDYVRLDVNNF-UHFFFAOYSA-N
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-rxn:5:190336:227070:223340,CCOc1cc(C)c(C)cc1-c1cc(C(=O)N2CCCC(C)C2)cc(-c2ccc3c(c2)NCCO3)c1OC,HNDRRKROAWNFNL-UHFFFAOYSA-N
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-rxn:5:190418:226662:228219,Cc1cc(-c2cnc(C(C)C)cc2F)ccc1N1C(=O)CC(Cc2ccc(-c3ccc(N4CCN(C)CC4)s3)cc2)C1=O,JHQRTHVRTDCZPP-UHFFFAOYSA-N
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-rxn:5:190418:228227:226662,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1N1C(=O)CC(Cc2ccc(-c3ccc(C(C)C)nc3F)cc2)C1=O,IIVITMBWCMFMOS-UHFFFAOYSA-N
-rxn:5:190484:223312:226645,O=C(c1cccc(-c2ccc(C3CNC3)cc2)c1)N1CCC(c2ccccc2-c2ccnc(N3CCOCC3)c2)S(=O)(=O)CC1,XQAYZEAJWFWWQS-UHFFFAOYSA-N
-rxn:5:190484:225639:223149,CCOc1cc2cn[nH]c2cc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3cccnc3N3CCC(C)CC3)c2)CCS1(=O)=O,ILBXOLKHHVZSBG-UHFFFAOYSA-N
-rxn:5:190484:226662:223312,CN1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc(C6CNC6)cc5)S(=O)(=O)CC4)c3)s2)CC1,QXUBZYPLVPILAI-UHFFFAOYSA-N
-rxn:5:190484:227029:225677,CC(C)(C#N)c1ccccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C4CCCCC4)nc3F)S(=O)(=O)CC2)c1,UNFMYDUGUFIOCX-UHFFFAOYSA-N
-rxn:5:190484:227045:228721,CC(C)(C)Sc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccnn4C(C)(C)C)S(=O)(=O)CC3)c2)c1,SQCUHTVGOHKJNL-UHFFFAOYSA-N
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-rxn:5:190484:227971:226331,CC(C)(C)c1ccncc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C4(C#N)CC4)cc3F)S(=O)(=O)CC2)c1,KSURJKJFMJTBGJ-UHFFFAOYSA-N
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-rxn:5:190742:223004:222988,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)c(F)c3)c2c1-c1cc(C)nc(C2CCNCC2)c1,QYGDLJALISBMLP-UHFFFAOYSA-N
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-rxn:5:190742:225592:225874,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)ccc3CN3CCCC3)c2c1-c1ccc(F)c(N2CCOCC2)c1,DDVQCNANUSVCAW-UHFFFAOYSA-N
-rxn:5:190742:225593:225591,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)cc(CN4CCCC4)c3)c2c1-c1cc(CN2CCCC2)ccc1F,OFIBUHYOMCOEFZ-UHFFFAOYSA-N
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-rxn:5:190742:225666:225592,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)cc(N4CCCCC4)c3)c2c1-c1cc(F)ccc1CN1CCCC1,JSSIOVMCGOIIJY-UHFFFAOYSA-N
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-rxn:5:190742:225784:225868,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(N2CCOCC2)c(F)c1,GVHPHPCUZGNGGD-UHFFFAOYSA-N
-rxn:5:190742:225833:225637,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1ccccc1N1CCN(C)CC1,BVQUIDMRSJTEIL-UHFFFAOYSA-N
-rxn:5:190742:225834:225637,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccccc1N1CCN(C)CC1,GRWNSINZHAZOCL-UHFFFAOYSA-N
-rxn:5:190742:225849:225637,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCCCC4)cc3F)c2c1-c1ccccc1N1CCN(C)CC1,HWROXNTYFUQOCE-UHFFFAOYSA-N
-rxn:5:190742:225868:225666,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)c(F)c3)c2c1-c1cc(F)cc(N2CCCCC2)c1,DASBABARMDCVOL-UHFFFAOYSA-N
-rxn:5:190742:225976:225598,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cccc(CN2CCSCC2)c1,MJTRMJVKLBKFCD-UHFFFAOYSA-N
-rxn:5:190742:226661:225666,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCN(C)CC4)cs3)c2c1-c1cc(F)cc(N2CCCCC2)c1,BXWWSOWHFCONMI-UHFFFAOYSA-N
-rxn:5:190742:226662:225666,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1cc(F)cc(N2CCCCC2)c1,LJONZYNXOLEHAP-UHFFFAOYSA-N
-rxn:5:190743:223061:225976,CCOC(=O)c1cnc2c(C)c(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccnc(N2CCOCC2)c1F,YZEILSHZFOIRNV-UHFFFAOYSA-N
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-rxn:5:190743:223065:225632,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1cccc(N2CCN(C)CC2)c1,NPIUDBOQYVVJCS-UHFFFAOYSA-N
-rxn:5:190743:223065:225637,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCNCC4)cc3F)ccc2c1-c1ccccc1N1CCN(C)CC1,BVMVANDQLDFECX-UHFFFAOYSA-N
-rxn:5:190743:225833:225632,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cccc(N2CCN(C)CC2)c1,WWHROWGTFNKCDC-UHFFFAOYSA-N
-rxn:5:190743:225834:225632,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCCCC4)ncc3F)ccc2c1-c1cccc(N2CCN(C)CC2)c1,XMYGWICVLSLRQQ-UHFFFAOYSA-N
-rxn:5:190743:225849:225637,CCOC(=O)c1cnc2c(C)c(-c3cnc(N4CCCCC4)cc3F)ccc2c1-c1ccccc1N1CCN(C)CC1,UOEQDYIMQMIHPV-UHFFFAOYSA-N
-rxn:5:190744:223061:225454,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1ccc(C2=CCN(C)CC2)cc1,JTHUCBXVVVMFKQ-UHFFFAOYSA-N
-rxn:5:190744:223065:225631,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCN(C)CC2)cc1,BWZWSKKJVZRHCU-UHFFFAOYSA-N
-rxn:5:190744:223065:225637,CCOC(=O)c1cnc2c(-c3ccc(N4CCNCC4)cc3F)c(C)ccc2c1-c1ccccc1N1CCN(C)CC1,REMUWYSRLLUESB-UHFFFAOYSA-N
-rxn:5:190744:225834:225632,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)c(C)ccc2c1-c1cccc(N2CCN(C)CC2)c1,QDCSEDFGSSTFDJ-UHFFFAOYSA-N
-rxn:5:190744:225849:225632,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1cccc(N2CCN(C)CC2)c1,NASUKWNMAAKLHJ-UHFFFAOYSA-N
-rxn:5:190744:225849:225833,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,PYXXQXYOQVZYQW-UHFFFAOYSA-N
-rxn:5:190797:225924:226761,CSc1ccc(-c2cc(-c3ccc(S(=O)(=O)N(C)C)cc3C)cc3c2ccn3C(=O)OC(C)(C)C)c(C(F)(F)F)c1,ONJKTWVGTWUECH-UHFFFAOYSA-N
-rxn:5:190832:225639:223002,CCOC(=O)c1cnc2cc(C)c(-c3cccnc3N3CCC(C)CC3)c(C)c2c1-c1ccc(C2CCNCC2)cc1F,BFPXRGMDBFLNSP-UHFFFAOYSA-N
-rxn:5:190832:226364:223002,CCOC(=O)c1cnc2cc(C)c(-c3ccc(N4CCCCC4)nc3)c(C)c2c1-c1ccc(C2CCNCC2)cc1F,TXLPFWDEQCENGJ-UHFFFAOYSA-N
-rxn:5:190833:227894:225815,CC(C)(C)OC(=O)N1Cc2c(-c3ccc(C4CC4)cc3C(F)(F)F)ccc(-c3cccc(/C=C/C#N)c3)c2C1=O,IRMCZAWIRRRVOR-FNORWQNLSA-N
-rxn:5:190859:227047:226907,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CCC3)c1)c2-c1cccc2c1CCC21CC1,OSELBRXWLBRYQN-UHFFFAOYSA-N
-rxn:5:190859:227052:226191,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(SC(C)(C)C)cc1)c2-c1cc(C2CCCC2)ccc1F,NBQBBYLFSAPCOV-UHFFFAOYSA-N
-rxn:5:190859:227807:226150,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc3c1CCCC3)c2-c1cccc(SC2CCCC2)c1,JUKWXQFHGQNEPO-UHFFFAOYSA-N
-rxn:5:190998:225818:227041,CCOc1cc(C)c(-c2ccc(N3Cc4cc(-c5ccc(C(F)(F)F)cc5C5CC5)ccc4OCC3=O)c(C(=O)OC)c2)cc1C,UDLPQPIFLPHWDY-UHFFFAOYSA-N
-rxn:5:190998:228551:223056,CCCc1ncccc1-c1ccc2c(c1)CN(c1ccc(-c3ccc(N4CCC(O)CC4)nc3)cc1C(=O)OC)C(=O)CO2,IBDCQASVXPFPLZ-UHFFFAOYSA-N
-rxn:5:190998:228712:225833,COC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1N1Cc2cc(-c3ccnn3C3CCC3)ccc2OCC1=O,QRYDHMDLNKEZSE-UHFFFAOYSA-N
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-rxn:5:193158:225985:223002,O=S1(=O)CCCN1c1cccc(-c2cccc(CN3CCCC3)c2-c2ccc(C3CCNCC3)cc2F)c1,SGOOUSXMESHZHD-UHFFFAOYSA-N
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-rxn:5:196791:225976:225655,CC1CCN(c2cncc(-c3c(-c4ccnc(N5CCOCC5)c4F)cccc3N3CCOCC3=O)c2)CC1,FJIJAFVTKUBCIU-UHFFFAOYSA-N
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-rxn:5:197876:225602:227056,COc1cccc(C2CC2)c1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,WVYGOGZTMVFANE-UHFFFAOYSA-N
-rxn:5:197876:225602:227092,Cc1nc(C2CCC2)ccc1-c1cc2c(cc1-c1cc(C3(C#N)CCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,JEVQXKRFDBUZSB-UHFFFAOYSA-N
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-rxn:5:197876:225602:228179,COCc1cc(F)cc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BCZLRIPWNVJFFO-UHFFFAOYSA-N
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-rxn:5:197876:225639:228790,CC1CCN(c2ncccc2-c2cc3c(cc2-c2cccc(C(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)CC1,UQWVUJYKMYVEQP-UHFFFAOYSA-N
-rxn:5:197876:225641:227996,CC(=O)c1ccc(-c2cc3c(cc2-c2ccnc(N4CCCC(C)C4)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,FQBPTBVTPQDKFE-UHFFFAOYSA-N
-rxn:5:197876:225679:226768,CSc1ccc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,RPTIWRXNABRBTB-UHFFFAOYSA-N
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-rxn:5:197876:225679:228586,CC(C)c1ncccc1-c1cc2c(cc1-c1ccc(N3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,RHFNSKFUIBOJNW-UHFFFAOYSA-N
-rxn:5:197876:225811:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,ZUXMNQJPUBQIGV-UHFFFAOYSA-N
-rxn:5:197876:225815:227402,CC(C)(C)c1cc(-c2cc3c(cc2-c2ccc(C4CC4)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,ZDLQDULFVKCEBR-UHFFFAOYSA-N
-rxn:5:197876:225819:228621,CSc1cc(C)ccc1-c1cc2c(cc1-c1cc(C(F)(F)F)ccc1C1CC1)S(=O)(=O)N(C(C)(C)C)C2=O,DMWYEQPJPPYBAD-UHFFFAOYSA-N
-rxn:5:197876:225820:226137,CC(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1c(C3CC3)cccc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,GPTGBBMKUXDKEJ-UHFFFAOYSA-N
-rxn:5:197876:225880:227985,CC(C)c1cc(-c2cc3c(cc2-c2cc(C4CCOCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,DSGKPIYJHSRQEC-UHFFFAOYSA-N
-rxn:5:197876:225936:227814,CC(C)c1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(CC3CC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,JOJAVEIZDOIFOB-UHFFFAOYSA-N
-rxn:5:197876:226058:227825,CC(C)c1cccc(C(C)C)c1-c1cc2c(cc1-c1cccc(C3CCC3)c1)C(=O)N(C(C)(C)C)S2(=O)=O,BBIATLZIFOPRTE-UHFFFAOYSA-N
-rxn:5:197876:226067:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(C3=CCCCC3)cc1)S(=O)(=O)N(C(C)(C)C)C2=O,SJIKTYPIHCHZPA-UHFFFAOYSA-N
-rxn:5:197876:226085:227999,CC(C)c1ccc(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,UQOIQZTULDUQMO-UHFFFAOYSA-N
-rxn:5:197876:226085:228428,COc1cc(F)c(F)c(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CLSSPOQYICIPKI-UHFFFAOYSA-N
-rxn:5:197876:226085:228431,CSc1c(F)cc(F)cc1-c1cc2c(cc1-c1ccc3c(c1)CCC(C)(C)O3)S(=O)(=O)N(C(C)(C)C)C2=O,DYQLXPDVXDUPOS-UHFFFAOYSA-N
-rxn:5:197876:226191:228117,CC(C)Oc1cncc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WGEQKPCZWYWVNW-UHFFFAOYSA-N
-rxn:5:197876:226320:227025,CCc1ncc(C2CC2)cc1-c1cc2c(cc1-c1cc(C3(C#N)CC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,RSBWCSWMFYWZKO-UHFFFAOYSA-N
-rxn:5:197876:226320:227835,Cc1ccc(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C1CC1,APVVIKUUCFUVJL-UHFFFAOYSA-N
-rxn:5:197876:226325:225437,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2cccc(CN4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,VHGZHYQZXHHXDG-UHFFFAOYSA-N
-rxn:5:197876:226326:227840,Cc1cccc(-c2cc3c(cc2-c2cccc(C4(C#N)CC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1C1CC1,HPNOADWFIZGGBD-UHFFFAOYSA-N
-rxn:5:197876:226437:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc2c(cc1-c1cc(C3CCCC3)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,SMIRGUXVAFLUPB-UHFFFAOYSA-N
-rxn:5:197876:226438:227124,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cnc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,YSMUZNZJVFQODV-UHFFFAOYSA-N
-rxn:5:197876:226438:227559,Cc1ccc(-c2cc3c(cc2-c2cnc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1OC(F)F,ZVODQYFDSVHANT-UHFFFAOYSA-N
-rxn:5:197876:226438:227831,CCc1c(C)cc(-c2cc3c(cc2-c2cnc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,OICKKNHXEMAHOV-UHFFFAOYSA-N
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-rxn:5:197876:226589:227951,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc([N+](C)(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,XWKKLMBQUGQTPZ-UHFFFAOYSA-N
-rxn:5:197876:226589:228119,CC(C)Sc1ccc(-c2cc3c(cc2-c2cc(C(F)F)ncc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,HESPWOBNRRNUCV-UHFFFAOYSA-N
-rxn:5:197876:226591:227087,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2ccc(OC(C)C)c(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,TXPVBSVKKBGYRI-UHFFFAOYSA-N
-rxn:5:197876:226594:227812,CC(C)Cc1cccc(-c2cc3c(cc2-c2c(F)cc(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,WDYCYDHPKYTSDI-UHFFFAOYSA-N
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-rxn:5:197876:226710:227989,CC#Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(F)c([Si](C)(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PSJAATLQZNXKTA-UHFFFAOYSA-N
-rxn:5:197876:226753:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(OC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,LDRGOIQHKMLFME-UHFFFAOYSA-N
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-rxn:5:197876:226762:227771,CSc1cc(-c2cc3c(cc2-c2ccc(OC(F)(F)F)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,IDGZSQJNRCXCPU-UHFFFAOYSA-N
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-rxn:5:197876:226907:226328,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2cccc4c2CCC42CC2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,UIAGBECMROVOHK-UHFFFAOYSA-N
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-rxn:5:197876:226924:226768,CSc1ccc(-c2cc3c(cc2-c2cc(C)cc(C4CC4)c2C)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,CUZIMVVVZRNMCH-UHFFFAOYSA-N
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-rxn:5:197876:226926:227297,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cc(CN(C)C)ccc1F)C(=O)N(C(C)(C)C)S2(=O)=O,GWXUHNZWMDXHQA-UHFFFAOYSA-N
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-rxn:5:197876:227782:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LKFOVPMRLSEVTG-UHFFFAOYSA-N
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-rxn:5:197876:227830:226164,CC1(c2ccc(-c3cc4c(cc3-c3ccc(N5CCCCC5)cc3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,FODIHUBEKUEWRA-UHFFFAOYSA-N
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-rxn:4:174073:223597,CC(C)OCc1ccc(OC(F)(F)F)cc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,POJNTWQFLCHNOT-UHFFFAOYSA-N
-rxn:4:174079:223893,CCN1CCN(CCOc2cccc(-c3cc(OCC4CC4)c(F)cc3C(=O)OC)c2)CC1,XSEMPFTWNPZOQD-UHFFFAOYSA-N
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-rxn:4:174227:223559,CC(=O)OCc1ccccc1Oc1ccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)cc1F,JDOMWTZKZUDPIH-UHFFFAOYSA-N
-rxn:4:174307:223888,COc1ccc(CC(=O)OC(C)(C)C)cc1-c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2,CUMMKHKNKNGNHH-UHFFFAOYSA-N
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-rxn:4:174428:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(SC(C)(C)C(=O)OC(C)(C)C)cc3)cnc21,NRICSQNREKFBDU-UHFFFAOYSA-N
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-rxn:4:174468:224689,CC(C)(C)[Si](C)(C)OCCc1ccc(Cl)cc1-c1ccc(C(=O)N2CCCCC2)cc1Cl,RENWARSNDYXMAZ-UHFFFAOYSA-N
-rxn:4:174497:223559,COc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)c2)cc1,UGNZXLVEHVEVSQ-UHFFFAOYSA-N
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-rxn:4:175428:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(S(C)(=O)=O)ccc1OCC1CC1,BGFICCIMJMRBGP-UHFFFAOYSA-N
-rxn:4:175488:223482,O=S(=O)(c1cc(-c2ccc(C(F)(F)F)cc2-c2cccc(OC(F)(F)F)c2)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,CPCOJKCOBGKJMB-UHFFFAOYSA-N
-rxn:4:175493:223542,COC(=O)C(C)(C)Cc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1,AKGPDUXWLXWVBM-UHFFFAOYSA-N
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-rxn:4:176049:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(C(C)(F)F)c(OCC2CCOCC2)c1,PJXWZFRITUUGIF-UHFFFAOYSA-N
-rxn:4:176131:224081,CC(C)(C)Sc1cc(SC(C)(C)C)cc(-c2ccccc2CCO[Si](C)(C)C(C)(C)C)c1,FQJFPJWCDCUHDQ-UHFFFAOYSA-N
-rxn:4:176317:222556,COc1ccccc1NC(=O)c1cccc(-c2ccc(OCC(F)(F)F)c(C34CC5CC(CC(C5)C3)C4)c2)c1,BKGPFDKLQLOODQ-UHFFFAOYSA-N
-rxn:4:176322:225985,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2cccc(N3CCCS3(=O)=O)c2)C(C)(C)CC1(CC)CC,YZBSNUDNGBKPGI-UHFFFAOYSA-N
-rxn:4:176322:229006,CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(SC)cc2)C(C)(C)CC1(CC)CC,MBJXNSMZVFQNHM-UHFFFAOYSA-N
-rxn:4:176495:223559,COc1cc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)ccc1OC(F)(F)F,ZQLQXSZTPAQHKC-UHFFFAOYSA-N
-rxn:4:176536:223503,CC(=O)OCc1ccc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1,BVSRUNVGTHWGBH-UHFFFAOYSA-N
-rxn:4:176639:223491,CCOC(=O)c1c(F)ccc(Cl)c1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,PTRPEHCNBMIRCB-UHFFFAOYSA-N
-rxn:4:176919:223646,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(F)c(F)c3COS(C)(=O)=O)cc2)C1,LSFFLUIOUMQEBY-UHFFFAOYSA-N
-rxn:4:177733:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(Cl)cc(C(=O)OC(C)(C)C)c1,QPEKUAJBWASTMT-UHFFFAOYSA-N
-rxn:4:177755:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cc(Cl)c(F)c(C(=O)OC(C)(C)C)c3)c2)CC1,YIMYGVYXQVILAF-UHFFFAOYSA-N
-rxn:4:177794:224258,CC1CCCCN1C(=O)c1ccc(-c2c(F)c(F)c(C(=O)OC(C)(C)C)c(F)c2F)c(Cl)c1,QOUDOXYUSZFYBA-UHFFFAOYSA-N
-rxn:4:177794:224616,CC(C)(C)OC(=O)c1c(F)c(F)c(-c2ccccc2OCCN2CCOCC2)c(F)c1F,FPAKRBUMSDPHFQ-UHFFFAOYSA-N
-rxn:4:177973:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(C(=O)CC(C)(C)C)c(F)c3)cc2C)CC1,GFTOWXALMXWWEI-UHFFFAOYSA-N
-rxn:4:178192:222426,COC(=O)c1cccc(-c2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)c(C)c2)c1,HKRWFCFQSMQEEU-UHFFFAOYSA-N
-rxn:4:178384:224901,COc1cc(-c2ccccc2)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,ZHBYBLKUMVCDTP-UHFFFAOYSA-N
-rxn:4:178384:228249,COc1c(C)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1Cl,SJXJOPFHAWRUQI-UHFFFAOYSA-N
-rxn:4:178384:228403,COc1c(F)ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1F,VIFLNPRIMWICQM-UHFFFAOYSA-N
-rxn:4:178428:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4cc(OS(=O)(=O)C(F)(F)F)ccc4c3)c(F)cn2)CC1,UZCFYLNCQDYKOQ-UHFFFAOYSA-N
-rxn:4:178597:225607,CC(c1ccc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)s1)N1CCCCC1,KWUXTIMOOIANEC-UHFFFAOYSA-N
-rxn:4:178597:227906,CCC(C)c1ncccc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,BPBJXTJNZYCAII-UHFFFAOYSA-N
-rxn:4:178597:228595,CCc1ncc(C)cc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,UEFCTMBMJRBEFJ-UHFFFAOYSA-N
-rxn:4:178659:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cccc(OC(F)(F)F)c2Cl)CC1,QXSHPHHFEXDAMO-UHFFFAOYSA-N
-rxn:4:178870:223530,COC(=O)c1cc(F)cc(Cl)c1-c1cc(F)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1,ZTSNBZOAIOOPBU-UHFFFAOYSA-N
-rxn:4:178924:223497,CC(c1ccc(-c2c(C(F)F)cccc2C(F)F)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,FKKGPVLJAXYGAH-UHFFFAOYSA-N
-rxn:4:178926:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C(F)F)cc(C(F)F)c1,WMBZRJBSURCNOX-UHFFFAOYSA-N
-rxn:4:179297:223597,CC(=O)c1cc(C(F)(F)F)cc(Cl)c1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1,OPHXEBOWIOCHPS-UHFFFAOYSA-N
-rxn:4:179643:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C4CC4(F)F)cc(C(F)(F)F)c3)cc2Cl)CC1,FSEQAHNLSVIOFD-UHFFFAOYSA-N
-rxn:4:179737:223480,COc1ccc(-c2ccoc2-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1,MANDXVDXNNAOFN-UHFFFAOYSA-N
-rxn:4:180331:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C#C[Si](C)(C)C)cc3C)c(F)cc2C)CC1,DPNIMXVEWLOSGO-UHFFFAOYSA-N
-rxn:4:181765:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2C2CC(F)(F)C2(F)F)CC1,DPIXRDRVMLGUIS-UHFFFAOYSA-N
-rxn:4:182261:223597,COc1ccc2c(c1-c1ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c1)CCCO2,DXKPHTPUXQQAPT-UHFFFAOYSA-N
-rxn:4:182352:223559,COc1cc2c(cc1-c1ccc3c(c1)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)CCC(=O)C2(C)C,OLFKHWMOVKFQLD-UHFFFAOYSA-N
-rxn:4:182372:224584,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cccc(C(=O)N4CCC(C)CC4)c3)cc1C2=O,DHXLKKYGGQFPSM-XBTDCMMSSA-N
-rxn:4:182376:224426,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4cc(C5CCCCC5)cc(C5CC5)c4)cc3C2=O)C[C@@H]1C,HYZOPGHDWDQYTN-OJONFXSYSA-N
-rxn:4:182943:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)C(F)(F)CC4)cc2)CC1,UINCYMCDRCMCSA-UHFFFAOYSA-N
-rxn:4:183218:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3c(c2)C(F)C(C)(C)S3(=O)=O)CC1,KIBTZTMPRSYPQM-UHFFFAOYSA-N
-rxn:4:183254:224308,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc3c(c2)C(=O)CC2(CCC2)S3(=O)=O)cc(F)c1F,PJAWVYHGAQTCSZ-UHFFFAOYSA-N
-rxn:4:183273:223169,c1cc2c(cc1-c1cnc(C3CCNCC3)nc1)OCCOCCOCCOCCOCCOCCO2,CWZWVBLBLLUEGG-UHFFFAOYSA-N
-rxn:4:183273:223509,CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)OCCOCCOCCOCCOCCOCCO5)c3)cc21,MMMALLXXKTYVIS-UHFFFAOYSA-N
-rxn:4:183274:229307,Cc1oncc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,ZVJZSPOQOAKLJH-UHFFFAOYSA-N
-rxn:4:183482:222583,CCOC(=O)C(=O)Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1[N+](=O)[O-],HUPQVYVHOPDEDJ-UHFFFAOYSA-N
-rxn:4:183492:223537,CCOC(=O)Cc1cc(C#N)c(C(F)F)cc1-c1cc2cc(OC(F)(F)F)ccc2n1C(=O)OC(C)(C)C,OYWUEBKTWKXHDZ-UHFFFAOYSA-N
-rxn:4:183502:222797,CCOC(=O)Cc1c(C#N)ccc(-c2cc(C)ccc2S(=O)(=O)NC(C)(C)C)c1C(F)F,FZBQVVJWYFDTFR-UHFFFAOYSA-N
-rxn:4:183520:222709,CCOC(=O)Cc1c(-c2cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c2)cc(C#N)cc1C(F)(F)F,HSODBSDYWXYVJP-UHFFFAOYSA-N
-rxn:4:183549:223947,CCOC(=O)Cc1cc(OC)cc(C#N)c1-c1ccc(N(CC)C(=O)OC(C)(C)C)cc1F,RRIIEACEDQKIDD-UHFFFAOYSA-N
-rxn:4:183566:224176,CCOC(=O)Cc1ccc(-c2ccc(OCCSC3CCOCC3)cc2)c(OC)c1C#N,TZIVAVNWVYZXON-UHFFFAOYSA-N
-rxn:4:183586:225906,COC(=O)C(C(=O)OC)c1c([N+](=O)[O-])ccc(F)c1-c1cc(F)cc(C(=O)N(C)OC)c1,MICWNQUGQFYRJM-UHFFFAOYSA-N
-rxn:4:183632:224420,CCN(CC)C(=O)c1cc(OC(F)F)cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1,UEYKQCPIPVQHGL-UHFFFAOYSA-N
-rxn:4:183672:225546,CCN(CC)S(=O)(=O)c1cc(-c2c(OC)cccc2OCC(C)C)ccc1OC(F)(F)F,GTOFFSPHDVCIKV-UHFFFAOYSA-N
-rxn:4:183684:222732,CCN(CC)C(=O)CS(=O)(=O)c1ccccc1-c1ccc(C(=O)NC2CCCCC2)cc1,VSPSBKJKQOZSKO-UHFFFAOYSA-N
-rxn:4:183790:225267,CCCOc1ccc(-c2cc(F)ccc2CN(CC)C(=O)OC(C)(C)C)c(C(F)(F)F)c1,IMVBIZUUCCNMCL-UHFFFAOYSA-N
-rxn:4:183808:227233,COc1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCC(F)(F)CC2)ccc1CC#N,KWZUWLKFPNQINK-UHFFFAOYSA-N
-rxn:4:183814:224845,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1,GCNYHDLOSKPCJR-UHFFFAOYSA-N
-rxn:4:183820:222782,Cc1cc(-c2ccc(OCC(C)(C)C(=O)OC(C)(C)C)nc2)cnc1NC(=O)OC(C)(C)C,HBWPOMJEJBOHBO-UHFFFAOYSA-N
-rxn:4:183822:223605,CCCCN(C)S(=O)(=O)c1cc(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c(C)cc1OC,LHSGYTAUYQRJGM-UHFFFAOYSA-N
-rxn:4:183837:226508,COC(=O)C1CCN(C(=O)COc2ccc(-c3ccc(OCC4CC4)nc3F)cc2)CC1,DEWYCSBFOOTRFD-UHFFFAOYSA-N
-rxn:4:183844:224326,COC(=O)CN(c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1,ALBGIXBEDUAQRZ-UHFFFAOYSA-N
-rxn:4:183885:225906,CON(C)C(=O)c1cc(F)cc(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)c1,YAPMSNQFAYXYJQ-UHFFFAOYSA-N
-rxn:4:183914:225050,CC1CCN(c2cc(F)cc(-c3cc(OC(F)(F)F)ccc3OCCN3CCCC(C)C3)c2)CC1,IOZYYXMXZZNWRT-UHFFFAOYSA-N
-rxn:4:183928:224160,CC(c1ccc(-c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1)N(C(=O)OC(C)(C)C)C1CC1,OWMPQTQXQJDUTM-UHFFFAOYSA-N
-rxn:4:183928:224488,CC(C)N(C(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)cc1)C(C)C,HKUXKFDHQVTFFK-UHFFFAOYSA-N
-rxn:4:183928:224845,CC(c1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1)N(C(=O)OC(C)(C)C)C1CC1,NAOZXRHFTHWHQR-UHFFFAOYSA-N
-rxn:4:183930:223093,Cc1ccc(CN(C(=O)OC(C)(C)C)C2CC2)c(-c2cncc(NS(=O)(=O)C(C)C)c2)c1,LXSBHQUSAXYNAB-UHFFFAOYSA-N
-rxn:4:183942:225301,COc1ccc(-c2cc(OC3CCOCC3)ncc2F)c(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1,XZCZQTWTTCMUPG-UHFFFAOYSA-N
-rxn:4:183945:222900,CC(C)(C)OC(=O)NCc1cc(-c2cccc(CC3C(=O)CCN3C(=O)OCc3ccccc3)c2)cs1,DIMJWECAALTMNT-UHFFFAOYSA-N
-rxn:4:183961:226547,COC(=O)c1cc(-c2ccc(OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)ccc1OC,CUJGSOHLJBRRGD-IBGZPJMESA-N
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-rxn:4:187217:223916,COC1CCN(C(=O)Cc2ccc(F)cc2-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)CC1,WFZXYJYKBPQFMC-UHFFFAOYSA-N
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-rxn:4:187292:224285,CN1CCC(CCOc2ccc(-c3ccc(OCCN4CCOCC4)cc3F)cc2)CC1,JMETWPDZBUMJQQ-UHFFFAOYSA-N
-rxn:4:187295:222637,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccc(C(C)NC(=O)OC(C)(C)C)cc2)c1,ARYATPWTSHSSHM-UHFFFAOYSA-N
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-rxn:4:187372:223599,CCCC1CCCCN1C(=O)c1cccc(-c2cc3cc(C(F)(F)F)ccc3n2C(=O)OC(C)(C)C)c1F,VRWOXCYQODHHPD-UHFFFAOYSA-N
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-rxn:4:187389:222927,Cc1cc(CC(=O)N2CCCC(C(F)(F)F)C2)ccc1-c1cnc(N2CCCCC2O)nc1C,ZTUCOLXFALUENJ-UHFFFAOYSA-N
-rxn:4:187399:223787,CC1CCN(CCCc2ccccc2-c2ccc(OCCCN3CCN(C)CC3)c(F)c2)CC1,KYNAPGQHTYLQIQ-UHFFFAOYSA-N
-rxn:4:187409:224702,Cc1c(-c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)cc(F)c(OC2CCCC2)c1F,WGZAZTRDBXAYHJ-UHFFFAOYSA-N
-rxn:4:187411:224756,CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cc(F)ccc2C(=O)N2CCOCC2)cc1,FVUOUNXSQOENNU-UHFFFAOYSA-N
-rxn:4:187474:222647,Cc1cc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c(C)cc1NC(=O)OC(C)(C)C,YHVKVBOTDSPIQB-UHFFFAOYSA-N
-rxn:4:187478:224312,CC(C)Oc1cccc(-c2ccc(F)c(C(=O)N3CCN(C)CC3)c2)c1CN1CCCCC1,UCJHBFHBHQHAIX-UHFFFAOYSA-N
-rxn:4:187483:223077,CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)c(OC)c1,JKOMUTBPJBABIP-UHFFFAOYSA-N
-rxn:4:187503:224502,CN1CCCCC1COc1cccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)c1,VWCKDNKOKXNOIY-UHFFFAOYSA-N
-rxn:4:187505:225726,CCOC(=O)c1ccc(-c2ccc(C3CN(C(=O)OC(C)(C)C)CCO3)c(Cl)c2)cc1OC,LAUVCDLWYQXIAH-UHFFFAOYSA-N
-rxn:4:187507:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(C3CN(C(=O)OC(C)(C)C)CCO3)ccc2F)c1,AVEHSFKJVGHYQT-UHFFFAOYSA-N
-rxn:4:187561:227705,COc1cc(C(F)F)ncc1-c1ccc(Cl)c(C(=O)N2CCC(S(=O)(=O)C(C)(C)C)C2)c1,ZSGHHMVHQXHVMV-UHFFFAOYSA-N
-rxn:4:187579:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)co2)cc1,AGOVAKFAPONHLH-UHFFFAOYSA-N
-rxn:4:187587:225171,CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cc(F)cc(CN4CCOCC4)c3)cc2Cl)CC1,IRNGWJSKHRANPE-UHFFFAOYSA-N
-rxn:4:187603:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C(=O)c3ccccc3CN3CCCCC3)c2)c(F)c(C(F)(F)F)c1,ONIVMEZLKSWMDM-UHFFFAOYSA-N
-rxn:4:187605:222582,O=C(NCCN1CCOCC1)c1cccc(-c2ccc(C(=O)c3ccc(CN4CCCCC4)cc3)cc2F)c1,HRIYCDJFAWNGIE-UHFFFAOYSA-N
-rxn:4:187627:223175,CCC1CCCCN1S(=O)(=O)c1cc(-c2cccc(NS(=O)(=O)CC)c2)c(C)cc1OC,MTOCHGWHUJLUOG-UHFFFAOYSA-N
-rxn:4:187650:224575,COc1ccc(-c2ccc(N3CCC(C)CC3)cc2C#N)c(C(=O)N2CCSC(c3ccccc3Cl)CC2)c1,YNOOHMTULKOPAX-UHFFFAOYSA-N
-rxn:4:187671:226026,CN(C)S(=O)(=O)c1ccc(-c2cc(CN3CCC(C(F)(F)F)CC3)cc(C(C)(C)C)c2)cc1F,ALLHWPPVENMMHI-UHFFFAOYSA-N
-rxn:4:187678:224497,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCCCC(c5ccc(OC)cc5)C4)cc3)cc2)CC1,OYEGNYSILQGJKL-UHFFFAOYSA-N
-rxn:4:187682:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)c2)c1,IJCHKULDJVYBBJ-UHFFFAOYSA-N
-rxn:4:187682:225928,Cc1ccc(-c2cccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)c2)cc1S(=O)(=O)N(C)C,GECKNKJDCIDLRG-UHFFFAOYSA-N
-rxn:4:187686:224405,O=C(c1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)c1)c1ccccc1CN1CCC2(CC1)OCCO2,ZPAWRUOKKMOSOD-UHFFFAOYSA-N
-rxn:4:187688:226025,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2cnc(OC3CCOC3)nc2Cl)c(F)c1,STWWOVFATYKVJZ-UHFFFAOYSA-N
-rxn:4:187689:223812,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1F,BKNRXEWMVACVBD-UHFFFAOYSA-N
-rxn:4:187693:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)c4ccccc4CN4CCC5(CC4)OCCO5)c(F)c3)cc2F)CC1,FZOHQRVCRWCPHI-UHFFFAOYSA-N
-rxn:4:187726:223687,CCOC(=O)Cc1c[nH]c2c(F)ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c12,FHUXUSBQLXRPMQ-UHFFFAOYSA-N
-rxn:4:187779:223886,COCCCN1CCOc2ccc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc21,KKWZYDAZNCCSHH-UHFFFAOYSA-N
-rxn:4:187811:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc4c(C(F)F)cn(C(=O)OC(C)(C)C)c4c3)cnc21,WWQPTTQYXNVXAW-UHFFFAOYSA-N
-rxn:4:187847:225566,CC1(COc2ccc(-c3cc4c(cc3C(F)F)N(C(=O)OC(C)(C)C)CC4)cc2)COC1,JNGBJDSDJCYJGY-UHFFFAOYSA-N
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-rxn:4:187969:222519,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)cccc21,RVCMQHBXFNDCDO-UHFFFAOYSA-N
-rxn:4:187973:222882,CC(C)(C)NC(=O)c1ccc(F)cc1-c1ccccc1C(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,OWPSBEUSZSTNSR-UHFFFAOYSA-N
-rxn:4:188006:224161,CC(C)(C)OC(=O)N1Cc2ccc(-c3cc(C#N)ccc3OCC34CC5CC(CC(C5)C3)C4)cc2C1,UTSZLWIFDGGPSN-UHFFFAOYSA-N
-rxn:4:188021:224078,CSc1ccc(C2c3c(oc4ccc(-c5cccc6c5ccn6[Si](C)(C)C(C)(C)C)cc4c3=O)C(=O)N2CC2CCCO2)cc1,QXGDAYLDJJEKOB-UHFFFAOYSA-N
-rxn:4:188581:223491,COc1cc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)c(OC)cc1C#N,DTIAVJSOBWTLCX-UHFFFAOYSA-N
-rxn:4:188662:223493,Cc1cc(OC(F)F)c(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)c([N+](=O)[O-])c1,MFGSAJUAMMRHRB-UHFFFAOYSA-N
-rxn:4:188683:222614,NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2C(F)(F)F)cc1OC(F)(F)F,FHIUKEBWVLQQOO-UHFFFAOYSA-N
-rxn:4:188986:223573,CCOc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1S(N)(=O)=O,PCFKITOUAKOYHE-UHFFFAOYSA-N
-rxn:4:189384:222634,O=C(c1cc(-c2ccc(OCCNC3CCCC3)c(F)c2)cc(C(F)(F)F)c1)N1CCC1,MVAMKMLGZKZHNU-UHFFFAOYSA-N
-rxn:4:189578:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(OC(F)(F)F)cc(N4CCCC4)c3)cc2)CC1,JSFSIIGUZQSNLY-HZCBDIJESA-N
-rxn:4:189766:222886,N#Cc1cc(N2CCNCC2)ccc1-c1ccc(C(=O)N2CCC(F)(F)C2)cc1C(F)(F)F,USGMPFAHVVWWGH-UHFFFAOYSA-N
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-rxn:4:189886:225108,CCN(CC)C(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2C(=O)N2CCOCC2)c(F)c1,XVVOBWYAEJMTKO-UHFFFAOYSA-N
-rxn:4:189918:224128,CN(C(=O)c1ccc(-c2ccc([N+](=O)[O-])c(OC3CCCCC3)c2)cc1)C1CCCCC1,DBBWFOXKLSIBDI-UHFFFAOYSA-N
-rxn:4:190017:222826,COc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(S(=O)(=O)N2CCNCC2)c1,HBRPYEKFICCAFJ-UHFFFAOYSA-N
-rxn:4:190031:223532,Cc1ccccc1N(C)C(=O)c1cccc(-c2cc(F)cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,WDWCVCSKUXLTHI-UHFFFAOYSA-N
-rxn:4:190077:223605,O=C(c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1F)N1CCCC(C(F)(F)F)C1,AKHYZJXUUSDBSK-UHFFFAOYSA-N
-rxn:4:190129:224362,CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2ccc(Cl)c(CCN3CCC(F)(F)CC3)c2)c1,SVVLOEDUDXKHFW-UHFFFAOYSA-N
-rxn:4:190166:224646,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)ccc1OC1CCOCC1,OUQHPFKFEVUKLH-UHFFFAOYSA-N
-rxn:4:190175:224420,Cc1cc2c(cc1-c1cc(S(=O)(=O)N3CCCCC3C(F)(F)F)c(F)cc1F)C(C)(C)CCC2(C)C,NRYGEGSQGAOPPU-UHFFFAOYSA-N
-rxn:4:190230:222838,CC1CCN(c2cc(OC(F)(F)F)cc(-c3ccc(CNC(=O)C(C)(C)C)cc3)c2)CC1,RRYXJHAMOUMJGV-UHFFFAOYSA-N
-rxn:4:190297:224125,COc1ccccc1C=C1SC(=S)N(c2ccc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)cc2)C1=O,NVIIYXZIQYPYOB-UHFFFAOYSA-N
-rxn:4:190303:223814,CN(Cc1cccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)c1)C1CCCCC1,CWQPQRYXBWMTDJ-UHFFFAOYSA-N
-rxn:4:190327:224773,Cc1cc(-c2cc(S(C)(=O)=O)ccc2CN2CCCCC2)ccc1S(=O)(=O)N1CCCC1,IFEXFVLINIIJKS-UHFFFAOYSA-N
-rxn:4:190330:224488,CC(C)N(C(=O)c1ccc(-c2ccc(C3CCCN3S(=O)(=O)C(C)C)cc2)cc1)C(C)C,FVDOFNAAEYOWMA-UHFFFAOYSA-N
-rxn:4:190347:224834,Cc1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2cn(S(=O)(=O)N(C)C)nc2C(F)(F)F)c1,MKDPOHYVRYVETO-UHFFFAOYSA-N
-rxn:4:190395:223891,CC(C)C(=O)C1CCCN(c2c(F)cccc2-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)C1=O,PYZRNPTWULRQGF-UHFFFAOYSA-N
-rxn:4:190400:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccc(C4CCCN4S(=O)(=O)c4ccccc4)cc3)c2)CC1,GPDRQVBPEPDTDY-UHFFFAOYSA-N
-rxn:4:190433:225533,CCN(CC)Cc1cc(F)cc(-c2cc(C)cc(S(=O)(=O)N3CCCC(C(C)(F)F)C3)c2)c1,APDJMEICLIMLSN-UHFFFAOYSA-N
-rxn:4:190446:224970,Cc1cc(N2CCCC(C(=O)C(C)C)C2=O)ccc1-c1ccc(S[Si](C)(C)C(C)(C)C)cc1,IGHCPUFOADZFSO-UHFFFAOYSA-N
-rxn:4:190447:225183,Cc1cc(-c2ccc(OC3CCCCC3)nc2F)ccc1N1CCCC(C(=O)C(C)C)C1=O,BLYMKAXIOHRNIE-UHFFFAOYSA-N
-rxn:4:190476:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(CN3CCC(F)(F)CC3)cc(C(C)(C)C)c2)c1,VBNOBFSVAHZMLI-UHFFFAOYSA-N
-rxn:4:190484:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(C(=O)N4CCC(c5ccccc5Cl)S(=O)(=O)CC4)c3)c(F)ccc21,HATXSMHLUZYKFO-UHFFFAOYSA-N
-rxn:4:190493:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccccc1S(=O)(=O)N1CCC(c2ccccc2)S(=O)(=O)CC1,MHBHYJHTTRXXQL-UHFFFAOYSA-N
-rxn:4:190663:223755,CCOC(=O)C1CCc2nc(-c3ccc(OCCCN4CCC(C)CC4)c(F)c3)sc2C1,OYRUPBXINJSMML-UHFFFAOYSA-N
-rxn:4:190789:224401,COc1ccc(C(=O)N2CC3CC3C2)c(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)c1,FMNAKERYEGZCRR-UHFFFAOYSA-N
-rxn:4:190817:222742,COC(=O)CN1C(=O)C(C)(C)c2cc(-c3cc(C4CCNCC4)nc(C4CC4)c3)ccc21,PAKZTPPILISYLQ-UHFFFAOYSA-N
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-rxn:4:202277:226127,CCOc1ccc(C(C)C)cc1-c1ccc(CN2CCC(C(F)(F)F)CC2)c(N2CCCC2)c1,IBWFTDRFWRQLAA-UHFFFAOYSA-N
-rxn:4:202277:228316,CCOc1ncc(Cl)cc1-c1ccc(CN2CCC(C(F)(F)F)CC2)c(N2CCCC2)c1,NKHPIFQTFRDKCO-UHFFFAOYSA-N
-rxn:4:202303:225162,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1ccc(C(=O)N2CCCC2)c(Cl)c1,IZFJGMFQSLTKJY-UHFFFAOYSA-N
-rxn:4:202310:223287,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCSCC3CN3CCOCC3)cc2)cc1,YRVUIDVJZXDPTF-UHFFFAOYSA-N
-rxn:4:202328:227948,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CC4)cnc3C)CC2)CC1,DIRMUIXXUJAFBF-UHFFFAOYSA-N
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-rxn:4:202334:225107,CCN(CC)C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)c(OC)c2)c1F,WMNKVHBUHWOCCV-UHFFFAOYSA-N
-rxn:4:202518:223029,CC(C)OC(=O)Nc1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)cc1,QTEGTNIMGISMMI-IBGZPJMESA-N
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-rxn:4:202540:222584,CCOC(=O)c1cnc2c(-c3ccc(OCCCN4CCNCC4)c(F)c3)cccc2c1N1CCOCC1,JGLNUJICEVQEQD-UHFFFAOYSA-N
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-rxn:4:202595:222921,Cc1cc(S(=O)(=O)NC(C)C)ccc1-c1ccc(CN2CCN(CC(F)(F)F)CC2)c2ccccc12,XFXNGUSXYYJYMW-UHFFFAOYSA-N
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-rxn:4:202811:222741,O=C(N1CCC(Oc2ncccc2-c2cc(C3CC3)nc(C3CCCNC3)c2)CC1)C12CC3CC(CC(C3)C1)C2,HMFMVGDDTSVGSD-UHFFFAOYSA-N
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-rxn:4:203708:225542,CCCCCc1ccc(-c2ccccc2C(=O)N2CC(N3C(=O)COC3=O)C2)c(F)c1F,SSBJIKNULJJMFB-UHFFFAOYSA-N
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-rxn:4:203835:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C2=NN(S(C)(=O)=O)C(c3ccco3)C2)cc1,ZEGWBFDQVLDWHM-UHFFFAOYSA-N
-rxn:4:203877:224678,CC1CCCN(Cc2cc([N+](=O)[O-])ccc2-c2ccc(F)c(C(=O)N3CCCCC3)c2)C1,GSRWEPYVHUOSRH-UHFFFAOYSA-N
-rxn:4:203887:222538,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)CC1,ALXJVHSXTIJMLR-UHFFFAOYSA-N
-rxn:4:203892:222699,O=C(c1ccccc1-c1ccc(C2CCCNC2)c(C(F)(F)F)c1)N1CC(N2CCCC2)C1,VKDKQNBKWSYHPU-UHFFFAOYSA-N
-rxn:4:203893:224621,CS(=O)(=O)N1CCCC(Cc2cncc(-c3ccc(OCCN4CCSCC4)cc3)c2)C1,WHRBINLHPKYKMI-UHFFFAOYSA-N
-rxn:4:203899:224741,COC(=O)c1cc(-c2c(OC)cc(C3OCCO3)cc2OC)cc(N2CCN(C)CC2)c1,OZESTDXQMSACFX-UHFFFAOYSA-N
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-rxn:4:203909:222950,CCN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(OC)c(S(=O)(=O)NOC)c2)CC1,FVGTXFKYWGUFLA-UHFFFAOYSA-N
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-rxn:4:204011:222723,CN(C)C1CCN(S(=O)(=O)c2ccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cc2)CC1,DHWQSBZKCZPUCX-UHFFFAOYSA-N
-rxn:4:204018:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1ccc(CN2CCN(S(C)(=O)=O)C(C)C2)cc1,UQAZHHNFYLZDOG-UHFFFAOYSA-N
-rxn:4:204019:222514,COc1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C(C)C2)cc1S(=O)(=O)NC1CCCCC1,RPZRORMHJWAORR-UHFFFAOYSA-N
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-rxn:4:204115:222930,O=S(=O)(c1ccccc1-c1cnc(Cl)c(N2CCCC(O)C2)c1)N1CCCN(C2CCC2)CC1,GLCODEMIWWSAQD-UHFFFAOYSA-N
-rxn:4:204119:222457,O=C(Nc1cccc(-c2ccc(CN3CCC(F)(F)C3)c(N3CCCCC3)c2)c1)c1cccc(C(F)(F)F)c1,MKXYBANATXAZEK-UHFFFAOYSA-N
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-rxn:4:204168:226174,CC1CCN(Cc2ccc(-c3ccc(C4CCCCC4)nc3)cc2N2CCOCC2)CC1,XEFDQTMMZSCNPN-UHFFFAOYSA-N
-rxn:4:204169:223136,CC1CN(Cc2ccc(-c3ccncc3C3CCCNC3)cc2N2CCCCC2)CCO1,IBVNWNLNPZLELW-UHFFFAOYSA-N
-rxn:4:204169:223169,CC1CN(Cc2ccc(-c3cnc(C4CCNCC4)nc3)cc2N2CCCCC2)CCO1,DWMZBVMMCZIBJF-UHFFFAOYSA-N
-rxn:4:204169:224830,CC1CN(Cc2ccc(-c3cc(C(F)(F)F)nn3C3CCCCO3)cc2N2CCCCC2)CCO1,ABENGHYLXBZNSR-UHFFFAOYSA-N
-rxn:4:204169:226685,CC1CN(Cc2ccc(-c3cnc(C4CCOCC4)nc3)cc2N2CCCCC2)CCO1,SLVVKBVJNHBJIN-UHFFFAOYSA-N
-rxn:4:204169:227610,CC1CN(Cc2ccc(-c3ccn(C4CCCCO4)n3)cc2N2CCCCC2)CCO1,UMZCEIOJFDWMFE-UHFFFAOYSA-N
-rxn:4:204513:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cnc3c(c2)CCN3C(=O)OC(C)(C)C)cc1,IWGYGIBIJZWHHI-UHFFFAOYSA-N
-rxn:4:204576:223562,CCn1c(=NC(=O)C(C)C)sc2cc(-c3ccc(CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)ccc21,PDUBFIWTLIEKMX-UHFFFAOYSA-N
-rxn:4:204643:223891,CSC1CC2CCC(C1)N2C(=O)c1cncc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)c1,POAZENKXMBBWDX-UHFFFAOYSA-N
-rxn:4:204648:222695,Cc1ccc(-c2ccc(C(=O)N3CC(N4CCc5sccc5C4)C3)o2)cc1S(=O)(=O)NC1CCCC1,OPNFHZCCXYBBEU-UHFFFAOYSA-N
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-rxn:4:204681:223891,CC(C)(C)OC(=O)N1CC(C)(C)c2ccc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)nc21,WGBWSLJCWOTPEV-UHFFFAOYSA-N
-rxn:4:204683:225113,CC(C)(C)OOC(=O)c1cccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)c1,VDZCSDKARXSJKT-UHFFFAOYSA-N
-rxn:4:204723:227720,CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(OC(F)F)cc2Cl)cc1,OPWSNXQWVYARBB-UHFFFAOYSA-N
-rxn:4:204752:224952,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccccc1)c1ccc(-c2cccc(CCN3CCOCC3)c2)cc1,ITLCVFRPHQNATJ-UHFFFAOYSA-N
-rxn:4:204754:224991,O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(Cl)cc1)c1ccc(-c2cc(C3CC3)nc(N3CCCC3)c2)cc1,IKEDGQJBJNLKJM-UHFFFAOYSA-N
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-rxn:4:204781:223180,CONC(=O)c1ccc(-c2ccccc2C(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)cc1F,JLIBIGCPJMCWIR-UHFFFAOYSA-N
-rxn:4:204799:222808,CC(C)NC(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(F)cc43)cc2)cc([N+](=O)[O-])c1,FJMJSWCLDKBWSU-UHFFFAOYSA-N
-rxn:4:204804:227145,COc1cccc2sc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(N3C(=O)CCC3=O)C4)cc12,IQSKJZREEDEYDQ-UHFFFAOYSA-N
-rxn:4:204860:223867,COc1ccc(-c2cccc(OCCCN3CCC(C)CC3)c2)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,OXQLFNYGCNHRAY-UHFFFAOYSA-N
-rxn:4:204865:226543,CCCOc1ccc(F)c(-c2cccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccccc43)c2)c1F,HMCDNFYKYQZMGG-UHFFFAOYSA-N
-rxn:4:204884:224998,CC(C)(C)OC(=O)N1C2CCC1c1sc(-c3cccc(C(=O)N4CCCCC4)c3)nc1C2,OQGJUWXZYGIHEK-UHFFFAOYSA-N
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-rxn:4:206280:223903,O=C1CCN(C(=O)CCc2ccccc2-c2cnc(C(=O)N3CCC(F)(F)C3)c(F)c2)CC1,WKKOFCQBEAALMW-UHFFFAOYSA-N
-rxn:4:206319:223577,Cc1cc(OC(C)(C)C)nc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,LDXIXOYUGBVXBT-UHFFFAOYSA-N
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-rxn:4:206758:224723,CCN(CC)S(=O)(=O)c1ccc(-c2cc(Cl)cnc2N2CCC(C(F)(F)F)CC2)c(C)c1,HBTBERYICDIGBS-UHFFFAOYSA-N
-rxn:4:206797:222684,CS(=O)(=O)N1CCOC(c2ccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)cn2)C1,FKLYFLKZEPSQGI-UHFFFAOYSA-N
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-rxn:4:206888:222523,Cc1nn(CC2CCOCC2)c(C)c1-c1ccc(S(=O)(=O)NC(C)(C)C)cc1C(F)(F)F,JIPZGQPSVBQVPN-UHFFFAOYSA-N
-rxn:4:206946:223831,COc1ccc(-c2cccc(C3CCCN(S(C)(=O)=O)C3)n2)cc1S(=O)(=O)N1CCC(C)CC1,RVZIUECEOOQYIW-UHFFFAOYSA-N
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-rxn:4:207081:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CC5(COC(C)(C)OC5)C4)c3)c(Cl)c2)CC1,MFLJXQLFTRSQJD-UHFFFAOYSA-N
-rxn:4:207731:223557,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)ccc1-c1c(F)ccc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,DYCFFWLVAIMNJJ-UHFFFAOYSA-N
-rxn:4:207828:224421,CC(C)c1cc(C(C)C)c(-c2cccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)c2)c(C(C)C)c1,OAFNLUXVDBDAKQ-UHFFFAOYSA-N
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-rxn:4:207958:226775,CCC1CCC2(CC1)Oc1ccc(-c3cc(Cl)c(C(=O)OC)cc3F)cc1C1CC(c3ccccc3)=NN12,JLWQMDGUVPINAF-UHFFFAOYSA-N
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-rxn:4:213053:224649,O=C(C1CC(F)(F)C1)N1CCCC(COc2ncc(-c3cc(F)ccc3OCC3CCCCO3)cn2)C1,QKEFUIDVFCMFNN-UHFFFAOYSA-N
-rxn:4:213065:223953,COCCN1CCN(c2cc(F)cc(-c3cnc(OC4CCCN(C(=O)c5ccc(C(F)(F)F)cc5)C4)nc3)c2)CC1,WRBQUCTVNGTSIK-UHFFFAOYSA-N
-rxn:4:213094:226448,CC(C)(C)OC(=O)N1CCN(c2c(C#N)cccc2-c2cnc(Cl)c(C3CCCC3)c2)CC1,INPYYKDVYZVRGC-UHFFFAOYSA-N
-rxn:4:213096:225975,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccnc(N4CCOCC4)c3Cl)ccc2C#N)CC1,WBUCPWUVTGNOLF-UHFFFAOYSA-N
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-rxn:4:213132:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)C)C4)nc3)cc2F)CC1,YQDUDMRUKVYDCG-UHFFFAOYSA-N
-rxn:4:213134:225313,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCN(C)CC4)nc3F)cn2)CC1,LAEJCTASKRKYFH-UHFFFAOYSA-N
-rxn:4:213150:225532,CCN(CC)Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(F)c1,BMSANBYGZTWLCK-UHFFFAOYSA-N
-rxn:4:213175:223567,Cc1cc(OCC2CCN(C(=O)c3cncc(-c4cc5cc(OC(C)C)ccc5n4C(=O)OC(C)(C)C)c3)CC2)ccn1,CJTCIQYKXAMTOO-UHFFFAOYSA-N
-rxn:4:213180:225181,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cccc(CN5CCOCC5)c4F)cn3)CC2)c(C)o1,HWRLIIMQXKYFQG-UHFFFAOYSA-N
-rxn:4:213222:225975,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4ccnc(N5CCOCC5)c4Cl)o3)CC2)n1,VCGBXDNTPOYTTJ-UHFFFAOYSA-N
-rxn:4:213245:224126,CCN1CCN(C(C)c2cccc(-c3ccc(-c4ccc(=O)n(CC(=O)N(C)C5CCCCC5)n4)cc3)c2)CC1,RIQOONQXVKUCQK-UHFFFAOYSA-N
-rxn:4:213261:228465,COC(=O)c1sc(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)cc1Cl,JKPIILBMFGDHHR-UHFFFAOYSA-N
-rxn:4:213275:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccccc3-c3noc(C4CCN(S(=O)(=O)c5ccc(OC)cc5)CC4)n3)cc2)CC1,IUIRBMAQMDQVLP-DIVCQZSQSA-N
-rxn:4:213280:224131,CN(Cc1ccc(F)c(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCCCC3)c2)c1)c1ccccc1,JWBDNZQZIBNSCM-UHFFFAOYSA-N
-rxn:4:213281:226383,Cn1cc(-c2cccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)c2)cn1,PUXDDDFXVILTMS-UHFFFAOYSA-N
-rxn:4:213292:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(N3C(=O)CC(N4CCN(CC=Cc5ccccc5)CC4)C3=O)cc2)c1,VPDSEIKYTBFKDX-UHFFFAOYSA-N
-rxn:4:213337:224250,CCCCC(=O)N1CCN(c2nc3ccc(-c4cc(C(=O)N5CCCCC5C)ccc4F)cc3s2)CC1,FXPVLEYWLVAQFJ-UHFFFAOYSA-N
-rxn:4:213440:226113,CC(C)CC(=O)c1ccc(-c2ccc3ccn(CC(=O)N4CCN(C(=O)C5COc6ccccc6O5)CC4)c3c2)cc1,SMHOTIFHTZGIJO-UHFFFAOYSA-N
-rxn:4:213440:226507,CC(C)COc1cc(-c2ccc3ccn(CC(=O)N4CCN(C(=O)C5COc6ccccc6O5)CC4)c3c2)c(F)cn1,WFQFBXKGNLSWDB-UHFFFAOYSA-N
-rxn:4:213476:227254,CCCOc1ccc(-c2cccc([C@@H]3[C@@H](C(=O)C45CC6CC(CC(C6)C4)C5)N4c5ccccc5C=C[C@@H]4C3(C#N)C#N)c2)cc1Cl,KRSCUEUGCVWAMQ-ILZYPKOMSA-N
-rxn:4:213480:224691,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CC6(COC6)C5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FZTHUYSJEFSVJO-ZEUROAAHSA-N
-rxn:4:213480:226284,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(Cl)cc(OCC(C)C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,CHPXCPLGGVGDDI-CPPXEKLYSA-N
-rxn:4:213480:226286,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(OCC(C)C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,CCIABHLDDOIIMM-CPPXEKLYSA-N
-rxn:4:213545:224153,FC(F)(F)CN1CC(Cn2cc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)cn2)C1,DUIMWCMSYXFSRE-UHFFFAOYSA-N
-rxn:4:213604:222723,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,GOKBNWIEQPIHCW-UHFFFAOYSA-N
-rxn:4:213633:222925,FC(F)(F)CN1CCC(Cn2cc(-c3ccc(C4CNC4)c(C(F)(F)F)c3)cn2)CC1,XCHLFUNKQPDVCO-UHFFFAOYSA-N
-rxn:4:213696:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCC(Oc5cnccn5)C4)o3)c3ccccc23)CC1,UWSCRAVSRUCFDO-UHFFFAOYSA-N
-rxn:4:213764:223902,CC1CCN(CCOc2ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)cn3)cc2F)CC1,RRJWYWBUZJOHEN-UHFFFAOYSA-N
-rxn:4:213764:223945,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,BLAUFZWNHYJQHX-UHFFFAOYSA-N
-rxn:4:213784:222636,Cc1cc(F)ccc1S(=O)(=O)N1CC(Cn2cc(-c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cn2)C1,OTOOYINUQVHDSV-LJQANCHMSA-N
-rxn:4:213799:225875,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(N4CCOCC4)cc3Cl)ncn2)C1,AMOJBDBZDJREDO-UHFFFAOYSA-N
-rxn:4:213843:225852,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C4CCCCC4)nc3Cl)ccn2)C(=O)C1,DRJSBJOBKHPTHX-UHFFFAOYSA-N
-rxn:4:213878:225193,CC(C)(C)OC(=O)N1CC2(CC(n3cc(-c4ccc(C5COCCO5)c(C#N)c4)cn3)C2)C1,IBJUJPXOWMOXMJ-UHFFFAOYSA-N
-rxn:4:213883:225758,Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccncc1C(=O)OC(C)(C)C,LPIZABSQXSBOPH-UHFFFAOYSA-N
-rxn:4:213884:223945,CC(C)(C)OC(=O)N1CCC(c2ccnc(-c3ccc(OCCCN4CCOCC4)c(F)c3)n2)CC1,ROYWJQOCYDYAHT-UHFFFAOYSA-N
-rxn:4:213927:223651,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(C5CCN(C(=O)OC(C)(C)C)C5)nc4C)o3)CC2)nc(C)n1,ZSCIQOTVHRWHPA-UHFFFAOYSA-N
-rxn:4:213970:224597,Cc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cc(C5CC5)cc(N5CCOCC5)c4)cn3)CC2)cc1,KGSFITUUUROKSP-UHFFFAOYSA-N
-rxn:4:213985:222892,COc1cc(N2CCNCC2)ccc1-c1cc(C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,BVIWGJFQQWDTNJ-UHFFFAOYSA-N
-rxn:4:213996:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnccc3N3CCN(C(=O)OC(C)(C)C)CC3C)c2)CC1,SVYPUIOEZPDHJW-UHFFFAOYSA-N
-rxn:4:214033:227376,CC(C)[C@H]1COC(c2cc(-c3cncc(N4CCCC4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,YIBVVKXBXIWYAI-DNQXCXABSA-N
-rxn:4:214042:224893,CC(C)(C)c1cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)o2)cc(C(C)(C)C)n1,YWAMHTNCBZTEIA-UHFFFAOYSA-N
-rxn:4:214046:222909,C[C@@H]1CN(c2ccc(-c3ccnc(NC(=O)OC(C)(C)C)c3)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C,QTUKOYOJHLUGBP-ZWKOTPCHSA-N
-rxn:4:214051:224982,CC(C)c1sc(-c2ccc(C3CC3)c(-n3ccnc3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,SMSIGLKUAUENJM-UHFFFAOYSA-N
-rxn:4:214064:225825,CN1CCN(c2ccc(-c3ccc(CN4CCN(S(C)(=O)=O)CC4)c(N4CCOCC4)c3)cn2)CC1,WNQKOLKWBBWYGF-UHFFFAOYSA-N
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-rxn:4:214108:223541,CCOC(=O)c1nc2c([N+](=O)[O-])c(C)ccn2c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,OYIKNGWRKNMRBQ-UHFFFAOYSA-N
-rxn:4:214191:224690,CC(=O)N1CCN(C(=O)Cn2ccc3ccc(-c4ccc(CN5CCC(=O)CC5)cc4F)cc32)CC1,ZQNQIEMBTSYCOS-UHFFFAOYSA-N
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-rxn:4:214274:222541,CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4ccc(C(=O)NCCN5CCCCC5)cc4)cccc32)CC1,XGFAENNPCGZRRB-UHFFFAOYSA-N
-rxn:4:214274:224668,CCN1CCN(c2cc(F)cc(-c3cccc4c3cnn4C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1,CXADTLYAQZOHAX-UHFFFAOYSA-N
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-rxn:4:214336:226522,CCOC(=O)c1cc(-c2ccc(CN3CCC(N(C)C4=NS(=O)(=O)c5ccccc54)CC3)cc2)ccc1F,HUKQVGNNJGCAIM-UHFFFAOYSA-N
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-rxn:4:214384:225042,O=C(N1CCCC(Oc2ncc(-c3ccc(Oc4ccccc4)cc3Cl)cn2)C1)C12CC3CC(CC(C3)C1)C2,NMKGQIOGHZAZJC-UHFFFAOYSA-N
-rxn:4:214389:227187,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(CCC(C)C)c1ccc(-c3cccc4c3CN(C)C4=O)cc12,SNKOUKZFSPWYFI-UHFFFAOYSA-N
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-rxn:4:214585:223831,COc1ccc(-c2ncccc2CN2CC(S(N)(=O)=O)C2)cc1S(=O)(=O)N1CCC(C)CC1,ZDDHTCNBTNOYKF-UHFFFAOYSA-N
-rxn:4:214631:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1cnc(CC2CCN(S(C)(=O)=O)C2)cn1,NNUUDUHTBAAMQH-UHFFFAOYSA-N
-rxn:4:214703:223811,CN1CCN(Cc2cc(-c3ccc(CN4CCC5(CC4)OCCO5)c(Cl)c3)cc([N+](=O)[O-])c2)CC1,JCGXTVVXXXSUCK-UHFFFAOYSA-N
-rxn:4:214711:224065,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)cc(N4CCC(C)CC4)c3)cn2)CC1,YZMLAKLKUYWRIF-UHFFFAOYSA-N
-rxn:4:214829:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)CC1,DLKUNWXDPUZYTQ-UHFFFAOYSA-N
-rxn:4:214838:224268,CC(C)(C)OC(=O)n1ncc2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)ccc21,OGHGBAHFUICQAI-UHFFFAOYSA-N
-rxn:4:214867:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C)c1,LVQIERWGMUCGIM-UHFFFAOYSA-N
-rxn:4:214870:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(Cl)cnc3N3CCCC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,QUXQWTBVBIJELL-FTYYUIOPSA-N
-rxn:4:214870:224891,O=C(C1CCCN(c2ncc(Cl)cc2-c2cc(N3CCCC3)ccc2C2CC2)C1)N1CCOCC1,LQMQDPVJDTYWQO-UHFFFAOYSA-N
-rxn:4:214870:226255,CCCCOc1ccc(Cl)cc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,BNJYKGRNPLNZGN-UHFFFAOYSA-N
-rxn:4:214874:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1F,ADGFIDRDLLHMRS-UHFFFAOYSA-N
-rxn:4:214880:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)c1,CAHSULIFFBYNMS-UHFFFAOYSA-N
-rxn:4:214883:225748,O=C(C1CCN(c2ccncc2-c2ccncc2OCC2CCCO2)CC1)N1CCC(F)(F)CC1,VKVVQPFPMMGXOK-UHFFFAOYSA-N
-rxn:4:214907:223593,COC(=O)c1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)cc2[nH]nc(C#N)c12,ZPQATHJNVLCINF-UHFFFAOYSA-N
-rxn:4:215060:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ncn3c2CN(C(=O)OC(C)(C)C)CC3)cc1,YYYVHULNZWYZAX-UHFFFAOYSA-N
-rxn:4:215127:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4nc(N5CCN(C(=O)C6CC6)CC5)sc4c3)c2)CC1,SJPRKKREJLDNAE-UHFFFAOYSA-N
-rxn:4:215148:223079,CC(C)NS(=O)(=O)c1cccc(-c2ncc3n2CC(C)(C)N(C(=O)OC(C)(C)C)C3)c1,NYBMACNNGCZUNK-UHFFFAOYSA-N
-rxn:4:215164:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)sc(=NC(=O)CN3C(=O)c5ccccc5C3=O)n4C)c(F)c2)CC1,RQBQFPCNCWMGMX-UHFFFAOYSA-N
-rxn:4:215216:223174,CCS(=O)(=O)Nc1ccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1,PXNNRULRAVIRQL-UHFFFAOYSA-N
-rxn:4:215219:226555,CCCOc1cc(-c2ccc3ccc(N4CCOC(C(=O)N5CCOCC5)C4)nc3c2)c(F)cc1F,ZEBJQTJIANZXMO-UHFFFAOYSA-N
-rxn:4:215250:224056,CCC[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)C(=O)N(C)Cc3c(C(=O)OCC)ncn3-4)c(F)c2)CC1,STSSJEMOKVYRDA-MXVIHJGJSA-N
-rxn:4:215300:222959,Cc1cc(-c2ccc3c(c2)C2CC(c4ccco4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)ccc1C1CCNCC1,ZSCLNDQYZSPMFO-UHFFFAOYSA-N
-rxn:4:215509:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(N3CC(C#N)C3)nc2)CC1,WAGGVEUERCPYBW-UHFFFAOYSA-N
-rxn:4:215547:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)ccc3-n3cncn3)cc2Cl)CC1,XQKJYNJEHOORGR-UHFFFAOYSA-N
-rxn:4:215801:222610,CC(C)(C)OC(=O)Nc1cc(-c2cncc(N3CCCC(C(F)(F)F)C3)n2)cc([N+](=O)[O-])c1,KYBUWJPXJKGBNS-UHFFFAOYSA-N
-rxn:4:215822:223728,CCCCCC1CCC(c2ccc(-c3nc(C4CC4)cc(N4CCCC4)n3)c(F)c2)CC1,XBAUYKJZBJDCOW-UHFFFAOYSA-N
-rxn:4:215851:222538,c1c(-c2nc(C3CC3)cc(N3CCOCC3)n2)cc(C2CCNCC2)nc1C1CCCC1,RACBHUSKNDRELK-UHFFFAOYSA-N
-rxn:4:215898:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1,FAMMEPWOJZBEQF-UHFFFAOYSA-N
-rxn:4:215908:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cncc(N4CCN(S(C)(=O)=O)CC4)c3)cc2)CC1,QQFFAAWWIZKJDY-UHFFFAOYSA-N
-rxn:4:215964:223659,CC1CCCN(c2cc(-c3cnn(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)nc(C3CC3)n2)C1,UWOHSAJBSHSQAU-UHFFFAOYSA-N
-rxn:4:215985:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(N3C(=O)CC(N4CCN(C)CC4)C3=O)cc2)c1,KGWAHQTWICAKKJ-UHFFFAOYSA-N
-rxn:4:215990:223084,CN1CCC(N2CCN(c3ccc(-c4cnc(N5CCC(O)CC5)nc4)cc3)CC2)CC1,ZOSLNLFUSHXLGD-UHFFFAOYSA-N
-rxn:4:216033:223506,COC(=O)c1ccnc2c(-c3cccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)n[nH]c12,OENQGAHVWWBHGJ-UHFFFAOYSA-N
-rxn:4:218585:225098,N#Cc1ccc(CN2CCC(COc3ncc(-c4ccc(OCCN5CCCC5)nc4)cn3)CC2)c(F)c1,IIDFWDUHBWBMLO-UHFFFAOYSA-N
-rxn:4:218590:222999,N#Cc1ccccc1S(=O)(=O)N1CCCC(COc2ncc(-c3cc(Cl)cc(C4CCCNC4)c3)cn2)C1,XARJWQUJDYJDOL-UHFFFAOYSA-N
-rxn:4:218619:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccccc1CCC(=O)N1CCC(n2cc(C3CC3)nn2)C1,UOZJNBHOYDYLQJ-UHFFFAOYSA-N
-rxn:4:218643:222439,O=C(c1cncc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c1)N1CCC(COc2ccc(C3CC3)nn2)CC1,YDTZQSHSIOZFGW-UHFFFAOYSA-N
-rxn:4:218665:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)c4cccc(N(C)C)c4)C3)nc2)cc1,NCYLLMNDBIGUOM-UHFFFAOYSA-N
-rxn:4:218665:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cnc(OCC2CCCN(C(=O)c3cccc(N(C)C)c3)C2)nc1,RYGNOHDBHMRCJR-UHFFFAOYSA-N
-rxn:4:218689:224254,COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccccc4-c4ccc(F)c(C(=O)N5CCCC(C)C5)c4)CC3)[nH]n2)cc1,NEAWNQFBNQSGBT-UHFFFAOYSA-N
-rxn:4:218710:224437,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(CN(C)c5ccccc5)cc4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WJTXNCFSLKRPNS-UHFFFAOYSA-N
-rxn:4:218712:223120,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cccc(C(=O)NC5CC5)c4)c3C)CC2)c(C)c1,CHYFYSYHWJZJBG-UHFFFAOYSA-N
-rxn:4:218731:223695,COc1cccc(-n2ccn3c(SCC(=O)c4ccc(-c5cccc(S(=O)(=O)N6CCC7(CC6)OCCO7)c5)cc4)nnc3c2=O)c1,RLBFOFACGOOLLZ-UHFFFAOYSA-N
-rxn:4:218775:228205,CN(C)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)cc1Cl,MNMPRRVUIIIUOM-UHFFFAOYSA-N
-rxn:4:218824:224597,CN(CC1CN(c2ncc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cn2)C1)S(=O)(=O)C1CC1,LAKMOGLOEVNEQQ-UHFFFAOYSA-N
-rxn:4:218854:224258,COCc1cn(C2CCN(C(=O)c3cc(-c4ccc(C(=O)N5CCCCC5C)cc4Cl)ccc3Cl)C2)nn1,HEEPALICTFAYFK-UHFFFAOYSA-N
-rxn:4:218867:226145,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(OC4CCCC4)cc3)c2)no1,UNQDFUUJMHTPSA-UHFFFAOYSA-N
-rxn:4:218886:224404,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)cn2)C1,IYTXYRKFIATNSJ-UHFFFAOYSA-N
-rxn:4:218948:224280,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cn2)CC1,QSNVOHOABWLMKV-UHFFFAOYSA-N
-rxn:4:218968:224563,Cc1ccc(-c2cncc(C(=O)N3CCCC(Cc4nc(C5CC5)no4)C3)c2)c(O[Si](C)(C)C(C)(C)C)c1,MISZFJKINQFCOX-UHFFFAOYSA-N
-rxn:4:218970:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5c(C)noc5C)C4)nc3)c(Cl)c2)CC1,VLZSOQAVWXZXOT-UHFFFAOYSA-N
-rxn:4:218982:224299,O=C(c1cncc(-c2cc([N+](=O)[O-])ccc2[Se]c2ccccc2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,ZPBORAWIJRMNMW-UHFFFAOYSA-N
-rxn:4:218991:227468,CCN(CC)c1ncc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)cn1,OLCZBYQHIHVUDO-UHFFFAOYSA-N
-rxn:4:218992:223421,CNC(C)c1ccc(-c2cnn(CC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c2)s1,LKOPAEUTCZWFBU-UHFFFAOYSA-N
-rxn:4:218998:224624,CC(C)(C)COC(=O)c1ccc(Cl)cc1-c1cnc(OCC2CCCN(C(=O)N3CCOCC3)C2)nc1,RFGGSXGMSDEESZ-UHFFFAOYSA-N
-rxn:4:219107:224719,CCC(=O)C1=C(c2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C(C)C)cc2)N(C(=O)CC)n2c(C)nnc2S1,AVDRHVILRRHIHZ-UHFFFAOYSA-N
-rxn:4:219156:222582,CCOc1ccc(N2CCn3c2nn(Cc2ccc(-c4cccc(C(=O)NCCN5CCOCC5)c4)cc2)c(=O)c3=O)cc1,JTFHZEMEFNLSDI-UHFFFAOYSA-N
-rxn:4:219243:224617,CC(C)(C)OC(=O)N1CC(n2cnc(-c3ccc(OCCN4CCCC4)c(Cl)c3)n2)C1,UVKXBPZGYUZZCY-UHFFFAOYSA-N
-rxn:4:219364:222546,O=C(c1cncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1)N1CCCC(Oc2ncc(Cl)cn2)C1,VCYJONAKEPAYFX-UHFFFAOYSA-N
-rxn:4:219402:224286,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)cn2)CC1,IQSGXJNRLJQRMO-UHFFFAOYSA-N
-rxn:4:219414:222729,CCCc1cc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)cc(C2CCCNC2)n1,ZDLXATSYBZYIGY-UHFFFAOYSA-N
-rxn:4:219440:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2CN2CCN(c3nccc(C(F)(F)F)n3)CC2)c(Cl)cn1,DWTMWXQKTJNQCR-UHFFFAOYSA-N
-rxn:4:219463:222546,Cc1cc(OCC2CCN(c3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)ccn1,IYZONAYUBNEXMP-UHFFFAOYSA-N
-rxn:4:219473:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)nc1OC,ILFJNLPDZFVOMV-UHFFFAOYSA-N
-rxn:4:219490:222774,Cn1ncc(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c1-c1ccc(F)c(CN2CCC(O)CC2)c1,WVCOZCVZERYFDG-UHFFFAOYSA-N
-rxn:4:219530:224348,O=C1C(N2CCC(Oc3ncc(-c4ccc(-c5cccc(C(F)(F)F)c5)nc4)cn3)CC2)CCN1C1CC1,QZZGLQVVNRUJFQ-UHFFFAOYSA-N
-rxn:4:219540:224355,Cc1cc(N(C)C2CCN(C(=O)c3ccccc3-c3ccc(N4CCC5(CC4)OCCO5)nc3)CC2)ncn1,CPBICQFVKNVLAL-UHFFFAOYSA-N
-rxn:4:219552:224550,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(OCc2ccccc2)c(Cl)c1,LUYUCGKEUINEDJ-UHFFFAOYSA-N
-rxn:4:219552:225984,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cnc(Cl)c(N2CCOCC2)c1,FEDGTIRGCOKDFF-UHFFFAOYSA-N
-rxn:4:219560:225170,Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3-c3cc(F)ccc3CN3CCOCC3)CC2)cn1C,UJCHVZVWVUZBJL-UHFFFAOYSA-N
-rxn:4:219651:224650,COc1ccc(-c2cc(F)ccc2OCC2CCOCC2)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,OQHOYHQHNBKLBC-UHFFFAOYSA-N
-rxn:4:219651:226010,COc1ccc(-c2cc(OC(F)(F)F)ccc2OC)c(CN2N=NC3C(=O)N(c4ccc(F)cc4)C(=O)C32)c1,DVCXJGQBCXHGEY-UHFFFAOYSA-N
-rxn:4:219654:224312,CN1CCN(C(=O)c2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)ccc2F)CC1,FHTDPCAGBRDUPQ-UHFFFAOYSA-N
-rxn:4:219654:226330,CC(c1ccc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)s1)N1CCCC1,FWNUVVPLDCBAHG-UHFFFAOYSA-N
-rxn:4:219687:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)c1,QWBGGZFCCNJFPU-UHFFFAOYSA-N
-rxn:4:219688:224291,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(OCCN5CCOCC5)c(F)c4)cn3n2)CC1,KVKLGYBLBKALNO-UHFFFAOYSA-N
-rxn:4:219689:226330,CC(c1ccc(-c2cnc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn23)s1)N1CCCC1,CLSXKPKDUTVRLD-UHFFFAOYSA-N
-rxn:4:219691:225923,CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)n3ncc(-c4cnc(OC5CCCC5)nc4Cl)c3n2)C1,MKYXGNDAXSHKKM-UHFFFAOYSA-N
-rxn:4:219692:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)c3nc(Cl)ncc23)c1,VRGFFIGRNATVQP-UHFFFAOYSA-N
-rxn:4:219704:223065,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc(N5CCNCC5)cc4F)cc3n2)CC1,KBKADUMIRFIDBY-UHFFFAOYSA-N
-rxn:4:219704:224975,CCN1CCN(c2ccc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)cc2)CC1,WDUWGQLJTCEFBL-UHFFFAOYSA-N
-rxn:4:219707:224718,CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(-c4ccc(OCCN5CCOCC5)nc4)c(Cl)cc23)CC1,DIHIZBXPEVXKQS-UHFFFAOYSA-N
-rxn:4:219764:225291,CC(C)Oc1cc(C(F)(F)F)ccc1-c1c(Cl)cc2c(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(F)nc2c1F,FDEYRJFZUBTUIK-UHFFFAOYSA-N
-rxn:4:219769:227347,CC(C)Oc1ccc(-c2ccc(C3Cn4nc(C(=O)N5CCN(C(C)C)CC5)cc4CO3)cc2)c(Cl)c1,IGMPOAKTWNCOLP-UHFFFAOYSA-N
-rxn:4:219778:224244,CCn1cc(-c2nc(-c3ccc(-c4ccc(Cl)c(C(=O)N5CCC(C)CC5)c4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,CGSIAXPVNJMQQV-UHFFFAOYSA-N
-rxn:4:219853:224195,CCN1CCN(Cc2cc(-c3cnc(N4CCN(C(C)=O)CC4)c(C#N)c3)ccc2Cl)CC1,ZZYZCCMRTXWMDP-UHFFFAOYSA-N
-rxn:4:219868:223671,CCN1CCN(c2c(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cncc2[N+](=O)[O-])CC1,FPLWFQFXIFQZHC-UHFFFAOYSA-N
-rxn:4:219891:222632,CN1CCC(N2CC(Cn3cc(-c4cccc(C(=O)NCCN5CCCC5)c4)cn3)C2)C1=O,JVAWEMYBMHTFSX-UHFFFAOYSA-N
-rxn:4:219975:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)nc3)c(F)c2)CC1,UBGSDFNPUWDBEW-RSSXGHEXSA-N
-rxn:4:220041:223583,COC(=O)c1ccc2c(-c3nnn4c3CN(C(=O)OC(C)(C)C)CC4)cn(C(=O)OC(C)(C)C)c2c1,NIZKLVWVPDRILV-UHFFFAOYSA-N
-rxn:4:220069:225312,CN1CCCN(c2ncc(-c3nnc4n3CCN(C(=O)OC(C)(C)C)CC4)cn2)CC1,VCWIOJIYEJFQBL-UHFFFAOYSA-N
-rxn:4:220114:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(c5nnc6ccccn56)CC4)o3)c(F)cc2C)CC1,PUPHBGGMAUZSOY-UHFFFAOYSA-N
-rxn:4:220114:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCC(c5nnc6ccccn56)CC4)o3)ccc2C)CC1,VWZBBQJVDMLCGE-UHFFFAOYSA-N
-rxn:4:220133:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(n2nccn2)C3)c1,LTHQQKKLPUDMRV-UHFFFAOYSA-N
-rxn:4:220137:223588,Cc1cc(-c2ccc3nc(N4CCN(S(=O)(=O)C5CC5)CC4)ncc3c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,NNMMZZIRKCFVCC-UHFFFAOYSA-N
-rxn:4:220206:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cccc(-c3nnc4sc(CN5CCC6(CC5)OCCO6)cn34)c2)CC1,WQPNJQZCJWWMAP-UHFFFAOYSA-N
-rxn:4:220257:222723,Cc1nc2c3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cc3nn2c(C)c1CC(=O)N1CCOCC1,HDFCIXJSYLLKRX-UHFFFAOYSA-N
-rxn:4:220537:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)c3ccccc23)CC1,AOFMUEQAFVKMKK-UHFFFAOYSA-N
-rxn:4:221094:222439,O=C(Cn1cnc(C2CC2)cc1=O)N1CC(Cn2cc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cn2)C1,MKQQKKLGDZQVRR-UHFFFAOYSA-N
-rxn:4:221105:225801,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccnc(OC5CCCC5)c4Cl)cn3)C2)nc1C,XHOVDJNGHTYVMJ-UHFFFAOYSA-N
-rxn:4:221105:226511,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(Cl)cnc4OCC4CC4)cn3)C2)nc1C,VDIJBSPKHHQFTQ-UHFFFAOYSA-N
-rxn:4:221153:222584,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)c1,DKFHBCFNTXCVFF-UHFFFAOYSA-N
-rxn:4:221168:224305,Cn1cc(CN2CCCC(COc3ncc(-c4ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c4F)cn3)C2)cn1,LICTZSCEJLMQRO-UHFFFAOYSA-N
-rxn:4:221169:223571,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(OCCN5C(=O)c6ccccc6C5=O)cc4)cn3)C2)cn1,DSDVCYXTLRSOSA-UHFFFAOYSA-N
-rxn:4:221169:224881,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(CN5CCCCCC5)c4)cn3)C2)cn1,VCCADHGOUSLDKT-UHFFFAOYSA-N
-rxn:4:221173:223670,Cn1nc(C(=O)N2CCCC(COc3ncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)ccc1=O,RYQMUTNGQMSGFP-UHFFFAOYSA-N
-rxn:4:221179:222632,O=C(NCCN1CCCC1)c1cccc(-c2cnc(OCC3CCCN(c4ccnc(C5CC5)n4)C3)nc2)c1,GRYHZEHBIDSKNC-UHFFFAOYSA-N
-rxn:4:221179:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(OCC4CCCN(c5ccnc(C6CC6)n5)C4)nc3)c2Cl)CC1,SYILKQKFKNCRJO-UHFFFAOYSA-N
-rxn:4:221181:224759,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)C2)nn1C,WEJMKQZXLAFAEY-UHFFFAOYSA-N
-rxn:4:221183:224771,Cc1ccc(-c2cnc(OCC3CCCN(Cc4cn(C)nc4C)C3)nc2)cc1S(=O)(=O)N1CCCC1,XMEAJDBIDDZSKQ-UHFFFAOYSA-N
-rxn:4:221185:224617,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4ccc(OCCN5CCCC5)c(Cl)c4)cn3)CC2)n1,CXJHGZFZMRFZEG-UHFFFAOYSA-N
-rxn:4:221185:224619,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4ccc(OCCN5CCCC5)c(F)c4)cn3)CC2)n1,LBWJHEDQUKFOTB-UHFFFAOYSA-N
-rxn:4:221186:223902,CC1CCN(CCOc2ccc(-c3cnc(N4CCC(CN(C)c5cc(C(F)(F)F)ccn5)CC4)nc3)cc2F)CC1,XAYNECGBXWTECO-UHFFFAOYSA-N
-rxn:4:221186:224330,CN(CC1CCN(c2ncc(-c3ccc(Cl)c(C(=O)N4CCC(=O)CC4)c3)cn2)CC1)c1cc(C(F)(F)F)ccn1,KWTJYVCOUYGCGI-UHFFFAOYSA-N
-rxn:4:221191:225159,Cc1cc(N2CCCC(COc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cn3)C2)nc(C2CC2)n1,TUZNVARQWVMTRS-UHFFFAOYSA-N
-rxn:4:221206:223482,O=S(=O)(c1cc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)ncn4)CC3)cc2)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,VJNQBDILNCOJHS-UHFFFAOYSA-N
-rxn:4:221219:223959,CCN1CCN(C(=O)c2cc(-c3cnn(CC4CN(c5ncnc6cc(OC)c(OC)cc56)C4)c3)ccc2Cl)CC1,BMSMDYWUWRYULJ-UHFFFAOYSA-N
-rxn:4:221232:224941,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(CCN5CCOCC5)cc4)cn3)C1)CCOC2,SYVVEWGAIRDECY-UHFFFAOYSA-N
-rxn:4:221245:223766,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5cc6cc(C#N)ccc6n5C(=O)OC(C)(C)C)c4)CC3)nn2c1C,UNAFDTSFJKKEPD-UHFFFAOYSA-N
-rxn:4:221264:224759,CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cc2)n(C)c1=O,VWFOXBNCGIMLFN-UHFFFAOYSA-N
-rxn:4:221285:223576,CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3cnn(CC4CN(C(=O)c5cnccn5)C4)c3)c2)CC1,FKUCFSCRKZTQOR-UHFFFAOYSA-N
-rxn:4:221307:223754,CC1CCN(CCCOc2ccc(-c3cnccc3OC3CCN(c4nccnc4C#N)C3)cc2Cl)CC1,LQVZPAAANKYHPZ-UHFFFAOYSA-N
-rxn:4:221320:223638,Cn1nc(C(=O)N2CC(Cn3cc(-c4cccc(C5CCCN(C(=O)OC(C)(C)C)C5)c4)cn3)C2)ccc1=O,JKXKEPUAFSGZJP-UHFFFAOYSA-N
-rxn:4:221351:223970,Cc1ccc(-c2cnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,GFGFLKGIJCBSNR-UHFFFAOYSA-N
-rxn:4:221352:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(OC4CCN(c5nc(C6CC6)ns5)CC4)nc3)c(F)c2)CC1,GJIBANDTGWGSOJ-UHFFFAOYSA-N
-rxn:4:221373:222808,Cc1n[nH]c(C)c1C(=O)N1CCCC(Oc2ncc(-c3cc(C(=O)NC(C)C)cc([N+](=O)[O-])c3)cn2)C1,QWLGVLGAODLWBF-UHFFFAOYSA-N
-rxn:4:221382:224267,O=C(c1cncc(-c2cccc(N3CCC4(CC3)OCCO4)c2)c1)N1CCN(c2ccc(C3CC3)nn2)CC1,PWFOPCYJTSRJLP-UHFFFAOYSA-N
-rxn:4:221387:223602,Cc1ncnc(OCC2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cn3)CC2)c1C,ZDZFHNQRSXLDGT-UHFFFAOYSA-N
-rxn:4:221395:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)ccc2OC)CC1,OLKIWHNSPUFMHN-UHFFFAOYSA-N
-rxn:4:221411:225890,Cn1nc(C2CCN(C(=O)c3cncc(-c4cnn(COCC[Si](C)(C)C)c4)c3)CC2)n(C2CC2)c1=O,ZBICFRVVIZODPN-UHFFFAOYSA-N
-rxn:4:221411:226018,CSc1ccc(-c2cncc(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)c2)cc1OC(F)(F)F,PZITYHPYGAJZTH-UHFFFAOYSA-N
-rxn:4:221433:225186,Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccc(F)c(CN5CCSCC5)c4)cc3)CC2)n1,SBHLFLGQGGVSGI-UHFFFAOYSA-N
-rxn:4:221449:223075,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(NS(=O)(=O)C5CC5)cc4)cc3)CC2)n1,SLFUAKBIBPSUII-UHFFFAOYSA-N
-rxn:4:221478:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnn(CC3CN(C(=O)c4ccc5nccnc5c4)C3)c2)CC1,ORDZJZBXIBNQTQ-UHFFFAOYSA-N
-rxn:4:221539:225233,CC1CCCN(c2cc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cnc2Cl)C1,LJAQXSKIKRLUMH-UHFFFAOYSA-N
-rxn:4:221556:223831,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(CCO)c(C)c(C)n45)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCC(C)CC1,XUAOCXATHVPSAP-UHFFFAOYSA-N
-rxn:4:221614:223790,COCn1nc(-c2cncc(C3CCCN3C(=O)OC(C)(C)C)c2)nc1N1CCCN(C)CC1,ARDQKIAUBYGXEA-UHFFFAOYSA-N
-rxn:4:221641:222546,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,JNKMIKWNFROOIU-UHFFFAOYSA-N
-rxn:4:221727:225179,O=C(c1cncc(-c2cccc(Cl)c2CN2CCOCC2)c1)N1CCN(c2cc3c(nn2)CCCC3)CC1,ZYPSHWNVYSDIJU-UHFFFAOYSA-N
-rxn:4:221789:223777,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc5c(c4F)CCN(C(=O)OC(C)(C)C)C5)cc3)n(C)c2=O)cc1,AQEQVMFHCVMTSR-UHFFFAOYSA-N
-rxn:4:221836:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)s2)CC1,PFGKIYIPCYEXTM-UHFFFAOYSA-N
-rxn:4:221913:224179,CN1CCN(CCOc2ccc(-c3cccnc3OC3CCN(C(=O)CSc4nnnn4C)CC3)cc2)CC1,MDQWPQHHSYPXQY-UHFFFAOYSA-N
-rxn:4:221913:224249,CC1CCCN(C(=O)c2ccc(F)c(-c3cccnc3OC3CCN(C(=O)CSc4nnnn4C)CC3)c2)C1,CJEGGJSDGJWOBJ-UHFFFAOYSA-N
-rxn:4:221919:224867,CCOc1ccc(-c2ccc(OCC3CCCCC3)cc2)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1,JIMVDDDNVTUJOK-UHFFFAOYSA-N
-rxn:4:221935:223831,COc1ccc(-c2cnc(OCC3CCCN(c4nccnc4C#N)C3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,HUNVUPBYVMQIJI-UHFFFAOYSA-N
-rxn:4:221935:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(OCC3CCCN(c4nccnc4C#N)C3)nc2)CC1,WGFKXHITSPJHDL-UHFFFAOYSA-N
-rxn:4:221935:223997,Cc1cc(-c2cnc(OCC3CCCN(c4nccnc4C#N)C3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,WUCIFMOKSAELIV-UHFFFAOYSA-N
-rxn:4:221935:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(OCC4CCCN(c5nccnc5C#N)C4)nc3)ccc21,YAWBAHYFRPANJW-UHFFFAOYSA-N
-rxn:4:221935:224323,Cc1cc(-c2cnc(OCC3CCCN(c4nccnc4C#N)C3)nc2)cc(C)c1S(=O)(=O)N1CCCC1,MCFICSYOYJVFAK-UHFFFAOYSA-N
-rxn:4:221935:224396,Cc1cc(-c2cnc(OCC3CCCN(c4nccnc4C#N)C3)nc2)ccc1S(=O)(=O)N1CCOCC1,XXIOKHDCYSEYLS-UHFFFAOYSA-N
-rxn:4:221935:224405,N#Cc1nccnc1N1CCCC(COc2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cn2)C1,ZQEGCHUYXFCPLZ-UHFFFAOYSA-N
-rxn:4:221961:223812,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cncc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)CC3)nc2)cn1,LHXJIXSJGSPNCI-UHFFFAOYSA-N
-rxn:4:221965:225892,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C(OC)OC)ncc5OC)cc4)CC3)nn2)CC1,ZNUSVSYNWCLBDW-UHFFFAOYSA-N
-rxn:4:221966:224704,Cc1cc(C)n(-c2cc(N3CCN(c4nc(-c5ccc(-c6cc(F)c(F)c(N7CCC(C)CC7)c6)cc5)cs4)CC3)ccc2[N+](=O)[O-])n1,WDPDIWVIKHGOJZ-UHFFFAOYSA-N
-rxn:4:221975:223064,COc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(C7CCNCC7)nc6F)cc5)no4)C3C2=O)cc1,WXOUKHBWSBQTTF-UHFFFAOYSA-N
-rxn:4:221985:225162,Cn1cc(-c2nc3cnc(-c4ccc(C(=O)N5CCCC5)c(Cl)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,ZQAKXSCNVSGSQF-JOCHJYFZSA-N
-rxn:4:222033:222573,CN(C)c1cc(N2CCN(c3ncc(-c4cc(F)cc(C(=O)NCC5CCCCC5)c4)cc3C(F)(F)F)CC2)ncn1,FRGSXDRGENWUDL-UHFFFAOYSA-N
-rxn:4:222033:222860,CCCCNC(=O)c1ccc(F)c(-c2cnc(N3CCN(c4cc(N(C)C)ncn4)CC3)c(C(F)(F)F)c2)c1,ZPRDNQNVGWSQJO-UHFFFAOYSA-N
-rxn:4:222108:222860,CCCCNC(=O)c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1,DWFLPUAEYRYFLH-UHFFFAOYSA-N
-rxn:4:222108:224498,CCN1CCN(Cc2ccccc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)CC1,VCOHMRAZIDLKFJ-UHFFFAOYSA-N
-rxn:4:222161:222634,Cn1nc(C2CCN(c3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)CC2)n(C2CC2)c1=O,VRJNTWIOJSJJFN-UHFFFAOYSA-N
-rxn:4:222174:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(C(=O)N5CC(n6ccnn6)C5)n(C)nc4c3)ccc2OC)CC1,BTPGAPLWICTNGO-UHFFFAOYSA-N
-rxn:4:222193:223953,COCCN1CCN(c2cc(F)cc(-c3ccc4c(C(=O)N5Cc6cnc(N7CCOCC7)nc6C5)n(C)nc4c3)c2)CC1,QKGCIKDIWJMDMG-UHFFFAOYSA-N
-rxn:4:222218:223813,Cc1ncnc(N2CCN(c3ncc(-c4ccc(CN5CCC6(CC5)OCCO6)c(F)c4)cn3)CC2)c1C,XNUJQVXJNVPSJZ-UHFFFAOYSA-N
-rxn:4:222296:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5ccc6nncn6n5)C4)nc3)ccc2OC)CC1,DBRINCMJZXEQBP-UHFFFAOYSA-N
-rxn:4:222302:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5ncnc6c5ncn6C)C4)nc3)cc2F)CC1,BPGHZWCIQIGNCF-UHFFFAOYSA-N
-rxn:4:222333:224292,Cc1cc(-c2cnc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nc2)ccc1S(=O)(=O)OCC(C)(C)C,MZZAOATXYIYZEL-UHFFFAOYSA-N
-rxn:4:222347:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cncc(C(=O)N4CCCN(c5ccc6nnc(C)n6n5)CC4)c3)c2)CC1,IHESLPKDBPPQRW-UHFFFAOYSA-N
-rxn:4:222389:176301,Cc1cccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4)ccc3C2=O)c1,MQQHZQUEXQNJSL-UHFFFAOYSA-N
-rxn:4:222389:186465,CCOC(=O)N=S(C)(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,PPCYOBVCMTYMRJ-UHFFFAOYSA-N
-rxn:4:222389:217197,CC1CCCCN1c1ncc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(Cl)n1,VYIJQWCGEWKKSC-UHFFFAOYSA-N
-rxn:4:222389:219511,O=c1ccc(-c2ccncc2)nn1C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)C1,OXEYSQGCYJJZOU-UHFFFAOYSA-N
-rxn:4:222523:176110,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccccc3Cl)c2)c(C(F)(F)F)c1,BTEKARQCVJZYDF-UHFFFAOYSA-N
-rxn:4:222523:189334,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc(C(=O)OC(C)(C)C)c(Cl)c2)c(C(F)(F)F)c1,TXXQKNSDWVOWQD-UHFFFAOYSA-N
-rxn:4:222523:189683,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(F)cc(/C=N/[S@](=O)C(C)(C)C)c2)c(C(F)(F)F)c1,ZDJXDIBIJQPUBN-IOKIXSEPSA-N
-rxn:4:222523:204515,CCn1c(=NC(=O)C2CC2)sc2cc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3C(F)(F)F)ccc21,UBHJNTPJRCDKAM-UHFFFAOYSA-N
-rxn:4:222613:187286,CCCNS(=O)(=O)c1ccc(-c2ccc(C)cc2C(=O)N(C(C)C)C(C)C)c(C(F)(F)F)c1,KTQSHPUXLMFJQN-UHFFFAOYSA-N
-rxn:4:222613:187969,CCCNS(=O)(=O)c1ccc(-c2cccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c(C(F)(F)F)c1,ANITUQLZOUHCGO-UHFFFAOYSA-N
-rxn:4:222693:194407,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)o1)N1CC2CC1CS2(=O)=O,ORCHGNSDZWPQGA-UHFFFAOYSA-N
-rxn:4:222713:174515,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)c1,OCAIUSDQVRTPMS-UHFFFAOYSA-N
-rxn:4:222742:183923,O=C(COc1ccc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc1)N(c1ccccc1)C1C=CS(=O)(=O)C1,BCVXOEDBPNAXTH-UHFFFAOYSA-N
-rxn:4:222820:187222,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(F)cc2C2CN(C(=O)OC(C)(C)C)C2)cc1F,QWZPTTNFERNYOT-UHFFFAOYSA-N
-rxn:4:222821:174515,CC(C)[Si](Oc1ccc(-c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1)(C(C)C)C(C)C,FBKPHOLFWRJVGD-UHFFFAOYSA-N
-rxn:4:222821:185435,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(N(C(=O)c3ccc(C(C)(C)C)cc3)C3C=CS(=O)(=O)C3)cc2)ccc1F,YBURGGXJVRPPFT-UHFFFAOYSA-N
-rxn:4:222910:174656,CCCNS(=O)(=O)c1ccc(-c2cccc3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c23)c(C)c1,ZHBLQFVFYPDDNY-UHFFFAOYSA-N
-rxn:4:222940:187270,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(C(F)(F)F)cc2CN2CCCC(C(F)(F)F)C2)c1,KDZAECVLUYBHEB-UHFFFAOYSA-N
-rxn:4:222940:187828,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3c(c2)S(=O)(=O)N(CC(=O)OC(C)(C)C)C3=O)c1,QZALGALBAOTZCM-UHFFFAOYSA-N
-rxn:4:222942:184693,CC(C)(C#N)S(=O)(=O)c1cc(OC(F)(F)F)cc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)c1,YWLJAMKRECAYEP-UHFFFAOYSA-N
-rxn:4:223070:199500,COC(=O)C(C(=O)OC(C)(C)C)c1ncc(-c2csc(NC(=O)OC(C)(C)C)c2)cn1,NIPQITSMJAOCFL-UHFFFAOYSA-N
-rxn:4:223090:219500,N#Cc1cc(-c2ccc3[nH]nc(C(F)(F)F)c3c2)cnc1N1CCCC(C(=O)N2CCSCC2)C1,JECKJKMEOQKZMH-UHFFFAOYSA-N
-rxn:4:223092:174526,Cc1c(-c2cccc(NS(=O)(=O)N(C)C)c2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl,RBSGRYNQWGWUJP-UHFFFAOYSA-N
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-rxn:5:177891:223142:223356,CNC(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCCNC3)nc2)c1,BLFYTEYGBAKUMH-UHFFFAOYSA-N
-rxn:5:177891:223142:228698,CCC(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCCNC3)nc2)s1,FYWBBISQAULVEQ-UHFFFAOYSA-N
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-rxn:5:177891:226685:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1cnc(C2CCOCC2)nc1,VRKXORFWMAADMX-UHFFFAOYSA-N
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-rxn:5:177891:228016:227517,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2COC2)nc1)c1ccccc1-c1cc(C2CCCC2)cs1,NBKFDULARCRYEW-UHFFFAOYSA-N
-rxn:5:177970:223006:227804,O=[N+]([O-])c1cc(-c2cc(OCC3CCCC3)cc(-c3ccc(F)c(C4CCNCC4)c3)c2)c([N+](=O)[O-])s1,WWFUUMWQNYXVDT-UHFFFAOYSA-N
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-rxn:5:178118:227710:222960,Cc1cc(-c2ccc(-c3ccc(OS(C)(=O)=O)cc3)c(OCC3CCCCO3)c2)cc(C2CCNCC2)c1,UOWZRUPSYFJJLH-UHFFFAOYSA-N
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-rxn:5:178226:227040:225806,Cc1ccc(OC(C)C)c(-c2c(OCC3CCCCC3)cccc2-c2cnc(OC3CCCC3)cc2F)c1,ATDVWFRUVZHHEP-UHFFFAOYSA-N
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-rxn:5:178295:226772:228630,CCc1cc(F)cc(-c2ccc(-c3c(F)cc(C(=O)OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,URLLNCHKVZGAAG-UHFFFAOYSA-N
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-rxn:5:178295:227020:222405,COC(=O)C1(c2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2-c2cncc(C#CC3CC3)c2)CCC(=O)CC1,KDQFFDAAMPTCTD-UHFFFAOYSA-N
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-rxn:5:178295:228430:227356,CCOc1cc(F)c(C)cc1-c1ccc(-c2c(F)cc(SC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,GJDQAEGGOIDFHK-UHFFFAOYSA-N
-rxn:5:178295:228435:226910,CCC(C)(C)c1ccc(-c2ccc(-c3c(SC)ccc(F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,SZTZMRQUXIPSJT-UHFFFAOYSA-N
-rxn:5:178295:228447:227346,CCCc1cc(F)c(-c2ccc(-c3cccc(C(F)F)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)c1,IBETUQBJMWURLG-UHFFFAOYSA-N
-rxn:5:178313:226060:226060,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CC3)cc(C3CC3)c2)c(-c2cc(C3CC3)cc(C3CC3)c2)c1,IOMLXJCSPLVPNX-UHFFFAOYSA-N
-rxn:5:178313:226969:225407,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3c(c2)CCCC3=O)c(-c2ccc(C3CCCCCC3)cc2)c1,CSBZKYVOQVBWPJ-UHFFFAOYSA-N
-rxn:5:178313:227120:225671,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCC3)cc2F)c(-c2cc(C3CCCCC3)ncc2F)c1,JLIOPRWIVIVNSR-UHFFFAOYSA-N
-rxn:5:178314:225451:226916,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)ccc1-c1cccc(C2=CCCC2)c1,DSNDRCCCVHADDG-UHFFFAOYSA-N
-rxn:5:178314:226907:225407,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc3c2CCC32CC2)ccc1-c1ccc(C2CCCCCC2)cc1,ZLTPCHDYOHMSND-UHFFFAOYSA-N
-rxn:5:178314:228002:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2sccc2C2CCCC2)ccc1-c1cccc(SC2CCCCC2)c1,GVYLIOMIOBZWTJ-UHFFFAOYSA-N
-rxn:5:178315:225407:225499,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2ccc(C3CCCCC3)cc2F)c1,VCDGRSWTLFJBDM-UHFFFAOYSA-N
-rxn:5:178315:225451:226969,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2ccc3c(c2)CCCC3=O)c1,YBLUQEQQNVKMMH-UHFFFAOYSA-N
-rxn:5:178315:226181:226779,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C(F)(F)F)cc2)cc(-c2ccc(C3=CCCCC3)nc2)c1,NQIOBMUPBCRRID-UHFFFAOYSA-N
-rxn:5:178466:223063:225976,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1ccnc(N2CCOCC2)c1F,PMRNQLVLCLRRPH-UHFFFAOYSA-N
-rxn:5:178466:225976:225833,CC(C)OC(=O)c1sc2cc(-c3ccnc(N4CCOCC4)c3F)ccc2c1-c1ccnc(N2CCCCC2)c1F,WTNKQMUBRLQLHD-UHFFFAOYSA-N
-rxn:5:178467:223008:223010,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3cc(C4CCNCC4)ccc3F)c2OC1,RUSYSNGLUFAFBC-UHFFFAOYSA-N
-rxn:5:178467:223016:225808,CCOC(=O)C1=Cc2cc(-c3cc(OC4CCCC4)ncc3F)cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)c2OC1,VBKNWYBAUYAUJN-UHFFFAOYSA-N
-rxn:5:178467:223062:226395,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,TYQLSEDMNKHGPT-UHFFFAOYSA-N
-rxn:5:178467:223063:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,DKTFOZUBYSPCME-UHFFFAOYSA-N
-rxn:5:178467:223066:225808,CCOC(=O)C1=Cc2cc(-c3cc(OC4CCCC4)ncc3F)cc(-c3ccc4c(C(=O)OC)n[nH]c4c3)c2OC1,WRXLFAFYTYYCPD-UHFFFAOYSA-N
-rxn:5:178467:223141:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cncc(C4CCNCC4)c3)c2OC1,NAEIEXQMXYIJIW-UHFFFAOYSA-N
-rxn:5:178467:223242:223010,CCOC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3ccnc(C4CCNC4)c3)c2OC1,MLFLPPPMFGXODI-UHFFFAOYSA-N
-rxn:5:178467:225601:223135,CCOC(=O)C1=Cc2cc(-c3cccnc3C3CCCNC3)cc(-c3ccc(C4(C#N)CCC4)cc3F)c2OC1,FHZLNRWIGCHUEW-UHFFFAOYSA-N
-rxn:5:178467:225633:228133,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(CC#N)c3)cc(-c3ccc(N4CCCCCC4)nc3)c2OC1,SZVXMXFYXWOZJU-UHFFFAOYSA-N
-rxn:5:178467:225655:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3cncc(N4CCC(C)CC4)c3)c2OC1,AJLMDVJLHBQDGQ-UHFFFAOYSA-N
-rxn:5:178467:225656:223066,CCOC(=O)C1=Cc2cc(-c3ccc4c(C(=O)OC)n[nH]c4c3)cc(-c3cncc(N4CCCCC4C)c3)c2OC1,OLDGOOOUJHAHFJ-UHFFFAOYSA-N
-rxn:5:178467:225794:227412,CCOC(=O)C1=Cc2cc(-c3cnc(C(C)(C)C)cc3F)cc(-c3cnc(OC4CCCCC4)nc3)c2OC1,YHDWLBFQPGEZLZ-UHFFFAOYSA-N
-rxn:5:178467:225833:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,FRCIVRFJEQEJQY-UHFFFAOYSA-N
-rxn:5:178467:225849:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cnc(N4CCCCC4)cc3F)c2OC1,OEPSVNUSKSTYDE-UHFFFAOYSA-N
-rxn:5:178467:225980:226661,CCOC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,UITFPSUZXNBIOP-UHFFFAOYSA-N
-rxn:5:178467:226395:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3cncc(N4CCCCC4)c3)c2OC1,CFBDBFHHGAKOPN-UHFFFAOYSA-N
-rxn:5:178467:226643:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3ccc(N4CCOCC4)nc3)c2OC1,WRWBYARZISAYTB-UHFFFAOYSA-N
-rxn:5:178467:226649:226662,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3cccnc3N3CCOCC3)c2OC1,TZYXDXUINXIWEM-UHFFFAOYSA-N
-rxn:5:178467:226662:226661,CCOC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3ccc(N4CCN(C)CC4)s3)c2OC1,JYUIMSGAKBRJIX-UHFFFAOYSA-N
-rxn:5:178467:227303:226685,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCOCC4)nc3)cc(-c3cccc(CN(C)C)c3F)c2OC1,XFZUOTCXULKINA-UHFFFAOYSA-N
-rxn:5:178467:227387:225515,CCOC(=O)C1=Cc2cc(-c3cccc4c3OCC(C)(C)CO4)cc(-c3ccnc(N4CCCC4)c3)c2OC1,GTRXCOUEINLBQN-UHFFFAOYSA-N
-rxn:5:178467:227506:223064,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2OC1,YKEVLAVSKJSVRD-JLHYYAGUSA-N
-rxn:5:178467:227703:226395,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,WLKYJZZLFWQDRK-UHFFFAOYSA-N
-rxn:5:178467:228097:226426,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCC(C)CC4)s3)cc(-c3cncc(CN(C)C)c3)c2OC1,OHANQKNRWYFBBF-UHFFFAOYSA-N
-rxn:5:178467:228133:225633,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCCCCC4)nc3)cc(-c3ccc(F)c(CC#N)c3)c2OC1,YHEBUASFZLGUQA-UHFFFAOYSA-N
-rxn:5:178467:228140:226572,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCCC4)nc3)cc(-c3ccc(C(C)N(C)C)s3)c2OC1,RKZHCLJZPGBQGU-UHFFFAOYSA-N
-rxn:5:178467:228321:225784,CCOC(=O)C1=Cc2cc(-c3ccc(CN4CCOCC4)nc3)cc(-c3cncc(C(=O)OC)c3)c2OC1,UYHHHHCXXWCOMO-UHFFFAOYSA-N
-rxn:5:178467:228327:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cnc(OC)c(OC)c3)c2OC1,KFHRSSQCXXGJBF-UHFFFAOYSA-N
-rxn:5:179417:226583:225805,CCS(=O)(=O)c1ccc(-c2ccc(CN3CCOCC3)s2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,OVDSHLLMVDAPCK-UHFFFAOYSA-N
-rxn:5:179418:223018:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)s1)N1CCOCC1,XEGIANUKYCHVBU-UHFFFAOYSA-N
-rxn:5:180267:225924:225440,CSc1cc(C(C)(C)C)cc(-c2ccc(S(=O)(=O)N(C)C)cc2C)c1-c1ccc(C2(C#N)CCCC2)cc1,YRBQTJRVBYGTQJ-UHFFFAOYSA-N
-rxn:5:180267:225925:225814,CSc1cc(C(C)(C)C)cc(-c2cc(S(=O)(=O)N(C)C)ccc2C)c1-c1cccc(C2(C(F)(F)F)CC2)c1,XGKCEYRQKNOGAT-UHFFFAOYSA-N
-rxn:5:180422:225590:225641,CC1CCCN(c2cc(-c3cc(CC4CCCCC4)ccc3-c3ccc(CN4CCCC4)c(F)c3)ccn2)C1,LKNINIPVGMBGSB-UHFFFAOYSA-N
-rxn:5:180506:223058:227803,CN(C)S(=O)(=O)n1nccc1-c1c(-c2cc(F)nc(C3CCCNC3)c2)cc(C(C)(C)C)cc1C1OCCO1,UQKMSLHWICMDOV-UHFFFAOYSA-N
-rxn:5:180602:223056:225926,COC(=O)C1Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccc(N4CCC(O)CC4)nc3)c2O1,CORDLVMUAJLYBD-UHFFFAOYSA-N
-rxn:5:180613:223062:223054,COC(=O)c1cc2cc(-c3ccc(C(C)N4CCC(O)C4)s3)cc(-c3cnc(C4CCNCC4)cc3F)c2oc1=O,JHXDLPNCGFTECU-UHFFFAOYSA-N
-rxn:5:180662:222987:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccc(C4CCNCC4)nc3C)c2OC1,DFAQNOMZCXWOMW-UHFFFAOYSA-N
-rxn:5:180662:222994:226973,COC(=O)C1=Cc2cc(-c3ccc4c(c3)C(C)(C)CO4)cc(-c3cccc(N4CCC(O)CC4)c3)c2OC1,MTZLZVMWLFZQOI-UHFFFAOYSA-N
-rxn:5:180662:223000:226729,COC(=O)C1=Cc2cc(-c3cnc(OC4CCOC4)nc3)cc(-c3ccc(C4CCCNC4)c(F)c3)c2OC1,PJEUOXNNIWSMCW-UHFFFAOYSA-N
-rxn:5:180662:225833:223061,COC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,GVELFRKXEGJBBU-UHFFFAOYSA-N
-rxn:5:180662:226794:225976,COC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,OYNULSNORFUPPP-UHFFFAOYSA-N
-rxn:5:180662:227281:223063,COC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3cc(C#N)nc(C(C)C)c3)c2OC1,AWTWREDPBULZCI-UHFFFAOYSA-N
-rxn:5:181904:225832:223131,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(N2CCNCC2)cc1,NSUFIQNFYBQDAD-UHFFFAOYSA-N
-rxn:5:181906:225514:225656,Cc1ccc(-c2cccc3c2OCC2(CC2)CO3)c(C2OCCO2)c1-c1cncc(N2CCCCC2C)c1,SGMUZFUAZDIJJW-UHFFFAOYSA-N
-rxn:5:181907:226427:225407,Cc1cc(-c2cc(N3CCC(C)CC3)cs2)c(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1,YBYXVAXNWKKPLK-UHFFFAOYSA-N
-rxn:5:181908:225407:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCCCCC3)cc2)cc(C2CCCNC2)c1,RRQVPGNKZRRWOD-UHFFFAOYSA-N
-rxn:5:182010:226174:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccc(C3CCCCC3)nc2)c1,VFBAFRJMEGVRQH-UHFFFAOYSA-N
-rxn:5:182013:225832:223137,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cncc(C3CCCNC3)c2)c(C2CCOCC2)c1,WCLROEQFOOEHHD-UHFFFAOYSA-N
-rxn:5:183190:225925:225819,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2cc(C(F)(F)F)ccc2C2CC2)cc2c1CC(C)(C)C2=O,JWXSANAOCGXRAP-UHFFFAOYSA-N
-rxn:5:188249:223065:223006,CC(=O)Oc1c(C#N)cc(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1ccc(N2CCNCC2)cc1F,ZSTPOAZSPQBADR-UHFFFAOYSA-N
-rxn:5:188872:225594:223062,CON(C)C(=O)c1cc(-c2ccc(F)cc2CN2CCCC2)ccc1-c1cnc(C2CCNCC2)cc1F,UVAQADDUKQLSDG-UHFFFAOYSA-N
-rxn:5:188873:222987:223007,CON(C)C(=O)c1cc(-c2cc(F)cc(C3CCNCC3)c2)ccc1-c1ccc(C2CCNCC2)nc1C,XIPWWHQSZUUJNC-UHFFFAOYSA-N
-rxn:5:188876:223007:222987,CON(C)C(=O)c1cccc(-c2cc(F)cc(C3CCNCC3)c2)c1-c1ccc(C2CCNCC2)nc1C,XAQVXYLPCCFWQF-UHFFFAOYSA-N
-rxn:5:188877:223002:223062,CON(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(C3CCNCC3)cc2F)c1,JTMZRGYTKDAICH-UHFFFAOYSA-N
-rxn:5:188877:223006:222987,CON(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2C)c(-c2ccc(F)c(C3CCNCC3)c2)c1,SZDRQJUZYMZOFC-UHFFFAOYSA-N
-rxn:5:188930:223240:223056,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCNC3)nc2)cc1-c1ccc(N2CCC(O)CC2)nc1,GXTFNCBKOHCYRZ-UHFFFAOYSA-N
-rxn:5:188930:226321:223064,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(SC3CCCC3)nc2)cc1-c1ccc(C2CCNCC2)nc1F,QKCBGOYVGFQKPD-UHFFFAOYSA-N
-rxn:5:188930:226330:227438,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCCC3)s2)cc1-c1ccnc(C2CCOC2)c1,REXXCZDRLXBJGK-UHFFFAOYSA-N
-rxn:5:189207:225655:225797,CC1CCN(c2cncc(-c3ccc(-c4ccc(C(C)(C)C)c([N+](=O)[O-])c4)c(C(=O)ON4C(=O)CCC4=O)c3)c2)CC1,YPZKTJZTAOAVDM-UHFFFAOYSA-N
-rxn:5:189207:226664:228678,CC(C)Cn1nccc1-c1ccc(-c2cc(N3CCCC3)ncc2F)cc1C(=O)ON1C(=O)CCC1=O,BTKYJLOYMGQUFK-UHFFFAOYSA-N
-rxn:5:189207:226744:226891,CCc1cc(-c2ccc(-c3cc(C(F)(F)F)cc(F)c3F)c(C(=O)ON3C(=O)CCC3=O)c2)cnc1C(F)(F)F,QIDJKUWOUURQKQ-UHFFFAOYSA-N
-rxn:5:189207:228234:226137,CC(C)c1ncc(C2CC2)cc1-c1ccc(-c2c(C3CC3)ccnc2F)cc1C(=O)ON1C(=O)CCC1=O,SWZGGQGZGRQDND-UHFFFAOYSA-N
-rxn:5:189207:228877:226137,CC(C)c1ncc(C2CC2)cc1-c1ccc(-c2ccnn2C2CC2F)cc1C(=O)ON1C(=O)CCC1=O,IUYBSBBPZTXRHM-UHFFFAOYSA-N
-rxn:5:189208:223001:227983,C[Si](C)(C)c1ccccc1-c1cc(-c2cc(C3CCCNC3)ccc2F)ccc1C(=O)ON1C(=O)CCC1=O,DTFZDMWHTWPKDU-UHFFFAOYSA-N
-rxn:5:189208:223281:227448,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3(O)COC3)nc2)cc1-c1ccc(C2COC2)c(F)c1,YNXYFPNTMRQNNM-UHFFFAOYSA-N
-rxn:5:189209:225594:223352,CC(C)Nc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(F)cc3CN3CCCC3)c2)cn1,NPUQLMNDEGCREV-UHFFFAOYSA-N
-rxn:5:189209:226176:223011,CC(C)Oc1cc2cn[nH]c2cc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2ccncc2C2CCCCC2)c1,PLERSYKOMDJWOV-UHFFFAOYSA-N
-rxn:5:189209:228913:222989,COc1nccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3ccc(N4CCNCC4)cc3C)c2)c1F,RTLISILHUIPCLH-UHFFFAOYSA-N
-rxn:5:189210:226137:228234,CC(C)c1ncc(C2CC2)cc1-c1cccc(-c2c(C3CC3)ccnc2F)c1C(=O)ON1C(=O)CCC1=O,WPKNYMIOYKALHU-UHFFFAOYSA-N
-rxn:5:189210:227283:227408,N#Cc1cc(-c2cccc(-c3cc(C4CCC4)ncc3F)c2C(=O)ON2C(=O)CCC2=O)cc(C2CC2)n1,OIZQWOAUVHNRKA-UHFFFAOYSA-N
-rxn:5:189212:227336:223138,CC(C)Oc1cc(F)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1ccnc(C2CCNCC2)c1,HFZXPNDOJMDKKJ-UHFFFAOYSA-N
-rxn:5:189321:225439:226679,CC(c1cccc(-c2ccc(-c3cnc(N4CCCC4)cc3F)c(C(=O)OC(C)(C)C)n2)c1)N1CCCC1,LRZCFHFXPUCHOF-UHFFFAOYSA-N
-rxn:5:189335:225872:226891,COc1cc(C(=O)N(C)C)cc(-c2cc(F)c(F)c(N3CCCC3)c2)c1-c1cc(C(F)(F)F)cc(F)c1F,FMFKHYGZVAHEEB-UHFFFAOYSA-N
-rxn:5:189335:226588:225456,COc1cc(C(=O)N(C)C)cc(-c2cc(OC3CCC3)ncc2F)c1-c1ccc(C2CCN(C)CC2)cc1,ULKAFBKFKIJZCN-UHFFFAOYSA-N
-rxn:5:189513:225597:222960,Cc1cc(-c2ccc(S(=O)(=O)c3cc(-c4ccc(OC5CCCCC5)nc4)ccc3[N+](=O)[O-])cc2)cc(C2CCNCC2)c1,UIEHLHIZKAWKGR-UHFFFAOYSA-N
-rxn:5:189539:226758:225798,COc1ccc(-c2cccc(C(=O)N(C)C(C)C)c2-c2ccc(OC3CCOCC3)nc2)cc1C(F)(F)F,CWYGIGFQGBMCCI-UHFFFAOYSA-N
-rxn:5:189665:225454:227710,CN1CC=C(c2ccc(-c3cnc(OCC4CCOCC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)cc2)CC1,DIXVPAVYJRTMNY-UHFFFAOYSA-N
-rxn:5:189668:223065:225583,O=C(Cc1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1-c1ccc(N2CCNCC2)cc1F)N1CCCC1,GSFVTASJEJOPRA-UHFFFAOYSA-N
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-rxn:5:189908:227505:223004,O=[N+]([O-])/C=C/c1ccc(-c2cnc(-c3ccc(C4CCNCC4)c(F)c3)c(OCC3CCCCC3)c2)cc1,KLMCIBYWCOJVHV-SAPNQHFASA-N
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-rxn:5:190195:223141:226395,CN(Cc1ccc(-c2cncc(C3CCNCC3)c2)c(-c2cncc(N3CCCCC3)c2)c1)C1CCOCC1,ZMRQUMYZVVSYMU-UHFFFAOYSA-N
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-rxn:5:190198:225589:225672,CN(Cc1c(-c2ccc(CN3CCSCC3)cc2)cccc1-c1cc(F)nc(C2CCCCC2)c1)C1CCOCC1,YYXPNKUXYSPVHE-UHFFFAOYSA-N
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-rxn:5:190265:227052:227589,Cc1cc(OC(F)F)cc(-c2ccc(CC(=O)N3CCCC(C)C3)cc2-c2ccc(SC(C)(C)C)cc2)c1,HZTJYDUUPDKPBP-UHFFFAOYSA-N
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-rxn:5:190336:223252:228315,CCOc1cc(-c2cc(C(=O)N3CCCC(C)C3)cc(-c3cc(F)c4c(c3)NCCO4)c2OC)c(F)cn1,FRFGCABOWGOROC-UHFFFAOYSA-N
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-rxn:5:190484:226662:223200,CN1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc(C6CCNC6)cc5)S(=O)(=O)CC4)c3)s2)CC1,LOWLOWGOWQCVMF-UHFFFAOYSA-N
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-rxn:5:190484:228388:227068,Cc1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(CC(C)C)cc3F)S(=O)(=O)CC2)c1,CFHNEPWBXMYLMJ-UHFFFAOYSA-N
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-rxn:5:190742:225591:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cc(CN4CCCC4)ccc3F)c2c1-c1ccc(CN2CCOCC2)nc1,JNKBCFULMJMRLT-UHFFFAOYSA-N
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-rxn:5:190742:225834:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCCCC4)ncc3F)c2c1-c1ccc(CN2CCOCC2)nc1,SUBOOJZGPIGNKA-UHFFFAOYSA-N
-rxn:5:190742:225976:225803,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccnc(OC2CCOCC2)c1,SLYZGPAFTPNJOZ-UHFFFAOYSA-N
-rxn:5:190742:226427:225834,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCC(C)CC4)cs3)c2c1-c1cc(N2CCCCC2)ncc1F,OGUVBOGNMJIJRX-UHFFFAOYSA-N
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-rxn:5:190743:225584:223004,CCOC(=O)c1cnc2c(C)c(-c3ccc(C(=O)N4CCCC4)cc3)ccc2c1-c1ccc(C2CCNCC2)c(F)c1,ZDVNMEFUVWFAKO-UHFFFAOYSA-N
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-rxn:5:190744:223062:225978,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccc(N2CCOCC2)nc1F,ZRWBNZUDXARHDM-UHFFFAOYSA-N
-rxn:5:190744:225576:225833,CCOC(=O)c1cnc2c(-c3ccc(N4CCCC4)c(C#N)c3)c(C)ccc2c1-c1ccnc(N2CCCCC2)c1F,NIHGZPLUUWMZLI-UHFFFAOYSA-N
-rxn:5:190744:225639:225591,CCOC(=O)c1cnc2c(-c3cccnc3N3CCC(C)CC3)c(C)ccc2c1-c1cc(CN2CCCC2)ccc1F,ROPVXJVTOBZDHU-UHFFFAOYSA-N
-rxn:5:190744:225833:225655,CCOC(=O)c1cnc2c(-c3ccnc(N4CCCCC4)c3F)c(C)ccc2c1-c1cncc(N2CCC(C)CC2)c1,MAFPBYXORXLTMY-UHFFFAOYSA-N
-rxn:5:190796:225453:227119,CC(C)(C)OC(=O)n1cc(-c2cccc(SC3CCCCC3)c2)c2c(-c3cc(C4CCCCC4)cs3)cccc21,IPXALVFNFNBVFI-UHFFFAOYSA-N
-rxn:5:190832:225849:226371,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCCCC4)cc3F)c(C)c2c1-c1cnc(N2CCCC2)cc1C,NOTIVMUZUNQOBD-UHFFFAOYSA-N
-rxn:5:190832:226412:223056,CCOC(=O)c1cnc2cc(C)c(-c3cc(F)cc(N4CCCC4)c3)c(C)c2c1-c1ccc(N2CCC(O)CC2)nc1,BJYHZGGGCHESHY-UHFFFAOYSA-N
-rxn:5:190833:227716:227045,CC(C)(C)OC(=O)N1Cc2c(-c3cccc(SC(C)(C)C)c3)ccc(-c3cccc(F)c3OC(F)F)c2C1=O,QTHFZSPRLARMSZ-UHFFFAOYSA-N
-rxn:5:190997:222980:222985,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(C4CCCNC4)nc3C)c3cccnc23)c(C)cc1-c1ccc(CN2CCNCC2)cc1,YEYXFGCPDXZCKX-UHFFFAOYSA-N
-rxn:5:190998:227278:223062,COC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1N1Cc2cc(-c3ccc(C4(C#N)CC4)nc3)ccc2OCC1=O,NHODIOIDQQXCJG-UHFFFAOYSA-N
-rxn:5:191026:227076:228346,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C(=O)OC)sc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,BNSIVGKKENZIDK-UHFFFAOYSA-N
-rxn:5:191026:228135:226332,CCOc1cc(C)ncc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccccc3C(=O)N3CCC3)c1)C=C(C(=O)OC)S2(=O)=O,VTIQSPZBRQSRJV-UHFFFAOYSA-N
-rxn:5:191026:228279:226911,CCc1cc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(CC)cc(C)cc4CC)c2)C=C(C(=O)OC)S3(=O)=O)c(F)c1,UZCPIVMLVMKRLD-UHFFFAOYSA-N
-rxn:5:191026:228562:227705,CCC(C)c1csc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cnc(C(F)F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,WVFKJHIFEWPSBP-UHFFFAOYSA-N
-rxn:5:191026:228567:227662,CCC(C)c1sccc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccc(C)cc3C(F)(F)F)c1)C=C(C(=O)OC)S2(=O)=O,FUUCDICAVNFBRQ-UHFFFAOYSA-N
-rxn:5:191049:226664:227968,COc1cc(N2Cc3cc(-c4cc(N5CCCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cnccc1C1CCC1,SWSLLYMEIUAVNA-UHFFFAOYSA-N
-rxn:5:191049:228739:223062,COc1cc(-c2ccc3c(c2)CN(c2cc(OC)c(-c4cnc(C5CCNCC5)cc4F)cc2OC)C(=O)CO3)c(C)cn1,RZDSDGVWMKAAEM-UHFFFAOYSA-N
-rxn:5:192074:223054:222988,CCS(=O)(=O)c1cnc(-c2cc(C)nc(C3CCNCC3)c2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,AKXNSXZMWSXJQH-UHFFFAOYSA-N
-rxn:5:192234:222986:223008,COc1c(-c2cc(C3CCNCC3)ccc2F)cc(-c2cc(C)nc(C3CCCNC3)c2)cc1S(N)(=O)=O,BRTASBWVTPUADE-UHFFFAOYSA-N
-rxn:5:192234:222990:223064,COc1c(-c2ccc(C3CCNCC3)nc2F)cc(-c2ccc(N3CCC(O)CC3)cc2)cc1S(N)(=O)=O,XTQGNDRVGNHZKE-UHFFFAOYSA-N
-rxn:5:192234:225447:225784,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(-c2ccc(OC3CCCCC3)cc2)cc1S(N)(=O)=O,MORLYTMVXMYFLZ-UHFFFAOYSA-N
-rxn:5:192234:225581:223063,COc1c(-c2cc(F)nc(C3CCNCC3)c2)cc(-c2ccc(CN3CCOCC3)cc2)cc1S(N)(=O)=O,NDZPHRHRJPHJJB-UHFFFAOYSA-N
-rxn:5:192234:225589:225784,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(-c2ccc(CN3CCSCC3)cc2)cc1S(N)(=O)=O,IHEHZZATLYKBTH-UHFFFAOYSA-N
-rxn:5:192234:225784:225684,COc1c(-c2ccc(C3CCOCC3)nc2C)cc(-c2ccc(CN3CCOCC3)nc2)cc1S(N)(=O)=O,KSXPZYMRTXCOKK-UHFFFAOYSA-N
-rxn:5:192234:225784:226583,COc1c(-c2ccc(CN3CCOCC3)s2)cc(-c2ccc(CN3CCOCC3)nc2)cc1S(N)(=O)=O,HKSFIZLOZYJKLQ-UHFFFAOYSA-N
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-rxn:5:192234:225868:226583,COc1c(-c2ccc(CN3CCOCC3)s2)cc(-c2ccc(N3CCOCC3)c(F)c2)cc1S(N)(=O)=O,ILENMJVQPSJAIQ-UHFFFAOYSA-N
-rxn:5:192234:226583:223004,COc1c(-c2ccc(C3CCNCC3)c(F)c2)cc(-c2ccc(CN3CCOCC3)s2)cc1S(N)(=O)=O,JYPNBHKOSGSTBX-UHFFFAOYSA-N
-rxn:5:192236:225806:225794,COc1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)cc1-c1cnc(OC2CCCC2)cc1F,FKDDPNYWFXEIGE-UHFFFAOYSA-N
-rxn:5:193225:223064:227070,CCOc1cc(C)c(C)cc1-c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1C(=O)N1CCOCC1,FRBWSGJQDYWKKW-UHFFFAOYSA-N
-rxn:5:193226:223006:223062,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2cnc(C3CCNCC3)cc2F)c1)N1CCOCC1,LKXGXKBYPIWJFI-UHFFFAOYSA-N
-rxn:5:193226:226664:225980,O=C(c1ccc(-c2cc(N3CCCC3)ncc2F)c(-c2cc(N3CCOCC3)ncc2F)c1)N1CCOCC1,UOKMKXFDRNJGDL-UHFFFAOYSA-N
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-rxn:5:197876:226031:227828,Cc1c(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cccc1C1CC1,XYCOTUHLVZVTBD-UHFFFAOYSA-N
-rxn:5:197876:226031:228586,CC(C)c1ncccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)cc1C(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,LLLGLEVHIYZQFO-UHFFFAOYSA-N
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-rxn:4:185402:222560,CCCOc1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2F)cc1S(=O)(=O)N1CC(C)CC(C)C1,FHBJCERLFPGIID-UHFFFAOYSA-N
-rxn:4:185407:224968,COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(C)ccc1OCC1CCCO1,GURMOBMIIMLSFH-UHFFFAOYSA-N
-rxn:4:185419:222645,CC(C)(C)OC(=O)N1CCOC(c2ccc(C3CC3)c(-c3cccc(OCCN4CCC(O)CC4)c3)c2)C1,WUEJSUUUCJXNLM-UHFFFAOYSA-N
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-rxn:4:187030:222545,CC(C)N(C(=O)c1ccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1)C(C)C,LNWXXAAKKSPCNO-UHFFFAOYSA-N
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-rxn:4:187168:223748,CC(C)(C)[Si](C)(C)OCc1cnccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,WZSCFKJQJOHFNK-UHFFFAOYSA-N
-rxn:4:187177:223867,CC1CCN(CCCOc2cccc(-c3ccc(OCC(=O)N4CCCC(C)C4)cc3)c2)CC1,UXCOZUQGJYWFKI-UHFFFAOYSA-N
-rxn:4:187190:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)CC1,FJJILAVXIPVCIE-UHFFFAOYSA-N
-rxn:4:187198:222462,COC(=O)c1cc(CN2CCCCC2)cc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)c1,ZVJACPVQMXDBOA-UHFFFAOYSA-N
-rxn:4:187207:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(Cl)c(C3CN(C(=O)OC(C)(C)C)C3)c2)cc1,VYPWGOQJOCDZPY-UHFFFAOYSA-N
-rxn:4:187231:224669,CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(CN3CCN(C)CC3)cc2F)cc1,YDSLFULLNNCJLF-UHFFFAOYSA-N
-rxn:4:187245:225208,COC(=O)c1cc(-c2cnc(N3CCCC(C)C3)nc2C)ccc1CN1CCC(F)(F)CC1,CASMMUIHOOMGHI-UHFFFAOYSA-N
-rxn:4:187249:225805,COC(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(CN2CCC(F)(F)CC2)c1,RHVFCRSZSUUMCU-UHFFFAOYSA-N
-rxn:4:187276:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,FVMRAULCLGSPJK-UHFFFAOYSA-N
-rxn:4:187276:228758,CSc1ncc(C)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,XPNWVDSQDIOPPU-UHFFFAOYSA-N
-rxn:4:187295:223866,Cc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2ccccc2CN2C(C)(C)CCCC2(C)C)c1,CMJSAKFFUREZEW-UHFFFAOYSA-N
-rxn:4:187315:224669,CCOc1ccc(CN2CCC(F)(F)CC2)cc1-c1ccc(CN2CCN(C)CC2)cc1F,WVENWTYENXTCEH-UHFFFAOYSA-N
-rxn:4:187327:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cccc([C@H]4COS(=O)(=O)N4C(=O)OC(C)(C)C)c3)cnc21,HJCBIRXEJCFCSJ-RUZDIDTESA-N
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-rxn:4:187366:224409,CC(C)Oc1cccc(-c2cc(OCC(F)(F)F)cc(C(F)(F)F)c2)c1CN1CCOCC1,UHOSDTJGEPAQCH-UHFFFAOYSA-N
-rxn:4:187379:223939,CC1CCN(C(=O)CS(=O)(=O)c2ccccc2-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)CC1,DLCHEBDARAOQOL-UHFFFAOYSA-N
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-rxn:4:187420:224744,Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(Cl)c(C(=O)OC(C)(C)C)cc1F,NGQXPKNRMYKGIK-UHFFFAOYSA-N
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-rxn:4:187447:225711,COC(COc1ccc(-c2ccccc2CCC(=O)N2CCC3(CC2)CC3(F)F)cc1)OC,RRWLOUQHEHVOKX-UHFFFAOYSA-N
-rxn:4:187474:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)c2)C1,CSJULNYNKBBTKP-UHFFFAOYSA-N
-rxn:4:187487:224818,CCC1CCCCN1S(=O)(=O)c1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)ccc1OC,YODSAOOZRXLORV-UHFFFAOYSA-N
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-rxn:4:187506:222889,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3cc(F)cc(CN4CCNCC4)c3)c(F)c2)C1,PWAQGOMDQDSXNK-UHFFFAOYSA-N
-rxn:4:187535:223958,CCN1CCN(C(=O)c2ccc(-c3ccccc3Oc3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc2F)CC1,ADZXSAIQTJEPBS-UHFFFAOYSA-N
-rxn:4:187581:226235,CCCCOc1ccc(-c2coc(C3CCN(C(=O)OC(C)(C)C)CC3C)c2)c(C)n1,VKZKLDBMOVJSAD-UHFFFAOYSA-N
-rxn:4:187621:224410,CN(CC1CCCCC1)C1(c2ccc(-c3ccc(OCC(F)(F)F)c(C(F)(F)F)c3)cc2)CC1,MGISRVWNXGJEAB-UHFFFAOYSA-N
-rxn:4:187656:226032,CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(-c2cc(OC)cc(C(F)(F)F)c2F)cc1C,VTCPUYKLOOGGSC-UHFFFAOYSA-N
-rxn:4:187658:226032,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2cc(OC)cc(C(F)(F)F)c2F)c(C)cc1C,FPQWKZCXOHEUDB-UHFFFAOYSA-N
-rxn:4:187658:226753,CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2ccc(OC)cc2C(F)(F)F)c(C)cc1C,FKQAVVXOTXCSHL-UHFFFAOYSA-N
-rxn:4:187662:224275,Cc1cc(-c2nn(C(=O)OC(C)(C)C)c3ccccc23)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1,PSFHWHKMIXCUIZ-UHFFFAOYSA-N
-rxn:4:187685:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(C(=O)c3cccc(CN4CCC5(CC4)OCCO5)c3)cc2)c1,CRADBYKHUBTMGG-UHFFFAOYSA-N
-rxn:4:187688:225801,O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(-c2ccnc(OC3CCCC3)c2Cl)c(F)c1,FZZQHCWMHPSTLK-UHFFFAOYSA-N
-rxn:4:187689:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc(CN4CCC5(CC4)OCCO5)cc3)c(F)c2)cc1,AYHRAVYCJWWQEE-UHFFFAOYSA-N
-rxn:4:187691:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(C(=O)c4cccc(CN5CCC6(CC5)OCCO6)c4)c(F)c3)c2)C1,XXBWKANLOYEJPO-UHFFFAOYSA-N
-rxn:4:187821:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cccc4c3CN(CC(=O)OC(C)(C)C)C4=O)c2)CC1,LNDFLVWQQJKVOR-UHFFFAOYSA-N
-rxn:4:187876:224587,COc1cc2c(cc1-c1ccc(CN3CCC(C)CC3)c(F)c1)CC(Cc1ncccc1C(F)(F)F)C2=O,IMDFJUOTHZRSQU-UHFFFAOYSA-N
-rxn:4:187944:226283,CC(C)COc1ccc(F)c(-c2ccc3c(c2)OCCCC3OCCN2CCOCC2)c1,DDFGNQKNTMFIBI-UHFFFAOYSA-N
-rxn:4:187963:225123,COc1ccc(C(C)N2Cc3cc(-c4ccncc4OCC4CCCCO4)ccc3OCC2=O)cc1OC,ZKSJTHMZWHCEPS-UHFFFAOYSA-N
-rxn:4:187968:222639,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc([C@H](C)NC(=O)OC(C)(C)C)cc3)ccc21,IDUQITWTUCBKOD-QHCPKHFHSA-N
-rxn:4:187968:224128,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccc(C(=O)N(C)C4CCCCC4)cc3)ccc21,GDCHSULPPONKFB-UHFFFAOYSA-N
-rxn:4:187973:222987,Cc1nc(C2CCNCC2)ccc1-c1ccccc1C(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2,GNGGAALRXQETQP-UHFFFAOYSA-N
-rxn:4:187985:225893,COCCOc1c(Cl)ccc(-c2ccc(C34CCOCC3N(C(=O)OC(C)(C)C)CC4)cc2)c1F,DMQZQVRGLBPYAB-UHFFFAOYSA-N
-rxn:4:188023:225295,COc1cccc(C2c3c(oc4ccc(-c5ccccc5S(=O)(=O)N5CCCC5)cc4c3=O)C(=O)N2CC2CCCO2)c1,ICLZYJFQYTXBSW-UHFFFAOYSA-N
-rxn:4:188863:223590,CON=Cc1c(OC)cccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C,KSVQPPBYKZAOLO-UHFFFAOYSA-N
-rxn:4:188934:223589,COC(=O)c1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C)cc(S(N)(=O)=O)c1F,QWSGOUHUABRSHO-UHFFFAOYSA-N
-rxn:4:189145:223995,CN1CCN(c2cc(-c3ccc(C(F)(F)F)cc3C(=O)N(C)C)cc(C(F)(F)F)c2)CC1,DCBJYDUWDLPGSM-UHFFFAOYSA-N
-rxn:4:189219:222439,O=C(ON1C(=O)CCC1=O)c1ccc(F)c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)c1,GRHAOCUNRHJUTG-UHFFFAOYSA-N
-rxn:4:189436:223507,CC(=O)N1CC(Oc2ccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1,VGLBUVCRJOETLO-UHFFFAOYSA-N
-rxn:4:189576:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3cc(OC4CCCC4)c([N+](=O)[O-])cc3F)cc21,AVJZNMMLCMOUSX-UHFFFAOYSA-N
-rxn:4:189603:222714,Cc1cccc(-c2cc(NC(=O)OC(C)(C)C)cc(F)c2F)c1C(=O)ON1C(=O)CCC1=O,RBPWEIZEHBTFDO-UHFFFAOYSA-N
-rxn:4:189780:223481,CN(Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)c(F)c1)C1CCC1,ICAQVSNIWLKHTO-UHFFFAOYSA-N
-rxn:4:189896:223755,COc1ccc(-c2ccc(OCCCN3CCC(C)CC3)c(F)c2)c(CN2CCCC2)c1,ZSVSPPNFJIQJNQ-UHFFFAOYSA-N
-rxn:4:189927:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cc(S(=O)(=O)N2CCCC2)ccc1OC,JIYQMVILWYAORH-UHFFFAOYSA-N
-rxn:4:190017:222723,COc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,NBTYAXVYCJFOIJ-UHFFFAOYSA-N
-rxn:4:190033:224325,C#Cc1ccc(-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)cc1N1CCCC(C(F)(F)F)C1,LYUPISWZEXHGNP-UHFFFAOYSA-N
-rxn:4:190035:222623,CCC(C)c1cc(-c2cc(CC(=O)N3CCC(F)(F)CC3)ccc2Cl)cc(C2CCNCC2)n1,KFOKTYGQDWEENI-UHFFFAOYSA-N
-rxn:4:190035:222884,CC(C)(C)NC(=O)c1cc(F)cc(-c2cc(CC(=O)N3CCC(F)(F)CC3)ccc2Cl)c1,XHGAHMYPYZYHDQ-UHFFFAOYSA-N
-rxn:4:190075:224778,O=C(c1ccc(-c2c(F)cc(OC3CCOCC3)cc2F)c(F)c1)N1CCCC(C(F)(F)F)C1,MYEGVZYUWSNJRQ-UHFFFAOYSA-N
-rxn:4:190142:224493,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cccc(CN3CCC(C(F)(F)F)CC3)c2)cc1,BKPLGZIVYXZXDU-UHFFFAOYSA-N
-rxn:4:190162:224669,COc1c(Cl)cc(C(=O)N2CCC(F)(F)CC2)cc1-c1ccc(CN2CCN(C)CC2)cc1F,ZXNZUWNSDQDAMW-UHFFFAOYSA-N
-rxn:4:190173:227540,COc1c(F)cc(SC)cc1-c1cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c(F)cc1F,JZKJSQCFGAYEPG-UHFFFAOYSA-N
-rxn:4:190216:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1,LLOYQFPFDWFSJB-UHFFFAOYSA-N
-rxn:4:190323:224330,CC(C)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(=O)CC3)c2)ccc1C(=O)N1CCSCC1,IZYFBXBIQPCIDQ-UHFFFAOYSA-N
-rxn:4:190342:222913,CC(c1ccccc1-c1ccc(CNS(=O)(=O)C2CC2)cc1)N1CCCC(C(F)(F)F)C1,MGSUKTJYEFCBEV-UHFFFAOYSA-N
-rxn:4:190346:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2cc(C)cc(CN3CCC(C(F)(F)F)CC3)c2)c1,FSGYCNFAOHZSHH-UHFFFAOYSA-N
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-rxn:4:193879:223951,CN1CCN(CCOc2ccc(-c3cc(C(=O)N4CCC5(CC4)CC5)ccc3F)cc2F)CC1,VYMQSTXUQSGXDL-UHFFFAOYSA-N
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-rxn:4:194750:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2C3CCC2CC(=C2CC2)C3)CC1,BILILKFGVNOTDK-UHFFFAOYSA-N
-rxn:4:194752:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(-n4c(-c5ccccc5)cc5c4CCCC5=O)cc3)ccc2F)CC1,MMNDJHYRROIYRO-UHFFFAOYSA-N
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-rxn:4:194766:224286,O=C1OC2(CCCN(C(=O)c3ccccc3-c3ccc(OCCN4CCOCC4)c(Cl)c3)C2)c2ccccc21,GFTUEHQZSINNLK-UHFFFAOYSA-N
-rxn:4:194798:222465,Cc1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4)C(=O)C23)cc1,KSKLZYBAWHMOOS-UHFFFAOYSA-N
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-rxn:4:194853:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2ccc3c(c2)c2c(n3CC3CCCCC3)CCCC2)c1,DOEPHKOMJDPHDN-UHFFFAOYSA-N
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-rxn:4:196580:223542,CN1CCN(S(=O)(=O)c2cc(-c3cccc(C4(C)OCCO4)n3)ccc2OC(F)(F)F)CC1,ARLIOWPZYZLUDX-UHFFFAOYSA-N
-rxn:4:196714:223541,O=C1CCOCC1c1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)n1,IJPUNUQEPHINKF-UHFFFAOYSA-N
-rxn:4:196993:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2ccc(N3CCCCS3(=O)=O)cc2)C1,BVLNPVDFJGQCGR-UHFFFAOYSA-N
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-rxn:4:197156:223492,CC(=O)c1nc2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)ccc2o1,DXXBSESUQZTLPU-UHFFFAOYSA-N
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-rxn:4:197953:224740,CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2cccc3c2CCC3N2CCC(F)(F)CC2)c1,GXNRMDUIBYMVLG-UHFFFAOYSA-N
-rxn:4:197958:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2cccc3c2CCCC3N2CCOCC2)cc1,RXUUYSQBFLKYCP-OEPVSBQMSA-N
-rxn:4:197986:224586,CC1CCN(Cc2ccc(F)cc2-c2cccc3c2CCCC3N2CCCCC2C)CC1,ITVBYEPDVPOCND-UHFFFAOYSA-N
-rxn:4:199492:222646,CCOC(=O)C(CC(C)C)n1cc(-c2c(C)cc(NC(=O)OC(C)(C)C)cc2C)cn1,SXHRJUBQAMEAMS-UHFFFAOYSA-N
-rxn:4:199499:224609,CC(C)N(C(=O)c1ccncc1-c1ccnc(N(CC(F)F)C(=O)OC(C)(C)C)c1)C(C)C,AVTATUIDXZCORY-UHFFFAOYSA-N
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-rxn:4:199525:223189,CCC(C(=O)OC(C)(C)C)n1cc(-c2ccc(NS(C)(=O)=O)cc2F)c(C(F)(F)F)n1,XWWZRNMLXYHKAY-UHFFFAOYSA-N
-rxn:4:199536:224493,CCN(Cc1ccc(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cn1)C(=O)OC(C)(C)C,VGDXJLLRUYNZEZ-UHFFFAOYSA-N
-rxn:4:199539:225882,CCCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cnc(Cl)c(C3CCOCC3)c2)cc1,VSAJGZAGUYAWRM-UHFFFAOYSA-N
-rxn:4:199548:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CC3)cn2)cc1,HHSOLZKVYRQCOJ-UHFFFAOYSA-N
-rxn:4:199574:226241,COC(=O)CCc1cccc(-c2cc([N+](=O)[O-])ccc2OCCN2CCCC(C(F)(F)F)C2)c1,WVHAHFDSCISIIY-UHFFFAOYSA-N
-rxn:4:199614:223900,CC(C)(C)[Si](C)(C)OCCc1ccc(-c2ccc(OC3CCN(C(=O)c4cccc(OC(F)(F)F)c4)C3)nc2)cc1F,YMJCVBHAWRRVMY-UHFFFAOYSA-N
-rxn:4:199654:223805,CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccccc3OCc3ccc(C(F)(F)F)cc3)ccc2OC)CC1,RZQMPEYRORUPAE-UHFFFAOYSA-N
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-rxn:4:202010:222783,CC(C)(C)OC(=O)Nc1cc(-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)ccc1Cl,MLQOXGPXRPCNPU-UHFFFAOYSA-N
-rxn:4:202017:222937,COc1cc(-c2ccc(C(=O)NCC(F)(F)F)cc2)cc(OC)c1C(=O)N1CCN(C)CC1,FXCYBGGWBRIBMD-UHFFFAOYSA-N
-rxn:4:202021:223996,CN1CCN(c2ccc(-c3cncc(C4COCCN4C(=O)OC(C)(C)C)c3)c(C(F)(F)F)c2)CC1,GETVATMTZGCVIA-UHFFFAOYSA-N
-rxn:4:202069:226828,Cc1cc(Cl)c(-c2cncc(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)cc1C(F)(F)F,AFVHVMBOOLEHBE-UHFFFAOYSA-N
-rxn:4:202103:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccncc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,QYZSZDJNGLYKMU-LJQANCHMSA-N
-rxn:4:202107:222845,CC(c1ccc(-c2ccnc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1)N1CCNCC1,AHNUFEXMVRRPMA-UHFFFAOYSA-N
-rxn:4:202130:225274,COCCOc1c(F)cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2F)c(C)c1F,WTQSUUKQJYWNFU-UHFFFAOYSA-N
-rxn:4:202140:223009,CC(C)(C)OC(=O)N1CCN(c2cc(F)cc(-c3cc(Cl)cc(C4CCNCC4)c3)c2)CC1,ZPPKZBCIGHETAK-UHFFFAOYSA-N
-rxn:4:202161:223743,COc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(C)c(OCCCN2CCC(C)CC2)c1,UJXKRTHGFZMVBV-UHFFFAOYSA-N
-rxn:4:202178:223591,Cc1cccc(OC2CCN(C(=O)c3ccccc3-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3F)CC2)n1,OCTMOYPNPCHRGI-UHFFFAOYSA-N
-rxn:4:202196:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnccc1OC1CCN(CC2CCS(=O)(=O)CC2)C1,GNYYRSMAFLYJGD-UHFFFAOYSA-N
-rxn:4:202201:222543,CC(C)(C)OC(=O)NC1(c2ccc(-c3cccc(CN4CCOC(C(=O)N5CCOCC5)C4)c3)cc2)CC1,GJZPOJPKZHSSIP-UHFFFAOYSA-N
-rxn:4:202226:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)cc(C)n1,QYDJHPNEOVDWRA-UHFFFAOYSA-N
-rxn:4:202276:222909,CC(C)(C)OC(=O)Nc1cc(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCC3)c2)ccn1,UIUZNNMFTZNFKN-UHFFFAOYSA-N
-rxn:4:202284:224957,COc1ccc(-c2ccccc2O[Si](C)(C)C(C)(C)C)cc1CN1CCC(N2CCCC2)CC1,QAQTUDPUDAQBAQ-UHFFFAOYSA-N
-rxn:4:202315:222862,CCCCNC(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)cc1F,KPLOSWIVUPFWKX-UHFFFAOYSA-N
-rxn:4:202327:224762,CN(Cc1ccc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)cc1N1CCOCC1)C1CCCCC1,KOWVTRICUIKRNG-UHFFFAOYSA-N
-rxn:4:202328:222693,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)CC1,PLCCUDFRJUBNKO-UHFFFAOYSA-N
-rxn:4:202337:227211,CCCCSc1ccc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(C)cc3)o2)cn1,BVIZCIAIOYXOSF-UHFFFAOYSA-N
-rxn:4:202407:223500,CCOC(=O)c1cnn2ccc(OC)c(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c12,ARGFOMHZSIKUBM-UHFFFAOYSA-N
-rxn:4:202458:223898,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2cc3c(C(F)F)cn(C(=O)OC(C)(C)C)c3cn2)cc1,IJQPHNFCOOZORF-UHFFFAOYSA-N
-rxn:4:202540:224627,CCOC(=O)c1cnc2c(-c3ccc(C(=O)N4CC(N(C)C)C4)cc3)cccc2c1N1CCOCC1,QONLPHWSXPKSNX-UHFFFAOYSA-N
-rxn:4:202560:223891,C#CCn1c(=NC(=O)C2CCCCC2)sc2cc(-c3c(F)ccc4c3ccn4[Si](C)(C)C(C)(C)C)ccc21,NJKRDIRDMVNSBK-UHFFFAOYSA-N
-rxn:4:202592:224877,CC(C)(C)[Si](C)(C)OCc1nn2c(c1-c1ccc(COC3CCCCC3)cc1)CCC2,FOMCOJPXGWGIDY-UHFFFAOYSA-N
-rxn:4:202607:224970,CCOC(=O)c1cnc2c(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cccc2c1N1CCC(F)(F)CC1,DQBZHOACLYVWKV-UHFFFAOYSA-N
-rxn:4:202674:223583,COC(=O)c1ccc2c(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3)cn(C(=O)OC(C)(C)C)c2c1,MTSMXHHUMNWVHB-UHFFFAOYSA-N
-rxn:4:202676:224022,CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21,SKTAFKMXVFASJR-UHFFFAOYSA-N
-rxn:4:202680:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2Cl)c1,KLUYYUYXDWOFKI-UHFFFAOYSA-N
-rxn:4:202685:224405,O=C(CCn1ccc2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)ccc21)N1CCC2(CC1)OCCO2,RRDBIWRUNLBBIZ-UHFFFAOYSA-N
-rxn:4:202692:225850,COc1ccc(-c2cnc(-c3cccnc3)c(Cl)c2)c(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,AQSVKIXGEMOBFD-UHFFFAOYSA-N
-rxn:4:202692:226477,CCCCOc1ncc(Cl)cc1-c1ccc(OC)cc1C(=O)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,OYFOMFIWGWUTFO-UHFFFAOYSA-N
-rxn:4:202703:225010,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(F)c(CN4CCCCC4)c3)ccc21,YJNPEPWKTIZDLE-UHFFFAOYSA-N
-rxn:4:202713:222496,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4ccc(S(=O)(=O)NCCc5ccccc5)cc4)ccc3C2=O)CC1,TYKKCUYTHFEWJT-UHFFFAOYSA-N
-rxn:4:202714:222824,Cc1cc(F)c(-c2ccc3cncc(C4CCCN(C(=O)OC(C)(C)C)C4)c3c2)cc1S(=O)(=O)NC(C)C,CDDDBVWOMUMXHB-UHFFFAOYSA-N
-rxn:4:202719:222796,Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccccc23)cc1,MXLTWUUJCYJKKY-UHFFFAOYSA-N
-rxn:4:202752:224758,O=C(c1ccc(-c2ccc(N3C(=O)C4ON(c5ccccc5)C(C=Cc5ccccc5)C4C3=O)cc2)cc1Cl)N1CCOCC1,SVFCZIWHTWSXDO-UHFFFAOYSA-N
-rxn:4:202771:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1,LIHJKVXJDVERMB-UHFFFAOYSA-N
-rxn:4:202800:223814,CC#Cc1cc2c(c(F)c1-c1ccc(CN3CCC4(CC3)OCCO4)cc1F)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,WUASSOGYFAIJCY-AREMUKBSSA-N
-rxn:4:202807:222857,COc1cc(-c2ccc(Sc3c(C)nn(C(=O)C45CC6CC(CC(C6)C4)C5)c3C)cc2)cc(C2CCNCC2)c1,DJULZTZBYSAAGQ-UHFFFAOYSA-N
-rxn:4:202807:224458,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(C(C)N3CCC(C)CC3)cc2)cc1,KXVBYCKTLWLTIX-UHFFFAOYSA-N
-rxn:4:202811:222758,Cc1cc(-c2cccnc2OC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)ccc1NC(=O)OC(C)(C)C,ISHASQBKMYPPGK-UHFFFAOYSA-N
-rxn:4:203534:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cncc(CC(=O)N4CCC(F)(F)C4)c3)ccc2F)CC1,IMVLHOSOEFUASL-UHFFFAOYSA-N
-rxn:4:203624:222543,COC(=O)c1c(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)c(C(C)(C)C)nn1C,XGKJMEGILDOHIS-UHFFFAOYSA-N
-rxn:4:203687:223873,CC1CCN(C(=O)CCc2ccccc2-c2cncc(CC(=O)N3CCC(F)(F)CC3)c2)CC1,WQPATNKPWYHBMO-UHFFFAOYSA-N
-rxn:4:203738:222721,COC1CCN(C(=O)c2ncc(-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)cc2Cl)CC1,HPQTVVVGOBQWPO-UHFFFAOYSA-N
-rxn:4:203895:224405,CCS(=O)(=O)N1CCN(c2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)CC1,DQTYDIFLUPCZJE-UHFFFAOYSA-N
-rxn:4:203917:222812,Cc1ccc(C2=NC(=Cc3cccc(-c4cnc(Cl)c(NC(=O)OC(C)(C)C)c4)c3)C(=O)O2)cc1[N+](=O)[O-],PBFLOJJUDIBTLF-UHFFFAOYSA-N
-rxn:4:203926:223980,CCN1CCN(c2cc(OC)cc(-c3cccc(S(=O)(=O)N4CCN(CC)CC4)c3)c2)CC1,JNPHVCVPHNBAFU-UHFFFAOYSA-N
-rxn:4:203935:225155,COc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1ccc(C(=O)N2CCOCC2)cc1,WUNWGTQOGADHRE-UHFFFAOYSA-N
-rxn:4:203969:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCN(C(C)C)CC3)c2F)cc1,PIKDWDSHGBOUOC-UHFFFAOYSA-N
-rxn:4:203977:224956,CC(C)(C)[Si](C)(C)Oc1cccc(-c2ccccc2C(=O)N2CCC(N3C(=O)CSC3=O)CC2)c1,AHKJYHKFPBKKFV-UHFFFAOYSA-N
-rxn:4:203985:224572,CC1CCCN(c2ccc(-c3ccccc3C(=O)N3CCC(N4C(=O)COC4=O)CC3)c(C#N)c2)C1,UXBQAAFBRWNYAY-UHFFFAOYSA-N
-rxn:4:203987:228203,CC(C)c1ccc(-c2ccc(Cl)c(C(=O)N3CCC(N4C(=O)COC4=O)CC3)c2)c(Cl)n1,JMCPQHLUYUARNP-UHFFFAOYSA-N
-rxn:4:204026:222693,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1,QDUROYJQDZQWFL-UHFFFAOYSA-N
-rxn:4:204027:225311,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1ccccc1-c1cc(C(F)(F)F)c(C2CC2)cc1Cl,VADWYGREZNNLTD-HNNXBMFYSA-N
-rxn:4:204033:225364,Cc1cc(F)c(-c2ccc(Cl)c(C(=O)N3CCC(N4CCCC4)C3)c2)cc1S(=O)(=O)N(C)C,JCBVLUZTQAVCAS-UHFFFAOYSA-N
-rxn:4:204046:222819,O=C(Nc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3C(=O)CSC3=O)CC2)cn1)N1CCOCC1,COLBKCYOZPWXAY-UHFFFAOYSA-N
-rxn:4:204063:224805,CCOC(=O)c1cc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2C)cc(C(F)(F)F)c1,CWBVIZOKCOMJBE-UHFFFAOYSA-N
-rxn:4:204064:224188,Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1-c1ccc(C(=O)N(C(C)C)C(C)C)cc1Cl,VXBLOQIKUHAUPH-UHFFFAOYSA-N
-rxn:4:204098:224970,CCN1CCN(S(=O)(=O)c2cc(C)c(C)cc2-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)CC1,SCMKBHVZYVWITD-UHFFFAOYSA-N
-rxn:4:204115:225433,O=S(=O)(c1ccccc1-c1ccc(CSC2CCCC2)cc1)N1CCCN(C2CCC2)CC1,IFIKVOCZMDPKMH-UHFFFAOYSA-N
-rxn:4:204118:223137,O=C(c1ccccc1-c1cncc(C2CCCNC2)c1)N1CCCN(C2CCSC2)CC1,RLKCZAROHDXASN-UHFFFAOYSA-N
-rxn:4:204118:224248,CC1CCN(C(=O)c2ccc(-c3ccccc3C(=O)N3CCCN(C4CCSC4)CC3)cc2Cl)CC1,HJAIOLMTCXJSNY-UHFFFAOYSA-N
-rxn:4:204121:227271,CCOc1cc(OC)cc(-c2ccc(Cl)c(C(=O)N3CCCN(C4CCOC4)CC3)c2)c1,UGGLVCIYGWOKFZ-UHFFFAOYSA-N
-rxn:4:204129:224393,O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(-c3cc(C(F)(F)F)ccc3N3CCOCC3)cc2)=NC12CCCC2,WXUJQEWORZSCFD-UHFFFAOYSA-N
-rxn:4:204135:223093,CC(C)S(=O)(=O)Nc1cncc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c1,PPZFICLNNLKFCR-UHFFFAOYSA-N
-rxn:4:204146:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCCCC2)c(N2CCCCC2)c1,CFZHMWVWHHVFTR-UHFFFAOYSA-N
-rxn:4:204163:222582,O=C(NCCN1CCOCC1)c1cccc(-c2ccc(C(=O)N3C(=S)C(c4ccccc4)=NC34CCCCC4)cc2)c1,WPKXEORUGKHCNY-UHFFFAOYSA-N
-rxn:4:204350:223812,COCn1ncc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1C12COCC1O2,JJIXTAMJQCOZCS-UHFFFAOYSA-N
-rxn:4:204491:224018,CC(C)(C)OC(=O)c1nc2n(c1-c1cc(F)c(F)cc1S(=O)(=O)N1CCOCC1)CCC2,QMMQWRRSJMRCAV-UHFFFAOYSA-N
-rxn:4:204605:224405,CC1CN(C(=O)OC(C)(C)C)c2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cc21,YVUTXHZEJCIUEG-UHFFFAOYSA-N
-rxn:4:204607:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc3ccn(CC(=O)N4CCC(=O)CC4)c3c2)c1,OUGJWMOPLUKJOY-UHFFFAOYSA-N
-rxn:4:204610:224283,COC(=O)c1cccc2c1c(-c1cnc(OC(C)(C)C)nc1OC(C)(C)C)nn2C1CCCCO1,FNGNYDMDWIOEHM-UHFFFAOYSA-N
-rxn:4:204683:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3c(c2)N(C(=O)OC(C)(C)C)CC3(C)C)c(F)c1,OETQUKKQNRKQLV-UHFFFAOYSA-N
-rxn:4:204691:226715,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cnn(C(=O)OC(C)(C)C)c3)ccc21,CDZBZZXFJQIEBS-UHFFFAOYSA-N
-rxn:4:204695:224848,CC[C@H]1CC[C@H](c2ccc(-c3cccc(C4C(C(=O)OC)=C(C)N=C5SC(C)C(=O)N54)c3)cc2)CC1,USTDMCLROJLZNW-WAMUFOAXSA-N
-rxn:4:204708:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3c(c2)sc(=NC(=O)c2ccc(S(C)(=O)=O)cc2)n3C)CC1,BBLZSPGWZZGFEV-UHFFFAOYSA-N
-rxn:4:204736:224179,CC(=O)N1CC(C)(C)c2nc(-c3ccc(OCCN4CCN(C)CC4)cc3)c(Cc3ccc(F)cc3)cc21,SPZUNHACTATOFX-UHFFFAOYSA-N
-rxn:4:204740:226499,CCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cccn3C(=O)OC(C)(C)C)ccc21,YXEZSFBAYDQFPE-UHFFFAOYSA-N
-rxn:4:204780:223190,CNS(=O)(=O)c1ccc(F)cc1-c1ccc(S(=O)(=O)N2CC(N3CC4CCCC4C3)C2)cc1,DCMPXDHCHCQYDR-UHFFFAOYSA-N
-rxn:4:204804:225510,COc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)c2ccc(C)nc12,LNPWYPAAFHOOIJ-UHFFFAOYSA-N
-rxn:4:204809:222552,O=C(NCc1ccccc1)c1ccc(-c2cccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(F)cc43)c2)cc1F,PCNKMBAMLSVDMA-UHFFFAOYSA-N
-rxn:4:204846:226708,Cc1ccc(C)c(N2C(=O)N(Cc3ccc(-c4cc(C5OCCO5)ccc4Cl)cc3F)C3CS(=O)(=O)CC32)c1,SEMRHWZSPOCWSQ-UHFFFAOYSA-N
-rxn:4:204860:226896,COCn1cc(-c2ccc(OC)cc2C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c(C(F)(F)F)n1,YIPYRSOWRLBOQO-UHFFFAOYSA-N
-rxn:4:204864:227474,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)ccc1-c1ccc(CC[N+](=O)[O-])cc1,HNOTWNBDVOLICS-UHFFFAOYSA-N
-rxn:4:204875:227765,O=C1C2C(c3ccc(-c4ccn(CCC(F)(F)F)n4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc([N+](=O)[O-])cc1,IGWACYHSYNTBKT-UHFFFAOYSA-N
-rxn:4:204944:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc2c(c1)C1CC(c3ccco3)=NN1C(c1ccc(C(C)C)cc1)O2,PEUJOXCZWIQOHS-UHFFFAOYSA-N
-rxn:4:204960:223815,CCOc1cc2c3c(c1)-c1c(sn(-c4ccc(-c5ccc(Cl)c(CN6CCC7(CC6)OCCO7)c5)cc4)c1=S)C(C)(C)N3C(=O)C2=O,DJXCLMDXCJIKOW-UHFFFAOYSA-N
-rxn:4:205897:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3nc(C(=O)N4CCOCC4)cs3)c2)CC1,BTTJYCFMBFCXGN-UHFFFAOYSA-N
-rxn:4:205897:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2nc(C(=O)N3CCOCC3)cs2)CC1,XENCRHLYJKFCRO-UHFFFAOYSA-N
-rxn:4:206431:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(Cl)c(C(=O)N4CCOCC4)c3)ccn2)CC1,DVFHNQZALOTJGB-UHFFFAOYSA-N
-rxn:4:206436:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(C(=O)N2CCOCC2)cnc1Cl,KBXWXWFFDNEVIM-UHFFFAOYSA-N
-rxn:4:206439:222584,O=C(c1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1F)N1CCOCC1,IPWFNPCIFIMYKH-UHFFFAOYSA-N
-rxn:4:206694:223541,CS(=O)(=O)N1CCCC1c1cccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)n1,HOGXARTVDMJAPP-UHFFFAOYSA-N
-rxn:4:206705:223892,CC1COCCN1C(=O)c1cncc(-c2ccc(OCCCN3CCN(C)CC3)cc2)c1,OEDCCNNHQVGVPU-UHFFFAOYSA-N
-rxn:4:206714:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(C2CCCN2S(C)(=O)=O)nc1,VNKQASSLUSDIHP-UHFFFAOYSA-N
-rxn:4:206764:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cnc(N3CCCC(C(F)(F)F)C3)c(F)c2)c(C(F)(F)F)c1,ISUFSKWGHGVGKR-UHFFFAOYSA-N
-rxn:4:206848:222511,N#Cc1c(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)cccc1N1CCCCCC1,AENYAVOUVVJYPG-UHFFFAOYSA-N
-rxn:4:206948:223588,Cc1cc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,FCGBIIZFLYIEOG-UHFFFAOYSA-N
-rxn:4:206962:222432,CS(=O)(=O)N1CCCC(c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)C1,ATNJJGDBHFXPEB-UHFFFAOYSA-N
-rxn:4:206994:224018,CC(C)N1CCOC(c2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)n2)C1,KDXJBDWRDCGQKE-UHFFFAOYSA-N
-rxn:4:207079:224716,Cc1cc(C(=O)N2CCN(C)CC2)cc(C)c1-c1ccc(N(C)C(=O)OC(C)(C)C)nc1,AMALYGRJFHQLRQ-UHFFFAOYSA-N
-rxn:4:207085:224431,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1c(C)cccc1CN(C(C)C)C(C)C,XVOLOROJAACMIU-UHFFFAOYSA-N
-rxn:4:207085:224780,Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C2CCOC2)c(C(F)(F)F)c1,UPWBRUXNFSLDLX-UHFFFAOYSA-N
-rxn:4:207275:223918,CN(C(=O)c1ccc(F)c(-c2ccc3c(c2)C(=O)CC3=C(C#N)C#N)c1)C1CCCCC1,LFNLYDOLDJOHKB-UHFFFAOYSA-N
-rxn:4:207739:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cnc3c(ccn3CC3CCCCC3)c2)C1,UZINWAXQFGJCKZ-UHFFFAOYSA-N
-rxn:4:208756:223493,CCc1nc(C)cc(-c2cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C)n1,UGHPBRFWQQSKOX-UHFFFAOYSA-N
-rxn:4:209214:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc(N4CCOCC4)n3)cc2Cl)CC1,SUXQRFCVFHNPMQ-UHFFFAOYSA-N
-rxn:4:209219:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cccc(N=S(C)(C)=O)n3)c(F)c2)CC1,WAFPGGFUGWIZID-UHFFFAOYSA-N
-rxn:4:209220:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccncc2N2CCSC2)CC1,QZLBENFQSPJEMJ-UHFFFAOYSA-N
-rxn:4:209526:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C3COCCC3=O)nn2)CC1,OQVXIANOLFNIQO-UHFFFAOYSA-N
-rxn:4:209558:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cncc(N4CCOCC4=O)c3)cc2F)CC1,SGFYBUSVZSVOAQ-UHFFFAOYSA-N
-rxn:4:209886:223474,Cc1cc(N2CCCCCC2)ncc1-c1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1,OMMIWWDJUSYNHY-UHFFFAOYSA-N
-rxn:4:209895:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2ccc(N3CCC4(CC3)OCCO4)nc2)c1,HCMAZEKPFLIJCJ-UHFFFAOYSA-N
-rxn:4:210592:223588,CC(=O)N1CCOc2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)cnc21,WYBHXHDZOVNAHJ-UHFFFAOYSA-N
-rxn:4:210976:222465,c1cc(N2CC3CCCC3C2)c(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cn1,XKXNHDFAHGNFQD-UHFFFAOYSA-N
-rxn:4:211096:224063,CC1CCCN(c2cc(-c3ccc4c(c3)C3CC(c5ccccc5)=NN3C3(CCCC3)O4)cc(C3CC3)c2)C1,JBPLZLNVVYNRTO-UHFFFAOYSA-N
-rxn:4:211271:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1nc(C)n(C)c1C,SUAMUQHMJVXQII-UHFFFAOYSA-N
-rxn:4:212492:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc2c(c1)CCc1cccnc1C2=C1CCN(C)CC1,OWMMWYFLZZRJMW-UHFFFAOYSA-N
-rxn:4:212511:224317,CN1CCN(C(=O)c2ccc(-c3cnn(CC4CN(C(=O)CCC(F)(F)F)C4)c3)c(F)c2)CC1,CAOFQEHMTWKZCQ-UHFFFAOYSA-N
-rxn:4:212569:222541,O=C(NCCN1CCCCC1)c1ccc(-c2cnn(CC3CN(C(=O)CSC4CCCC4)C3)c2)cc1,YARKGKFLRVCBMI-UHFFFAOYSA-N
-rxn:4:212584:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C(C)C)c1,MCIBURSRIGMAPE-UHFFFAOYSA-N
-rxn:4:212592:222967,CC(C)CNC(=O)c1cccc(-c2cccc(CCCC3(C(=O)N(C)C)CCN3C)n2)c1,SYMXYMBLCIDZHS-UHFFFAOYSA-N
-rxn:4:212599:224718,CCSc1ccccc1C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)C1,RLRFDGDHUOVHSE-UHFFFAOYSA-N
-rxn:4:212606:223049,CC(C)CC(=O)N1CCCC(COc2ncc(-c3ccc(C(=O)NC4CC4)cc3F)cn2)C1,NNBUUHSMIRYJBC-UHFFFAOYSA-N
-rxn:4:212619:222852,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3cccc(CN4CCC(O)CC4)c3)cn2)C1,ALLNVQAPZBPIOJ-UHFFFAOYSA-N
-rxn:4:212622:225305,O=C(Cc1ccc(F)cc1)N1CCCC(COc2ncc(-c3cnc(C4CCC4)c(C(F)(F)F)c3)cn2)C1,YXRZENNZFGVWLV-UHFFFAOYSA-N
-rxn:4:212628:226844,O=C(Cc1cccc(C(F)(F)F)c1)N1CCCC(Oc2ncc(-c3ccnc(C(=O)C(F)(F)F)c3)cn2)C1,FOBLQIBCTHWRDY-UHFFFAOYSA-N
-rxn:4:212629:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cncc(C(=O)N4CCC(COc5cccc(C(F)(F)F)n5)CC4)c3)cc2F)CC1,MVGIALXCJVLEKW-UHFFFAOYSA-N
-rxn:4:212649:222948,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3cnc(N4CCC(O)CC4)nc3Cl)cn2)C1,QMYMVGBIMIIRNR-UHFFFAOYSA-N
-rxn:4:212660:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cnc(OCC4CCN(Cc5cccc(OC)c5)CC4)nc3)c2)C1,WIRBNWYWBIMDOM-UHFFFAOYSA-N
-rxn:4:212663:222470,COC(=O)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cccc(C(=O)NCc2ccc(OC)cc2)c1,YNHAMQCJGQYAAF-UHFFFAOYSA-N
-rxn:4:212667:222442,COc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC5CCCC5)c5ccccc45)cn3)C2)cc1,NHWPXHVVEAOLFB-UHFFFAOYSA-N
-rxn:4:212692:225522,CCCCOc1cc(OC)cc(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1,OBKSDJMGEBZVPH-UHFFFAOYSA-N
-rxn:4:212696:223891,CC(C)(C)[Si](C)(C)n1ccc2c(-c3ccc(C(=O)N4CCC(COc5ccc(C6CC6)nn5)CC4)cc3)c(F)ccc21,MTUCZQSRSZPATE-UHFFFAOYSA-N
-rxn:4:212738:226577,CN(C)C(=O)c1cc(Cl)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(N3CCOCC3)c2)c1,BURNZHPKPCBEHE-UHFFFAOYSA-N
-rxn:4:212739:225187,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(Cl)ccc3CN3CCOCC3)cc2N2CCCCC2)CC1,UMZVNSKZMXAUHE-UHFFFAOYSA-N
-rxn:4:212754:222540,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)ccc21,CHAMAUQLKDXKQH-UHFFFAOYSA-N
-rxn:4:212799:225939,CC(C)c1cc(-c2ccc3nc(N(CCN(C)C)C(=O)C4CCCCC4)sc3c2)cnc1C(F)(F)F,AXLOZHHWBOXQBH-UHFFFAOYSA-N
-rxn:4:212814:228241,CC(=O)c1cc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)ccc1F,LDVCCDSSTSZQGD-UHFFFAOYSA-N
-rxn:4:212827:227464,CCCCSc1ncc(-c2ccc3[nH]c(C(=O)N4CCC(N(C)C(=O)OC(C)(C)C)CC4)cc3c2)cn1,YVZWHDHAESCGRH-UHFFFAOYSA-N
-rxn:4:212839:226551,CCOc1cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc(Cl)c1OC,JLASMFXLFJKQFL-UHFFFAOYSA-N
-rxn:4:212902:224731,CN(Cc1nn(C)cc1-c1cccc(S(=O)(=O)OCC(C)(C)C)c1)C(=O)OC(C)(C)C,YVLFDVUEKXLJBP-UHFFFAOYSA-N
-rxn:4:212908:224764,CCOC(=O)N1CCCC(Oc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3F)cn2)C1,LETNEBQYKGRNTG-UHFFFAOYSA-N
-rxn:4:212938:223508,CCC(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,QVVHXVBOTGNYOV-UHFFFAOYSA-N
-rxn:4:212989:225975,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccnc(N4CCOCC4)c3Cl)s2)CC1,MMQLWDUURNXTNI-UHFFFAOYSA-N
-rxn:4:212991:226728,O=S(=O)(C1CC1)N1CCC(COc2ncc(-c3ccc(OCC(F)F)cc3F)cn2)CC1,GTUXSTHMSOBYTL-UHFFFAOYSA-N
-rxn:4:213013:223998,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)c(F)c3)cn2)CC1,OUMQXPNZJOWWTI-UHFFFAOYSA-N
-rxn:4:213022:223697,N#Cc1cccnc1OC1CCN(C(=O)c2ccccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2C(F)(F)F)CC1,YBQIVTCYGSGYMU-UHFFFAOYSA-N
-rxn:4:213023:224289,CN(C(=O)OC(C)(C)C)c1ccc(-c2cccnc2OC2CCN(C(=O)c3cccc(C#N)c3)CC2)c(F)c1,FOSUIOZBQVDRRD-UHFFFAOYSA-N
-rxn:4:213066:222431,O=C(c1ccc(-c2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,NXPMCNUMBUTYDM-UHFFFAOYSA-N
-rxn:4:213066:227251,CCCOc1ccc(F)cc1-c1ccc(C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)o1,MNOZSFTWSMWXQM-UHFFFAOYSA-N
-rxn:4:213075:227464,CCCCSc1ncc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)n2)cn1,UMCADUDIVQHBFD-UHFFFAOYSA-N
-rxn:4:213079:227464,CCCCSc1ncc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cn1,YFHHNNBHYRAVHW-UHFFFAOYSA-N
-rxn:4:213123:224608,COC(=O)c1cc(OCC2CC2)cc(-c2ccccc2CC(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1,LSIAWSHFLGTOKT-UHFFFAOYSA-N
-rxn:4:213130:225975,CC(C)(C)OC(=O)N1CCN(Cc2cncc(-c3ccnc(N4CCOCC4)c3Cl)c2)CC1,ITZDHNBKAGTBJW-UHFFFAOYSA-N
-rxn:4:213135:223997,Cc1cc(-c2cnc(OC3CCN(C(=O)CC(C)(C)C)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,OWEVGAKMBXUVOA-UHFFFAOYSA-N
-rxn:4:213135:225984,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,UFXLNKSZJBJDCZ-UHFFFAOYSA-N
-rxn:4:213143:224287,CCN(CC)S(=O)(=O)c1c(C)cc(-c2ccc([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C,RRXAVOOXTXCPDT-UHFFFAOYSA-N
-rxn:4:213144:225095,CCOC(=O)c1ccc(OCC)c(-c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,XBJXAKGRNVTCLE-UHFFFAOYSA-N
-rxn:4:213161:224319,COc1cccc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C)cn3)CC2)c1,UBJZDKVEBQWAFF-UHFFFAOYSA-N
-rxn:4:213191:224489,CC(C)N(Cc1ccc(F)cc1-c1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cn1)C(C)C,ZJXXAUYPNZECFW-UHFFFAOYSA-N
-rxn:4:213196:223508,O=C(C1CCOCC1)N1CCCC(COc2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,YSUFMMBAIFNNDS-UHFFFAOYSA-N
-rxn:4:213197:223527,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)C2=O)CC1,OVRZYPCKVNXACV-UHFFFAOYSA-N
-rxn:4:213222:225313,CN1CCN(c2ccc(-c3ccc(C(=O)N4CCN(Cc5nc(C(C)(C)C)cs5)CC4)o3)c(F)n2)CC1,CVGBDPZOCFQSQH-UHFFFAOYSA-N
-rxn:4:213226:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)c2)CC1,XZJKPAPCMLRJMT-LJAQVGFWSA-N
-rxn:4:213239:222802,Cc1ccc(-c2cncc(C(=O)N3CCN(C(=O)C4CC4c4ccc(F)cc4)CC3)c2)c(S(=O)(=O)NC(C)(C)C)c1,DJXGKSZDZJYMTC-UHFFFAOYSA-N
-rxn:4:213246:222833,Cc1ccc(=O)n(CC2CCN(C(=O)Cc3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc3)CC2)n1,MNSWUSJCWIFXJV-UHFFFAOYSA-N
-rxn:4:213248:223809,COc1ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)c(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1,SJUDHFOXDJDNEE-UHFFFAOYSA-N
-rxn:4:213264:222584,O=C(Cc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,VMEKGABBYNQMIM-UHFFFAOYSA-N
-rxn:4:213274:224288,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(-c3ccc(=O)n(CC(=O)N4CCOC(c5ccccc5)C4)n3)cc2)c(Cl)c1,DCAITRCJPWFERU-UHFFFAOYSA-N
-rxn:4:213280:224669,CN1CCN(Cc2ccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)c(N4CCCCC4)c3)c(F)c2)CC1,KJBNAZQHIAXNHJ-UHFFFAOYSA-N
-rxn:4:213336:223162,CNC(=O)c1ccc(OC)c(-c2nc(C(=O)OC)c3n2CCN(C(=O)OC(C)(C)C)CC3)c1,KTXVNHLVMSWNJU-UHFFFAOYSA-N
-rxn:4:213396:223698,O=C(Cn1ccc2cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCCC4)c3)ccc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,NSNSHJHICGHVSO-UHFFFAOYSA-N
-rxn:4:213401:222779,COc1ccc(N2CCN(C(=O)Cn3ccc4ccc(-c5ccncc5CNC(=O)OC(C)(C)C)cc43)CC2)cc1,SXKNATFJXYXTKY-UHFFFAOYSA-N
-rxn:4:213406:225279,CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(-c4c(C)nn(C(=O)OC(C)(C)C)c4C)cc3s2)CC1,VKBXZXRQRGESHK-UHFFFAOYSA-N
-rxn:4:213424:223508,O=C(c1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc1)N1CCC(COc2cc3c(nn2)CCCC3)CC1,USFXTDPTELSAIO-UHFFFAOYSA-N
-rxn:4:213439:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3cccc4c3ccn4CC(=O)N3CCN(C(=O)C4COc5ccccc5O4)CC3)ccc21,GJXAOMQDWLTGRX-UHFFFAOYSA-N
-rxn:4:213481:223005,COC12CC(COC(=O)c3cncc(-c4ccc(C5CCNCC5)c(Cl)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,JYRRJFRXIHEBAS-UHFFFAOYSA-N
-rxn:4:213582:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnn(CC3CCN(CC(F)(F)F)C3)c2)CC1,JMXGHBQJXNRCEH-UHFFFAOYSA-N
-rxn:4:213604:222442,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cn2)C1,UPNRIHDZTZSUBX-UHFFFAOYSA-N
-rxn:4:213604:222829,CCS(=O)(=O)N1CCC(Oc2ncc(-c3ccc(S(=O)(=O)NC)cc3C(F)(F)F)cn2)C1,CIINPHZGJZDNCD-UHFFFAOYSA-N
-rxn:4:213638:223039,CC(C)NC(=O)c1cc(-c2cnn(CC3CN(C(=O)C4CC(F)(F)C4)C3)c2)ccc1F,CKMGIONWMKUZQR-UHFFFAOYSA-N
-rxn:4:213653:225890,C[Si](C)(C)CCOCn1cc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)cn1,PQEPBLUHFGRIQN-UHFFFAOYSA-N
-rxn:4:213661:222546,CCOC(=O)C1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,RYEFMEOTYXXHPV-UHFFFAOYSA-N
-rxn:4:213681:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3cnn(CC4CN(S(=O)(=O)c5cc(F)cc(F)c5)C4)c3)cc2)CC1,TYYFBCVDBSEFDU-UHFFFAOYSA-N
-rxn:4:213693:222740,CC(C)c1cc(-c2cnn(C(C)C(=O)N3CCCC(C(F)(F)F)C3)c2)cc(C2CCCNC2)n1,WLVOKMYOHJUNNP-UHFFFAOYSA-N
-rxn:4:213695:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cccnc3OC3CCN(C(=O)c4ccno4)CC3)c2)CC1,ZCYBIILHLRJCIR-UHFFFAOYSA-N
-rxn:4:213732:223743,Cc1ccc(-c2cccc(C(=O)N3CC(Cn4cc(Cl)cn4)C3)c2C)cc1OCCCN1CCC(C)CC1,ZKXIIKBSHBARRT-UHFFFAOYSA-N
-rxn:4:213769:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cnc(C2CCCN2C(=O)OC(C)(C)C)nc1,AVIYNNANEQGHMN-UHFFFAOYSA-N
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-rxn:4:213798:225883,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3cnc(C4CCOCC4)c(Cl)c3)cn2)C1,XORJJGMGGRYZIF-UHFFFAOYSA-N
-rxn:4:213800:224414,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)ncn1,SVVKBQHJXAKAEC-UHFFFAOYSA-N
-rxn:4:213805:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)nc3)c(F)c2)CC1,ITRFCPNGLVMABG-INCBEPGWSA-N
-rxn:4:213835:225427,CCCCOc1c(C)cc(-c2ccnn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C,ZQKJSPYLXHCQAG-UHFFFAOYSA-N
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-rxn:4:213874:224489,CC(C)N(Cc1ccc(F)cc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)C(C)C,HTKGKEIMAKVIDA-UHFFFAOYSA-N
-rxn:4:213910:223284,CS(=O)(=O)Nc1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)cc1,OETFNXZRZXCPQV-UHFFFAOYSA-N
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-rxn:4:214003:224756,CN1CC(C(=O)N2CCC(Oc3ncccc3-c3cc(F)ccc3C(=O)N3CCOCC3)CC2)CC1=O,NKYDNQMICMKHER-UHFFFAOYSA-N
-rxn:4:214008:224958,CC(C)c1sc(-c2cccc(OCC3CCCCO3)c2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,DQEMLLPSCLAWSG-UHFFFAOYSA-N
-rxn:4:214033:228437,CC(C)[C@H]1COC(c2cc(-c3ccc(C(F)F)cc3F)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,SEVJVWYBUUDOJO-NHCUHLMSSA-N
-rxn:4:214054:225026,COc1ccccc1-c1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)cn1,CWECBOGXJYGPDH-UHFFFAOYSA-N
-rxn:4:214074:225007,Cc1nn(S(=O)(=O)c2ccc(-c3cccc(CN4CCCCC4)c3F)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,XUCIAMPOAARPAE-UHFFFAOYSA-N
-rxn:4:214135:223557,CCN(CC)S(=O)(=O)c1c(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)nc2n1CCOC2,GWGYSGRWCOICRF-UHFFFAOYSA-N
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-rxn:4:214193:224658,CC(=O)N1CCN(c2ccc(-c3ccc4c(c3)c(OC(C)C(=O)N3CCSCC3)nn4C)cc2)CC1,QBHJBKLBOJWPDB-UHFFFAOYSA-N
-rxn:4:214276:224718,CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(OCCN5CCOCC5)nc4)cnc3[nH]2)CC1,GCLSBVLKUVSUSR-UHFFFAOYSA-N
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-rxn:4:214361:222794,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4ccc(C(=O)Nc5cnccn5)cc4)ccc32)CC1,YPHBCILAKDXTJY-AMIUEWMLSA-N
-rxn:4:214585:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ncccc1CN1CC(S(N)(=O)=O)C1,ZEASPGYLFLHGQP-UHFFFAOYSA-N
-rxn:4:214628:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5nccs5)C(=O)C4)o3)ccc2OC)CC1,LGXJQYNBIJYKHA-UHFFFAOYSA-N
-rxn:4:214631:222432,CS(=O)(=O)N1CCC(Cc2cnc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)C1,QLZICOCWVZFEDF-UHFFFAOYSA-N
-rxn:4:214631:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)c1,JGNSLPABXNHAKN-UHFFFAOYSA-N
-rxn:4:214670:223508,CC(=O)N1CCCC(Cc2cnc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,MMCZEDMIFNPJIN-UHFFFAOYSA-N
-rxn:4:214684:225095,CCOC(=O)c1ccc(OCC)c(-c2cc(C(=O)N3CCN(C)CC3)cc([N+](=O)[O-])c2)c1,KQDMONYGXAVCRZ-UHFFFAOYSA-N
-rxn:4:214705:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)cc2C)CC1,HPXDEHXXXCAJRH-UHFFFAOYSA-N
-rxn:4:214705:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(CC4CCN(S(C)(=O)=O)CC4)cn3)cc2)CC1,XIKCKYQDMXCMKE-UHFFFAOYSA-N
-rxn:4:214716:223687,CCN1CCN(c2cc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c(F)cc2[N+](=O)[O-])CC1,TWVDCHYUMJRTPH-UHFFFAOYSA-N
-rxn:4:214719:225268,CCCOc1cc(-c2cnc(N3CCN(CC)CC3)cc2C(F)(F)F)cc(C(F)(F)F)c1,PBSCCIWWKNGXLF-UHFFFAOYSA-N
-rxn:4:214728:222740,CC1CCN(C(=O)C(C)n2cc(-c3cc(C(C)C)nc(C4CCCNC4)c3)cn2)CC1,SDTLTCKLNBGNCY-UHFFFAOYSA-N
-rxn:4:214751:224285,CC(C)N1CCN(c2cc(-c3ccc(OCCN4CCOCC4)cc3F)ccc2C#N)CC1,SEEUCFWVILDEEA-UHFFFAOYSA-N
-rxn:4:214805:224627,CN(C)C1CN(C(=O)c2ccc(-c3ccc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)cc2)C1,XRWRTZLJHPMIGA-UHFFFAOYSA-N
-rxn:4:214818:225520,CCCCOC(=O)c1cccc(-c2cnc(N3CCN(C(=O)C4CCCO4)CC3)c(Cl)c2)c1,JUYBHQVXBNTCRY-UHFFFAOYSA-N
-rxn:4:214835:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)ccn2)CC1,HNWXSKYWQDGXBY-UHFFFAOYSA-N
-rxn:4:214835:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCOCC4)C3)cn2)CC1,XIHHVGRULKYHIN-UHFFFAOYSA-N
-rxn:4:214837:222584,O=C(C1CN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2Cl)CCO1)N1CCSCC1,LZCPRLOCYCZMOR-UHFFFAOYSA-N
-rxn:4:214839:224592,N#CC1(c2ccc(F)c(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)c2)CCCCC1,ZYMOSFWUVXAGEM-UHFFFAOYSA-N
-rxn:4:214862:225915,CCOc1cc(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)ccc1C(F)(F)F,PWNIDOQVAYNPLS-UHFFFAOYSA-N
-rxn:4:214867:223075,Cc1cc(-c2ccc(NS(=O)(=O)C3CC3)cc2)cnc1N1CCOC(C(=O)N2CCCC2)C1,XFGIGPWRPMVDRI-UHFFFAOYSA-N
-rxn:4:214874:222916,O=C(NC1=NCCS1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)c1,BIPCCCVGLOEIBX-UHFFFAOYSA-N
-rxn:4:214874:225364,Cc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)cc1S(=O)(=O)N(C)C,YFPAGONPHKGYFM-UHFFFAOYSA-N
-rxn:4:214875:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)c(F)c3)c2)CC1,WKLZTWMTHZUEEB-UHFFFAOYSA-N
-rxn:4:214881:225732,CCOC(=O)Cc1ccc(-c2cccnc2N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1F,UUUMKMIQZPWHBR-UHFFFAOYSA-N
-rxn:4:214890:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c(C(F)(F)F)c1,NWCNROHWALOKOF-UHFFFAOYSA-N
-rxn:4:214897:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(N4C(=O)CC(N5CCN(c6ccccc6)CC5)C4=O)cc3)cnc21,OJFCCZJZTZQYIV-UHFFFAOYSA-N
-rxn:4:214900:222628,CN1CCN(Cc2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2N2CCCCC2)CC1,QLEUOKVYPVFUTN-UHFFFAOYSA-N
-rxn:4:214900:225373,COc1cc(-c2ccc(CN3CCN(C)CC3)c(N3CCCCC3)c2)c(Cl)cc1OC(F)(F)F,VWOWEZASNRLBQM-UHFFFAOYSA-N
-rxn:4:215022:223482,O=C1c2ccccc2C(=O)N1CCn1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cn1,MOMBZALANWJVLT-UHFFFAOYSA-N
-rxn:4:215056:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(CSC3=NN4CCCC(=O)N=C4S3)cc2)CC1,FVRKXYHDBUWMLC-UHFFFAOYSA-N
-rxn:4:215066:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cnn3c2N(C(=O)OC(C)(C)C)CCC3)c1,RBDFQPRQFSNFQQ-UHFFFAOYSA-N
-rxn:4:215105:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc1,XNKCOMKJJSCYGX-UHFFFAOYSA-N
-rxn:4:215170:223156,CCNC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,GUEYHUSHDWPKLX-UHFFFAOYSA-N
-rxn:4:215170:228090,CCOCc1cncc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,XOXDFNJJTORDIG-UHFFFAOYSA-N
-rxn:4:215184:224595,COc1cc(N2CCCC(C)C2)ccc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(n1cccn1)C2,OTZKNBXDDJOBAR-UHFFFAOYSA-N
-rxn:4:215216:223676,O=C(C1CCCN(c2nc3ccc(-c4cc(OCc5ccccc5)cc(C(F)(F)F)c4F)cc3s2)C1)N1CCOCC1,SILVPAVZIHRIPY-UHFFFAOYSA-N
-rxn:4:215240:224762,O=C(c1ccc(-c2ccc(C3=NN(c4ccccc4)C4C(=O)N(c5ccc6c(c5)OCCO6)C(=O)C34)cc2)cc1F)N1CCOCC1,MPYPTLGSTWDKDL-UHFFFAOYSA-N
-rxn:4:215277:223482,COc1ccc(C2=NN3C(C2)c2cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)ccc2OC3c2ccncc2)cc1,DPFYZGMTCQOWBF-UHFFFAOYSA-N
-rxn:4:215288:223030,COc1ccc2[nH]c3c(c2c1)CCN(C1CC(=O)N(c2ccc(-c4cccc(NC(=O)OC(C)C)c4)cc2)C1=O)C3,WLZRGBVNNDSIRU-UHFFFAOYSA-N
-rxn:4:215301:225180,O=C(c1ccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)c(Cl)c1)N1CCCC1,GXWPYNFBKOPPOU-UHFFFAOYSA-N
-rxn:4:215301:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc2c(c1)C1CC(c3ccccc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2,NVQAHMWXEUBDDU-UHFFFAOYSA-N
-rxn:4:215663:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3csc(N4CCC(C#N)CC4)n3)c2Cl)CC1,DZJOBNLPCXQNNT-UHFFFAOYSA-N
-rxn:4:215708:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(C(=O)N4CCOCC4)nc3)ccn2)CC1,QLLMQKUNZMGLJJ-UHFFFAOYSA-N
-rxn:4:215798:222584,C=C1CCN(c2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cc2C#N)CC1,HGDUBIJEQYNVJW-UHFFFAOYSA-N
-rxn:4:215906:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cncc(S(=O)(=O)N2CCN(C)CC2)c1,DKTPYRLJGMZJJB-UHFFFAOYSA-N
-rxn:4:216204:223835,COc1ccc2c(n1)c(-c1cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc1F)nn2C1CCCCO1,SBROWKOURYBPNL-UHFFFAOYSA-N
-rxn:4:216210:223575,COc1ccc2c(-c3ccccc3CN3CCN(C(=O)OC(C)(C)C)CC3)nn(C3CCCCO3)c2n1,SEBGEMIMPXMMAQ-UHFFFAOYSA-N
-rxn:4:216221:223687,CC(=O)N1CCN(c2nc3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc3s2)CC1,OXBAYPYUGKTZDH-UHFFFAOYSA-N
-rxn:4:217066:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cnc(N3CCC(F)(F)C3)nc2)C1,BPYNYBRKWWUKNA-UHFFFAOYSA-N
-rxn:4:217904:224247,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccc(C(=O)N4CCC(C)CC4)cc3F)cc12,SSQUHLCJSIMSLW-UHFFFAOYSA-N
-rxn:4:217905:224679,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(Cl)cc(C(=O)N5CCCCC5)c4)ccc2OC32CCN(C)CC2)o1,NYNDJTNWXRTDBX-UHFFFAOYSA-N
-rxn:4:218586:225232,CC1CCN(c2cc(-c3cnc(OCC4CCCN(Cc5ccc(C#N)cc5F)C4)nc3)cnc2Cl)CC1,ZWJNSWIMBJPDBP-UHFFFAOYSA-N
-rxn:4:218600:223220,CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc(NCC4CC4)nc3)cn2)CC1,MLZAUXXMRFRBET-UHFFFAOYSA-N
-rxn:4:218605:225186,COc1ncccc1C(=O)N1CCC(COc2ncc(-c3ccc(F)c(CN4CCSCC4)c3)cn2)CC1,VSMMHRLLCQRCRL-UHFFFAOYSA-N
-rxn:4:218606:225175,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(F)c(CN4CCOCC4)c3)cn2)C1,OCYDQZLKTDCCRJ-UHFFFAOYSA-N
-rxn:4:218606:225188,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(Cl)c(CN4CCOCC4)c3)cn2)C1,LGPPHVOHXOQOPO-UHFFFAOYSA-N
-rxn:4:218607:222433,COc1ccc(C(=O)N2CCCC(COc3ncc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)cn3)C2)cn1,FMTROZVIYAZIIC-UHFFFAOYSA-N
-rxn:4:218616:225007,Cn1cc(-c2cccc(CN3CCCCC3)c2F)c(CN2CCN(C(=O)OCc3ccccc3)CC2)n1,KSMWWPKIXKOXLK-UHFFFAOYSA-N
-rxn:4:218620:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cnc(OCC2CCCN(Cc3csc(C4CC4)n3)C2)nc1,VZWWHLIKLPFQDS-UHFFFAOYSA-N
-rxn:4:218621:224853,CC1(C)CCC(c2ccc(-c3cnc(OC4CCN(S(=O)(=O)CCN5C(=O)CCCC5=O)C4)nc3)cc2)CC1,KBHMXYLMFGIAKK-UHFFFAOYSA-N
-rxn:4:218656:225877,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,SILQGAJNVMVAMU-UHFFFAOYSA-N
-rxn:4:218662:225814,CN(C)c1cccc(C(=O)N2CCC(COc3ncc(-c4cccc(C5(C(F)(F)F)CC5)c4)cn3)CC2)c1,SPJRKQKZUNTVQY-UHFFFAOYSA-N
-rxn:4:218666:225898,CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(-c4cnn(CCN5CCOCC5)c4)c3)C2)nn1,ANTKUMKDXYBTPV-UHFFFAOYSA-N
-rxn:4:218675:225543,CCCCC(=O)c1ccc(F)c(-c2cncc(C(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)c2)c1,JPQKXYFRWHLYRN-UHFFFAOYSA-N
-rxn:4:218681:224201,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cc(Cl)c(C)nc4OCc4ccccc4)cn3)CC2)CC1,QQRDVUOVPIYLLR-UHFFFAOYSA-N
-rxn:4:218682:223080,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)NC(C)C)cc4)cn3)C2)CC1,FHTIVQLXKGBVKU-UHFFFAOYSA-N
-rxn:4:218682:224329,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCC(=O)CC5)c(F)c4)cn3)C2)CC1,JQDGCWASAJWYIG-UHFFFAOYSA-N
-rxn:4:218682:224680,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(C(=O)N5CCCCC5)ccc4F)cn3)C2)CC1,KUTKJWQUTRVRTN-UHFFFAOYSA-N
-rxn:4:218686:222875,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3cc(C(=O)NC(C)(C)C)ccc3F)CC2)CC1,LQEQPQZNFGUUFA-UHFFFAOYSA-N
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-rxn:4:218711:224311,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cc(-n4ccnc4)cc(-n4ccnc4)c3)CC2)CC1,KODQZLHCNMOBPA-UHFFFAOYSA-N
-rxn:4:218711:226805,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnn(-c4cc(F)ccn4)c3)CC2)CC1,DQGIAJPMMNALPX-UHFFFAOYSA-N
-rxn:4:218767:225187,Cn1cc(CC(=O)N2CCCC(COc3ncc(-c4cc(Cl)ccc4CN4CCOCC4)cn3)C2)c2ccccc21,ODWMHHFYQJQPJR-UHFFFAOYSA-N
-rxn:4:218786:225898,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cnn(CCN6CCOCC6)c5)cccc4c3C2)CC1,MDOKQSNIEKAUOC-UHFFFAOYSA-N
-rxn:4:218786:225975,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5ccnc(N6CCOCC6)c5Cl)cccc4c3C2)CC1,UNTNNKULDYZOSI-UHFFFAOYSA-N
-rxn:4:218786:225979,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cnc(N6CCOCC6)c(Cl)c5)cccc4c3C2)CC1,ZJGXVHPGEGUCLF-UHFFFAOYSA-N
-rxn:4:218786:226659,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cnc(N6CCCC6)c(Cl)c5)cccc4c3C2)CC1,JJKIBSIFXOJFFO-UHFFFAOYSA-N
-rxn:4:218786:227441,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cnc(C6CCC6)c(Cl)c5)cccc4c3C2)CC1,CUGCYGAXWIFWDJ-UHFFFAOYSA-N
-rxn:4:218786:228961,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5cncc6ncnn56)cccc4c3C2)CC1,ISZRPCLMXXZHRG-UHFFFAOYSA-N
-rxn:4:218867:225829,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(N4CCC(C)CC4)nc3)c2)no1,NSUGGYBFGGACID-UHFFFAOYSA-N
-rxn:4:218867:226730,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(OC4CCC4)nc3Cl)c2)no1,IMUXADKPRGKVEB-UHFFFAOYSA-N
-rxn:4:218868:225829,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCC(C)CC4)nc3)cc2)no1,YGYSSFRAVWCMRZ-UHFFFAOYSA-N
-rxn:4:218886:223606,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)cn2)C1,WQMDHILWYSFSQY-UHFFFAOYSA-N
-rxn:4:218886:223787,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)C1,WRJMTWUYUHGVRF-UHFFFAOYSA-N
-rxn:4:218888:222634,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,VYHKICCLGYURIM-UHFFFAOYSA-N
-rxn:4:218892:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CCC(COc5ccc(C)nn5)C4)c3)c2)CC1,QJMKYJVOHLJGLG-UHFFFAOYSA-N
-rxn:4:218894:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCC(COc2ccncc2Cl)CC1,IMCWWCWRCAXJRH-UHFFFAOYSA-N
-rxn:4:218897:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cnc(OCC2CCCN(C(=O)c3ccncc3F)C2)nc1,BLTWTOXFZLMPIU-UHFFFAOYSA-N
-rxn:4:218898:224194,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCN(C(=O)c5ccncc5F)CC4)nc3)cc2Cl)CC1,BUSJSUAUJUIZLR-UHFFFAOYSA-N
-rxn:4:218917:227465,COCCOc1cncc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,ZBJVTJGAUMFRRR-UHFFFAOYSA-N
-rxn:4:218972:225172,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)s1,STDHMHJTVKEVQS-UHFFFAOYSA-N
-rxn:4:218974:223602,Cc1cc(OCC2CCN(c3ncc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cc3C#N)CC2)ccn1,ORKJILDHUMRPCG-UHFFFAOYSA-N
-rxn:4:218976:224160,CC(C)(C)OC(=O)N1CCc2cc(-c3cnc(OC4CCN(C5CCN(CC(F)(F)F)C5=O)CC4)nc3)ccc21,SNLYFXLVVCHJSG-UHFFFAOYSA-N
-rxn:4:218993:224759,Cc1nc(C)c(CN2CCC(COc3ncc(-c4cc(F)cc(C(=O)N5CCOCC5)c4)cn3)CC2)s1,QXQPPKVHMFEPIA-UHFFFAOYSA-N
-rxn:4:218998:223945,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,UYIXHIHZDHYGHS-UHFFFAOYSA-N
-rxn:4:219015:222396,COc1ccc(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)c(C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1,KWJLRVNDWJZRLP-UHFFFAOYSA-N
-rxn:4:219026:223609,CC1CN(C(=O)c2c(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)cnn2C)CCN1C(=O)OC(C)(C)C,SOARRUMCPGGQMB-UHFFFAOYSA-N
-rxn:4:219042:223973,CC1CCCN(c2ccc(-c3cn(C)nc3CN3CCN(C(=O)OC(C)(C)C)CC3C)c(C(F)(F)F)c2)C1,HBIFORQVSZJEBW-UHFFFAOYSA-N
-rxn:4:219045:225357,CCOc1cc(-c2ccccc2C(=O)N2CCN(CCn3nc(C)cc3C)CC2)c(F)c(C(F)(F)F)c1,UPLKQOOKYCRDGG-UHFFFAOYSA-N
-rxn:4:219051:223481,CN(c1cnc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)cn1)C1CCCN(C(=O)OC(C)(C)C)CC1,GURPAMJMWQOCQG-UHFFFAOYSA-N
-rxn:4:219067:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(N4CC(C(=O)N5CCC(Cn6ccnc6)CC5)CC4=O)c3)cc(C(F)(F)F)c2)CC1,JTUZXUXSJFYBRF-UHFFFAOYSA-N
-rxn:4:219120:224129,CN(C(=O)c1cccc(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)c1)C1CCCCC1,ZVRNDHVQJHJSJQ-UHFFFAOYSA-N
-rxn:4:219142:222589,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccc(OCCN5CCC(O)CC5)c(Cl)c4)cc23)CC1,FKOPKONUDSNEJL-UHFFFAOYSA-N
-rxn:4:219383:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)ccc2OC)CC1,ALJBDADFVJNPET-UHFFFAOYSA-N
-rxn:4:219473:225313,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(N2CCN(C)CC2)nc1F,MEWNKOYGXMGABY-UHFFFAOYSA-N
-rxn:4:219479:224718,O=C(c1cc(-c2ccc(OCCN3CCOCC3)nc2)ccc1Cl)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,FTUMBQBRNUSZSD-UHFFFAOYSA-N
-rxn:4:219487:222886,CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3ccc(N4CCNCC4)cc3C#N)cn2)CC1,ILIQSBYGDCIPDV-UHFFFAOYSA-N
-rxn:4:219488:224660,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cn1,LLPNYFALDUWXRR-IBGZPJMESA-N
-rxn:4:219500:226713,COCCOc1cc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)c(F)cn1,LTOLDQNXQPIIDF-UHFFFAOYSA-N
-rxn:4:219506:225559,O=S(=O)(c1ccc(-c2ccc(OCC3CCOC3)cc2)cc1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,IQQRLRMWOSKNGW-UHFFFAOYSA-N
-rxn:4:219534:224421,CC(C)c1cc(C(C)C)c(-c2cncc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2)c(C(C)C)c1,JDZZPAJXTFZYCX-UHFFFAOYSA-N
-rxn:4:219541:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccccc3C(=O)N3CCCC(N(C)c4ncc(C)cn4)C3)c2)C1,LZTLNIOAZNVAMG-UHFFFAOYSA-N
-rxn:4:219546:223812,O=C(c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,YVVGTAIEKHJNGO-UHFFFAOYSA-N
-rxn:4:219552:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1OC,NXIAFDVGEDFVHO-UHFFFAOYSA-N
-rxn:4:219628:222426,Cn1c(=O)c2c(nc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)n2CCCc2ccccc2)n(C)c1=O,OAHMPEBSCIXITI-UHFFFAOYSA-N
-rxn:4:219650:225573,COC(=O)c1cc(-c2cc(CN3N=NC4C(=O)N(c5ccc(Cl)cc5)C(=O)C43)ccc2OC)cc(C2CC2)c1,QBEXLZYRHZQJAB-UHFFFAOYSA-N
-rxn:4:219653:224396,Cc1cc(-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)ccc1S(=O)(=O)N1CCOCC1,NKMMRVOABXFLCL-UHFFFAOYSA-N
-rxn:4:219688:223065,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4ccc(N5CCNCC5)cc4F)cn3n2)CC1,RTXMFQGKBFWAGL-UHFFFAOYSA-N
-rxn:4:219706:224352,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc(C5CCCOC5)c(C(F)(F)F)c4)c(Cl)cc23)CC1,WHSQOKWHQAWEPB-UHFFFAOYSA-N
-rxn:4:219706:224718,CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccc(OCCN5CCOCC5)nc4)c(Cl)cc23)CC1,GTZZZQDGESXSAC-UHFFFAOYSA-N
-rxn:4:219745:224584,COc1ccc(-c2cccc(C(=O)N3CCC(C)CC3)c2)c(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c1,LRLBACZSZRZLMI-UHFFFAOYSA-N
-rxn:4:219759:224973,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4cccc(CN5CCN(C)CC5)c4)cc2)OC3)CC1,XJFVIDAFFLAGAE-UHFFFAOYSA-N
-rxn:4:219949:223641,CCc1cc2c(cc1F)cc(-c1cn(C)nc1CN1CCN(C(C)C)CC1)n2C(=O)OC(C)(C)C,BOMJCJWUTSBKNT-UHFFFAOYSA-N
-rxn:4:219950:224633,COc1ccc(CN2CCOCC2)cc1-c1cnc(SC)nc1N1CCN(C2CCC2)CC1,PDYWJNWUVCGBHP-UHFFFAOYSA-N
-rxn:4:220123:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4nccn4)C5)c3)c2)CC1,DEMJKQCYDJPCRY-UHFFFAOYSA-N
-rxn:4:220123:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4nccn4)C5)c3)cc2)CC1,QICGOXOUDFMNNM-UHFFFAOYSA-N
-rxn:4:220123:224328,CC1CCCCN1S(=O)(=O)c1cccc(-c2ccc(Cl)c(C(=O)N3C4CCC3CC(n3nccn3)C4)c2)c1,HNYYTJCNVUKNOA-UHFFFAOYSA-N
-rxn:4:220124:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4ccnn4)C5)c3)c2)CC1,SPXYFOZSVUSJFY-UHFFFAOYSA-N
-rxn:4:220124:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4ccnn4)C5)c3)cc2)CC1,CWCSEFLEZJWFMJ-UHFFFAOYSA-N
-rxn:4:220124:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(Cl)c(C(=O)N4C5CCC4CC(n4ccnn4)C5)c3)c2)C1,SCWIQXKIUDYFOU-UHFFFAOYSA-N
-rxn:4:220137:224178,CN1CCN(CCOc2cccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)c2)CC1,QVEPXQANQMLTQM-UHFFFAOYSA-N
-rxn:4:220159:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)c(F)cc2C)CC1,FHZUEMCGFOUKNZ-UHFFFAOYSA-N
-rxn:4:220159:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4nc(N5CCC(c6nnc(C7CC7)o6)CC5)sc4c3)c2)CC1,XKXRKNMIQXPEGO-UHFFFAOYSA-N
-rxn:4:220161:222783,COc1cccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(Cl)c(NC(=O)OC(C)(C)C)c5)c(C)c4)C3C2=O)c1,OQDXGFHLSXINKB-UHFFFAOYSA-N
-rxn:4:220194:225200,CCc1ccc(N2C(=O)C3N=NN(c4ccc(-c5ccc(F)c(OC6CCCC6)c5F)c(C)c4)C3C2=O)cc1,ZOANCYDJRNPNEB-UHFFFAOYSA-N
-rxn:4:220205:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCOCC4)C3)ncc2c1,LGQCTTDYQDIJDB-UHFFFAOYSA-N
-rxn:4:220238:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc4nc(N5CCN(c6ccccc6Cl)CC5)nc(-c5ccccc5)c4c3)ccc2F)CC1,DNZKAKCXDIGBQX-UHFFFAOYSA-N
-rxn:4:220536:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c(F)c2s1,VBOPEAFYMIHFEC-UHFFFAOYSA-N
-rxn:4:220564:223482,O=[N+]([O-])c1nc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n[nH]1,FLZVEMFKZFPUOQ-UHFFFAOYSA-N
-rxn:4:220935:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cnc4ccc(N5CCOCC5)nn34)c2)CC1,FFRAPXFUTLEABY-UHFFFAOYSA-N
-rxn:4:220935:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3cnc4ccc(N5CCOCC5)nn34)c2)CC1,JHCKUSLIUNNQEP-UHFFFAOYSA-N
-rxn:4:221097:223541,Cc1n[nH]c(C)c1CCC(=O)N1CCC(Oc2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cn2)C1,IGGXFVKZEYEUKJ-UHFFFAOYSA-N
-rxn:4:221105:224460,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CC5)cc(N5CCCCC5)c4)cn3)C2)nc1C,MVTTWVLITIEUQK-UHFFFAOYSA-N
-rxn:4:221105:226655,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(Cl)cnc4N4CCCC4)cn3)C2)nc1C,LFBKKKQNVUACDY-UHFFFAOYSA-N
-rxn:4:221108:225123,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccncc4OCC4CCCCO4)cn3)CC2)c(=O)c1C,KXXLPCJPSIVDNF-UHFFFAOYSA-N
-rxn:4:221115:226791,CCOc1ccc(-c2cnc(-n3cccn3)nc2C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,FBCPAIZYKUMYIH-UHFFFAOYSA-N
-rxn:4:221120:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cncc(C(=O)N3CCN(Cc4nc5ccccc5n4Cc4ccccc4)CC3)c2)CC1,WSIJHGURBQHJKS-UHFFFAOYSA-N
-rxn:4:221152:222546,Cc1nnsc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,DHHKNZMHUXCTEW-UHFFFAOYSA-N
-rxn:4:221159:222696,Cc1nc(CN2CCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCC(O)CC5)c4)cn3)CC2)no1,HCJCFPPJYPDGLX-UHFFFAOYSA-N
-rxn:4:221165:224194,CCN1CCN(Cc2ccc(-c3cnc(N4CCC(COc5ccc(C6CC6)nn5)C4)nc3)cc2Cl)CC1,FFJRZPCLGYYRKB-UHFFFAOYSA-N
-rxn:4:221169:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(OCC2CCCN(S(=O)(=O)c3cnn(C)c3)C2)nc1,XWGHCCJUXUNBAU-UHFFFAOYSA-N
-rxn:4:221180:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCN(C(=O)c3cc(C)n(C)n3)CC2)nc1,RXNSKDBJDRUJON-UHFFFAOYSA-N
-rxn:4:221181:222584,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)cn3)C2)nn1C,DMNHHYSJDQVOIR-UHFFFAOYSA-N
-rxn:4:221193:227917,CCc1ccc(OC)c(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)c1,GQOYYNKFNAORGL-UHFFFAOYSA-N
-rxn:4:221206:223118,CCCC(=O)Nc1cccc(-c2ccc(CCN3CCN(c4cc(N5CCOCC5)ncn4)CC3)cc2)c1,BCNDEHQZCMMUOK-UHFFFAOYSA-N
-rxn:4:221245:224666,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(F)c(CN6CCN(C)CC6)c5)c4)CC3)nn2c1C,LAVVLXYLOGJKRM-UHFFFAOYSA-N
-rxn:4:221249:222980,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5ccc(CN6CCNCC6)cc5)cnn4c3)cc2)CC1,SSORPCKUNXKJIU-UHFFFAOYSA-N
-rxn:4:221249:224759,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cc(F)cc(C(=O)N6CCOCC6)c5)cnn4c3)cc2)CC1,HWTWFBKKFOGZSM-UHFFFAOYSA-N
-rxn:4:221263:225975,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccnc(N4CCOCC4)c3Cl)cc2)n(C)c1=O,QLLJNQQZXOUMOV-UHFFFAOYSA-N
-rxn:4:221264:222816,CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OC)c(S(=O)(=O)NC(C)C)c3)cc2)n(C)c1=O,ACSWRXCXKPWHEH-UHFFFAOYSA-N
-rxn:4:221267:225232,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnc(Cl)c(N4CCC(C)CC4)c3)cc2)n(C)c1=O,CWMVNTQEGSGMEJ-UHFFFAOYSA-N
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-rxn:4:221272:225984,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)n(C)c1=O,RRBSAIIEQKMENE-UHFFFAOYSA-N
-rxn:4:221311:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CC(Cn5cc(C)cn5)C4)c(C#N)c3)ccc2C)CC1,MBKFZDCHIAIKMD-UHFFFAOYSA-N
-rxn:4:221351:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CC(Cn5nc(C6CC6)ccc5=O)C4)nc3)ccc2C)CC1,SRDONRODOSJLSK-UHFFFAOYSA-N
-rxn:4:221398:227308,CN(C)Cc1ccc(Cl)cc1-c1cnc(OC2CCN(C(=O)N3CCN(C)CC3)CC2)nc1,OQQCSRUBQOMGCD-UHFFFAOYSA-N
-rxn:4:221422:222458,O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,LAQCVEVGQKDYMT-UHFFFAOYSA-N
-rxn:4:221422:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cl)c(C(=O)N4CCN(c5ccc(N6CCOCC6)nn5)CC4)c3)c2)CC1,PJOVHPVFBFJDDQ-UHFFFAOYSA-N
-rxn:4:221429:225584,O=C(c1ccc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc1)N1CCCC1,QHHLQTZEOFJABM-UHFFFAOYSA-N
-rxn:4:221440:222833,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc3)CC2)n1,IGUSGCYHTJBAMA-UHFFFAOYSA-N
-rxn:4:221440:224820,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)CC2)n1,QKSQIBBPQLPFRZ-UHFFFAOYSA-N
-rxn:4:221442:223069,CCCS(=O)(=O)Nc1cccc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1,FOFRPHGVTSUIRZ-UHFFFAOYSA-N
-rxn:4:221447:227390,Cc1cc(N2CCN(Cc3ccc(-c4ccnn4C4CCCCC4)cc3)CC2)nc(N2CCOCC2)n1,ZEQJGFFQASZRSG-UHFFFAOYSA-N
-rxn:4:221452:223279,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4cnc(C5CCCN5)nc4)c3)CC2)n1,BTBABCFMFAOEHL-UHFFFAOYSA-N
-rxn:4:221491:222735,O=C(NC1CCCCC1)c1cccc(-c2cnc(N3CC4CCCC4(COc4ncc(F)cn4)C3)nc2)c1,AXJPNJZTOCBXAF-UHFFFAOYSA-N
-rxn:4:221492:223753,COc1ccc2nnc(C3CCN(C(=O)c4ccc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)o4)CC3)n2n1,LIJWSAKNWIQTGR-UHFFFAOYSA-N
-rxn:4:221503:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OCC4CCN(c5cnc6ccccc6n5)CC4)nc3)c(Cl)c2)CC1,VZLPTQUEUMYTDO-UHFFFAOYSA-N
-rxn:4:221600:223482,Cc1nccnc1N1CC(Cn2cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)C1,VXKQBVUUFOFMAJ-UHFFFAOYSA-N
-rxn:4:221641:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)c3ccccc23)CC1,MHGKJBBPAGHFHT-UHFFFAOYSA-N
-rxn:4:221726:225794,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cnc(OC4CCCCC4)nc3)cn2)CC1,WSBHIPGVSIAFSQ-UHFFFAOYSA-N
-rxn:4:221726:226025,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3cnc(OC4CCOC4)nc3Cl)cn2)CC1,DTJIYQWJQXPYFF-UHFFFAOYSA-N
-rxn:4:221727:225271,COC(=O)c1cc(OC)c(OC)cc1-c1cncc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)c1,VLYKBOIEBOVJPO-UHFFFAOYSA-N
-rxn:4:221736:224656,COc1ccc(-c2cncc(C(=O)N3CC4CN(c5nc(C)nc6c5CCC6)CC4C3)c2)c(F)c1OC1CCCC1,DXSHPLKOCDYJCI-UHFFFAOYSA-N
-rxn:4:221980:225172,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(CN6CCOCC6)ccc5F)c4)sc3n2)CC1,DFXSWFPPXWPEKZ-UHFFFAOYSA-N
-rxn:4:221985:225160,Cn1cc(-c2nc3cnc(-c4ccc(Cl)c(C(=O)N5CCCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,BKMWLNFOKWVPEX-JOCHJYFZSA-N
-rxn:4:221985:225363,Cn1cc(-c2nc3cnc(-c4ccc(C(=O)N5CC(F)(F)C5)nc4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,YPYHUNFBMWBBDT-HXUWFJFHSA-N
-rxn:4:221985:225883,Cn1cc(-c2nc3cnc(-c4cnc(C5CCOCC5)c(Cl)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,CFUVTGGQLLNNTM-JOCHJYFZSA-N
-rxn:4:221985:226511,Cn1cc(-c2nc3cnc(-c4cc(Cl)cnc4OCC4CC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,QMYIBLSOFHSKIQ-OAQYLSRUSA-N
-rxn:4:222053:222771,CCc1cc(N2CCN(c3ncc(-c4ccc(F)c(C(=O)NC5CCCC5)c4)cn3)CC2)nc(C(C)(C)C)n1,LOXBFYUBYUDVRP-UHFFFAOYSA-N
-rxn:4:222054:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)c1,OPVMIFFFOCMVRW-UHFFFAOYSA-N
-rxn:4:222060:225943,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(C(=O)N6CCOCC6)s5)cc4)CC3)nn2)c(C)c1C,AXWZZQSXOIOXSP-UHFFFAOYSA-N
-rxn:4:222062:225101,CCN(CC)C(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCN(C)CC5)n4)CC3)cc2)ccc1Cl,KXVXMINEEKGUEM-UHFFFAOYSA-N
-rxn:4:222062:226659,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(N5CCCC5)c(Cl)c4)cc3)CC2)n1,NHECECBWHNCUBJ-UHFFFAOYSA-N
-rxn:4:222062:226691,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)c(N5CCCC5)c4)cc3)CC2)n1,DPQFZNICNIDCNK-UHFFFAOYSA-N
-rxn:4:222062:227003,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(OCC5CC5)cc4)cc3)CC2)n1,NDYZARAAVTXHTA-UHFFFAOYSA-N
-rxn:4:222062:227445,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(Cl)c(C5CCC5)c4)cc3)CC2)n1,OQGSDARJHVPMRW-UHFFFAOYSA-N
-rxn:4:222075:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(c5nccn6nc(C7CC7)cc56)C4)c3)ccc2OC)CC1,GWAZJZUFDZFSRO-UHFFFAOYSA-N
-rxn:4:222089:222934,CCNC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,RNUXVPRVEHPVRK-UHFFFAOYSA-N
-rxn:4:222108:223022,COCCNC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)cc1,XONGHCRPHCRDHX-UHFFFAOYSA-N
-rxn:4:222120:225518,CCCCCOc1ncc(C)cc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(C)c5)C(=O)C43)n2)cc1,BHCLRPYRAUYKNF-UHFFFAOYSA-N
-rxn:4:222163:224022,Cc1nc(C2CC2)cc(N2CCN(c3ncc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cn3)CC2)n1,SVEUOWGOYYTKNI-UHFFFAOYSA-N
-rxn:4:222192:223959,CCN1CCN(C(=O)c2cc(-c3cnc(N4CCN(c5nc(C6CC6)nc6c5CCC6)CC4)nc3)ccc2Cl)CC1,BOUFPCWMZCGHNF-UHFFFAOYSA-N
-rxn:4:222331:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCN(c5nccc(N6CCOCC6)n5)CC4)nc3)c(F)cc(F)c2s1,DBENCCNOZGJHDM-UHFFFAOYSA-N
-rxn:4:222331:225177,Fc1cc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)ccc1CN1CCSCC1,YVLKGOWEXGMCBP-UHFFFAOYSA-N
-rxn:4:222332:223975,CC(C)(C)OC(=O)n1cc(-c2cnc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nc2)c2nc(Cl)ccc21,DPQYAPIBTNDCLC-UHFFFAOYSA-N
-rxn:4:222332:224497,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)cc2)CC1,NUYWGJPIFZNPJM-UHFFFAOYSA-N
-rxn:4:222336:222584,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(-c5ccc(OCCCN6CCNCC6)c(F)c5)cn4)CC3)n2)n1,OTSMVPMBOYHAQB-UHFFFAOYSA-N
-rxn:4:222363:227260,COCc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)ccc1OC,MKMCMSCCFZVDME-UHFFFAOYSA-N
-rxn:4:222523:175491,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CC(=O)OC(C)(C)C)cc2)c(C(F)(F)F)c1,JEEJRQUGTRFLMU-UHFFFAOYSA-N
-rxn:4:222523:177853,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(OC(C)(C)C)cc(C(F)(F)F)c2)c(C(F)(F)F)c1,XDEBXERSBPJGGI-UHFFFAOYSA-N
-rxn:4:222580:215170,O=C(c1cncc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)c1)N1CC(N2C(=O)C3CC=CCC3C2=O)C1,BLNZBONVUFCXQV-UHFFFAOYSA-N
-rxn:4:222712:185417,CC(C)c1ccc(N(C(=O)c2ccc(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3F)cc2)C2C=CS(=O)(=O)C2)cc1,YPYIDALVNBNWHP-UHFFFAOYSA-N
-rxn:4:222723:178497,COc1ccc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)C12CC(C1)C2,HUJUVTVRJWVVFR-UHFFFAOYSA-N
-rxn:4:222741:185147,CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2-c2cc(C3CC3)nc(C3CCCNC3)c2)C1,UVRGUVABIPOSEW-UHFFFAOYSA-N
-rxn:4:222820:178382,CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2)cc1F,NWZVKJWPMHAQDB-UHFFFAOYSA-N
-rxn:4:222821:187190,CC(C)(C)NS(=O)(=O)c1cc(-c2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)ccc1F,YOPKNUBOMLMLIQ-UHFFFAOYSA-N
-rxn:4:222940:185113,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(C(F)(F)F)C3)cc2)c1,GPRFMXXUSTVEHA-UHFFFAOYSA-N
-rxn:4:222940:185212,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(CC3COS(=O)(=O)N3C(=O)OC(C)(C)C)cc2)c1,DBODOQZQWNYTOE-UHFFFAOYSA-N
-rxn:4:223570:178292,COC(=O)C1(c2cccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)CCC(=O)CC1,UOWPFKFMRXQDPA-UHFFFAOYSA-N
-rxn:4:223570:187165,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CO[Si](C)(C)C(C)(C)C)nc3)c(F)ncc21,LDHLJOBMDDJVFH-UHFFFAOYSA-N
-rxn:4:223570:187824,COc1ccc2c(c1)c(-c1c(F)ncc3c1ccn3[Si](C(C)C)(C(C)C)C(C)C)cn2C(=O)OC(C)(C)C,DRACRMKKPXWMBT-UHFFFAOYSA-N
-rxn:4:223641:184397,CCc1cc2c(cc1F)cc(-c1ccc(C#N)c(CC(=O)OC)c1C(F)F)n2C(=O)OC(C)(C)C,SRKPAIRJPQYWKV-UHFFFAOYSA-N
-rxn:5:177181:225507:223064,COC(=O)C1CCc2cc(-c3ccc(C(=O)OC(C)C)cc3-c3ccc(C4CCNCC4)nc3F)ccc21,OCVMIBWXTDAOTL-UHFFFAOYSA-N
-rxn:5:177181:225601:222405,CC(C)OC(=O)c1ccc(-c2ccc(C3(C#N)CCC3)cc2F)c(-c2cccc(C3NC(=O)NC3=O)c2)c1,HKMMWTURGXQEQT-UHFFFAOYSA-N
-rxn:5:177184:222989:223064,CCOC(=O)c1c(-c2ccc(C3CCNCC3)nc2F)ccc(C)c1-c1ccc(N2CCNCC2)cc1C,VCTHORLWMDEAFJ-UHFFFAOYSA-N
-rxn:5:177185:226662:223062,CC(C)OC(=O)c1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1-c1cnc(C2CCNCC2)cc1F,RPPYCNOVSJUPRE-UHFFFAOYSA-N
-rxn:5:177189:225639:223006,CCOC(=O)c1c(-c2cccnc2N2CCC(C)CC2)ccc(C)c1-c1ccc(F)c(C2CCNCC2)c1,XWQKELOKJKGPLO-UHFFFAOYSA-N
-rxn:5:177189:225794:225933,CCOC(=O)c1c(-c2cnc(OC3CCCCC3)nc2)ccc(C)c1-c1cc(C2CC2)nc(C(F)(F)F)c1,UXAQNXVNLMTKCB-UHFFFAOYSA-N
-rxn:5:177190:223054:226426,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(C)CC3)s2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,IOYJBXJVZSMGBF-UHFFFAOYSA-N
-rxn:5:177190:225805:226428,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3C)cs2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,JXQHXLMKRNTOAI-UHFFFAOYSA-N
-rxn:5:177190:226662:223010,CCS(=O)(=O)Cc1ccc(-c2ccc(C3(O)CCOCC3)cc2)c(-c2ccc(N3CCN(C)CC3)s2)c1,QWWXLPYQFIZWID-UHFFFAOYSA-N
-rxn:5:177191:223004:225601,N#CC1(c2ccc(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCNCC5)c(F)c4)c3)c(F)c2)CCC1,XAAASHQHWHKTFZ-UHFFFAOYSA-N
-rxn:5:177191:223064:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)C4CC4)c(-c4ccc(C5CCNCC5)nc4F)c3)c2)CCC1,NURCFXZLXMRFSU-UHFFFAOYSA-N
-rxn:5:177191:225601:223006,N#CC1(c2ccc(-c3cc(-c4ccc(F)c(C5CCNCC5)c4)ccc3CC(=O)C3CC3)c(F)c2)CCC1,PNQPLQNMXZIMOW-UHFFFAOYSA-N
-rxn:5:177192:222987:225592,CCOC(=O)c1ccc(-c2cc(F)ccc2CN2CCCC2)c(-c2ccc(C3CCNCC3)nc2C)c1C,PDPIBYYRFIFERI-UHFFFAOYSA-N
-rxn:5:177192:223062:222986,CCOC(=O)c1ccc(-c2cc(C)nc(C3CCCNC3)c2)c(-c2cnc(C3CCNCC3)cc2F)c1C,BWTDEMBISIVHID-UHFFFAOYSA-N
-rxn:5:177193:223061:223065,CCOC(=O)c1cc(C)c(-c2cc(C3CCNCC3)ncc2F)cc1-c1ccc(N2CCNCC2)cc1F,CSKRXZYGLYLTMR-UHFFFAOYSA-N
-rxn:5:177193:226038:226028,CCOC(=O)c1cc(C)c(-c2cc(F)c(C(F)(F)F)cc2OC)cc1-c1ccc(C(F)(F)F)c(C#N)c1F,YXJLSTQNZNKTTK-UHFFFAOYSA-N
-rxn:5:177445:225982:226662,CC(C)=CCOc1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1ccc(N2CCN(C)CC2)s1,WFBWQDVAYNXHFD-UHFFFAOYSA-N
-rxn:5:177731:226663:225980,CC(C)(C)OC(=O)c1ccc(-c2cc(N3CCOCC3)ncc2F)cc1-c1ccc(N2CCSCC2)nc1,OISODVLCCDNLIM-UHFFFAOYSA-N
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-rxn:5:177891:222419:223135,NS(=O)(=O)c1cccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccnc2C2CCCNC2)c1,CBMCLCJTPAPVIR-UHFFFAOYSA-N
-rxn:5:177891:223136:228871,COC(=O)c1ccsc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccncc1C1CCCNC1,KXJMGJZILFVWBX-UHFFFAOYSA-N
-rxn:5:177891:223378:225631,CN1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnc4c(c3)NCCO4)cc2)CC1,AVQSXBSJFXZNOF-UHFFFAOYSA-N
-rxn:5:177891:225986:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1ccccc1N1CCCS1(=O)=O,GRPFLIQOPLFXHW-UHFFFAOYSA-N
-rxn:5:177891:226177:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCCCC3)c2)ccc1C1COC1,YBPRHWPGEUQPAF-UHFFFAOYSA-N
-rxn:5:177891:226366:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(N3CCCCC3)c2)s1)N1CCOCC1,ZMTRKJYTTDFMLL-UHFFFAOYSA-N
-rxn:5:177891:226447:222421,NS(=O)(=O)c1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCOCC3)c2)c1,FJYGEDJGTDMIDN-UHFFFAOYSA-N
-rxn:5:177891:227093:223287,CNS(=O)(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2C2CCCC2)cc1,HQWLACAWFVWJGI-UHFFFAOYSA-N
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-rxn:5:177891:227449:223135,O=C(SC1CS(=O)(=O)CC1c1cccnc1C1CCCNC1)c1ccccc1-c1ccc(C2CCOCC2)s1,LBLRHKWUWDTAQG-UHFFFAOYSA-N
-rxn:5:177891:227449:226425,CC1CCCCN1c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCOCC3)s2)s1,MQIDHLQFJFELJR-UHFFFAOYSA-N
-rxn:5:177891:227449:227444,O=C(SC1CS(=O)(=O)CC1c1cncc(C2CCCO2)c1)c1ccccc1-c1ccc(C2CCOCC2)s1,QGVYXNRJSOEVCU-UHFFFAOYSA-N
-rxn:5:177891:227449:228119,CC(C)Sc1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCOCC3)s2)cn1,ORCCASHFOXTXDV-UHFFFAOYSA-N
-rxn:5:177891:227684:225831,Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnn(CC3OCCO3)c2)cnc1N1CCOCC1,HIHMCASOYDYHBE-UHFFFAOYSA-N
-rxn:5:177891:228307:226586,CON(C)c1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(OC3CCOC3)c2)ccn1,PKESPXQETVWVMJ-UHFFFAOYSA-N
-rxn:5:177891:229013:225798,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2CCOCC2)nc1)c1ccccc1-c1sccc1C1CC1,GEENYRMYCLBLMB-UHFFFAOYSA-N
-rxn:5:178118:222409:223136,COc1ccc(-c2ccc(-c3ccncc3C3CCCNC3)cc2OCC2CCCCO2)cc1S(N)(=O)=O,KHVSQSIZSZSXKR-UHFFFAOYSA-N
-rxn:5:178119:223281:223061,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(C3(O)COC3)nc2)c1-c1cc(C2CCNCC2)ncc1F,KQXDNDNVSAVAIA-UHFFFAOYSA-N
-rxn:5:178121:227657:227803,CN(C)S(=O)(=O)n1nccc1-c1cccc(OCC2CCOCC2)c1-c1ccc(N2CCOCC2)s1,LUKFRRIOGGKVRS-UHFFFAOYSA-N
-rxn:5:178224:222959:227710,Cc1cc(-c2cc(OCC3CCCCC3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2)ccc1C1CCNCC1,SGZGUJQDRMOPTJ-UHFFFAOYSA-N
-rxn:5:178226:222959:227710,Cc1cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(OS(C)(=O)=O)cc2)ccc1C1CCNCC1,WYKDTMMTHKTDTC-UHFFFAOYSA-N
-rxn:5:178295:223008:228965,COC(=O)C1(c2cc(-c3ccc([N+](=O)[O-])nc3)ccc2-c2cc(C3CCNCC3)ccc2F)CCC(=O)CC1,ATRQBNKQILWJHN-UHFFFAOYSA-N
-rxn:5:178295:223064:229228,COC(=O)C1(c2cc(-c3ccsc3C#N)ccc2-c2ccc(C3CCNCC3)nc2F)CCC(=O)CC1,ISTLKASTVBYPAU-UHFFFAOYSA-N
-rxn:5:178295:223343:227281,COC(=O)C1(c2cc(-c3cc(C#N)nc(C(C)C)c3)ccc2-c2ccc3c(c2)NC(=O)C3)CCC(=O)CC1,HIQBZVUDSOWVHS-UHFFFAOYSA-N
-rxn:5:178295:226910:228430,CCC(C)(C)c1ccc(-c2ccc(-c3c(F)cc(SC)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,IATDVCKQORNUHN-UHFFFAOYSA-N
-rxn:5:178295:226918:227841,COC(=O)C1(c2cc(-c3c(C)c(C)cc(C)c3C)ccc2-c2ccc(C3=CCCC3)cc2)CCC(=O)CC1,WXFZVLADCBGMCH-UHFFFAOYSA-N
-rxn:5:178295:227045:225887,COC(=O)C1(c2cc(-c3cc4cccc(C(F)(F)F)c4s3)ccc2-c2cccc(SC(C)(C)C)c2)CCC(=O)CC1,HIAWMQPNOQQJEC-UHFFFAOYSA-N
-rxn:5:178295:227309:227558,CCC(C)c1cc(-c2ccc(-c3ccc(OC(F)F)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,FTIPKADRBLFNKB-UHFFFAOYSA-N
-rxn:5:178295:227311:228275,CCC(C)c1cc(F)c(-c2ccc(-c3cc(C)cc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,WHSSLQQUMNUGBG-UHFFFAOYSA-N
-rxn:5:178295:227525:227983,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccccc2[Si](C)(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,DZRFRCXOISFPQZ-UHFFFAOYSA-N
-rxn:5:178295:227575:228189,CCSc1ccc(F)c(-c2ccc(-c3c(OC)ccc(OC)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,RXHZPJUCNGIHFP-UHFFFAOYSA-N
-rxn:5:178295:227808:227071,COCc1cc(C)c(-c2ccc(-c3ccc4c(c3)CCCC4)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,LJDCBNZYCGCBIQ-UHFFFAOYSA-N
-rxn:5:178295:228181:227052,COCc1cc(F)ccc1-c1ccc(-c2ccc(SC(C)(C)C)cc2)cc1C1(C(=O)OC)CCC(=O)CC1,KMONMHZUGRIBPE-UHFFFAOYSA-N
-rxn:5:178295:228692:223064,COC(=O)C1(c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2-c2ccc(CN(C)C)s2)CCC(=O)CC1,IVFFDZFHJTXMRO-UHFFFAOYSA-N
-rxn:5:178313:225394:223202,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCC3)cc(C3CC3)c2)c(-c2ccc(C3(O)CCC3)cc2)c1,ZUYFDEXISUJGTR-UHFFFAOYSA-N
-rxn:5:178313:225450:227052,CC(C)(C)Sc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C(=O)C3CCCC3)cc2)cc1,HXLBTVDWXAZSAJ-UHFFFAOYSA-N
-rxn:5:178313:225453:227052,CC(C)(C)Sc1ccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2cccc(SC3CCCCC3)c2)cc1,KOZCXFFCBXQIJZ-UHFFFAOYSA-N
-rxn:5:178313:226150:225679,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCCC3)c2)c(-c2ccc(N3CCCCC3)cc2F)c1,FGUHFSKTAIGHSQ-UHFFFAOYSA-N
-rxn:5:178313:226177:225811,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccnc(C3CCCCC3)c2)c(-c2ccc(C3(C(F)(F)F)CC3)cc2)c1,UWKGVQHFTDNBCG-UHFFFAOYSA-N
-rxn:5:178313:227037:225407,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C#N)ccc2C2CC2)c(-c2ccc(C3CCCCCC3)cc2)c1,OTCYAJXNMXUNLI-UHFFFAOYSA-N
-rxn:5:178313:227108:225407,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCC3)ccc2F)c(-c2ccc(C3CCCCCC3)cc2)c1,IBCGWWSVYIYJKA-UHFFFAOYSA-N
-rxn:5:178314:225498:226907,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCCCC3)ccc2F)ccc1-c1cccc2c1CCC21CC1,XQNHQLNXYDOAIQ-UHFFFAOYSA-N
-rxn:5:178314:226432:226067,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCC3)nc2F)ccc1-c1ccc(C2=CCCCC2)cc1,QDSGAWNFZBDHEA-UHFFFAOYSA-N
-rxn:5:178314:227089:225450,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccncc2C2CCCC2)ccc1-c1ccc(C(=O)C2CCCC2)cc1,CUKXJTOQRGOSRA-UHFFFAOYSA-N
-rxn:5:178314:227120:225407,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCC3)cc2F)ccc1-c1ccc(C2CCCCCC2)cc1,HIFZTABUYZDPET-UHFFFAOYSA-N
-rxn:5:178314:228016:225450,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCCC3)cs2)ccc1-c1ccc(C(=O)C2CCCC2)cc1,CBZNZVJWECZMDX-UHFFFAOYSA-N
-rxn:5:178315:225395:227044,CC(C)(C)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(C(=O)C4CC4)cc3)c2)cc(C2CC2)c1,DHLWTOHSKSLJPW-UHFFFAOYSA-N
-rxn:5:178315:226064:225498,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCC3)cc2)cc(-c2cc(C3CCCCC3)ccc2F)c1,AAFHGZFEKZWLTA-UHFFFAOYSA-N
-rxn:5:178315:226064:226189,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCC3)cc2)cc(-c2ccc(C3CCCC3)c(F)c2)c1,GXJOFSILFLAYFW-UHFFFAOYSA-N
-rxn:5:178315:226176:225820,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccncc2C2CCCCC2)cc(-c2c(C3CC3)cccc2C(F)(F)F)c1,QTCFCRCZURCBKK-UHFFFAOYSA-N
-rxn:5:178315:226447:227803,CN(C)S(=O)(=O)n1nccc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccnc(C3CCOCC3)c2)c1,ZYSIWGGDZBYXCY-UHFFFAOYSA-N
-rxn:5:178466:223062:225590,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(CN2CCCC2)c(F)c1,CLVAKEYZEURMHG-UHFFFAOYSA-N
-rxn:5:178467:223017:223058,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3cc4cccc(C(=O)OC)c4[nH]3)c2OC1,LNMJKRNODXQYPE-UHFFFAOYSA-N
-rxn:5:178467:223061:226644,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCOCC4)c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,HRVQRAJTYVUNBL-UHFFFAOYSA-N
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-rxn:5:178467:223063:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,OLPKXLCKQQWWBN-UHFFFAOYSA-N
-rxn:5:178467:223063:227507,CCOC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,KFBSYMHGDXINCS-UHFFFAOYSA-N
-rxn:5:178467:223064:223294,CCOC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,BEHNHZLTZMNFNV-UHFFFAOYSA-N
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-rxn:5:178467:223064:228320,CCOC(=O)C1=Cc2cc(-c3ccnc(C(=O)OC)c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,LYZZNZDXYVVCDS-UHFFFAOYSA-N
-rxn:5:178467:223066:225978,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCOCC4)nc3F)cc(-c3ccc4c(C(=O)OC)n[nH]c4c3)c2OC1,YKSTWHKWILCEPJ-UHFFFAOYSA-N
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-rxn:5:178467:223140:227531,CCOC(=O)C1=Cc2cc(-c3cc(F)cc(C(=O)OC)c3)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,XBAGMIPSLXMBHX-UHFFFAOYSA-N
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-rxn:5:178467:225601:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3ccc(C4(C#N)CCC4)cc3F)c2OC1,WUDZTWRNLKQOQC-UHFFFAOYSA-N
-rxn:5:178467:225602:223240,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNC4)nc3)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2OC1,UWHUWESCVIWPQP-UHFFFAOYSA-N
-rxn:5:178467:225671:223066,CCOC(=O)C1=Cc2cc(-c3ccc4c(C(=O)OC)n[nH]c4c3)cc(-c3cc(C4CCCCC4)ncc3F)c2OC1,JIAWTMXRNKELOG-UHFFFAOYSA-N
-rxn:5:178467:225834:228099,CCOC(=O)C1=Cc2cc(-c3cncc(N(C)CC)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,SRKABZRGVUNOJB-UHFFFAOYSA-N
-rxn:5:178467:226320:223142,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3)cc(-c3cc(C4(C#N)CC4)ccc3F)c2OC1,MOGLALPPJPTPLG-UHFFFAOYSA-N
-rxn:5:178467:226320:223240,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCNC4)nc3)cc(-c3cc(C4(C#N)CC4)ccc3F)c2OC1,DTTYEPBHFAJWAB-UHFFFAOYSA-N
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-rxn:5:178467:226581:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cccc(C(=O)N(C)C)c3F)c2OC1,KJPHZWCULPZAGB-UHFFFAOYSA-N
-rxn:5:178467:226661:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cc(N4CCN(C)CC4)cs3)c2OC1,UQZLUJFEBJDRRM-UHFFFAOYSA-N
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-rxn:5:178467:227768:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3cccn3S(=O)(=O)N(C)C)c2OC1,LUQRGNAGQOCHBV-UHFFFAOYSA-N
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-rxn:5:178467:228097:226427,CCOC(=O)C1=Cc2cc(-c3cc(N4CCC(C)CC4)cs3)cc(-c3cncc(CN(C)C)c3)c2OC1,DHQKFHNPVUHFGS-UHFFFAOYSA-N
-rxn:5:179396:225986:225805,CC(c1ccc(-c2cc(-c3ccccc3N3CCCS3(=O)=O)ccc2C(=O)C2CC2)s1)N1CCOCC1,YECDUYJBXHIBKH-UHFFFAOYSA-N
-rxn:5:179629:226429:226583,COc1ccc(-c2ccc(N3CCCC(C)C3)s2)c(S(C)(=O)=O)c1-c1ccc(CN2CCOCC2)s1,IGNJIGRJEVYCGT-UHFFFAOYSA-N
-rxn:5:180021:225986:227103,COc1c(-c2ccccc2N2CCCS2(=O)=O)cc(C2OCCO2)cc1-c1sccc1C1CCCCC1,OREZOFGWPMWOIA-UHFFFAOYSA-N
-rxn:5:180022:226197:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)ccc(-c2ccc(C3CCCOC3)cc2)c1C1OCCO1,LAEUHQSSOIZAJV-UHFFFAOYSA-N
-rxn:5:180022:226330:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)ccc(-c2ccc(C(C)N3CCCC3)s2)c1C1OCCO1,HYMNOFQGLNHXBO-UHFFFAOYSA-N
-rxn:5:180095:226036:225924,COc1c(F)cc(C(F)(F)F)cc1-c1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2C)c(OC2CCCC2)c1,MRKPKTCSPPIJDD-UHFFFAOYSA-N
-rxn:5:180203:226583:227768,CN(C)S(=O)(=O)n1cccc1-c1cc(OC2CCOCC2)cc(-c2ccc(CN3CCOCC3)s2)c1,USGDKYIZSUYEOG-UHFFFAOYSA-N
-rxn:5:180297:223002:227506,COc1cc(-c2ccc(C3CCNCC3)cc2F)c(C2(C)OCCO2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1,XYYCWIWEUQOTSM-JLHYYAGUSA-N
-rxn:5:180662:222409:226382,COC(=O)C1=Cc2cc(-c3cnc(C4CCCCC4)nc3)cc(-c3ccc(OC)c(S(N)(=O)=O)c3)c2OC1,FOBPULZPBBANRG-UHFFFAOYSA-N
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-rxn:5:180662:223285:225798,COC(=O)C1=Cc2cc(-c3ccc(OC4CCOCC4)nc3)cc(-c3ccccc3NS(C)(=O)=O)c2OC1,SLYRZMIQYMAKLF-UHFFFAOYSA-N
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-rxn:5:180662:225880:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3cc(C4CCOCC4)ncc3F)c2OC1,QRAMXVYFLXKEEY-RMKNXTFCSA-N
-rxn:5:180662:226973:222990,COC(=O)C1=Cc2cc(-c3ccc(N4CCC(O)CC4)cc3)cc(-c3ccc4c(c3)C(C)(C)CO4)c2OC1,JEFXOTCEUVRYDL-UHFFFAOYSA-N
-rxn:5:180662:227409:223056,COC(=O)C1=Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)cc(-c3cc(C(C)(C)C)ncc3F)c2OC1,JQYSJCBFCBADLD-UHFFFAOYSA-N
-rxn:5:180662:227710:222986,COC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCCNC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,MJSMXVUQAGUNGZ-UHFFFAOYSA-N
-rxn:5:181624:225832:226428,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(-c2cc(N3CCCCC3C)cs2)c1,KWGDLKJKUVGZTG-UHFFFAOYSA-N
-rxn:5:181626:225638:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2ccc(N3CCC(C)CC3)nc2)c1C1OCCO1,PGPGZBZPTDRKCJ-UHFFFAOYSA-N
-rxn:5:181626:225832:226425,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2ccc(N3CCCCC3C)s2)c1C1OCCO1,RXNUWVWCSUXHPR-UHFFFAOYSA-N
-rxn:5:181904:222957:222987,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C3CCNCC3)nc2C)cc(C2CCCNC2)c1,DQXPSALUGQFDMA-UHFFFAOYSA-N
-rxn:5:181904:225832:226159,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cccc(N2CCCCC2)c1,QIMIEIQVCMRKQK-UHFFFAOYSA-N
-rxn:5:181905:225407:225653,Cc1ccc(-c2ccc(N3CCCCC3C)nc2)c(C2OCCO2)c1-c1ccc(C2CCCCCC2)cc1,OJXGGVMQWYFXJE-UHFFFAOYSA-N
-rxn:5:181907:223148:225832,Cc1cc(-c2ccccc2C2CNCCO2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,KNILYVBTHFHLJA-UHFFFAOYSA-N
-rxn:5:181907:225607:226444,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccc(C3CCCO3)nc2C)c(C2OCCO2)c1,KBQPAEYAXVOVGV-UHFFFAOYSA-N
-rxn:5:181907:226186:225805,Cc1cc(-c2ccccc2C2CCOCC2)c(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1,JKBMPVVFFZCMPR-UHFFFAOYSA-N
-rxn:5:181907:226652:222996,Cc1cc(-c2cc(C)nn2C2CCCCO2)c(-c2ccc(F)cc2C2CCCNC2)c(C2OCCO2)c1,LKCPKLASLPRNSZ-UHFFFAOYSA-N
-rxn:5:181907:226686:222986,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2cc(C)nc(C3CCCNC3)c2)c(C2OCCO2)c1,FYVVBFTWULVULH-UHFFFAOYSA-N
-rxn:5:181908:225407:225655,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2cncc(N3CCC(C)CC3)c2)cc1C1OCCO1,OAZSAYLQMBCRHM-UHFFFAOYSA-N
-rxn:5:181908:226652:225407,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(C3CCCCCC3)cc2)n(C2CCCCO2)n1,MVUJLOQJWYVDGW-UHFFFAOYSA-N
-rxn:5:182011:225832:223138,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1ccnc(C2CCNCC2)c1,SSTUHKKIFDCYBX-UHFFFAOYSA-N
-rxn:5:183216:225823:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2cc(C(C)C)cc(C(F)(F)F)c2)cc2c1OC(C)(C)CC2=O,NAIHAHBKYFMTRA-UHFFFAOYSA-N
-rxn:5:183228:223054:226732,CC(c1ccc(-c2cc3c(c(-c4ccc(C#N)c(C(F)(F)F)c4)c2)OC(C)(C)CC3)s1)N1CCC(O)C1,CUELAMNKEVEDEQ-UHFFFAOYSA-N
-rxn:5:188385:225607:223064,CCOC(=O)c1cc(-c2ccc(C(C)N3CCCCC3)s2)cnc1-c1ccc(C2CCNCC2)nc1F,NNXZCBPUSAATLR-UHFFFAOYSA-N
-rxn:5:188445:227390:223065,COC(=O)c1cc(-c2ccnn2C2CCCCC2)cc([N+](=O)[O-])c1-c1ccc(N2CCNCC2)cc1F,FUZSJZIOGYWBBC-UHFFFAOYSA-N
-rxn:5:188632:225980:223065,COC(=O)c1nc(OC)c(-c2cc(N3CCOCC3)ncc2F)cc1-c1ccc(N2CCNCC2)cc1F,KDZFDPISHVUILG-UHFFFAOYSA-N
-rxn:5:188787:226740:222998,N#Cc1c(-c2cc([N+](=O)[O-])c(OC3CC3)cc2-c2cc(F)cc(C3CCCNC3)c2)cccc1C(F)(F)F,PHICHAFHYUFHJA-UHFFFAOYSA-N
-rxn:5:188867:222405:223006,CC(C)OC(=O)c1cc(-c2ccc(F)c(C3CCNCC3)c2)ncc1-c1cccc(C2NC(=O)NC2=O)c1,JYFHEENSHYHFSX-UHFFFAOYSA-N
-rxn:5:188874:222998:223006,CON(C)C(=O)c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1cc(F)cc(C2CCCNC2)c1,VFRWNRAYXVYTGH-UHFFFAOYSA-N
-rxn:5:188874:225879:223062,CON(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(N2CCOCC2)cc1F,XUHNLVRNJRILMF-UHFFFAOYSA-N
-rxn:5:188930:225607:226649,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C(C)N3CCCCC3)s2)cc1-c1cccnc1N1CCOCC1,UFFOZPKZBHIAFD-UHFFFAOYSA-N
-rxn:5:188930:227438:226330,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCOC3)c2)cc1-c1ccc(C(C)N2CCCC2)s1,GBNGIXQWFWZVJT-UHFFFAOYSA-N
-rxn:5:188932:225394:226374,COC(=O)c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)c(S(N)(=O)=O)c(-c2cncnc2C2CCCCC2)c1,CCHOJSVZDMZEKE-UHFFFAOYSA-N
-rxn:5:188932:226139:226181,COC(=O)c1cc(-c2ccc(C3=CCCCC3)nc2)c(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)c1,MJNUXASLGKDALK-UHFFFAOYSA-N
-rxn:5:188932:226452:222987,COC(=O)c1cc(-c2ccc(C3OCCCO3)cc2)c(S(N)(=O)=O)c(-c2ccc(C3CCNCC3)nc2C)c1,UNSOJFQEFHAHGV-UHFFFAOYSA-N
-rxn:5:188932:226649:226645,COC(=O)c1cc(-c2ccnc(N3CCOCC3)c2)c(S(N)(=O)=O)c(-c2cccnc2N2CCOCC2)c1,KBHJVKUFMMYJMZ-UHFFFAOYSA-N
-rxn:5:189000:225634:223006,Cc1cc(-c2cc(OC(C)C)c([N+](=O)[O-])cc2-c2ccc(F)c(C3CCNCC3)c2)cnc1N1CCCCC1,NENKVUTVSYTZOP-UHFFFAOYSA-N
-rxn:5:189078:223062:225639,CCN(C)C(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1cccnc1N1CCC(C)CC1,SYJRVVIQLNNACJ-UHFFFAOYSA-N
-rxn:5:189079:223006:226661,CCN(C)C(=O)c1ccc(-c2cc(N3CCN(C)CC3)cs2)c(-c2ccc(F)c(C3CCNCC3)c2)c1,RPQXAFDKBIQFRF-UHFFFAOYSA-N
-rxn:5:189079:223006:226662,CCN(C)C(=O)c1ccc(-c2ccc(N3CCN(C)CC3)s2)c(-c2ccc(F)c(C3CCNCC3)c2)c1,DFMNZXDUHHAFAS-UHFFFAOYSA-N
-rxn:5:189209:223063:228695,CN(C)Cc1cc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(F)nc(C4CCNCC4)c3)c2)cs1,LXNZFHBLUGCFQF-UHFFFAOYSA-N
-rxn:5:189209:225602:228701,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cnc(C5CC5)nc4)c3)c2)CCC1,DPEJJRADCUEPMA-UHFFFAOYSA-N
-rxn:5:189209:226320:223000,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccc(C5CCCNC5)c(F)c4)c3)c2)CC1,PLDIUEMBTKEODT-UHFFFAOYSA-N
-rxn:5:189210:228102:226679,CC(C)Cc1ncncc1-c1cccc(-c2cnc(N3CCCC3)cc2F)c1C(=O)ON1C(=O)CCC1=O,GDJZIWJCLJSGAO-UHFFFAOYSA-N
-rxn:5:189211:223132:228306,CC(C)Sc1ncc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cccc(N3CCNCC3)c2)cn1,RGPPVNNSSYPAEV-UHFFFAOYSA-N
-rxn:5:189211:223133:228306,CC(C)Sc1ncc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2ccccc2N2CCNCC2)cn1,JGSOPEIMGOIDEA-UHFFFAOYSA-N
-rxn:5:189211:226664:228306,CC(C)Sc1ncc(-c2c(C(=O)ON3C(=O)CCC3=O)cccc2-c2cc(N3CCCC3)ncc2F)cn1,GFZVOSZTTZLGEP-UHFFFAOYSA-N
-rxn:5:189212:223112:225671,CC(C)c1ccc2[nH]ncc2c1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cc(C2CCCCC2)ncc1F,QTLQVBKBKAZSCH-UHFFFAOYSA-N
-rxn:5:189212:223112:225674,CC(C)c1ccc2[nH]ncc2c1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cnc(C2CCCCC2)cc1F,HAWSMLPIVHKFMU-UHFFFAOYSA-N
-rxn:5:189212:225671:223112,CC(C)c1ccc2[nH]ncc2c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cc(C2CCCCC2)ncc1F,KBSYKBYLYQTGOO-UHFFFAOYSA-N
-rxn:5:189212:225674:223112,CC(C)c1ccc2[nH]ncc2c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1cnc(C2CCCCC2)cc1F,YJZHDBFIZADRBQ-UHFFFAOYSA-N
-rxn:5:189212:226320:228201,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cnc(C4CCC4)nc3)c2)CC1,QMHABDQHAIHHHU-UHFFFAOYSA-N
-rxn:5:189212:226679:228306,CC(C)Sc1ncc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cnc(N3CCCC3)cc2F)cn1,CCYINVGUVISXDJ-UHFFFAOYSA-N
-rxn:5:189212:227413:227278,N#CC1(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cnc(C4CCC4)cc3F)cn2)CC1,SZDAKABBUWDDCX-UHFFFAOYSA-N
-rxn:5:189212:228201:226320,N#CC1(c2ccc(F)c(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cnc(C4CCC4)nc3)c2)CC1,AZEXOZKCMWHXKA-UHFFFAOYSA-N
-rxn:5:189212:228236:226137,CC(C)c1ncc(C2CC2)cc1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccnc(F)c1C1CC1,KJHXLODEJDOFMR-UHFFFAOYSA-N
-rxn:5:189212:228306:226412,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(F)cc(N3CCCC3)c2)cn1,ZCMNFJUCMWFYGY-UHFFFAOYSA-N
-rxn:5:189212:228306:226679,CC(C)Sc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cnc(N3CCCC3)cc2F)cn1,LUMFCGBNQFUDLP-UHFFFAOYSA-N
-rxn:5:189666:225938:227755,CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2cc(C(F)(F)F)ccc2F)c(-c2cc(C(F)(F)F)ncc2C2CC2)c1,LOOBWMSXJNOGFZ-AVJKHPHFSA-N
-rxn:5:189668:227281:223006,CC(C)c1cc(-c2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2CC(=O)N2CCCC2)cc(C#N)n1,WJQJCHMWFKCSSB-UHFFFAOYSA-N
-rxn:5:189672:226064:226069,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(C3CCCCC3)cc2)c1-c1cccc(C2CCCCC2)c1,GUZOLJGKUVXWQN-YRRMYEEHSA-N
-rxn:5:189676:227045:225407,CC(C)(C)Sc1cccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2ccc(C3CCCCCC3)cc2)c1,YFSXOJJXXHPENB-UHFFFAOYSA-N
-rxn:5:189908:227047:225435,c1cc(SC2CCC2)cc(-c2cnc(-c3ccccc3CN3CCCCC3)c(OCC3CCCCC3)c2)c1,TVSAPUUJQFVXMD-UHFFFAOYSA-N
-rxn:5:189910:223260:225684,CNC(=O)c1cc(F)cc(-c2ccc(-c3ccc(C4CCOCC4)nc3C)c(CCN3CCOCC3)c2)c1,TZVITHBNSKVHTM-UHFFFAOYSA-N
-rxn:5:189910:226644:225976,Fc1c(-c2ccc(-c3cncc(N4CCOCC4)c3)cc2CCN2CCOCC2)ccnc1N1CCOCC1,CAAMAAAWWWTSPK-UHFFFAOYSA-N
-rxn:5:189952:226395:225849,COc1c(-c2cncc(N3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCCCC2)cc1F,NXIVIFMUFVZXDH-UHFFFAOYSA-N
-rxn:5:189952:227376:226644,COc1c(-c2cncc(N3CCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cncc(N2CCOCC2)c1,CAPRQMUHLUBLKT-UHFFFAOYSA-N
-rxn:5:190000:227018:225451,CC(C)(C#N)c1ccc(-c2cc(-c3ccc(SC4CCCCC4)cc3)ccc2CC(=O)N2CCCCC2)cc1,TXLKJQKCDPLFNM-UHFFFAOYSA-N
-rxn:5:190097:226185:223054,CC(c1ccc(-c2ccc(-c3ccc(C4CCOCC4)cc3)cc2CCN2CCCCC2)s1)N1CCC(O)C1,VHCLRWIGXOEVRC-UHFFFAOYSA-N
-rxn:5:190127:225453:227902,CCc1cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2C(=O)N2CCC(OC)CC2)ccc1C#N,DSKODKMBFLIOFD-UHFFFAOYSA-N
-rxn:5:190128:226762:226839,COC1CCN(C(=O)c2ccc(-c3cc(SC)cc(C(F)(F)F)c3)c(-c3cc(C(F)(F)F)ncc3C#N)c2)CC1,LHEOPFQPEHPAET-UHFFFAOYSA-N
-rxn:5:190128:227049:227613,CCOc1c(C)cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2cnn(C3CCOCC3)c2)cc1C,ZJHAKUWQDCVOGB-UHFFFAOYSA-N
-rxn:5:190132:227045:226910,CCC(C)(C)c1ccc(-c2cc(-c3cccc(SC(C)(C)C)c3)ccc2C(=O)N2CCC(OC)CC2)cc1,GOZHDSLPQLTBNG-UHFFFAOYSA-N
-rxn:5:190194:226050:222960,COC1CCN(Cc2cccc(-c3c(F)cc(OC(F)(F)F)cc3F)c2-c2cc(C)cc(C3CCNCC3)c2)CC1,HAMZXMUKCQFWKM-UHFFFAOYSA-N
-rxn:5:190195:222417:225881,CC(C)c1[nH]c(=O)ncc1-c1ccc(CN(C)C2CCOCC2)cc1-c1ccc(C2CCOCC2)nc1F,JLFSIBANMWSPSK-UHFFFAOYSA-N
-rxn:5:190197:222417:223065,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1CN(C)C1CCOCC1,YZOKIHIARKKQNZ-UHFFFAOYSA-N
-rxn:5:190199:223113:223056,CN(Cc1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,DQFCSXXIYBMKEE-UHFFFAOYSA-N
-rxn:5:190201:226049:223421,CNC(C)c1ccc(-c2ccc(-c3cc(F)c(OC(F)(F)F)c(F)c3)cc2CCN2CCOC(C)C2)s1,MOANCTCTSXHNAS-UHFFFAOYSA-N
-rxn:5:190264:225454:225886,CC1CCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3ccc(C4=CCN(C)CC4)cc3)c2)CC1,OHXXWGYYGKBIPK-UHFFFAOYSA-N
-rxn:5:190264:225886:225407,CC1CCN(C(=O)Cc2ccc(-c3ccc(C4CCCCCC4)cc3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)CC1,MUQOQNFTSLGRBB-UHFFFAOYSA-N
-rxn:5:190265:226136:225886,Cc1cc(C#N)c(-c2cc(CC(=O)N3CCCC(C)C3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)cc1C1CC1,QOOVIURKKJYUII-UHFFFAOYSA-N
-rxn:5:190335:225815:225936,COc1c(-c2ccc(C3CC3)cc2C(F)(F)F)cc(C(=O)N2CCCCC2C)cc1-c1cc(C(F)(F)F)cnc1C(C)C,HQDFPCSBJDTFKJ-UHFFFAOYSA-N
-rxn:5:190418:225607:223004,Cc1cc(-c2ccc(C3CCNCC3)c(F)c2)ccc1N1C(=O)CC(Cc2ccc(-c3ccc(C(C)N4CCCCC4)s3)cc2)C1=O,NGBKSTRHZWTTIM-UHFFFAOYSA-N
-rxn:5:190484:223147:228895,O=C(c1cccc(-c2ccc(C3CNCCO3)cc2)c1)N1CCC(c2ccccc2-c2ccc([N+](=O)[O-])cc2)S(=O)(=O)CC1,CMLVVTRNSTZNQG-UHFFFAOYSA-N
-rxn:5:190484:226062:228218,CC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CC5)ncc4F)S(=O)(=O)CC3)c2)cc(C(C)C)c1,VVGAUEVAVQRIFN-UHFFFAOYSA-N
-rxn:5:190484:227045:227029,CC(C)(C)Sc1cccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccccc4C(C)(C)C#N)S(=O)(=O)CC3)c2)c1,QBEGECOFMBMIJO-UHFFFAOYSA-N
-rxn:5:190484:227155:225498,Cc1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C5CCCCC5)ccc4F)S(=O)(=O)CC3)c2)cc2c1cnn2C,NOHZLXPPRFPDIS-UHFFFAOYSA-N
-rxn:5:190484:227300:228312,COc1cnc(C#N)cc1-c1ccccc1C1CCN(C(=O)c2cccc(-c3cncc(OC4CCC4)c3)c2)CCS1(=O)=O,IYWXHZBDKUBZJE-UHFFFAOYSA-N
-rxn:5:190484:227525:228220,CCc1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)C)ncc3F)S(=O)(=O)CC2)c1,CALDCSQSNPSVSM-UHFFFAOYSA-N
-rxn:5:190484:227944:227102,CC(C)(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ccc4F)S(=O)(=O)CC3)c2)c1,RNXKVFNEYXLJJZ-UHFFFAOYSA-N
-rxn:5:190647:225849:225607,CCOC(=O)c1cc(-c2ccc(C(C)N3CCCCC3)s2)nc2cc(-c3cnc(N4CCCCC4)cc3F)ccc12,VRVRBUNBAUJFHJ-UHFFFAOYSA-N
-rxn:5:190680:226137:223007,CC(=O)Oc1cn(C(C)=O)c2ccc(-c3cc(C4CC4)cnc3C(C)C)c(-c3cc(F)cc(C4CCNCC4)c3)c12,GGEVPNVUJKRGJF-UHFFFAOYSA-N
-rxn:5:190740:223065:225633,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3F)cc2c1-c1ccc(N2CCCCCC2)nc1,RTHAJDVJIPESLF-UHFFFAOYSA-N
-rxn:5:190740:225631:223006,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCN(C)CC4)cc3)cc2c1-c1ccc(F)c(C2CCNCC2)c1,XHISKHZYLBKLQR-UHFFFAOYSA-N
-rxn:5:190740:225784:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(CN4CCOCC4)nc3)cc2c1-c1cc(N2CCCCC2)ncc1F,YMCXRXGEMRXLJR-UHFFFAOYSA-N
-rxn:5:190740:225833:225638,CCOC(=O)c1cnc2c(C)cc(-c3ccnc(N4CCCCC4)c3F)cc2c1-c1ccc(N2CCC(C)CC2)nc1,OGAXCBKJCPNSBC-UHFFFAOYSA-N
-rxn:5:190740:225849:225638,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccc(N2CCC(C)CC2)nc1,GZYQQDSRVHSOBB-UHFFFAOYSA-N
-rxn:5:190740:225849:225641,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCCCC4)cc3F)cc2c1-c1ccnc(N2CCCC(C)C2)c1,WXIPMZBVOOKWNZ-UHFFFAOYSA-N
-rxn:5:190740:225880:222987,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCOCC4)ncc3F)cc2c1-c1ccc(C2CCNCC2)nc1C,DDMXFGQFMUNZKM-UHFFFAOYSA-N
-rxn:5:190740:225978:225636,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCOCC4)nc3F)cc2c1-c1ccnc(N2CCC(C)CC2)c1,SOPOAKJYXXSBQZ-UHFFFAOYSA-N
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-rxn:5:190742:223062:225454,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1ccc(C2=CCN(C)CC2)cc1,OABDENUVSYTYHW-UHFFFAOYSA-N
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-rxn:5:190742:225684:225666,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCOCC4)nc3C)c2c1-c1cc(F)cc(N2CCCCC2)c1,IKQSBWDQIRYOOJ-UHFFFAOYSA-N
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-rxn:5:190742:225831:225666,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)c(C)c3)c2c1-c1cc(F)cc(N2CCCCC2)c1,RIZLQFZMTYMYPM-UHFFFAOYSA-N
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-rxn:5:190742:225976:225980,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1cc(N2CCOCC2)ncc1F,NBSLFTWTEBBUGG-UHFFFAOYSA-N
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-rxn:5:190742:225978:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCOCC4)nc3F)c2c1-c1ccc(N2CCNCC2)cc1F,DHTKMWZYARNGTR-UHFFFAOYSA-N
-rxn:5:190742:225982:225636,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1ccnc(N2CCC(C)CC2)c1,HOXHKBCCQVRLJA-UHFFFAOYSA-N
-rxn:5:190742:225982:225639,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)cc3F)c2c1-c1cccnc1N1CCC(C)CC1,BEECPGARGPKPCR-UHFFFAOYSA-N
-rxn:5:190742:226662:222991,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1ccc(N2CCCC(O)C2)cc1,RVSDBGYTQQLCDP-UHFFFAOYSA-N
-rxn:5:190743:223006:222986,CCOC(=O)c1cnc2c(C)c(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1cc(C)nc(C2CCCNC2)c1,HALOENKIIHPZCJ-UHFFFAOYSA-N
-rxn:5:190743:223064:225834,CCOC(=O)c1cnc2c(C)c(-c3ccc(C4CCNCC4)nc3F)ccc2c1-c1cc(N2CCCCC2)ncc1F,ZPRBISDXQVIVNX-UHFFFAOYSA-N
-rxn:5:190744:223062:225454,CCOC(=O)c1cnc2c(-c3cnc(C4CCNCC4)cc3F)c(C)ccc2c1-c1ccc(C2=CCN(C)CC2)cc1,KHBLTTFRVBNFAW-UHFFFAOYSA-N
-rxn:5:190744:225655:225980,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)c(C)ccc2c1-c1cc(N2CCOCC2)ncc1F,JDWOTJRBZBPNBJ-UHFFFAOYSA-N
-rxn:5:190744:225978:225982,CCOC(=O)c1cnc2c(-c3ccc(N4CCOCC4)nc3F)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,NAXAWNJMLLUISI-UHFFFAOYSA-N
-rxn:5:190744:225982:225881,CCOC(=O)c1cnc2c(-c3cnc(N4CCOCC4)cc3F)c(C)ccc2c1-c1ccc(C2CCOCC2)nc1F,HCVDTXDRQDRTSM-UHFFFAOYSA-N
-rxn:5:190796:223061:223144,CC(C)(C)OC(=O)n1cc(-c2cc(C3CCNCC3)ncc2F)c2c(-c3ccc(N4CCC(O)C4)cc3)cccc21,MUNUSYWVGIFNKI-UHFFFAOYSA-N
-rxn:5:190797:225407:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1cc(-c2ccc(C3CCCCCC3)cc2)cc2c1ccn2C(=O)OC(C)(C)C,FIWSDLLOSGTDDA-UHFFFAOYSA-N
-rxn:5:190798:226150:225450,CC(C)(C)OC(=O)n1cc(-c2cccc(SC3CCCC3)c2)c2cc(-c3ccc(C(=O)C4CCCC4)cc3)ccc21,LBZWTRVRDHSGSA-UHFFFAOYSA-N
-rxn:5:190799:225453:226150,CC(C)(C)OC(=O)n1ccc2c(-c3cccc(SC4CCCCC4)c3)c(-c3cccc(SC4CCCC4)c3)ccc21,MAHLFEOHAAUYQE-UHFFFAOYSA-N
-rxn:5:190832:223141:223064,CCOC(=O)c1cnc2cc(C)c(-c3cncc(C4CCNCC4)c3)c(C)c2c1-c1ccc(C2CCNCC2)nc1F,ICOVDNXRLQWEFI-UHFFFAOYSA-N
-rxn:5:190859:223063:222987,Cc1nc(C2CCNCC2)ccc1-c1c(-c2cc(F)nc(C3CCNCC3)c2)ccc2c1CCN2C(=O)OC(C)(C)C,ULLWESGOKPVWEG-UHFFFAOYSA-N
-rxn:5:190859:225407:228504,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C3CCCCCC3)cc1)c2-c1cccc2c1CCC2,ZPKINHSOPJCTSD-UHFFFAOYSA-N
-rxn:5:190859:225451:228511,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(SC3CCCCC3)cc1)c2-c1ccc(C2CC2)cc1,YBDFCSPHQCLBEM-UHFFFAOYSA-N
-rxn:5:190859:226146:228182,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(SC3CCCC3)cc1)c2-c1cccc(CC(F)F)c1,OKHQYAKVKNZRIL-UHFFFAOYSA-N
-rxn:5:190859:226150:227867,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CCCC3)c1)c2-c1cccc2c1OCCC2,LRWIAUMUEGTJJY-UHFFFAOYSA-N
-rxn:5:190859:226917:227045,Cc1cc(-c2ccc3c(c2-c2cccc(SC(C)(C)C)c2)CCN3C(=O)OC(C)(C)C)cc(C(C)(C)C)c1,ACXQZOYOFOAEJJ-UHFFFAOYSA-N
-rxn:5:190859:226920:227695,COc1cc(-c2c(-c3cc(C(C)(C)C)ccc3C)ccc3c2CCN3C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1,QBNIUZLGUGDACF-UHFFFAOYSA-N
-rxn:5:190859:227048:227525,CCc1cnc(C(F)F)cc1-c1c(-c2ccc(C(=O)C(C)C)cc2)ccc2c1CCN2C(=O)OC(C)(C)C,VBXCLTDCPXHTDZ-UHFFFAOYSA-N
-rxn:5:190993:225655:225881,CC1CCN(c2cncc(-c3ccc4c(c3)CN(CCc3ccc(-c5ccc(C6CCOCC6)nc5F)cc3)C(=O)CO4)c2)CC1,HPHMZGQGMOGBBJ-UHFFFAOYSA-N
-rxn:5:190997:225449:222987,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(C4CCNCC4)nc3C)c3cccnc23)c(C)cc1-c1cccc(OC2CCCCC2)c1,UMLLPZJCWQMYAG-UHFFFAOYSA-N
-rxn:5:190998:227924:223065,CCOc1ccc(-c2ccc3c(c2)CN(c2ccc(-c4ccc(N5CCNCC5)cc4F)cc2C(=O)OC)C(=O)CO3)c(C)c1,MZYCLRQJLIEQDW-UHFFFAOYSA-N
-rxn:5:191026:226910:226709,CCC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)cc(C(F)(F)F)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)cc1,OUPWNKQUVCQKHN-UHFFFAOYSA-N
-rxn:5:191026:227076:226188,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C)c([Si](C)(C)C)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,UOEGTXXKBWNKMQ-UHFFFAOYSA-N
-rxn:5:191026:227076:227827,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(C5CC5)ccc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,DLFLIGAHBBJEOM-UHFFFAOYSA-N
-rxn:5:191049:225705:223061,COc1cnc2c(-c3ccc4c(c3)CN(c3cc(OC)c(-c5cc(C6CCNCC6)ncc5F)cc3OC)C(=O)CO4)cc(C)cc2n1,WAOYPBWNGCVFIH-UHFFFAOYSA-N
-rxn:5:192234:222991:223062,COc1c(-c2cnc(C3CCNCC3)cc2F)cc(-c2ccc(N3CCCC(O)C3)cc2)cc1S(N)(=O)=O,HBBOXDHFBNXOKN-UHFFFAOYSA-N
-rxn:5:192234:225684:225784,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(-c2ccc(C3CCOCC3)nc2C)cc1S(N)(=O)=O,WXMGACZDZSXYRK-UHFFFAOYSA-N
-rxn:5:192234:225831:225447,COc1c(-c2ccc(OC3CCCCC3)cc2)cc(-c2cnc(N3CCOCC3)c(C)c2)cc1S(N)(=O)=O,BVXQUOWGKKNUNG-UHFFFAOYSA-N
-rxn:5:192234:225874:226583,COc1c(-c2ccc(CN3CCOCC3)s2)cc(-c2ccc(F)c(N3CCOCC3)c2)cc1S(N)(=O)=O,ZVCSURJFTJOSAD-UHFFFAOYSA-N
-rxn:5:192234:225926:222998,COc1c(-c2cc(F)cc(C3CCCNC3)c2)cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc1S(N)(=O)=O,AGBAOEFHFBOTTA-UHFFFAOYSA-N
-rxn:5:192235:222957:223006,COc1cc(-c2cc(C)cc(C3CCCNC3)c2)c(-c2ccc(F)c(C3CCNCC3)c2)cc1S(N)(=O)=O,VZAYBKOJQKIVSA-UHFFFAOYSA-N
-rxn:5:192236:222987:223062,COc1cc(-c2cnc(C3CCNCC3)cc2F)c(S(N)(=O)=O)cc1-c1ccc(C2CCNCC2)nc1C,URYUPVYFFAEHKA-UHFFFAOYSA-N
-rxn:5:192563:225601:223001,N#CC1(c2ccc(-c3cc(C(=O)N4CCC4)cc(-c4cc(C5CCCNC5)ccc4F)c3)c(F)c2)CCC1,XLJKOCFISNWLNP-UHFFFAOYSA-N
-rxn:5:193046:223006:226452,CC(C)(C)c1cc(-c2ccc(F)c(C3CCNCC3)c2)c(-c2ccc(C3OCCCO3)cc2)c([N+](=O)[O-])c1,PMEBYFLUSQVCBL-UHFFFAOYSA-N
-rxn:5:193052:226347:223063,Cc1cc(-c2ccc(C(=O)N3CCCC3)c(-c3cc(F)nc(C4CCNCC4)c3)c2)c(OC(C)C)cc1F,MNOAZUIFLSRXEV-UHFFFAOYSA-N
-rxn:5:193225:225810:227558,COc1ccc(-c2ccc(-c3ccc(OC(F)F)cc3C)c(C(=O)N3CCOCC3)c2)c(C2OCCO2)c1,SYWPNVFCAATEGB-UHFFFAOYSA-N
-rxn:5:193226:223061:226645,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccnc(N3CCOCC3)c2)c1)N1CCOCC1,DSHUMJIVCIXVQE-UHFFFAOYSA-N
-rxn:5:193227:226645:223006,O=C(c1cc(-c2ccnc(N3CCOCC3)c2)cc(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,MFAKKFZNBWPKIC-UHFFFAOYSA-N
-rxn:5:193228:227387:223006,O=C(c1cc(-c2ccnc(N3CCCC3)c2)cc(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCSCC1,SWQVHAADCXSUTH-UHFFFAOYSA-N
-rxn:5:193229:223062:223006,O=C(c1cccc(-c2cnc(C3CCNCC3)cc2F)c1-c1ccc(F)c(C2CCNCC2)c1)N1CCOCC1,JJTJUOIYNMLGFB-UHFFFAOYSA-N
-rxn:5:193229:227387:225655,CC1CCN(c2cncc(-c3c(C(=O)N4CCOCC4)cccc3-c3ccnc(N4CCCC4)c3)c2)CC1,DLCLTYNNKQTWGQ-UHFFFAOYSA-N
-rxn:5:193230:225982:223065,O=C(c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1ccc(N2CCNCC2)cc1F)N1CCOCC1,FFPVOIJGGAINRH-UHFFFAOYSA-N
-rxn:5:193331:226422:225800,O=C(c1ccc(-c2cc(-c3cc(F)ccc3N3CCCC3)ccc2CN2CCOCC2)cc1)N1CCSC1,GBGXSKIUSPDVTF-UHFFFAOYSA-N
-rxn:5:193382:223148:226429,CC1CCCN(c2ccc(-c3cc(-c4ccccc4C4CNCCO4)ccc3S(=O)(=O)N3CCOCC3)s2)C1,JBJBZXDKNVFYCG-UHFFFAOYSA-N
-rxn:5:193382:225607:223147,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(C4CNCCO4)cc3)c2)s1)N1CCCCC1,SKDLPZJPZJBZOT-UHFFFAOYSA-N
-rxn:5:193382:225834:226644,O=S(=O)(c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1cncc(N2CCOCC2)c1)N1CCOCC1,AGPOKNHZBGJYNM-UHFFFAOYSA-N
-rxn:5:193382:226067:222987,Cc1nc(C2CCNCC2)ccc1-c1cc(-c2ccc(C3=CCCCC3)cc2)ccc1S(=O)(=O)N1CCOCC1,GQYOMEVKJVMLSD-UHFFFAOYSA-N
-rxn:5:193382:226661:226185,CN1CCN(c2csc(-c3ccc(S(=O)(=O)N4CCOCC4)c(-c4ccc(C5CCOCC5)cc4)c3)c2)CC1,HDOXWCUFZKIONX-UHFFFAOYSA-N
-rxn:5:193460:225607:226030,COc1c(F)cc(-c2c(C(=O)N3CCCCC3)cccc2-c2ccc(C(C)N3CCCCC3)s2)cc1C(F)(F)F,YPQCHARWONNHNC-UHFFFAOYSA-N
-rxn:5:193464:226144:225407,C[Si](C)(C)C#Cc1ccc(-c2ccc(C3(C#N)CCCCC3)c(-c3ccc(C4CCCCCC4)cc3)c2)cc1,VNHAHQHNZSUGRF-UHFFFAOYSA-N
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-rxn:5:193506:225805:226583,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(CN4CCOCC4)s3)c2)s1)N1CCOCC1,WQXZNSBFFBWWPW-UHFFFAOYSA-N
-rxn:5:193506:225810:223139,COc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CCNCC4)nc3)c2)c(C2OCCO2)c1,VBCDKONXNKSNKB-UHFFFAOYSA-N
-rxn:5:193506:226042:225592,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2-c2cc(F)ccc2CN2CCCC2)CC1,JXTZIQNXJGSVFS-UHFFFAOYSA-N
-rxn:5:193506:226649:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2cccnc2N2CCOCC2)ccc1S(=O)(=O)N1CCC(=O)CC1,NSCSTLPTEAEVNQ-UHFFFAOYSA-N
-rxn:5:193506:227438:223287,CNS(=O)(=O)c1ccc(-c2cc(-c3ccnc(C4CCOC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1,XZXKXNJQIJKRNM-UHFFFAOYSA-N
-rxn:5:193506:227656:226335,N#Cc1cc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1C1COC1,WMPZTRPZSLMEJR-UHFFFAOYSA-N
-rxn:5:193506:227909:222995,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(N4CCCC(O)C4)c3)c2)ccn1,KJVVVGNVFKYFNC-UHFFFAOYSA-N
-rxn:5:193506:228103:223132,CC(C)Cc1ncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(N4CCNCC4)c3)c2)cn1,FOKDZZKBVKCTET-UHFFFAOYSA-N
-rxn:5:193506:228583:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2ccnc(C(C)C)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,AFTXHRJGPZGGIK-UHFFFAOYSA-N
-rxn:5:193506:229012:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2sccc2C(C)C)ccc1S(=O)(=O)N1CCC(=O)CC1,QVBONWOHRLHECL-UHFFFAOYSA-N
-rxn:5:193506:229015:222989,Cc1cc(N2CCNCC2)ccc1-c1cc(-c2ccsc2C(C)C)ccc1S(=O)(=O)N1CCC(=O)CC1,XABQGLCTIHCUHJ-UHFFFAOYSA-N
-rxn:5:193681:225602:227534,CCOc1cc(F)c(-c2ccc(-c3cc(C4(C#N)CCC4)ccc3F)cc2OC2CCN(C)CC2)c(F)c1,QECLHFYHEGLPJY-UHFFFAOYSA-N
-rxn:5:193711:225439:226778,COc1cc(-c2ccccc2C=C2SC(=S)N(c3ccc(-c4cccc(C(C)N5CCCC5)c4)cc3)C2=O)c(F)c(F)c1OC,CVHOVNROKFSFEZ-UHFFFAOYSA-N
-rxn:5:193748:225602:225886,CC1CCCN(C(=O)c2cc(-c3cc(C4(C#N)CCC4)ccc3F)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)C1,MXYMVRUKHKOTSH-UHFFFAOYSA-N
-rxn:5:193749:227309:227656,CCC(C)c1cc(-c2ccc(-c3cc(N4CCOCC4)cs3)c(C(=O)N3CCCCC3C)c2)cc(F)n1,YOTSQQVPABSIEO-UHFFFAOYSA-N
-rxn:5:193755:225805:225794,CC1CCCN(C(=O)c2cccc(-c3ccc(C(C)N4CCOCC4)s3)c2-c2cnc(OC3CCCCC3)nc2)C1,NDCCUNIJZNGPGU-UHFFFAOYSA-N
-rxn:5:193809:227710:223061,CC1CCN(Cc2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2-c2cc(C3CCNCC3)ncc2F)CC1,JONGXOQGIBKBQF-UHFFFAOYSA-N
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-rxn:5:194791:227458:223086,CN1CCOc2cc(-c3ccccc3N3C(=O)C4C(c5ccc(-c6cc7[nH]ncc7cc6C(F)(F)F)cc5)OC5(C(=O)c6ccccc6C5=O)C4C3=O)cnc21,SLUUHKBBCNTQJU-UHFFFAOYSA-N
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-rxn:5:196620:225834:225600,O=C1CCCN1c1ccc(-c2cccnc2OC2CCCCC2)cc1-c1cc(N2CCCCC2)ncc1F,UTCQNZGZEKTBLL-UHFFFAOYSA-N
-rxn:5:196794:223064:225980,O=C1COCCN1c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1-c1cc(N2CCOCC2)ncc1F,ZPLLUKHBYFUKHK-UHFFFAOYSA-N
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-rxn:5:196858:226686:225581,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1ccc(CN2CCOCC2)cc1,ZQFQDAQGYGAUDA-UHFFFAOYSA-N
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-rxn:5:197876:223190:228263,CNS(=O)(=O)c1ccc(F)cc1-c1cc2c(cc1-c1ccc(C(C)(F)F)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,OFNJVSJSKBOTSS-UHFFFAOYSA-N
-rxn:5:197876:223263:226085,CNC(=O)c1ccc(F)c(-c2cc3c(cc2-c2ccc4c(c2)CCC(C)(C)O4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,ZPHGXAQICRLOMU-UHFFFAOYSA-N
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-rxn:5:197876:225435:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccccc2CN2CCCCC2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,YVFQCXDEHRRCGO-UHFFFAOYSA-N
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-rxn:5:197876:225677:223356,CNC(=O)c1cccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AXBPTAAWGCRRSU-UHFFFAOYSA-N
-rxn:5:197876:225679:226611,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(N3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YKISRCYRYKIUQT-UHFFFAOYSA-N
-rxn:5:197876:225679:228625,CCc1ccc(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,LYSUOHHYNUUEDL-UHFFFAOYSA-N
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-rxn:5:197876:226062:228009,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C4CC4)c(F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)C)c1,LOYQTXKCEARXOI-UHFFFAOYSA-N
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-rxn:5:197876:226591:225455,Cc1ccc(N2CCCCC2)cc1-c1cc2c(cc1-c1ccc(OC(C)C)c(F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,CAUZCOAXANINDO-UHFFFAOYSA-N
-rxn:5:197876:226593:223309,CC(C)Nc1ccc(-c2cc3c(cc2-c2c(F)ccc(OC(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,LCFPCNBDZFFIEB-UHFFFAOYSA-N
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-rxn:5:197876:226611:227048,CCc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C(=O)C(C)C)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,OACJSTPXBBBJOU-UHFFFAOYSA-N
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-rxn:5:197876:226855:227816,CCCc1ccc(-c2cc3c(cc2-c2cnc(OC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,ZSUHZCPCDKAZSY-UHFFFAOYSA-N
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-rxn:5:197876:226917:226064,Cc1cc(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(C)(C)C)c1,VJKLBLFENPACKP-UHFFFAOYSA-N
-rxn:5:197876:226920:227788,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1cc(C(F)(F)F)cnc1F)C(=O)N(C(C)(C)C)S2(=O)=O,KPCSWPIFZYWBES-UHFFFAOYSA-N
-rxn:5:197876:226921:227764,Cc1cc(C)c(C2CC2)cc1-c1cc2c(cc1-c1cc(F)c(C(F)F)c(F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,SNJIWBAHIQFLTH-UHFFFAOYSA-N
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-rxn:5:197876:226973:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XIPAWLFOLCTNSF-UHFFFAOYSA-N
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-rxn:5:197876:227052:227115,Cc1cc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cc1C1CC1,DEIVTHKMIHWIEK-UHFFFAOYSA-N
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-rxn:5:197876:227068:226768,CSc1ccc(-c2cc3c(cc2-c2ccc(CC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,QWJNYASWCDIKQE-UHFFFAOYSA-N
-rxn:5:197876:227076:225466,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(N4CCCCC4C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MERDFVUFHPFEFO-UHFFFAOYSA-N
-rxn:5:197876:227076:227540,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(SC)cc(F)c2OC)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BNYBUVQNVZOVKS-UHFFFAOYSA-N
-rxn:5:197876:227079:225440,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4(C#N)CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,IDPJKSCBPNMRTL-UHFFFAOYSA-N
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-rxn:5:197876:227087:226926,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,RVJWCCSOQCBURH-UHFFFAOYSA-N
-rxn:5:197876:227100:227559,Cc1ccc(-c2cc3c(cc2-c2c(C)cc(C4CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1OC(F)F,OMSIEBJNSGZBPQ-UHFFFAOYSA-N
-rxn:5:197876:227102:226437,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,JVRBVILXYFVAQW-UHFFFAOYSA-N
-rxn:5:197876:227102:227078,COc1ccc(C2CC2)c(-c2cc3c(cc2-c2cc(C(C)(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ZRCFLHKIYQACES-UHFFFAOYSA-N
-rxn:5:197876:227108:227314,CC(C)Cc1ccc(-c2cc3c(cc2-c2cc(C4CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)n1,GZGQXPCNNORZJI-UHFFFAOYSA-N
-rxn:5:197876:227113:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(C4CC4)c(F)cc2C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,IPBYWUJTUOIBOH-UHFFFAOYSA-N
-rxn:5:197876:227117:227313,CCC(C)c1cc(-c2cc3c(cc2-c2cc(C4CC4)cc(C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cn1,XTKMFAGPCJIDOX-UHFFFAOYSA-N
-rxn:5:197876:227124:227094,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cnccc2C2CCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,RGYGUUDQLZQMNC-UHFFFAOYSA-N
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-rxn:5:197876:227314:227043,Cc1cc(OC(C)C)ccc1-c1cc2c(cc1-c1ccc(CC(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ZWXIATGAFCJVDM-UHFFFAOYSA-N
-rxn:5:197876:227319:227357,CCC(=O)c1cc(-c2cc3c(cc2-c2cc(CC(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,NYZTXCJMRRKAEC-UHFFFAOYSA-N
-rxn:5:197876:227408:228140,CC(c1ccc(-c2cc3c(cc2-c2cc(C4CCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)s1)N(C)C,WZSVESDZAFOQCN-UHFFFAOYSA-N
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-rxn:5:197876:227415:227531,COC(=O)c1cc(F)cc(-c2cc3c(cc2-c2ccc(C(C)(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JROBFYVFUUIPOC-UHFFFAOYSA-N
-rxn:5:197876:227503:226914,Cc1cc(CC(C)C)ccc1-c1cc2c(cc1-c1cc(OC(C)C)ncc1F)S(=O)(=O)N(C(C)(C)C)C2=O,UINNYTZLRRBTFJ-UHFFFAOYSA-N
-rxn:5:197876:227667:227075,COc1cc(-c2cc3c(cc2-c2c(F)ccc(C(C)=O)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,XKUJXUJHWVCBPC-UHFFFAOYSA-N
-rxn:5:197876:227673:223266,CNC(=O)c1ccc(F)cc1-c1cc2c(cc1-c1cccc(C(C)(F)F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,OSPAKJMXYBJYGU-UHFFFAOYSA-N
-rxn:5:197876:227673:225465,CN1CCC(c2cccc(-c3cc4c(cc3-c3cccc(C(C)(F)F)c3F)S(=O)(=O)N(C(C)(C)C)C4=O)c2)CC1,RQWZGLOWCCULIR-UHFFFAOYSA-N
-rxn:5:197876:227673:226151,Cc1cc(OC(C)C)c(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,UHKKVJDZQHWJAO-UHFFFAOYSA-N
-rxn:5:197876:227673:226154,COc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cccc(C(C)(F)F)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,LQNJGRNFQVIQPS-UHFFFAOYSA-N
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-rxn:5:197876:227706:227336,COc1cnc(C(F)F)c(-c2cc3c(cc2-c2ccc(F)cc2OC(C)C)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MZCRPBNQBDCOPL-UHFFFAOYSA-N
-rxn:5:197876:227713:225942,CC(C)c1ncc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,PMRBPTYSEOROGI-UHFFFAOYSA-N
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-rxn:5:197876:227713:226371,Cc1cc(N2CCCC2)ncc1-c1cc2c(cc1-c1cc(F)ccc1OC(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,CXEJRHFLFVDTCF-UHFFFAOYSA-N
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-rxn:5:197876:227716:227737,Cc1cc(C(F)(F)F)ncc1-c1cc2c(cc1-c1cccc(F)c1OC(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,KTGJKHVXENBUSR-UHFFFAOYSA-N
-rxn:5:197876:227718:226059,CC(C)c1ccc(-c2cc3c(cc2-c2ccc(OC(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,JDYWOGQRNLZBKW-UHFFFAOYSA-N
-rxn:5:197876:227718:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2ccc(OC(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NVVMIDBEZNKDHI-UHFFFAOYSA-N
-rxn:5:197876:227724:227280,CC(C)c1cnc(C#N)cc1-c1cc2c(cc1-c1cc(OC(F)F)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,JBKQTVPIGIGJIK-UHFFFAOYSA-N
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-rxn:5:197876:227782:226968,CC1(C)Cc2ccc(-c3cc4c(cc3-c3ccc(C(F)(F)F)nc3F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2O1,YXSNHVJFHWYQJL-UHFFFAOYSA-N
-rxn:5:197876:227785:227660,Cc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(F)nc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,VPWOZHAZNGAJQD-UHFFFAOYSA-N
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-rxn:5:197876:227815:226768,CCC(C)c1ccccc1-c1cc2c(cc1-c1ccc(SC)c(C(F)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,WSAFHJNNVODBSP-UHFFFAOYSA-N
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-rxn:5:197876:227907:225824,CCC(C)c1cncc(-c2cc3c(cc2-c2cc(C4CC4)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BDGOYJZMGNYAHT-UHFFFAOYSA-N
-rxn:5:197876:227912:226159,COC(C)c1ccc(-c2cc3c(cc2-c2cccc(N4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,LSTBVASSDIWOEZ-UHFFFAOYSA-N
-rxn:5:197876:227939:226762,COC(C)c1ccccc1-c1cc2c(cc1-c1cc(SC)cc(C(F)(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,CXTLDQOHURBUQV-UHFFFAOYSA-N
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-rxn:4:184718:223828,CCN1CCN(c2cc(-c3cccc(OCC(=O)N(C)C4CC4)c3)cc(C(F)(F)F)c2)CC1,MYKUVEYPBNRMSR-UHFFFAOYSA-N
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-rxn:4:185061:222577,Cc1ccc(NC(=O)c2ccc(-c3cc(Cl)cc(F)c3OCCN3CCCC(C(F)(F)F)C3)cc2)cc1Cl,OZDYAZDZDAJAGF-UHFFFAOYSA-N
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-rxn:4:187276:228809,CSc1ccc(Cl)c(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c1,ZEULCNBNZOFCQI-UHFFFAOYSA-N
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-rxn:4:187472:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1ccccc1N1C(=O)C(=Cc2cccc(OC)c2OC)SC1=S,PKKVOEVQYJAHQJ-UHFFFAOYSA-N
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-rxn:4:190475:223097,CNC(=O)c1cc(-c2ccc(C3CCCN3C(=O)C3CCCCC3)cc2)cc([N+](=O)[O-])c1,UOFRZPOSGHCBKS-UHFFFAOYSA-N
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-rxn:4:190846:222635,C[C@H](NC(=O)OC(C)(C)C)c1cccc(-c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1,BLDNKTSLOXORAV-INIZCTEOSA-N
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-rxn:4:190930:224609,CC(C)N(C(=O)c1ccncc1-c1cccc2c1CN(C(=O)OC(C)(C)C)CC2=O)C(C)C,FEYWBYSMABFAJC-UHFFFAOYSA-N
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-rxn:4:190958:222820,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)cc1F,DNDNKMOFBIKZNT-UHFFFAOYSA-N
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-rxn:4:191106:225007,CC(C)(C)OC(=O)N1CC2(CCOCC2)c2cc(-c3cccc(CN4CCCCC4)c3F)ccc21,HRQLOKOECBVJLZ-UHFFFAOYSA-N
-rxn:4:191109:225102,CCN(CC)C(=O)c1cc(-c2ccc(OC)cc2C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)ccc1F,HYPFACWRCJHQOF-UHFFFAOYSA-N
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-rxn:4:191124:223919,CN(C(=O)c1ccc(-c2ccc3c(c2)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)cc1Cl)C1CCCCC1,DHZYKKOYSAKDJU-UHFFFAOYSA-N
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-rxn:4:191187:222944,O=C1c2oc3ccc(-c4ccc(S(=O)(=O)NC5CC5)cc4F)cc3c(=O)c2C(c2ccc(F)cc2)N1CC1CCCO1,HXSUYMAUBBJDCF-UHFFFAOYSA-N
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-rxn:4:192223:223559,COc1ncc(C(C)(F)F)cc1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,DUXPNTQSPVHXLT-UHFFFAOYSA-N
-rxn:4:192772:223753,CSC1=NC(=Cc2ccc(-c3ccc(C)c(OCCCN4CCN(C)CC4)c3)cc2)C(=O)S1,QLYKAPWATDSLBG-UHFFFAOYSA-N
-rxn:4:193125:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(N4CCCC4=O)cc3C(F)(F)F)cc2)CC1,WGZOAXLQOIIDRX-UHFFFAOYSA-N
-rxn:4:193268:224359,CCN(CC)C(=O)c1cc(-c2ccc(Cl)c(F)c2C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,PTWAPYTVOICVCT-UHFFFAOYSA-N
-rxn:4:193289:224666,CCN1C(=O)C(=Cc2ccc(F)c(-c3ccc(F)c(CN4CCN(C)CC4)c3)c2)SC1=S,DWRDVGFFMSZKBP-UHFFFAOYSA-N
-rxn:4:193333:223712,COc1ccc(-c2ccc(CN3CCOCC3)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2,WLYNMQIFISNLED-UHFFFAOYSA-N
-rxn:4:193497:224198,CCN1CCN(Cc2ccc(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)c(F)c2)CC1,AFYWZPHCHRRQTL-UHFFFAOYSA-N
-rxn:4:193509:224491,CC(C)N(Cc1cc(-c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc2F)ccc1F)C(C)C,ONMJXCJHLUFFLM-UHFFFAOYSA-N
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-rxn:4:193781:224751,Cc1cc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)ccc1C(=O)N1CCC(F)(F)CC1,LEOGJTVOHVEZGX-UHFFFAOYSA-N
-rxn:4:193850:223699,CCc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc(N2CCC(F)(F)CC2)c1,JFJXEPFULVEFII-UHFFFAOYSA-N
-rxn:4:193909:223084,O=C1C(=Cc2ccc(-c3cnc(N4CCC(O)CC4)nc3)o2)SC(=S)N1C1CCCCC1,ZBWDSIQSOGKHRO-UHFFFAOYSA-N
-rxn:4:193930:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1cc(C(C)N2CCC(=O)CC2)ccc1C,QAZXEIUTHCIGQN-UHFFFAOYSA-N
-rxn:4:193940:223492,CCc1cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc(N2CCC(C)CC2)c1,CSVUZWQWAILDEJ-UHFFFAOYSA-N
-rxn:4:193987:224126,CCN1CCN(C(C)c2cccc(-c3ccccc3C(=O)N3CC4(COC(C)(C)OC4)C3)c2)CC1,YSKKRGRILKJLGY-UHFFFAOYSA-N
-rxn:4:193991:222856,COc1ccc(C2CCNCC2)cc1-c1cc(C)c(S(=O)(=O)N2CCCCCC2)cc1C,HTGHOKXUWCFTEQ-UHFFFAOYSA-N
-rxn:4:194402:223894,CN1CCN(CCCOc2cccc(-c3ccc(C(=O)N4CC5CC5C4)cc3F)c2)CC1,KIUXDLIUNPNBLB-UHFFFAOYSA-N
-rxn:4:194421:223834,Cc1cc(-c2cccc(C(=O)N3CC4CC3CS4)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,VARHANHVGVIVCU-UHFFFAOYSA-N
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-rxn:4:194506:223588,Cc1cc(-c2cccc3c2C(=O)C(=O)N3Cc2ccccc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,SUWCMPRMHLVSGA-UHFFFAOYSA-N
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-rxn:4:194537:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc2c(c1)N(CC(C)C)C(=O)CO2,YKOCAGQGEUCZJS-UHFFFAOYSA-N
-rxn:4:194649:223074,O=C(C1=Cc2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc2OC=C1)N1CCOCC1,JHHYAOCRHYMQKW-UHFFFAOYSA-N
-rxn:4:194650:223834,Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)cc(C)c1S(=O)(=O)N1CCN(C)CC1,YKHFINDNGGPMHY-UHFFFAOYSA-N
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-rxn:4:206165:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cc(C(=O)N4CCCC4)ccn3)c2)C1,LEPYZFWINKTILF-UHFFFAOYSA-N
-rxn:4:206232:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2nc(C(=O)N3CCC(F)(F)CC3)cs2)cnc1Cl,WQGWPXSDDFHAJI-UHFFFAOYSA-N
-rxn:4:206437:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(C(=O)N4CCSCC4)cnc3Cl)c(F)c2)CC1,GBBWJZRDNFNJKR-MXVIHJGJSA-N
-rxn:4:206449:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C(=O)N4CCOCC4)c(F)c3)cc2F)CC1,CNFZNVNUENLHOL-UHFFFAOYSA-N
-rxn:4:206572:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3cncn3CC3CCCCC3)c2)C1,UMGYCGOEEBQFBW-UHFFFAOYSA-N
-rxn:4:206648:223813,O=C(c1ccc(F)c(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)n1)N1CCC(F)(F)CC1,WRPJDKZUNPUHGJ-UHFFFAOYSA-N
-rxn:4:206717:223957,CC(C)(C)[Si](C)(C)OCc1c(F)cc(-c2cncc(CN3CCC(F)(F)CC3)c2)cc1F,PCEUWGUDBOEFOK-UHFFFAOYSA-N
-rxn:4:206718:223651,Cc1cc(C(=O)N2CCOCC2)ncc1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)nc1C,FITPGCCONZLHNV-UHFFFAOYSA-N
-rxn:4:206761:224369,CCN(CC)S(=O)(=O)c1cc(-c2cnc(N3CCC(C(F)(F)F)CC3)c(F)c2)c(F)cc1C,WREMHDKOFWGDRC-UHFFFAOYSA-N
-rxn:4:206958:224405,CC1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cn2)CC1,RCEJVEWPFKMTIN-UHFFFAOYSA-N
-rxn:4:207011:222465,c1cc(N2CCN(C3COC3)CC2)ccc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,SHYJYUHNDHJFCV-UHFFFAOYSA-N
-rxn:4:207026:224974,CN1CCN(Cc2ccccc2-c2cncc(C(=O)N3CCC4(CC3)OCCO4)c2)CC1,REKWTCMIINUYOP-UHFFFAOYSA-N
-rxn:4:207036:223598,CN1CCCN(Cc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)cc2)CC1,QIIPWMVNENYCTN-UHFFFAOYSA-N
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-rxn:4:207827:225334,O=C1N(c2ccc(-c3ccc(F)cc3COCC(F)(F)F)cc2)C2CS(=O)(=O)CC2N1c1cccc(Cl)c1,YGCWDVRXPTXTKL-UHFFFAOYSA-N
-rxn:4:207828:224589,CC1CCN(Cc2cc(F)ccc2-c2cccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)c2)CC1,WKSBNSFQKYIFCH-UHFFFAOYSA-N
-rxn:4:207829:222758,Cc1cc(-c2ccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)cc2)ccc1NC(=O)OC(C)(C)C,SMUIQMUZXRDNSP-UHFFFAOYSA-N
-rxn:4:207849:223835,Cc1ccccc1N1C(=O)N(c2cccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)c2)C2CS(=O)(=O)CC21,QNQWRCRMIJZVCB-UHFFFAOYSA-N
-rxn:4:207959:225641,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(N5CCCC(C)C5)c4)ccc2OC3C2CCCCC2)cc1,CBLCYDMGAVMIQM-UHFFFAOYSA-N
-rxn:4:209818:223687,Cc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1N1CCN(C)C1=O,DHXZJXIFKUOFMN-UHFFFAOYSA-N
-rxn:4:210499:223490,COc1ccn2c(-c3ccc(C)c(S(=O)(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(C)nc2c1,JNNUFKFWQYWNNV-UHFFFAOYSA-N
-rxn:4:210860:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc4ncn(C(C)(C)C)c4c(F)c3F)cc21,GQWLTOZPTWUJFB-UHFFFAOYSA-N
-rxn:4:211073:224307,CC(C)(C)[Si](C)(C)Oc1cc(F)c(-c2ccc3c(c2)N2CCCCC2=C(C#N)S3(=O)=O)c(F)c1,NBLNPNXQQRYHJY-UHFFFAOYSA-N
-rxn:4:211073:224845,CC(C)(C)c1cc(-c2ccc3c(c2)N2CCCCC2=C(C#N)S3(=O)=O)cc(C(C)(C)C)c1,WSSCWXVZVIVNTC-UHFFFAOYSA-N
-rxn:4:211099:224991,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CC5)nc(N5CCCC5)c4)ccc2OC32CCCC2)cc1,QLJSONBLXDSSFU-UHFFFAOYSA-N
-rxn:4:212508:223660,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nc(C#N)cn3COCC[Si](C)(C)C)s2)CC1,WKFPOBWDLBYLAV-UHFFFAOYSA-N
-rxn:4:212569:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cnn(CC3CN(C(=O)CSC4CCCC4)C3)c2)cc1,GFLYHCYDFPZOHC-UHFFFAOYSA-N
-rxn:4:212578:223522,CCSc1ccccc1C(=O)N1CC(Cn2cc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)cn2)C1,SNRJKYLMHDQJJQ-UHFFFAOYSA-N
-rxn:4:212607:222724,CCC(CC)C(=O)N1CCC(Oc2ncc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)cn2)CC1,QDTTUCMKHKNSLN-UHFFFAOYSA-N
-rxn:4:212610:224308,CCn1c(-c2ccc(-c3cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c3)cc2)cnc1SCC(=O)N1CCCC1,UNRUCPSKPNYRSD-UHFFFAOYSA-N
-rxn:4:212618:225555,CC(C)(C)OC(=O)c1ccc(-c2cnc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cn2)cc1,PMLOFNQKUBHEFD-UHFFFAOYSA-N
-rxn:4:212622:223812,O=C(Cc1ccc(F)cc1)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,UGBZFHFVMDOADG-UHFFFAOYSA-N
-rxn:4:212639:225233,CC1CCCN(c2cc(-c3cncc(CC(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2Cl)C1,MNFMMCQDFQMPRH-UHFFFAOYSA-N
-rxn:4:212663:223841,COC(=O)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1F,RNYZQFXRHUQGBJ-UHFFFAOYSA-N
-rxn:4:212685:222586,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NCCc5ccc(F)cc5)s4)cc3)CC2)c([N+](=O)[O-])c1,QHSBANRGJFYVFW-UHFFFAOYSA-N
-rxn:4:212690:222477,Cc1ccc(CNC(=O)c2cccc(-c3cnn(C)c3CN(C(=O)OC(C)(C)C)C3CCCCC3)c2F)cc1,PFBVDGGJFSZNFB-UHFFFAOYSA-N
-rxn:4:212694:224281,COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3-c3cc4c(OC)cc(OC)cc4nc3OC)CC2)C1=O,FLXXYAJMYAMNRU-UHFFFAOYSA-N
-rxn:4:212701:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(-c4cnc(SCC(=O)N5CCN(c6ccccc6F)CC5)o4)cc3)c2)CC1,RPHAZNHYKUQIIC-UHFFFAOYSA-N
-rxn:4:212722:226761,CSc1ccc(-c2ccc(CN(C(=O)N3CCN(C)CC3)S(=O)(=O)c3ccc(C)cc3)cc2)c(C(F)(F)F)c1,GKLZIRFRIQXIRA-UHFFFAOYSA-N
-rxn:4:212743:228360,CC(C)c1ncc(-c2ccc(N3CCN(CC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2)c(Cl)n1,ZXWIGAHJMPKHOS-UHFFFAOYSA-N
-rxn:4:212751:223491,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,KLKJBBMJTKFRMW-UHFFFAOYSA-N
-rxn:4:212814:223182,CCNS(=O)(=O)c1ccc(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1,FGJFRNIXONYIQB-UHFFFAOYSA-N
-rxn:4:212814:226099,CCCCOc1ccc(C)c(-c2c3c(nn2C(=O)OC(C)(C)C)C(C)(C)N(C(=O)OC(C)(C)C)C3)c1,UDNPUIXEDCNYBI-UHFFFAOYSA-N
-rxn:4:212839:223057,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(Cl)nc(C5CCCNC5)c4)ccn23)CC1,HKXZBDZTAKJAGT-UHFFFAOYSA-N
-rxn:4:212935:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2N2CC(COc3cccnc3)C2)c(C(F)(F)F)c1,FRWWFKUVQZIEAD-UHFFFAOYSA-N
-rxn:4:212944:222511,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)CC1,DCKIQWFTKPBFEA-UHFFFAOYSA-N
-rxn:4:212967:222546,O=C(C1CC1)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,XKFBSRFSXHFQLZ-UHFFFAOYSA-N
-rxn:4:212967:222723,O=C(C1CC1)N1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,IPWKTTKCQZBADJ-UHFFFAOYSA-N
-rxn:4:212973:222561,O=C(NCc1ccc(F)cc1)c1cccc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)c1,ZDUCOHYEEBMVLU-UHFFFAOYSA-N
-rxn:4:212988:222735,CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cccc(C(=O)NC4CCCCC4)c3)n2)CC1,MRMRCAQZAKDYRP-UHFFFAOYSA-N
-rxn:4:212996:223996,CN1CCN(c2ccc(-c3ccc(-c4ccc(SCC(=O)N5CCOCC5)nn4)cc3)c(C(F)(F)F)c2)CC1,JPMFUDZTQXMZOF-UHFFFAOYSA-N
-rxn:4:213058:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(OC4CCCN(C(=O)Cc5ccc(F)cc5)C4)nc3)cn2)CC1,ZUGNEVAXVNOZDO-UHFFFAOYSA-N
-rxn:4:213058:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cnc(OC3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cnc1Cl,BGHAWDCBIKEFSA-UHFFFAOYSA-N
-rxn:4:213105:222811,CC(C)(C)OC(=O)Nc1cc(-c2cccnc2OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)cc(Cl)n1,XRPOCOJRDVIFLL-UHFFFAOYSA-N
-rxn:4:213114:224670,CN1CCN(Cc2ccc(F)c(-c3cnc(OC4CCCN(S(=O)(=O)Cc5ccc(F)cc5)C4)nc3)c2)CC1,FXYSIKHSRWDGHJ-UHFFFAOYSA-N
-rxn:4:213124:222393,CC(C)CN(c1ncc(-c2cccc(C(=O)N[C@H]3CC[C@H](O)CC3)c2)cc1[N+](=O)[O-])C1CCCCC1,RAWHJZONWIMIQX-ALOJWSFFSA-N
-rxn:4:213131:224652,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c3)cn2)CC1,JKDSPRIHLKWBJZ-UHFFFAOYSA-N
-rxn:4:213134:224400,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)cn2)CC1,FBAKRHAMTBDOHT-UHFFFAOYSA-N
-rxn:4:213165:224991,COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1cc(C2CC2)nc(N2CCCC2)c1,RANQCQPRICRESV-UHFFFAOYSA-N
-rxn:4:213171:222606,Cc1noc(C)c1CC(=O)N1CCC(Oc2ncccc2-c2cccc(C(F)(F)F)c2C(=O)NC(C)(C)C)CC1,DYHWUHZUFWYKAB-UHFFFAOYSA-N
-rxn:4:213188:226224,CCOCCOc1ccc(-c2ccccc2C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)cc1,AYMGJMOXDVBQNI-UHFFFAOYSA-N
-rxn:4:213192:227468,CCN(CC)c1ncc(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(C(C)=O)CC3)n2)cn1,KMAFAMWXNWGYBY-UHFFFAOYSA-N
-rxn:4:213220:224132,CC1CN(c2ccc(-c3ccccc3C(=O)N(C)C3CCCCC3)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,FVUGZKVMBZERRK-UHFFFAOYSA-N
-rxn:4:213224:222684,CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c2)c[nH]1,XQTGYWSSJFQSBV-SANMLTNESA-N
-rxn:4:213229:223029,CC(C)OC(=O)Nc1ccc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1,LKIASFRQJYQDEB-UHFFFAOYSA-N
-rxn:4:213239:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cncc(C(=O)N2CCN(C(=O)C3CC3c3ccc(F)cc3)CC2)c1,HUDYAPLOQMBKFL-UHFFFAOYSA-N
-rxn:4:213239:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cncc(C(=O)N2CCN(C(=O)C3CC3c3ccc(F)cc3)CC2)c1,JSCWZSRUMYRSBW-UHFFFAOYSA-N
-rxn:4:213264:223027,CCCNC(=O)c1cc(F)cc(-c2ccc(CC(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)cc2)c1,QPZLZUVLBZULLW-UHFFFAOYSA-N
-rxn:4:213269:223959,CCN1CCN(C(=O)c2cc(-c3ccc(OC)cc3C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)ccc2Cl)CC1,SZZSBWLLWHVMAX-UHFFFAOYSA-N
-rxn:4:213281:223112,CC(C)c1ccc2[nH]ncc2c1-c1cccnc1OC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,ZMMLICTYOUUMGZ-UHFFFAOYSA-N
-rxn:4:213289:224481,CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccc(OCCCN3CCCC3)cc2)CC1,YPGYURDUMYSAOX-UHFFFAOYSA-N
-rxn:4:213290:226438,O=C(N1CCCC(Oc2ncc(-c3cnc(C4CCCC4)cc3F)cn2)C1)C1(c2ccccc2)CCOCC1,NABRZILICBEJAW-UHFFFAOYSA-N
-rxn:4:213291:223603,CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)Cc3ccc(-c4cc(OCc5cccnc5)c(OC(F)(F)F)cc4Cl)cc3)CC2)n1,GSCYVIXNAPHIHO-UHFFFAOYSA-N
-rxn:4:213337:224617,CCCCC(=O)N1CCN(c2nc3ccc(-c4ccc(OCCN5CCCC5)c(Cl)c4)cc3s2)CC1,UXHIVEMCMYQNKR-UHFFFAOYSA-N
-rxn:4:213354:224273,CC(C)(C)OC(=O)N1C2CC1CN(Cc1ccc(-c3cc4ncccc4n3C(=O)OC(C)(C)C)cn1)C2,RHFIVAKJCYDUPY-UHFFFAOYSA-N
-rxn:4:213364:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1cccnc1OC1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1,YRTNMNDIDSHYNM-UHFFFAOYSA-N
-rxn:4:213458:223916,COc1ccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N,VRKBUFHLTZFHHO-YAFWASLJSA-N
-rxn:4:213476:222705,N#CC1(C#N)[C@H](c2cccc(-c3cc(C4CCNCC4)cc(C(F)(F)F)c3)c2)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2c3ccccc3C=C[C@@H]21,CMXCISJFTHVDBP-XCANKZRNSA-N
-rxn:4:213480:223919,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N(C)C5CCCCC5)c(Cl)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OBFODYQUNTVCBA-KPOKQVIPSA-N
-rxn:4:213480:225312,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCCN(C)CC5)nc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QQYWXLWVUNILDC-JUAZSWLZSA-N
-rxn:4:213653:223811,O=C(c1cncc(-c2ccc(CN3CCC4(CC3)OCCO4)c(Cl)c2)c1)N1CC(CN2C(=O)COC2=O)C1,AYHVDBZYSULLJD-UHFFFAOYSA-N
-rxn:4:213653:226229,COCCCOc1cccc(-c2cncc(C(=O)N3CC(CN4C(=O)COC4=O)C3)c2)c1,UIVPEEIATLPVTE-UHFFFAOYSA-N
-rxn:4:213707:223748,O=C(c1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)ccc1Cl)N1CCC(Oc2ncccn2)C1,GMFHPEAJNZFESY-UHFFFAOYSA-N
-rxn:4:213730:223638,Cc1c(C(=O)N2CC(Cn3ccnc3)C2)cccc1-c1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1,HWKVXKFPKXRGDS-UHFFFAOYSA-N
-rxn:4:213755:224323,Cc1cc(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(C)c1S(=O)(=O)N1CCCC1,CJMCROSUASGDEP-UHFFFAOYSA-N
-rxn:4:213764:223489,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3)cn2)C1,UOHMCKFRXQFXAP-UHFFFAOYSA-N
-rxn:4:213766:225984,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cnc(Cl)c(N4CCOCC4)c3)co2)CC1,IOWZNCQPNFSYQR-UHFFFAOYSA-N
-rxn:4:213789:225105,CCN(CC)C(=O)c1ccc(-c2ccccc2C(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)cc1F,CJXZWVFTSODGGQ-UHFFFAOYSA-N
-rxn:4:213794:224321,CC1CCN(S(=O)(=O)c2cccc(-c3cnn(CC4CN(CC5CCCCO5)C4)c3)c2)CC1,FUCAZGNMEKEKKB-UHFFFAOYSA-N
-rxn:4:213798:224291,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(OCCN4CCOCC4)c(F)c3)cn2)C1,UVPZGWYEULYREH-UHFFFAOYSA-N
-rxn:4:213799:224758,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)ncn2)C1,WKFASVULDPKBFX-UHFFFAOYSA-N
-rxn:4:213802:225260,CCN(CC)S(=O)(=O)c1ccc(-c2cccnc2OC2CCN(S(=O)(=O)N(C)C)CC2)cc1,IJWSYKZSWWGKJQ-UHFFFAOYSA-N
-rxn:4:213838:225183,CC(C)(C)OC(=O)N1CCC(c2n[nH]cc2-c2ccc(OC3CCCCC3)nc2F)CC1,BQBJJGYENMIAMN-UHFFFAOYSA-N
-rxn:4:213840:226002,CC(=O)Oc1cc(-c2nccn2C2CCCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-],WAPLIZZKSLBPSG-UHFFFAOYSA-N
-rxn:4:213843:225231,CC1CCCCN1c1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3=O)c2)cnc1Cl,FVPOYTGAYVSTPH-UHFFFAOYSA-N
-rxn:4:213858:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc(-c2ccc(=O)n(CC(=O)N3CCSCC3)n2)cc1,ZJYBVOIDWHIJLO-UHFFFAOYSA-N
-rxn:4:213878:224286,CC(C)(C)OC(=O)N1CC2(CC(n3cc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cn3)C2)C1,QDSNKHISIVDZJU-UHFFFAOYSA-N
-rxn:4:213901:223062,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cnc(C3CCNCC3)cc2F)CC1,UFPCTPOROATSIT-UHFFFAOYSA-N
-rxn:4:213910:223286,CS(=O)(=O)Nc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,ZEZJVXZSIWTXMP-UHFFFAOYSA-N
-rxn:4:213930:224329,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(C(=O)N5CCC(=O)CC5)c(F)c4)cn3)C2)cc1F,QZKDQHACKOKILR-UHFFFAOYSA-N
-rxn:4:213959:223777,Cc1ccc(CN2CCC(Oc3ncc(-c4ccc5c(c4F)CCN(C(=O)OC(C)(C)C)C5)cn3)CC2)cc1,ORRAIPYGIKPRGJ-UHFFFAOYSA-N
-rxn:4:213963:222546,Cc1cnc(OC2CCN(Cc3ccc(F)c(-c4ccc(OCCNC5CCCCC5)c(F)c4)c3)CC2)nc1,AGHOOYJGCMJCRL-UHFFFAOYSA-N
-rxn:4:213969:224162,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(C(=O)N4CCC(N5CC(=O)N(C6CC6)C5=O)CC4)o3)cc21,JRUGQKUUZSBZRY-UHFFFAOYSA-N
-rxn:4:213986:222604,COc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)cc1S(=O)(=O)NC1CCCC1,SDZWKZGWRZFANG-UHFFFAOYSA-N
-rxn:4:214026:222800,Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cc(C)c1S(=O)(=O)NC(C)C,UETHMFNUPGCGKW-UHFFFAOYSA-N
-rxn:4:214026:229167,CN(C)c1nc(-c2cc(C(F)(F)F)cnc2N2CCCC(C(=O)N3CCOCC3)C2)cs1,HWXOPZUYPGHNJL-UHFFFAOYSA-N
-rxn:4:214033:223199,CC(C)[C@H]1COC(c2cc(-c3cccc(C4CCNC4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,WMYNEIVCGLEXJY-PXTZOULZSA-N
-rxn:4:214033:226971,CC(C)[C@H]1COC(c2cc(-c3ccc4c(c3)CCCOC4)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,PTIDDHDFJNOSFT-JWQCQUIFSA-N
-rxn:4:214061:222630,c1ccc([C@H]2COC(c3cc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc(C4=N[C@@H](c5ccccc5)CO4)n3)=N2)cc1,DJWQIBQZGZSJDS-VSJLXWSYSA-N
-rxn:4:214062:226712,CCN1CCN(Cc2ccc(-c3ccc(OCCOC)nc3F)cc2N2CCOCC2)CC1,MSEVVBGZVDSORK-UHFFFAOYSA-N
-rxn:4:214072:226352,Cc1cc(-c2cccc(N3C(=O)CC(N4CCN(Cc5ccccc5)CC4)C3=O)c2)c(Cl)cc1OC(C)C,RBUMDLVCDLLGPQ-UHFFFAOYSA-N
-rxn:4:214085:224644,Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(OCc4cccnc4)c3)cc2)N=C1C1CCCCC1,BVFCEKXSTNVJSS-UHFFFAOYSA-N
-rxn:4:214146:222899,CCCCNS(=O)(=O)c1ccc(-c2c(C(F)(F)F)nc3n2CCN(C(=O)OC(C)(C)C)C3)cc1,DVMIFXXFPWJVEH-UHFFFAOYSA-N
-rxn:4:214147:224482,CC(C)(C)OC(=O)N1CCn2c(-c3cccc(OCCCN4CCCC4)c3)nc(C(F)(F)F)c2C1,ROXFFEJVNTZGNN-UHFFFAOYSA-N
-rxn:4:214162:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccc3[nH]c(C(=O)N4CCN(CC(F)(F)F)CC4)cc3c2)CC1,GRBABBYXPTXUFW-UHFFFAOYSA-N
-rxn:4:214180:224329,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4ccc(C(=O)N5CCC(=O)CC5)c(F)c4)cn3n2)C1,HQXDUEHPCWLQBG-UHFFFAOYSA-N
-rxn:4:214203:224970,CC(C)(C)[Si](C)(C)Sc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(S(C)(=O)=O)CC3)c2)cc1,RFQVRDSCBLNERL-UHFFFAOYSA-N
-rxn:4:214219:224248,CC1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(Oc5nc6ccc(F)cc6s5)CC4)c3)cc2Cl)CC1,TZLAMQBWTGRYRQ-UHFFFAOYSA-N
-rxn:4:214254:224303,CC(C)[Si](C(C)C)(C(C)C)n1ncc2cc(-c3ccc(O[Si](C)(C)C(C)(C)C)c(F)c3F)cnc21,NQLMFBWOQMBYNL-UHFFFAOYSA-N
-rxn:4:214287:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cccnc1OC1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,RAPYESVSJJWETE-UHFFFAOYSA-N
-rxn:4:214291:226240,COC(=O)CCc1ccc(-c2ccc3nc([C@@H]4[C@H]5CC[C@H](C5)N4C(=O)OC(C)(C)C)[nH]c3c2)cc1,BBZOFBVKDAGTJK-BKSPAHHJSA-N
-rxn:4:214293:224853,Cc1cccc(C)c1-n1nc2c(c1-c1ccc(C3CCC(C)(C)CC3)cc1)CN(C(=O)OC(C)(C)C)C2,ZCUDMUMWDIMJCD-UHFFFAOYSA-N
-rxn:4:214306:224188,CC(C)N(C(=O)c1ccc(-c2cccc(C(=O)N3CCN(C(=O)c4cn(C)c5ccccc45)CC3)c2)c(Cl)c1)C(C)C,QRHGRRFDWYOENO-UHFFFAOYSA-N
-rxn:4:214477:224324,CN(C)S(=O)(=O)n1cc(-c2ccc(F)c(C(=O)N3CCC(=O)CC3)c2)c(C(F)(F)F)n1,HRRLDZGJWBJWBJ-UHFFFAOYSA-N
-rxn:4:214662:224411,CN(C)S(=O)(=O)c1ccc(-c2c(C(=O)N3CCC(C(F)(F)F)CC3)cnn2C)c(C(F)(F)F)c1,CUQAOBYHTKYQNZ-UHFFFAOYSA-N
-rxn:4:214668:222466,CCN1CCN(C(=O)c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)nc2)CC1,OOSIVGVFZFCIEL-UHFFFAOYSA-N
-rxn:4:214679:223671,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCC(C(F)(F)F)CC2)n1,BZQWEXBVZFOXLN-UHFFFAOYSA-N
-rxn:4:214682:222584,CCN1CCN(C(=O)c2ccc(F)c(-c3ccc(OCCCN4CCNCC4)c(F)c3)n2)CC1,COLOKFDMHKFXGW-UHFFFAOYSA-N
-rxn:4:214712:223681,CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2cc3cc([N+](=O)[O-])ccc3n2C(=O)OC(C)(C)C)cn1,FMYUUSMNOVJCIL-UHFFFAOYSA-N
-rxn:4:214714:223594,COC(=O)c1nc(N2CCN(C)CC2)ccc1-c1cc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,KCFWKTIIVUEUOH-UHFFFAOYSA-N
-rxn:4:214735:222624,CC(C)Cc1cc(-c2cnc(N3CCN(S(=O)(=O)C4CC4)CC3)c(F)c2)cc(C2CCNCC2)n1,WBCJUOKPPHIIMN-UHFFFAOYSA-N
-rxn:4:214773:222935,CC(C)N1CCN(S(=O)(=O)c2cncc(-c3ccc(CNS(=O)(=O)N(C)C)cc3)c2)CC1,KVFJHVZMCIMFCM-UHFFFAOYSA-N
-rxn:4:214836:222799,Cc1cc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)ccc1S(=O)(=O)NC(C)(C)C,ZIVVNTQRGUPZEM-UHFFFAOYSA-N
-rxn:4:214836:226231,CCCCOc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1C,AHOHBDOHHKQUFY-UHFFFAOYSA-N
-rxn:4:214839:223787,CN1CCN(CCCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCSCC5)C4)c(F)c3)cc2F)CC1,WZTHGWVGKVBAPH-UHFFFAOYSA-N
-rxn:4:214855:222865,CCCCNC(=O)c1ccc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)cc1Cl,ZRVXIIXTARAPEN-UHFFFAOYSA-N
-rxn:4:214872:226231,CCCCOc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1C,PKDLTLASAYVGHI-UHFFFAOYSA-N
-rxn:4:214873:225528,CCN(CC)C(=O)c1ccccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,VUXNTSGFLMUYOP-UHFFFAOYSA-N
-rxn:4:214880:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(C)c1,DOADGPMLOQNEBA-UHFFFAOYSA-N
-rxn:4:214890:222938,O=C(NCC(F)(F)F)c1cccc(-c2cncc(C(=O)N3CCCN(C4CCSCC4)CC3)c2)c1,NNDWZCJDMNJOIX-UHFFFAOYSA-N
-rxn:4:214896:224975,CCN1CCN(c2ccc(-c3cnc(N4CCC(C(=O)N5CCC(F)(F)CC5)CC4)c(C)c3)cc2)CC1,WZEYFRFUNGEAGP-UHFFFAOYSA-N
-rxn:4:215096:225159,CC1c2cnc(-c3cccc(C(=O)N4CCOCC4)c3)n2CCN1C(=O)OC(C)(C)C,FUYVMTDEIVXRTI-UHFFFAOYSA-N
-rxn:4:215097:223919,CC1CN(C(=O)OC(C)(C)C)Cc2cnc(-c3ccc(C(=O)N(C)C4CCCCC4)c(Cl)c3)n21,WZLDPECTOJHOHW-UHFFFAOYSA-N
-rxn:4:215101:222876,CC(C)(C)NC(=O)c1ccc(-c2ncc3n2CCN(C(=O)OC(C)(C)C)CC3)cc1F,APWXJCNYYFBLFC-UHFFFAOYSA-N
-rxn:4:215104:222912,CC(C)CNS(=O)(=O)c1ccc(-c2ncn3c2CCN(C(=O)OC(C)(C)C)CC3)cc1,NKIYELFZVGZXIR-UHFFFAOYSA-N
-rxn:4:215131:222829,CNS(=O)(=O)c1ccc(-c2c(C)nn(C(=O)C(C)N3C(=O)c4ccccc4C3=O)c2C)c(C(F)(F)F)c1,OUJCQAYHERSZTP-UHFFFAOYSA-N
-rxn:4:215189:224970,CC(C)(C)C(=O)N1CCN(c2nc3ccc(-c4ccc(S[Si](C)(C)C(C)(C)C)cc4)cc3s2)CC1,VFJQCJBCEMRMFV-UHFFFAOYSA-N
-rxn:4:215218:224371,COC(=O)C1CCN(c2ncc(-c3ccc(-c4noc(C5CC(=O)N(c6ccc7c(c6)OCCO7)C5)n4)cc3)cn2)CC1,CSWQBGCOXJJCSW-UHFFFAOYSA-N
-rxn:4:215298:224268,CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3)cc12,JCTJFTSUNNZLRD-UHFFFAOYSA-N
-rxn:4:215304:223138,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccnc(C5CCNCC5)c4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,ZGNDHPBWLOMCDR-UHFFFAOYSA-N
-rxn:4:215856:222514,COc1ccc(-c2cnc(N3CCCC(C)C3)cc2C#N)cc1S(=O)(=O)NC1CCCCC1,YSJWAHTXDHPLGL-UHFFFAOYSA-N
-rxn:4:215907:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)nc1,MYCNMVFYKODCAS-UHFFFAOYSA-N
-rxn:4:215961:224819,CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,AHVNEFONXSLHAP-UHFFFAOYSA-N
-rxn:4:215968:224100,CC1CCN(CCOc2ccccc2-c2cc(N3CCCCC3C)nc(C3CC3)n2)CC1,MOJSZVSTAMJVDV-UHFFFAOYSA-N
-rxn:4:216063:223500,COc1cc([N+](=O)[O-])c2c(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)n[nH]c2c1,IZOGOACSVOKIBQ-UHFFFAOYSA-N
-rxn:4:216262:223697,Cc1nn(-c2ccc(C#N)c(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)c2)c2c1C(=O)CC(C)(C)C2,IWVKNOAINXAHAG-UHFFFAOYSA-N
-rxn:4:217792:223669,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3csc4c(N5CCOCC5)nc(Cl)nc34)cn2)CC1,ZQVJLWCQYDJDRL-UHFFFAOYSA-N
-rxn:4:217851:223648,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nn(C4CCCCO4)c4c(Cl)cncc34)cc2)CC1,FZRVBKPSATZXFW-UHFFFAOYSA-N
-rxn:4:218580:222861,CCCCNC(=O)c1cc(-c2cnc(OC3CCN(C(=O)CCc4c(C)noc4C)C3)nc2)ccc1F,YLBMGTGBWOMHHG-UHFFFAOYSA-N
-rxn:4:218587:225178,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(CN5CCOCC5)cc4F)cn3)CC2)cc1,ZDFQGZROOHOUKM-UHFFFAOYSA-N
-rxn:4:218587:225997,CCOc1ncc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)cc1C(F)(F)F,PEARHSRGEAHYNL-UHFFFAOYSA-N
-rxn:4:218607:224653,COc1ccc(C(=O)N2CCCC(COc3ncc(-c4ccc(Cl)cc4OCC4CCCCO4)cn3)C2)cn1,NPOKZEUKPZCCJW-UHFFFAOYSA-N
-rxn:4:218674:227323,CCC(C)c1cc(-c2c(C)nn(CCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2C)cnc1Cl,DUVPZZPGSMSKJH-UHFFFAOYSA-N
-rxn:4:218681:224210,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4cccc(OCc5ccc(F)cc5Cl)c4)cn3)CC2)CC1,VBQVZFJEJBGYKY-UHFFFAOYSA-N
-rxn:4:218682:222963,CCCNC(=O)Cc1ccc(-c2cnc(OCC3CCCN(C(=O)C4CCN(C(C)=O)CC4)C3)nc2)cc1,FZUWPYBDPJASKC-UHFFFAOYSA-N
-rxn:4:218682:228291,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccc(Cl)n5ccnc45)cn3)C2)CC1,CDDHJYAJCBGDRT-UHFFFAOYSA-N
-rxn:4:218686:225980,CN1CCN(CC#CCOC2CCN(c3ccncc3-c3cc(N4CCOCC4)ncc3F)CC2)CC1,KBCXCBDABAGIQF-UHFFFAOYSA-N
-rxn:4:218694:222704,Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3ccc(C4CCNCC4)c(C(F)(F)F)c3)ccc2-c2nccs2)C1,CGXDRRACUGJDSX-JIPXPUAJSA-N
-rxn:4:218704:223812,Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cc3)n[nH]2)CC1,GKCRUEGALWRTSK-UHFFFAOYSA-N
-rxn:4:218718:224015,COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)cc3)c(C)nn12,SEMQNKYOUAPIBK-UHFFFAOYSA-N
-rxn:4:218721:224289,CCCCCCCn1c(-c2ccc(N(C)C(=O)OC(C)(C)C)cc2F)nc2c1c(=O)n(C)c(=O)n2C,HBZGTGUNEIUSGG-UHFFFAOYSA-N
-rxn:4:218749:223812,O=C(Cn1ccc2ccccc21)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,NBTDNQIZUZVJTJ-UHFFFAOYSA-N
-rxn:4:218766:224489,CC(C)N(Cc1ccc(F)cc1-c1cnc(OCC2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)nc1)C(C)C,DQWPTLAELLIRQK-UHFFFAOYSA-N
-rxn:4:218785:225984,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc1-2,ZPPWAKUEOQALTH-UHFFFAOYSA-N
-rxn:4:218802:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(-c4nnn(CC(=O)OC(C)(C)C)n4)c3)cc21,FCKHQGLLQAWIDN-UHFFFAOYSA-N
-rxn:4:218813:224356,CN(CC1CN(c2ncc(-c3cc4sc(Cl)cc4n3C(=O)OC(C)(C)C)cn2)C1)C(=O)C1CC1,JDUMNPPOIKJTKI-UHFFFAOYSA-N
-rxn:4:218867:226158,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccccc3N3CCCCC3)c2)no1,ACTONXKJKKBSCU-UHFFFAOYSA-N
-rxn:4:218868:223056,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCC(O)CC4)nc3)cc2)no1,HFDJLXLNUAPVJU-UHFFFAOYSA-N
-rxn:4:218879:224101,CC1CCN(CCOc2cccc(-c3cnc(OCC4CCN(C(=O)c5ccccn5)CC4)nc3)c2)CC1,OIVPNPCEJSWPID-UHFFFAOYSA-N
-rxn:4:218886:224327,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCCC(C)C4)c3)cn2)C1,MQOJHACFJOLOGZ-UHFFFAOYSA-N
-rxn:4:218886:224761,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cn2)C1,UAKYWHQZMRSGJU-UHFFFAOYSA-N
-rxn:4:218894:222546,N#Cc1cc(-c2ccc(OCCNC3CCCCC3)c(F)c2)cnc1N1CCC(COc2ccncc2Cl)CC1,QXCYYDVGDKWXAT-UHFFFAOYSA-N
-rxn:4:218900:223873,CC1CCN(C(=O)CCc2ccccc2-c2cnn(CC3CN(C(=O)c4cccc(N(C)C)c4)C3)c2)CC1,LMQQYAQHQAJADS-UHFFFAOYSA-N
-rxn:4:218917:226339,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3cc(C#N)cc(Cl)c3C3CC3)cn2)CC1,YVBUCHGSHLHRRZ-UHFFFAOYSA-N
-rxn:4:218917:227776,CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(-c3cc(C(F)(F)F)cnc3Cl)cn2)CC1,MIUDCNKWICGUFH-UHFFFAOYSA-N
-rxn:4:218919:222634,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(OCCNC4CCCC4)c(F)c3)C2)cn1,AILZGSAIZHOMQC-UHFFFAOYSA-N
-rxn:4:218919:223945,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(OCCCN4CCOCC4)c(F)c3)C2)cn1,QHTQPRKSEDQLHX-UHFFFAOYSA-N
-rxn:4:218944:227464,CCCCSc1ncc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)cn1,BKEWIADQJSKAAB-UHFFFAOYSA-N
-rxn:4:218948:224603,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ncc(-c3cccc4c3cnn4C3CCCCO3)cn2)CC1,PIGYXKQMGDXXEY-UHFFFAOYSA-N
-rxn:4:218970:222546,Cc1noc(C)c1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,JFOYQFUNZUXRPA-UHFFFAOYSA-N
-rxn:4:218971:224592,Cc1nc(C)c(C(=O)N2CCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)CC2)s1,RJAOVMGFKZKCIB-UHFFFAOYSA-N
-rxn:4:218972:224410,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCC(F)(F)F)c(C(F)(F)F)c4)cn3)C2)s1,HJSSWKIWWVVTEC-UHFFFAOYSA-N
-rxn:4:218976:226866,O=C1C(N2CCC(Oc3ncc(-c4cc(Cl)cc(OC(F)(F)F)c4)cn3)CC2)CCN1CC(F)(F)F,SCTONNBCPKENPX-UHFFFAOYSA-N
-rxn:4:218998:222546,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,BBVUJEKDKJXBBU-UHFFFAOYSA-N
-rxn:4:218998:225978,O=C(N1CCOCC1)N1CCCC(COc2ncc(-c3ccc(N4CCOCC4)nc3F)cn2)C1,IHDCBUOEMCOLER-UHFFFAOYSA-N
-rxn:4:219012:223900,CN(c1ncc(-c2ccc(CCO[Si](C)(C)C(C)(C)C)c(F)c2)cn1)C1CCCN(C(=O)OC(C)(C)C)C1,HNOMOTXTRQBHBM-UHFFFAOYSA-N
-rxn:4:219028:223071,CCS(=O)(=O)NCc1ccc(-c2c(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)cnn2C)cc1,AICFSZCGKIKTEF-UHFFFAOYSA-N
-rxn:4:219036:224196,CCN1CCN(Cc2cc(F)cc(-c3cccnc3OC3CCN(C(=O)c4sc(-n5cccc5)nc4C)CC3)c2)CC1,ALUNAJWHFXUMPT-UHFFFAOYSA-N
-rxn:4:219042:225292,CC(C)Oc1ccc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2C)cc1C(F)(F)F,BTEGYJBCGRLUQE-UHFFFAOYSA-N
-rxn:4:219044:225159,CC(C)c1nccn1CC1CCN(C(=O)c2cncc(-c3cccc(C(=O)N4CCOCC4)c3)c2)CC1,DYDQAPOILXQKDK-UHFFFAOYSA-N
-rxn:4:219046:226249,CCCCOc1cc(Cl)cc(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)c1,OWVJBVYWTIGZPC-UHFFFAOYSA-N
-rxn:4:219061:225954,CS(=O)(=O)N1CCC(C(=O)N2CCCC(Oc3ncc(-c4cnc(-c5cnccn5)cc4F)cn3)C2)CC1,FGYNRFTUSNCSSE-UHFFFAOYSA-N
-rxn:4:219071:222833,Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(-c5cccc(NC(=O)CCC(C)C)c5)cc4)CC3)n[nH]2)cc1,XWZPUAITOKWQMT-UHFFFAOYSA-N
-rxn:4:219072:227684,O=C(Cc1nnc(-c2cccc(-c3cnn(CC4OCCO4)c3)c2)o1)N1CCN(C2CCCCC2)CC1,LIHFGBHSTDOUJB-UHFFFAOYSA-N
-rxn:4:219093:223568,CCC(=O)C1=C(c2ccc(-c3cnc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3Cl)cc2)N(C(=O)CC)n2cnnc2S1,ZTYMNIPQOHTWKL-UHFFFAOYSA-N
-rxn:4:219093:224970,CCC(=O)C1=C(c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)cc2)N(C(=O)CC)n2cnnc2S1,UUGPHHZNRGHRBS-UHFFFAOYSA-N
-rxn:4:219096:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cnn(CC3CN(C(=O)CN4C(=O)c5ccccc5C4=O)C3)c2)c1,MFUGFUXPAIEBDQ-UHFFFAOYSA-N
-rxn:4:219120:224196,CCN1CCN(Cc2cc(F)cc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)c2)CC1,AWQCMNRSOHNGPW-UHFFFAOYSA-N
-rxn:4:219144:222777,O=C1c2ccccc2C(=O)N1CCN1CCC(Oc2ncc(-c3ccc(CN4CCC(O)CC4)c(Cl)c3)cn2)CC1,HYWAQWNNORTMOW-UHFFFAOYSA-N
-rxn:4:219371:223665,CC(C)(C)OC(=O)N1CCC(n2cnnc2-c2ccccc2COc2ccc(OC(F)(F)F)cc2)CC1,RAYRGGMGTSIGKR-UHFFFAOYSA-N
-rxn:4:219382:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(-n3cnn(CCN4CCOCC4)c3=O)c(F)c2)CC1,BCZIVEWFEICLGW-UHFFFAOYSA-N
-rxn:4:219388:222604,COc1ccc(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)o2)cc1S(=O)(=O)NC1CCCC1,NSPNDSDZNDHZHI-UHFFFAOYSA-N
-rxn:4:219388:223815,O=C(c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)o1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1,GMLADNYMQNPAIE-UHFFFAOYSA-N
-rxn:4:219410:224078,CC(C)(C)[Si](C)(C)n1ccc2c(-c3cnc(OC4CCN(S(=O)(=O)N5CCOCC5)C4)nc3)cccc21,IFMISXYBANISHP-UHFFFAOYSA-N
-rxn:4:219462:224203,COc1cc(C(=O)N2CCCCC2)ccc1-c1cnc(OC2CCCN(S(=O)(=O)N3CCCC3)C2)nc1,OSHUPQZRYRCMBN-UHFFFAOYSA-N
-rxn:4:219498:223959,CCN1CCN(C(=O)c2cc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3OC)ccc2Cl)CC1,ZLQSTSLUFSEXEW-UHFFFAOYSA-N
-rxn:4:219498:226479,CCCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c1Cl,ZMTZQVSJXGDYBD-UHFFFAOYSA-N
-rxn:4:219501:227291,CSc1ncc(-c2ccc(CN(C)C)c(F)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,YGACUKHPGXIFKO-UHFFFAOYSA-N
-rxn:4:219529:224400,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1,WONSHDATEJDYQR-UHFFFAOYSA-N
-rxn:4:219532:226708,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cc(C2OCCO2)ccc1Cl,SBBSHGQMVUYQHH-UHFFFAOYSA-N
-rxn:4:219541:223973,Cc1cnc(N(C)C2CCCN(C(=O)c3ccccc3-c3ccc(N4CCCC(C)C4)cc3C(F)(F)F)C2)nc1,DEZDUKQJQISCAF-UHFFFAOYSA-N
-rxn:4:219623:222746,CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)o2)cc1,CIEGYCZUHPHOML-UHFFFAOYSA-N
-rxn:4:219626:225889,C[Si](C)(C)CCOCn1nccc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c4nonc34)CC2)o1,OIPNSZFKTDIZRK-UHFFFAOYSA-N
-rxn:4:219653:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)CC1,VRADMOZZWXTNRP-UHFFFAOYSA-N
-rxn:4:219653:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c2)CC1,GCNZGYYXEUQXDI-UHFFFAOYSA-N
-rxn:4:219653:226662,CN1CCN(c2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)s2)CC1,FZTSYQBSNXJIPM-UHFFFAOYSA-N
-rxn:4:219654:224196,CCN1CCN(Cc2cc(F)cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c2)CC1,NMXZKXCYDVFEMP-UHFFFAOYSA-N
-rxn:4:219654:225212,CN1CCN(c2cc(F)cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c2)CC1,HLONYZPYRSJFTP-UHFFFAOYSA-N
-rxn:4:219658:223812,O=C(c1cc2ccccn2c1)N1CCCC(Oc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,RURWKVRAGFCSLV-UHFFFAOYSA-N
-rxn:4:219687:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2ccc3nnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,SBZZZEDXHUZFJM-UHFFFAOYSA-N
-rxn:4:219689:225882,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4cnc(Cl)c(C5CCOCC5)c4)n3c2)CC1,YCVGCTPZALPFCW-UHFFFAOYSA-N
-rxn:4:219704:226662,CN1CCN(c2ccc(-c3ccc4ncc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4c3)s2)CC1,NTCQDKJIZIAHRZ-UHFFFAOYSA-N
-rxn:4:219707:224975,CCN1CCN(c2ccc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)cc2)CC1,KGOAGMDLCNJKKW-UHFFFAOYSA-N
-rxn:4:219750:223580,COC(=O)c1ccc2c(c1)cc(-c1ccc(OC)cc1C(=O)N1CCCc3cnc(N4CCOCC4)nc31)n2C(=O)OC(C)(C)C,XWJLFJPREJRFHR-UHFFFAOYSA-N
-rxn:4:219773:223530,CCn1cc(-c2nc(-c3cccc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21,VPIFGFQGWCXTGN-UHFFFAOYSA-N
-rxn:4:219824:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2ccc(C(=O)N3CC(n4ccnn4)C3)o2)CC1,DWLZWJUJKLBNOW-UHFFFAOYSA-N
-rxn:4:219891:225209,Cc1nc(N2CCCCC2C)ncc1-c1cnn(CC2CN(C3CCN(C)C3=O)C2)c1,NJSHOVOXZCFYBK-UHFFFAOYSA-N
-rxn:4:219903:222694,CC(C)N1CCN(c2ncc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cc2[N+](=O)[O-])CC1,LYVIBFJZLOVURM-UHFFFAOYSA-N
-rxn:4:219904:223054,CC(c1ccc(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)s1)N1CCC(O)C1,OJHODIQOVLFOIX-UHFFFAOYSA-N
-rxn:4:219910:223670,Cn1ccnc(N2CCC(Oc3ccncc3-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1=O,VBNRHVSGOBXPQA-UHFFFAOYSA-N
-rxn:4:219959:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1F,SHJDQABLARXCKG-UHFFFAOYSA-N
-rxn:4:220028:223840,COC(=O)Cn1c(-c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)nc2c1c(=O)n(C)c(=O)n2C,LYISXOBBSGBIFU-UHFFFAOYSA-N
-rxn:4:220153:223597,O=C(c1ccccc1-c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1)N1CCC(c2nnc3ccccn23)CC1,JUXBMKRZAQSJOC-UHFFFAOYSA-N
-rxn:4:220204:224672,CCN1CCN(c2ccc(-c3ccc4ncnc(N5CCOC(C(=O)N6CCOCC6)C5)c4c3)c(Cl)c2)CC1,GTPUYOFRIMSGHD-UHFFFAOYSA-N
-rxn:4:220205:226249,CCCCOc1cc(Cl)cc(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)c1,GJKORUNDJWHHKW-UHFFFAOYSA-N
-rxn:4:220225:225746,CC(C)(C)OC(=O)c1ncccc1-c1ccc2ncnc(N3CCCC(C(=O)N4CCOCC4)C3)c2c1,BIBFYRVMWOVORK-UHFFFAOYSA-N
-rxn:4:220226:225525,CCOC(=O)CCc1ccccc1-c1ccc2nc(N3CCCC(C(=O)N4CCOCC4)C3)ncc2c1,IXMOIEKCZOARDY-UHFFFAOYSA-N
-rxn:4:220429:222852,OC1CCN(Cc2cccc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c2)CC1,IZNOKHBLKIZLRZ-UHFFFAOYSA-N
-rxn:4:220430:224251,CC1CCCN(C(=O)c2ccc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)c(F)c2)C1,VMPXQUAOKZXTSU-UHFFFAOYSA-N
-rxn:4:220430:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cnc(N2CCCN(C3CCSC3)CC2)nc1,HZAMVZNQLTWVLH-UHFFFAOYSA-N
-rxn:4:220519:223660,CCN1CCN(c2ncnc3ccc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cc23)CC1,DHNLLJCDCCDMNY-UHFFFAOYSA-N
-rxn:4:220536:223505,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)cc2)CC1,KBEOVRMCSRBOAH-UHFFFAOYSA-N
-rxn:4:220935:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cnc3ccc(N4CCOCC4)nn23)CC1,PCZJRAAFYUMSBV-UHFFFAOYSA-N
-rxn:4:220945:223660,CN1CCC(n2ncc3cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cnc32)CC1,KIVULXIVEZGSST-UHFFFAOYSA-N
-rxn:4:221107:225172,Cc1ncn(CC(=O)N2CCCC(COc3ncc(-c4cc(CN5CCOCC5)ccc4F)cn3)C2)c(=O)c1C,JLBIXTHLQCZAAS-UHFFFAOYSA-N
-rxn:4:221115:223242,CCOc1ccc(-c2ccnc(C3CCNC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,GNAZIBQCMSIYRO-UHFFFAOYSA-N
-rxn:4:221127:224655,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5F)cc4)nnn3c3ccsc23)CC1,BHXIVSAQGNRDOC-UHFFFAOYSA-N
-rxn:4:221128:222581,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)NC(C)C)c6ccccc56)cc4)nnn3c3ccccc23)C1,FEYPKECUVJFYOQ-UHFFFAOYSA-N
-rxn:4:221180:223786,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(Cl)c4)cn3)CC2)nn1C,KHWZVALNILLOGO-UHFFFAOYSA-N
-rxn:4:221188:224818,CC(C)c1nccc(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCSCC5)cc4)cn3)C2)n1,ANDKQMZDNGTXJJ-UHFFFAOYSA-N
-rxn:4:221195:223812,O=C(c1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)cc1)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1,ZTUDEQHBLXNDTF-UHFFFAOYSA-N
-rxn:4:221208:223508,Cc1cc(N2CCN(CCc3ccc(-c4ccc(N5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc4)cc3)CC2)nc(N2CCOCC2)n1,XKSIBBJFJXXFMX-UHFFFAOYSA-N
-rxn:4:221232:222546,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C1)CCOC2,YXQSOKCIZJFCTR-UHFFFAOYSA-N
-rxn:4:221233:224762,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5ccc(C(=O)N6CCOCC6)c(F)c5)c4)CC3)ccc2n1,ZOOTVIRDPHEOMP-UHFFFAOYSA-N
-rxn:4:221353:222522,COc1ccc(-c2cncc(C(=O)N3CCC(n4cc(C5CC5)nn4)C3)c2)cc1S(=O)(=O)N1CCC(O)CC1,XFCMFOGLKSUVMJ-UHFFFAOYSA-N
-rxn:4:221369:224620,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccc(CO[Si](C)(C)C(C)(C)C)nc4)cn3)C2)ccc1=O,POKFPZVCJPBDAR-UHFFFAOYSA-N
-rxn:4:221374:223596,Cn1ccnc(N2CCCC(COc3ncc(-c4ccc(Cl)cc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C2)c1=O,SRTSPXFPIAKHHS-UHFFFAOYSA-N
-rxn:4:221381:223534,Cc1nc(N2CCN(C(=O)c3cncc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)c3)CC2)cc(C(F)(F)F)n1,NBWLTYRLCRRBKH-UHFFFAOYSA-N
-rxn:4:221392:224063,Cc1nc(C)c(F)c(OCC2CCN(c3ncc(-c4cc(C5CC5)cc(N5CCCC(C)C5)c4)cn3)CC2)n1,NMKYWXPGALBWET-UHFFFAOYSA-N
-rxn:4:221416:225276,CCCOc1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)o2)ccc1C(F)(F)F,FCJIVYLVFUGQOT-UHFFFAOYSA-N
-rxn:4:221419:223951,CN1CCN(CCOc2ccc(-c3cnc(N4CCC(Cn5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2F)CC1,BQULXCONSJXAAB-UHFFFAOYSA-N
-rxn:4:221429:223024,CCCNC(=O)c1cc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)ccc1F,XVVSYJDLMVEABK-UHFFFAOYSA-N
-rxn:4:221442:224915,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3-c3ccc(N4CCCCC4C)cc3C)CC2)n1,UVPVHNMMGJFHQK-UHFFFAOYSA-N
-rxn:4:221444:223109,Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3-c3ccc(C(C)NC4CC4)cc3)CC2)n1,JOVZUBPWWDTTOQ-UHFFFAOYSA-N
-rxn:4:221507:224409,FC(F)(F)COc1cc(-c2cnc(OCC3CCCN(c4ncnc5c4CCC5)C3)nc2)cc(C(F)(F)F)c1,JKERIZDVXVFKRH-UHFFFAOYSA-N
-rxn:4:221573:224401,CC1CN(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccc(-c5ccc(C6COCCO6)c(C(F)(F)F)c5)cc4)c(=O)n3C)n2C1,AAUIUKMSPYFQAA-UHFFFAOYSA-N
-rxn:4:221667:223728,CCCCCC1CCC(c2ccc(-c3cnn(CC4CN(c5ncnc6c5CCC6)C4)c3)c(F)c2)CC1,UEVFYPRGTAGTDF-UHFFFAOYSA-N
-rxn:4:221726:222468,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc4cc(NC(=O)OC(C)(C)C)ccc4c3)cn2)CC1,FAAGIJJZYKENKA-UHFFFAOYSA-N
-rxn:4:221731:223697,O=c1cc2c(nn1CC1CCN(c3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)cn3)CC1)CCCC2,FZTDORNZDJINIQ-UHFFFAOYSA-N
-rxn:4:221736:226488,Cc1nc2c(c(N3CC4CN(C(=O)c5cncc(-c6ccc(OCCCF)c(F)c6)c5)CC4C3)n1)CCC2,DPSRVJSGBCZYGW-UHFFFAOYSA-N
-rxn:4:221791:223575,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,OVFVKXBLWBJHIN-UHFFFAOYSA-N
-rxn:4:221965:223166,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCNCC6)nc5)cc4)CC3)nn2)CC1,GJPKVNGQPZMRAN-UHFFFAOYSA-N
-rxn:4:221978:222684,Clc1cc(-c2cnc(N3CCC(COc4ccc5nc(C6CC6)cn5n4)CC3)nc2)ccc1OCCN1CCNCC1,BNJWGVACOQYDHH-UHFFFAOYSA-N
-rxn:4:221980:225870,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(F)cc(N6CCOCC6)c5)c4)sc3n2)CC1,XISJAZSYWBTSAT-UHFFFAOYSA-N
-rxn:4:221980:225877,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5ccc(Cl)cc5N5CCOCC5)c4)sc3n2)CC1,AZNLRBUYQZGGSE-UHFFFAOYSA-N
-rxn:4:221980:225878,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(Cl)cc(N6CCOCC6)c5)c4)sc3n2)CC1,KEEXKIGQMNMLMQ-UHFFFAOYSA-N
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-rxn:4:222079:223520,Cc1cc(C)nc(SCCn2c(-c3ccc(C(C)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc3c2c(=O)n(C)c(=O)n3C)n1,GMLMRPKGGRWWAH-UHFFFAOYSA-N
-rxn:4:222089:224965,O=C1C2N=NN(Cc3nc(-c4ccc(-c5cccc(OCC6CCOCC6)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,XFOCTEITTRCMGW-UHFFFAOYSA-N
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-rxn:4:222143:226025,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cnc(OC3CCOC3)nc2Cl)cc1,YLAQEAPVUABCKK-UHFFFAOYSA-N
-rxn:4:222165:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ccc(C(C)(C)C)nn5)CC4)nc3)c(F)cc2C)CC1,WKWUTHSTGGIAAX-UHFFFAOYSA-N
-rxn:4:222228:223592,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4nc(N5CCN(c6ccc7nccn7n6)CC5)sc4c3)c(Cl)c2)CC1,BVJNUIGHVQUXFR-UHFFFAOYSA-N
-rxn:4:222278:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6Cc5ccccc5)CC4)cc3)c2)CC1,TXPKFNVJIABRMP-UHFFFAOYSA-N
-rxn:4:222347:224377,Cc1nnc2ccc(N3CCCN(C(=O)c4cncc(-c5ccc(S(=O)(=O)N6CCN(C)CC6)cc5)c4)CC3)nn12,IJNSZUJTURJFSF-UHFFFAOYSA-N
-rxn:4:222355:223504,Cc1cn2nc(N3CCN(c4ncc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c([N+](=O)[O-])c5)cn4)CC3)ccc2n1,RSYVOENYROENSA-UHFFFAOYSA-N
-rxn:4:222362:222701,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCCNC7)cc(C(F)(F)F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,JQDUQNMVUOIWHG-UHFFFAOYSA-N
-rxn:4:222362:223640,CCOC12C(=O)c3cc(F)cc(-c4cc(-c5cn(Cc6cn7cc(CN8CCC(C)(C)CC8)ccc7n6)nn5)c5cn[nH]c5c4)c3C(=O)C1C2(C)C,HBJVQQZNDMYUOG-UHFFFAOYSA-N
-rxn:4:222363:224864,Cc1cc(CN2CCN(c3c(-c4ccc(CN(C(C)C)C(C)C)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GXENFWIGBCVSJF-UHFFFAOYSA-N
-rxn:4:222374:223659,Cc1cc(C)n(-c2cc(N3CCN(c4ncc(-c5cnn(CC6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)CC3)nc(C)n2)n1,LTOQLAGDZYGTRD-UHFFFAOYSA-N
-rxn:4:222387:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)c(F)cc2C)CC1,NHCCGZYGEFJYAD-UHFFFAOYSA-N
-rxn:4:222432:219903,CC(C)N1CCN(c2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cc2[N+](=O)[O-])CC1,DXCRYULFLHJXQO-UHFFFAOYSA-N
-rxn:4:222461:185107,CC(C)S(=O)(=O)c1ncc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1C(=O)OC(C)(C)C,JGBIZOCMSGXOEZ-UHFFFAOYSA-N
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-rxn:4:222523:197891,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C2CC2)C(=O)C3(C)C)c(C(F)(F)F)c1,HUZXCPURNZIIHJ-UHFFFAOYSA-N
-rxn:4:222540:218824,CN(CC1CN(c2ncc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cn2)C1)S(=O)(=O)C1CC1,HOTSMPFEYXPLNE-UHFFFAOYSA-N
-rxn:4:222541:219354,CN(C1CCN(c2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,VPSKLJNHSIHKKI-UHFFFAOYSA-N
-rxn:4:222581:184219,CC(C)NS(=O)(=O)c1ccc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3n2C(=O)OC(C)(C)C)c2ccccc12,MPZVRGMASDMILU-UHFFFAOYSA-N
-rxn:4:222581:199557,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C#N)c(OC3CN(C(=O)OC(C)(C)C)C3)c2)c2ccccc12,FRZVLWYRGMAGKT-UHFFFAOYSA-N
-rxn:4:222623:194456,CCC(C)c1cc(-c2ccc(S(=O)(=O)N3CC4CC3CS4)cc2)cc(C2CCNCC2)n1,UOUVSJWXEVZFDV-UHFFFAOYSA-N
-rxn:4:222632:218886,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cccc(C(=O)NCCN4CCCC4)c3)cn2)C1,MYLZIDVWLJUIGT-UHFFFAOYSA-N
-rxn:4:222741:218587,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cn3)CC2)cc1,QLJXDEQKTAVKLU-UHFFFAOYSA-N
-rxn:4:222742:187191,CCCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CCNCC3)nc(C3CC3)c2)cc1,JMAOUUZNTLRKJW-UHFFFAOYSA-N
-rxn:4:222751:174518,Cc1ccc(-c2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2F)cc1NC(=O)OC(C)(C)C,VBNQMIZPPWBXCS-UHFFFAOYSA-N
-rxn:4:222820:174656,CC(C)[Si](C#Cc1cccc2cccc(-c3ccc(S(=O)(=O)NC(C)(C)C)c(F)c3)c12)(C(C)C)C(C)C,MYSIRJILEFLPBR-UHFFFAOYSA-N
-rxn:4:222821:187561,CC(C)(C)NS(=O)(=O)c1cc(-c2ccc(Cl)c(C(=O)N3CCC(S(=O)(=O)C(C)(C)C)C3)c2)ccc1F,WHOTWMJNKUMGRP-UHFFFAOYSA-N
-rxn:4:222821:204604,CC(C)(C)NS(=O)(=O)c1cc(-c2cnc3c(c2)CCN(C(=O)OC(C)(C)C)C3)ccc1F,ZLAPXNXLLMUSHH-UHFFFAOYSA-N
-rxn:4:222940:187211,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(C3(F)CN(C(=O)OC(C)(C)C)C3)cc2)c1,WRHLTAAQWLEKBN-UHFFFAOYSA-N
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-rxn:4:222943:184693,CC(C)(C#N)S(=O)(=O)c1cc(OC(F)(F)F)cc(-c2ccc(F)c(S(=O)(=O)NC3CC3)c2)c1,MUVCPUKTXLMFOY-UHFFFAOYSA-N
-rxn:4:223070:174528,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1csc(NC(=O)OC(C)(C)C)c1,FBWIAAYWRZQYSZ-UHFFFAOYSA-N
-rxn:4:223080:185355,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,VFSLFCUZCQTCBG-UHFFFAOYSA-N
-rxn:4:223080:187276,CC(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)cc1,JJUDJSKVFVHIAS-UHFFFAOYSA-N
-rxn:4:223080:204723,CC(C)NS(=O)(=O)c1ccc(-c2ccc(N3C(=NC(=O)C(C)C)SC4CS(=O)(=O)CC43)cc2)cc1,YZYLHDCOYVWTTM-UHFFFAOYSA-N
-rxn:4:223081:178597,CNc1nnc(-c2ccc(-c3ccc(OC(=O)C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)cc3)cc2)s1,PRESHTVRGWPXAD-UHFFFAOYSA-N
-rxn:4:223520:186095,CCC(=O)C(C#N)c1ccccc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,VHCBTIPHVZWYRO-UHFFFAOYSA-N
-rxn:4:223540:195713,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(S(N)(=O)=O)c(Cl)cc1F,CLXCDLSQUYXQBB-UHFFFAOYSA-N
-rxn:4:223570:175339,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(F)cc3OC(=O)OC(C)(C)C)c(F)ncc21,HRBVPNVTIGEMSV-UHFFFAOYSA-N
-rxn:4:223570:176118,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(C(=O)OC(C)(C)C)cc(-c4cccc(Cl)c4F)c3)c(F)ncc21,GAGZUXZAYSQBON-UHFFFAOYSA-N
-rxn:4:223590:204409,CC(=O)CCn1ncc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)cc2c1=O,GYWURVSZIQPANO-UHFFFAOYSA-N
-rxn:4:223670:219861,Cc1c(C(=O)N2CC(n3nccn3)C2)cccc1-c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1,ZSRSILBAJXXRKW-UHFFFAOYSA-N
-rxn:4:223671:196041,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(F)cc3C3=NOC(=O)C3)ccn2)CC1,RZNFKWHXYKSODT-UHFFFAOYSA-N
-rxn:4:223671:209422,CC1=CC(=O)N(c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1=O,RWQACVDSRUCOHD-UHFFFAOYSA-N
-rxn:5:177180:225639:223062,CCOC(=O)c1c(C)cc(-c2cccnc2N2CCC(C)CC2)cc1-c1cnc(C2CCNCC2)cc1F,IVWITJIRDMJZEQ-UHFFFAOYSA-N
-rxn:5:177185:223063:225507,COC(=O)C1CCc2cc(-c3ccc(-c4cc(F)nc(C5CCNCC5)c4)cc3C(=O)OC(C)C)ccc21,RFRYTNQVCZMWFG-UHFFFAOYSA-N
-rxn:5:177190:223054:226197,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCCOC3)cc2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,IDNAADAJHBTGML-UHFFFAOYSA-N
-rxn:5:177190:225607:223146,CCS(=O)(=O)Cc1ccc(-c2cccc(C3CNCCO3)c2)c(-c2ccc(C(C)N3CCCCC3)s2)c1,IQCSOVLWFJZHDL-UHFFFAOYSA-N
-rxn:5:177190:225641:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccnc(N3CCCC(C)C3)c2)c1,ROLGBRZJNRIOJR-UHFFFAOYSA-N
-rxn:5:177190:227613:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2cnn(C3CCOCC3)c2)c1,ARTWMHIDZIKFST-UHFFFAOYSA-N
-rxn:5:177373:227803:222959,Cc1cc(-c2ccc(OCC3OCCO3)c(-c3ccnn3S(=O)(=O)N(C)C)c2)ccc1C1CCNCC1,WZJWUVNMPNZXSQ-UHFFFAOYSA-N
-rxn:5:177373:227803:225798,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(OC3CCOCC3)nc2)ccc1OCC1OCCO1,XKEGGOPYPUTQPN-UHFFFAOYSA-N
-rxn:5:177373:227803:225799,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2cncc(OC3CCOCC3)c2)ccc1OCC1OCCO1,RXRAHZJPKSBMGO-UHFFFAOYSA-N
-rxn:5:177729:225439:223132,CC(c1cccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3cccc(N4CCNCC4)c3)c2)c1)N1CCCC1,PVXFTURARHXCOD-UHFFFAOYSA-N
-rxn:5:177729:225982:223294,CC(C)(C)OC(=O)c1ccc(-c2cnc(N3CCOCC3)cc2F)cc1-c1csc(N2CCNCC2)n1,HDDXNDYSUBJKLP-UHFFFAOYSA-N
-rxn:5:177731:226663:226428,CC1CCCCN1c1csc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccc(N4CCSCC4)nc3)c2)c1,MQMVASMRKFCEGK-UHFFFAOYSA-N
-rxn:5:177732:225805:226679,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2cnc(N3CCCC3)cc2F)s1)N1CCOCC1,GWCDMGOCMSVQMP-UHFFFAOYSA-N
-rxn:5:177733:226794:223061,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)cc(-c2cc(C3CCNCC3)ncc2F)c1,OOLPHCYMDUYCAF-UHFFFAOYSA-N
-rxn:5:177736:223054:227375,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)ccc2-c2ccc(N3CCCC3)nc2)s1)N1CCC(O)C1,MMFKVWYWLCEGTM-UHFFFAOYSA-N
-rxn:5:177737:223062:225507,COC(=O)C1CCc2cc(-c3ccc(-c4cnc(C5CCNCC5)cc4F)c(C(=O)OC(C)(C)C)c3)ccc21,YMKGVGTVFPFGND-UHFFFAOYSA-N
-rxn:5:177739:225498:225407,CC(C)(C)OC(=O)c1cccc(-c2cc(C3CCCCC3)ccc2F)c1-c1ccc(C2CCCCCC2)cc1,BHMUYTJUDUVWJM-UHFFFAOYSA-N
-rxn:5:177739:225632:223138,CN1CCN(c2cccc(-c3cccc(C(=O)OC(C)(C)C)c3-c3ccnc(C4CCNCC4)c3)c2)CC1,DFVILAKHIXMUOW-UHFFFAOYSA-N
-rxn:5:177851:226426:227710,CCOc1c(-c2ccc(OS(C)(=O)=O)cc2)cc(C2OCCO2)cc1-c1ccc(N2CCC(C)CC2)s1,ODBHKFYRLWLRMT-UHFFFAOYSA-N
-rxn:5:177891:222405:223136,O=C1NC(=O)C(c2cccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccncc3C3CCCNC3)c2)N1,CRVQHCIKOKSJLT-UHFFFAOYSA-N
-rxn:5:177891:223016:225600,COC(=O)c1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccnc2OC2CCCCC2)cc2[nH]ccc12,KKPKUNRBLKEQJS-UHFFFAOYSA-N
-rxn:5:177891:223137:227506,O=C(SC1CS(=O)(=O)CC1c1cccc(/C=C/[N+](=O)[O-])c1)c1ccccc1-c1cncc(C2CCCNC2)c1,SPUQMWXWJKNDOM-ZRDIBKRKSA-N
-rxn:5:177891:223142:228306,CC(C)Sc1ncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCCNC3)nc2)cn1,CFLLMFXLNOSPRQ-UHFFFAOYSA-N
-rxn:5:177891:223142:228321,COC(=O)c1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCCNC3)nc2)c1,AONNIFWSGMWPME-UHFFFAOYSA-N
-rxn:5:177891:225805:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(C(C)N2CCOCC2)s1,NXSXTUYVBNHGPD-UHFFFAOYSA-N
-rxn:5:177891:225805:229011,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccc(C3CC3)s2)s1)N1CCOCC1,LZALNMXRHPYZGE-UHFFFAOYSA-N
-rxn:5:177891:226181:227506,O=C(SC1CS(=O)(=O)CC1c1cccc(/C=C/[N+](=O)[O-])c1)c1ccccc1-c1ccc(C2=CCCCC2)nc1,JTCMHQLULGLWNN-FOCLMDBBSA-N
-rxn:5:177891:226335:227387,N#Cc1cc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(N3CCCC3)c2)ccc1C1COC1,SOHBYZXEZLMTMA-UHFFFAOYSA-N
-rxn:5:177891:226452:223141,O=C(SC1CS(=O)(=O)CC1c1cncc(C2CCNCC2)c1)c1ccccc1-c1ccc(C2OCCCO2)cc1,OKOQCRPASCZQCJ-UHFFFAOYSA-N
-rxn:5:177891:226643:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1ccc(N2CCOCC2)nc1,QKXGWZSMVFMVHC-UHFFFAOYSA-N
-rxn:5:177891:226645:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccnc(N2CCOCC2)c1,SARRAACCLNBFMK-UHFFFAOYSA-N
-rxn:5:177891:226645:227437,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCCO2)c1)c1ccccc1-c1ccnc(N2CCOCC2)c1,DSTJIZYAUHSPRU-UHFFFAOYSA-N
-rxn:5:177891:226665:227278,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnc(C4CCCOC4)nc3)cn2)CC1,YPDCZTLHKICXLQ-UHFFFAOYSA-N
-rxn:5:177891:226729:223311,O=C(SC1CS(=O)(=O)CC1c1cccc(C2CNC2)c1)c1ccccc1-c1cnc(OC2CCOC2)nc1,BHNABLKCNCCTKW-UHFFFAOYSA-N
-rxn:5:177891:227119:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cc(C3CCCCC3)cs2)ccc1C1COC1,VRCJVAMRWPELJK-UHFFFAOYSA-N
-rxn:5:177891:227517:223138,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNCC2)c1)c1ccccc1-c1ccc(OC2COC2)nc1,HXYUHNSEWOQPMB-UHFFFAOYSA-N
-rxn:5:177891:227517:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1ccc(OC2COC2)nc1,GYQYXCGJTVQLOW-UHFFFAOYSA-N
-rxn:5:177891:227625:223295,CS(=O)(=O)Nc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc(C3CCCO3)nc2)c1,YWZQISIKWQEZJK-UHFFFAOYSA-N
-rxn:5:177891:227654:227437,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCCO2)c1)c1ccccc1-c1ccc(C2OCCO2)nc1,JCMYDSLDDATPRU-UHFFFAOYSA-N
-rxn:5:177891:227684:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1cnn(CC2OCCO2)c1,CCPMJYRTIPRXCC-UHFFFAOYSA-N
-rxn:5:177891:228211:226645,O=C(SC1CS(=O)(=O)CC1c1ccnc(N2CCOCC2)c1)c1ccccc1-c1cc(N2CCCC2)cs1,JMUGAFOFMQSHFN-UHFFFAOYSA-N
-rxn:5:177891:228879:225576,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnn2C2COC2)ccc1N1CCCC1,LYCQROWELGIVEN-UHFFFAOYSA-N
-rxn:5:178117:226335:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccc(C3COC3)c(C#N)c2)cc1OCC1CCOCC1,XXSROXSXLGZDPZ-UHFFFAOYSA-N
-rxn:5:178118:227710:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(-c2ccc(OS(C)(=O)=O)cc2)c(OCC2CCCCO2)c1,FTWCTKDLFHZEJJ-UHFFFAOYSA-N
-rxn:5:178120:225821:226838,N#Cc1ncc(-c2c(OCC3CCOCC3)cccc2-c2ccc(C3CC3)c(C(F)(F)F)c2)cc1C(F)(F)F,BQBKNPKHKWIGGW-UHFFFAOYSA-N
-rxn:5:178122:225499:227568,COc1cc(F)c(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2COC2CCCCO2)c(OC)c1,DPCBIYASZFLYIK-UHFFFAOYSA-N
-rxn:5:178224:228140:225590,CC(c1ccc(-c2cc(OCC3CCCCC3)cc(-c3ccc(CN4CCCC4)c(F)c3)c2)s1)N(C)C,CZQJWCKYGNMJFO-UHFFFAOYSA-N
-rxn:5:178225:225438:227307,Cc1ccc(-c2c(OCC3CCCCC3)cccc2-c2ccc(C(C)N3CCCC3)cc2)c(OC(C)C)n1,PRQHRPSJERWTKP-UHFFFAOYSA-N
-rxn:5:178226:222988:227505,Cc1cc(-c2c(OCC3CCCCC3)cccc2-c2ccc(/C=C/[N+](=O)[O-])cc2)cc(C2CCNCC2)n1,YDQLELTUVOUIBQ-KNTRCKAVSA-N
-rxn:5:178295:222404:228563,COC(=O)C1(c2cc(-c3cc(CC(C)C)cs3)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,CDUMHGLDSCBNBJ-UHFFFAOYSA-N
-rxn:5:178295:222404:228586,COC(=O)C1(c2cc(-c3cccnc3C(C)C)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,QTSQAODQCGWENJ-UHFFFAOYSA-N
-rxn:5:178295:222405:228929,COC(=O)C1(c2cc(-c3cncc(C(F)F)c3)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,BKMQTVJRXCJUQA-UHFFFAOYSA-N
-rxn:5:178295:223062:228705,COC(=O)C1(c2cc(-c3cccnc3N(C)C)ccc2-c2cnc(C3CCNCC3)cc2F)CCC(=O)CC1,ZFMLWRRXKNYDBB-UHFFFAOYSA-N
-rxn:5:178295:223345:227284,COC(=O)C1(c2cc(-c3cc(C#N)ncc3C3CC3)ccc2-c2cccc3c2NC(=O)C3)CCC(=O)CC1,XFSQWYSVOIYAKR-UHFFFAOYSA-N
-rxn:5:178295:226710:228567,CCC(C)c1sccc1-c1ccc(-c2ccc(F)c([Si](C)(C)C)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,BJSGXMDJIHPDQC-UHFFFAOYSA-N
-rxn:5:178295:226761:228516,CCc1cc(C)cc(-c2ccc(-c3ccc(SC)cc3C(F)(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,WTZCADQGAHMAHR-UHFFFAOYSA-N
-rxn:5:178295:227052:226761,COC(=O)C1(c2cc(-c3ccc(SC)cc3C(F)(F)F)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,VMAIGPCFQIGDEB-UHFFFAOYSA-N
-rxn:5:178295:227071:226190,COCc1cc(C)c(-c2ccc(-c3ccc(C4CCCC4)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,GNBDXVZUQYGEMP-UHFFFAOYSA-N
-rxn:5:178295:227120:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(C3CCC3)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,AIJALDWRYUUWCO-UHFFFAOYSA-N
-rxn:5:178295:227140:223063,COC(=O)C1(c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2-c2cc3cccc(C#N)c3s2)CCC(=O)CC1,DBVLFOIBGJAMAT-UHFFFAOYSA-N
-rxn:5:178295:227525:228274,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(SC)c(C)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,NLJUKXODLNDDQW-UHFFFAOYSA-N
-rxn:5:178295:227525:228610,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(C(C)(C)C)s2)cc1C1(C(=O)OC)CCC(=O)CC1,SWDRAWOKABUZHY-UHFFFAOYSA-N
-rxn:5:178295:227591:228189,CCSc1ccc(F)c(-c2ccc(-c3ccc(C(F)F)cc3OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,XXCZOJKDBKFKAQ-UHFFFAOYSA-N
-rxn:5:178295:227819:226580,CCc1cc(CC)cc(-c2ccc(-c3cc(C(=O)N(C)C)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,NISKTTHHWZHSGV-UHFFFAOYSA-N
-rxn:5:178295:228115:222404,COC(=O)C1(c2cc(-c3ccc(C4NC(=O)NC4=O)cc3)ccc2-c2ccc(OC(C)C)nc2)CCC(=O)CC1,PVQVQZGTBQYCKP-UHFFFAOYSA-N
-rxn:5:178295:228117:222404,COC(=O)C1(c2cc(-c3ccc(C4NC(=O)NC4=O)cc3)ccc2-c2cncc(OC(C)C)c2)CCC(=O)CC1,PDASXPLMDZIPLC-UHFFFAOYSA-N
-rxn:5:178295:228562:227674,CCC(C)c1csc(-c2ccc(-c3cc(C)c(F)c(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BUTXSUCVICHPSP-UHFFFAOYSA-N
-rxn:5:178295:229270:223002,COC(=O)C1(c2cc(-c3ccc(C4CCNCC4)cc3F)ccc2-c2cnc(C#N)s2)CCC(=O)CC1,ZRNCFERBMPCGGS-UHFFFAOYSA-N
-rxn:5:178313:225498:225451,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCCC3)ccc2F)c(-c2ccc(SC3CCCCC3)cc2)c1,NJBPJGCTIPIEBM-UHFFFAOYSA-N
-rxn:5:178313:225499:227057,COc1cccc(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3CCCCC3)cc2F)c1C1CC1,LKFPCVNCZUPXMR-UHFFFAOYSA-N
-rxn:5:178313:226067:226438,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3=CCCCC3)cc2)c(-c2cnc(C3CCCC3)cc2F)c1,KNGISMHURFCFBH-UHFFFAOYSA-N
-rxn:5:178313:226183:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnccc2C2CCCCC2)c(-c2cc(C3CCCCC3)ccc2F)c1,BYMGLIZEASIXEU-UHFFFAOYSA-N
-rxn:5:178313:226191:226060,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCC3)ccc2F)c(-c2cc(C3CC3)cc(C3CC3)c2)c1,VGFYLUHLRGAFNB-UHFFFAOYSA-N
-rxn:5:178313:227035:225407,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C#N)cc(C3CC3)c2)c(-c2ccc(C3CCCCCC3)cc2)c1,RWLRLRSMOHYCQY-UHFFFAOYSA-N
-rxn:5:178314:225394:227115,Cc1cc(-c2ccc(-c3cc(C4CCC4)cc(C4CC4)c3)cc2O[Si](C)(C)C(C)(C)C)c(F)cc1C1CC1,KTTNVWKEUBNSJF-UHFFFAOYSA-N
-rxn:5:178314:225451:226064,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCCC3)cc2)ccc1-c1ccc(C2CCCCC2)cc1,ZYFYNXKTTROIAH-UHFFFAOYSA-N
-rxn:5:178314:225677:227065,CC(C)C(=O)c1cccc(-c2ccc(-c3ccc(C4CCCCC4)nc3F)cc2O[Si](C)(C)C(C)(C)C)c1,NUFFPUVIQHZOEV-UHFFFAOYSA-N
-rxn:5:178314:227713:225451,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(F)ccc2OC(F)F)ccc1-c1ccc(SC2CCCCC2)cc1,PORBGRUNMQRUJO-UHFFFAOYSA-N
-rxn:5:178315:225395:226980,CC(C)(C)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3cccc4c3C(=O)CCC4)c2)cc(C2CC2)c1,DCYUANMEUCQLFF-UHFFFAOYSA-N
-rxn:5:178315:225407:226190,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2ccc(C3CCCC3)cc2F)c1,QFBBJLOCYCWMOT-UHFFFAOYSA-N
-rxn:5:178315:226060:225499,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CC3)cc(C3CC3)c2)cc(-c2ccc(C3CCCCC3)cc2F)c1,DXWSWWVFMDCFKS-UHFFFAOYSA-N
-rxn:5:178315:226129:226190,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(CN3CCCC3)c2)cc(-c2ccc(C3CCCC3)cc2F)c1,IVOGACAVYYFOAA-UHFFFAOYSA-N
-rxn:5:178466:223063:223061,CC(C)OC(=O)c1sc2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2c1-c1cc(C2CCNCC2)ncc1F,XLTSBOFXYMEKMR-UHFFFAOYSA-N
-rxn:5:178466:225976:225652,CC1CCCN(c2cncc(-c3c(C(=O)OC(C)C)sc4cc(-c5ccnc(N6CCOCC6)c5F)ccc34)c2)C1,WAILEJAFVJUIBV-UHFFFAOYSA-N
-rxn:5:178467:222981:227507,CCOC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3ccnc(NC4CCCCC4)c3)c2OC1,NFIAIZIOBBJEGG-UHFFFAOYSA-N
-rxn:5:178467:223010:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(C4(O)CCOCC4)cc3)c2OC1,GIPOMZLSYNFWFO-UHFFFAOYSA-N
-rxn:5:178467:223056:223311,CCOC(=O)C1=Cc2cc(-c3cccc(C4CNC4)c3)cc(-c3ccc(N4CCC(O)CC4)nc3)c2OC1,ADTOQJCMCXSZLK-UHFFFAOYSA-N
-rxn:5:178467:223056:227971,CCOC(=O)C1=Cc2cc(-c3cnccc3C(C)(C)C)cc(-c3ccc(N4CCC(O)CC4)nc3)c2OC1,ZYOFTRVKARBGQN-UHFFFAOYSA-N
-rxn:5:178467:223061:225631,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)cc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,DVCAIOUUGBVQCQ-UHFFFAOYSA-N
-rxn:5:178467:223061:225976,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,PMARDLOGTNMEPU-UHFFFAOYSA-N
-rxn:5:178467:223061:226679,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCC4)cc3F)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,RJMVQFVOOLGYQD-UHFFFAOYSA-N
-rxn:5:178467:223132:227703,CCOC(=O)C1=Cc2cc(-c3cnc(F)c(C(=O)OC)c3)cc(-c3cccc(N4CCNCC4)c3)c2OC1,HZWZROSMGNZYLM-UHFFFAOYSA-N
-rxn:5:178467:223138:227050,CCOC(=O)C1=Cc2cc(-c3ccc(OC(C)C)c(C)c3)cc(-c3ccnc(C4CCNCC4)c3)c2OC1,XJNRDKJWXVXTGM-UHFFFAOYSA-N
-rxn:5:178467:223242:226148,CCOC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3ccnc(C4CCNC4)c3)c2OC1,UKNHHXXDLZJJBS-UHFFFAOYSA-N
-rxn:5:178467:225803:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3ccnc(OC4CCOCC4)c3)c2OC1,DVCNNKZNTRIOSP-UHFFFAOYSA-N
-rxn:5:178467:225978:228099,CCOC(=O)C1=Cc2cc(-c3cncc(N(C)CC)c3)cc(-c3ccc(N4CCOCC4)nc3F)c2OC1,KHGKPIVCXYGAFK-UHFFFAOYSA-N
-rxn:5:178467:225980:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,SUXCQBLKZZQPCQ-UHFFFAOYSA-N
-rxn:5:178467:225980:228099,CCOC(=O)C1=Cc2cc(-c3cncc(N(C)CC)c3)cc(-c3cc(N4CCOCC4)ncc3F)c2OC1,OSNVUUYZKCDHKF-UHFFFAOYSA-N
-rxn:5:178467:225982:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,IFHCSYYHFBZOMX-UHFFFAOYSA-N
-rxn:5:178467:226426:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3ccc(N4CCC(C)CC4)s3)c2OC1,PRSXTLKESXLMQB-UHFFFAOYSA-N
-rxn:5:178467:226432:227020,CCOC(=O)C1=Cc2cc(-c3cncc(C#CC4CC4)c3)cc(-c3ccc(C4CCCC4)nc3F)c2OC1,QCBGKKXLHBFUPL-UHFFFAOYSA-N
-rxn:5:178467:226588:227711,CCOC(=O)C1=Cc2cc(-c3ccc(F)c(OC(F)F)c3)cc(-c3cc(OC4CCC4)ncc3F)c2OC1,DWJYMQHZTFNNIY-UHFFFAOYSA-N
-rxn:5:178467:226663:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3ccc(N4CCSCC4)nc3)c2OC1,MKCRMORJLRUZMI-UHFFFAOYSA-N
-rxn:5:178467:226794:227299,CCOC(=O)C1=Cc2cc(-c3cc(F)cc(CN(C)C)c3)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,RBXQFOJGMWVQBN-UHFFFAOYSA-N
-rxn:5:178467:227506:223137,CCOC(=O)C1=Cc2cc(-c3cncc(C4CCCNC4)c3)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2OC1,QAGRTRVRPQNCSP-CSKARUKUSA-N
-rxn:5:178467:228361:225831,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCOCC4)c(C)c3)cc(-c3cc(N(C)C)ncc3F)c2OC1,YTZCYQYRJXRKCS-UHFFFAOYSA-N
-rxn:5:178467:228974:225597,CCOC(=O)C1=Cc2cc(-c3ccc(OC4CCCCC4)nc3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,VUEDGVGLUFMIJP-UHFFFAOYSA-N
-rxn:5:178556:223007:226329,N#CC1(c2ccc(-c3ccc(-c4cc(F)cc(C5CCNCC5)c4)c(COc4ccc5c(c4)C(=O)CCC5)c3)cc2F)CC1,XTBQLUGNEQISDN-UHFFFAOYSA-N
-rxn:5:178556:223008:226329,N#CC1(c2ccc(-c3ccc(-c4cc(C5CCNCC5)ccc4F)c(COc4ccc5c(c4)C(=O)CCC5)c3)cc2F)CC1,ZCXYJFZKVFDWRX-UHFFFAOYSA-N
-rxn:5:180092:225811:225987,C[Si](C)(C)C#Cc1cc(-c2ccc(N3CCCS3(=O)=O)cc2)cc(-c2ccc(C3(C(F)(F)F)CC3)cc2)c1,SXFJCSYRSLONSW-UHFFFAOYSA-N
-rxn:5:180267:225395:225924,CSc1cc(C(C)(C)C)cc(-c2cc(C3CC3)cc(C(C)(C)C)c2)c1-c1ccc(S(=O)(=O)N(C)C)cc1C,IOMFHWSZFQLBFN-UHFFFAOYSA-N
-rxn:5:180267:225924:225938,CSc1cc(C(C)(C)C)cc(-c2ccc(S(=O)(=O)N(C)C)cc2C)c1-c1cc(C(F)(F)F)ncc1C1CC1,MIJNPQWGGYOYGM-UHFFFAOYSA-N
-rxn:5:180297:223000:227506,COc1cc(-c2ccc(C3CCCNC3)c(F)c2)c(C2(C)OCCO2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1,NQIUFMDJDYSFNR-ZRDIBKRKSA-N
-rxn:5:180402:226067:226144,C[Si](C)(C)C#Cc1ccc(-c2cc(-c3ccc(C4=CCCCC4)cc3)ccc2C(=O)C2CCCCC2)cc1,AOFRORABCHAPDK-UHFFFAOYSA-N
-rxn:5:180402:227019:225407,CC(C)(C#N)c1cccc(-c2ccc(C(=O)C3CCCCC3)c(-c3ccc(C4CCCCCC4)cc3)c2)c1,FJEWDNPCZSUJKS-UHFFFAOYSA-N
-rxn:5:180421:222998:227804,O=[N+]([O-])c1cc(-c2ccc(CC3CCCCC3)cc2-c2cc(F)cc(C3CCCNC3)c2)c([N+](=O)[O-])s1,WFAWQSKNJKUYHK-UHFFFAOYSA-N
-rxn:5:180421:223136:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1ccncc1C1CCCNC1,JZLYSXMXAKWGRM-UHFFFAOYSA-N
-rxn:5:180421:225832:226915,Cc1nn(C2CCCCO2)c(C)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(C2CCCC2)cc1,UYYZIJNLVFXUJN-UHFFFAOYSA-N
-rxn:5:180421:226686:226663,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(N2CCSCC2)nc1,NQMCOPLJXAYFSI-UHFFFAOYSA-N
-rxn:5:180422:226649:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1cccnc1N1CCOCC1,VNNYBOFQIMIOAE-UHFFFAOYSA-N
-rxn:5:180602:225808:225611,COC(=O)C1Cc2cc(-c3ccc(N4CCCC4)cc3OC)cc(-c3cc(OC4CCCC4)ncc3F)c2O1,LDIWZEMGJCAXEN-UHFFFAOYSA-N
-rxn:5:180662:223058:227506,COC(=O)C1=Cc2cc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,PBAXKLFIINAOPF-VQHVLOKHSA-N
-rxn:5:180662:223058:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3cc(F)nc(C4CCCNC4)c3)c2OC1,PBAXKLFIINAOPF-UHFFFAOYSA-N
-rxn:5:180662:223061:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,SWMGIAYRMOSDOR-UHFFFAOYSA-N
-rxn:5:180662:223061:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3cc(C4CCNCC4)ncc3F)c2OC1,PITWQABKDAVLIW-UHFFFAOYSA-N
-rxn:5:180662:223064:227710,COC(=O)C1=Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,QSMSFQJFRPAFNI-UHFFFAOYSA-N
-rxn:5:180662:227501:223061,COC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(C=C[N+](=O)[O-])cc3)c2OC1,HKEFDCDPHKXWGQ-UHFFFAOYSA-N
-rxn:5:180662:227505:223061,COC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2OC1,HKEFDCDPHKXWGQ-DHZHZOJOSA-N
-rxn:5:180662:227506:223064,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cccc(/C=C/[N+](=O)[O-])c3)c2OC1,YKKXAAUTZVNOBZ-FMIVXFBMSA-N
-rxn:5:180662:227507:223064,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,YKKXAAUTZVNOBZ-UHFFFAOYSA-N
-rxn:5:180662:227710:223058,COC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCCNC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,MTBSKCBDAARSOM-UHFFFAOYSA-N
-rxn:5:181625:225832:223007,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cc(F)cc(C3CCNCC3)c2)cc1C1OCCO1,SKAOUEDCSMPHAZ-UHFFFAOYSA-N
-rxn:5:181626:225784:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cccc(-c2ccc(CN3CCOCC3)nc2)c1C1OCCO1,HHVXNHLKPGNZAY-UHFFFAOYSA-N
-rxn:5:181628:225656:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cncc(N3CCCCC3C)c2)cc1C1OCCO1,KPMULXMLTUJGBM-UHFFFAOYSA-N
-rxn:5:181628:225832:222996,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(F)cc2C2CCCNC2)c(C2OCCO2)c1,OTCKGMPPGOQRLR-UHFFFAOYSA-N
-rxn:5:181904:226686:225633,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(N2CCCCCC2)nc1,BBSRQZRFWDLPQP-UHFFFAOYSA-N
-rxn:5:181906:225607:226665,Cc1ccc(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1-c1cnc(C2CCCOC2)nc1,KJUQGNCPRJJQSX-UHFFFAOYSA-N
-rxn:5:181906:225805:227103,Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(C2OCCO2)c1-c1sccc1C1CCCCC1,LLVZQOQPYVAXSM-UHFFFAOYSA-N
-rxn:5:181907:222988:222996,Cc1cc(-c2cc(C)nc(C3CCNCC3)c2)c(-c2ccc(F)cc2C2CCCNC2)c(C2OCCO2)c1,KOQJRDRWGWXCSK-UHFFFAOYSA-N
-rxn:5:181907:226571:225407,Cc1cc(-c2cnn(CC3CCOCC3)c2)c(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1,LAYGOWSIRCSTOO-UHFFFAOYSA-N
-rxn:5:181908:225470:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCC(C)CC3)cc2)cc(C2CCNCC2)c1,VODNBQIFFVANIM-UHFFFAOYSA-N
-rxn:5:182009:225587:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(CN3CCOCC3)c2)c(C2CCOCC2)c1,XPHVZOAYVWBOAK-UHFFFAOYSA-N
-rxn:5:182010:226686:226428,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(N3CCCCC3C)cs2)ccc1C1CCOCC1,NUKHWEOQLKCLTM-UHFFFAOYSA-N
-rxn:5:189001:225601:222405,COC(=O)C1(c2nc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2-c2ccc(C3(C#N)CCC3)cc2F)CC1,OMTDBVGYSIHKMU-UHFFFAOYSA-N
-rxn:5:189209:226320:228218,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cc(C5CC5)ncc4F)c3)c2)CC1,XRJJTCZVPUYDJC-UHFFFAOYSA-N
-rxn:5:189209:226320:228876,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cnn(C5CC5F)c4)c3)c2)CC1,IAHFRLWGSLOTCO-UHFFFAOYSA-N
-rxn:5:189209:226875:228480,O=C(ON1C(=O)CCC1=O)c1cc(-c2cc(F)c(OC(F)F)cc2F)cc(-c2cc(F)ccc2[N+](=O)[O-])c1,OMPLLJNHBJYCRK-UHFFFAOYSA-N
-rxn:5:189212:222998:228791,CSc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(F)cc(C3CCCNC3)c2)c(F)c1,RILLNEMIEVBTKI-UHFFFAOYSA-N
-rxn:5:189212:223112:225849,CC(C)c1ccc2[nH]ncc2c1-c1cc(C(=O)ON2C(=O)CCC2=O)ccc1-c1cnc(N2CCCCC2)cc1F,PNJICLRBHNNZPG-UHFFFAOYSA-N
-rxn:5:189449:223062:227023,COC1CN(C(=O)c2cc(-c3ccc(C(C)N(C)C)cc3)ccc2-c2cnc(C3CCNCC3)cc2F)C1,LDSUOEFAMXWEBW-UHFFFAOYSA-N
-rxn:5:189449:223062:228140,COC1CN(C(=O)c2cc(-c3ccc(C(C)N(C)C)s3)ccc2-c2cnc(C3CCNCC3)cc2F)C1,QVVBETGGRYUHEM-UHFFFAOYSA-N
-rxn:5:189449:225982:228140,COC1CN(C(=O)c2cc(-c3ccc(C(C)N(C)C)s3)ccc2-c2cnc(N3CCOCC3)cc2F)C1,WSZXNERAIJZRCC-UHFFFAOYSA-N
-rxn:5:189449:227023:223062,COC1CN(C(=O)c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2ccc(C(C)N(C)C)cc2)C1,PFKDHSCPOCBMFP-UHFFFAOYSA-N
-rxn:5:189449:227544:225469,COC(=O)c1ccc(F)cc1-c1ccc(-c2ccc(N3CCCC(C)C3)cc2)cc1C(=O)N1CC(OC)C1,WNRZHDLZSKMRBF-UHFFFAOYSA-N
-rxn:5:189668:225451:227019,CC(C)(C#N)c1cccc(-c2ccc(CC(=O)N3CCCC3)c(-c3ccc(SC4CCCCC4)cc3)c2)c1,FKMIRDMRZICBOF-UHFFFAOYSA-N
-rxn:5:189718:228484:226756,COc1cc(-c2cc([N+](=O)[O-])c(OC3CCOCC3)cc2-c2ccc([N+](=O)[O-])c(F)c2)ccc1C(F)(F)F,QZRUARCKURNUKT-UHFFFAOYSA-N
-rxn:5:189826:223007:223148,O=C(Cc1ccc(-c2ccccc2C2CNCCO2)cc1-c1cc(F)cc(C2CCNCC2)c1)N1CCOCC1,OUBOVNURGFONME-UHFFFAOYSA-N
-rxn:5:189952:226187:227821,CCc1c(C)cc(C)cc1-c1cc(C(=O)N2CCOCC2)cc(-c2cccc(C3CCOCC3)c2)c1OC,FDGISDHAQYMHMJ-UHFFFAOYSA-N
-rxn:5:189952:226431:227492,COc1ncnc(C2CC2)c1-c1cc(C(=O)N2CCOCC2)cc(-c2ccc(N3CCCC3)c(F)c2)c1OC,RAXRXTYOJJCFHA-UHFFFAOYSA-N
-rxn:5:190000:222995:226345,COC(=O)c1cc(-c2ccc(CC(=O)N3CCCCC3)c(-c3cccc(N4CCCC(O)C4)c3)c2)c(C)cc1C,SEKHHHYIKIJZKP-UHFFFAOYSA-N
-rxn:5:190000:225886:225472,CC1CCCCN1c1cccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3ccc4c(ccn4S(C)(=O)=O)c3)c2)c1,HEBZIBZQPMZWQG-UHFFFAOYSA-N
-rxn:5:190001:226036:225465,COc1c(F)cc(C(F)(F)F)cc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cccc(C2CCN(C)CC2)c1,SXSFCVXCQKFDCW-UHFFFAOYSA-N
-rxn:5:190127:228512:225451,CC#Cc1cccc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)c(C(=O)N3CCC(OC)CC3)c2)c1,CQKJAGMBXCABNZ-UHFFFAOYSA-N
-rxn:5:190128:225453:228512,CC#Cc1cccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2cccc(SC3CCCCC3)c2)c1,SSJWYKZGUQVAER-UHFFFAOYSA-N
-rxn:5:190128:226658:226586,COC1CCN(C(=O)c2ccc(-c3ccc(N4CCCC4)nc3F)c(-c3ccnc(OC4CCOC4)c3)c2)CC1,AJUDNSVMWTUFNS-UHFFFAOYSA-N
-rxn:5:190132:227052:227077,CCC(C)c1ccc(-c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2C(=O)N2CCC(OC)CC2)c(F)c1,OFNXDXWMUPQWSI-UHFFFAOYSA-N
-rxn:5:190195:223065:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1ccc(N2CCNCC2)cc1F,NMECTXWGMNJKTE-UHFFFAOYSA-N
-rxn:5:190195:227376:223064,CN(Cc1ccc(-c2cncc(N3CCCC3)c2)c(-c2ccc(C3CCNCC3)nc2F)c1)C1CCOCC1,AVSQJKGCKOPLOO-UHFFFAOYSA-N
-rxn:5:190199:225976:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccnc(N3CCOCC3)c2F)c(CN(C)C2CCOCC2)c1,BKQMCUOBVRSUHF-UHFFFAOYSA-N
-rxn:5:190200:225683:223240,Cc1nc(C2CCCOC2)ccc1-c1cc(CN(C)C2CCOCC2)cc(-c2ccc(C3CCNC3)nc2)c1,AZXYPQJCFKMHLQ-UHFFFAOYSA-N
-rxn:5:190201:227558:226318,Cc1cc(OC(F)F)ccc1-c1ccc(-c2cc(C3CC3)nc(N(C)C)c2)c(CCN2CCOC(C)C2)c1,FYPOAILYOVCONT-UHFFFAOYSA-N
-rxn:5:190264:225814:225886,CC1CCN(C(=O)Cc2ccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c(-c3cccc(C4(C(F)(F)F)CC4)c3)c2)CC1,IKDPTSAXSJVPOZ-UHFFFAOYSA-N
-rxn:5:190264:226781:227341,Cc1cc(OC(F)(F)F)cc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cccc(OC(C)C)c2F)c1,ACUXZIKUESCOPT-UHFFFAOYSA-N
-rxn:5:190265:226911:227540,CCc1cc(C)cc(CC)c1-c1cc(CC(=O)N2CCCC(C)C2)ccc1-c1cc(SC)cc(F)c1OC,ACYBVJZTKDQNTF-UHFFFAOYSA-N
-rxn:5:190265:228417:225944,CC1CCCN(C(=O)Cc2ccc(-c3c(F)cc(F)c(OC(C)C)c3F)c(-c3ccc(F)c(C(F)F)c3)c2)C1,KBJSVRQKVLVVML-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:5:190337:227045:227932,COCc1ccc(C)c(-c2cc(C(=O)N3CCC(C)CC3)cc(-c3cccc(SC(C)(C)C)c3)c2OC)c1,UFIBOSJHDSSUQA-UHFFFAOYSA-N
-rxn:5:190418:226662:226662,Cc1cc(-c2ccc(N3CCN(C)CC3)s2)ccc1N1C(=O)CC(Cc2ccc(-c3ccc(N4CCN(C)CC4)s3)cc2)C1=O,XCWYKRPCZBNBDU-UHFFFAOYSA-N
-rxn:5:190421:222983:227077,CCC(C)c1ccc(-c2cccc(N3C(=O)C(=Cc4ccc(-c5ccc(-c6cccc(CN7CCC(O)C7)c6)cc5)o4)SC3=S)c2)c(F)c1,GGEODSGWNQBFEW-UHFFFAOYSA-N
-rxn:5:190484:225395:227808,CC(C)(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc5c(c4)CCCC5)S(=O)(=O)CC3)c2)cc(C2CC2)c1,AXGVTVFMLVHLDO-UHFFFAOYSA-N
-rxn:5:190484:225440:228918,N#CC1(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5cnccc5C(F)F)S(=O)(=O)CC4)c3)cc2)CCCC1,HFUNWBIFVKCFEE-UHFFFAOYSA-N
-rxn:5:190484:226330:228965,CC(c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc([N+](=O)[O-])nc4)S(=O)(=O)CC3)c2)s1)N1CCCC1,TVYMDKGLINFWNV-UHFFFAOYSA-N
-rxn:5:190484:226589:227718,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(OC(F)F)cc3F)S(=O)(=O)CC2)c1,UPSWHICUQINMPK-UHFFFAOYSA-N
-rxn:5:190484:227525:227124,CCc1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(C(C)(C)C)cc3F)S(=O)(=O)CC2)c1,LGBCECCJKWJUGW-UHFFFAOYSA-N
-rxn:5:190484:227656:223311,O=C(c1cccc(-c2cc(N3CCOCC3)cs2)c1)N1CCC(c2ccccc2-c2cccc(C3CNC3)c2)S(=O)(=O)CC1,BAOPOWSEMAOWQJ-UHFFFAOYSA-N
-rxn:5:190484:227657:223312,O=C(c1cccc(-c2ccc(N3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccc(C3CNC3)cc2)S(=O)(=O)CC1,WJDNZJMGWWDJKZ-UHFFFAOYSA-N
-rxn:5:190740:225674:225881,CCOC(=O)c1cnc2c(C)cc(-c3cnc(C4CCCCC4)cc3F)cc2c1-c1ccc(C2CCOCC2)nc1F,FJURBEKYLFPPDO-UHFFFAOYSA-N
-rxn:5:190740:225881:225834,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCOCC4)nc3F)cc2c1-c1cc(N2CCCCC2)ncc1F,KRHMEHRDKWGZPY-UHFFFAOYSA-N
-rxn:5:190740:226330:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C(C)N4CCCC4)s3)cc2c1-c1cnc(N2CCCCC2)cc1F,PQXPTYROCXYPJX-UHFFFAOYSA-N
-rxn:5:190741:225655:225976,CCOC(=O)c1cnc2c(-c3cncc(N4CCC(C)CC4)c3)cc(C)cc2c1-c1ccnc(N2CCOCC2)c1F,HMDRAKANBVBNPV-UHFFFAOYSA-N
-rxn:5:190741:225980:225833,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,JBKXHVKZIGUEQH-UHFFFAOYSA-N
-rxn:5:190742:223056:223062,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCC(O)CC4)nc3)c2c1-c1cnc(C2CCNCC2)cc1F,UGINLLGGEYOYEA-UHFFFAOYSA-N
-rxn:5:190742:225784:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1ccc(N2CCNCC2)cc1F,IKPHMBKNTWSMAE-UHFFFAOYSA-N
-rxn:5:190742:225980:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCOCC4)ncc3F)c2c1-c1ccnc(N2CCCCC2)c1F,YIYUTNUFYLSYRY-UHFFFAOYSA-N
-rxn:5:190742:226330:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C(C)N4CCCC4)s3)c2c1-c1ccnc(N2CCCCC2)c1F,BXRKZNDKXAADKC-UHFFFAOYSA-N
-rxn:5:190742:226571:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cnn(CC4CCOCC4)c3)c2c1-c1ccc(CN2CCOCC2)nc1,LEOJYIURTUVADO-UHFFFAOYSA-N
-rxn:5:190742:226654:225593,CCOC(=O)c1cnc2c(C)ccc(-c3csc(N4CCC(C)CC4)n3)c2c1-c1cc(F)cc(CN2CCCC2)c1,WOZXECDGTRYAFB-UHFFFAOYSA-N
-rxn:5:190742:226661:225593,CCOC(=O)c1cnc2c(C)ccc(-c3cc(N4CCN(C)CC4)cs3)c2c1-c1cc(F)cc(CN2CCCC2)c1,GJLBMEIBKIWEGT-UHFFFAOYSA-N
-rxn:5:190742:226662:225982,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1cnc(N2CCOCC2)cc1F,DSDUVUQCXMGBRJ-UHFFFAOYSA-N
-rxn:5:190743:225833:223061,CCOC(=O)c1cnc2c(C)c(-c3ccnc(N4CCCCC4)c3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,DHHCGYQLTSTEIZ-UHFFFAOYSA-N
-rxn:5:190743:226661:225982,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCN(C)CC4)cs3)ccc2c1-c1cnc(N2CCOCC2)cc1F,CEYBUJMKICHJCT-UHFFFAOYSA-N
-rxn:5:190744:223061:223056,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,OJQSQQZERYTXQK-UHFFFAOYSA-N
-rxn:5:190744:223061:225976,CCOC(=O)c1cnc2c(-c3cc(C4CCNCC4)ncc3F)c(C)ccc2c1-c1ccnc(N2CCOCC2)c1F,AOOVZNRXYDNTII-UHFFFAOYSA-N
-rxn:5:190797:225407:225451,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(SC4CCCCC4)cc3)cc(-c3ccc(C4CCCCCC4)cc3)cc21,KZQZBYXQEKLBFA-UHFFFAOYSA-N
-rxn:5:190832:225849:226664,CCOC(=O)c1cnc2cc(C)c(-c3cnc(N4CCCCC4)cc3F)c(C)c2c1-c1cc(N2CCCC2)ncc1F,VVHWDWPGPLAURG-UHFFFAOYSA-N
-rxn:5:190859:226138:226341,COc1cc(F)c(C(C)C)cc1-c1c(-c2c(C)cc(C#N)cc2C2CC2)ccc2c1CCN2C(=O)OC(C)(C)C,GCJAGBVPXLXFOK-UHFFFAOYSA-N
-rxn:5:190859:227052:226915,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(SC(C)(C)C)cc1)c2-c1ccc(C2CCCC2)cc1,JIRJEPWHRQNNSQ-UHFFFAOYSA-N
-rxn:5:191026:226198:225928,CCCn1ncc2cc(-c3ccc4c(c3)N(c3ccc(C)c(-c5ccc(C)c(S(=O)(=O)N(C)C)c5)c3)C=C(C(=O)OC)S4(=O)=O)ccc21,XEZDRBDPAIUUTF-UHFFFAOYSA-N
-rxn:5:191026:227076:226591,CCC(C)c1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(OC(C)C)c(F)c4F)c2)C=C(C(=O)OC)S3(=O)=O)c1,DHGQIGBJVMZQCB-UHFFFAOYSA-N
-rxn:5:191026:227525:227823,CCc1cnc(C(F)F)cc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccccc3C(C)(C)C)c1)C=C(C(=O)OC)S2(=O)=O,MOKCVFYTGXNHHI-UHFFFAOYSA-N
-rxn:5:191026:227810:227068,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(CC(C)C)cc4F)c2)C=C(C(=O)OC)S3(=O)=O)cc1,JXJWJHXEXFZGME-UHFFFAOYSA-N
-rxn:5:191026:227810:227718,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(OC(F)F)cc4F)c2)C=C(C(=O)OC)S3(=O)=O)cc1,AKXRAVXBRNRXEP-UHFFFAOYSA-N
-rxn:5:191026:228189:227071,CCSc1ccc(F)c(-c2ccc3c(c2)N(c2ccc(C)c(-c4c(C)cc(COC)cc4C)c2)C=C(C(=O)OC)S3(=O)=O)c1,QGIDPKFJFGUISS-UHFFFAOYSA-N
-rxn:5:191026:228564:226031,CCC(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(F)(F)F)cc4C(F)F)c2)C=C(C(=O)OC)S3(=O)=O)s1,JKBIABAKOQOUMO-UHFFFAOYSA-N
-rxn:5:191049:226794:227376,COc1cc(N2Cc3cc(-c4cnc(N5CCSCC5)nc4)ccc3OCC2=O)c(OC)cc1-c1cncc(N2CCCC2)c1,GZTCQNPCJHDRCS-UHFFFAOYSA-N
-rxn:5:191802:225607:223064,CC(c1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2C=C[N+](=O)[O-])s1)N1CCCCC1,KROOWPBOXGTLON-UHFFFAOYSA-N
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-rxn:5:196789:225834:223065,O=C1COCCN1c1ccc(-c2cc(N3CCCCC3)ncc2F)cc1-c1ccc(N2CCNCC2)cc1F,KEEKOXJLDNPREC-UHFFFAOYSA-N
-rxn:5:196789:225976:226794,O=C1COCCN1c1ccc(-c2ccnc(N3CCOCC3)c2F)cc1-c1cnc(N2CCSCC2)nc1,VJIMNSWFPCGLNQ-UHFFFAOYSA-N
-rxn:5:196794:225978:223006,O=C1COCCN1c1cc(-c2ccc(N3CCOCC3)nc2F)ccc1-c1ccc(F)c(C2CCNCC2)c1,DYBXIEXHVPSIOV-UHFFFAOYSA-N
-rxn:5:196858:226686:225466,Cc1cnn(C2CCCCO2)c1-c1cnc(C2CCOCC2)cc1-c1ccc(N2CCCCC2C)cc1,NNHKBOBZSJKSNL-UHFFFAOYSA-N
-rxn:5:196859:226686:223007,Cc1cnn(C2CCCCO2)c1-c1c(C2CCOCC2)ccnc1-c1cc(F)cc(C2CCNCC2)c1,NJUZIQBNJQYIIJ-UHFFFAOYSA-N
-rxn:5:196970:226414:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1ccc(C2=NCCCO2)cc1,UDDHQDINHKBGOE-UHFFFAOYSA-N
-rxn:5:197876:223189:227815,CCC(C)c1ccccc1-c1cc2c(cc1-c1ccc(NS(C)(=O)=O)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,NTFBHVQVRXBVPV-UHFFFAOYSA-N
-rxn:5:197876:225407:228606,CCc1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCCCC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,OVHMHAXBNBJROB-UHFFFAOYSA-N
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-rxn:5:197876:225498:228615,CSc1ccc(C)cc1-c1cc2c(cc1-c1cc(C3CCCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GNZNENPLBZGQBU-UHFFFAOYSA-N
-rxn:5:197876:225498:228695,CN(C)Cc1cc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cs1,WJFSNIVVNOUDKR-UHFFFAOYSA-N
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-rxn:5:197876:225591:227827,Cc1ccc(C2CC2)cc1-c1cc2c(cc1-c1cc(CN3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PUKYQZPHMFKDRL-UHFFFAOYSA-N
-rxn:5:197876:225602:227317,CC(C)(C)Oc1cc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,ITVFLEBYLJSUGY-UHFFFAOYSA-N
-rxn:5:197876:225602:227858,CN1Cc2cccc(-c3cc4c(cc3-c3cc(C5(C#N)CCC5)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)c2C1,VKYKGNVGBKPQOC-UHFFFAOYSA-N
-rxn:5:197876:225603:227933,CCc1ccc(OC)cc1-c1cc2c(cc1-c1cccc(C3(C#N)CCC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,HYTWBLFNHTUMRY-UHFFFAOYSA-N
-rxn:5:197876:225671:228611,COc1ccc(C)c(-c2cc3c(cc2-c2cc(C4CCCCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FKCUIXBAEFORNE-UHFFFAOYSA-N
-rxn:5:197876:225674:228260,CC(F)(F)c1cccc(-c2cc3c(cc2-c2cnc(C4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,CARTYCCXCDUENE-UHFFFAOYSA-N
-rxn:5:197876:225674:228515,CCc1cccc(C)c1-c1cc2c(cc1-c1cnc(C3CCCCC3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,MHAIJHPFJXDSHM-UHFFFAOYSA-N
-rxn:5:197876:225677:226768,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,VDTLBILJIYBHDG-UHFFFAOYSA-N
-rxn:5:197876:225679:225418,CCOc1ccc2cc(-c3cc4c(cc3-c3ccc(N5CCCCC5)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc2c1,WUQJZSKRRPOJJU-UHFFFAOYSA-N
-rxn:5:197876:225811:228561,CSCc1cccc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QHEYLLNVKLNIGJ-UHFFFAOYSA-N
-rxn:5:197876:225820:228383,Cc1cc(-c2cc3c(cc2-c2c(C4CC4)cccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C(F)F,PYKWLENOUJKGQR-UHFFFAOYSA-N
-rxn:5:197876:225821:229015,CC(C)c1sccc1-c1cc2c(cc1-c1ccc(C3CC3)c(C(F)(F)F)c1)S(=O)(=O)N(C(C)(C)C)C2=O,FSAACJGKTBQTPP-UHFFFAOYSA-N
-rxn:5:197876:225881:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2ccc(C4CCOCC4)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LANAMRSPGCHLRG-UHFFFAOYSA-N
-rxn:5:197876:225988:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1c(F)cc(C3OCCO3)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ZLPVAMLSYVAEJB-UHFFFAOYSA-N
-rxn:5:197876:226031:227826,CC(C)(C)c1cccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,LHOFHYGRJSAWSW-UHFFFAOYSA-N
-rxn:5:197876:226031:227926,CC(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)cc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,CACYPUANRCGKPY-UHFFFAOYSA-N
-rxn:5:197876:226061:227052,CC(C)c1cc(-c2cc3c(cc2-c2ccc(SC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,FAKFCSRXVMCKRC-UHFFFAOYSA-N
-rxn:5:197876:226084:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc4c(c2)C(=O)CCCC4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KYBKMKUMPIXUNO-UHFFFAOYSA-N
-rxn:5:197876:226137:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2cc(C4CC4)cnc2C(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ONXDBQMXQKBYAN-UHFFFAOYSA-N
-rxn:5:197876:226190:227018,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,OQQNDGRSCYOVRK-UHFFFAOYSA-N
-rxn:5:197876:226191:225441,CC(C)(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1cc(C3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,IITQMXSYFQHKGK-UHFFFAOYSA-N
-rxn:5:197876:226191:227023,CC(c1ccc(-c2cc3c(cc2-c2cc(C4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1)N(C)C,IUKUIXCOTICQQR-UHFFFAOYSA-N
-rxn:5:197876:226320:227315,CC(C)Cc1cc(F)c(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,KLCJITHJUARKBD-UHFFFAOYSA-N
-rxn:5:197876:226320:227818,CCC(C)c1cccc(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MLJQJWNWZQHRLB-UHFFFAOYSA-N
-rxn:5:197876:226326:226137,CC(C)c1ncc(C2CC2)cc1-c1cc2c(cc1-c1cccc(C3(C#N)CC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,NPHVKMQNBKXWSG-UHFFFAOYSA-N
-rxn:5:197876:226326:227832,Cc1cc(C2CC2)ccc1-c1cc2c(cc1-c1cccc(C3(C#N)CC3)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,LJXPWXYXCDCCEV-UHFFFAOYSA-N
-rxn:5:197876:226331:226062,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,WHPDRPHJSBODFJ-UHFFFAOYSA-N
-rxn:5:197876:226331:228219,CC(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(C4(C#N)CC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,OSLLTXSQLBIXCD-UHFFFAOYSA-N
-rxn:5:197876:226580:227955,Cc1cnc(C(C)C)c(-c2cc3c(cc2-c2cc(C(=O)N(C)C)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PTNWXECYHRNNLE-UHFFFAOYSA-N
-rxn:5:197876:226581:227819,CCc1cc(CC)cc(-c2cc3c(cc2-c2cccc(C(=O)N(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,XDUOUCFEYLSWNP-UHFFFAOYSA-N
-rxn:5:197876:226582:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(C(=O)N(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,KIMKBPXOVPGYCD-UHFFFAOYSA-N
-rxn:5:197876:226594:226922,Cc1cc(C2CC2)cc(C)c1-c1cc2c(cc1-c1c(F)cc(OC(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VKFGHIJSTIXWNB-UHFFFAOYSA-N
-rxn:5:197876:226594:227940,CCc1cc(SC)cc(-c2cc3c(cc2-c2c(F)cc(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UAXWBVJXUBDXGT-UHFFFAOYSA-N
-rxn:5:197876:226596:228388,Cc1cnc(C(F)F)cc1-c1cc2c(cc1-c1ccc(F)c(OC(C)C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,IHVYGQNXXNQBFY-UHFFFAOYSA-N
-rxn:5:197876:226601:227898,CC(C)Cc1cncc(-c2cc3c(cc2-c2c(OC(C)C)ccc(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DESDCHJLPOQBSD-UHFFFAOYSA-N
-rxn:5:197876:226605:227912,COC(C)c1ccc(-c2cc3c(cc2-c2cc(F)c(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,OLPZXRDBYKVGLA-UHFFFAOYSA-N
-rxn:5:197876:226610:227103,CCc1cc(-c2cc3c(cc2-c2sccc2C2CCCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,RUEHCKXJOZSKPJ-UHFFFAOYSA-N
-rxn:5:197876:226610:228383,CCc1cc(-c2cc3c(cc2-c2cnc(C(F)F)c(C)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,BOHQTNVKPQGBCM-UHFFFAOYSA-N
-rxn:5:197876:226709:228182,Cc1cc(C(F)(F)F)cc(C)c1-c1cc2c(cc1-c1cccc(CC(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,RWKFXEVFDIIZQJ-UHFFFAOYSA-N
-rxn:5:197876:226753:227910,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(OC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,LZZFRVZIZCELNM-UHFFFAOYSA-N
-rxn:5:197876:226761:226154,COc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(SC)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,GOBPOVSVDRGOMP-UHFFFAOYSA-N
-rxn:5:197876:226761:227039,CSc1ccc(-c2cc3c(cc2-c2ccc(OC(C)(C)C)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c(C(F)(F)F)c1,OFBFFGDQNJCMSX-UHFFFAOYSA-N
-rxn:5:197876:226761:227922,CCc1cc(OC)ccc1-c1cc2c(cc1-c1ccc(SC)cc1C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,SENHGUPKIWVQGU-UHFFFAOYSA-N
-rxn:5:197876:226762:227103,CSc1cc(-c2cc3c(cc2-c2sccc2C2CCCCC2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,ALZARRRWULPAHK-UHFFFAOYSA-N
-rxn:5:197876:226762:228499,CSc1cc(-c2cc3c(cc2-c2cc(C(F)(F)F)nn2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,RQAWWEDLORUBQK-UHFFFAOYSA-N
-rxn:5:197876:226826:223192,CNS(=O)(=O)c1cc(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccc1F,UBICIFRGOXOMSD-UHFFFAOYSA-N
-rxn:5:197876:226826:228307,CON(C)c1cc(-c2cc3c(cc2-c2cc(C)cc(C(F)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)ccn1,HTWRRSBGXWKNFW-UHFFFAOYSA-N
-rxn:5:197876:226912:225440,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2ccc(C4(C#N)CCCC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,MDSBDGUYUXREOW-UHFFFAOYSA-N
-rxn:5:197876:226912:227724,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cc(OC(F)F)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,ARGOUCOOXQHTIU-UHFFFAOYSA-N
-rxn:5:197876:227045:225814,CC(C)(C)Sc1cccc(-c2cc3c(cc2-c2cccc(C4(C(F)(F)F)CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,VPFLLAQIECPFJN-UHFFFAOYSA-N
-rxn:5:197876:227045:227117,Cc1cc(C2CC2)cc(-c2cc3c(cc2-c2cccc(SC(C)(C)C)c2)S(=O)(=O)N(C(C)(C)C)C3=O)c1F,CHUKTEZJFAPCQO-UHFFFAOYSA-N
-rxn:5:197876:227052:226181,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C4=CCCCC4)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,UDNHWFQKXGUECH-UHFFFAOYSA-N
-rxn:5:197876:227076:225514,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cccc4c2OCC2(CC2)CO4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,URHKXMWPMNDXPO-UHFFFAOYSA-N
-rxn:5:197876:227076:226743,CCc1cc(-c2cc3c(cc2-c2cc(C(C)CC)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)n1,KXURQIYCXOUUDC-UHFFFAOYSA-N
-rxn:5:197876:227108:225466,CC1CCCCN1c1ccc(-c2cc3c(cc2-c2cc(C4CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,PLRFZIZXQJUBRQ-UHFFFAOYSA-N
-rxn:5:197876:227108:227409,CC(C)(C)c1cc(-c2cc3c(cc2-c2cc(C4CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cn1,GBLFSZCOADFYRB-UHFFFAOYSA-N
-rxn:5:197876:227113:225811,Cc1cc(F)c(C2CC2)cc1-c1cc2c(cc1-c1ccc(C3(C(F)(F)F)CC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,UQJXWTNYPDCHJO-UHFFFAOYSA-N
-rxn:5:197876:227119:227052,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)cs2)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,JORWNHMLLQYIJF-UHFFFAOYSA-N
-rxn:5:197876:227124:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cc2c(cc1-c1ccc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,LCLBLCRTBMCMQQ-UHFFFAOYSA-N
-rxn:5:197876:227303:227065,CC(C)C(=O)c1cccc(-c2cc3c(cc2-c2cccc(CN(C)C)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,JTXZUPODERGYNW-UHFFFAOYSA-N
-rxn:5:197876:227314:227304,Cc1cc(OC(C)C)ncc1-c1cc2c(cc1-c1ccc(CC(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ZPZGYBWDLGDLPQ-UHFFFAOYSA-N
-rxn:5:197876:227319:227346,CCCc1cc(F)c(-c2cc3c(cc2-c2cc(CC(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,GNLNNNTWZHBIQO-UHFFFAOYSA-N
-rxn:5:197876:227402:227713,CC(C)(C)c1cc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(F)n1,HUYCEGZTSKBKDP-UHFFFAOYSA-N
-rxn:5:197876:227412:223287,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,QEZZABXDXQKUEW-UHFFFAOYSA-N
-rxn:5:197876:227412:227341,CC(C)Oc1cccc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1F,LTNWOAMYZZOVMG-UHFFFAOYSA-N
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-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
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-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
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-rxn:4:177260:223506,CCOCc1cc(-c2cccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc1C,CYZXWGRZROPMSM-UHFFFAOYSA-N
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-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
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-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
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-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:4:183273:223322,Cc1cc2[nH]ncc2cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,MIVFIPXNDOMIJA-UHFFFAOYSA-N
-rxn:4:183274:226380,Cc1cc(-n2ccnc2)ccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,QKZWTTSJJXHVMK-UHFFFAOYSA-N
-rxn:4:183274:227294,Cc1cnc(OC(C)C)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,MEWMJZGGCBGDBY-UHFFFAOYSA-N
-rxn:4:183274:227827,Cc1ccc(C2CC2)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,XQPYVLMMBLAQAP-UHFFFAOYSA-N
-rxn:4:183274:228999,C#Cc1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)c1,IZUSWPISWDJPAZ-UHFFFAOYSA-N
-rxn:4:183534:225163,CCOC(=O)Cc1cc(C(F)(F)F)c(-c2ccccc2C(=O)N2CCOCC2)cc1C#N,OVVOAYJHSKGTEZ-UHFFFAOYSA-N
-rxn:4:183553:223788,CCOC(=O)Cc1c(OC)cc(C#N)cc1-c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1,SOICBLIPVKHEPP-UHFFFAOYSA-N
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-rxn:4:183671:225389,CCC(C)c1cc(-c2cc(OC(F)(F)F)ccc2S(=O)(=O)N(CC)CC)cc(C2CC2)c1,FHVATMWPFNNKBV-UHFFFAOYSA-N
-rxn:4:183746:222903,COCCNC(=O)c1ccc(-c2ccccc2C(=O)N2CCC(SCC(=O)OC)C2)c(Cl)c1,NMBWRJCBRQCRGY-UHFFFAOYSA-N
-rxn:4:183785:225175,CCCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(F)c(CN3CCOCC3)c2)c(Cl)c1,CAEKCBITGXGGHN-UHFFFAOYSA-N
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-rxn:4:183823:225925,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(Cl)c(CN(C(=O)OC(C)(C)C)C2CC2)c1,STNCPGQEYGQARO-UHFFFAOYSA-N
-rxn:4:183830:224970,CC(C)(C)OC(=O)N(Cc1ccc(-c2ccc(S[Si](C)(C)C(C)(C)C)cc2)cc1F)C1CC1,MCZRUXHMICQCBB-UHFFFAOYSA-N
-rxn:4:183863:223882,COC(=O)CN1CCCC(COc2ccc(-c3cc4c(C)cccc4n3C(=O)OC(C)(C)C)cc2)C1,TUXNEXVVXZSOTR-UHFFFAOYSA-N
-rxn:4:183864:226025,COC(=O)CN1CCCC(COc2cccc(-c3cnc(OC4CCOC4)nc3Cl)c2)C1,SMHFAYDJLDLHQG-UHFFFAOYSA-N
-rxn:4:183881:226501,CCOC(=O)c1cc(-c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)cc2F)cnc1C,PJCUIOJEHRJBEP-UHFFFAOYSA-N
-rxn:4:183886:222521,CC(C)(C)OC(=O)Nc1cc(-c2ccccc2OCCCN2CCC(C(F)(F)F)CC2)cc(C(F)(F)F)c1,IXVLXUBRRBLAPP-UHFFFAOYSA-N
-rxn:4:183892:225159,COC(=O)c1cc(OCCN2CCC(F)(F)CC2)cc(-c2cccc(C(=O)N3CCOCC3)c2)c1,ZDVKOCAOIOFHJE-UHFFFAOYSA-N
-rxn:4:183911:226776,COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2C)cc(Cl)c1F,YILMWGMLLNVPAN-UHFFFAOYSA-N
-rxn:4:183931:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cc(C)cc(CN(C(=O)OC(C)(C)C)C3CC3)c2)cc1,GMBROTXOGULOMV-UHFFFAOYSA-N
-rxn:4:183944:224883,CC(c1ccc(-c2cccc(S(=O)(=O)CC3CN(C(=O)OC(C)(C)C)C3)c2)cc1)N1CCCCC1,ZLLTYFUWJKNDPC-UHFFFAOYSA-N
-rxn:4:183982:222720,CCCCN(C)Cc1cc(-c2ccc(N3CCNCC3)cc2C(F)(F)F)cc(C(C)(C)C)c1,JBHGQVKOCSFFRI-UHFFFAOYSA-N
-rxn:4:184001:223253,CCCCNc1ncc(-c2ccc(C3(C(=O)OC)CCN(C(=O)OC(C)(C)C)C3)c(Cl)c2)cn1,CSGFVPUCNIKZDS-UHFFFAOYSA-N
-rxn:4:184004:226011,COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cc(F)ccc4OCC(F)(F)F)cc3)SC2=S)cc1OC,QCTGEJVSYJAMKO-UHFFFAOYSA-N
-rxn:4:184004:226039,CCc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1,XOQFTJASIQUAKR-UHFFFAOYSA-N
-rxn:4:184014:222634,CC(C)(C)OC(=O)N1CCC(COc2cccc(-c3ccc(OCCNC4CCCC4)c(F)c3)c2)CC1,GELKCRAWYGBYMN-UHFFFAOYSA-N
-rxn:4:184015:224431,Cc1cccc(CN(C(C)C)C(C)C)c1-c1cccc(COC2CCN(C(=O)OC(C)(C)C)CC2)c1,MVAAIQZWWYSCMH-UHFFFAOYSA-N
-rxn:4:184023:224224,CC(C)(C)OC(=O)N1CCC(COc2cc(Cl)cc(-c3ccccc3OCc3ccc(F)cc3F)c2)CC1,MAQNSWULVYJUDY-UHFFFAOYSA-N
-rxn:4:184028:227580,COc1cc(Cl)c(-c2ccc(COC3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1OC,PBIOJLDMONSNDU-UHFFFAOYSA-N
-rxn:4:184043:222803,COc1ccc(CN(C(=O)c2ccccc2-c2ccc(C3CCNC3)c(C(F)(F)F)c2)C2CCS(=O)(=O)C2)cc1,USDMCELUOQUMRK-UHFFFAOYSA-N
-rxn:4:184070:223286,COC(=O)C1(c2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2C)CCN(C(=O)OC(C)(C)C)C1,HHAHHEXROASESA-UHFFFAOYSA-N
-rxn:4:184087:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)C2CCS(=O)(=O)C2)o1,KQCLRFUMOBGHPW-UHFFFAOYSA-N
-rxn:4:184092:227796,CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-c3cc(C(F)(F)F)ncc3Cl)o2)C2CCS(=O)(=O)C2)cc1,IZZFYIWLUXQFLZ-UHFFFAOYSA-N
-rxn:4:184094:225190,COc1cc(N2CCOCC2)ccc1-c1ccccc1C(=O)N(Cc1ccc(C(C)C)cc1)C1CCS(=O)(=O)C1,PUFMMPPNVWYYKE-UHFFFAOYSA-N
-rxn:4:184096:224232,CC1(C)CCC(N(Cc2ccc(-c3cc(Cl)c(OCc4ccccc4)cc3F)cc2)C(=O)OC(C)(C)C)CC1,DMFAXTVHTATMGK-UHFFFAOYSA-N
-rxn:4:184096:224928,COC(=O)c1ccc2cc(-c3ccc(CN(C(=O)OC(C)(C)C)C4CCC(C)(C)CC4)cc3)ccc2c1,YOUQROCYBVGRDX-UHFFFAOYSA-N
-rxn:4:184098:226059,CC(C)c1ccc(-c2cccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)c2)c(C(C)C)c1,DCKGIXVPXCKKIP-UHFFFAOYSA-N
-rxn:4:184099:224038,CC(c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(Cl)ccc2-3)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,GINJPPISOWVMSS-UHFFFAOYSA-N
-rxn:4:184103:224756,CCCCOC(=O)CN1C(=O)C(=O)c2cc(-c3cc(F)ccc3C(=O)N3CCOCC3)ccc21,VBCJVSSEAQJEGR-UHFFFAOYSA-N
-rxn:4:184103:225602,CCCCOC(=O)CN1C(=O)C(=O)c2cc(-c3cc(C4(C#N)CCC4)ccc3F)ccc21,HXHUKRLKWJTXDA-UHFFFAOYSA-N
-rxn:4:184107:223761,CCOC(=O)c1cc2cc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)ccc2nc1C(=O)OCC,GCOCNWSIOVMQLB-UHFFFAOYSA-N
-rxn:4:184134:222888,CCOC(=O)c1c(-c2ccc(CN3CCNCC3)c(Cl)c2)c2ccccc2n1C(=O)OC(C)(C)C,ZELARTJMGBLUKJ-UHFFFAOYSA-N
-rxn:4:184152:222436,CCOC(=O)c1c(C)oc2cc(-c3cccc(C(=O)Nc4cccc(OC(F)(F)F)c4)c3)c(OC(=O)N3CCOCC3)cc12,DQYQGXLSKHGRNF-UHFFFAOYSA-N
-rxn:4:184172:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3cc4ccc(OCc5ccccc5)cc4n3C(=O)OC(C)(C)C)cnc21,ABQNUPIBRSSQOY-UHFFFAOYSA-N
-rxn:4:184181:222869,CC(C)CNC(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)ccc1F,MDXYXHFAAOEZKV-UHFFFAOYSA-N
-rxn:4:184181:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(CN(C(=O)OC(C)(C)C)C(C)C)c4ccccc34)cc2)CC1,VHPRBXKCIIORAQ-UHFFFAOYSA-N
-rxn:4:184187:225364,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cc(S(=O)(=O)N(C)C)c(C)cc3F)ccc2S1(=O)=O,SCOPEEVLFKBLSW-UHFFFAOYSA-N
-rxn:4:184208:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c3ccccc23)cc1,WSVVACCHUGQCDH-UHFFFAOYSA-N
-rxn:4:184208:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCC3)c3ccccc23)cc1,XZAVJUJVNKTUOY-UHFFFAOYSA-N
-rxn:4:184216:222624,CC(C)Cc1cc(-c2cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc3ccccc23)cc(C2CCNCC2)n1,DMCODBHHHDQAQD-UHFFFAOYSA-N
-rxn:4:184219:227325,CC(C)(C)OC(=O)n1c(-c2ccc(OC(C)(C)C)nc2)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21,PEJZTKHLMOEBPR-UHFFFAOYSA-N
-rxn:4:184224:222545,Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccccc3)nc3c(C)cc(-c4ccc(C(C)(C)NC(=O)OC(C)(C)C)cc4)cc23)cc1,KPWDWJWZPXXOJE-UHFFFAOYSA-N
-rxn:4:184225:226043,COc1c(F)cc(Cl)c(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3ccc4oc(C)c(C(C)=O)c4c3)cc2)c1[N+](=O)[O-],CEHGGQLCEWPCJN-UHFFFAOYSA-N
-rxn:4:184230:223482,CCCCC(CC)CN1C(=O)c2cccc3c(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)ccc(c23)C1=O,BREPILMOQQBLLW-UHFFFAOYSA-N
-rxn:4:184381:223651,COC(=O)Cc1cc(C(F)F)cc(C#N)c1-c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)nc1C,YDQCJMWEKLMVMD-UHFFFAOYSA-N
-rxn:4:184526:223823,COC(=O)Cc1c(OC)cc(C#N)cc1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,NGIFRUVAPXQNKC-UHFFFAOYSA-N
-rxn:4:184613:225261,CCN(CC)S(=O)(=O)c1cccc(-c2ccc(C(=O)N3CC(OCC(F)(F)F)C3)o2)c1,CBIAPHLRMMIUDA-UHFFFAOYSA-N
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-rxn:4:204108:223939,CC(C)(C)OC(=O)N1CCOc2ccc(-c3cncc(C(=O)N4CCC(c5ccccc5)S(=O)(=O)CC4)c3)cc21,YUJNMMRKCYOMMA-UHFFFAOYSA-N
-rxn:4:204109:224457,Cc1ccccc1COc1ccccc1-c1ccccc1S(=O)(=O)N1CCC(N2C(=O)COCC2=O)CC1,KYPJMQLGOUYEHS-UHFFFAOYSA-N
-rxn:4:204112:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(CN4CCCC4)c(N4CCCCC4)c3)c2)CC1,GURFMJXXPRUEFV-UHFFFAOYSA-N
-rxn:4:204166:226179,CC1CCCCN1Cc1ccc(-c2cncc(C3CCCCC3)c2)cc1N1CCOCC1,WOYIRPDYJAYSOT-UHFFFAOYSA-N
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-rxn:4:204705:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4C(=NC(=O)C5CC5)SC5CS(=O)(=O)CC54)c(Cl)c3)c3ccccc23)CC1,GDWPQAIOVTVGRY-UHFFFAOYSA-N
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-rxn:4:206532:224414,O=[N+]([O-])c1cc(F)c(-c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2)cc1N1CCOCC1,CQEZQJIRPJFNRP-UHFFFAOYSA-N
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-rxn:4:206814:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(N4C(=O)CC(=O)N(C5CC5)C4=O)cc3)cn2)CC1,PKTLPTRZBAKANT-UHFFFAOYSA-N
-rxn:4:206943:224828,CCOc1cc(OC(F)(F)F)cc(-c2sc(C3CCN(S(C)(=O)=O)CC3)nc2C)c1F,ALHAAHVMEZUOBO-UHFFFAOYSA-N
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-rxn:4:206958:224377,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cn2)CC1,YILFTVKIXJKVNY-UHFFFAOYSA-N
-rxn:4:206978:224818,CC1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(S(=O)(=O)N3CCSCC3)cc2)CC1,ZFCMIILFWQNGJK-UHFFFAOYSA-N
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-rxn:4:207026:224847,CC(C)(C)c1ccc(C(C)(C)C)c(-c2cncc(C(=O)N3CCC4(CC3)OCCO4)c2)c1,YULCUGMTIIHHKW-UHFFFAOYSA-N
-rxn:4:207589:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cncc(C(=O)N2C3C=CCC2CC3)c1,NILZFPLAGVOWEW-UHFFFAOYSA-N
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-rxn:4:207669:224411,CN(C)S(=O)(=O)c1ccc(-c2ccc3c(n2)OCCN3C(=O)C(C)(C)C)c(C(F)(F)F)c1,KFDYOSYUCJVIRF-UHFFFAOYSA-N
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-rxn:4:207810:223844,CN1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)c3ccccc23)CC1,DLCJBGIRZLFQRH-UHFFFAOYSA-N
-rxn:4:207852:222858,Cc1ccccc1N1C(=O)N(c2ccc(-c3cccc(C(=O)NCCN(C)C)c3)cc2)C2CS(=O)(=O)CC21,WAXFPPVJXNORLK-UHFFFAOYSA-N
-rxn:4:207854:225995,N#Cc1ccc(OC(F)(F)F)c(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)c1,YCHTZPLJDUVUHD-UHFFFAOYSA-N
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-rxn:4:207890:224849,Cc1c(-c2cc(C3CCCC3)cc(C3CC3)c2)cnn1CC12CC3CC(CC(C3)C1)C2,PIZHEKNTHWKSBN-UHFFFAOYSA-N
-rxn:4:207890:225047,Cc1cc(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)cnc1N1CCC(C)CC1,JRQNLUGAPBZSKT-UHFFFAOYSA-N
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-rxn:4:210962:223528,CN1C(=O)CC(c2c[nH]c3ccc(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)C1=O,SAFSZGHAUOOAAA-UHFFFAOYSA-N
-rxn:4:211094:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C(C)O2,PUJYCNFBYSFAKX-UHFFFAOYSA-N
-rxn:4:211097:223697,O=S(=O)(c1ccc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)c(C(F)(F)F)c1)N1CCCCC1,HKLBVMPZCSNYJQ-UHFFFAOYSA-N
-rxn:4:211099:225832,Cc1ccc(C2=NN3C(C2)c2cc(-c4c(C)nn(C5CCCCO5)c4C)ccc2OC32CCCC2)cc1,ORQSFEPLXLBURP-UHFFFAOYSA-N
-rxn:4:212541:225897,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3ccccc3COCC(F)(F)F)n2)C1,FUDLJFSUFSFHDS-UHFFFAOYSA-N
-rxn:4:212542:222777,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(CN4CCC(O)CC4)c(Cl)c3)cn2)C1,ZXUQIYJTKAEFEV-UHFFFAOYSA-N
-rxn:4:212542:222823,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3F)cn2)C1,IKIXMGCHEHOLBB-UHFFFAOYSA-N
-rxn:4:212587:223640,CCOc1ccc(S(=O)(=O)N2CC(Cn3cc(-c4cc(F)cc5c4C(=O)C4C(C)(C)C4(OCC)C5=O)cn3)C2)cc1,KDKNSQMZBVQJPR-UHFFFAOYSA-N
-rxn:4:212635:225176,Cn1ncc(-c2ccc(CN3CCOCC3)c(Cl)c2)c1CN(C(=O)OC(C)(C)C)C1CCCC1,JOLLCPYGCAKJOK-UHFFFAOYSA-N
-rxn:4:212636:223482,CC(C)(C)OC(=O)N1CCC(CCn2cc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCC5(CC4)OCCO5)c3)cn2)CC1,KGXVFPLZHMITFB-UHFFFAOYSA-N
-rxn:4:212649:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)C(C)(C)CC)C4)nc3)c2)CC1,UOSUMUVQZSXFRV-UHFFFAOYSA-N
-rxn:4:212656:226844,COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc(C(=O)C(F)(F)F)c2)c1,LXCXTVGXHVVPQG-UHFFFAOYSA-N
-rxn:4:212689:223875,Cn1cc(-c2ccc(Oc3ccccc3C(C)(C)C)nc2)c(CN(C(=O)OC(C)(C)C)C2CCCCC2)n1,JKUPPIPUQPCQBL-UHFFFAOYSA-N
-rxn:4:212696:223074,O=C(c1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)cc1)N1CCC(COc2ccc(C3CC3)nn2)CC1,LOHOZISEISVSEP-UHFFFAOYSA-N
-rxn:4:212697:223060,Cc1cccc(CS(=O)(=O)N2CCCC(COc3ncc(-c4cc(Cl)nc(C5CCNCC5)c4)cn3)C2)c1,JODYBTFYGSSCTE-UHFFFAOYSA-N
-rxn:4:212711:222989,Cc1cc(N2CCNCC2)ccc1-c1ccc(C(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)o1,PETXAPXZZFRUHT-UHFFFAOYSA-N
-rxn:4:212720:222964,C#CCCC(=O)Nc1cccc(-c2ccc(C(=O)N(C)C3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c1,OGUKBZLSCRCTOA-UHFFFAOYSA-N
-rxn:4:212731:222819,COc1cc(OC)cc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(NC(=O)N6CCOCC6)nc5)cc4)C3)n2)c1,CZHITBCGDBWGMM-UHFFFAOYSA-N
-rxn:4:212775:224188,COCCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(-c3ccc(C(=O)N(C(C)C)C(C)C)cc3Cl)ccc21,ACBVVBSRXFKVFI-UHFFFAOYSA-N
-rxn:4:212784:224620,CCOC(=O)N1CCN(C(=O)Cn2ccc3cc(-c4ccc(CO[Si](C)(C)C(C)(C)C)nc4)ccc32)CC1,AUKJKHWGKJGDCV-UHFFFAOYSA-N
-rxn:4:212792:223500,CCOc1ccc(-c2cc3c(SCc4cccc(-c5ccc(F)c(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)c4)nccn3n2)cc1,JFEKDJLBYVJJST-UHFFFAOYSA-N
-rxn:4:212805:225271,CCN(CC)S(=O)(=O)c1ccc(C(=O)N=c2sc3cc(-c4cc(OC)c(OC)cc4C(=O)OC)ccc3n2C)cc1,MIKIITPPSMHJDW-UHFFFAOYSA-N
-rxn:4:212827:228934,COc1cc(Cl)c(-c2ccc3[nH]c(C(=O)N4CCC(N(C)C(=O)OC(C)(C)C)CC4)cc3c2)cn1,ZNHZXYGSSUMNCI-UHFFFAOYSA-N
-rxn:4:212839:225975,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(N5CCOCC5)c4Cl)ccn23)CC1,IILKWXVTPUGYDG-UHFFFAOYSA-N
-rxn:4:212840:222718,Cc1ccc(C2CC(c3ccc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)cc3)=NN2C(=O)CSc2cn(C)c3ccccc23)cc1,LGWDEFQVCXYXCF-UHFFFAOYSA-N
-rxn:4:212851:224412,CCOc1cc2nc3c4cc(-c5ccc(C(F)(C(F)(F)F)C(F)(F)F)cc5)ccc4n(CC(C)C)c3nc2cc1OCC,HZHDLHCDVRVFHF-UHFFFAOYSA-N
-rxn:4:212892:223682,CC(C)(C)OC(=O)N(c1ncc(-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)cn1)C1CC1,SJHFZQXPSIDKOP-UHFFFAOYSA-N
-rxn:4:212909:222828,O=S(=O)(NC1CC1)c1cc(F)c(F)cc1-c1cnc(OCC2CCCN(CC(F)(F)F)C2)nc1,WRKVHWDOCMPIQM-UHFFFAOYSA-N
-rxn:4:212968:225732,CCOC(=O)Cc1ccc(-c2cnc(OCC3CCCN(C(=O)C4CC4)C3)nc2)cc1F,SGBGKRJJXHEEOC-UHFFFAOYSA-N
-rxn:4:212992:222812,CC(C)(C)OC(=O)Nc1cc(-c2cnc(OCC3CCCN(S(=O)(=O)C4CC4)C3)nc2)cnc1Cl,XOYAVBUTBHFCGH-UHFFFAOYSA-N
-rxn:4:213006:222682,COc1ccc(-c2cccc(OC)c2NC(=O)OC(C)(C)C)c(C(=O)N2CCC(Oc3ncc(F)cn3)C2)c1,VROGEQHQXFGBCX-UHFFFAOYSA-N
-rxn:4:213007:224663,COc1ccc(C(=O)N2CCC(Oc3ncc(-c4ccc(CN5CCN(C)CC5)c(F)c4)cn3)C2)cc1F,PRHCGMWPIFHJFS-UHFFFAOYSA-N
-rxn:4:213013:225875,CCC(C)C(=O)N1CCC(Oc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)CC1,PIQYDZKJDAYFSV-UHFFFAOYSA-N
-rxn:4:213066:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)o1,RPOVKRMQLJJSFY-UHFFFAOYSA-N
-rxn:4:213066:225515,CC1(C)COc2cccc(-c3ccc(C(=O)N4CCC(N5CC(=O)N(CC(F)(F)F)C5=O)CC4)o3)c2OC1,GUHHYBBPCWBCKW-UHFFFAOYSA-N
-rxn:4:213076:222462,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3c(F)cc4nc(NC(=O)OC(C)(C)C)sc4c3F)cn2)cc1,AZPADSWAQPKJFU-UHFFFAOYSA-N
-rxn:4:213077:228872,COC(=O)c1sccc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C(F)F,OZUDVFDYGQHWRU-UHFFFAOYSA-N
-rxn:4:213110:224366,O=S(=O)(c1ccccc1)N1CCCC(COc2ncc(-c3ccc(OC(F)(F)F)c(OCC4CC4)c3)cn2)C1,GHJNQTGPOSPZKM-UHFFFAOYSA-N
-rxn:4:213112:222702,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C4CCCNC4)ccc3C(F)(F)F)C2)nn1,PXNLIMLHYYKVAW-UHFFFAOYSA-N
-rxn:4:213116:222852,O=S(=O)(c1ccc(F)cc1)N1CCCC(COc2ncc(-c3cccc(CN4CCC(O)CC4)c3)cn2)C1,UOEOYQSTFWHJHH-UHFFFAOYSA-N
-rxn:4:213123:225181,O=C(Cc1ccccc1-c1cccc(CN2CCOCC2)c1F)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1,GKHDSLQTCDTCCZ-UHFFFAOYSA-N
-rxn:4:213133:223750,CC(C)(C)[Si](C)(C)Oc1c(-c2cnc(OCC3CCN(CC4CCCO4)CC3)nc2)ccc2cccnc12,ISIQMTOERYALMV-UHFFFAOYSA-N
-rxn:4:213134:225984,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,FMIAOBUKDVWXED-UHFFFAOYSA-N
-rxn:4:213137:224192,CCOC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1cc(F)ccc1CN1CCN(CC)CC1,DCXDCNMYRVQVBP-UHFFFAOYSA-N
-rxn:4:213144:227261,CCCOc1ccc(F)c(-c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)c1,SAFMQGNRVFOLEC-UHFFFAOYSA-N
-rxn:4:213180:224569,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(OCC5CCCCC5)c4)cn3)CC2)c(C)o1,ZEAAVEXFHXJOJP-UHFFFAOYSA-N
-rxn:4:213191:224498,CCN1CCN(Cc2ccccc2-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,FLFYHUGCAJVLGO-UHFFFAOYSA-N
-rxn:4:213237:226108,CC(C)(C)COc1cccc(-c2ccc(-c3cnc([C@@H]4CC(F)(F)CN4C(=O)OC(C)(C)C)[nH]3)cc2)c1,IQXLJTUBZYVTDJ-DEOSSOPVSA-N
-rxn:4:213243:224153,O=C(CN1CCN(Cc2ccc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)cc2)CC1)N1CCOCC1,NMYOZKVRSOLSLU-UHFFFAOYSA-N
-rxn:4:213246:224283,Cc1ccc(=O)n(CC2CCN(C(=O)Cc3ccc(-c4cnc(OC(C)(C)C)nc4OC(C)(C)C)cc3)CC2)n1,SJSRVAXALCTRQD-UHFFFAOYSA-N
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-rxn:4:213352:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OC4CCN(C(=O)Cc5c[nH]c6ccccc56)C4)nc3)c(F)c2)CC1,WKCMWPUYRPKRMW-UHFFFAOYSA-N
-rxn:4:213412:226728,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(OCC(F)F)cc4F)cc3nn2C)CC1,ZJZIDVFASLDBRE-UHFFFAOYSA-N
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-rxn:4:213475:225680,COc1cc(-c2cc(Cl)cc(-c3ccccn3)c2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,HTSRUTQPLMERJF-VQTMOYBFSA-N
-rxn:4:213480:222724,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(N5CCNCC5)c(C(F)(F)F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,PAMYNLMULLDOIS-UCKIBBKRSA-N
-rxn:4:213480:225984,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(Cl)c(N5CCOCC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QHHOLEBWGJUAKN-UCKIBBKRSA-N
-rxn:4:213481:222999,COC12CC(COC(=O)c3cncc(-c4cc(Cl)cc(C5CCCNC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,NWLPLEDTASXEES-UHFFFAOYSA-N
-rxn:4:213653:222694,O=C(c1cncc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)c1)N1CC(CN2C(=O)COC2=O)C1,FDIHQNFIHSYZLX-UHFFFAOYSA-N
-rxn:4:213661:223945,CCOC(=O)C1CCN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,IMMIUGXIIUDASK-UHFFFAOYSA-N
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-rxn:4:213849:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)C5CCCO5)CC4)nc3)cc2F)CC1,YLCSKAZZDFYINZ-UHFFFAOYSA-N
-rxn:4:213888:224171,CC(C)(C)OC(=O)N1CCCC(c2cncc(-c3ccc(OCCCN4CCCC4)c(F)c3)n2)C1,ATTPASUKZGSULX-UHFFFAOYSA-N
-rxn:4:213894:225898,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnn(CCN4CCOCC4)c3)cn2)CC1,YSDRWWGKNSGTSY-UHFFFAOYSA-N
-rxn:4:213901:225975,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2ccnc(N3CCOCC3)c2Cl)CC1,ONYJAPYVDJCTGQ-UHFFFAOYSA-N
-rxn:4:213958:222614,Cc1cccc(CN2CCC(Oc3ncc(-c4ccc(S(=O)(=O)NC5CC5)cc4C(F)(F)F)cn3)CC2)c1,OWGFZKOZWFDXDN-UHFFFAOYSA-N
-rxn:4:213971:224755,O=C(c1ccc(F)c(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCOCC3)C2)c1)N1CCOCC1,DXIKRHDOIBSSLG-UHFFFAOYSA-N
-rxn:4:213980:225719,COCCOc1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1OC,CMHYRJFSSWKVMT-UHFFFAOYSA-N
-rxn:4:213982:223481,CC1CN(C(=O)OC(C)(C)C)CCC1c1cc(-c2ccc(S(=O)(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2F)ncn1,QTZWRWLILYZHHU-UHFFFAOYSA-N
-rxn:4:213985:222424,Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)c1,QZXJLESONOIQJN-UHFFFAOYSA-N
-rxn:4:213993:224329,CN1CCN(c2ncc(-c3ccc(C(=O)N4CCC(=O)CC4)c(F)c3)cc2C(=O)OC(C)(C)C)CC1,JSUJYKIWEPNTEU-UHFFFAOYSA-N
-rxn:4:213997:222488,Cc1ncc(NC(=O)OCc2ccccc2)cc1-c1cnccc1N1CCN(C(=O)OC(C)(C)C)C(C)C1,JWQRECYRSOMWHJ-UHFFFAOYSA-N
-rxn:4:214008:222859,CC(C)c1sc(-c2ccc(C(=O)NCCN(C)C)cc2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1,CRSXDTRWYXUPAA-UHFFFAOYSA-N
-rxn:4:214012:222856,COc1ccc(C2CCNCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1,XYDNENWNIAVUCO-UHFFFAOYSA-N
-rxn:4:214036:224960,COc1ccc(-c2ccc(C3=NN(S(C)(=O)=O)C(c4ccc(N(C)C)cc4)C3)cc2)cc1OC1CCCC1,NAHWCPFJLVJTIG-UHFFFAOYSA-N
-rxn:4:214051:224980,CC(C)c1sc(-c2cc(C3CC3)cc(-n3cccn3)c2)nc1C(=O)N1CCN(C2CCS(=O)(=O)C2)CC1,ZIRWGQPBYHQZPS-UHFFFAOYSA-N
-rxn:4:214056:225975,CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4-c4ccnc(N5CCOCC5)c4Cl)o3)S2)CC1,YYNUJPVMCJKSNY-UHFFFAOYSA-N
-rxn:4:214082:225592,CC(C)N1CCN(Cc2ccc(-c3cc(F)ccc3CN3CCCC3)cc2N2CCOCC2)CC1,WEJLDNCMFFBEDM-UHFFFAOYSA-N
-rxn:4:214146:223005,CC(C)(C)OC(=O)N1CCn2c(nc(C(F)(F)F)c2-c2ccc(C3CCNCC3)c(Cl)c2)C1,LSKCELLXDJMINF-UHFFFAOYSA-N
-rxn:4:214162:224324,O=C1CCN(C(=O)c2cc(-c3ccc4[nH]c(C(=O)N5CCN(CC(F)(F)F)CC5)cc4c3)ccc2F)CC1,NDJBADVXKMBKGW-UHFFFAOYSA-N
-rxn:4:214180:222389,CC(C)(C)OC(=O)N1CC(c2cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cn3n2)C1,DINZLZQNXSIKQU-UHFFFAOYSA-N
-rxn:4:214206:223920,C#CCn1c(C2CC(=O)N(c3ccccc3-c3ccc(C(=O)N(C)C4CCCCC4)cc3Cl)C2)nc2ccccc21,OCPMZJRLSDJUFU-UHFFFAOYSA-N
-rxn:4:214257:223887,Cc1c(-c2ccc(N3C4CCC3CN(C(=O)OC(C)(C)C)C4)nc2)n(C(=O)OC(C)(C)C)c2ccccc12,DRZUPJQLNXTISS-UHFFFAOYSA-N
-rxn:4:214379:224563,Cc1ccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)c(O[Si](C)(C)C(C)(C)C)c1,PHGNRGSANSRKRM-UHFFFAOYSA-N
-rxn:4:214444:223527,Cc1nn(CCC#N)c(C)c1-c1ccc(F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1,TXLCSORFNQRRBH-UHFFFAOYSA-N
-rxn:4:214477:222545,CN(C)S(=O)(=O)n1cc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c(C(F)(F)F)n1,HWSAZMJUYFIUBK-UHFFFAOYSA-N
-rxn:4:214631:224396,Cc1cc(-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)ccc1S(=O)(=O)N1CCOCC1,GPRNCEMIECZSQV-UHFFFAOYSA-N
-rxn:4:214663:222546,Cn1ncc(-c2ccc(OCCNC3CCCCC3)c(F)c2)c1C(=O)N1CCCC(C(F)(F)F)C1,TUMZXZKXYWXMBG-UHFFFAOYSA-N
-rxn:4:214669:223971,CC(=O)N1CCC(Cc2cnc(-c3cc(N4CCC(C)CC4)cc(C(F)(F)F)c3)cn2)CC1,KLINYNLIFGBSJG-UHFFFAOYSA-N
-rxn:4:214670:223892,CC(=O)N1CCCC(Cc2cnc(-c3ccc(OCCCN4CCN(C)CC4)cc3)cn2)C1,MODLMJJDNNGTHD-UHFFFAOYSA-N
-rxn:4:214679:225295,Cn1cc(-c2ccccc2S(=O)(=O)N2CCCC2)c(CN2CCC(C(F)(F)F)CC2)n1,LVLDENUDBXPMQU-UHFFFAOYSA-N
-rxn:4:214699:223814,CCN1CCN(Cc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3F)cn2)CC1,GOVJYDUTJCFVBY-UHFFFAOYSA-N
-rxn:4:214820:223954,O=C1CCN(CCOc2ccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(F)c3)cc2F)CC1,DIEYEWSBHDAFBY-UHFFFAOYSA-N
-rxn:4:214829:225518,CCCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCSCC2)C1,DRILGVMKJMFSHQ-UHFFFAOYSA-N
-rxn:4:214836:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Cl)cnc3N3CCOC(C(=O)N4CCSCC4)C3)cc2F)CC1,PGYAWQQOOFJIRA-UHFFFAOYSA-N
-rxn:4:214836:224974,CN1CCN(Cc2ccccc2-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCSCC3)C2)CC1,FJMGKAPOAFMQKZ-UHFFFAOYSA-N
-rxn:4:214866:224371,COC(=O)C1CCN(c2ncc(-c3ccc(N4CCCC(C(=O)N5CCOCC5)C4)nc3)cn2)CC1,ONCQKLVUBCKLQZ-UHFFFAOYSA-N
-rxn:4:214872:227464,CCCCSc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cn1,IMIQGEUXBVVQHT-UHFFFAOYSA-N
-rxn:4:214880:223285,Cc1cc(-c2ccccc2NS(C)(=O)=O)cnc1N1CCOC(C(=O)N2CCOCC2)C1,UXQRFBXXSLOCAM-UHFFFAOYSA-N
-rxn:4:214888:222741,O=C(c1cncc(-c2cc(C3CC3)nc(C3CCCNC3)c2)c1)N1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O,COKMZOWTGRUIHZ-UHFFFAOYSA-N
-rxn:4:214890:223607,O=C(c1cncc(-c2cc(-c3cccc(C(F)(F)F)n3)nc(C(F)(F)F)c2)c1)N1CCCN(C2CCSCC2)CC1,GWFMOPPGSYKMLP-UHFFFAOYSA-N
-rxn:4:214966:223541,COC(=O)c1cc([N+](=O)[O-])c2c(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)n[nH]c2c1,PZAXIFVHLHONPH-UHFFFAOYSA-N
-rxn:4:215064:222792,CC(C)(C)OC(=O)Nc1ccc(F)c(-c2nc3c([nH]2)CN(C(=O)OC(C)(C)C)CC3)c1,YTIQDFVGWJLSQW-UHFFFAOYSA-N
-rxn:4:215065:223636,CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cc2C1,AEOOLVXJBHYYKJ-UHFFFAOYSA-N
-rxn:4:215077:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCn5nc(C6CC6)cc5C4)o3)ccc2C)CC1,NCEOTMXFPMPTEK-UHFFFAOYSA-N
-rxn:4:215081:222657,COC(=O)c1nn(C2CCCCO2)c2ncc(-c3ccc(F)c(C(=O)NC4CCCCC4)c3)cc12,QQBCQEWGEHRZFY-UHFFFAOYSA-N
-rxn:4:215099:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cnn3c2CN(C(=O)OC(C)(C)C)[C@H](C)C3)c1,GMVLHMUXOGJKRM-DIAVIDTQSA-N
-rxn:4:215112:223671,CCC(=O)N1CCN(c2nc3ccc(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3s2)CC1,WKNJLXFGVRIZID-UHFFFAOYSA-N
-rxn:4:215170:227297,CN(C)Cc1ccc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c1,PSRBUSUFXPGZRH-UHFFFAOYSA-N
-rxn:4:215296:222977,CCCN1CCC2(CC1)Oc1ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc1C1CC(c3ccccc3)=NN12,CCCBYSLGNYXIRG-UHFFFAOYSA-N
-rxn:4:215301:226652,Cc1cc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)n(C2CCCCO2)n1,MSZWXQDKHFYSOT-UHFFFAOYSA-N
-rxn:4:215371:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(C4(C(F)(F)F)N=N4)c(Cl)c3)c2)CC1,HDGBNMSJNFHOAK-UHFFFAOYSA-N
-rxn:4:215621:223596,Cc1c(C#N)cnc(N(C)C)c1-c1ccc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1,XBYYTRJQTLUDQC-UHFFFAOYSA-N
-rxn:4:215682:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCCC4)c([N+](=O)[O-])c3)ccn2)CC1,BJMMRVDKHNCLON-UHFFFAOYSA-N
-rxn:4:215708:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(C(=O)N3CCOCC3)nc2)CC1,ZAPNKURUGBJXMQ-UHFFFAOYSA-N
-rxn:4:215772:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cncc(N4CCC(C#N)CC4)c3)c2Cl)CC1,SWEYPJDFCOVSEA-UHFFFAOYSA-N
-rxn:4:215819:222466,c1c(-c2cc(N3CCCC3)nc(C3CC3)n2)cc(C2CCNCC2)nc1C1CCCCC1,IRSKSXYJPQVGBU-UHFFFAOYSA-N
-rxn:4:215939:223812,CC(=O)N1CCCN(c2ncc(Cl)cc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)CC1,JPAYINZZBWYVRV-UHFFFAOYSA-N
-rxn:4:216245:222829,CNS(=O)(=O)c1ccc(-c2cnc3c(c2)N(C(=O)C(C)(C)C)CCN3C)c(C(F)(F)F)c1,ZPSQIISSIWCHIN-UHFFFAOYSA-N
-rxn:4:216319:223023,Cc1cc(C)n(C(=O)C2=C3CCCN3c3cc(-c4ccc(CNC(=O)N(C)C)cc4)ccc3S2(=O)=O)n1,QIIGHCUSOLDLGE-UHFFFAOYSA-N
-rxn:4:217889:224498,CCN1CCN(Cc2ccccc2-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)CC1,KNACJNVFYUTMTE-UHFFFAOYSA-N
-rxn:4:217904:224285,CC(=O)N1CCc2c([nH]c3ccccc23)C12C(=O)N(C)c1ccc(-c3ccc(OCCN4CCOCC4)cc3F)cc12,LZOHCXKZRAVKMT-UHFFFAOYSA-N
-rxn:4:218585:223951,CN1CCN(CCOc2ccc(-c3cnc(OCC4CCN(Cc5ccc(C#N)cc5F)CC4)nc3)cc2F)CC1,OTONYOYYOSWEFO-UHFFFAOYSA-N
-rxn:4:218587:225195,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4ccc(F)c(OC5CCCCO5)c4)cn3)CC2)cc1,DKZBABZKYDQNFQ-UHFFFAOYSA-N
-rxn:4:218588:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cnc(OCC2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1,SFPBRAXZURGJIG-UHFFFAOYSA-N
-rxn:4:218619:223959,CCN1CCN(C(=O)c2cc(-c3ccccc3CCC(=O)N3CCC(n4cc(C5CC5)nn4)C3)ccc2Cl)CC1,IFDQKSRCXULCNV-UHFFFAOYSA-N
-rxn:4:218619:225172,O=C(CCc1ccccc1-c1cc(CN2CCOCC2)ccc1F)N1CCC(n2cc(C3CC3)nn2)C1,MDLYTAWWWUOUNA-UHFFFAOYSA-N
-rxn:4:218653:226980,COc1ccc(N2CC(C(=O)N3CC(Cn4cc(-c5cccc6c5C(=O)CCC6)cn4)C3)CC2=O)cc1,UVBODKQMHQBGNR-UHFFFAOYSA-N
-rxn:4:218656:223113,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc4c(c3)C(C)(C)C(=O)N4)cn2)C1,FGJYTYCMGJASDM-UHFFFAOYSA-N
-rxn:4:218656:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(OCC3CCCN(C(=O)c4cn(C)c(=O)cc4OC)C3)nc2)CC1,QXFGXMDXSPJWIX-UHFFFAOYSA-N
-rxn:4:218668:222876,CC(C)(C)NC(=O)c1ccc(-c2cccnc2OC2CCN(C(=O)CN3CCN(c4ccccc4)C3=O)C2)cc1F,OBJUIIBHFWXXEO-UHFFFAOYSA-N
-rxn:4:218681:222969,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4ccc(C(=O)NCC5CC5)cc4)cn3)CC2)CC1,WMUPJCFKXFKBLU-UHFFFAOYSA-N
-rxn:4:218706:223960,CCN1CCN(C(=O)c2cc(-c3c(C)nn(CCC(=O)N4CCN(S(=O)(=O)c5ccc(C)c(C)c5)CC4)c3C)ccc2F)CC1,VMPNPUMHSNHVRK-UHFFFAOYSA-N
-rxn:4:218718:223557,COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(-c4c(F)ccc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c(C)nn12,IQWXYZYBAACYGB-UHFFFAOYSA-N
-rxn:4:218732:223540,COc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(-c5cc(S(=O)(=O)N6CCC7(CC6)OCCO7)ccc5OC)cc4)ccn23)cc1,ZJKRQJAXPNGSRR-UHFFFAOYSA-N
-rxn:4:218773:224950,COc1ccc(-c2ccc(-n3c(SCC(=O)N4CCN(c5ccccc5)CC4)nc4c(c3=O)SCC4)cc2)c(CN2CCCC2)c1,BEPJMHHURBTXRF-UHFFFAOYSA-N
-rxn:4:218786:225239,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5ccc(-c6ccccc6F)nc5F)cccc4c3C2)CC1,PAXQOWRFDDUBHJ-UHFFFAOYSA-N
-rxn:4:218846:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)c1,OONQXFMDHAKQGU-UHFFFAOYSA-N
-rxn:4:218851:224286,CN(c1cnc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)cn1)C1CN(C(=O)OC(C)(C)C)C1,CMRPYWKEBGHBQU-UHFFFAOYSA-N
-rxn:4:218867:223186,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnn(C4CCCCO4)c3)c2)no1,FFNDRUPYQYFQKB-UHFFFAOYSA-N
-rxn:4:218867:226428,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(N4CCCCC4C)cs3)c2)no1,NEUSTSYXTCXCII-UHFFFAOYSA-N
-rxn:4:218867:226662,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(N4CCN(C)CC4)s3)c2)no1,URUCQGFFGMTDPM-UHFFFAOYSA-N
-rxn:4:218867:226729,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cnc(OC4CCOC4)nc3)c2)no1,LKJHZELNBHVBPC-UHFFFAOYSA-N
-rxn:4:218868:226662,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(N4CCN(C)CC4)s3)cc2)no1,XTFRMZDLCHLYSR-UHFFFAOYSA-N
-rxn:4:218877:224004,O=C(CN1CCOC1=O)N1CCCC(Oc2ncc(-c3cnc(Cl)c(-c4ccc(C(F)(F)F)cc4)c3)cn2)C1,AJXLZJNJNIOJFY-UHFFFAOYSA-N
-rxn:4:218882:222699,O=C(c1ccccn1)N1CCCC(COc2ncc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)cn2)C1,KLFQKJCOEBMKFO-UHFFFAOYSA-N
-rxn:4:218884:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCCC(COc5ncccn5)C4)c3)cc2F)CC1,TXUDZPSCFRPANS-UHFFFAOYSA-N
-rxn:4:218885:223997,Cc1cc(-c2cnc(OCC3CCN(C(=O)c4scnc4C)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,UYZTVSKTUIJQGX-UHFFFAOYSA-N
-rxn:4:218900:224394,Cc1ccc(-c2cnn(CC3CN(C(=O)c4cccc(N(C)C)c4)C3)c2)cc1S(=O)(=O)N1CCOCC1,LUXFHOHVBZNNDA-UHFFFAOYSA-N
-rxn:4:218903:224953,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(OCC4CCCCC4)nc3)cc2C#N)CC1,NKOHEHPZGWUMDS-UHFFFAOYSA-N
-rxn:4:218944:222819,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(NC(=O)N4CCOCC4)nc3)cc2[N+](=O)[O-])CC1,GYHMNOZHGVMWEZ-UHFFFAOYSA-N
-rxn:4:218944:227121,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C(C)(C)C)cc3Cl)cc2[N+](=O)[O-])CC1,ZLQVDGGZQXQGAW-UHFFFAOYSA-N
-rxn:4:218972:224593,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(F)c(CN5CCC(C)CC5)c4)cn3)C2)s1,YNOZWWCNWCMMDV-UHFFFAOYSA-N
-rxn:4:218991:223754,CC1CCN(CCCOc2ccc(-c3cn(C)nc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)CC1,KFPUMJVGUQNZKP-UHFFFAOYSA-N
-rxn:4:218991:226543,CCCOc1ccc(F)c(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1F,UTPKWADAUODDIG-UHFFFAOYSA-N
-rxn:4:218993:223532,Cc1nc(C)c(CN2CCC(COc3ncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)CC2)s1,AYWXCNHPTDEYKG-UHFFFAOYSA-N
-rxn:4:218995:224337,Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(-c4cnc(C(F)(F)F)c(C5CCCCC5)c4)o3)CC2)n1,SAGBZAMGJVFZAA-UHFFFAOYSA-N
-rxn:4:218997:222829,CNS(=O)(=O)c1ccc(-c2cnc(OCC3CCCN(Cc4c(C)noc4C)C3)nc2)c(C(F)(F)F)c1,YTXLLDJGAIDOEL-UHFFFAOYSA-N
-rxn:4:218999:222693,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1C#N,GPXZWTZGTXOXND-FQEVSTJZSA-N
-rxn:4:219011:227235,CCOc1ccc(-c2cnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1C#N,ZQHPPFSVZIEBRI-UHFFFAOYSA-N
-rxn:4:219014:222833,CC(C)CCC(=O)Nc1cccc(-c2ccccc2CC(=O)N2CCC(N(C)c3ncc(Cl)cn3)CC2)c1,WNZNBBBZZINMTE-UHFFFAOYSA-N
-rxn:4:219016:225285,CC(C)Cc1ncc(-c2cncc(C(=O)N3CCCC(N(C)c4ncccc4C(F)(F)F)C3)c2)cc1C(F)(F)F,BWMFSZLTXAMTAF-UHFFFAOYSA-N
-rxn:4:219088:223999,CCCCn1c(=O)c2c(nc(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3F)n2CC(C)=O)n(C)c1=O,ISSAUTQSMRXPCY-UHFFFAOYSA-N
-rxn:4:219107:223093,CCC(=O)C1=C(c2ccc(-c3cncc(NS(=O)(=O)C(C)C)c3)cc2)N(C(=O)CC)n2c(C)nnc2S1,NSMHZSJYHHWQQW-UHFFFAOYSA-N
-rxn:4:219144:224817,O=C1c2ccccc2C(=O)N1CCN1CCC(Oc2ncc(-c3ccccc3S(=O)(=O)N3CCOCC3)cn2)CC1,FULLDCHXFCRLCS-UHFFFAOYSA-N
-rxn:4:219187:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)c6ccccc6C5=O)CC4)n3)cc2)c1,RQCNNDIOQCNLRZ-UHFFFAOYSA-N
-rxn:4:219208:225369,CCC(Sc1nc2ccc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3Cl)cc2c2nc3ccccc3n12)C(=O)N1CCOCC1,SWGGTUFZHXBSCQ-UHFFFAOYSA-N
-rxn:4:219319:223521,CC(c1cccc(-c2ccccc2C(=O)N2CC(S(=O)(=O)c3nncn3C)C2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,UIYMHUWERSMCOC-UHFFFAOYSA-N
-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
-rxn:4:219384:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2Cl)CC1,OLJBMNLZKLOCKJ-UHFFFAOYSA-N
-rxn:4:219384:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc(N3CCC(COc4ccncc4Cl)CC3)nc2)CC1,XBCLWCSSRVPUHP-UHFFFAOYSA-N
-rxn:4:219414:227496,CCN(C)c1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C#N)c2)cn1,APXPAWIBXZOANC-UHFFFAOYSA-N
-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
-rxn:4:219500:223223,CCNC(=O)c1cccc(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C#N)c2)c1,USCFYINUKLZING-UHFFFAOYSA-N
-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
-rxn:4:219619:222462,CON(C)C(=O)c1nn(C2CCCCO2)c2ncc(-c3c(F)cc4nc(NC(=O)OC(C)(C)C)sc4c3F)cc12,BTYZCQDSFNFBAN-UHFFFAOYSA-N
-rxn:4:219641:224393,O=C(c1cc2n(n1)CCCO2)N1CCC(Oc2ncccc2-c2cc(C(F)(F)F)ccc2N2CCOCC2)C1,LGGOMEBUYJYKBM-UHFFFAOYSA-N
-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
-rxn:4:219766:222675,COc1cc(-c2cncc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)c2)ccc1NC(=O)OC(C)(C)C,YAGBNRAPBDOHTL-UHFFFAOYSA-N
-rxn:4:219766:225558,O=C(c1cncc(-c2ccccc2OCC2CCOC2)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1,GKLBSIYVWBXAMV-UHFFFAOYSA-N
-rxn:4:219769:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(C2Cn3nc(C(=O)N4CCN(C(C)C)CC4)cc3CO2)cc1,IUHDFOUBMYPYIP-UHFFFAOYSA-N
-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
-rxn:4:221097:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(C(=O)CCc5c(C)n[nH]c5C)C4)nc3)c3ccccc23)CC1,ASHKFOOLVLEFLX-UHFFFAOYSA-N
-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
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-rxn:4:222940:187821,CC(C)(C)NS(=O)(=O)c1cncc(-c2cccc3c2CN(CC(=O)OC(C)(C)C)C3=O)c1,FSSUXQUNDHIZKW-UHFFFAOYSA-N
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-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
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-rxn:5:177184:225639:223065,CCOC(=O)c1c(-c2ccc(N3CCNCC3)cc2F)ccc(C)c1-c1cccnc1N1CCC(C)CC1,WYASMYGAQIMOEA-UHFFFAOYSA-N
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-rxn:5:177186:226662:223061,CCOC(=O)c1cc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(N3CCN(C)CC3)s2)cc1C,JNRLRUDGFXZOIW-UHFFFAOYSA-N
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-rxn:5:177190:223054:226649,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCOCC2)c(-c2ccc(C(C)N3CCC(O)C3)s2)c1,COIKUSIPIQPWDH-UHFFFAOYSA-N
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-rxn:5:177190:225607:227449,CCS(=O)(=O)Cc1ccc(-c2ccc(C3CCOCC3)s2)c(-c2ccc(C(C)N3CCCCC3)s2)c1,SJEJLSFBNGTWJF-UHFFFAOYSA-N
-rxn:5:177190:225784:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(CN3CCOCC3)nc2)c1,UDFHGHQQGYCGEG-UHFFFAOYSA-N
-rxn:5:177192:222989:223065,CCOC(=O)c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccc(N3CCNCC3)cc2C)c1C,XQAGYHAQHLRMEE-UHFFFAOYSA-N
-rxn:5:177730:223061:225631,CN1CCN(c2ccc(-c3ccc(-c4cc(C5CCNCC5)ncc4F)cc3C(=O)OC(C)(C)C)cc2)CC1,CQPUJRFLKFYEPN-UHFFFAOYSA-N
-rxn:5:177733:223061:226644,CC(C)(C)OC(=O)c1cc(-c2cncc(N3CCOCC3)c2)cc(-c2cc(C3CCNCC3)ncc2F)c1,HORFLVJYMUPKOO-UHFFFAOYSA-N
-rxn:5:177733:225451:226085,CC(C)(C)OC(=O)c1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2ccc3c(c2)CCC(C)(C)O3)c1,IYWXNJCIQIGBMH-UHFFFAOYSA-N
-rxn:5:177736:225833:223294,CC(C)(C)OC(=O)c1ccc(-c2csc(N3CCNCC3)n2)c(-c2ccnc(N3CCCCC3)c2F)c1,SNCKCWJXZGSAIF-UHFFFAOYSA-N
-rxn:5:177737:226663:225976,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1-c1ccc(N2CCSCC2)nc1,MGBHQHYDKYYKRC-UHFFFAOYSA-N
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-rxn:5:177738:226060:222405,COc1cc(-c2cccc(C3NC(=O)NC3=O)c2)c(-c2cc(C3CC3)cc(C3CC3)c2)cc1OC1CCC1,UJESZHUKTCVDSO-UHFFFAOYSA-N
-rxn:5:177739:223054:223133,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2ccccc2N2CCNCC2)s1)N1CCC(O)C1,DKLRWZGGGNWEAK-UHFFFAOYSA-N
-rxn:5:177739:223132:223065,CC(C)(C)OC(=O)c1cccc(-c2cccc(N3CCNCC3)c2)c1-c1ccc(N2CCNCC2)cc1F,QRYZLUSIKQEGIU-UHFFFAOYSA-N
-rxn:5:177891:222405:223242,O=C1NC(=O)C(c2cccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccnc(C4CCNC4)c3)c2)N1,ZNWQCTHZAWWSNE-UHFFFAOYSA-N
-rxn:5:177891:223058:222404,O=C1NC(=O)C(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cc(F)nc(C4CCCNC4)c3)cc2)N1,JSOVLKHYZUZSPZ-UHFFFAOYSA-N
-rxn:5:177891:223135:223287,CNS(=O)(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2C2CCCNC2)cc1,MXDYVBHIMQLFLN-UHFFFAOYSA-N
-rxn:5:177891:223138:223355,CNC(=O)c1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccnc(C2CCNCC2)c1,WCQGRGVVDYRKEI-UHFFFAOYSA-N
-rxn:5:177891:223139:223287,CNS(=O)(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCNCC3)nc2)cc1,DXLLJVVHFPFYAX-UHFFFAOYSA-N
-rxn:5:177891:225601:228491,Cn1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3(C#N)CCC3)cc2F)c(=O)n(C)c1=O,XSZDJHXLGWPUBV-UHFFFAOYSA-N
-rxn:5:177891:225784:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccc(CN2CCOCC2)nc1,QIJGGSWECKEDTI-UHFFFAOYSA-N
-rxn:5:177891:225798:226649,O=C(SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1)c1ccccc1-c1ccc(OC2CCOCC2)nc1,YDJHULWWIPEGJR-UHFFFAOYSA-N
-rxn:5:177891:225943:226685,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOCC2)nc1)c1ccccc1-c1ccc(C(=O)N2CCOCC2)s1,PYLZBOLBQHKDMY-UHFFFAOYSA-N
-rxn:5:177891:226364:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCCCC3)nc2)ccc1C1COC1,NWQAEBBGNWDYTG-UHFFFAOYSA-N
-rxn:5:177891:226447:228628,O=C(SC1CS(=O)(=O)CC1c1cc(C2CCC2)cs1)c1ccccc1-c1ccnc(C2CCOCC2)c1,OVSPERVBPSSWMD-UHFFFAOYSA-N
-rxn:5:177891:226586:228306,CC(C)Sc1ncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(OC3CCOC3)c2)cn1,XQCKUIXJFAENMZ-UHFFFAOYSA-N
-rxn:5:177891:226590:228016,O=C(SC1CS(=O)(=O)CC1c1cc(C2CCCC2)cs1)c1ccccc1-c1ccc(OC2CCOC2)nc1,ZVNRALWCMLGGLO-UHFFFAOYSA-N
-rxn:5:177891:226645:228321,COC(=O)c1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(N3CCOCC3)c2)c1,JYKHLKMEMFXYHW-UHFFFAOYSA-N
-rxn:5:177891:226649:223012,COC(=O)c1cc2cc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cccnc3N3CCOCC3)ccc2[nH]1,RKWMBEHIFVBEEI-UHFFFAOYSA-N
-rxn:5:177891:227437:223295,CS(=O)(=O)Nc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCCO3)c2)c1,PORBMVYQYGSHPB-UHFFFAOYSA-N
-rxn:5:177891:227438:228002,O=C(SC1CS(=O)(=O)CC1c1sccc1C1CCCC1)c1ccccc1-c1ccnc(C2CCOC2)c1,JSJLYVYKLQSVEU-UHFFFAOYSA-N
-rxn:5:177891:227656:227656,O=C(SC1CS(=O)(=O)CC1c1cc(N2CCOCC2)cs1)c1ccccc1-c1cc(N2CCOCC2)cs1,SBOQEDDZWODZJU-UHFFFAOYSA-N
-rxn:5:177891:227657:226330,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(N3CCOCC3)s2)s1)N1CCCC1,ZBLXKCDGEUKWGL-UHFFFAOYSA-N
-rxn:5:177891:228063:225607,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnc3c(c2)COCC3)s1)N1CCCCC1,UYKODOWPDUEFIT-UHFFFAOYSA-N
-rxn:5:177891:228794:225803,C[Si](C)(C)c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(OC3CCOCC3)c2)s1,XLXYYLLWEAJDIG-UHFFFAOYSA-N
-rxn:5:177970:225601:226028,N#Cc1c(C(F)(F)F)ccc(-c2cc(OCC3CCCC3)cc(-c3ccc(C4(C#N)CCC4)cc3F)c2)c1F,KOTZYMACILSHJG-UHFFFAOYSA-N
-rxn:5:178118:222405:225926,O=C1NC(=O)C(c2cccc(-c3ccc(-c4ccc(S(=O)(=O)N5CCC5)cc4)cc3OCC3CCCCO3)c2)N1,KDWXVYMJGKJODR-UHFFFAOYSA-N
-rxn:5:178118:223064:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2ccc(C3CCNCC3)nc2F)c(OCC2CCCCO2)c1,VVXRRZBGJLGJGB-UHFFFAOYSA-N
-rxn:5:178118:227507:222960,Cc1cc(-c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)c(OCC3CCCCO3)c2)cc(C2CCNCC2)c1,SJIQNZHSEDZTPS-UHFFFAOYSA-N
-rxn:5:178118:227803:223294,CN(C)S(=O)(=O)n1nccc1-c1ccc(-c2csc(N3CCNCC3)n2)cc1OCC1CCCCO1,VLYWVNXSHAPUSB-UHFFFAOYSA-N
-rxn:5:178120:223139:227803,CN(C)S(=O)(=O)n1nccc1-c1c(OCC2CCOCC2)cccc1-c1ccc(C2CCNCC2)nc1,UFWRJTMLUZIEGV-UHFFFAOYSA-N
-rxn:5:178225:222988:227506,Cc1cc(-c2cccc(OCC3CCCCC3)c2-c2cccc(/C=C/[N+](=O)[O-])c2)cc(C2CCNCC2)n1,RVBODEZYHXJHRZ-OBGWFSINSA-N
-rxn:5:178295:222404:228227,COC(=O)C1(c2cc(-c3ccc(C(C)C)nc3F)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,KMUAHHLMYLGDHO-UHFFFAOYSA-N
-rxn:5:178295:222405:228125,COC(=O)C1(c2cc(-c3ccnc(OC(C)C)c3)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,AYQRRAVSUPUBBI-UHFFFAOYSA-N
-rxn:5:178295:223113:223011,COC(=O)C1(c2cc(-c3cc4[nH]ncc4cc3OC(C)C)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCC(=O)CC1,SYICQCDHJUEMGA-UHFFFAOYSA-N
-rxn:5:178295:223311:227316,COC(=O)C1(c2cc(-c3cc(F)nc(CC(C)C)c3)ccc2-c2cccc(C3CNC3)c2)CCC(=O)CC1,PJBXPFBNPWBHIQ-UHFFFAOYSA-N
-rxn:5:178295:225934:222405,COC(=O)C1(c2cc(-c3cccc(C4NC(=O)NC4=O)c3)ccc2-c2cnc(C(F)(F)F)c(C3CC3)c2)CCC(=O)CC1,BOZYEBULTVIAAI-UHFFFAOYSA-N
-rxn:5:178295:226710:227819,CCc1cc(CC)cc(-c2ccc(-c3ccc(F)c([Si](C)(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,SZBLNWARWVXOAG-UHFFFAOYSA-N
-rxn:5:178295:227045:227989,CC#Cc1ccc(F)c(-c2ccc(-c3cccc(SC(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,FDZKLBKFRKTCHF-UHFFFAOYSA-N
-rxn:5:178295:227071:228443,COCc1cc(C)c(-c2ccc(-c3ccc(F)c(SC)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,KSMNISIHWWCOFW-UHFFFAOYSA-N
-rxn:5:178295:227311:228401,CCC(C)c1cc(F)c(-c2ccc(-c3c(F)ccc(F)c3OC)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,VJJFAARDCQVJIV-UHFFFAOYSA-N
-rxn:5:178295:227362:228435,CCOc1cc(C)cc(F)c1-c1ccc(-c2c(SC)ccc(F)c2F)cc1C1(C(=O)OC)CCC(=O)CC1,VDDZQUGISNDHNB-UHFFFAOYSA-N
-rxn:5:178295:227569:228268,COC(=O)C1(c2cc(-c3ccc(C)c(F)c3SC)ccc2-c2c(OC)ccc(F)c2OC)CCC(=O)CC1,DLWOOUHEMIVTIS-UHFFFAOYSA-N
-rxn:5:178295:228189:227329,CCSc1ccc(F)c(-c2ccc(-c3cc(C(C)=O)ccc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,KTNUASYYGQTXGK-UHFFFAOYSA-N
-rxn:5:178295:228393:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2cc(F)cc(F)c2OC)CCC(=O)CC1,XNQOIVVQOQVQSG-UHFFFAOYSA-N
-rxn:5:178313:226181:225603,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3=CCCCC3)nc2)c(-c2cccc(C3(C#N)CCC3)c2F)c1,XRHCVTFTHPQJNF-UHFFFAOYSA-N
-rxn:5:178313:226918:225407,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3=CCCC3)cc2)c(-c2ccc(C3CCCCCC3)cc2)c1,BGDCUAUVYKSUGO-UHFFFAOYSA-N
-rxn:5:178314:225451:227107,Cc1cc(-c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2O[Si](C)(C)C(C)(C)C)c(F)c(C2CC2)c1,BFKRMVUPQAKTIP-UHFFFAOYSA-N
-rxn:5:178314:226069:226064,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3CCCCC3)c2)ccc1-c1ccc(C2CCCCC2)cc1,KXPBHWDQLXIQQQ-UHFFFAOYSA-N
-rxn:5:178314:227103:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2sccc2C2CCCCC2)ccc1-c1cccc(SC2CCCCC2)c1,WDZFOWGTQDJGRK-UHFFFAOYSA-N
-rxn:5:178315:225440:226916,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3(C#N)CCCC3)cc2)cc(-c2cccc(C3=CCCC3)c2)c1,BJSRNJMTRHYKHW-UHFFFAOYSA-N
-rxn:5:178315:226064:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCCC3)cc2)cc(-c2cccc(SC3CCCCC3)c2)c1,VSLQOPWRACBXCX-UHFFFAOYSA-N
-rxn:5:178315:226179:226779,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C(F)(F)F)cc2)cc(-c2cncc(C3CCCCC3)c2)c1,SJSQVRMMYHXBML-UHFFFAOYSA-N
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-rxn:5:178466:223062:225601,CC(C)OC(=O)c1sc2cc(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(C2(C#N)CCC2)cc1F,PSWLBSCZKLXHFM-UHFFFAOYSA-N
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-rxn:5:182010:225832:226685,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cnc(C3CCOCC3)nc2)ccc1C1CCOCC1,ZXXGUKZXGXFUAI-UHFFFAOYSA-N
-rxn:5:182011:226686:222998,Cc1cnn(C2CCCCO2)c1-c1ccc(C2CCOCC2)cc1-c1cc(F)cc(C2CCCNC2)c1,SGXQDGVHUMJTEK-UHFFFAOYSA-N
-rxn:5:182013:225439:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(C(C)N3CCCC3)c2)cc1C1CCOCC1,IEVWTXOMPZSTKR-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:5:188932:223135:223294,COC(=O)c1cc(-c2csc(N3CCNCC3)n2)c(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)c1,SBPQNSAIDIAODD-UHFFFAOYSA-N
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-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:5:189513:222987:223001,Cc1nc(C2CCNCC2)ccc1-c1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccc(-c3cc(C4CCCNC4)ccc3F)cc2)c1,YOXHXLFNAWIYPO-UHFFFAOYSA-N
-rxn:5:189718:223294:228490,O=[N+]([O-])c1cc(-c2cccc(S(=O)(=O)F)c2)c(-c2csc(N3CCNCC3)n2)cc1OC1CCOCC1,FKTHYTXVYFQOEJ-UHFFFAOYSA-N
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-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
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-rxn:5:190797:225450:225451,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(SC4CCCCC4)cc3)cc(-c3ccc(C(=O)C4CCCC4)cc3)cc21,GDQTYQOMOGPVGQ-UHFFFAOYSA-N
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-rxn:5:190998:223011:225976,COC(=O)c1cc(-c2ccnc(N3CCOCC3)c2F)ccc1N1Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)ccc2OCC1=O,HWGPABBYRUJQKQ-UHFFFAOYSA-N
-rxn:5:190998:227546:226826,COC(=O)c1cc(-c2cc(C)cc(C(F)(F)F)c2F)ccc1N1Cc2cc(-c3cccc(C(=O)OC)c3F)ccc2OCC1=O,IIBSMOMZNWBAHO-UHFFFAOYSA-N
-rxn:5:191026:223306:227086,COC(=O)C1=CN(c2ccc(C)c(-c3ccnc(C4CCCC4)c3)c2)c2cc(-c3ccc4c(c3)CNCC4)ccc2S1(=O)=O,QJTYGGHXFHCHIX-UHFFFAOYSA-N
-rxn:5:191026:226910:228395,CCC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C)c(-c4cc(F)c(F)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)cc1,VXXQTSUQQGVLOF-UHFFFAOYSA-N
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-rxn:5:192234:223054:226643,COc1c(-c2ccc(N3CCOCC3)nc2)cc(-c2ccc(C(C)N3CCC(O)C3)s2)cc1S(N)(=O)=O,UEOBWZCERGRZSY-UHFFFAOYSA-N
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-rxn:5:192234:226649:225607,COc1c(-c2ccc(C(C)N3CCCCC3)s2)cc(-c2cccnc2N2CCOCC2)cc1S(N)(=O)=O,VSKPNIXIPVDTNM-UHFFFAOYSA-N
-rxn:5:192882:225639:225988,CC1CCN(c2ncccc2-c2cnc(OC3CCCC3)c(-c3c(F)cc(C4OCCO4)cc3F)c2)CC1,GRGCCXKMTQHXOK-UHFFFAOYSA-N
-rxn:5:193050:226136:223064,Cc1cc(C#N)c(-c2ccc(-c3ccc(C4CCNCC4)nc3F)c(C(=O)N3CCCC3)c2)cc1C1CC1,GNWYFEYZYXZJEC-UHFFFAOYSA-N
-rxn:5:193051:226665:225515,CC1(C)COc2cccc(-c3cc(-c4cnc(C5CCCOC5)nc4)ccc3CN3CCCC3=O)c2OC1,ZZKDINXECKENOS-UHFFFAOYSA-N
-rxn:5:193226:225976:223006,O=C(c1ccc(-c2ccnc(N3CCOCC3)c2F)c(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,VBFUTDZSFKWEMT-UHFFFAOYSA-N
-rxn:5:193227:225601:223065,N#CC1(c2ccc(-c3cc(C(=O)N4CCOCC4)cc(-c4ccc(N5CCNCC5)cc4F)c3)c(F)c2)CCC1,URFBQVLSMYKXGS-UHFFFAOYSA-N
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-rxn:5:193228:226661:227316,CC(C)Cc1cc(-c2cc(C(=O)N3CCSCC3)cc(-c3cc(N4CCN(C)CC4)cs3)c2)cc(F)n1,FWNGIEXEVAEUPE-UHFFFAOYSA-N
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-rxn:5:193229:223148:227803,CN(C)S(=O)(=O)n1nccc1-c1c(C(=O)N2CCOCC2)cccc1-c1ccccc1C1CNCCO1,YJWMORZUSIFAJL-UHFFFAOYSA-N
-rxn:5:193229:226644:225980,O=C(c1cccc(-c2cncc(N3CCOCC3)c2)c1-c1cc(N2CCOCC2)ncc1F)N1CCOCC1,CFTZAONMQXRBPQ-UHFFFAOYSA-N
-rxn:5:193230:223061:226679,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cnc(N2CCCC2)cc1F)N1CCOCC1,AMKUAAOWPILXDR-UHFFFAOYSA-N
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-rxn:5:193231:226331:223006,N#CC1(c2ccc(-c3ccc(C(=O)N4CCSCC4)c(-c4ccc(F)c(C5CCNCC5)c4)c3)c(F)c2)CC1,FSGISROCECPRCG-UHFFFAOYSA-N
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-rxn:5:193231:227496:226661,CCN(C)c1cc(F)c(-c2ccc(C(=O)N3CCSCC3)c(-c3cc(N4CCN(C)CC4)cs3)c2)cn1,XBPKXZJZTVMLQN-UHFFFAOYSA-N
-rxn:5:193337:226686:225407,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccc(C3CCCCCC3)cc2)c(CN2CCOCC2)c1,UDMGUDGYKINXAS-UHFFFAOYSA-N
-rxn:5:193382:223312:226330,CC(c1ccc(-c2cc(-c3ccc(C4CNC4)cc3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCCC1,BBCPFBPZCSFWSA-UHFFFAOYSA-N
-rxn:5:193382:226330:223294,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3csc(N4CCNCC4)n3)c2)s1)N1CCCC1,CFVDULABLNUBQY-UHFFFAOYSA-N
-rxn:5:193382:226898:223138,Cc1nn(S(=O)(=O)N(C)C)cc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccnc(C3CCNCC3)c2)c1,WQNHKPNBNLNXTP-UHFFFAOYSA-N
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-rxn:5:193382:228229:223006,O=c1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3ccc(F)c(C4CCNCC4)c3)c2)ccn1C1CC1,NZMBTHZYRYROSE-UHFFFAOYSA-N
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-rxn:5:193463:226661:227710,CN1CCN(c2csc(-c3ccc(CN4CCC(=O)CC4)c(-c4ccc(OS(C)(=O)=O)cc4)c3)c2)CC1,QPUDNMDBWPQDOP-UHFFFAOYSA-N
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-rxn:5:193506:222980:229012,CC(C)c1ccsc1-c1cc(-c2ccc(CN3CCNCC3)cc2)ccc1S(=O)(=O)N1CCC(=O)CC1,GMVPTGFYBSXQCQ-UHFFFAOYSA-N
-rxn:5:193506:222980:229015,CC(C)c1sccc1-c1cc(-c2ccc(CN3CCNCC3)cc2)ccc1S(=O)(=O)N1CCC(=O)CC1,YAEFPWWSGNQPTQ-UHFFFAOYSA-N
-rxn:5:193506:222989:228306,Cc1cc(N2CCNCC2)ccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnc(SC(C)C)nc2)c1,WUBJBKWFSBEWKV-UHFFFAOYSA-N
-rxn:5:193506:223133:227957,Cc1nc(C(C)C)ccc1-c1cc(-c2ccccc2N2CCNCC2)ccc1S(=O)(=O)N1CCC(=O)CC1,OTUOYPAUSGVRNR-UHFFFAOYSA-N
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-rxn:5:193506:223294:227951,C[N+](C)(C)c1ccc(-c2cc(-c3csc(N4CCNCC4)n3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1,QNLTZTNWSHYCAG-UHFFFAOYSA-N
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-rxn:5:196916:225577:225449,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2cccc(OC3CCCCC3)c2)ccc1N1CCCCC1=O,RBKIYPWTRXICRX-UHFFFAOYSA-N
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-rxn:5:197876:226432:226132,Cc1cc(C2(C#N)CC2)ccc1-c1cc2c(cc1-c1ccc(C3CCCC3)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VKOCTGLHSBAEDW-UHFFFAOYSA-N
-rxn:5:197876:226579:226320,CN(C)C(=O)c1cc(F)cc(-c2cc3c(cc2-c2cc(C4(C#N)CC4)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,IYNCPQGFMLIZIW-UHFFFAOYSA-N
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-rxn:5:197876:226588:227812,CC(C)Cc1cccc(-c2cc3c(cc2-c2cc(OC4CCC4)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,TUFNDCDNZJXBLK-UHFFFAOYSA-N
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-rxn:5:197876:226594:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1c(F)cc(OC(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,IBZDZJSPXWIVGV-UHFFFAOYSA-N
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-rxn:5:197876:226742:227830,CC1(c2ccc(-c3cc4c(cc3-c3ccc(C#N)cc3C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C4=O)cc2)CC1,CSGQXYTWNGXBLV-UHFFFAOYSA-N
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-rxn:5:197876:226761:228178,COCc1ccc(F)c(-c2cc3c(cc2-c2ccc(SC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SKHCHNKKYQRKGF-UHFFFAOYSA-N
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-rxn:5:197876:226768:226922,CSc1ccc(-c2cc3c(cc2-c2c(C)cc(C4CC4)cc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,MVEWEJFTQPLCKD-UHFFFAOYSA-N
-rxn:5:197876:226768:227028,CSc1ccc(-c2cc3c(cc2-c2cccc(C4(C#N)CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,ASGYSGRRQGGLJJ-UHFFFAOYSA-N
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-rxn:5:197876:226827:227084,Cc1nc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(C(F)(F)F)c(C)c1F)S(=O)(=O)N(C(C)(C)C)C2=O,NGDQEQFAYCHSST-UHFFFAOYSA-N
-rxn:5:197876:226836:227818,CCC(C)c1cccc(-c2cc3c(cc2-c2cn(C(C)C)nc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UDYJXUMZUNWBBV-UHFFFAOYSA-N
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-rxn:5:197876:226891:227946,CC(C)(C)c1ccc(-c2cc3c(cc2-c2cc(C(F)(F)F)cc(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,DNNITXOLAPWARO-UHFFFAOYSA-N
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-rxn:5:197876:226910:227450,CCC(C)(C)c1ccc(-c2cc3c(cc2-c2cccc(C4CC4(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,JWNUREYSUSASNN-UHFFFAOYSA-N
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-rxn:5:197876:226911:226064,CCc1cc(C)cc(CC)c1-c1cc2c(cc1-c1ccc(C3CCCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,FXPWUDBTJRPQKH-UHFFFAOYSA-N
-rxn:5:197876:226912:227297,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cc(CN(C)C)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,RPMNEVQZJSCQCA-UHFFFAOYSA-N
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-rxn:5:197876:226968:227589,Cc1cc(OC(F)F)cc(-c2cc3c(cc2-c2ccc4c(c2)OC(C)(C)C4)S(=O)(=O)N(C(C)(C)C)C3=O)c1,TZQRJFLNHOMHJS-UHFFFAOYSA-N
-rxn:5:197876:227019:226437,CC(C)(C#N)c1cccc(-c2cc3c(cc2-c2cc(C4CCCC4)ncc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,PORVJKTYPFAHQG-UHFFFAOYSA-N
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-rxn:5:197876:227052:226779,CC(C)(C)Sc1ccc(-c2cc3c(cc2-c2ccc(C(=O)C(F)(F)F)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,JOEPSAUFVAXRSW-UHFFFAOYSA-N
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-rxn:5:197876:227076:225677,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CCCCC4)nc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,SYIZSYANPWVSIZ-UHFFFAOYSA-N
-rxn:5:197876:227077:226914,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(CC(C)C)cc2C)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,CWSFTJAYTQUDQH-UHFFFAOYSA-N
-rxn:5:197876:227077:227741,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(C(F)(F)F)nc2C)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,QNXGUHTZNZWUBQ-UHFFFAOYSA-N
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-rxn:5:197876:227087:225811,Cc1cnc(C(C)(C)C)c(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,QLRYDIGKZDGHNM-UHFFFAOYSA-N
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-rxn:5:197876:227124:227124,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,SEPIHDJLGCMSHM-UHFFFAOYSA-N
-rxn:5:197876:227124:227314,CC(C)Cc1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)n1,SXXFHAPEJCNARD-UHFFFAOYSA-N
-rxn:5:197876:227309:226761,CCC(C)c1cc(-c2cc3c(cc2-c2ccc(SC)cc2C(F)(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cc(F)n1,JPZCUVLZBRXJRR-UHFFFAOYSA-N
-rxn:5:197876:227311:227311,CCC(C)c1cc(F)c(-c2cc3c(cc2-c2cnc(C(C)CC)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,MQONHFUHNCIONB-UHFFFAOYSA-N
-rxn:5:197876:227315:227713,CC(C)Cc1cc(F)c(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)C(=O)N(C(C)(C)C)S3(=O)=O)cn1,FEVUHGSOSVBCMQ-UHFFFAOYSA-N
-rxn:5:197876:227336:227311,CCC(C)c1cc(F)c(-c2cc3c(cc2-c2ccc(F)cc2OC(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)cn1,DYNOWCPZBZFJNW-UHFFFAOYSA-N
-rxn:5:197876:227345:227294,Cc1cnc(OC(C)C)c(-c2cc3c(cc2-c2ccc(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,APZNVALYUPJHLA-UHFFFAOYSA-N
-rxn:5:197876:227409:225465,CN1CCC(c2cccc(-c3cc4c(cc3-c3cc(C(C)(C)C)ncc3F)S(=O)(=O)N(C(C)(C)C)C4=O)c2)CC1,BXLVQAODRVRTAG-UHFFFAOYSA-N
-rxn:5:197876:227412:227088,Cc1cc(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)(C)C)n1,RVHXOSYDSQXVCO-UHFFFAOYSA-N
-rxn:5:197876:227412:227561,COc1cc(F)c(-c2cc3c(cc2-c2cnc(C(C)(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1OC,IWLYOHIRHPCQJP-UHFFFAOYSA-N
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-rxn:5:197876:227415:227362,CCOc1cc(C)cc(F)c1-c1cc2c(cc1-c1ccc(C(C)(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,VKEAAHCXMOHIBZ-UHFFFAOYSA-N
-rxn:5:197876:227503:227328,CC(C)Oc1cc(F)cc(-c2cc3c(cc2-c2cc(OC(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,PFBASCSXOSREPF-UHFFFAOYSA-N
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-rxn:5:197876:227524:227076,CCC(C)c1ccc(F)c(-c2cc3c(cc2-c2cc(OC)c(C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,QRYOGGAAWVKUJZ-UHFFFAOYSA-N
-rxn:5:197876:227663:228195,Cc1ccc(-c2cc3c(cc2-c2cn(C(C)(C)C)nc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,REUCCJMSPVKXAK-UHFFFAOYSA-N
-rxn:5:197876:227664:228195,Cc1cc(-c2cc3c(cc2-c2cn(C(C)(C)C)nc2C)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,CPCIQPSGMLCVHX-UHFFFAOYSA-N
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-rxn:5:197876:227705:227045,COc1cc(C(F)F)ncc1-c1cc2c(cc1-c1cccc(SC(C)(C)C)c1)C(=O)N(C(C)(C)C)S2(=O)=O,LWBARBSQFWSJDC-UHFFFAOYSA-N
-rxn:5:197876:227713:227309,CCC(C)c1cc(-c2cc3c(cc2-c2cc(F)ccc2OC(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(F)n1,YQPMCNBPRVCARK-UHFFFAOYSA-N
-rxn:5:197876:227716:227558,Cc1cc(OC(F)F)ccc1-c1cc2c(cc1-c1cccc(F)c1OC(F)F)S(=O)(=O)N(C(C)(C)C)C2=O,JAKUVEYMSXRGGL-UHFFFAOYSA-N
-rxn:5:197876:227724:226151,Cc1cc(OC(C)C)c(-c2cc3c(cc2-c2cc(OC(F)F)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C,BJMBAYOVTVCXFV-UHFFFAOYSA-N
-rxn:5:197876:227741:226920,Cc1ccc(C(C)(C)C)cc1-c1cc2c(cc1-c1ccc(C(F)(F)F)nc1C)S(=O)(=O)N(C(C)(C)C)C2=O,RSMCGEIZEQRIAZ-UHFFFAOYSA-N
-rxn:5:197876:227755:227289,CC(C)(C)Oc1ncccc1-c1cc2c(cc1-c1cc(C(F)(F)F)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,XBTDWZBDFULUIC-UHFFFAOYSA-N
-rxn:5:197876:227755:227741,Cc1nc(C(F)(F)F)ccc1-c1cc2c(cc1-c1cc(C(F)(F)F)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,ORWFOJVRBULPQJ-UHFFFAOYSA-N
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-rxn:5:197876:227782:227328,CC(C)Oc1cc(F)cc(-c2cc3c(cc2-c2ccc(C(F)(F)F)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,DQUNCULJDIYTAM-UHFFFAOYSA-N
-rxn:5:197876:227782:227735,Cc1ncc(-c2cc3c(cc2-c2ccc(C(F)(F)F)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,RILTYLDREXUASN-UHFFFAOYSA-N
-rxn:5:197876:227785:226328,CC(C)(C#N)c1ccc(-c2cc3c(cc2-c2ccc(F)nc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,ROZKZQLXQSWUEE-UHFFFAOYSA-N
-rxn:5:197876:227785:227515,CC(C)Oc1cnc(F)c(-c2cc3c(cc2-c2ccc(F)nc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,MYRMQZNJLJUEJF-UHFFFAOYSA-N
-rxn:5:197876:227817:226437,CC(C)Cc1ccccc1-c1cc2c(cc1-c1cc(C3CCCC3)ncc1F)C(=O)N(C(C)(C)C)S2(=O)=O,GUGDIZYAOFYXFB-UHFFFAOYSA-N
-rxn:5:197876:227861:225820,CC(C)(C)N1C(=O)c2cc(-c3c(C4CC4)cccc3C(F)(F)F)c(-c3cnc4c(c3)CCCC4)cc2S1(=O)=O,YRODBBOFXOGIMI-UHFFFAOYSA-N
-rxn:5:197876:227861:226762,CSc1cc(-c2cc3c(cc2-c2cnc4c(c2)CCCC4)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(F)(F)F)c1,FGWSOKBDZSLBME-UHFFFAOYSA-N
-rxn:5:197876:227870:226031,CC(C)(C)N1C(=O)c2cc(-c3ccc(C(F)(F)F)cc3C(F)F)c(-c3ccc4c(c3)C(=O)CC4)cc2S1(=O)=O,FNJMMPAWDQJDGM-UHFFFAOYSA-N
-rxn:5:197876:228003:225601,CSc1cc(C)c(-c2cc3c(cc2-c2ccc(C4(C#N)CCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c(C)c1,BCUGUINUPIURQI-UHFFFAOYSA-N
-rxn:5:197876:228150:226762,COC(=O)c1ccc(-c2cc3c(cc2-c2cc(SC)cc(C(F)(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,RYXHFTHHVFWWQZ-UHFFFAOYSA-N
-rxn:5:197876:228253:226781,Cc1cc(OC(F)(F)F)cc(-c2cc3c(cc2-c2ccc(P(C)(C)=O)cc2)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NMOSQDPKNPJHNY-UHFFFAOYSA-N
-rxn:5:197876:228282:226176,CC(F)(F)c1ccccc1-c1cc2c(cc1-c1ccncc1C1CCCCC1)C(=O)N(C(C)(C)C)S2(=O)=O,JZKZCMVAGYIFQP-UHFFFAOYSA-N
-rxn:5:197876:228381:226062,CC(C)c1cc(-c2cc3c(cc2-c2c(F)cc(C#N)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,VXJMXCGWWKXFDE-UHFFFAOYSA-N
-rxn:5:197876:228415:226428,CC1CCCCN1c1csc(-c2cc3c(cc2-c2cc(F)ccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,KWBLBCXKOIPLBX-UHFFFAOYSA-N
-rxn:5:197876:228434:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccc(C(F)F)c(F)c1)S(=O)(=O)N(C(C)(C)C)C2=O,NQDXYKDLVBTYHJ-UHFFFAOYSA-N
-rxn:5:197876:228437:226061,CC(C)c1cc(-c2cc3c(cc2-c2ccc(C(F)F)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,BVPZROXDXOCTDL-UHFFFAOYSA-N
-rxn:5:197876:228445:226134,Cc1c(-c2cc3c(cc2-c2c(F)cccc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C#N)cc1C1CC1,GLNQYJKTPIMADE-UHFFFAOYSA-N
-rxn:5:197876:228447:225942,CC(C)c1ncc(-c2cc3c(cc2-c2cccc(C(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(F)(F)F,OGTXVNLVFVXECG-UHFFFAOYSA-N
-rxn:5:197876:228485:226059,CC(C)c1ccc(-c2cc3c(cc2-c2ccncc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C(C)C)c1,BKJUHDCZRQUZBN-UHFFFAOYSA-N
-rxn:5:197876:228493:225395,CC(C)(C)c1cc(-c2cc3c(cc2-c2cc(F)c(F)c(F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C2CC2)c1,NEXMQMVVQMCOOZ-UHFFFAOYSA-N
-rxn:5:197876:228501:226062,CC(C)c1cc(-c2cc3c(cc2-c2cnn(C)c2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc(C(C)C)c1,QVTBHJPCDRPVEM-UHFFFAOYSA-N
-rxn:5:197876:228561:225498,CSCc1cccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,XZJCABPGYBWOEG-UHFFFAOYSA-N
-rxn:5:197876:228579:225499,Cc1ccc(C#N)c(-c2cc3c(cc2-c2ccc(C4CCCCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c1,BXHMGZZFAWJMKS-UHFFFAOYSA-N
-rxn:5:197876:228606:225817,CCc1ccc(F)c(-c2cc3c(cc2-c2ccc(C(F)(F)F)c(C4CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,JSMRZVVGOQXPHS-UHFFFAOYSA-N
-rxn:5:197876:228713:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c(cc1-c1ccn(C(C)(C)C)n1)S(=O)(=O)N(C(C)(C)C)C2=O,WXXBPUDEJGOGQR-UHFFFAOYSA-N
-rxn:5:197876:228762:225811,CCn1cc(-c2cc3c(cc2-c2ccc(C4(C(F)(F)F)CC4)cc2)C(=O)N(C(C)(C)C)S3(=O)=O)ccc1=O,CWSFYHLMZTYDKY-UHFFFAOYSA-N
-rxn:5:197876:228802:225641,CC1CCCN(c2cc(-c3cc4c(cc3-c3ccccc3C(F)F)S(=O)(=O)N(C(C)(C)C)C4=O)ccn2)C1,PPUFAKOHTWFLTN-UHFFFAOYSA-N
-rxn:5:197876:229169:225939,CC(C)c1cc(-c2cc3c(cc2-c2cscc2C(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1C(F)(F)F,SOLFQMKRRLGYTF-UHFFFAOYSA-N
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-rxn:4:173931:223576,CCCOc1ccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)C(F)F)c1F,UAAHXPKFHMEHDO-UHFFFAOYSA-N
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-rxn:4:174103:223809,COC(=O)c1c(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)cc(OC)c(OC)c1OC,WTMSOCNAOYOUAZ-UHFFFAOYSA-N
-rxn:4:174106:224687,O=C1CCN(Cc2cc(F)cc(-c3ccc(OCC4CCC4)cc3OC(F)(F)F)c2)CC1,HEVXZGDQEPXODW-UHFFFAOYSA-N
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-rxn:4:174502:224366,COc1c(-c2ccc(OC(F)(F)F)c(OCC3CC3)c2)cc(C(C)(OC)OC)cc1C(C)(C)C,UMLCEQSVGWFKCJ-UHFFFAOYSA-N
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-rxn:4:174514:222545,CC(C)[Si](Oc1cccc(-c2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)c1)(C(C)C)C(C)C,XGEKJKLZLHAFAC-UHFFFAOYSA-N
-rxn:4:174515:224572,CC1CCCN(c2ccc(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc3)c(C#N)c2)C1,YSVIHNFMVXTMNR-UHFFFAOYSA-N
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-rxn:4:176475:223559,CSc1cccc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1OC(F)F,HUEHIKIUWYBWEX-UHFFFAOYSA-N
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-rxn:4:176894:223559,COC(=O)c1c(F)ccc(SC)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,LOLSPXBEFCWSPU-UHFFFAOYSA-N
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-rxn:4:177388:223753,Cc1ccc(-c2ccc(C(F)(F)F)c(OC(C)C)c2)cc1OCCCN1CCN(C)CC1,KYDFPCZZAIPRAQ-UHFFFAOYSA-N
-rxn:4:177834:222426,COC(=O)C1CC(c2ccc(-c3ccc4c(c3)C3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N4)cc2)C1,SSWIGUHKDMQLRP-UHFFFAOYSA-N
-rxn:4:177836:223811,Cc1cc(OCC2OCCO2)ccc1-c1ccc(CN2CCC3(CC2)OCCO3)c(Cl)c1,IRLMRDWVBABATB-UHFFFAOYSA-N
-rxn:4:177849:223946,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(SC(F)(F)F)cc(C(C)(C)C)c2)c(Cl)c1,QBSWYPPFGXOWKP-UHFFFAOYSA-N
-rxn:4:178154:223959,CCN1CCN(C(=O)c2cc(-c3c(F)c(F)c(COC4CCCCO4)c(F)c3F)ccc2Cl)CC1,IIGRNCUIPMJDBW-UHFFFAOYSA-N
-rxn:4:178248:224375,COC(=O)C1(c2ccc(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3)cc2)CCOCC1,JZLRVLXQUIBQTE-UHFFFAOYSA-N
-rxn:4:178327:222539,COC(=O)C1(c2ccc(-c3ccc4c(c3)CC(NC(=O)OC(C)(C)C)C4)cc2)CCCCC1,CSKIFHXERQLXAC-UHFFFAOYSA-N
-rxn:4:178381:225901,Cc1nn(C(=O)OC(C)(C)C)cc1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C,PLSATRKDUPBDNH-UHFFFAOYSA-N
-rxn:4:178382:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1,UYUVYKYDAALYSB-UHFFFAOYSA-N
-rxn:4:178384:225966,Cc1nn(-c2ccnc(F)c2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,JHMJJTLPBYDOEQ-UHFFFAOYSA-N
-rxn:4:178384:228218,Fc1cnc(C2CC2)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,UZJUWYRCHQMWCI-UHFFFAOYSA-N
-rxn:4:178384:228841,Cc1cc(Cl)c(F)cc1-c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1,OASMHCKIDKMTQB-UHFFFAOYSA-N
-rxn:4:178384:229268,Cc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)sc1Cl,OCEYWBIVQVROEA-UHFFFAOYSA-N
-rxn:4:178588:222884,CC(C)(C)NC(=O)c1cc(F)cc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)c1,PXPWMXSHTJAEEC-UHFFFAOYSA-N
-rxn:4:178588:224488,CC(C)N(C(=O)c1ccc(-c2ccc3c(c2)CCC(O[Si](C)(C)C(C)(C)C)C3)cc1)C(C)C,WLTCUXLLGHVLQB-UHFFFAOYSA-N
-rxn:4:178589:223503,CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(-c3ccc(OS(=O)(=O)C(F)(F)F)c4c3oc3ccccc34)c(F)c2)CC1,YCLSBQNIGZRTOT-UHFFFAOYSA-N
-rxn:4:178597:229327,Cn1nncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,CLLXRDFNCPZMAG-UHFFFAOYSA-N
-rxn:4:178672:223536,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(F)ccc3OC(F)(F)F)cc(F)c2F)CC1,YLSZYIOEJXMBDT-UHFFFAOYSA-N
-rxn:4:178943:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(F)F)cc3C(F)(F)F)cc2F)CC1,QITDTRMOBKPSCG-UHFFFAOYSA-N
-rxn:4:179096:223542,CSc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cc(C(F)F)c1Cl,IDJFCYFVBQSSLC-UHFFFAOYSA-N
-rxn:4:179474:223522,Cc1ccc(S(=O)(=O)C(F)F)cc1-c1cc(F)cc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)c1,FFQWSCVHUXCSIP-UHFFFAOYSA-N
-rxn:4:179927:222622,CCC(C)c1cc(-c2c(C(F)(F)F)ccc(F)c2C2OCCO2)cc(C2CCCNC2)n1,JANSQHIPXGDVHL-UHFFFAOYSA-N
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-rxn:4:180258:223505,Cc1cc(OC(C)(C)C)ccc1-c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,RRTZVPQQEFKTLV-UHFFFAOYSA-N
-rxn:4:180267:223698,CSc1cc(C(C)(C)C)cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)c1Cl,SRCXFYDOTWTZLD-UHFFFAOYSA-N
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-rxn:4:181016:223491,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(F)c(C(F)(F)F)cc3Cl)cc(C(F)(F)F)c2)CC1,NNMMCYJXYSMVDW-UHFFFAOYSA-N
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-rxn:4:183265:224101,CC1CCN(CCOc2cccc(-c3ccc4c(c3)C(=O)C3(CCC(F)(F)CC3)C4)c2)CC1,LRVYBDCKUJSQKV-UHFFFAOYSA-N
-rxn:4:183271:222932,COCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)cc1,BYOJAFXLRDQRIN-UHFFFAOYSA-N
-rxn:4:183271:222945,CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCOCCOCCOCCO3)cc1F,DGAXLWCZJHAFCN-UHFFFAOYSA-N
-rxn:4:183271:225605,Cc1cnc(OC2CCCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCO3)c1,DULJPODEUNTHAG-UHFFFAOYSA-N
-rxn:4:183274:227733,c1ncc(-c2ncc(-c3ccc4c(c3)OCCOCCOCCOCCOCCOCCOCCO4)cn2)s1,RHUFQVIIYWDPCK-UHFFFAOYSA-N
-rxn:4:183274:229294,Cc1cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCOCCO3)co1,PPTMJTMFUFYYIX-UHFFFAOYSA-N
-rxn:4:183504:223535,CCOC(=O)Cc1cc(C(F)F)c(-c2ccc(S(=O)(=O)N(C)Cc3ccc(OC)cc3)c(F)c2)cc1C#N,IAYHYKQEJKVIAP-UHFFFAOYSA-N
-rxn:4:183516:223574,CCOC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,JRXIRHMBXZQLRA-UHFFFAOYSA-N
-rxn:4:183524:224881,CCOC(=O)Cc1c(C#N)cc(C(F)(F)F)cc1-c1cccc(CN2CCCCCC2)c1,ZJKOYDOYRMAIAK-UHFFFAOYSA-N
-rxn:4:183602:224280,CN(C)CCOc1cc(OC(F)(F)F)ccc1-c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2,AVAPILVWIWYGSN-UHFFFAOYSA-N
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-rxn:4:183641:224666,CN1CCN(Cc2cc(-c3cccc(OCCC(=O)ON4C(=O)CCC4=O)c3)ccc2F)CC1,WQXFPIMYHSCNBZ-UHFFFAOYSA-N
-rxn:4:183662:223898,CCN(CC)Cc1ccc(OC(F)(F)F)c(-c2ccc(N(C(=O)OC(C)(C)C)C(C)C)cc2)c1,YZVJUYGARVWLCW-UHFFFAOYSA-N
-rxn:4:183668:222810,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)c(Cl)cn1,WMWJNZXNPPQQKZ-UHFFFAOYSA-N
-rxn:4:183681:222779,CC(C)(C)OC(=O)CC(C#N)c1ccc(-c2ccncc2CNC(=O)OC(C)(C)C)cc1,SBKJZQIUFCULPT-UHFFFAOYSA-N
-rxn:4:183720:222432,CCCN(CC1CC1)C(=O)c1cccc(-c2ccc(S(=O)(=O)NC3CCCCC3)c3ccccc23)c1F,AOMGTTBKSHFABU-UHFFFAOYSA-N
-rxn:4:183772:224764,O=C(COc1cc(OC(F)(F)F)ccc1-c1ccc(C(=O)N2CCOCC2)cc1F)N1CCCC(F)(F)C1,LUDIZQSFCMAXLV-UHFFFAOYSA-N
-rxn:4:183778:223888,CCCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)cc1,CRVIACLSFNYTBK-UHFFFAOYSA-N
-rxn:4:183782:224420,CCN(Cc1cccc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1)C(=O)OC(C)(C)C,YVPURRFMDLMXTN-UHFFFAOYSA-N
-rxn:4:183794:225128,CCN(CC)C(C)(C(=O)OC)c1ccc(F)c(-c2cc(C3(C(=O)OC)CC3)ccc2F)c1,QJWZLGVUDAUCKR-UHFFFAOYSA-N
-rxn:4:183802:222784,CN(Cc1cc(C(F)(F)F)ccc1-c1ccc(NC(=O)OC(C)(C)C)c(F)c1)C(=O)OC(C)(C)C,CMXWSUHDLUVTCI-UHFFFAOYSA-N
-rxn:4:183823:225564,COC(=O)C(C)(C)c1cccc(-c2ccc(Cl)c(CN(C(=O)OC(C)(C)C)C3CC3)c2)c1,HIUIFWNXGMZRDC-UHFFFAOYSA-N
-rxn:4:183836:223135,CCN(C(=O)COc1ccc(-c2cccnc2C2CCCNC2)cc1)C1CCS(=O)(=O)C1,SJASPDARLSUKNM-UHFFFAOYSA-N
-rxn:4:183836:225309,CCN(C(=O)COc1ccc(-c2cc(C3CC3)cc(C(F)(F)F)c2Cl)cc1)C1CCS(=O)(=O)C1,DJNCQOLLIKCSPQ-UHFFFAOYSA-N
-rxn:4:183842:222645,CC1CN(CCOc2cc(OC(F)(F)F)ccc2-c2cccc(OCCN3CCC(O)CC3)c2)CCO1,GDDALPWIMOHGLX-UHFFFAOYSA-N
-rxn:4:183860:222920,COC(=O)CN1CCC(COc2ccccc2-c2ccc(S(=O)(=O)NC3CC3)cc2C)CC1,ZPHAZKVNJFIWON-UHFFFAOYSA-N
-rxn:4:183861:225385,COC(=O)CN1CCC(COc2cccc(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)c2)CC1,JGNLMNQJXXBOFB-UHFFFAOYSA-N
-rxn:4:183885:224291,Fc1cc(-c2ccccc2OCCCN2CCCC(C(F)(F)F)C2)ccc1OCCN1CCOCC1,NAHWAZJVZWMQRZ-UHFFFAOYSA-N
-rxn:4:183900:225564,COC(=O)C(C)(C)c1cccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C(C)C)c1,MDEXVERFFWJGMJ-UHFFFAOYSA-N
-rxn:4:183905:225366,CCCCN(C(=O)c1ccc(-c2ccc(C(C)(F)F)cc2C(F)(F)F)cc1)C1CCS(=O)(=O)C1,JALUAABQCZMDET-UHFFFAOYSA-N
-rxn:4:183911:226868,CC1CCCCN1CCOc1cc(OC(F)(F)F)ccc1-c1ccc(OC(F)(F)F)c(Cl)c1,RKAXADJLPDCQEJ-UHFFFAOYSA-N
-rxn:4:183922:223866,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1-c1ccccc1CN1C(C)(C)CCCC1(C)C,YJWYXJLSXYYRCM-UHFFFAOYSA-N
-rxn:4:183931:222842,Cc1cc(CN(C(=O)OC(C)(C)C)C2CC2)cc(-c2cccc(C(=O)NC3CCCC3)c2)c1,GVQKGRCORWTOST-UHFFFAOYSA-N
-rxn:4:183934:223053,COC(=O)C1CCN(CCCc2ccccc2-c2ccc(C(=O)NC(C)C)cc2F)CC1,CBWDYPHGKUIWEB-UHFFFAOYSA-N
-rxn:4:183941:225374,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)cc(OC)c2F)cc1,RDHJTJXLDRHVOH-UHFFFAOYSA-N
-rxn:4:183963:222804,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccc(NC2CCS(=O)(=O)CC2)cc1,BRGJAJFGVNBFEM-UHFFFAOYSA-N
-rxn:4:183963:224764,Cc1cccc(OCC2CN(C(=O)OC(C)(C)C)C2)c1-c1ccc(C(=O)N2CCOCC2)cc1F,WFKBUJQAUZLSKA-UHFFFAOYSA-N
-rxn:4:183966:226513,COC(=O)c1cc(C#N)cc(-c2cc(Cl)cc(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)c1,GQVFHTHHHKVEGP-UHFFFAOYSA-N
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-rxn:4:187695:222773,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc(C(=O)NC4CCOCC4)cc3)c2)CC1,ABCNCDGDAWFUHG-UHFFFAOYSA-N
-rxn:4:187727:223671,CCCC(=O)Oc1c[nH]c2ccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(Cl)c12,LAKNPVALWKBJFD-UHFFFAOYSA-N
-rxn:4:187779:222606,COCCCN1CCOc2ccc(-c3cccc(C(F)(F)F)c3C(=O)NC(C)(C)C)cc21,LNDXYMWYDBBNHS-UHFFFAOYSA-N
-rxn:4:187793:223777,CCN(CC)C(=O)c1cc2cc(-c3ccc4c(c3F)CCN(C(=O)OC(C)(C)C)C4)ccc2oc1=O,HOWGSLYTVRFXMX-UHFFFAOYSA-N
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-rxn:4:187968:222714,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3cc(NC(=O)OC(C)(C)C)cc(F)c3F)ccc21,OAZPVCPHYGHNEM-UHFFFAOYSA-N
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-rxn:4:187986:224853,COc1ccc(CN2C3CCC2(c2ccc(-c4ccc(C5CCC(C)(C)CC5)cc4)cc2)CC(=O)C3)cc1,JDQUTJWHRQGVAF-UHFFFAOYSA-N
-rxn:4:187990:224484,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1,WGIDBXFYBWCWPD-UHFFFAOYSA-N
-rxn:4:187995:223845,CCc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,CMYMTCWWNHHWLX-UHFFFAOYSA-N
-rxn:4:187999:227266,CCOCc1cc(F)ccc1-c1cc(OC)c2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2,UHMAIELNSSFSHO-UHFFFAOYSA-N
-rxn:4:188471:223539,COC(=O)c1ccc(C(F)(F)F)nc1-c1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,CEMSRKVYGNEDBY-UHFFFAOYSA-N
-rxn:4:188486:223592,COC(=O)c1nc(C(F)(F)F)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl,OERGMQGPMCEWKM-UHFFFAOYSA-N
-rxn:4:188742:223594,COc1ccc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1C=C[N+](=O)[O-],DMPJYOSYIBCBCV-UHFFFAOYSA-N
-rxn:4:188812:223559,COC(=O)c1nc(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)sc1C(C)C,ZQDCMYYDDCCPIS-UHFFFAOYSA-N
-rxn:4:189064:223528,CC(C)(C#N)Cc1cccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,ZSDUVLAOQDWNED-UHFFFAOYSA-N
-rxn:4:189077:223498,COC1CN(Cc2ccc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3)o2)C1,YNARYPKJFWHJPJ-UHFFFAOYSA-N
-rxn:4:189265:223593,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)nc1,ZNETYUQEKHQJNJ-UHFFFAOYSA-N
-rxn:4:189824:223945,COC(=O)c1nc(C2CCCC2)ccc1-c1ccc(OCCCN2CCOCC2)c(F)c1,KHPQPDPNIXARAM-UHFFFAOYSA-N
-rxn:4:189847:224392,CC(=O)N(c1ccc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1)C1C=CS(=O)(=O)C1,HMQATZNOZXDRGI-UHFFFAOYSA-N
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-rxn:4:189872:224758,O=C(c1ccc(-c2ccc(C(F)(F)F)cc2C(=O)N2CCSCC2)cc1Cl)N1CCOCC1,VWHIXVNZLDILBN-UHFFFAOYSA-N
-rxn:4:189918:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc([N+](=O)[O-])c(OC2CCCCC2)c1,KGNMQQDPMKATHH-UHFFFAOYSA-N
-rxn:4:189944:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cccc(CS(=O)(=O)N2CCOCC2)c1,ZGOFPPZLAODZBJ-UHFFFAOYSA-N
-rxn:4:189984:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(/C(C)=N/[S@](=O)C(C)(C)C)cc1,FCXHBUYCKQYKIE-OVLQGGTDSA-N
-rxn:4:190034:222718,C#Cc1ccc(-c2cc(S(=O)(=O)N3CCNCC3)ccc2C)cc1N1CCC(C(F)(F)F)CC1,FGLKDHHXIAFSBC-UHFFFAOYSA-N
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-rxn:4:190142:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(CN3CCC(C(F)(F)F)CC3)c2)c(F)c1,VMFVXWJOMSVTPO-UHFFFAOYSA-N
-rxn:4:190155:224657,COc1ccc(-c2cccc(O[Si](C)(C)C(C)(C)C)c2F)cc1S(=O)(=O)N1CCC(=O)CC1,NUYHLGARUGPIJS-UHFFFAOYSA-N
-rxn:4:190164:222447,COc1ccc2c(c1-c1ccccc1S(=O)(=O)N1CCC(C(F)(F)F)CC1)N=C(NC(=O)OC(C)(C)C)C2,VNHMTDCODIDRJM-UHFFFAOYSA-N
-rxn:4:190179:227315,CC(C)Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC(F)(F)CC3)c(C(F)(F)F)c2)cn1,CMVPQOYUZKFEIY-UHFFFAOYSA-N
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-rxn:4:190228:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C2CCCN2S(=O)(=O)C2CC2)cc1,SBXAWLFWYUQMBV-UHFFFAOYSA-N
-rxn:4:190250:223695,CN(C)Cc1cc(-c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc(C(C)(C)C)c1,DKZCVUUVNAELGA-UHFFFAOYSA-N
-rxn:4:190327:223573,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc(S(C)(=O)=O)ccc3CN3CCCCC3)cc2)CC1,IRJRUPZHXSMZAH-UHFFFAOYSA-N
-rxn:4:190342:224488,CC(c1ccccc1-c1ccc(C(=O)N(C(C)C)C(C)C)cc1)N1CCCC(C(F)(F)F)C1,VWTCOIRNELHDDD-UHFFFAOYSA-N
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-rxn:4:190354:225927,Cc1cc(-c2cc(C(F)(F)F)ccc2N(C)C)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,DCBOGPOBAYOFSL-UHFFFAOYSA-N
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-rxn:4:190388:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(C4CCN(S(=O)(=O)C5CC5)CC4)cc3)cnc21,UBZDBJRWWOEDJM-UHFFFAOYSA-N
-rxn:4:190405:224162,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(C(=O)N4CCSC(c5ccccc5F)CC4)o3)cc21,XASNAHOQJVBGTI-UHFFFAOYSA-N
-rxn:4:190410:222711,COc1ccc(-c2ccc(C3CCN(C(=O)C(C)C)CC3)cc2)cc1S(=O)(=O)NC(C)(C)C,ZZWHDWAZRYZBMK-UHFFFAOYSA-N
-rxn:4:190413:225278,COC(=O)c1ccc(C(=O)OC)c(-c2ccc(OC)cc2C(=O)N2CCC(=C3CC3)CC2)c1,VVPGDMZADXOACJ-UHFFFAOYSA-N
-rxn:4:190447:222675,COc1cc(-c2ccc(N3CCCC(C(=O)C(C)C)C3=O)c(C)c2)ccc1NC(=O)OC(C)(C)C,BXDCMBLEBPFXQW-UHFFFAOYSA-N
-rxn:4:190493:222847,N#Cc1cc(-c2ccccc2S(=O)(=O)N2CCC(c3ccccc3)S(=O)(=O)CC2)cc(C2CCCNC2)c1,NFVQUFWZPOSZNN-UHFFFAOYSA-N
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-rxn:4:202224:225010,CC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(-c2ccc(F)c(CN3CCCCC3)c2)nc1,WOVUJJMKNJMMHG-UHFFFAOYSA-N
-rxn:4:202236:224733,CC1CN(C(=O)OC(C)(C)C)CCC1c1cncc(-c2ccc(OC(F)F)c(OC3CCC3)c2)c1,KASPYLURKQNRII-UHFFFAOYSA-N
-rxn:4:202273:222388,O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2cccc(CN3CCCC(C(=O)N4CCSCC4)C3)c2)c1,TXYCZWOZFFBKEE-UHFFFAOYSA-N
-rxn:4:202328:227832,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CC4)cc3C)CC2)CC1,XMKUXPKYPBWGFB-UHFFFAOYSA-N
-rxn:4:202348:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccccc3C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(C)cc3)c(F)cc2C)CC1,ZPSZJZKKCSVLNM-UHFFFAOYSA-N
-rxn:4:202349:222833,Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc2)CC3)cc1,MXISPJQJVMZCLD-UHFFFAOYSA-N
-rxn:4:202351:224407,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(-c4cccc(S(=O)(=O)N5CCC(F)(F)C5)c4)cc2)CC3)ccc1F,LERQWEGFEQFFHA-UHFFFAOYSA-N
-rxn:4:202352:224061,CCCC1CCC(c2ccc(-c3ccccc3C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(F)c(C)c3)c(F)c2)CC1,LXFIJLXLYNMJPK-UHFFFAOYSA-N
-rxn:4:202355:223140,CCc1ccccc1N1CCN(S(=O)(=O)c2c(C)cc(C)c(-c3ccnc(C4CCCNC4)c3)c2C)CC1,YKIYMMIPDPOROR-UHFFFAOYSA-N
-rxn:4:202425:223525,CCOC(=O)c1c(C(F)F)nc2c(C)cc(-c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn12,YNFFMTCEQWJXLZ-UHFFFAOYSA-N
-rxn:4:202522:224155,CCOC(=O)c1cnc2c(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)cccc2c1N1CCCC1,IKGJCFYZRMOPRJ-UHFFFAOYSA-N
-rxn:4:202561:224365,CCCCOc1cc(-c2ccc3c(c2)C(c2ccccc2)N(CC(=O)OC)C(C)=N3)cc(C(F)(F)F)c1F,GJOAULBQGFQHHY-UHFFFAOYSA-N
-rxn:4:202596:224728,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4cc(OC)ncc4C(=O)OC(C)(C)C)cc32)SC1=S,LVORGQWUVNNAGH-UHFFFAOYSA-N
-rxn:4:202597:222538,CCCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)ccc21,RWEMPVYHFFLJTB-UHFFFAOYSA-N
-rxn:4:202670:222598,Cc1cc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCC4)cnc4ccccc34)cc2)cc(C)c1S(=O)(=O)NC1CCCC1,XQIXEQGJGHMQAP-UHFFFAOYSA-N
-rxn:4:202678:222520,CC(C)[Si](C(C)C)(C(C)C)n1ccc2cnc(-c3ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c3)cc21,AVQCARUOXAIIQE-UHFFFAOYSA-N
-rxn:4:202690:222633,CC1Oc2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,XIHOAXOOWKRESW-UHFFFAOYSA-N
-rxn:4:202690:224720,CC1Oc2ccc(-c3cn(C(=O)OC(C)(C)C)nc3C3CC3)cc2CN(CCc2ccc(S(N)(=O)=O)cc2)C1=O,UFGXYARZBVZFMO-UHFFFAOYSA-N
-rxn:4:202708:224825,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cc(C(=O)N(C)OC)cc([N+](=O)[O-])c3)ccc21,UGFLVDBSNHFFOR-UHFFFAOYSA-N
-rxn:4:202708:226092,CCCCOc1ccc(-c2ccc3c(c2)C(=C2SC(=S)N(Cc4ccc(OC)cc4)C2=O)C(=O)N3CC)c(C)c1,MXZWTOXCMRHDEV-UHFFFAOYSA-N
-rxn:4:202723:225354,CCOc1cc(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCCC4)cnc4ccc(Cl)cc34)cc2)cc(C(F)(F)F)c1F,QGVTWMSTIZVVMR-UHFFFAOYSA-N
-rxn:4:202731:222968,CC(C)CNC(=O)c1ccc(-c2cccnc2OC2CCN(C(=O)C3Oc4ccccc4OC3C)CC2)cc1,XEIWOLLRTTYZAT-UHFFFAOYSA-N
-rxn:4:202733:224821,CCc1ccc(N2C(=O)N(Cc3ccc(-c4ccc(F)c(S(=O)(=O)N5CCCC5)c4)cc3F)C3CS(=O)(=O)CC32)cc1,XRODQMGXOYODGX-UHFFFAOYSA-N
-rxn:4:202741:223637,CC1CCCN(c2ccc3cccc(OCc4ccc(-c5ccccc5C5CCCN(C(=O)OC(C)(C)C)C5)cc4)c3n2)C1,VEFPNMZHFFSFPL-UHFFFAOYSA-N
-rxn:4:202807:222584,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1,DTRAZDGRNYJKDY-UHFFFAOYSA-N
-rxn:4:202807:222684,Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)cc1,DMYFWOUAHBYIDN-UHFFFAOYSA-N
-rxn:4:202882:223646,COC(=O)c1c(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cnn1C(F)F,QKDDGSSRFXQJFN-UHFFFAOYSA-N
-rxn:4:203088:222520,COC(=O)c1ncc([N+](=O)[O-])c(C)c1-c1ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c1,VHPFBHYOAHCULS-UHFFFAOYSA-N
-rxn:4:203384:223481,CCCc1nnc(-c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc2)o1,XHISCDTYATZDQP-UHFFFAOYSA-N
-rxn:4:203505:222521,CC(C)(C)OC(=O)Nc1cc(-c2ccc(/C=N/[S@@](=O)C(C)(C)C)cn2)cc(C(F)(F)F)c1,KGVLRTGCRUUOJA-MCKRUILJSA-N
-rxn:4:203639:222604,COc1ccc(-c2ccc(S(=O)(=O)NN3CCSCC3)cc2)cc1S(=O)(=O)NC1CCCC1,VIGANEZAFINBNQ-UHFFFAOYSA-N
-rxn:4:203757:224304,CC(C)(C)[Si](C)(C)Oc1ccc(F)c(-c2cncc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)c2)c1Cl,YQIKCKXYGNOCKT-UHFFFAOYSA-N
-rxn:4:203788:223840,COc1cc(-c2cc(C)nc(S(C)(=O)=O)n2)c(Cl)cc1-c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1,HAEUZYWTRMZNJG-UHFFFAOYSA-N
-rxn:4:203800:222723,CC(=O)N1CCC(Cc2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)CC1,BAGYFMILCFFRAM-UHFFFAOYSA-N
-rxn:4:203881:222723,CS(=O)(=O)N1CCC(Cc2cccc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)n2)CC1,LPDXTZIPTCRTRY-UHFFFAOYSA-N
-rxn:4:203918:223748,CN(C)Cc1ccc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc1N1CCOCC1,TWUBPRHHVWHBFO-UHFFFAOYSA-N
-rxn:4:203972:226429,CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCC(C)C4)s3)c(C)c2)CC1,HSDHEHPSJJJGOJ-UHFFFAOYSA-N
-rxn:4:203976:222862,CCCCNC(=O)c1ccc(-c2cc(Cl)c(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2C)cc1F,KBJPIMGGWDTWLU-UHFFFAOYSA-N
-rxn:4:204010:224199,CC(=O)N1CCN(Cc2ccc(-c3cccc(CC4CCCN(S(C)(=O)=O)CC4)n3)cc2)CC1,BGRUCTLXGCXGOE-UHFFFAOYSA-N
-rxn:4:204024:223671,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(-c4c[nH]c(CC5CCCCC5)n4)c3)ccn2)CC1,NVSGNBWHPBJIOL-UHFFFAOYSA-N
-rxn:4:204033:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1ccc(Cl)c(C(=O)N2CCC(N3CCCC3)C2)c1,MXKPWOWNQJCREL-UHFFFAOYSA-N
-rxn:4:204075:222854,COc1ccc(C2CCCNC2)cc1-c1cc(C)c(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1C,CGLHMGYTSHJQNE-UHFFFAOYSA-N
-rxn:4:204133:222974,CC(C)(C)NC(=O)c1ccc(-c2ccc(CN3CCOCC3)c(N3CCCCC3)c2)cc1,DGAOMHCRZJIKOS-UHFFFAOYSA-N
-rxn:4:204133:224087,c1cc(OCCN2CCCCCC2)cc(-c2ccc(CN3CCOCC3)c(N3CCCCC3)c2)c1,DYSLNGDVGRCIQB-UHFFFAOYSA-N
-rxn:4:204141:223740,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)c2ccccc2c1,ZNNYSKIPYSYDHI-UHFFFAOYSA-N
-rxn:4:204144:224485,Cc1ccc(C)c(N2CCN(C(=O)c3ccccc3-c3ccn([Si](C(C)C)(C(C)C)C(C)C)c3)CC2)c1,RMTIFCSGTIZEFP-UHFFFAOYSA-N
-rxn:4:204146:222803,FC(F)(F)c1cc(-c2ccc(CN3CCCCC3)c(N3CCCCC3)c2)ccc1C1CCNC1,YJLPRAPPDBTXCX-UHFFFAOYSA-N
-rxn:4:204150:224406,O=C(c1cccc(-c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1)N1CCCN(C2CCSCC2)CC1,NVXCNSFEJSHFPM-UHFFFAOYSA-N
-rxn:4:204166:226665,CC1CCCCN1Cc1ccc(-c2cnc(C3CCCOC3)nc2)cc1N1CCOCC1,OMYNCPYHZBGVKV-UHFFFAOYSA-N
-rxn:4:204170:223184,CC1CCCCN1Cc1ccc(-c2cnc(N3CCNCC3)nc2)cc1N1CCCCC1,ZHHLLMDFIRXDLE-UHFFFAOYSA-N
-rxn:4:204170:224864,CC1CCCCN1Cc1ccc(-c2ccc(CN(C(C)C)C(C)C)cc2)cc1N1CCCCC1,WZLCYBIETJMANQ-UHFFFAOYSA-N
-rxn:4:204172:226382,CC1CCN(Cc2ccc(-c3cnc(C4CCCCC4)nc3)cc2N2CCCCC2)CC1,HTKDGAYUSGIKSB-UHFFFAOYSA-N
-rxn:4:204186:223160,CCNC(=O)c1ccc(-c2c(C)cc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2C)c(F)c1,HFDPXIGDSHMZLW-UHFFFAOYSA-N
-rxn:4:204545:223809,Cc1nn(C(=O)OC(C)(C)C)c2c(-c3cc(N4CCOCC4)cc(N4CCOCC4)c3)cccc12,FAYCUHSWRSGXOT-UHFFFAOYSA-N
-rxn:4:204601:223596,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2-c2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1,FWPZQNCZHDLCNA-UHFFFAOYSA-N
-rxn:4:204647:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cncc2c1OCCN(C(=O)OC(C)(C)C)C2,DCTVFIISQNERKO-UHFFFAOYSA-N
-rxn:4:204681:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)cc1,UVLIZROPFYTCPG-UHFFFAOYSA-N
-rxn:4:204683:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1cnc2c(c1)N(C(=O)OC(C)(C)C)CC2(C)C,NYZWOYWVOUVVFJ-UHFFFAOYSA-N
-rxn:4:204735:224377,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c3ccccc23)CC1,GQMNMQHMDNLCAV-UHFFFAOYSA-N
-rxn:4:204753:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N3C(=NC(=O)c4ccccc4)SC4CS(=O)(=O)CC43)cc2)c1,BAYXZBQFRZTDAN-UHFFFAOYSA-N
-rxn:4:204764:225316,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cnc(-c4cccc(F)c4)nc3Cl)cc2)C1,SKIFQLUMSXZJEG-UHFFFAOYSA-N
-rxn:4:204764:226467,O=C1C2CC=CCC2C(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cc(F)c4ncccc4c3F)cc2)C1,KHMUBYJVZDFCFG-UHFFFAOYSA-N
-rxn:4:204774:227473,CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(-c3cccc(CC[N+](=O)[O-])c3)ccc21,DUJNXLHFWKDZEN-UHFFFAOYSA-N
-rxn:4:204860:225318,COc1ccc(-c2c(F)cc(N3CCOCC3)cc2F)c(C(=O)N2C3CCC2CC2(C3)CN(C)C(=O)CO2)c1,LMIMONDNLNZPPD-UHFFFAOYSA-N
-rxn:4:204866:223891,CC1CCN(C(=O)C2=CN(c3ccc(-c4c(F)ccc5c4ccn5[Si](C)(C)C(C)(C)C)cc3)c3ccccc3S2(=O)=O)CC1,ZLGWLPMRZXSLCH-UHFFFAOYSA-N
-rxn:4:204877:222843,Cc1ccc(-c2ccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccccc43)cc2C)c(C(=O)NC(C)(C)C)c1,JTLJJRUXTWLMKP-UHFFFAOYSA-N
-rxn:4:204893:226504,CON(C)C(=O)c1ccc(-c2nc3c(s2)C2CCCC(C3)N2C(=O)OC(C)(C)C)cc1,YPZQXJINHSTYFA-UHFFFAOYSA-N
-rxn:4:204913:224162,Cn1c2c(c3cc(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)ccc31)CN(C(=O)OC(C)(C)C)CC2,PKCNMULBGIMKAI-UHFFFAOYSA-N
-rxn:4:204960:224825,CCOc1cc2c3c(c1)-c1c(sn(-c4ccc(-c5cc(C(=O)N(C)OC)cc([N+](=O)[O-])c5)cc4)c1=S)C(C)(C)N3C(=O)C2=O,ORFAQINSHHIPPZ-UHFFFAOYSA-N
-rxn:4:205816:222584,O=C(c1ncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc1F)N1CC(F)(F)C1,ICLSUEAPEPIHSV-UHFFFAOYSA-N
-rxn:4:205897:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3nc(C(=O)N4CCOCC4)cs3)c2Cl)CC1,SEJBWPAHCXAVSQ-UHFFFAOYSA-N
-rxn:4:206441:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2nc(C(=O)N3CCOCC3)ccc2F)CC1,TWFIBLPQNMNWDK-UHFFFAOYSA-N
-rxn:4:206516:223743,Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1OCCCN1CCC(C)CC1,IPSWBKJGEGTDRG-UHFFFAOYSA-N
-rxn:4:206579:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ncccc3C3CCCN3C(C)=O)c2)C1,IBJLBIUNCIIOKX-UHFFFAOYSA-N
-rxn:4:206653:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cnc(C(=O)N3CCC(F)(F)CC3)c(F)c2)CC1,OGBCBVDWVFYBBC-UHFFFAOYSA-N
-rxn:4:206678:223693,CC(C)(C)[Si](C)(C)Oc1cc(-c2cncc(CN3CCCCC3)c2)c(F)c(C(F)(F)F)c1,DPWQMSSAAPYSAE-UHFFFAOYSA-N
-rxn:4:206718:223574,Cc1cc(C(=O)N2CCOCC2)ncc1-c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,IWNCGIWQPPVGCJ-UHFFFAOYSA-N
-rxn:4:206752:222799,Cc1cc(-c2cc([N+](=O)[O-])ccc2N2CCC(F)(F)CC2)ccc1S(=O)(=O)NC(C)(C)C,SGBGMLUNLGEILJ-UHFFFAOYSA-N
-rxn:4:206797:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4CN(S(C)(=O)=O)CCO4)nc3)cn2)CC1,AQLOBFUSLGIJTM-UHFFFAOYSA-N
-rxn:4:206852:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(C(=O)N2CCCC2C)cc1C,FJWJUVDDSFSNOI-UHFFFAOYSA-N
-rxn:4:206959:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cccc(N4CCN(S(C)(=O)=O)CC4)c3)cc2)CC1,PNYLAEISEDGVLV-UHFFFAOYSA-N
-rxn:4:206966:223926,N#Cc1cc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)ccc1N1CCC2(CC1)CC2,QPQIFCNUTMXXPQ-UHFFFAOYSA-N
-rxn:4:207080:222776,O=C(c1cncc(-c2ccc(CN3CCC(O)CC3)cc2F)c1)N1CCC2(CC1)OCCCO2,ZCCCHWRMZPMMBS-UHFFFAOYSA-N
-rxn:4:207717:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4[nH]c(C(=O)N5CCCCC5)cc4c3)cc21,PIKWTDIGBOWRPP-UHFFFAOYSA-N
-rxn:4:207778:223697,CC(C)(C)[Si](C)(C)n1ccc2cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cnc21,YWOLDWQGBXWAGA-UHFFFAOYSA-N
-rxn:4:207779:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(S(=O)(=O)N2CCN3CCC2CC3)cc1,FXSCPICRACWVRD-UHFFFAOYSA-N
-rxn:4:207786:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1ccc2c(c1)CN(c1ccc(S(N)(=O)=O)cc1)C(=O)CO2,FCUSPTKNNKGYHD-UHFFFAOYSA-N
-rxn:4:207786:224371,COC(=O)C1CCN(c2ncc(-c3ccc4c(c3)CN(c3ccc(S(N)(=O)=O)cc3)C(=O)CO4)cn2)CC1,JJZFIBQYXCYJRK-UHFFFAOYSA-N
-rxn:4:207786:224373,COc1ccc(-c2ccc3c(c2)CN(c2ccc(S(N)(=O)=O)cc2)C(=O)CO3)cc1S(=O)(=O)N1CCCC1,OCEJRIBZYHRQOH-UHFFFAOYSA-N
-rxn:4:207829:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)cc2)c1,NYTJCFQSIOLFBJ-UHFFFAOYSA-N
-rxn:4:207854:223008,Fc1ccc(C2CCNCC2)cc1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,ADSDZSVGRDICLS-UHFFFAOYSA-N
-rxn:4:207854:224164,Cc1cc2cnn(C3CCCCO3)c2cc1-c1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1,CORCWPFLDXZBET-UHFFFAOYSA-N
-rxn:4:207890:224379,Cc1c(-c2ccccc2S(=O)(=O)N2CCN(C)CC2)cnn1CC12CC3CC(CC(C3)C1)C2,AEWCIYALGCKJRE-UHFFFAOYSA-N
-rxn:4:209796:223748,Fc1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cnc1N1CCC(F)(F)CC1,SXEYSVZRWHYICQ-UHFFFAOYSA-N
-rxn:4:209796:223901,CC1CCN(CCOc2ccc(-c3cnc(N4CCC(F)(F)CC4)c(F)c3)cc2Cl)CC1,KXAZFFRKOJOWEB-UHFFFAOYSA-N
-rxn:4:210681:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C4=CSC5=NCCN45)cc3)cn2)CC1,HAGOGXFHMQTHAK-UHFFFAOYSA-N
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-rxn:4:213005:222546,COc1cnc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)CC2)nc1,KTWIABCFADTSKR-UHFFFAOYSA-N
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-rxn:4:213062:224585,CC1CCN(C(=O)c2ccc(-c3cnc(OC4CCN(C(=O)Cc5ccc(F)cc5F)CC4)nc3)cc2)CC1,DXKGZSYWPSVKCA-UHFFFAOYSA-N
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-rxn:4:213070:223947,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)c1,XUNUUZILHADQDZ-UHFFFAOYSA-N
-rxn:4:213070:225745,CC(C)Cc1ccc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-],FPLAUYKYNZBWGH-UHFFFAOYSA-N
-rxn:4:213104:223681,CC(C)(C)OC(=O)n1c(-c2cccnc2OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc2cc([N+](=O)[O-])ccc21,WRMXRNKTXQOSKS-UHFFFAOYSA-N
-rxn:4:213110:224685,O=C1CCN(C(=O)c2cccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccccc5)C4)nc3)c2)CC1,WIUGIOBESKZHBQ-UHFFFAOYSA-N
-rxn:4:213134:226255,CCCCOc1ccc(Cl)cc1-c1cnc(OC2CCN(C(=O)C(C)(C)CC)CC2)nc1,WKKWNTVTZCMGSW-UHFFFAOYSA-N
-rxn:4:213135:223787,CN1CCN(CCCOc2ccc(-c3cnc(OC4CCN(C(=O)CC(C)(C)C)CC4)nc3)cc2F)CC1,RHCMCSBLCQWWBO-UHFFFAOYSA-N
-rxn:4:213139:223556,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc4c(c3)c3ccccc3n4C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CC1,PFBHWKDVKBPYNH-UHFFFAOYSA-N
-rxn:4:213150:224167,CN(Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1)C(=O)OC(C)(C)C,KTOIIEUGAMMKHS-UHFFFAOYSA-N
-rxn:4:213163:222723,O=C(C1CCCC1)N1CCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)CC1,QTMLIMHQRGCJBL-UHFFFAOYSA-N
-rxn:4:213170:223902,CC1CCN(CCOc2ccc(-c3cccc(S(=O)(=O)N4CCN(CCc5ccccn5)CC4)c3)cc2F)CC1,OMYIQOQQTRMLGY-UHFFFAOYSA-N
-rxn:4:213172:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC(CSc5nccn5C)CC4)cc3)cc2)CC1,ZFPODSZPJVIKAN-UHFFFAOYSA-N
-rxn:4:213176:222606,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3cccc(C(F)(F)F)c3C(=O)NC(C)(C)C)c2)CC1,JWLCAUXDLOPILA-UHFFFAOYSA-N
-rxn:4:213183:223652,COc1ccc(Cl)c2cc(-c3ccc(-c4noc([C@@H]5CCCN5C(=O)OC(C)(C)C)n4)cc3)n(C(=O)OC(C)(C)C)c12,XTTHZXUOXQSLAQ-QFIPXVFZSA-N
-rxn:4:213187:223814,O=C(c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)o1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1,ADHXJHPUKJHMMK-UHFFFAOYSA-N
-rxn:4:213188:224603,O=C(c1ccccc1-c1cccc2c1cnn2C1CCCCO1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,YEECFSLDWAMHJJ-UHFFFAOYSA-N
-rxn:4:213191:227899,CCC#Cc1cncc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cn2)c1,CKZNCLKRZNSUTF-UHFFFAOYSA-N
-rxn:4:213192:224601,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc4c(cnn4C4CCCCO4)c3)n2)CC1,CXOKBGGQIIAOQL-UHFFFAOYSA-N
-rxn:4:213192:228119,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(SC(C)C)nc3)n2)CC1,OOSIVIFYHVRXCU-UHFFFAOYSA-N
-rxn:4:213197:222579,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4ccc(Cl)c(C(=O)Nc5ccccc5C)c4)cc3)C2=O)CC1,UJRIOFREMVAYII-UHFFFAOYSA-N
-rxn:4:213197:226296,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(-c4cc(F)cc(COC(C)C)c4)cc3)C2=O)CC1,XSKBGMSELWZBAG-UHFFFAOYSA-N
-rxn:4:213204:224252,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccccc3-c3ccc(C(=O)N4CCCC(C)C4)c(F)c3)C2)nc1,CYYYLFMLMOLMIO-UHFFFAOYSA-N
-rxn:4:213205:224326,Cc1cnc(OCC2CCCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)c(C)c4)cc3)C2)nc1,MRYFCEGPMLFBAC-UHFFFAOYSA-N
-rxn:4:213214:224746,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(N4CCN(C(C)=O)CC4)nc3)n2)CC1,BGEJOSOOYSEVOT-UHFFFAOYSA-N
-rxn:4:213215:225043,Fc1cc(-c2cnc(OCC3CCN(CC4CCOCC4)CC3)nc2)ccc1OC1CCCCC1,XENLVOUCOVDFPQ-UHFFFAOYSA-N
-rxn:4:213222:225875,CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc(-c4ccc(N5CCOCC5)cc4Cl)o3)CC2)n1,BWKQBSBBPXQTHI-UHFFFAOYSA-N
-rxn:4:213226:223553,CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cccc(-c3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)cc3)c2)[nH]1,XOSMJDWPACFROH-YTTGMZPUSA-N
-rxn:4:213229:223815,CC1CN(c2cc(-c3ccc(Cl)c(CN4CCC5(CC4)OCCO5)c3)cc(F)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C,HYVFUBZDWNMYGV-UHFFFAOYSA-N
-rxn:4:213247:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnn(CC4CN(C(=O)C5(c6ccccc6)CCOCC5)C4)c3)cc2Cl)CC1,CBCWWQKEGRHCRU-UHFFFAOYSA-N
-rxn:4:213253:223111,CC(C)c1n[nH]c2cccc(-c3cnccc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)c12,SCUJZGYRFQSSBJ-UHFFFAOYSA-N
-rxn:4:213258:224316,Cc1nn(CC2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1-c1cc(F)cc(C(=O)N2CCN(C)CC2)c1,HAUBRRZFPVFIQV-UHFFFAOYSA-N
-rxn:4:213271:224858,COc1ccc(-c2cccc3c2C(=O)c2ccccc2-3)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1,GDUXTQSUXDGZDV-UHFFFAOYSA-N
-rxn:4:213281:223177,CS(=O)(=O)NCc1ccc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1,PUKYSIBYWALMFP-UHFFFAOYSA-N
-rxn:4:213281:224643,COc1cccc(Oc2ccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cn2)c1,OGCQQTOGBNCTKK-UHFFFAOYSA-N
-rxn:4:213290:226528,CCOC(=O)c1ccc(-c2cnc(OC3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)nc2)c(Cl)c1,SWYXIVIHBNYZFL-UHFFFAOYSA-N
-rxn:4:213325:223786,C#CCn1c(=NC(=O)c2ccccc2-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)sc2cc(S(N)(=O)=O)ccc21,PUYXLGINNVFFTO-UHFFFAOYSA-N
-rxn:4:213412:226710,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(F)c([Si](C)(C)C)c4F)cc3nn2C)CC1,VFOIZYJKBONXIQ-UHFFFAOYSA-N
-rxn:4:213480:224330,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(Cl)c(C(=O)N5CCC(=O)CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FOVGRWHDYACDCZ-KIESAQMKSA-N
-rxn:4:213655:222542,Cc1ccc(-c2cnn(CC3CN(CC4CCC4)C3)c2)cc1OCCCN1CCNCC1,GENUBEZDMCPXEZ-UHFFFAOYSA-N
-rxn:4:213665:224192,CCOC(=O)N1CCN(c2ncccc2-c2cc(F)ccc2CN2CCN(CC)CC2)CC1,CLZZYLPROURKEY-UHFFFAOYSA-N
-rxn:4:213679:223537,CC(C)(C)OC(=O)n1c(-c2cnn(CC3CN(S(=O)(=O)c4ccc(Cl)cc4)C3)c2)cc2cc(OC(F)(F)F)ccc21,VNRAZVNGZAJVEY-UHFFFAOYSA-N
-rxn:4:213680:226339,N#Cc1cc(Cl)c(C2CC2)c(-c2cc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])cc2F)c1,JEQLMRKBWHFJFJ-UHFFFAOYSA-N
-rxn:4:213707:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)c(C(=O)N4CCC(Oc5ncccn5)C4)c3)c2)CC1,XAGPYLUNWBOODY-UHFFFAOYSA-N
-rxn:4:213714:222903,COCCNC(=O)c1ccc(-c2c[nH]c([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c(Cl)c1,NQGDTRWPPNSEQC-SFHVURJKSA-N
-rxn:4:213725:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(CN4CC(c5nc(C6CC6)no5)C4)cc3)c2)CC1,DTTYCEHQUDYBFC-UHFFFAOYSA-N
-rxn:4:213757:222888,CN(C)S(=O)(=O)N1CCC(Cc2cccc(-c3ccc(CN4CCNCC4)c(Cl)c3)n2)C1,BSHCDNVZEYMVFG-UHFFFAOYSA-N
-rxn:4:213759:223608,CC(C)(C)OC(=O)N1CCCC1c1cnc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cn1,VRENHLWSZBKWJH-UHFFFAOYSA-N
-rxn:4:213770:224627,CN(C)C1CN(C(=O)c2ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)C4)nc3)cc2)C1,MCQILUGFGNHEPX-UHFFFAOYSA-N
-rxn:4:213796:222852,OC1CCN(Cc2cccc(-c3cnn(CC4CN(CC5CCOCC5)C4)c3)c2)CC1,BKPABGSIMKAQBE-UHFFFAOYSA-N
-rxn:4:213800:222684,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccc(OCCN3CCNCC3)c(Cl)c2)ncn1,NQDWJSYCKFIDIV-UHFFFAOYSA-N
-rxn:4:213805:225975,CC(C)(C)OC(=O)N1CCOC(c2ncc(-c3ccnc(N4CCOCC4)c3Cl)cn2)C1,PMNUTKABWSMHKE-UHFFFAOYSA-N
-rxn:4:213839:225975,CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccnc(N3CCOCC3)c2Cl)CC1,ICORZWQHQHBNRS-UHFFFAOYSA-N
-rxn:4:213863:222693,O=S(=O)(NC1CCCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC(Oc4ncccn4)C3)cc2)cc1,RCYMJAOZKXHHTD-UHFFFAOYSA-N
-rxn:4:213893:225709,CN(C)CCCOc1ccc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,MXNHZLBYPXVBRQ-UHFFFAOYSA-N
-rxn:4:213894:222396,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(C(=O)NC4CCC(O)CC4)cc3)cn2)CC1,DSFVHMHTKMFVCX-UHFFFAOYSA-N
-rxn:4:213906:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1,QWBXTKUMFAMZEU-UHFFFAOYSA-N
-rxn:4:213910:222908,CC(C)(C)OC(=O)Nc1cncc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,RIOAOLYBLADKDB-UHFFFAOYSA-N
-rxn:4:213927:222546,Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)CC2)nc(C)n1,YJUNSMXGVQNENX-UHFFFAOYSA-N
-rxn:4:213933:224071,C[Si](C)(C)c1ccc(-c2ccc(-c3cc(C(F)(F)F)cnc3N3CCCN(S(=O)(=O)C4CC4)CC3)cc2)cc1,ADTMHGQRNWMPAV-UHFFFAOYSA-N
-rxn:4:213933:226844,O=C(c1cc(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)ccn1)C(F)(F)F,NXGVGJLWGNXUPX-UHFFFAOYSA-N
-rxn:4:213937:224462,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(C4CCN(C5CC5)CC4)cc3)CC2=O)ccn1,JIMDXOBQCFMBKO-UHFFFAOYSA-N
-rxn:4:213949:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(Cn5nc(C)cc5C)CC4)o3)cc2)CC1,BEGFQSPNPADTKG-UHFFFAOYSA-N
-rxn:4:213972:229081,CN(C)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)s1,RWGGNSFJTNZIDR-UHFFFAOYSA-N
-rxn:4:213973:226708,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cc(C3OCCO3)ccc2Cl)CCO1)N1CCSCC1,YCWCUNIDDQGSEE-UHFFFAOYSA-N
-rxn:4:213979:223774,COc1cccc2c1cc(-c1ccc(C3CCN(C(=O)OC(C)(C)C)CC3C)nn1)n2C(=O)OC(C)(C)C,VFGAKBGPWUONAK-UHFFFAOYSA-N
-rxn:4:213982:224165,Cc1ccc2c(cnn2C2CCCCO2)c1-c1cc(C2CCN(C(=O)OC(C)(C)C)CC2C)ncn1,FSQSMIVSILOFCZ-UHFFFAOYSA-N
-rxn:4:214001:224325,CC1CN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2F)CCN1C(=O)OC(C)(C)C,CYBFWQNWGRERLH-UHFFFAOYSA-N
-rxn:4:214013:222777,COc1cc(N2CCN(C(=O)c3cccc(-c4ccc(CN5CCC(O)CC5)c(Cl)c4)c3C)CC2=O)ccn1,TZDOQVZQIDAKAR-UHFFFAOYSA-N
-rxn:4:214022:224718,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(OCCN5CCOCC5)nc4)cn3)C2)cc1C,HXVGWJNTSNHEBM-UHFFFAOYSA-N
-rxn:4:214027:226574,CN(C)C(=O)c1cc(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)ccc1Cl,GNWYPRBLWJPXOS-UHFFFAOYSA-N
-rxn:4:214028:226231,CCCCOc1ncc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1C,IBSUDBJJWUHLSG-UHFFFAOYSA-N
-rxn:4:214035:224127,CCN1CCN(C(C)c2ccc(-c3ccc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)cc3)cc2)CC1,HSKGWDKZKAAQSI-UHFFFAOYSA-N
-rxn:4:214074:225168,Cc1nn(S(=O)(=O)c2ccc(-c3ccc(CN4CCOCC4)c(F)c3)cc2)c(C)c1S(=O)(=O)N1CCCC(C)C1,YTNGXDBOMVFNHF-UHFFFAOYSA-N
-rxn:4:214201:226574,CN(C)C(=O)c1cc(-c2ccc(N3CC4CC(C3)N4C(=O)OC(C)(C)C)nc2)ccc1Cl,DVVWIWXPBJVFJU-UHFFFAOYSA-N
-rxn:4:214255:224415,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccnc(C(F)(F)C(F)(F)C(F)(F)F)c2)c2c(Cl)ncnc21,PQJQMGYWTAKRGR-UHFFFAOYSA-N
-rxn:4:214322:222977,Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)cc1,KINSVTUYJKTWLT-UHFFFAOYSA-N
-rxn:4:214344:225044,COc1ccc(N2C(=O)C3ON(c4ccc(-c5cc([Si](C)(C)C)cc([Si](C)(C)C)c5)cc4)C(c4cccnc4)C3C2=O)cc1,SDDGKFMJTVNPGL-UHFFFAOYSA-N
-rxn:4:214378:223786,CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)c2)s1,LPGOFGBCIJLHLA-UHFFFAOYSA-N
-rxn:4:214384:223555,O=C(N1CCCC(Oc2ncc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)cn2)C1)C12CC3CC(CC(C3)C1)C2,XNLYDODNPBTTDV-UHFFFAOYSA-N
-rxn:4:214391:226792,COc1ccc(C2=NN3C(C2)c2cc(-c4cnc(N5CCOCC5)nc4)ccc2OC32CCN(Cc3ccccc3)CC2)cc1,HSRPCKNMGCNVQW-UHFFFAOYSA-N
-rxn:4:214636:223823,Cc1noc(C2CN(C(=O)c3ccccc3-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)C2)n1,QWKIEWYEGJXYLE-UHFFFAOYSA-N
-rxn:4:214711:224405,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cn2)CC1,RXRUZTOGPACMJH-UHFFFAOYSA-N
-rxn:4:214712:222541,CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)cn1,UIWVTYVYIKBQFL-UHFFFAOYSA-N
-rxn:4:214715:222637,CCN1CCN(c2cc(-c3ccc(C(C)NC(=O)OC(C)(C)C)cc3)cc(F)c2[N+](=O)[O-])CC1,IKDKESLJHOPSKT-UHFFFAOYSA-N
-rxn:4:214748:224663,CN1CCN(Cc2ccc(-c3cc(C#N)ccc3N3CCC(N(C)C)CC3)cc2F)CC1,XZPWSUBGERNCGV-UHFFFAOYSA-N
-rxn:4:214769:223873,CC1CCN(C(=O)CCc2ccccc2-c2ccc(N3CCN(C(C)C)CC3)c([N+](=O)[O-])c2)CC1,FAENPHSVSPNCCM-UHFFFAOYSA-N
-rxn:4:214776:225047,Cc1cc(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(C)C)CC3)c2)cnc1N1CCC(C)CC1,YLABUVHWYZTUIL-UHFFFAOYSA-N
-rxn:4:214791:222538,Cc1nc(N2CCN(CC3CC3)CC2)ccc1-c1cc(C2CCCC2)nc(C2CCNCC2)c1,MVMQSALWIQYGJG-UHFFFAOYSA-N
-rxn:4:214803:224672,CCN1CCN(c2ccc(-c3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3)c(Cl)c2)CC1,GIHAZWGNGBNKOB-UHFFFAOYSA-N
-rxn:4:214819:226259,CCCCOc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1Cl,WGZRGLCIDGXGCL-UHFFFAOYSA-N
-rxn:4:214820:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(F)c1,VRCSCXUBTIGMQY-UHFFFAOYSA-N
-rxn:4:214820:226259,CCCCOc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(F)c2)cc1Cl,PVGCKQNCGNUQIC-UHFFFAOYSA-N
-rxn:4:214838:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)c(F)c2)CC1,ZWUMVTOUKRZXDV-RZWCHVLBSA-N
-rxn:4:214838:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)c(F)c1,RPIFUERDJIBETJ-UHFFFAOYSA-N
-rxn:4:214839:226249,CCCCOc1cc(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,OHWGOGHESPHUBL-UHFFFAOYSA-N
-rxn:4:214870:227252,CCCOc1cc(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)ccc1Cl,PWTRXJLUBUXLBQ-UHFFFAOYSA-N
-rxn:4:214871:227212,CCCCOc1ncccc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(Cl)c1,ZPQNGNLOSIRYIH-UHFFFAOYSA-N
-rxn:4:214873:224672,CCN1CCN(c2ccc(-c3cnc(N4CCCC(C(=O)N5CCOCC5)C4)c(F)c3)c(Cl)c2)CC1,HCKZLUFMWAJMQH-UHFFFAOYSA-N
-rxn:4:214874:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(F)c3)c2)CC1,KPXJJZLZABJJPG-UHFFFAOYSA-N
-rxn:4:214880:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)CC1,VBMYOYYSMZFTLI-UHFFFAOYSA-N
-rxn:4:214880:227480,CCCOc1nccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)c1Cl,HWXJPABREJWOTD-UHFFFAOYSA-N
-rxn:4:214885:224150,Cc1c(F)cc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(Cl)c2)cc1OCc1ccccc1,RFPHEPFBGWPLAU-UHFFFAOYSA-N
-rxn:4:214888:222790,CC(C)(C)OC(=O)Nc1cc(Cl)cc(-c2cncc(C(=O)N3CCC4(CC3)OC(=O)N(c3ccccc3)C4=O)c2)c1,TXBIEMVQVPVGBK-UHFFFAOYSA-N
-rxn:4:215064:224736,CC(C)COc1cc(C(F)(F)F)ccc1-c1nc2c([nH]1)CN(C(=O)OC(C)(C)C)CC2,XKHQEMJFRZPGRK-UHFFFAOYSA-N
-rxn:4:215066:224755,CC(C)(C)OC(=O)N1CCCn2ncc(-c3cc(C(=O)N4CCOCC4)ccc3F)c21,BPCLUGHDGVFSBB-UHFFFAOYSA-N
-rxn:4:215105:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)cc1,ZFPKWYONGKQMDT-UHFFFAOYSA-N
-rxn:4:215141:224317,CCN1CCN(C(=O)c2cc3cc(-c4ccc(C(=O)N5CCN(C)CC5)cc4F)ccc3[nH]2)CC1,ZIDOUAYIXTUACY-UHFFFAOYSA-N
-rxn:4:215142:224286,CN1CCN(C(=O)Cn2ccc3cc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)ccc32)CC1,LVQTXTNPVMIAOB-UHFFFAOYSA-N
-rxn:4:215198:226554,CCCOc1cc(F)c(-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)sc3c2)cc1F,ZOMMMHREYAMQOC-UHFFFAOYSA-N
-rxn:4:215214:226983,CCCCOc1ccc(-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)cc1,VTGPXSHNCHWKQU-UHFFFAOYSA-N
-rxn:4:215216:223177,CS(=O)(=O)NCc1ccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)sc3c2)cc1,FSQMTOYDFGQEBI-UHFFFAOYSA-N
-rxn:4:215218:223598,O=C1CC(c2nc(-c3ccc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)cc3)no2)CN1c1ccc2c(c1)OCCO2,XKMRCIQWCWVLMX-UHFFFAOYSA-N
-rxn:4:215232:226532,CCOC(=O)c1cc(F)cc(-c2ccc3ccc(N4CCCC(C(=O)N5CCOCC5)C4)nc3c2)c1,LCGXEUOBKQKVLQ-UHFFFAOYSA-N
-rxn:4:215801:224302,CC(C)(C)[Si](C)(C)Oc1c(Cl)ccc(-c2cncc(N3CCCC(C(F)(F)F)C3)n2)c1F,HYHKDKGLVBMAED-UHFFFAOYSA-N
-rxn:4:215818:223867,CC(=O)N1CCC(n2cc(-c3cccc(OCCCN4CCC(C)CC4)c3)cn2)CC1,MNPXHXMWDWDSGW-UHFFFAOYSA-N
-rxn:4:215907:222432,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cn2)CC1,CIEPZCCSGJEVSX-UHFFFAOYSA-N
-rxn:4:215907:224404,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)cn2)CC1,QJGDRVYQOITBAV-UHFFFAOYSA-N
-rxn:4:215988:224168,CCN(C(=O)OC(C)(C)C)c1cccc(-c2nc(N3CCCC(C)C3)cc(C(C)(C)C)n2)c1,SRUGTAFDPVYGFC-UHFFFAOYSA-N
-rxn:4:217796:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3cccc4nnn(C5CCCC5)c34)c2)CC1,BFNXYTXFBGIBPE-UHFFFAOYSA-N
-rxn:4:218582:222703,O=C(Cc1cccnc1)N1CCCC(COc2ncc(-c3ccc(C(F)(F)F)c(C4CCNCC4)c3)cn2)C1,QXDRVOFINUIRCT-UHFFFAOYSA-N
-rxn:4:218587:225385,N#Cc1ccc(S(=O)(=O)N2CCC(COc3ncc(-c4cc(C(F)(F)F)nc(C(F)(F)F)c4)cn3)CC2)cc1,FMMPGYIFUKBUBO-UHFFFAOYSA-N
-rxn:4:218606:223838,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3)cn2)C1,OJNPXSVDNUITPL-UHFFFAOYSA-N
-rxn:4:218606:224373,COc1ccc(-c2cnc(OCC3CCCN(C(=O)c4cccnc4OC)C3)nc2)cc1S(=O)(=O)N1CCCC1,HKHJXWWDKJVBOS-UHFFFAOYSA-N
-rxn:4:218606:224569,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(OCC4CCCCC4)c3)cn2)C1,LKLGEWOKVNFXAD-UHFFFAOYSA-N
-rxn:4:218606:225171,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCOCC4)c3)cn2)C1,DJZCHDIJUNRVLI-UHFFFAOYSA-N
-rxn:4:218606:225179,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cccc(Cl)c3CN3CCOCC3)cn2)C1,UUSGPMCEUSYUGM-UHFFFAOYSA-N
-rxn:4:218606:225187,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(Cl)ccc3CN3CCOCC3)cn2)C1,ISCBVPWBEVRCTA-UHFFFAOYSA-N
-rxn:4:218655:225984,COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cn2)CC1,XNEMPHDVTYEESH-UHFFFAOYSA-N
-rxn:4:218675:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1cncc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)c1,GLKLBSCOJLNVNO-UHFFFAOYSA-N
-rxn:4:218675:226533,CCOC(=O)c1cc(F)ccc1-c1cncc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)c1,UZZGDFJPPQABKA-UHFFFAOYSA-N
-rxn:4:218682:225222,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4cc(N5CCCCC5C)ncc4F)cn3)C2)CC1,NXZROKAAKXDXHR-UHFFFAOYSA-N
-rxn:4:218689:223812,COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccccc4-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)CC3)[nH]n2)cc1,LHCPTBLZFVEGMU-UHFFFAOYSA-N
-rxn:4:218707:222474,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)n3nc(C)c(-c4cccc(C(=O)NCc5ccccc5C)c4F)c3C)CC2)cc1,SIKBXVXEGOTTDO-UHFFFAOYSA-N
-rxn:4:218711:226283,CC(C)COc1ccc(F)c(-c2cc([N+](=O)[O-])ccc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1,RZLIILKAZHSQAC-UHFFFAOYSA-N
-rxn:4:218711:226786,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4ccncn4)nc3)CC2)CC1,NDNXKCVNDARPAI-UHFFFAOYSA-N
-rxn:4:218718:223570,COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c(C)nn12,VTNADFMMTRWUDP-UHFFFAOYSA-N
-rxn:4:218768:225590,COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1-c1ccc(CN2CCCC2)c(F)c1,QZQUOXXOLFNCHO-UHFFFAOYSA-N
-rxn:4:218824:223866,CN(CC1CN(c2ncc(-c3ccccc3CN3C(C)(C)CCCC3(C)C)cn2)C1)S(=O)(=O)C1CC1,OUQYHZLUIHBYLS-UHFFFAOYSA-N
-rxn:4:218846:222654,O=C(NC1CCCCC1)c1cc(-c2cnc(OC3CCN(C(=O)CN4C(=O)CCC4=O)C3)nc2)ccc1Cl,OMYUVYCQGRAEPC-UHFFFAOYSA-N
-rxn:4:218847:222514,COc1ccc(-c2cnc(OC3CCN(C(=O)c4cccnc4OC)C3)nc2)cc1S(=O)(=O)NC1CCCCC1,DWRZCIZQEXSIOU-UHFFFAOYSA-N
-rxn:4:218856:222706,N#Cc1ccc(OC2CCN(C(=O)c3cncc(-c4cc(C5CCNCC5)ccc4C(F)(F)F)c3)CC2)nc1,RADHRAFMURMJLG-UHFFFAOYSA-N
-rxn:4:218867:226645,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccnc(N4CCOCC4)c3)c2)no1,BPDPVMSZXPGDIS-UHFFFAOYSA-N
-rxn:4:218868:225878,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cc(Cl)cc(N4CCOCC4)c3)cc2)no1,FTANXVIEUJUVHE-UHFFFAOYSA-N
-rxn:4:218868:226645,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(N4CCOCC4)c3)cc2)no1,ISQQBLRIYXIABX-UHFFFAOYSA-N
-rxn:4:218909:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cnc(OCC2CCCN(Cc3ccccn3)C2)nc1,BEZHVTYFXUBQBD-UHFFFAOYSA-N
-rxn:4:218919:223575,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccccc3CN3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1,GUDWXLRBDOQJRJ-UHFFFAOYSA-N
-rxn:4:218944:227593,COc1cc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2)c(OC)cc1Cl,QNJAPVURASFQQI-UHFFFAOYSA-N
-rxn:4:218991:223603,Cn1cc(-c2cc(OCc3cccnc3)c(OC(F)(F)F)cc2Cl)c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1,QWPKTKPGOXANBH-UHFFFAOYSA-N
-rxn:4:218992:228078,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc5c(c4)COC5=O)cn3)C2)CC1,HMBDCOUVGJKYCD-UHFFFAOYSA-N
-rxn:4:219001:224484,CCN1CCN(C(=O)N2CCC(Oc3ncccc3-c3ccccc3C(=O)N(C(C)C)C(C)C)C2)C(=O)C1=O,OQDNQZHDNYCUOL-UHFFFAOYSA-N
-rxn:4:219011:222905,CN(c1cnc(-c2cccnc2NC(=O)OC(C)(C)C)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,SKIRRGSOTOVCRZ-UHFFFAOYSA-N
-rxn:4:219044:222812,CC(C)c1nccn1CC1CCN(C(=O)c2cncc(-c3cnc(Cl)c(NC(=O)OC(C)(C)C)c3)c2)CC1,ODTUOZQRXVUBKC-UHFFFAOYSA-N
-rxn:4:219049:222585,COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(-c5ccccc5C(=O)NCCN5CCOCC5)o4)CC3)ncn2)cc1,XEWMIRWRJQHJCA-UHFFFAOYSA-N
-rxn:4:219053:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)c(F)cc2C)CC1,NDUNOBLIBOSNCF-UHFFFAOYSA-N
-rxn:4:219066:225880,O=C(C1CC(=O)N(c2ccccc2)C1)N1CCC(Oc2ncc(-c3cc(C4CCOCC4)ncc3F)cn2)CC1,WSWYMKNWIPBNCI-UHFFFAOYSA-N
-rxn:4:219078:224791,CC(C)OC(=O)c1ccc(-c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c([N+](=O)[O-])c1,FWTNCGKBESENLU-UHFFFAOYSA-N
-rxn:4:219129:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)CC1,DHWJHVZRDWZABP-UHFFFAOYSA-N
-rxn:4:219182:222851,CCc1cc(-c2ccc(OC)cc2C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc(C2CCNCC2)n1,DDNZMBHDHCAMSM-UHFFFAOYSA-N
-rxn:4:219281:223660,Cn1ncc(C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)s1,RUFZHWMZZFMGBN-UHFFFAOYSA-N
-rxn:4:219294:223970,Cc1nc(C(=O)N2CCC(Oc3ncc(-c4ccc(C)c(S(=O)(=O)N5CCC(C)CC5)c4)cn3)C2)cs1,URUXYIFQJSISNN-UHFFFAOYSA-N
-rxn:4:219315:223697,O=S(=O)(c1ccc(-c2cnc(N3CCC(COc4ccc(F)cn4)C3)nc2)c(C(F)(F)F)c1)N1CCCCC1,IFRNYHDEUXRTLF-UHFFFAOYSA-N
-rxn:4:219405:225556,CC(C)(C)OC(=O)c1cccc(-c2nccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1,FABOTIVFSGLUIW-UHFFFAOYSA-N
-rxn:4:219439:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2cccc(CN3CCN(c4nccc(C(F)(F)F)n4)CC3)c2)c1,FODNBMNFHKMSIQ-UHFFFAOYSA-N
-rxn:4:219462:222828,O=S(=O)(NC1CC1)c1cc(F)c(F)cc1-c1cnc(OC2CCCN(S(=O)(=O)N3CCCC3)C2)nc1,HRVRAHJEWSUCMD-UHFFFAOYSA-N
-rxn:4:219464:223602,Cc1cccnc1OCC1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cn2)CC1,DKADJFVLCLEQCS-UHFFFAOYSA-N
-rxn:4:219469:223256,COC(=O)Nc1ccc(-c2cnc(SC)nc2N2CCCN(S(=O)(=O)C3CC3)CC2)cc1,ADEHZSBMDGKSSJ-UHFFFAOYSA-N
-rxn:4:219500:224217,N#Cc1cc(-c2ccc(OCc3ccccc3)c(F)c2F)cnc1N1CCCC(C(=O)N2CCSCC2)C1,UOKATWBKSBVELF-UHFFFAOYSA-N
-rxn:4:219501:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(SC)nc3N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)CC1,PLUUBAAWUKRTSS-BWZATIJHSA-N
-rxn:4:219515:222565,CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1nnc(-c3cccc(C(=O)NCc4ccccc4Cl)c3)s1)C2,UVFMHNAIQZKODZ-UHFFFAOYSA-N
-rxn:4:219517:222833,CC(C)CCC(=O)Nc1cccc(-c2cnc(OCC3CCCN(C4CCN(C)C4=O)C3)nc2)c1,ZVJVSDKYSDGCPW-UHFFFAOYSA-N
-rxn:4:219522:222639,Cc1cc(OC2CCN(C(=O)c3cncc(-c4ccc([C@H](C)NC(=O)OC(C)(C)C)cc4)c3)CC2)nc(C)n1,QUWAMNIKFNNSFE-FQEVSTJZSA-N
-rxn:4:219531:225125,CSc1ncc(-c2cc(F)ccc2OCC2CCOC2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,RZLAYHPGUSJCIJ-UHFFFAOYSA-N
-rxn:4:219535:222798,Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccccc1C(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1,QSYOABKEXVOLCV-UHFFFAOYSA-N
-rxn:4:219537:222720,O=S(=O)(c1ccccc1-c1ccc(N2CCNCC2)cc1C(F)(F)F)N1CCN(c2ccc(C3CC3)nn2)CC1,BDJYQJXYTKQBPO-UHFFFAOYSA-N
-rxn:4:219551:222546,CC(C)N1CCC(N2CCC(Oc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)CC2)C1=O,UCYJFISEDIYOQA-UHFFFAOYSA-N
-rxn:4:219561:223588,Cc1cc(-c2cncc(C(=O)N3CCC(n4nc(-c5ccccc5)ccc4=O)CC3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,VXBZVALZGZKLTL-UHFFFAOYSA-N
-rxn:4:219595:223823,COc1cccc2sc(N3CC(Cn4cc(-c5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)cn4)C3)nc12,SYIUOJBFBVYLLT-UHFFFAOYSA-N
-rxn:4:219619:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnc2c(c1)c(C(=O)N(C)OC)nn2C1CCCCO1,PPOGJGVYPGJOKL-UHFFFAOYSA-N
-rxn:4:219642:224258,CC1CCCCN1C(=O)c1ccc(-c2cnccc2OC2CCN(c3nc4c(cc3C#N)CCC4)C2)c(Cl)c1,NGSUMPWYNDMXBD-UHFFFAOYSA-N
-rxn:4:219643:226005,COc1ccc(N2C(=O)C3N=NN(Cc4cccc(-c5ccc(OCC(F)(F)F)c(F)c5)c4)C3C2=O)cc1,COLOMBPGVDDYFV-UHFFFAOYSA-N
-rxn:4:219649:223979,COc1ccc(-c2cc(C(=O)N3CCCCC3)cc([N+](=O)[O-])c2)c(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)c1,KIZQNCLVKULCNE-UHFFFAOYSA-N
-rxn:4:219655:224489,CC(C)N(Cc1ccc(F)cc1-c1ccc(CC(=O)N2C3CCC2CC(n2cncn2)C3)cc1)C(C)C,GPOOWKXCUQTAKO-UHFFFAOYSA-N
-rxn:4:219675:224360,COC(=O)c1ccc(-c2cccc(Cn3nc4ccc(S(=O)(=O)N5CCCC5)cn4c3=O)c2)n1C(=O)OC(C)(C)C,BCQJLRVTKOVJFJ-UHFFFAOYSA-N
-rxn:4:219690:223294,CC(C)(C)OC(=O)N1CCC(n2nnc3cc(F)c(-c4csc(N5CCNCC5)n4)cc32)CC1,NFIDZPQSIQIYAE-UHFFFAOYSA-N
-rxn:4:219698:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(Cn4nc5n(c(=O)c4=O)CCN5c4ccc(OC)cc4)cc3)c2)CC1,PMZYDZVYJNQFRP-UHFFFAOYSA-N
-rxn:4:219704:225889,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccnn4COCC[Si](C)(C)C)cc3n2)CC1,YQKVMYCOJLONJK-UHFFFAOYSA-N
-rxn:4:219707:225552,CCN(C)c1cc(-c2c(Cl)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3c2F)cc(C2CC2)n1,PMOZWIPIHZNJLL-UHFFFAOYSA-N
-rxn:4:219759:223811,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(CN5CCC6(CC5)OCCO6)c(Cl)c4)cc2)OC3)CC1,RJECJNWKTCJGKA-UHFFFAOYSA-N
-rxn:4:219836:223588,Cc1cc(-c2cccc(C(=O)N3CC(n4nccn4)C3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,DHKKRYQJBUXDEX-UHFFFAOYSA-N
-rxn:4:219861:223671,Cc1c(C(=O)N2CC(n3nccn3)C2)cccc1-c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,ALTWFEFBNSMVEO-UHFFFAOYSA-N
-rxn:4:219937:224325,Cn1cnc(S(=O)(=O)N2CCOC(c3cccc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)n3)C2)c1,GGEDOGHZFQLMRH-UHFFFAOYSA-N
-rxn:4:219950:222708,CSc1ncc(-c2ccc(S(=O)(=O)NC(=O)CC(C)C)cc2)c(N2CCN(C3CCC3)CC2)n1,VDZAAULUJXXSLR-UHFFFAOYSA-N
-rxn:4:219959:224356,CC(C)(C)OC(=O)n1c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc2sc(Cl)cc21,WRQBZZDYEZGCIC-UHFFFAOYSA-N
-rxn:4:219991:224085,CN1C(=O)CN(C2CCN(C(=O)c3cncc(-c4cccc(OCc5ccccc5C#N)c4)c3)CC2)C1=O,CVEWOTVCNREUSK-UHFFFAOYSA-N
-rxn:4:220136:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2ncnc(N3CCN(S(=O)(=O)C4CC4)CC3)c2c1,PCCQAOWHVBRNPG-UHFFFAOYSA-N
-rxn:4:220149:223927,C[Si](C)(C)CCOCn1c(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)cc2cccnc21,CKKNAJMTDPRBST-UHFFFAOYSA-N
-rxn:4:220158:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)CC1,HYZBDLMREVIXCK-UHFFFAOYSA-N
-rxn:4:220200:223812,Cc1nc(-c2c3n(c(=O)n(Cc4cccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)c4)c2=O)CCCC3)no1,JGSIUXJLDAIKEP-UHFFFAOYSA-N
-rxn:4:220205:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(N4CCOC(C(=O)N5CCOCC5)C4)ncc3c2)CC1,YCSDTKFGDUOVKH-UHFFFAOYSA-N
-rxn:4:220298:223593,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CC(C#N)C4)nc3)cc2Cl)CC1,VAMJDTDVEPMEEK-UHFFFAOYSA-N
-rxn:4:220400:224325,CN1CCN(c2cc([N+](=O)[O-])cc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)n2)CC1,UNVRLKKODWWKLX-UHFFFAOYSA-N
-rxn:4:220429:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnc(N3CCCN(C4CCOC4)CC3)nc2)CC1,UTRQXOMOMLCWOY-UHFFFAOYSA-N
-rxn:4:220475:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cc([N+](=O)[O-])c(N4CCCCC4)c4nsnc34)c2)C1,ATJVVVAICMRWJV-UHFFFAOYSA-N
-rxn:4:221087:222770,CN(C(=O)Cc1ccccc1-c1ccc(C(=O)NC2CCCC2)c(Cl)c1)C1CN(c2nccnc2C#N)C1,OMOQDNPSEDFAJZ-UHFFFAOYSA-N
-rxn:4:221101:222826,COc1nn(C)cc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cn2)C1,NWOOWPLJWCHQPH-UHFFFAOYSA-N
-rxn:4:221105:224764,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)cc4F)cn3)C2)nc1C,IRRZLWJWKBFJML-UHFFFAOYSA-N
-rxn:4:221106:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCC(CN(C)c5nccnc5OC)CC4)c3)c(Cl)c2)CC1,UPTGKYADIAWIPS-UHFFFAOYSA-N
-rxn:4:221111:224738,O=C(C1CC(=O)N(c2cccc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)c2)C1)N1CCN(CCn2ccnc2)CC1,YXPXWKXAMUCJTC-UHFFFAOYSA-N
-rxn:4:221114:225345,CCOc1ccc(-c2cc(S(=O)(=O)N(C)C)ccc2OC)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCC3)n2)CC1,XMGVSKOKQGPVNU-UHFFFAOYSA-N
-rxn:4:221121:223030,CC(C)OC(=O)Nc1cccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)c2)c1,JWYFOGMTBSQJSI-UHFFFAOYSA-N
-rxn:4:221121:224988,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(C6CC6)cc5-n5ccnc5)ccc43)CC2)CC1,GAECZIAHQQZANA-UHFFFAOYSA-N
-rxn:4:221169:224355,Cn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4ccc(N5CCC6(CC5)OCCO6)nc4)cn3)C2)cn1,PTXHMRJEQNEPQZ-UHFFFAOYSA-N
-rxn:4:221180:224462,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(C5CCN(C6CC6)CC5)cc4)cn3)CC2)nn1C,WTWMRVQWJLYUID-UHFFFAOYSA-N
-rxn:4:221180:224941,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(CCN5CCOCC5)cc4)cn3)CC2)nn1C,XALJEPWVGNZIBG-UHFFFAOYSA-N
-rxn:4:221232:225986,N#Cc1cc2c(nc1N1CCCC(COc3ncc(-c4ccccc4N4CCCS4(=O)=O)cn3)C1)CCOC2,ZPNXMQATIDOPCS-UHFFFAOYSA-N
-rxn:4:221238:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2cccc(N3CCN(CCCn4nc5ccccn5c4=O)CC3)c2)c1,VYZLDTHKDCQKTD-UHFFFAOYSA-N
-rxn:4:221248:222585,COc1ccc(N2CCN(Cc3cn4c(-c5ccc(-c6ccccc6C(=O)NCCN6CCOCC6)cc5)nnc4s3)CC2)cc1,QRLJCSVZVDYREQ-UHFFFAOYSA-N
-rxn:4:221267:225168,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(CN4CCOCC4)c(F)c3)cc2)n(C)c1=O,JPZBESVZKMNFAA-UHFFFAOYSA-N
-rxn:4:221267:225175,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(F)c(CN4CCOCC4)c3)cc2)n(C)c1=O,DBBWUEUBOVOXJM-UHFFFAOYSA-N
-rxn:4:221267:225176,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(CN4CCOCC4)c(Cl)c3)cc2)n(C)c1=O,AQJKHURYCBKGEA-UHFFFAOYSA-N
-rxn:4:221267:225179,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cccc(Cl)c3CN3CCOCC3)cc2)n(C)c1=O,XWXFGOXCLWRPEM-UHFFFAOYSA-N
-rxn:4:221267:225188,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(Cl)c(CN4CCOCC4)c3)cc2)n(C)c1=O,RHCVWCTVESIWDJ-UHFFFAOYSA-N
-rxn:4:221267:225898,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cnn(CCN4CCOCC4)c3)cc2)n(C)c1=O,LHTPLOAXAVPPPI-UHFFFAOYSA-N
-rxn:4:221360:224325,Cn1cnc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)c1,WCKPIPRTCGHUCN-UHFFFAOYSA-N
-rxn:4:221370:224197,CCN1CCN(Cc2ccc(-c3cnc(SC)nc3N3CCN(c4ccnc(OC)c4)C(=O)C3)cc2F)CC1,XEBGRPDRQXEVSU-UHFFFAOYSA-N
-rxn:4:221380:226237,CN(C)CCOc1ccccc1-c1cncc(C(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1,PHJCUEDVMZNNAF-UHFFFAOYSA-N
-rxn:4:221413:225889,C[Si](C)(C)CCOCn1nccc1-c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)o1,DDTGBXIZSKGEAO-UHFFFAOYSA-N
-rxn:4:221421:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,SQIJOTPLGMUVTB-UHFFFAOYSA-N
-rxn:4:221424:222833,CC(C)CCC(=O)Nc1cccc(-c2cccc(CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,VHXUHIYHOSAHIM-UHFFFAOYSA-N
-rxn:4:221440:222658,Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(C(=O)NC5CCCCC5)c4)cc3)CC2)n1,DDUNLDABOZWJLX-UHFFFAOYSA-N
-rxn:4:221447:223179,CONC(=O)c1cc(-c2ccc(CN3CCN(c4cc(C)nc(N5CCOCC5)n4)CC3)cc2)ccc1F,BVKLAZYNGODGTG-UHFFFAOYSA-N
-rxn:4:221498:224197,CCN1CCN(Cc2ccc(-c3c[nH]c4ncnc(N5CCN(C(=O)OC(C)(C)C)CC5)c34)cc2F)CC1,GCVLHTGPKNZZTP-UHFFFAOYSA-N
-rxn:4:221515:225209,Cc1nc(N2CCCCC2C)ncc1-c1cncc(C(=O)N2CC3CN(c4cc(C5CC5)ncn4)CC3C2)c1,IZNIWXCVJORJJH-UHFFFAOYSA-N
-rxn:4:221546:225171,COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)cc(CN4CCOCC4)c3)cc2)n(C)c1=O,BPMYHNLSZFXNNN-UHFFFAOYSA-N
-rxn:4:221596:222705,COCn1nc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)nc1N1CCN(C)CC1,QWRVJKNZJLWYGQ-UHFFFAOYSA-N
-rxn:4:221599:223506,Cc1ccnc(N2CC(Cn3cc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)n1,ULTMUSSFGDDXHJ-UHFFFAOYSA-N
-rxn:4:221618:224789,CCCOc1cc(OC(F)(F)F)cc(-c2cnc(N3CCN(c4ccnc(C(F)(F)F)c4)C(=O)C3)nc2)c1,SPKZVVJRWDRDPQ-UHFFFAOYSA-N
-rxn:4:221726:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(N(C)C5=NS(=O)(=O)c6ccccc65)CC4)nc3)ccc2C)CC1,QOUKUNZUZOZOFB-UHFFFAOYSA-N
-rxn:4:221730:222634,Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,KKLMEMBGDULACT-UHFFFAOYSA-N
-rxn:4:221750:224460,CC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CC4)cc(N4CCCCC4)c3)cc2)n(C)c1=O,AVWWKDKFIIFZQT-UHFFFAOYSA-N
-rxn:4:221762:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(C(C)C)c(C)c(C)n56)n(C)c4=O)cc3)cc2)CC1,ZPQQPEXXQNYPET-UHFFFAOYSA-N
-rxn:4:221832:222819,O=C(Nc1ccc(-c2cnc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cn1)N1CCOCC1,IPJHYEBGALASJU-UHFFFAOYSA-N
-rxn:4:221836:222819,O=C(Nc1ccc(-c2cnc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc2)cn1)N1CCOCC1,IZYZQKTWZRPKCC-UHFFFAOYSA-N
-rxn:4:221836:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cnc(N4CCCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)cc2)CC1,DLXJKFICUBYFNN-UHFFFAOYSA-N
-rxn:4:221965:223239,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cncc(C6CCCN6)c5)cc4)CC3)nn2)CC1,IUCGQVCCQQOBTN-UHFFFAOYSA-N
-rxn:4:221977:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2cnc(OCC3CCCN(c4nccn5nc(C6CC6)cc45)C3)nc2)cc1,PIJWQRDTADDFEK-UHFFFAOYSA-N
-rxn:4:221981:223775,COc1ccc2c(c1)c(-c1cccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C(C)C)cc6)C(=O)C54)n3)c1)cn2C(=O)OC(C)(C)C,GPEIUBHAVZMAMR-UHFFFAOYSA-N
-rxn:4:221985:225175,Cn1cc(-c2nc3cnc(-c4ccc(F)c(CN5CCOCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,TWCNIHFFHYZBAT-XMMPIXPASA-N
-rxn:4:221985:225875,Cn1cc(-c2nc3cnc(-c4ccc(N5CCOCC5)cc4Cl)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,NZLIHULZPCHHJB-JOCHJYFZSA-N
-rxn:4:222054:227114,Cc1cc(C2CC2)cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)c1Cl,IDTKKCDLNKEQDZ-UHFFFAOYSA-N
-rxn:4:222054:227697,COC(=O)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(C)CC5)nn4)CC3)o2)cnc1Cl,YYCHSBTZAHLWCJ-UHFFFAOYSA-N
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-rxn:4:222089:225168,O=C1C2N=NN(Cc3nc(-c4ccc(-c5ccc(CN6CCOCC6)c(F)c5)cc4)no3)C2C(=O)N1c1ccc(F)cc1,LSPLUCICDOPPCX-UHFFFAOYSA-N
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-rxn:4:222193:225172,Cn1nc2cc(-c3cc(CN4CCOCC4)ccc3F)ccc2c1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1,VPEKGWKJDFAPOX-UHFFFAOYSA-N
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-rxn:4:222284:223811,COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6ccc(CN7CCC8(CC7)OCCO8)c(Cl)c6)cc5)CC4)ncnc32)c1,CCNWPLDXHNFMIG-UHFFFAOYSA-N
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-rxn:4:222580:204114,O=C(c1ccc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)o1)N1CCCN(C2CCSCC2)CC1,YMOYZLXJPVIVEP-UHFFFAOYSA-N
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-rxn:4:223071:207854,CCS(=O)(=O)NCc1ccc(-c2ccc3c(c2)CCN3C2CCN(C3CCC3)CC2)cc1,PPIHAACBZRHJKS-UHFFFAOYSA-N
-rxn:4:223080:184883,CC(C)NS(=O)(=O)c1ccc(-c2cc(/C=N/S(=O)C(C)(C)C)ccc2OC(F)(F)F)cc1,AHFLHDJAWSQXJD-DHRITJCHSA-N
-rxn:4:223092:213910,CN(C)S(=O)(=O)Nc1cccc(-c2cccnc2OC2CCN(S(=O)(=O)N3CCOCC3)C2)c1,IPOHWQWCAGGXIE-UHFFFAOYSA-N
-rxn:4:223102:185025,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1,VWAATDJELQBWHN-UHFFFAOYSA-N
-rxn:4:223102:185163,CC(C)(C)NS(=O)(=O)c1sccc1-c1cc(C2CN(C(=O)OC(C)(C)C)C2)cc(C(F)(F)F)c1,QMJLTYYYOWNYIS-UHFFFAOYSA-N
-rxn:4:223102:187220,CC(C)(C)NS(=O)(=O)c1sccc1-c1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1F,ZEURPDRXBRFRJF-UHFFFAOYSA-N
-rxn:4:223481:176323,CC(C)(C)c1ccc(-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5ccc(S(=O)(=O)N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5F)cc43)c2)cc1,CEBRSYAECMBARB-UHFFFAOYSA-N
-rxn:4:223481:194466,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cccc4c3ccn4Cc3ccccc3F)c(F)c2)CC1,UCBRZXCITVJREJ-UHFFFAOYSA-N
-rxn:4:223481:197272,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3cncc4c(C(F)(F)F)cccc34)c(F)c2)CC1,YSUPHNVTCMYXPT-UHFFFAOYSA-N
-rxn:4:223481:198828,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccnc4c(F)cc(F)cc34)c(F)c2)CC1,IEGVROJSYHLIED-UHFFFAOYSA-N
-rxn:4:223521:194304,CC(c1cccc(-c2ccc3c(C(=O)C4CC4)c[nH]c3c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,NFYFRRQFWZONNQ-UHFFFAOYSA-N
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-rxn:4:223570:185112,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(-c4ccc(C(F)(F)F)cc4)n(C(=O)OC(C)(C)C)c3)c(F)ncc21,DOCSPSNWCAJQBX-UHFFFAOYSA-N
-rxn:4:223570:199857,Cc1ccc(Sc2c(C)nn(C(C)(C)C)c2OC(=O)c2cccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)cc1,FTZOHOJMELYLEX-UHFFFAOYSA-N
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-rxn:4:223761:187970,CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)c2ccccc21,KMTQAYAAVTZSKJ-UHFFFAOYSA-N
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-rxn:5:177186:225655:222980,CCOC(=O)c1cc(-c2ccc(CN3CCNCC3)cc2)c(-c2cncc(N3CCC(C)CC3)c2)cc1C,MSYPSQYHOMUBLN-UHFFFAOYSA-N
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-rxn:5:177191:225603:223008,N#CC1(c2cccc(-c3cc(-c4cc(C5CCNCC5)ccc4F)ccc3CC(=O)C3CC3)c2F)CCC1,OHDMHLUUOMCKRL-UHFFFAOYSA-N
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-rxn:5:177373:227804:225499,O=[N+]([O-])c1cc(-c2cc(-c3ccc(C4CCCCC4)cc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,KEWQGVFHURWHSG-UHFFFAOYSA-N
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-rxn:5:177730:223139:225438,CC(c1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,GRGFVIANKBBKFO-UHFFFAOYSA-N
-rxn:5:177731:225607:223281,CC(c1ccc(-c2cc(-c3ccc(C4(O)COC4)nc3)ccc2C(=O)OC(C)(C)C)s1)N1CCCCC1,VMYOAMMURGVNNR-UHFFFAOYSA-N
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-rxn:5:177739:225439:223132,CC(c1cccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2cccc(N3CCNCC3)c2)c1)N1CCCC1,PTIZBGPEAMKCQF-UHFFFAOYSA-N
-rxn:5:177739:226330:226679,CC(c1ccc(-c2cccc(C(=O)OC(C)(C)C)c2-c2cnc(N3CCCC3)cc2F)s1)N1CCCC1,BUFDJORGJQCZJJ-UHFFFAOYSA-N
-rxn:5:177739:226649:223054,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2cccnc2N2CCOCC2)s1)N1CCC(O)C1,KAJQBJHYHDLXPY-UHFFFAOYSA-N
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-rxn:5:177891:223135:223312,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CNC2)cc1)c1ccccc1-c1cccnc1C1CCCNC1,PENGUVWHYCZMJP-UHFFFAOYSA-N
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-rxn:5:177891:226649:227626,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOC2)nc1)c1ccccc1-c1cccnc1N1CCOCC1,ZGZZFYAVXBRJAO-UHFFFAOYSA-N
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-rxn:5:177891:226662:226645,CN1CCN(c2ccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3ccnc(N4CCOCC4)c3)s2)CC1,VBNILKQLVBAENW-UHFFFAOYSA-N
-rxn:5:177891:226665:225603,N#CC1(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cnc(C4CCCOC4)nc3)c2F)CCC1,ZSOKNYSWIJPCIT-UHFFFAOYSA-N
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-rxn:5:177891:227379:227517,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2COC2)nc1)c1ccccc1-c1cccnc1N1CCCC1,PIAHXLDBKMTXBY-UHFFFAOYSA-N
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-rxn:5:177891:227501:222981,O=C(SC1CS(=O)(=O)CC1c1ccnc(NC2CCCCC2)c1)c1ccccc1-c1ccc(C=C[N+](=O)[O-])cc1,FYKBCAIVXPNJKU-UHFFFAOYSA-N
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-rxn:5:177891:228016:226446,Cc1nc(C2CCOC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cc(C2CCCC2)cs1,WABYVZRJUMUWFU-UHFFFAOYSA-N
-rxn:5:177891:228879:225943,O=C(SC1CS(=O)(=O)CC1c1ccc(C(=O)N2CCOCC2)s1)c1ccccc1-c1ccnn1C1COC1,WMDALABYOXGQDN-UHFFFAOYSA-N
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-rxn:5:178295:223002:228759,COC(=O)C1(c2cc(-c3ccc(C(C)=O)nc3)ccc2-c2ccc(C3CCNCC3)cc2F)CCC(=O)CC1,VDERDJQTTSLCLJ-UHFFFAOYSA-N
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-rxn:5:178295:227045:227813,CCc1cccc(CC)c1-c1ccc(-c2cccc(SC(C)(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,WGPOOHDLKGYRTA-UHFFFAOYSA-N
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-rxn:5:178295:228974:227517,COC(=O)C1(c2cc(-c3ccc(OC4COC4)nc3)ccc2-c2cnn(S(C)(=O)=O)c2)CCC(=O)CC1,NMPKAQSIBVJEOE-UHFFFAOYSA-N
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-rxn:5:178313:226064:226189,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCC3)cc2)c(-c2ccc(C3CCCC3)c(F)c2)c1,GWNVEJDSVSRNSV-UHFFFAOYSA-N
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-rxn:5:178314:227045:225498,CC(C)(C)Sc1cccc(-c2ccc(-c3cc(C4CCCCC4)ccc3F)c(O[Si](C)(C)C(C)(C)C)c2)c1,YOXPAPVMUJRHJV-UHFFFAOYSA-N
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-rxn:5:178315:225453:227030,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(SC3CCCCC3)c2)cc(-c2ccc(C#N)cc2C2CC2)c1,JCFKBLHKGQDVGI-UHFFFAOYSA-N
-rxn:5:178315:225499:227066,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C(=O)C3CC3)c2)cc(-c2ccc(C3CCCCC3)cc2F)c1,TUOKQVDUHOEHJU-UHFFFAOYSA-N
-rxn:5:178315:226060:225450,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C(=O)C3CCCC3)cc2)cc(-c2cc(C3CC3)cc(C3CC3)c2)c1,JDRFAYVKNOJNNS-UHFFFAOYSA-N
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-rxn:5:178467:228097:225794,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCCCC4)nc3)cc(-c3cncc(CN(C)C)c3)c2OC1,VYGXZTJYBRJXMR-UHFFFAOYSA-N
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-rxn:5:178467:228974:225684,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCOCC4)nc3C)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,DZEZOEIPTYMLKY-UHFFFAOYSA-N
-rxn:5:178467:228974:225803,CCOC(=O)C1=Cc2cc(-c3ccnc(OC4CCOCC4)c3)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,MHYNSGAIPKDKKT-UHFFFAOYSA-N
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-rxn:5:179396:225805:225465,CC(c1ccc(-c2ccc(C(=O)C3CC3)c(-c3cccc(C4CCN(C)CC4)c3)c2)s1)N1CCOCC1,HQJWIBGJFWJDEF-UHFFFAOYSA-N
-rxn:5:180267:225937:225925,CSc1cc(C(C)(C)C)cc(-c2cc(C(F)(F)F)ncc2C(C)C)c1-c1cc(S(=O)(=O)N(C)C)ccc1C,OPOUPKWZAWAOHT-UHFFFAOYSA-N
-rxn:5:180421:226179:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(CC2CCCCC2)cc1-c1cncc(C2CCCCC2)c1,LIZLNDJXYVZWCX-UHFFFAOYSA-N
-rxn:5:180422:226164:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CC2CCCCC2)ccc1-c1ccc(N2CCCCC2)cc1,KQNOVZHRDXASGK-UHFFFAOYSA-N
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-rxn:5:180662:226181:225441,COC(=O)C1=Cc2cc(-c3cc(C4CC4)cnc3C(C)(C)C)cc(-c3ccc(C4=CCCCC4)nc3)c2OC1,UUAASNTYQZFGSW-UHFFFAOYSA-N
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-rxn:5:181904:226686:222960,Cc1cc(-c2c(-c3c(C)cnn3C3CCCCO3)ccc(C3OCCO3)c2C)cc(C2CCNCC2)c1,FXTHRHVINKPKFW-UHFFFAOYSA-N
-rxn:5:181906:225832:227684,Cc1ccc(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1-c1cnn(CC2OCCO2)c1,WZFZBQQITJUQSI-UHFFFAOYSA-N
-rxn:5:181907:225407:226426,Cc1cc(-c2ccc(C3CCCCCC3)cc2)c(-c2ccc(N3CCC(C)CC3)s2)c(C2OCCO2)c1,QCQBYZCJHNJHQA-UHFFFAOYSA-N
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-rxn:5:181908:222956:225438,Cc1ccc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(C(C)N3CCCC3)cc2)c(C2CCCNC2)c1,PUDQMWDEGAMFNV-UHFFFAOYSA-N
-rxn:5:181908:222957:222985,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(C3CCCNC3)nc2C)cc(C2CCCNC2)c1,VGZTXVIVBZWNEO-UHFFFAOYSA-N
-rxn:5:181908:225832:226374,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2cncnc2C2CCCCC2)cc1C1OCCO1,ZJTHOKILSDNPKG-UHFFFAOYSA-N
-rxn:5:182010:225816:226426,CC1CCN(c2ccc(-c3ccc(C4CCOCC4)c(-c4cc(C5CC5)ccc4C(F)(F)F)c3)s2)CC1,IEJXMJGCKAWWLJ-UHFFFAOYSA-N
-rxn:5:182011:223146:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCOCC2)ccc1-c1cccc(C2CNCCO2)c1,USESTJQKIWYTLF-UHFFFAOYSA-N
-rxn:5:182013:225832:223142,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccc(C3CCCNC3)nc2)c(C2CCOCC2)c1,XPRGEUJERXSZAL-UHFFFAOYSA-N
-rxn:5:183190:225924:225824,Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cc(-c2cc(C3CC3)cc(C(F)(F)F)c2)cc2c1CC(C)(C)C2=O,HEZJDBKOZMOYDI-UHFFFAOYSA-N
-rxn:5:183228:222987:225445,Cc1nc(C2CCNCC2)ccc1-c1cc2c(c(-c3ccccc3OC3CCCCC3)c1)OC(C)(C)CC2,LDNULUFGSYKZDS-UHFFFAOYSA-N
-rxn:5:188458:223137:223002,COC(=O)c1cc(-c2ccc(C3CCNCC3)cc2F)c(-c2cncc(C3CCCNC3)c2)cc1[N+](=O)[O-],HMBSMMUCMBKKCB-UHFFFAOYSA-N
-rxn:5:188930:223199:223002,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(C3CCNC3)c2)cc1-c1ccc(C2CCNCC2)cc1F,XPNSBNFLTQZHOZ-UHFFFAOYSA-N
-rxn:5:188930:226174:226432,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(C3CCCCC3)nc2)cc1-c1ccc(C2CCCC2)nc1F,DRRGLFVHTVSGKU-UHFFFAOYSA-N
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-rxn:5:188930:226182:226438,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCCC2)cc1-c1cnc(C2CCCC2)cc1F,PZFXZNLVTRMJRN-UHFFFAOYSA-N
-rxn:5:188930:227093:225674,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCC2)cc1-c1cnc(C2CCCCC2)cc1F,NBEIGODFWKFJPQ-UHFFFAOYSA-N
-rxn:5:188931:228211:225605,COC(=O)c1cc(-c2cc(N3CCCC3)cs2)cc(S(N)(=O)=O)c1-c1cc(C)cnc1OC1CCCC1,GYUGVMSAIIYDSX-UHFFFAOYSA-N
-rxn:5:189207:227079:227197,CC(C)Cc1ccc(F)c(-c2ccc(-c3ccc4c(c3)C(=O)N(C)C4)c(C(=O)ON3C(=O)CCC3=O)c2)c1,MEDYNXLZPCSNGH-UHFFFAOYSA-N
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-rxn:5:189209:226320:228879,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4ccnn4C4COC4)c3)c2)CC1,OBUIUJFWPMVTKS-UHFFFAOYSA-N
-rxn:5:189209:227084:226927,Cc1nc(C(C)(C)C)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2c(C)c(C)c(C)c(C)c2C)c1,GUJOFJZMNYHYFW-UHFFFAOYSA-N
-rxn:5:189209:227336:223062,CC(C)Oc1cc(F)ccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cnc(C3CCNCC3)cc2F)c1,CLRSEUCUFQGXEA-UHFFFAOYSA-N
-rxn:5:189210:225601:227931,N#CC1(c2ccc(-c3cccc(-c4ccccc4OC4CC4)c3C(=O)ON3C(=O)CCC3=O)c(F)c2)CCC1,ZTQHGSZOXFNJOL-UHFFFAOYSA-N
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-rxn:5:189210:227026:227408,N#Cc1ccc(-c2cccc(-c3cc(C4CCC4)ncc3F)c2C(=O)ON2C(=O)CCC2=O)cc1C1CC1,RPGMNZTUORMCPX-UHFFFAOYSA-N
-rxn:5:189212:223006:223112,CC(C)c1ccc2[nH]ncc2c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccc(F)c(C2CCNCC2)c1,RNLFOCHVPCNADI-UHFFFAOYSA-N
-rxn:5:189212:225602:229085,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3scnc3C3CC3)c2)CCC1,UISBDWRVLDKATQ-UHFFFAOYSA-N
-rxn:5:189212:225833:223112,CC(C)c1ccc2[nH]ncc2c1-c1ccc(C(=O)ON2C(=O)CCC2=O)cc1-c1ccnc(N2CCCCC2)c1F,OHLXZTHXMTYVSN-UHFFFAOYSA-N
-rxn:5:189320:223054:227654,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cnc2-c2ccc(C3OCCO3)nc2)s1)N1CCC(O)C1,PQCDDJHFQKIFML-UHFFFAOYSA-N
-rxn:5:189320:225611:226030,COc1cc(N2CCCC2)ccc1-c1cc(C(=O)OC(C)(C)C)cnc1-c1cc(F)c(OC)c(C(F)(F)F)c1,AGHCURDLJMYBOA-UHFFFAOYSA-N
-rxn:5:189334:225940:226328,CC(C)(C)OC(=O)c1ncc(-c2cc(C(F)(F)F)cnc2C2CC2)cc1-c1ccc(C(C)(C)C#N)c(F)c1,LSBRJLPTMCPMOF-UHFFFAOYSA-N
-rxn:5:189336:226768:225449,CSc1ccc(-c2ccc(C(=O)N(C)C3CC3)cc2-c2cccc(OC3CCCCC3)c2)cc1C(F)(F)F,NVCQAACMSOYLTM-UHFFFAOYSA-N
-rxn:5:189449:228211:223062,COC1CN(C(=O)c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2-c2cc(N3CCCC3)cs2)C1,QVAQODSNFDLSFU-UHFFFAOYSA-N
-rxn:5:189512:223054:223063,CC(c1ccc(-c2ccc([N+](=O)[O-])c(S(=O)(=O)c3cccc(-c4cc(F)nc(C5CCNCC5)c4)c3)c2)s1)N1CCC(O)C1,BOQJAXMRQJNOEK-UHFFFAOYSA-N
-rxn:5:189672:227375:226047,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(N3CCCC3)nc2)c1-c1ccc(OC(F)(F)F)c(F)c1F,CKSIUKPZQNCACI-AABVJFSESA-N
-rxn:5:189826:226328:225931,Cc1cc(-c2ccc(CC(=O)N3CCOCC3)c(-c3ccc(C(C)(C)C#N)c(F)c3)c2)cc(S(=O)(=O)N(C)C)c1,ZWPTWDHSXPLKDL-UHFFFAOYSA-N
-rxn:5:189909:223064:227020,Fc1nc(C2CCNCC2)ccc1-c1ccc(-c2cncc(C#CC3CC3)c2)cc1CCN1CCOCC1,KGRFWESGCACRIW-UHFFFAOYSA-N
-rxn:5:189909:225655:223113,CC1CCN(c2cncc(-c3ccc(-c4ccc5c(c4)C(C)(C)C(=O)N5)cc3CCN3CCOCC3)c2)CC1,TUGSBCZALJIFND-UHFFFAOYSA-N
-rxn:5:189910:227379:225982,Fc1cc(N2CCOCC2)ncc1-c1ccc(-c2cccnc2N2CCCC2)cc1CCN1CCOCC1,MNOYOHUOKFTWJK-UHFFFAOYSA-N
-rxn:5:189952:226644:225976,COc1c(-c2cncc(N3CCOCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,BGIAMCOXYZZTGF-UHFFFAOYSA-N
-rxn:5:189952:227316:226645,COc1c(-c2cc(F)nc(CC(C)C)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1,UDDFGVZIQDHFRN-UHFFFAOYSA-N
-rxn:5:190001:225677:227568,COc1cc(F)c(-c2ccc(CC(=O)N3CCCCC3)cc2-c2ccc(C3CCCCC3)nc2F)c(OC)c1,NSSRPMFJSPLVIZ-UHFFFAOYSA-N
-rxn:5:190001:226064:227029,CC(C)(C#N)c1ccccc1-c1ccc(CC(=O)N2CCCCC2)cc1-c1ccc(C2CCCCC2)cc1,KLSHMCKWMJUPMO-UHFFFAOYSA-N
-rxn:5:190127:227052:227587,COc1cc(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C(=O)N2CCC(OC)CC2)cc(F)c1OC,GYVSDTMLBQTEJW-UHFFFAOYSA-N
-rxn:5:190128:227508:222413,COC(=O)c1cc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(S(N)(=O)=O)cc2C)cc(C)n1,UBYFFBZWHOMQRX-UHFFFAOYSA-N
-rxn:5:190128:228126:225451,COc1ccc(-c2ccc(C(=O)N3CCC(OC)CC3)cc2-c2ccc(SC3CCCCC3)cc2)c(C#N)c1,RCZNUXSDJNAZRS-UHFFFAOYSA-N
-rxn:5:190131:228178:226146,COCc1ccc(F)c(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(SC4CCCC4)cc3)c2OC)c1,LCYHUEGSYCTVHC-UHFFFAOYSA-N
-rxn:5:190132:227357:227764,CCC(=O)c1cc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3cc(F)c(C(F)F)c(F)c3)c2)ccc1F,WQUMARGROLUCFZ-UHFFFAOYSA-N
-rxn:5:190196:225618:227934,CCOc1ccc(C)c(-c2cc(-c3cccc(OC4CCCCO4)c3)ccc2CN(C)C2CCOCC2)c1,SIGJLZAMPPFSNK-UHFFFAOYSA-N
-rxn:5:190196:225803:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(-c2ccnc(OC3CCOCC3)c2)ccc1CN(C)C1CCOCC1,BUWQQQFQFQBJBE-UHFFFAOYSA-N
-rxn:5:190196:228417:225641,CC1CCCN(c2cc(-c3cc(-c4ccc(F)c(C(F)F)c4)ccc3CN(C)C3CCOCC3)ccn2)C1,XRRONYIPOWVWOQ-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:5:190198:227826:225598,CN(Cc1c(-c2cccc(CN3CCSCC3)c2)cccc1-c1cccc(C(C)(C)C)c1)C1CCOCC1,JINDWYVRDLCQGY-UHFFFAOYSA-N
-rxn:5:190199:226588:223113,CN(Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1-c1cc(OC2CCC2)ncc1F)C1CCOCC1,LFBAHOSGFJZQRR-UHFFFAOYSA-N
-rxn:5:190199:226752:227377,COc1c(-c2ccc(-c3cncnc3C3CCCC3)cc2CN(C)C2CCOCC2)cccc1C(F)(F)F,OVIJJTPGSLXFCG-UHFFFAOYSA-N
-rxn:5:190201:223061:223113,CC1CN(CCc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCO1,XGLWULKUNYCCAB-UHFFFAOYSA-N
-rxn:5:190231:223062:222417,COc1c(-c2cnc(C3CCNCC3)cc2F)cc(C(=O)N2CCOC(C)C2)cc1-c1cnc(=O)[nH]c1C(C)C,WHGMFEANTDVSEC-UHFFFAOYSA-N
-rxn:5:190265:227540:226911,CCc1cc(C)cc(CC)c1-c1ccc(CC(=O)N2CCCC(C)C2)cc1-c1cc(SC)cc(F)c1OC,IYZKIDGLPQHMPS-UHFFFAOYSA-N
-rxn:5:190309:227710:223062,CC1CCCCN1CCc1cc(-c2ccc(OS(C)(=O)=O)cc2)ccc1-c1cnc(C2CCNCC2)cc1F,CFSBFJARZBIVNF-UHFFFAOYSA-N
-rxn:5:190404:222993:226346,Cc1cc(OC(C)C)c(F)c(-c2ccccc2C2CCN(C(=O)c3ccc(-c4cccc(N5CCCCC5O)c4)o3)CCS2)c1,QRVNYGBCLJCDSV-UHFFFAOYSA-N
-rxn:5:190484:225395:226325,CC(C)(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C(C)(C)C#N)cc4F)S(=O)(=O)CC3)c2)cc(C2CC2)c1,GQOQJMATSPBUBF-UHFFFAOYSA-N
-rxn:5:190484:226589:226710,CC(C)c1cnc(C(F)F)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3ccc(F)c([Si](C)(C)C)c3F)S(=O)(=O)CC2)c1,KKHHDAYSXJIJSR-UHFFFAOYSA-N
-rxn:5:190484:227311:226710,CCC(C)c1cc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(F)c([Si](C)(C)C)c4F)S(=O)(=O)CC3)c2)cn1,CCJAUMQMHZKRML-UHFFFAOYSA-N
-rxn:5:190484:227501:223240,O=C(c1cccc(-c2ccc(C=C[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccc(C3CCNC3)nc2)S(=O)(=O)CC1,DJNDDAFCTNNNRL-UHFFFAOYSA-N
-rxn:5:190484:227505:223240,O=C(c1cccc(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1)N1CCC(c2ccccc2-c2ccc(C3CCNC3)nc2)S(=O)(=O)CC1,DJNDDAFCTNNNRL-XDJHFCHBSA-N
-rxn:5:190484:227810:227315,CCC(C)c1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(CC(C)C)cc4F)S(=O)(=O)CC3)c2)cc1,URTXZEAPZFJQBM-UHFFFAOYSA-N
-rxn:5:190680:226883:225656,CC(=O)Oc1cn(C(C)=O)c2ccc(-c3c(F)ccc(C(F)(F)F)c3F)c(-c3cncc(N4CCCCC4C)c3)c12,UOWLKRIUJWAPCU-UHFFFAOYSA-N
-rxn:5:190711:225978:226661,CCOC(=O)c1c(-c2cc(N3CCN(C)CC3)cs2)c2cc(-c3ccc(N4CCOCC4)nc3F)ccc2n1C,XXVVJSOBWMGWLN-UHFFFAOYSA-N
-rxn:5:190740:223056:225980,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCC(O)CC4)nc3)cc2c1-c1cc(N2CCOCC2)ncc1F,MCYJJBOPFNRMFH-UHFFFAOYSA-N
-rxn:5:190740:223061:225607,CCOC(=O)c1cnc2c(C)cc(-c3cc(C4CCNCC4)ncc3F)cc2c1-c1ccc(C(C)N2CCCCC2)s1,WIDPQDIAVCURDP-UHFFFAOYSA-N
-rxn:5:190740:223064:223064,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1ccc(C2CCNCC2)nc1F,FUZMKZSVUZWQSV-UHFFFAOYSA-N
-rxn:5:190740:223064:225849,CCOC(=O)c1cnc2c(C)cc(-c3ccc(C4CCNCC4)nc3F)cc2c1-c1cnc(N2CCCCC2)cc1F,JAZZGALISSMBPW-UHFFFAOYSA-N
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-rxn:5:190740:225982:223056,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccc(N2CCC(O)CC2)nc1,QKTMFPOSHVQQQP-UHFFFAOYSA-N
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-rxn:5:190741:225802:223063,CCOC(=O)c1cnc2c(-c3ccc(OC4CCCC4)nc3F)cc(C)cc2c1-c1cc(F)nc(C2CCNCC2)c1,VMRFHZLHHODKDZ-UHFFFAOYSA-N
-rxn:5:190741:225834:223064,CCOC(=O)c1cnc2c(-c3cc(N4CCCCC4)ncc3F)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,XKYMQVXSRNHMIB-UHFFFAOYSA-N
-rxn:5:190741:225849:223062,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,VSHWBGCXGGPZDX-UHFFFAOYSA-N
-rxn:5:190741:225849:223064,CCOC(=O)c1cnc2c(-c3cnc(N4CCCCC4)cc3F)cc(C)cc2c1-c1ccc(C2CCNCC2)nc1F,ZOYFLNRHVGFSCZ-UHFFFAOYSA-N
-rxn:5:190741:225976:225834,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1cc(N2CCCCC2)ncc1F,KUVAUYJLUSUGON-UHFFFAOYSA-N
-rxn:5:190741:226424:225849,CCOC(=O)c1cnc2c(-c3cc(N4CCCC(C)C4)cs3)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,DPXMEDVIPHNHTK-UHFFFAOYSA-N
-rxn:5:190741:226429:225849,CCOC(=O)c1cnc2c(-c3ccc(N4CCCC(C)C4)s3)cc(C)cc2c1-c1cnc(N2CCCCC2)cc1F,ZTWKWSMQMAMHNY-UHFFFAOYSA-N
-rxn:5:190742:223002:222991,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)cc3F)c2c1-c1ccc(N2CCCC(O)C2)cc1,WNQOPOHINCGINT-UHFFFAOYSA-N
-rxn:5:190742:223062:223062,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(C4CCNCC4)cc3F)c2c1-c1cnc(C2CCNCC2)cc1F,LEDDVDIWKDXTFA-UHFFFAOYSA-N
-rxn:5:190742:223064:225833,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(C4CCNCC4)nc3F)c2c1-c1ccnc(N2CCCCC2)c1F,SYXHRHGTYLJQGW-UHFFFAOYSA-N
-rxn:5:190742:223065:225598,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCNCC4)cc3F)c2c1-c1cccc(CN2CCSCC2)c1,PUYUGBSTDXSTHB-UHFFFAOYSA-N
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-rxn:5:190742:225592:225591,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)ccc3CN3CCCC3)c2c1-c1cc(CN2CCCC2)ccc1F,QZNYTDKEQIVTDK-UHFFFAOYSA-N
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-rxn:5:193054:226779:225585,O=C(c1cccc(-c2ccc(C(=O)C(F)(F)F)cc2)c1-c1ccccc1CN1CCOCC1)N1CCCC1,LVBWGHUANNLZIX-UHFFFAOYSA-N
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-rxn:5:193459:223132:227279,CC(C)n1nc(C2CC2)cc1-c1cc(C(=O)N2CCCCC2)cc(-c2cccc(N3CCNCC3)c2)c1,XVPKMWZSKPBNFB-UHFFFAOYSA-N
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-rxn:5:193681:223008:227710,CN1CCC(Oc2cc(-c3cc(C4CCNCC4)ccc3F)ccc2-c2ccc(OS(C)(=O)=O)cc2)CC1,LERSZOVKEAZUDU-UHFFFAOYSA-N
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-rxn:5:193681:227710:223007,CN1CCC(Oc2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2-c2cc(F)cc(C3CCNCC3)c2)CC1,BQBNPKQDQPJBEG-UHFFFAOYSA-N
-rxn:5:193681:227710:225881,CN1CCC(Oc2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2-c2ccc(C3CCOCC3)nc2F)CC1,UMJMIEWHOFFWSM-UHFFFAOYSA-N
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-rxn:5:193808:227710:223001,CC1CCN(Cc2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2-c2cc(C3CCCNC3)ccc2F)CC1,LYDJFOXUIGPYOH-UHFFFAOYSA-N
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-rxn:4:176313:223474,CC1Oc2ccccc2C=C1C=C1Oc2cc(OCc3ccc(-c4ccc(OCc5ccccc5)c(C56CC7CC(CC(C7)C5)C6)c4)cc3)ccc2C1=O,GLVAMXHPYSUSGD-UHFFFAOYSA-N
-rxn:4:176317:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(OCC(F)(F)F)c(C34CC5CC(CC(C5)C3)C4)c2)cc1,VAZAUFVMXQMULN-UHFFFAOYSA-N
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-rxn:4:178384:228787,COc1cc(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1,NSJTZYKUTNDWHY-UHFFFAOYSA-N
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-rxn:4:178489:223559,COC(=O)C12CC(c3ccc(-c4ccc5c(c4)C(C)=CC(C)(C)N5C(=O)OC(C)(C)C)cc3)(C1)C2,VTORLUNRKAWRMX-UHFFFAOYSA-N
-rxn:4:178597:228582,CC(C)c1ccncc1-c1ccc(OC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,ITKRJWMGVLEHRB-UHFFFAOYSA-N
-rxn:4:178737:223588,Cc1cc(-c2ccc(Cl)cc2C(=O)C(F)F)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,NUBHZPADKKGNLH-UHFFFAOYSA-N
-rxn:4:178836:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccc(C(F)(F)CF)cc3)c2)CC1,XIYCWLRXNWXZOI-UHFFFAOYSA-N
-rxn:4:179806:223491,CC(c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc1)S(C)(=O)=O,QBKCPPLVQBJKSH-UHFFFAOYSA-N
-rxn:4:179818:223598,Fc1cc(-c2ccc(CC3OCCO3)cc2)ccc1OCCN1CCC2(CC1)OCCO2,WCJCWUTXUGQZCJ-UHFFFAOYSA-N
-rxn:4:179834:223594,CC(=O)[C@H]1C[C@@H]1c1cccc(-c2cc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,VIGFDVIGVDELAH-DNQXCXABSA-N
-rxn:4:180332:223559,CC(=O)c1ccc(C(C)(C)C)c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)c1,XKBGRKIQCPACAA-UHFFFAOYSA-N
-rxn:4:180376:223521,CC(C)c1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C(C)C)c1,LNBPBSDTEDDFKV-UHFFFAOYSA-N
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-rxn:4:180943:223481,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3C(F)F)c(F)c2)CC1,PKINUULXNKLLAD-UHFFFAOYSA-N
-rxn:4:181595:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccccc2C2OCCO2)CC1,VHGGKLSCIGEXEI-UHFFFAOYSA-N
-rxn:4:181605:223497,Cc1cc(C(F)F)c(C)cc1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,KOBZHDCOPVYPSC-UHFFFAOYSA-N
-rxn:4:182261:223606,COc1ccc2c(c1-c1ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c1)CCCO2,GSJCAFRDOPIAPC-UHFFFAOYSA-N
-rxn:4:183194:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc3c(c2)OC2(CSC2)CC3=O)CC1,UPXCAJVOXJUVNN-UHFFFAOYSA-N
-rxn:4:183218:223489,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)C(F)C(C)(C)S4(=O)=O)cc2)CC1,FVEMVOGOTKLNJO-UHFFFAOYSA-N
-rxn:4:183270:223581,COC(=O)c1cccc2cc(-c3cc4c(cc3C)C(C)(C)CCC4(C)C)n(C(=O)OC(C)(C)C)c12,WQKHJYGCRRSMHX-UHFFFAOYSA-N
-rxn:4:183273:225448,Cc1ccc(OC2CCCC2)c(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c1,DMHBXPRONBDRGF-UHFFFAOYSA-N
-rxn:4:183273:226780,COc1c(F)cc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)c(OC)c1Cl,FKRKMARKCWDJOT-UHFFFAOYSA-N
-rxn:4:183273:229115,Cc1ncc(F)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,YWSGLBRCBZZYIH-UHFFFAOYSA-N
-rxn:4:183273:229306,Cc1cnc(-c2ccc3c(c2)OCCOCCOCCOCCOCCOCCO3)s1,AXLUXJHKDVKMFS-UHFFFAOYSA-N
-rxn:4:183274:228780,COc1c(F)cccc1-c1ccc2c(c1)OCCOCCOCCOCCOCCOCCOCCO2,BVOKWLYMVIILQR-UHFFFAOYSA-N
-rxn:4:183379:224420,Cc1cc2c(cc1-c1cc3c(c4c1OC(C)(C)C=C4)OC(C)(C)OC3=O)C(C)(C)CCC2(C)C,UCGIQDGFIHTZFV-UHFFFAOYSA-N
-rxn:4:183520:224372,CCOC(=O)Cc1c(-c2cc(C(=O)N3CCCC3)cc([N+](=O)[O-])c2)cc(C#N)cc1C(F)(F)F,NMUNNVPFYHOZJM-UHFFFAOYSA-N
-rxn:4:183541:225384,CCOC(=O)Cc1cc(-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)cc(C#N)c1C(F)(F)F,CRZCCQOYYMIIIF-UHFFFAOYSA-N
-rxn:4:183645:224655,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(OCC(F)F)c2)c(F)c1,DLGHSNUATAFCGB-UHFFFAOYSA-N
-rxn:4:183722:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2cccc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c2)c1,KVDKDRLUJDWZRE-UHFFFAOYSA-N
-rxn:4:183749:222940,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2OCCN2CCOCC2)c1,GJUFTJYKBIILSP-UHFFFAOYSA-N
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-rxn:4:183793:223750,CN(CCc1ccc(-c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)c(F)c1)C(=O)OC(C)(C)C,YSRYSVTYNPTJCT-UHFFFAOYSA-N
-rxn:4:183827:222945,CC(C)NS(=O)(=O)c1ccc(-c2c(Cl)cccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1F,MJJAGYXMYRXTPJ-UHFFFAOYSA-N
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-rxn:4:183876:223101,CNS(=O)(=O)c1cc(-c2cc(Cl)ccc2OCC2CN(C(=O)OC(C)(C)C)C2)ccc1OC,VSMNPDBLRALQPW-UHFFFAOYSA-N
-rxn:4:183880:224588,CC1CCN(Cc2cc(F)cc(-c3ccc(OCC4CN(C(=O)OC(C)(C)C)C4)c(F)c3)c2)CC1,FQWSIOYUIYGEKP-UHFFFAOYSA-N
-rxn:4:183885:222853,OC1CCN(Cc2ccc(-c3ccccc3OCCCN3CCCC(C(F)(F)F)C3)cc2)CC1,BQFXSECKSHNYSM-UHFFFAOYSA-N
-rxn:4:183893:223045,CC(C)NC(=O)c1ccc(F)c(-c2cccc(F)c2OCCCN2CCCC(C(F)(F)F)C2)c1,CHTBUKBXQXNPIH-UHFFFAOYSA-N
-rxn:4:183900:223079,CC(C)NS(=O)(=O)c1cccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C(C)C)c1,VZKFTDQRUSFTDK-UHFFFAOYSA-N
-rxn:4:183902:223100,CNS(=O)(=O)c1ccc(OC)c(-c2cccc(F)c2OCCCN2CCC(OC)CC2)c1,KJHICSYQSPADFD-UHFFFAOYSA-N
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-rxn:4:185589:227676,COc1ccc(-c2cc(C)c(Cl)c(OC)c2F)cc1C=C1Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O,JTNXKBIEYUEDTR-UHFFFAOYSA-N
-rxn:4:185625:223904,CC1CN(CCOc2ccc3c(=O)c(-c4ccc(-c5cccc(C6CN(C(=O)OC(C)(C)C)C6)c5)cc4)coc3c2)CC(C)O1,KUOCSGGWGHQYDY-UHFFFAOYSA-N
-rxn:4:186264:223696,COc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cnc1OCC1CC1,RDHCLHUIFCUIDC-UHFFFAOYSA-N
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-rxn:4:187120:225201,COC(=O)C1CCCCN1C(=O)c1cccc(-c2ccc(OC3CCCC3)c(F)c2F)c1,PXABTIWESFUFMB-UHFFFAOYSA-N
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-rxn:4:187191:224426,CCCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc1,MGLCJELPZXOGPC-UHFFFAOYSA-N
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-rxn:4:187281:223754,CC1CCN(CCCOc2ccc(-c3cccc(OCCN4CCC(C)CC4)c3)cc2Cl)CC1,JEGAWNLKIIVDBE-UHFFFAOYSA-N
-rxn:4:187312:222583,CC1CCN(CCOc2c(F)cc(Cl)cc2-c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1,PLTYFCJXBKBWBC-UHFFFAOYSA-N
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-rxn:4:187968:224322,CC1CCN(S(=O)(=O)c2ccc(-c3ccc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c3)cc2)CC1,OOGOIUDHFFLVKE-UHFFFAOYSA-N
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-rxn:4:190203:223823,CN(Cc1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(F)c1)C1CCOCC1,SFLYMNJRZSRMBI-UHFFFAOYSA-N
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-rxn:4:190330:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4CCCN4S(=O)(=O)C(C)C)cc3)c(F)ncc21,ZYDVBDHJNARQFI-UHFFFAOYSA-N
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-rxn:4:190342:224731,CC(c1ccccc1-c1cccc(S(=O)(=O)OCC(C)(C)C)c1)N1CCCC(C(F)(F)F)C1,ZCWUEDBNLKZVQF-UHFFFAOYSA-N
-rxn:4:190351:224770,Cc1cc(-c2ccc(CC(=O)N3CCC4(CC3)CC4(F)F)cc2)cc(S(=O)(=O)N2CCCC2)c1,UXAUHHXQIOUBHX-UHFFFAOYSA-N
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-rxn:4:190377:223892,COc1ccc(-c2ccc(OCCCN3CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,QQQSPMAJSBXLOX-UHFFFAOYSA-N
-rxn:4:190397:226119,Cc1ccc(OCC2CC2)c(-c2ccc(C(=O)CN3C(=O)CC4(CCCC4)C3=O)cc2)c1,XXSRTSNJWJBSJF-UHFFFAOYSA-N
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-rxn:4:190472:224973,CCC1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1-c1cccc(CN2CCN(C)CC2)c1,PWRDZVHHNYUSMN-UHFFFAOYSA-N
-rxn:4:190785:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1CC(=O)N1CC2CC1CS2,TWWNFIUZIXXDDI-UHFFFAOYSA-N
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-rxn:4:190928:222923,COC(=O)c1cc2c(c(-c3ccc(C)c(S(=O)(=O)NC4CC4)c3)c1)N(C(C)C)CCC2=O,FTUJQNIRIYRSQD-UHFFFAOYSA-N
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-rxn:4:190975:225603,CC(C)(C)OC(=O)N1CCC(F)(F)c2cc(-c3cccc(C4(C#N)CCC4)c3F)ccc21,PVPCIMPKIBGYIC-UHFFFAOYSA-N
-rxn:4:190995:223953,COCCN1CCN(c2cc(F)cc(-c3ccc4c(c3)CN(c3ccc(C(=O)OC)cc3)C(=O)CO4)c2)CC1,WNFSEFQDWUDKQX-UHFFFAOYSA-N
-rxn:4:191006:222826,COC1CC2CCC(C1)N2S(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc1,JGXANLYISMDSAR-UHFFFAOYSA-N
-rxn:4:191030:222877,CC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)C(C)(C)N(C(=O)OC(C)(C)C)C3)cc1Cl,KWZBSOZBUVCLCJ-UHFFFAOYSA-N
-rxn:4:191033:224864,CC(C)N(Cc1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCC3)cc1)C(C)C,RNTFZXFEXXVZEW-UHFFFAOYSA-N
-rxn:4:191062:225455,Cc1ccc(N2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(S(C)(=O)=O)C2,VCJQYJJAAPSAIW-UHFFFAOYSA-N
-rxn:4:191062:226084,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc2c(c1)C(=O)CCCC2,HSZSWCCCENKUTG-UHFFFAOYSA-N
-rxn:4:191062:228002,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1sccc1C1CCCC1,GRJPECURJUFIDT-UHFFFAOYSA-N
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-rxn:4:191087:224563,Cc1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c(O[Si](C)(C)C(C)(C)C)c1,DRUVEIZXRSFCLA-UHFFFAOYSA-N
-rxn:4:191088:223075,CC(C)(C)OC(=O)N1CCC(C)(C)c2cc(-c3ccc(NS(=O)(=O)C4CC4)cc3)ccc21,LBRCWFDZJOXPHC-UHFFFAOYSA-N
-rxn:4:191090:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cccc3c2C(C)(C)CN(C(=O)OC(C)(C)C)C3)CC1,KXJWWTYSNZZYQP-UHFFFAOYSA-N
-rxn:4:191092:223079,CC(C)NS(=O)(=O)c1cccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)c1,MSICEUHEDKNSDV-UHFFFAOYSA-N
-rxn:4:191092:224930,CCN(CC)Cc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc1OC,CJDLKZPBHYVKQK-UHFFFAOYSA-N
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-rxn:4:191104:224863,CC(C)N(Cc1ccccc1-c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CO2)C(C)C,XEHKLUNGVQPWSF-UHFFFAOYSA-N
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-rxn:4:205885:223787,CN1CCN(CCCOc2ccc(-c3ncc(C(=O)N4CCOCC4)s3)cc2F)CC1,ZGBHMKDRPQKPTA-UHFFFAOYSA-N
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-rxn:4:206749:222824,Cc1cc(F)c(-c2ccc([N+](=O)[O-])c(N3CCCC(F)(F)C3)c2)cc1S(=O)(=O)NC(C)C,DKCCBWOBQDWCOB-UHFFFAOYSA-N
-rxn:4:206764:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cnc(N3CCCC(C(F)(F)F)C3)c(F)c2)cn1,JIFJIZMYCRGQTM-UHFFFAOYSA-N
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-rxn:4:211034:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(N4CC5C(C4)C5(C)C)cc3C)cc21,BQMJRAJVKDWVDI-UHFFFAOYSA-N
-rxn:4:211034:223960,CCN1CCN(C(=O)c2cc(-c3cnc(N4CC5C(C4)C5(C)C)cc3C)ccc2F)CC1,JTHYZSVCPDXVQZ-UHFFFAOYSA-N
-rxn:4:211096:222742,c1ccc(C2=NN3C(C2)c2cc(-c4cc(C5CCNCC5)nc(C5CC5)c4)ccc2OC32CCCC2)cc1,SBEZZVVPVPGMDG-UHFFFAOYSA-N
-rxn:4:212526:226794,N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2-c2cnc(N3CCSCC3)nc2)CC1,CFIGCOZCEIEIMG-UHFFFAOYSA-N
-rxn:4:212559:225274,COCCOc1c(F)cc(-c2ccc(CSC3=NCCN3C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1F,NRIIHMIFOGDYDO-UHFFFAOYSA-N
-rxn:4:212571:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cn(C)nc2OCC2CN(C(=O)OC(C)(C)C)C2)cc1,KVOYCUJSADXLLB-UHFFFAOYSA-N
-rxn:4:212572:223577,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(-c4ncn(COCC[Si](C)(C)C)n4)cc3)cc2)CC1,YCNVELFQRAKFSV-UHFFFAOYSA-N
-rxn:4:212575:222624,COc1ccccc1CC(=O)N1CC(Cn2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)cn2)C1,HVWPBKUDOBZCRW-UHFFFAOYSA-N
-rxn:4:212575:224167,COc1ccccc1CC(=O)N1CC(Cn2cc(-c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)cn2)C1,SYDLVESOBZSZEY-UHFFFAOYSA-N
-rxn:4:212584:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C(C)C)cc1,UVXLQYHXSZDYGP-UHFFFAOYSA-N
-rxn:4:212586:222741,COc1cccc(C(=O)N2CC(Cn3cc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cn3)C2)c1OC,ODLNCBWZBKLILB-UHFFFAOYSA-N
-rxn:4:212594:226337,N#Cc1cc(C2CC2)cc(-c2cnc(OC3CCN(C(=O)CSC4CCCC4)C3)nc2)c1Cl,CKKMMVFTYSCMHB-UHFFFAOYSA-N
-rxn:4:212634:223792,COC(=O)C1CCN(C(=O)c2ccc(-c3cn(C)nc3CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)CC1,CGKKVUZNKLDPCN-UHFFFAOYSA-N
-rxn:4:212675:224125,COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1[N+](=O)[O-],APVLGMKXKQYOII-UHFFFAOYSA-N
-rxn:4:212740:223544,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c2)CC1,LSBROHREMDDYBM-UHFFFAOYSA-N
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-rxn:4:212748:223279,CC1CN(c2cc(CN3CCCCC3)cc(-c3cnc(C4CCCN4)nc3)c2)CCN1C(=O)OC(C)(C)C,URSUMYSVKRWADV-UHFFFAOYSA-N
-rxn:4:212754:222773,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3ccc(C(=O)NC4CCOCC4)cc3)ccc21,ZMYIIDDDHXZCKC-UHFFFAOYSA-N
-rxn:4:212770:223075,CCOC(=O)c1nn2c(c1-c1ccc(NS(=O)(=O)C3CC3)cc1)CN(C(=O)OC(C)(C)C)CC2,XDQLOTPDKPWRII-UHFFFAOYSA-N
-rxn:4:212771:227657,CN(C)CCN(C(=O)C1=COCCO1)c1nc2ccc(-c3ccc(N4CCOCC4)s3)cc2s1,KYXRFPNQVXAZLU-UHFFFAOYSA-N
-rxn:4:212942:224197,CCN1CCN(Cc2ccc(-c3cnn(CC4CN(C(=O)c5cc(Cl)ccc5OC)C4)c3)cc2F)CC1,FELHVSPQDSRVOI-UHFFFAOYSA-N
-rxn:4:212988:227467,COCCOc1cnccc1-c1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cs1,VRZUMKXEQIFYSS-UHFFFAOYSA-N
-rxn:4:213028:225010,N#Cc1cccnc1OC1CCN(C(=O)c2cc(-c3ccc(F)c(CN4CCCCC4)c3)ccc2Cl)CC1,HAXGJWPTFZYBSU-UHFFFAOYSA-N
-rxn:4:213054:223901,Cc1ccc(OCC2CCN(C(=O)c3cccc(-c4ccc(OCCN5CCC(C)CC5)c(Cl)c4)c3)C2)nn1,VBXABYAMJANSJW-UHFFFAOYSA-N
-rxn:4:213064:225218,CC1CCCN(c2ncc(-c3cncc(C(=O)N4CCC(Oc5ccc(C(F)(F)F)cn5)CC4)c3)cc2Cl)C1,KGYOMYGIWUUTAO-UHFFFAOYSA-N
-rxn:4:213066:228232,O=C(c1ccc(-c2cnc(Cl)c(C3CC3)c2)o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1,XHQMDMSMPHEIJY-UHFFFAOYSA-N
-rxn:4:213076:224302,CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c3F)cn2)cc1,QJAMWLNXMGDHJC-UHFFFAOYSA-N
-rxn:4:213080:226222,CCCCCOc1ccc(-c2cncc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1,SKBVQSWVWVNHJI-UHFFFAOYSA-N
-rxn:4:213081:224404,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)cc2C#N)CC1,XMANLPZEULTPPN-UHFFFAOYSA-N
-rxn:4:213088:223131,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(N4CCNCC4)cc3)c2C#N)CC1,UVRRCDNFWRNQTA-UHFFFAOYSA-N
-rxn:4:213092:223168,CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(-c3cccnc3N3CCNCC3)c2)CC1,GHXFANDNPJHIKL-UHFFFAOYSA-N
-rxn:4:213134:223787,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCN(C)CC4)c(F)c3)cn2)CC1,INWDIIDCZNSNEO-UHFFFAOYSA-N
-rxn:4:213135:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cnc(OC3CCN(C(=O)CC(C)(C)C)CC3)nc2)c1,APFXOTADWXIMLS-UHFFFAOYSA-N
-rxn:4:213135:223945,CC(C)(C)CC(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,FPQHMEVSICZWIY-UHFFFAOYSA-N
-rxn:4:213135:226236,CCCCOc1ncc(C)cc1-c1cnc(OC2CCN(C(=O)CC(C)(C)C)CC2)nc1,VYEIMWSHUSDYSZ-UHFFFAOYSA-N
-rxn:4:213157:224328,Cc1cc(OC2CN(C(=O)c3cncc(-c4cccc(S(=O)(=O)N5CCCCC5C)c4)c3)C2)cc(=O)n1C1CC1,KBBYLCRKDHSFMB-UHFFFAOYSA-N
-rxn:4:213163:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)C5CCCC5)CC4)nc3)cc2)CC1,HPKOKYYJYALDHU-DUYHBEBVSA-N
-rxn:4:213176:223660,Cc1cccnc1OCC1CCN(C(=O)c2cncc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)s3)c2)CC1,MUMPXFRFUGMROT-UHFFFAOYSA-N
-rxn:4:213178:224772,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(C(=O)N5CCOCC5)cc4Cl)cn3)C2)c(C)o1,RNAMSYLYCWOEEE-UHFFFAOYSA-N
-rxn:4:213188:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccccc3C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)c(F)ccc21,SMAKUXOIUJBJAI-UHFFFAOYSA-N
-rxn:4:213191:225622,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3OC3CCCCO3)nc2)CC1,IOTKVKGGQPHGFI-UHFFFAOYSA-N
-rxn:4:213256:224337,O=C(c1ccccc1-c1cnc(C(F)(F)F)c(C2CCCCC2)c1)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1,QHFKZUOANYUTPK-UHFFFAOYSA-N
-rxn:4:213274:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(-c4ccc(=O)n(CC(=O)N5CCOC(c6ccccc6)C5)n4)cc3)cc2)CC1,LCHGZEORBGHOFC-UHFFFAOYSA-N
-rxn:4:213290:225276,CCCOc1cc(-c2cnc(OC3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)nc2)ccc1C(F)(F)F,LQLQZOULWDLNNY-UHFFFAOYSA-N
-rxn:4:213334:225106,CCN(CC)C(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4nc5ccc(OC(F)(F)F)cc5s4)CC3)o2)cc1Cl,HQPXBYGYUYKVRB-UHFFFAOYSA-N
-rxn:4:213427:224992,O=C1CCN(Cc2ccccc2-c2ccc(-n3c(SCC(=O)N4CCCc5ccccc54)nc4c(c3=O)SCC4)cc2)CC1,WDQAAHJQOMGAHT-UHFFFAOYSA-N
-rxn:4:213475:222982,COc1cc(-c2ccc(CN3CC[C@@H](O)C3)cc2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,IVMRYLKCQULOMC-FQAFTUTASA-N
-rxn:4:213480:222584,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZMZNNNOQXLXQSC-NHZPJIEJSA-N
-rxn:4:213480:224329,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCC(=O)CC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LGBYAASXUYBFSJ-KIESAQMKSA-N
-rxn:4:213480:225978,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(N5CCOCC5)nc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,IMSWSZDSGQQMQK-NFHREUMDSA-N
-rxn:4:213603:224370,CC(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1cnc(OC2CCN(C(=O)C3CC3)C2)nc1,NUFNKMUESUQWMD-UHFFFAOYSA-N
-rxn:4:213604:222694,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)C1,XFBGXPJIOBEVIE-UHFFFAOYSA-N
-rxn:4:213604:222748,CCS(=O)(=O)N1CCC(Oc2ncc(-c3cccc(C(=O)NCC4CCCO4)c3)cn2)C1,GQTQJLWTONQBFY-UHFFFAOYSA-N
-rxn:4:213629:224756,CC(C)(C)OC(=O)N1CC(n2nccc2-c2cc(F)ccc2C(=O)N2CCOCC2)C1,KUEVROZPBWVEFA-UHFFFAOYSA-N
-rxn:4:213633:222754,COc1ccc(C(=O)NC(C)(C)C)c(-c2cnn(CC3CCN(CC(F)(F)F)CC3)c2)c1,WJGKLFMDOJLYAT-UHFFFAOYSA-N
-rxn:4:213693:222915,CC(C(=O)N1CCCC(C(F)(F)F)C1)n1cc(-c2ccc(C(=O)NC3=NCCS3)cc2)cn1,XYBAUWWODZDGIJ-UHFFFAOYSA-N
-rxn:4:213723:224318,CCN1CCN(C(=O)Cc2cncc(-c3ccc(C(=O)N4CCN(C)CC4)c(F)c3)c2)CC1,MSWCVPVYEDMVLS-UHFFFAOYSA-N
-rxn:4:213798:225877,CC(C)(C)OC(=O)N1CCOC(c2cnc(-c3ccc(Cl)cc3N3CCOCC3)cn2)C1,LCQRDVXIXCHMIW-UHFFFAOYSA-N
-rxn:4:213800:225975,CC(C)(C)OC(=O)N1CCOCC1c1cc(-c2ccnc(N3CCOCC3)c2Cl)ncn1,WJLRXGXNZVMXEO-UHFFFAOYSA-N
-rxn:4:213801:225325,CCOC(=O)c1cc(-c2cncc(C3CN(C(=O)OC(C)(C)C)CCO3)n2)cc([N+](=O)[O-])c1,MOUAKMLTOUNBCC-UHFFFAOYSA-N
-rxn:4:213803:222777,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(CN3CCC(O)CC3)c(Cl)c2)cn1,NYRBAWGCMZJNIX-UHFFFAOYSA-N
-rxn:4:213843:222700,CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)ccn2)C(=O)C1,HXRUVISDQJVZAB-UHFFFAOYSA-N
-rxn:4:213879:223060,CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2cc(Cl)nc(C3CCNCC3)c2)CC1,XHTQYNZFNDTOJL-UHFFFAOYSA-N
-rxn:4:213880:224718,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(OCCN3CCOCC3)nc2)CC1,WUCFHYJFELCWEZ-UHFFFAOYSA-N
-rxn:4:213882:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(CC5CCS(=O)(=O)CC5)C4)c3)ccc2OC)CC1,SBGLFDYZKDDFKL-UHFFFAOYSA-N
-rxn:4:213898:224718,CC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCN4CCOCC4)nc3)cn2)CC1,FMSYJCDNOLJVMI-UHFFFAOYSA-N
-rxn:4:213901:225898,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cnn(CCN3CCOCC3)c2)CC1,LIIWNDSLCRMDFT-UHFFFAOYSA-N
-rxn:4:213928:223812,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)C2)n1,HNIJVVFBIGOXHD-UHFFFAOYSA-N
-rxn:4:213931:225899,Cc1cc(-c2cc(C(F)(F)F)cnc2N2CCOC(C(=O)N3CCCC3)C2)n(C(=O)OC(C)(C)C)n1,KRNYIUZSMMGYOY-UHFFFAOYSA-N
-rxn:4:213937:225055,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(N4CCCC(C)C4)cc3Cl)CC2=O)ccn1,NROSEJWMWJFWTF-UHFFFAOYSA-N
-rxn:4:213937:225188,COc1cc(N2CCN(S(=O)(=O)c3ccccc3-c3ccc(Cl)c(CN4CCOCC4)c3)CC2=O)ccn1,YICRRBHSURODDR-UHFFFAOYSA-N
-rxn:4:213964:222648,Cc1cnc(OC2CCN(Cc3cc(-c4cc(NC(=O)OC(C)(C)C)c(C)cc4C)ccc3F)CC2)nc1,KZAKUPBRZDFWBN-UHFFFAOYSA-N
-rxn:4:213969:222653,O=C(Nc1ccccc1)c1cc(-c2ccc(C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)o2)ccc1F,JGXPGIACCCUEKM-UHFFFAOYSA-N
-rxn:4:213969:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3ccc(C(=O)N4CCC(N5CC(=O)N(C6CC6)C5=O)CC4)o3)c2)C1,NTZSSBNCXQRCBY-UHFFFAOYSA-N
-rxn:4:213972:227249,CCCOc1ccc(Cl)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)c1,GTINGFJMIBADRI-UHFFFAOYSA-N
-rxn:4:213983:226521,COc1cc(OC)c(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)c(OC)c1,WLNABBRHFWIEOS-UHFFFAOYSA-N
-rxn:4:213992:226844,O=C(c1cc(-c2cnc(OC3CCN(CC4CCOCC4)CC3)nc2)ccn1)C(F)(F)F,NIPKAZSVVMXZAL-UHFFFAOYSA-N
-rxn:4:214033:223639,CC(C)[C@H]1COC(c2cc(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,VJYJFYHCFRUDBP-LOYHVIPDSA-N
-rxn:4:214064:222580,CS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CC4)c4ccccc34)cc2N2CCOCC2)CC1,GOWGOYPBHXPVKI-UHFFFAOYSA-N
-rxn:4:214064:228106,CCC(C)c1ncc(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)c(N3CCOCC3)c2)cn1,ZZTJYQDQOUUAPJ-UHFFFAOYSA-N
-rxn:4:214084:224584,CC1CCN(C(=O)c2cccc(-c3ccc(-c4nc(S(=O)(=O)N5CCCN(C)CC5)c(-c5ccc(Cl)cc5)o4)cc3)c2)CC1,PPESMGSZUCRHOS-UHFFFAOYSA-N
-rxn:4:214086:222642,CC(C)N1CCN(Cc2ccc(-c3cccc(C(=O)NCc4ccncc4)c3)cc2N2CCCCC2)CC1,TXULPXZBAMNRRZ-UHFFFAOYSA-N
-rxn:4:214144:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2c(C#N)cnc3c2CCN(C(=O)OC(C)(C)C)C3)cc1,MMBOZVVBKUBERI-UHFFFAOYSA-N
-rxn:4:214168:223812,O=C(c1ccc2ncsc2c1)N1CCC(Oc2ccncc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)C1,QZEJQVHLNQZDCJ-UHFFFAOYSA-N
-rxn:4:214185:225975,CC(C)(C)OC(=O)N1CCCn2nc(C(F)(F)F)c(-c3ccnc(N4CCOCC4)c3Cl)c2C1,VORVRCAMDMDAQU-UHFFFAOYSA-N
-rxn:4:214220:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3[nH]c(C4CCCN4C(=O)OC(C)(C)C)nc3c2)cc1,AKDDXPFUHZQEMV-UHFFFAOYSA-N
-rxn:4:214335:226859,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccccc2-c2ccc(OC(F)(F)F)cc2Cl)CC1,XXLYVZTZLPUYOH-UHFFFAOYSA-N
-rxn:4:214339:223918,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5cc(C(=O)N(C)C6CCCCC6)ccc5F)ccc43)C2=O)cc1,ISXIRWBCUDDNSE-UHFFFAOYSA-N
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-rxn:4:214527:223542,CN1CCN(S(=O)(=O)c2cc(-c3cn(Cc4ccccc4F)nc3[N+](=O)[O-])ccc2OC(F)(F)F)CC1,GOBHXGOPNUMEBB-UHFFFAOYSA-N
-rxn:4:214555:223482,O=C(Cn1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)n1)N1CCCC1,FMKMBBNGEYIFDA-UHFFFAOYSA-N
-rxn:4:214639:222865,CCCCNC(=O)c1ccc(-c2cnc(N3CCCC(C(F)(F)F)C3)c([N+](=O)[O-])c2)cc1Cl,XBEOPYVAFHQBGN-UHFFFAOYSA-N
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-rxn:4:214677:224018,CCN1CCN(c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)ccc2C#N)CC1,KOIJWELNKCLQGX-UHFFFAOYSA-N
-rxn:4:214697:224830,FC(F)(F)c1cc(-c2cnn(C3CCN(CC4CC4)CC3)c2)n(C2CCCCO2)n1,XLFQKYJHRBIZPQ-UHFFFAOYSA-N
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-rxn:4:214745:224195,CCN1CCN(Cc2cc(-c3ccc(C#N)c(N4CCC(N(C)C)CC4)c3)ccc2Cl)CC1,HPYCOXYLEFHFQV-UHFFFAOYSA-N
-rxn:4:214745:224197,CCN1CCN(Cc2ccc(-c3ccc(C#N)c(N4CCC(N(C)C)CC4)c3)cc2F)CC1,JCXPBIVPEIHGNW-UHFFFAOYSA-N
-rxn:4:214747:224193,CCN1CCN(Cc2cc(-c3cccc(C#N)c3N3CCC(N(C)C)CC3)ccc2F)CC1,UMLAYRDEDDSLMO-UHFFFAOYSA-N
-rxn:4:214747:224195,CCN1CCN(Cc2cc(-c3cccc(C#N)c3N3CCC(N(C)C)CC3)ccc2Cl)CC1,WPBNPGHCSCYHQR-UHFFFAOYSA-N
-rxn:4:214750:224397,CN(C)C(=O)N1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)cc3)c2)CC1,UNFHWPBOZHYIHM-UHFFFAOYSA-N
-rxn:4:214791:224426,Cc1nc(N2CCN(CC3CC3)CC2)ccc1-c1cc(C2CCCCC2)cc(C2CC2)c1,FPKKIBXVWMPUID-UHFFFAOYSA-N
-rxn:4:214802:223637,CC(C)(C)OC(=O)N1CCCC(c2ccccc2-c2cccnc2N2CCOC(C(=O)N3CCCC3)C2)C1,MPKSDYMAAXKLCT-UHFFFAOYSA-N
-rxn:4:214870:227275,CCCOc1c(F)cccc1-c1cc(Cl)cnc1N1CCCC(C(=O)N2CCOCC2)C1,KUZCAVRNPLWCGD-UHFFFAOYSA-N
-rxn:4:215027:222719,CC(C)(C)OC(=O)N1CCn2ncc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c21,WMRLXPUJKUZIIX-UHFFFAOYSA-N
-rxn:4:215064:222703,CC(C)(C)OC(=O)N1CCc2nc(-c3ccc(C(F)(F)F)c(C4CCNCC4)c3)[nH]c2C1,MMKSBZBGUSAWHI-UHFFFAOYSA-N
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-rxn:4:215097:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2ncc3n2C(C)CN(C(=O)OC(C)(C)C)C3)c1,YKODHDCIGMOXSP-UHFFFAOYSA-N
-rxn:4:215099:224309,C[C@@H]1Cn2ncc(-c3c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c3F)c2CN1C(=O)OC(C)(C)C,GBBUZGPXWRJYBM-OAHLLOKOSA-N
-rxn:4:215102:223508,CC(C)(C)OC(=O)N1CCc2nc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2CC1,XCUXGBYDGCNYSG-UHFFFAOYSA-N
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-rxn:4:215232:225898,O=C(C1CCCN(c2ccc3ccc(-c4cnn(CCN5CCOCC5)c4)cc3n2)C1)N1CCOCC1,ORLAEICBGRKTDM-UHFFFAOYSA-N
-rxn:4:215883:223602,CCN1CCN(c2ncccc2-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)CC1,UFTXEGMFKLPLPV-UHFFFAOYSA-N
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-rxn:4:216354:224588,CC(=O)N1CCC2(CC1)Oc1ccc(-c3cc(F)cc(CN4CCC(C)CC4)c3)cc1C1CC(c3ccccc3)=NN12,AMQCHNKZXNQUJK-UHFFFAOYSA-N
-rxn:4:217905:222715,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c4)ccc2OC32CCN(C)CC2)o1,VOBWMIIUQQCKEU-UHFFFAOYSA-N
-rxn:4:217905:223075,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(NS(=O)(=O)C5CC5)cc4)ccc2OC32CCN(C)CC2)o1,IPQPPGXYCQEWGR-UHFFFAOYSA-N
-rxn:4:218583:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1cnc(OCC2CCN(Cc3ccc(C#N)cc3)CC2)nc1,HVGUPHIBSFUTID-UHFFFAOYSA-N
-rxn:4:218585:222841,N#Cc1ccc(CN2CCC(COc3ncc(-c4ccc(C(=O)NC5CCCC5)cc4)cn3)CC2)c(F)c1,ZAACVWZTANNNSK-UHFFFAOYSA-N
-rxn:4:218589:222466,N#Cc1ccc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cn3)C2)cc1,DGKGVTCTBHYRHK-UHFFFAOYSA-N
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-rxn:4:218656:226466,COc1cc(=O)n(C)cc1C(=O)N1CCCC(COc2ncc(-c3ccc4c(c3)OCC(=O)N4C)cn2)C1,MJZARNVHDAWYJO-UHFFFAOYSA-N
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-rxn:4:218702:223542,CC(Oc1ccccc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)n[nH]2)CC1,UCWDUSRBQSRVLP-UHFFFAOYSA-N
-rxn:4:218705:225975,CC(Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(-c4ccnc(N5CCOCC5)c4Cl)cc3)n[nH]2)CC1,REUGXZLSQFLLKQ-UHFFFAOYSA-N
-rxn:4:218708:225363,COc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(-c5ccc(C(=O)N6CC(F)(F)C6)nc5)cc4)n[nH]3)CC2)c(OC)c1,TYCOJGIXPOIUIG-UHFFFAOYSA-N
-rxn:4:218709:225952,COc1cc(OC)cc(C(=O)N2CCCN(c3cc(-c4ccc(-c5cnc(N6CCOCC6)nc5C)cc4)n[nH]3)CC2)c1,MXAIZJQFKVGWMP-UHFFFAOYSA-N
-rxn:4:218710:226797,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc(-n5ccnc5)c(Cl)c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,DRLNGCXBZJINEX-UHFFFAOYSA-N
-rxn:4:218710:226930,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5c(C)cccc5c4)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,WERMMBMXTHFRGZ-UHFFFAOYSA-N
-rxn:4:218710:228911,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4ccc(OC)nc4F)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,HPOSJJHWKAYRAD-UHFFFAOYSA-N
-rxn:4:218754:224688,CC(C)(C)OC(=O)N1CCC(n2c(=O)c3scc(-c4ccc(CN5CCC(=O)CC5)c(Cl)c4)c3n(CC#N)c2=O)CC1,UUMILSPDIFKHBG-UHFFFAOYSA-N
-rxn:4:218768:227878,CCCCCc1ccc(-c2cc(CCC(=O)N3Cc4cnc(N5CCOCC5)nc4C3)ccc2OC)s1,DZLUWKINJJRDFA-UHFFFAOYSA-N
-rxn:4:218772:225108,CCN(CC)C(=O)c1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2)c(F)c1,ZKKJSGZGCBOXDP-UHFFFAOYSA-N
-rxn:4:218813:224734,CN(CC1CN(c2ncc(-c3ccc(C(F)(F)F)cc3OCC3CC3)cn2)C1)C(=O)C1CC1,CFQCOQMIMYUGNM-UHFFFAOYSA-N
-rxn:4:218831:222584,O=C(c1cscn1)N1CCC(COc2ncc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cn2)CC1,KVDLOFCRUGNWHW-UHFFFAOYSA-N
-rxn:4:218867:225408,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc4c5c(c3)CCCN5CCC4)c2)no1,YKLYFKKFNJALES-UHFFFAOYSA-N
-rxn:4:218867:226427,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cc(N4CCC(C)CC4)cs3)c2)no1,ORCLWFYAKINLOW-UHFFFAOYSA-N
-rxn:4:218868:225183,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(OC4CCCCC4)nc3F)cc2)no1,NKRKHYAEKWZIJN-UHFFFAOYSA-N
-rxn:4:218868:226792,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCOCC4)nc3)cc2)no1,PVBFCTGABFANDP-UHFFFAOYSA-N
-rxn:4:218881:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(C(=O)c5ccncc5)C4)nc3)c2)CC1,VSNSLRSKYNJJFU-UHFFFAOYSA-N
-rxn:4:218885:224819,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)CC1,FNQIEIZVQBQKPE-UHFFFAOYSA-N
-rxn:4:218888:224759,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,BREUNSWJMACQPI-UHFFFAOYSA-N
-rxn:4:218894:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)c(C#N)c3)c2Cl)CC1,XSIVIDDEUPIJLC-UHFFFAOYSA-N
-rxn:4:218998:223047,O=C(NC1CC1)c1cc(F)cc(-c2cnc(OCC3CCCN(C(=O)N4CCOCC4)C3)nc2)c1,PURCSJNQQKKECR-UHFFFAOYSA-N
-rxn:4:219028:223801,CC1CN(C(=O)c2cnn(C)c2-c2ccc(C(F)(F)F)cc2OCc2ccccc2)CCN1C(=O)OC(C)(C)C,ZRWPCTIFKQGYAC-UHFFFAOYSA-N
-rxn:4:219047:223508,COc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c1,UTKIUEPPBNUBFD-UHFFFAOYSA-N
-rxn:4:219050:224460,O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2nc(-c3ccc(-c4cc(C5CC5)cc(N5CCCCC5)c4)cc3)cs2)CC1,OMZFKARRQVVHKL-UHFFFAOYSA-N
-rxn:4:219063:223866,Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ncccc2-c2ccccc2CN2C(C)(C)CCCC2(C)C)CC1,BAGBSDRSGRJXIA-UHFFFAOYSA-N
-rxn:4:219101:223931,CCCCn1c(=O)c2c(nc(-c3cc4ccc(Cl)cc4n3C(=O)OC(C)(C)C)n2C(C)C(C)=O)n(C)c1=O,HUIQYNRGVPQTKS-UHFFFAOYSA-N
-rxn:4:219107:224162,CCC(=O)C1=C(c2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cc2)N(C(=O)CC)n2c(C)nnc2S1,HWEDNNIZUJMYCU-UHFFFAOYSA-N
-rxn:4:219142:225320,CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccc(N5CCOCC5)c(F)c4F)cc23)CC1,AOLMWTSOBDYCAT-UHFFFAOYSA-N
-rxn:4:219157:224659,COc1ccc(-c2cccc(C(=O)N3CCN(C)CC3)c2)c(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c1,DVPQOXFBXBVEDB-UHFFFAOYSA-N
-rxn:4:219207:222562,O=C(NCc1cccc(Cl)c1)c1cccc(-c2ccc(-c3csc(N4CCN(CCN5C(=O)C6C7C=CC(C7)C6C5=O)CC4)n3)cc2)c1,YHEZVFLKTHFTTG-UHFFFAOYSA-N
-rxn:4:219271:225712,CCOC(=O)COc1ccc(-c2cnc(N3CCN(CC(F)(F)F)CC3)c([N+](=O)[O-])c2)cc1,FUWHIWYKCIYMFI-UHFFFAOYSA-N
-rxn:4:219354:222583,CN(C1CCN(c2ncc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,QSFBHSHHHOYGGW-UHFFFAOYSA-N
-rxn:4:219372:225980,CC(C)(C)OC(=O)N1CCC(c2[nH]nnc2-c2cc(N3CCOCC3)ncc2F)CC1,QWXLAVAHFAEGRZ-UHFFFAOYSA-N
-rxn:4:219383:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(c5ccncc5Cl)C4)nc3)c(F)c2)CC1,YVFUETSZHHYCJT-ANRZFKABSA-N
-rxn:4:219388:223927,C[Si](C)(C)CCOCn1c(-c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)o2)cc2cccnc21,CRFHZFGBHCENSH-UHFFFAOYSA-N
-rxn:4:219402:222838,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(CNC(=O)C(C)(C)C)cc3)cn2)CC1,GBWIXNQXCKHKAN-UHFFFAOYSA-N
-rxn:4:219409:224252,Cc1c(C(=O)N2CCOCC2)nnn1Cc1ccc(-c2ccc(C(=O)N3CCCC(C)C3)c(F)c2)cc1,FNJMMLLXOAMHOX-UHFFFAOYSA-N
-rxn:4:219436:228361,CN(C)c1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C#N)c2)c(F)cn1,MCBOZFIEXJSUTP-UHFFFAOYSA-N
-rxn:4:219444:223588,Cc1cc(-c2cncc(C(=O)N3CCC(c4nnc(-c5ccco5)s4)CC3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,PMJJNAJBCBMIHY-UHFFFAOYSA-N
-rxn:4:219469:224796,CSc1ncc(-c2cncc(S(=O)(=O)OCC(C)(C)C)c2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,FFJAOYNRPCRREO-UHFFFAOYSA-N
-rxn:4:219471:223035,CSc1ncc(-c2cccnc2NC(=O)C(C)(C)C)c(N2CCOC(C(=O)N3CCCC3)C2)n1,IXSVXKNGJUOKNX-UHFFFAOYSA-N
-rxn:4:219498:226262,CCCCOc1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2OC)c1Cl,ITZJCKQEFBDDEX-UHFFFAOYSA-N
-rxn:4:219499:228356,CC(C)c1nc(Cl)ncc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(C#N)c1,QLKNFCMFULTPSR-UHFFFAOYSA-N
-rxn:4:219501:227292,CSc1ncc(-c2ccc(F)c(CN(C)C)c2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,ATDJKYTWJBFTLT-UHFFFAOYSA-N
-rxn:4:219501:227298,CSc1ncc(-c2cc(F)ccc2CN(C)C)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,FHCOSYJYUHDVJZ-UHFFFAOYSA-N
-rxn:4:219506:224502,CN1CCCCC1COc1cccc(-c2ccc(S(=O)(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)cc2)c1,CZRWUBMCODPSOF-UHFFFAOYSA-N
-rxn:4:219506:225462,CC1CCN(c2cccc(-c3ccc(S(=O)(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3)c2)CC1,QVEYJOCRJMDHGW-UHFFFAOYSA-N
-rxn:4:219521:225547,CCCCOc1cc(F)c(C)cc1-c1ccc(C(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)o1,VXQVKBYJQBHJOA-UHFFFAOYSA-N
-rxn:4:219523:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)cc2)CC1,FZXMUJBYUKCMMU-UHFFFAOYSA-N
-rxn:4:219534:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCC(n5nc(C6CC6)ccc5=O)CC4)c3)c2)CC1,YCIQJLYUCHRHBZ-UHFFFAOYSA-N
-rxn:4:219534:223997,Cc1cc(-c2cncc(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)c2)cc(C)c1S(=O)(=O)N1CCOCC1,DMYQEZSLHLYGBD-UHFFFAOYSA-N
-rxn:4:219552:222464,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1,SEWIKJBATWKULV-UHFFFAOYSA-N
-rxn:4:219565:225087,Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(OCCCN(C)C)c(F)c4)cc3)CC2)n1,FHRMTTOHSFMTCV-UHFFFAOYSA-N
-rxn:4:219630:224718,CCS(=O)(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccc(OCCN5CCOCC5)nc4)cc23)CC1,VVHDCLOPGQMSLJ-UHFFFAOYSA-N
-rxn:4:219642:222584,N#Cc1cc2c(nc1N1CCC(Oc3ccncc3-c3ccc(OCCCN4CCNCC4)c(F)c3)C1)CCC2,YCNDQXIXZKZHTQ-UHFFFAOYSA-N
-rxn:4:219650:222892,COc1cc(N2CCNCC2)ccc1-c1cc(CN2N=NC3C(=O)N(c4ccc(Cl)cc4)C(=O)C32)ccc1OC,JCOBDPRYOWKTSR-UHFFFAOYSA-N
-rxn:4:219653:225226,CC1CCN(c2cc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c(F)cn2)CC1,KTJSBBXLKLPPHK-UHFFFAOYSA-N
-rxn:4:219654:223953,COCCN1CCN(c2cc(F)cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)c2)CC1,LUSJCYAUZBUWEP-UHFFFAOYSA-N
-rxn:4:219654:225172,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(CN5CCOCC5)ccc4F)cc23)CC1,MRHSMYLVMDXMSW-UHFFFAOYSA-N
-rxn:4:219743:223598,CC(C)c1sc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,XIOFIJUTNJSIMP-UHFFFAOYSA-N
-rxn:4:219931:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCCN(S(=O)(=O)C5CC5)CC4)nc3)ccc(F)c2s1,HZVQVCPNKHIORW-UHFFFAOYSA-N
-rxn:4:219931:223035,CC(C)(C)C(=O)Nc1ncccc1-c1cnc(N2CCCN(S(=O)(=O)C3CC3)CC2)nc1,FVIKENOUXZXITM-UHFFFAOYSA-N
-rxn:4:219959:222973,CC(C)(C)NC(=O)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,UJALBZCOGILAGD-UHFFFAOYSA-N
-rxn:4:219981:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)nc3)c2)CC1,OAFUHHOYFWRUDA-UHFFFAOYSA-N
-rxn:4:220038:222772,CC(C)(C)OC(=O)N1CCn2c(nnc2-c2ccc(Cl)c(C(=O)NC3CCCC3)c2)C1,XHUAJJJWUWXQNG-UHFFFAOYSA-N
-rxn:4:220118:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc4nc(OC5CCN(c6ncc(F)cn6)CC5)sc4c3)cc2C1,HRBJNSBVIBIYRH-UHFFFAOYSA-N
-rxn:4:220136:224396,Cc1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)ccc1S(=O)(=O)N1CCOCC1,IENZGLQKSXUSCH-UHFFFAOYSA-N
-rxn:4:220149:224193,CCN1CCN(Cc2cc(-c3ccc4c(N5CC(C(=O)N6CCOCC6)CC5=O)[nH]nc4c3)ccc2F)CC1,IEOQZGMLESAENZ-UHFFFAOYSA-N
-rxn:4:220149:226285,CC(C)COc1ccc(Cl)c(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)c1,YNFGZBYFOVAJAH-UHFFFAOYSA-N
-rxn:4:220221:225875,CN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(N5CCOCC5)cc4Cl)cc2)OC3)CC1,ZVFZIFIDQAWOIA-UHFFFAOYSA-N
-rxn:4:220519:223499,CCN1CCN(c2ncnc3ccc(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc23)CC1,SAECQYOWHOLDEG-UHFFFAOYSA-N
-rxn:4:220536:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4ncnc(N5CCN(C6CCC6)CC5)c4c3)c(F)cc2C)CC1,SWMBWVDHOALFJJ-UHFFFAOYSA-N
-rxn:4:220537:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)c(F)cc2C)CC1,ZGHCAXFJNMQLPW-UHFFFAOYSA-N
-rxn:4:220537:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4nc(N5CCN(C6CCC6)CC5)ncc4c3)c2)CC1,RECWJCJKFNTHIT-UHFFFAOYSA-N
-rxn:4:221108:225636,Cc1ncn(CC(=O)N2CCC(COc3ncc(-c4ccnc(N5CCC(C)CC5)c4)cn3)CC2)c(=O)c1C,WKTQMNRCHNNFFX-UHFFFAOYSA-N
-rxn:4:221116:225014,CCOc1ccc(-c2cc(-c3nccs3)cc(C3CC3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,ZDYWPLYVBMZOEF-UHFFFAOYSA-N
-rxn:4:221117:224672,CCN1CCN(c2ccc(-c3ccc4nc(N(CCN5CCOCC5)C(=O)c5cnccn5)sc4c3)c(Cl)c2)CC1,FDNFAUXBYDLOHW-UHFFFAOYSA-N
-rxn:4:221166:222540,CSc1ncc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c(N2CCC(COc3cnccn3)CC2)n1,CLLCWYVYHZJPKJ-UHFFFAOYSA-N
-rxn:4:221172:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCN(C(=O)c5ccc(=O)n(C)n5)CC4)nc3)c(F)c2)CC1,YAPLQULXRGAMEH-ALOJWSFFSA-N
-rxn:4:221181:224198,CCN1CCN(Cc2ccc(-c3cnc(OCC4CCCN(C(=O)c5cc(C)n(C)n5)C4)nc3)c(F)c2)CC1,XIRPIVZUMKFBKO-UHFFFAOYSA-N
-rxn:4:221183:224623,COc1ccc(C(=O)OC(C)(C)C)c(-c2cnc(OCC3CCCN(Cc4cn(C)nc4C)C3)nc2)c1,IWBIVJNEHVECAA-UHFFFAOYSA-N
-rxn:4:221184:224396,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)c(C)c4)cn3)C2)n1,QENNAEYJWXUGJG-UHFFFAOYSA-N
-rxn:4:221191:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(OCC2CCCN(c3cc(C)nc(C4CC4)n3)C2)nc1,NFVYQWIKYRNGNP-UHFFFAOYSA-N
-rxn:4:221203:223118,CCCC(=O)Nc1cccc(-c2ccc(CCN3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)c1,GLHOXDQJXANNGF-UHFFFAOYSA-N
-rxn:4:221221:222542,Cc1ccc(-c2cncc(C(=O)N3CCC(COc4ccc5nccn5n4)CC3)c2)cc1OCCCN1CCNCC1,QSCLATKSUXWDNF-UHFFFAOYSA-N
-rxn:4:221232:225717,COCCOCc1ccc(F)cc1-c1cnc(OCC2CCCN(c3nc4c(cc3C#N)COCC4)C2)nc1,YTDIMGHTPSJIHL-UHFFFAOYSA-N
-rxn:4:221245:224672,CCN1CCN(c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc6nc(C)c(C)n6n5)CC4)c3)c(Cl)c2)CC1,NKJPRQLPGUMPJC-UHFFFAOYSA-N
-rxn:4:221264:224617,CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(OCCN4CCCC4)c(Cl)c3)cc2)n(C)c1=O,GSIKPVAPNOIDAK-UHFFFAOYSA-N
-rxn:4:221267:225000,CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(CN4CCCCC4)c(F)c3)cc2)n(C)c1=O,QYUWFOHUZGDKGD-UHFFFAOYSA-N
-rxn:4:221342:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(N4CCC(COc5cnccn5)CC4)nc3)cn2)CC1,SPKDXBCWKHJLHD-UHFFFAOYSA-N
-rxn:4:221360:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1,IVRCGUJGDJSKPO-UHFFFAOYSA-N
-rxn:4:221360:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OC2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1,JJAMZEDKBPBXJQ-UHFFFAOYSA-N
-rxn:4:221365:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(OCC4CCCN(c5nccnc5C)C4)nc3)c(F)cc2C)CC1,DLYHCXUJSSMHHZ-UHFFFAOYSA-N
-rxn:4:221383:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CC(n5nc(-c6ccccc6OC)ccc5=O)C4)nc3)c(F)cc2C)CC1,RKEQPAMGNUGJOX-UHFFFAOYSA-N
-rxn:4:221387:223787,Cc1ncnc(OCC2CCN(c3ncc(-c4ccc(OCCCN5CCN(C)CC5)c(F)c4)cn3)CC2)c1C,UHXMCCVYGXVEFD-UHFFFAOYSA-N
-rxn:4:221394:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(Cn5nc(C6CC6)ccc5=O)CC4)nc3)c2)CC1,JNWZKEKJPQIHHW-UHFFFAOYSA-N
-rxn:4:221398:224276,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4cn(C(=O)OC(C)(C)C)c5cccnc45)cn3)CC2)CC1,JHOKUCAYPKWFEB-UHFFFAOYSA-N
-rxn:4:221402:224022,CN(C)c1nccc(N2CCN(Cc3ccccc3-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)CC2)n1,FKZREXUHRMXJCD-UHFFFAOYSA-N
-rxn:4:221413:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3ccc(C(=O)N4CCN(c5cc(N6CCOCC6)ncn5)CC4)o3)c2Cl)CC1,AEMDQUPPIFAPRW-UHFFFAOYSA-N
-rxn:4:221418:223527,Cc1ccccc1-c1ccc(N2CCN(C(=O)c3cncc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)c3)CC2)nn1,LLYCMBCBDOYONB-UHFFFAOYSA-N
-rxn:4:221423:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccccc3CN3CCN(c4ccc(N5CCOCC5)nn4)CC3)c(F)c2)CC1,CIOFDBIUBYSRPN-OGESRWMOSA-N
-rxn:4:221429:222808,CC(C)NC(=O)c1cc(-c2ccc(CN3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)cc([N+](=O)[O-])c1,KYHQQESHHATPFC-UHFFFAOYSA-N
-rxn:4:221436:225530,CCN(CC)Cc1ccc(F)cc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1,KJWOTDJZYWCHFR-UHFFFAOYSA-N
-rxn:4:221447:223048,Cc1cc(N2CCN(Cc3ccc(-c4cccc(C(=O)NC5CC5)c4F)cc3)CC2)nc(N2CCOCC2)n1,XSRFVZUJIRPIBV-UHFFFAOYSA-N
-rxn:4:221449:223046,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(F)c(C(=O)NC5CC5)c4)cc3)CC2)n1,KBYUMEXJIORDAK-UHFFFAOYSA-N
-rxn:4:221452:224796,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(-c4cncc(S(=O)(=O)OCC(C)(C)C)c4)c3)CC2)n1,KDYCYTLXWAJAEN-UHFFFAOYSA-N
-rxn:4:221456:226283,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cc(OCC(C)C)ccc4F)cc3)CC2)n1,XJABYMICKYHNOV-UHFFFAOYSA-N
-rxn:4:221538:222964,C#CCCC(=O)Nc1cccc(-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)c1,BSNFUUQMRHGDPI-UHFFFAOYSA-N
-rxn:4:221614:224743,COCn1nc(-c2c(F)cc(C(=O)OC(C)(C)C)cc2F)nc1N1CCCN(C)CC1,ZFMUDCGMZRHUDZ-UHFFFAOYSA-N
-rxn:4:221641:223597,O=c1ccc(C2CC2)nn1C1CCN(c2ncc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cn2)CC1,MWLRSGSBZFYOFY-UHFFFAOYSA-N
-rxn:4:221641:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)c(F)cc2C)CC1,HSQUNDIDPZOPOO-UHFFFAOYSA-N
-rxn:4:221641:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)cc2)CC1,BCGYAQDQXSJYOW-UHFFFAOYSA-N
-rxn:4:221641:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(n5nc(C6CC6)ccc5=O)CC4)nc3)cc2)CC1,VGDCSSDBPIKJFT-UHFFFAOYSA-N
-rxn:4:221641:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)CC1,HJBXFMPKLAIGEN-UHFFFAOYSA-N
-rxn:4:221643:223590,Cc1cnc(N(C)C2CCCN(c3ncccc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3C)C2)nc1,PZCCULCAPLTETQ-UHFFFAOYSA-N
-rxn:4:221692:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnn(CC4CN(c5ncnc6c5CCCC6)C4)c3)c2)CC1,XRHJOXLTOIOIEB-UHFFFAOYSA-N
-rxn:4:221727:222602,CC(C)Cc1cc(-c2cncc(C(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)c2)c(S(=O)(=O)NC(C)(C)C)s1,NWBPFUNZODCYAM-UHFFFAOYSA-N
-rxn:4:221727:224738,O=C(c1cncc(-c2cc(OCC3CC3)cc(C(F)(F)F)c2)c1)N1CCN(c2cc3c(nn2)CCCC3)CC1,WIVXIRIQALSOPB-UHFFFAOYSA-N
-rxn:4:221807:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCCCC4c4cnn(C)c4)nc3)c(F)cc2C)CC1,CEMLBAJXYSWPRU-UHFFFAOYSA-N
-rxn:4:221917:222613,CCCNS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC(n4cc(-c5nc(CCC)no5)nn4)CC3)c2)c(C(F)(F)F)c1,OKXOQUKGFBZKDL-UHFFFAOYSA-N
-rxn:4:221928:224716,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(N(C)C(=O)OC(C)(C)C)nc4)ccc3OC)nnc12,WCTWXIUKCHUCPV-UHFFFAOYSA-N
-rxn:4:221961:222540,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cncc(-c5cccc(C(=O)NCCN6CCCCC6)c5)c4)CC3)nc2)cn1,SDCWFZMFKLJFFH-UHFFFAOYSA-N
-rxn:4:221965:225186,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(CN6CCSCC6)c5)cc4)CC3)nn2)CC1,WVDXCEXARQXYCB-UHFFFAOYSA-N
-rxn:4:221965:225664,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(N6CCCCC6)cc5Cl)cc4)CC3)nn2)CC1,VNKCUAPGORPVAH-UHFFFAOYSA-N
-rxn:4:221965:227697,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnc(Cl)c(C(=O)OC)c5)cc4)CC3)nn2)CC1,MAMLVKBUQOHCTM-UHFFFAOYSA-N
-rxn:4:221965:227986,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)c(C6CC6)c5)cc4)CC3)nn2)CC1,JEZDVKGUSRYGBZ-UHFFFAOYSA-N
-rxn:4:221965:228090,CCOCc1cncc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCN(CC)CC5)nn4)CC3)cc2)c1,KJSIUAFWPVIOIV-UHFFFAOYSA-N
-rxn:4:221965:228226,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C#N)cc(Cl)c5C)cc4)CC3)nn2)CC1,UQVXEWMLAMKSIN-UHFFFAOYSA-N
-rxn:4:221965:228281,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc(OC)cc(Cl)c5C)cc4)CC3)nn2)CC1,LHKWLEFHZRWLIX-UHFFFAOYSA-N
-rxn:4:221965:228380,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(C#N)c(Cl)c5F)cc4)CC3)nn2)CC1,KUKHMTUCMREARA-UHFFFAOYSA-N
-rxn:4:221965:228453,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cnn(CC(=O)OC)c5)cc4)CC3)nn2)CC1,AWOLKCUMPOAVLW-UHFFFAOYSA-N
-rxn:4:221980:225883,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cnc(C6CCOCC6)c(Cl)c5)c4)sc3n2)CC1,STNZAMAHIWNMTE-UHFFFAOYSA-N
-rxn:4:221985:224569,Cn1cc(-c2nc3cnc(-c4cc(F)cc(OCC5CCCCC5)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,COPXREJFPLNUCP-AREMUKBSSA-N
-rxn:4:221985:224619,Cn1cc(-c2nc3cnc(-c4ccc(OCCN5CCCC5)c(F)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,JUPXXZIFLQIAQP-XMMPIXPASA-N
-rxn:4:221985:225172,Cn1cc(-c2nc3cnc(-c4cc(CN5CCOCC5)ccc4F)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,FTLOIHUDAYACTE-HSZRJFAPSA-N
-rxn:4:221985:225619,Cn1cc(-c2nc3cnc(-c4ccc(Cl)cc4OC4CCCC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,BODWVHPFEMHVPN-JOCHJYFZSA-N
-rxn:4:221985:225801,Cn1cc(-c2nc3cnc(-c4ccnc(OC5CCCC5)c4Cl)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,RCXQJBNRXTYJCV-HXUWFJFHSA-N
-rxn:4:221985:226298,Cn1cc(-c2nc3cnc(-c4ccc(F)cc4OCC4CC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,ZFRQGVYGUNHSNJ-JOCHJYFZSA-N
-rxn:4:221985:226299,Cn1cc(-c2nc3cnc(-c4ccc(OCC5CC5)cc4Cl)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,YWEXLRCCIXLBAU-OAQYLSRUSA-N
-rxn:4:222009:224572,CC1CCCN(c2ccc(-c3cnc(N4CCN(c5cc(C(F)F)nc(C6CC6)n5)CC4)nc3)c(C#N)c2)C1,LADHOWDXYMNFRO-UHFFFAOYSA-N
-rxn:4:222012:223640,CCOC12C(=O)c3cc(F)cc(-c4ccccc4C(=O)N4CCN(c5ccc(-n6cccn6)nn5)CC4)c3C(=O)C1C2(C)C,VZNPYOJXRBEBBC-UHFFFAOYSA-N
-rxn:4:222027:225725,CCOC(=O)c1ccc(C#N)c(-c2cc(C(F)(F)F)cnc2N2CCN(c3ccc(N(C)C)nn3)CC2)c1,UEYBSTZWWPJRQX-UHFFFAOYSA-N
-rxn:4:222056:224318,CN1CCN(C(=O)c2ccc(-c3cnc(N4CCN(c5cc(C(C)(C)C)nc(C6CC6)n5)CC4)nc3)cc2F)CC1,HTHYJMDUPOHWON-UHFFFAOYSA-N
-rxn:4:222062:226662,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(N5CCN(C)CC5)s4)cc3)CC2)n1,PZLZHRSIRLTFLB-UHFFFAOYSA-N
-rxn:4:222062:228524,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc5c(c4)CCC5)cc3)CC2)n1,YPVRNGWMPQEFTB-UHFFFAOYSA-N
-rxn:4:222062:229049,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc5n4CCC5)cc3)CC2)n1,LYQDHWOJQOTCKO-UHFFFAOYSA-N
-rxn:4:222062:229057,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnn(C5CC5)c4)cc3)CC2)n1,ZPJBZHTUBPYWTA-UHFFFAOYSA-N
-rxn:4:222088:223553,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)c3)cc2)cc1,POVXHJIXGKWGFH-UHFFFAOYSA-N
-rxn:4:222089:222709,CC(C)(C)NC(=O)c1cc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)cc([N+](=O)[O-])c1,SLXQCWCDXFPSPV-UHFFFAOYSA-N
-rxn:4:222102:223570,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6c(F)ncc7c6ccn7[Si](C(C)C)(C(C)C)C(C)C)cc5)no4)C3C2=O)cc1,AAEDPHFMWGSWAA-UHFFFAOYSA-N
-rxn:4:222108:225999,COC(=O)c1ccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c([N+](=O)[O-])c1,MTPFKTQYNIHBFF-UHFFFAOYSA-N
-rxn:4:222152:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2cnc(N3CCC(N(C)c4ncc(Cl)cn4)CC3)nc2)c1F,MIBBWWFTXNGCDJ-UHFFFAOYSA-N
-rxn:4:222161:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)nc3)ccc2OC)CC1,KIFLURXDSHCKQZ-UHFFFAOYSA-N
-rxn:4:222161:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)nc3)c2)CC1,LAMAVHBKRUANSO-UHFFFAOYSA-N
-rxn:4:222161:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)nc3)c2)CC1,GLPYNFUSVTVNDB-UHFFFAOYSA-N
-rxn:4:222161:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)nc3)cc2)CC1,FTXSAVXOUDDSMZ-UHFFFAOYSA-N
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-rxn:4:222781:174441,Cc1ccc(-c2cnc(C)cc2NC(=O)OC(C)(C)C)c(OC2(C(=O)OC(C)(C)C)CC2)c1,FSWCWOZMQSTEEC-UHFFFAOYSA-N
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-rxn:4:222820:189506,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2CN2CC(F)(F)C2)cc1F,RYOMNCUUVGSZJY-UHFFFAOYSA-N
-rxn:4:222821:185469,CC(C)(C)NS(=O)(=O)c1cc(-c2cc3ccn(C(=O)OC(C)(C)C)c3cc2OC(F)(F)F)ccc1F,FMRMACMIIWCKJQ-UHFFFAOYSA-N
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-rxn:4:222910:187633,CCCNS(=O)(=O)c1ccc(-c2cccc(C3(C)CN(C(=O)OC(C)(C)C)CCO3)c2)c(C)c1,AOZYEIOCRWALRA-UHFFFAOYSA-N
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-rxn:4:222960:178594,Cc1cc(-c2cc(Cl)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)cc(C2CCNCC2)c1,XXOMMGXRTIVUDS-UHFFFAOYSA-N
-rxn:4:223102:187211,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C2(F)CN(C(=O)OC(C)(C)C)C2)cc1,WIEIPUHADPQBRH-UHFFFAOYSA-N
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-rxn:5:176853:225611:223062,COC(=O)c1cc(-c2ccc(N3CCCC3)cc2OC)c(-c2cnc(C3CCNCC3)cc2F)cc1OC,CROZBWZAARUSRQ-UHFFFAOYSA-N
-rxn:5:176863:225638:225515,COC(=O)c1cc(-c2ccc(N3CCC(C)CC3)nc2)cc(OC)c1-c1cccc2c1OCC(C)(C)CO2,SDMVNHQPZVPBHK-UHFFFAOYSA-N
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-rxn:5:177187:222987:223065,CCOC(=O)c1cc(C)cc(-c2ccc(C3CCNCC3)nc2C)c1-c1ccc(N2CCNCC2)cc1F,CMCBNPUHKNMWJU-UHFFFAOYSA-N
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-rxn:5:177729:223064:225637,CN1CCN(c2ccccc2-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2C(=O)OC(C)(C)C)CC1,YZPDVXWTJNUWDT-UHFFFAOYSA-N
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-rxn:5:177737:225439:226649,CC(c1cccc(-c2ccc(-c3cccnc3N3CCOCC3)cc2C(=O)OC(C)(C)C)c1)N1CCCC1,IARCTLGYQGDLBK-UHFFFAOYSA-N
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-rxn:5:177891:227449:223295,CS(=O)(=O)Nc1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCOCC3)s2)c1,LEHKYHGXFDZCFP-UHFFFAOYSA-N
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-rxn:5:178119:227387:222994,Cc1cc(C(=O)OC(C)(C)C)cc(-c2ccnc(N3CCCC3)c2)c1-c1cccc(N2CCC(O)CC2)c1,ASCAWDMIVLQOTC-UHFFFAOYSA-N
-rxn:5:178120:222988:227505,Cc1cc(-c2cccc(OCC3CCOCC3)c2-c2ccc(/C=C/[N+](=O)[O-])cc2)cc(C2CCNCC2)n1,XYKFSIKQASHQEZ-LFIBNONCSA-N
-rxn:5:178121:223139:227803,CN(C)S(=O)(=O)n1nccc1-c1cccc(OCC2CCOCC2)c1-c1ccc(C2CCNCC2)nc1,GNJAFAUIHJOAEX-UHFFFAOYSA-N
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-rxn:5:178225:223201:226898,Cc1nn(S(=O)(=O)N(C)C)cc1-c1c(OCC2CCCCC2)cccc1-c1ccccc1C1CCNC1,HMBJXEKLSYDHQV-UHFFFAOYSA-N
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-rxn:5:178295:223345:226137,COC(=O)C1(c2cc(-c3cc(C4CC4)cnc3C(C)C)ccc2-c2cccc3c2NC(=O)C3)CCC(=O)CC1,LSZMSFPEOMWVHC-UHFFFAOYSA-N
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-rxn:5:178295:227815:227115,CCC(C)c1ccccc1-c1ccc(-c2cc(C)c(C3CC3)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,ZVOWDWLRASDSGE-UHFFFAOYSA-N
-rxn:5:178295:228268:227052,COC(=O)C1(c2cc(-c3ccc(SC(C)(C)C)cc3)ccc2-c2ccc(C)c(F)c2SC)CCC(=O)CC1,VGDCTWCYAXCJKW-UHFFFAOYSA-N
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-rxn:5:178295:228419:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(F)c(SC)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,FWGWUJSGMHVTHV-UHFFFAOYSA-N
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-rxn:5:178313:225498:226064,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCCC3)ccc2F)c(-c2ccc(C3CCCCC3)cc2)c1,OYFZAOPHRCPWGA-UHFFFAOYSA-N
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-rxn:5:178313:226064:226432,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C3CCCCC3)cc2)c(-c2ccc(C3CCCC3)nc2F)c1,BUUBQGOXGNHYQW-UHFFFAOYSA-N
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-rxn:5:178313:226155:226146,CC(=O)c1cc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc(SC3CCCC3)cc2)cc(C2CC2)c1,RWIIBUHVMZENLV-UHFFFAOYSA-N
-rxn:5:178313:226891:223173,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C(F)(F)F)cc(F)c2F)c(-c2ccc3c(c2)C(O)CS3(=O)=O)c1,ACFAARBQXDFJJB-UHFFFAOYSA-N
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-rxn:5:178313:227416:225498,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(F)nc(C3CCC3)c2)c(-c2cc(C3CCCCC3)ccc2F)c1,YRHRQZRKMFBQFA-UHFFFAOYSA-N
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-rxn:5:178314:225453:227107,Cc1cc(-c2ccc(-c3cccc(SC4CCCCC4)c3)cc2O[Si](C)(C)C(C)(C)C)c(F)c(C2CC2)c1,YFFHSGZGJUXDGG-UHFFFAOYSA-N
-rxn:5:178314:226069:225499,CC(C)(C)[Si](C)(C)Oc1cc(-c2cccc(C3CCCCC3)c2)ccc1-c1ccc(C2CCCCC2)cc1F,BFAKCVLECVVHJL-UHFFFAOYSA-N
-rxn:5:178314:227119:226190,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCCCC3)cs2)ccc1-c1ccc(C2CCCC2)cc1F,RUZAQMXFRFVEKG-UHFFFAOYSA-N
-rxn:5:178315:225407:227113,Cc1cc(F)c(C2CC2)cc1-c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc(C3CCCCCC3)cc2)c1,WBTZWEJLXBKOCQ-UHFFFAOYSA-N
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-rxn:5:178353:226572:223062,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(C4CCNCC4)cc3F)c(C)c2)c(C)cc1-c1cnc(OC2CCCC2)nc1,XAPULHSPTMRYJK-UHFFFAOYSA-N
-rxn:5:178353:226794:226429,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCCC(C)C4)s3)c(C)c2)c(C)cc1-c1cnc(N2CCSCC2)nc1,AMVQZKOJMJIKIR-UHFFFAOYSA-N
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-rxn:5:178467:223064:228339,CCOC(=O)C1=Cc2cc(-c3ccncc3C(=O)OC)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,JPKRCEVCJXTHDB-UHFFFAOYSA-N
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-rxn:5:178467:225978:223066,CCOC(=O)C1=Cc2cc(-c3ccc4c(C(=O)OC)n[nH]c4c3)cc(-c3ccc(N4CCOCC4)nc3F)c2OC1,KSNPTVMEAZJLPH-UHFFFAOYSA-N
-rxn:5:178467:225982:228653,CCOC(=O)C1=Cc2cc(-c3cnn4c3CCCC4)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,XMWYLZXXZRAUSA-UHFFFAOYSA-N
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-rxn:5:178467:227387:225637,CCOC(=O)C1=Cc2cc(-c3ccccc3N3CCN(C)CC3)cc(-c3ccnc(N4CCCC4)c3)c2OC1,QULUIFNXLNHVLP-UHFFFAOYSA-N
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-rxn:5:178467:227970:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3ccncc3C(C)(C)C)c2OC1,LMIVONVIRKQZRT-UHFFFAOYSA-N
-rxn:5:178467:227971:225833,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cnccc3C(C)(C)C)c2OC1,BAYCXEGDRINCPW-UHFFFAOYSA-N
-rxn:5:178467:228327:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cnc(OC)c(OC)c3)c2OC1,KFVUWDNGTZNEMW-UHFFFAOYSA-N
-rxn:5:178467:228878:226661,CCOC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3cnn(C4COC4)c3)c2OC1,PMSXOFOXAYKHDV-UHFFFAOYSA-N
-rxn:5:179418:225581:223054,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(CN3CCOCC3)cc2)s1)N1CCC(O)C1,IHTGNOZZVOBHNY-UHFFFAOYSA-N
-rxn:5:179418:225805:225452,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2ccc(OC3C=CCCC3)cc2)s1)N1CCOCC1,YTUOBBCIJQNIJX-UHFFFAOYSA-N
-rxn:5:179418:225805:225623,CC(c1ccc(-c2cc(CS(C)(=O)=O)ccc2-c2cccc(OC3CCOCC3)c2)s1)N1CCOCC1,ZEWJINQQSJNTNR-UHFFFAOYSA-N
-rxn:5:179629:225611:222989,COc1cc(N2CCCC2)ccc1-c1ccc(OC)c(-c2ccc(N3CCNCC3)cc2C)c1S(C)(=O)=O,NGUORCXUELYJOX-UHFFFAOYSA-N
-rxn:5:179629:226583:226424,COc1ccc(-c2ccc(CN3CCOCC3)s2)c(S(C)(=O)=O)c1-c1cc(N2CCCC(C)C2)cs1,ZFSOPHSXSUYZGZ-UHFFFAOYSA-N
-rxn:5:180021:226148:222984,COc1c(-c2ccc(CN3CCC(O)C3)cc2)cc(C2OCCO2)cc1-c1cccc(C#C[Si](C)(C)C)c1,GFELKFMWJSTNKO-UHFFFAOYSA-N
-rxn:5:180021:227449:225986,COc1c(-c2ccc(C3CCOCC3)s2)cc(C2OCCO2)cc1-c1ccccc1N1CCCS1(=O)=O,WOOLLZHQFBYZOS-UHFFFAOYSA-N
-rxn:5:180022:225805:225985,COc1c(-c2cccc(N3CCCS3(=O)=O)c2)ccc(-c2ccc(C(C)N3CCOCC3)s2)c1C1OCCO1,BJAWQBYRBQYOIB-UHFFFAOYSA-N
-rxn:5:180092:225849:225982,C[Si](C)(C)C#Cc1cc(-c2cnc(N3CCCCC3)cc2F)cc(-c2cnc(N3CCOCC3)cc2F)c1,GSLJYZSVCAGFBV-UHFFFAOYSA-N
-rxn:5:180267:225985:225814,CSc1cc(C(C)(C)C)cc(-c2cccc(N3CCCS3(=O)=O)c2)c1-c1cccc(C2(C(F)(F)F)CC2)c1,UXCONPKKELPBNA-UHFFFAOYSA-N
-rxn:5:180267:226898:225927,CSc1cc(C(C)(C)C)cc(-c2cn(S(=O)(=O)N(C)C)nc2C)c1-c1cc(C(F)(F)F)ccc1N(C)C,DAKXZBZDEOAIFC-UHFFFAOYSA-N
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-rxn:5:180402:225507:227071,COCc1cc(C)c(-c2cc(-c3ccc4c(c3)CCC4C(=O)OC)ccc2C(=O)C2CCCCC2)c(C)c1,ZICFNUKGZPZECI-UHFFFAOYSA-N
-rxn:5:180422:222989:227611,Cc1cc(N2CCNCC2)ccc1-c1ccc(CC2CCCCC2)cc1-c1ccnn1C1CCCCO1,PWDNWOUXKWWOLO-UHFFFAOYSA-N
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-rxn:5:180662:222989:223202,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCC4)cc3)cc(-c3ccc(N4CCNCC4)cc3C)c2OC1,IQMCWMBEYKWIEQ-UHFFFAOYSA-N
-rxn:5:180662:222989:223203,COC(=O)C1=Cc2cc(-c3cccc(C4(O)CCC4)c3)cc(-c3ccc(N4CCNCC4)cc3C)c2OC1,VXNQGHKGMVIUSS-UHFFFAOYSA-N
-rxn:5:180662:222990:226973,COC(=O)C1=Cc2cc(-c3ccc4c(c3)C(C)(C)CO4)cc(-c3ccc(N4CCC(O)CC4)cc3)c2OC1,HEVNGRPEGMCEQS-UHFFFAOYSA-N
-rxn:5:180662:223063:227019,COC(=O)C1=Cc2cc(-c3cccc(C(C)(C)C#N)c3)cc(-c3cc(F)nc(C4CCNCC4)c3)c2OC1,UYARONVNCJSEHF-UHFFFAOYSA-N
-rxn:5:180662:223064:227019,COC(=O)C1=Cc2cc(-c3cccc(C(C)(C)C#N)c3)cc(-c3ccc(C4CCNCC4)nc3F)c2OC1,DAOBBWVKRNGVAD-UHFFFAOYSA-N
-rxn:5:180662:223140:225601,COC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CCC4)cc3F)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,SXXGYSYTMZBAAE-UHFFFAOYSA-N
-rxn:5:180662:223146:226148,COC(=O)C1=Cc2cc(-c3cccc(C#C[Si](C)(C)C)c3)cc(-c3cccc(C4CNCCO4)c3)c2OC1,OWJUIDIEODZHPS-UHFFFAOYSA-N
-rxn:5:180662:223202:226662,COC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccc(C4(O)CCC4)cc3)c2OC1,QSUYSWDRVLQDEF-UHFFFAOYSA-N
-rxn:5:180662:223203:222989,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3C)cc(-c3cccc(C4(O)CCC4)c3)c2OC1,PKLMFPGVFGDFLE-UHFFFAOYSA-N
-rxn:5:180662:223203:226661,COC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3cccc(C4(O)CCC4)c3)c2OC1,YLQXFVFFHWQTAY-UHFFFAOYSA-N
-rxn:5:180662:223203:226662,COC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3cccc(C4(O)CCC4)c3)c2OC1,QIANWFKTWDOODP-UHFFFAOYSA-N
-rxn:5:180662:223281:225592,COC(=O)C1=Cc2cc(-c3cc(F)ccc3CN3CCCC3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,GEWMDCGWKSJCJB-UHFFFAOYSA-N
-rxn:5:180662:226572:223188,CNc1cc(C(F)(F)F)c(-c2cc3c(c(-c4cnc(OC5CCCC5)nc4)c2)OCC(C(=O)OC)=C3)cn1,MWMDLJIAENLETD-UHFFFAOYSA-N
-rxn:5:180662:226662:226661,COC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3ccc(N4CCN(C)CC4)s3)c2OC1,MMWSSOSHKRQREJ-UHFFFAOYSA-N
-rxn:5:180662:226959:226662,COC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccc4c(c3)CC(C)(C)O4)c2OC1,TZWFLZQLVFSWSK-UHFFFAOYSA-N
-rxn:5:180662:227019:223064,COC(=O)C1=Cc2cc(-c3ccc(C4CCNCC4)nc3F)cc(-c3cccc(C(C)(C)C#N)c3)c2OC1,PYTNLDWHUAFUQW-UHFFFAOYSA-N
-rxn:5:180662:227203:222989,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3C)cc(-c3ccc4c(c3)OCCCO4)c2OC1,LZCUDEGUXZWBGH-UHFFFAOYSA-N
-rxn:5:180662:227277:223062,COC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3ccc(N(C)C)c(C#N)c3)c2OC1,DJIKHAHVZJNAQW-UHFFFAOYSA-N
-rxn:5:180662:227325:226662,COC(=O)C1=Cc2cc(-c3ccc(N4CCN(C)CC4)s3)cc(-c3ccc(OC(C)(C)C)nc3)c2OC1,RTGBWAAHDNCNLG-UHFFFAOYSA-N
-rxn:5:180662:227710:222958,COC(=O)C1=Cc2cc(-c3ccc(C)c(C4CCNCC4)c3)cc(-c3ccc(OS(C)(=O)=O)cc3)c2OC1,WTVMCYDBWPNYEL-UHFFFAOYSA-N
-rxn:5:181904:225832:223141,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cncc(C2CCNCC2)c1,DVVOCEQODMGYOH-UHFFFAOYSA-N
-rxn:5:181907:225581:225683,Cc1cc(-c2ccc(CN3CCOCC3)cc2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,FUIUWXRSXROPPH-UHFFFAOYSA-N
-rxn:5:182011:225832:226174,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1ccc(C2CCCCC2)nc1,ZWKFYCLLKCHLFU-UHFFFAOYSA-N
-rxn:5:182011:225832:226187,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)cc1-c1cccc(C2CCOCC2)c1,FZCLCJKWAYEQCE-UHFFFAOYSA-N
-rxn:5:183228:225926:225611,COc1cc(N2CCCC2)ccc1-c1cc(-c2ccc(S(=O)(=O)N3CCC3)cc2)cc2c1OC(C)(C)CC2,UTCLMJOCUZIRMU-UHFFFAOYSA-N
-rxn:5:188447:223006:226067,COC(=O)c1c(-c2ccc(C3=CCCCC3)cc2)cc(-c2ccc(F)c(C3CCNCC3)c2)cc1[N+](=O)[O-],WTXZCIREELMONR-UHFFFAOYSA-N
-rxn:5:188459:226374:225454,COC(=O)c1cc([N+](=O)[O-])c(-c2cncnc2C2CCCCC2)cc1-c1ccc(C2=CCN(C)CC2)cc1,RVMKQZOOWVLDOD-UHFFFAOYSA-N
-rxn:5:188632:225632:223064,COC(=O)c1nc(OC)c(-c2cccc(N3CCN(C)CC3)c2)cc1-c1ccc(C2CCNCC2)nc1F,VIFKOZVHOOGILS-UHFFFAOYSA-N
-rxn:5:188633:222994:223062,COC(=O)c1c(-c2cccc(N3CCC(O)CC3)c2)cnc(OC)c1-c1cnc(C2CCNCC2)cc1F,IYUIUHRQUGRWHP-UHFFFAOYSA-N
-rxn:5:188633:225941:225605,COC(=O)c1c(-c2cnc(C3CC3)c(C(F)(F)F)c2)cnc(OC)c1-c1cc(C)cnc1OC1CCCC1,LKARIUCQWVKXQJ-UHFFFAOYSA-N
-rxn:5:188787:226324:223082,CNS(=O)(=O)c1c(C)cc(-c2cc(OC3CC3)c([N+](=O)[O-])cc2-c2cccnc2OC2CCCC2)cc1C,BARDWZBPRGSVBG-UHFFFAOYSA-N
-rxn:5:188868:225598:225593,CC(C)OC(=O)c1ccnc(-c2cc(F)cc(CN3CCCC3)c2)c1-c1cccc(CN2CCSCC2)c1,ARGULMRFEWZJRN-UHFFFAOYSA-N
-rxn:5:188872:225661:223062,CON(C)C(=O)c1cc(-c2ccc(N3CCOCC3)cc2C)ccc1-c1cnc(C2CCNCC2)cc1F,SMRGGWDXAIGMFU-UHFFFAOYSA-N
-rxn:5:188873:222986:223004,CON(C)C(=O)c1cc(-c2ccc(C3CCNCC3)c(F)c2)ccc1-c1cc(C)nc(C2CCCNC2)c1,QWGIZNPPVCQTJO-UHFFFAOYSA-N
-rxn:5:188874:222989:223002,CON(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)cc2F)cc1-c1ccc(N2CCNCC2)cc1C,DUNFLQBTEOCNSD-UHFFFAOYSA-N
-rxn:5:188874:225803:223062,CON(C)C(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccnc(OC2CCOCC2)c1,CNVKRFCFKUPKAZ-UHFFFAOYSA-N
-rxn:5:188876:223007:222989,CON(C)C(=O)c1cccc(-c2cc(F)cc(C3CCNCC3)c2)c1-c1ccc(N2CCNCC2)cc1C,GFMVTSXTDQFYIS-UHFFFAOYSA-N
-rxn:5:188930:225639:223139,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)cc1-c1ccc(C2CCNCC2)nc1,NEHKXPCXLCVZPW-UHFFFAOYSA-N
-rxn:5:188930:226139:226139,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CC3)cnc2C2CC2)cc1-c1cc(C2CC2)cnc1C1CC1,WSKDCGOBIUKNOT-UHFFFAOYSA-N
-rxn:5:188931:222958:223063,COC(=O)c1cc(-c2ccc(C)c(C3CCNCC3)c2)cc(S(N)(=O)=O)c1-c1cc(F)nc(C2CCNCC2)c1,CYOBTEVRKSIZQA-UHFFFAOYSA-N
-rxn:5:188932:225803:225600,COC(=O)c1cc(-c2ccnc(OC3CCOCC3)c2)c(S(N)(=O)=O)c(-c2cccnc2OC2CCCCC2)c1,KZLACPRZWSIRBS-UHFFFAOYSA-N
-rxn:5:189211:227408:227278,N#CC1(c2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3cc(C4CCC4)ncc3F)cn2)CC1,GWWYIELJCCWHLJ-UHFFFAOYSA-N
-rxn:5:189320:226649:225607,CC(c1ccc(-c2ncc(C(=O)OC(C)(C)C)cc2-c2cccnc2N2CCOCC2)s1)N1CCCCC1,YWIQTFFFGNARNY-UHFFFAOYSA-N
-rxn:5:189322:226645:223054,CC(c1ccc(-c2ncc(-c3ccnc(N4CCOCC4)c3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,VTLDOXSUTYEYHJ-UHFFFAOYSA-N
-rxn:5:189337:225448:225884,COc1c(-c2ccc(C3COCCO3)c(F)c2)cc(C(=O)N(C)C)cc1-c1cc(C)ccc1OC1CCCC1,WFICCKDALCZOAD-UHFFFAOYSA-N
-rxn:5:189512:226661:223004,CN1CCN(c2csc(-c3ccc([N+](=O)[O-])c(S(=O)(=O)c4cccc(-c5ccc(C6CCNCC6)c(F)c5)c4)c3)c2)CC1,RAKSAMZOUQZIHX-UHFFFAOYSA-N
-rxn:5:189667:225407:226916,CC(C)(C)[S@](=O)/N=C/c1cc(-c2ccc(C3CCCCCC3)cc2)cc(-c2cccc(C3=CCCC3)c2)c1,MGTCAFFIEMLHFB-AGWVKNLESA-N
-rxn:5:189670:226751:226663,Cc1cc(OC(F)(F)F)ccc1-c1ccc(-c2ccc(N3CCSCC3)nc2)c(/C=N/S(=O)C(C)(C)C)c1,XCFAGLLOZGYZJV-DPNNOFEESA-N
-rxn:5:189672:226919:225407,CC(C)(C)S(=O)/N=C/c1cccc(-c2cccc(C3CCCC3)c2)c1-c1ccc(C2CCCCCC2)cc1,GVIFDJILXZXTGU-YRRMYEEHSA-N
-rxn:5:189676:225435:227052,CC(C)(C)Sc1ccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2ccccc2CN2CCCCC2)cc1,UAWPSAVQMPDLAM-UHFFFAOYSA-N
-rxn:5:189676:227052:225394,CC(C)(C)Sc1ccc(-c2cc(CC(=O)N3CCCC3)ccc2-c2cc(C3CCC3)cc(C3CC3)c2)cc1,MVIVHGDSMSQQRD-UHFFFAOYSA-N
-rxn:5:189718:228210:223164,O=[N+]([O-])c1cc(-c2cc(F)c(F)c(NC3CC3)c2)c(-c2ccc(N3CCCC3)s2)cc1OC1CCOCC1,YXWPPFULIDARFE-UHFFFAOYSA-N
-rxn:5:189718:228383:226661,Cc1cc(-c2cc(OC3CCOCC3)c([N+](=O)[O-])cc2-c2cc(N3CCN(C)CC3)cs2)cnc1C(F)F,IKJFPNOFXVKPMC-UHFFFAOYSA-N
-rxn:5:189829:226335:222414,COc1c(-c2ccc(C3COC3)c(C#N)c2)cc(C(=O)N2CCCC2)cc1-c1cc(C)ccc1S(N)(=O)=O,QUHYLEOWZOMFAV-UHFFFAOYSA-N
-rxn:5:189909:225803:223113,CC1(C)C(=O)Nc2ccc(-c3ccc(-c4ccnc(OC5CCOCC5)c4)c(CCN4CCOCC4)c3)cc21,CPCGFGFVIPGGHM-UHFFFAOYSA-N
-rxn:5:189952:222417:223061,COc1c(-c2cc(C3CCNCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,QVNILNJNSDYRSX-UHFFFAOYSA-N
-rxn:5:189952:222981:227799,COc1c(-c2ccnc(NC3CCCCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1cnc(C(F)(F)F)c(F)c1,RSAJTKIKEOSLSQ-UHFFFAOYSA-N
-rxn:5:189952:225976:223113,COc1c(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,DYGVGHYXDZVWNE-UHFFFAOYSA-N
-rxn:5:190000:227045:225407,CC(C)(C)Sc1cccc(-c2cc(-c3ccc(C4CCCCCC4)cc3)ccc2CC(=O)N2CCCCC2)c1,ZYRYAGYNLJUITM-UHFFFAOYSA-N
-rxn:5:190001:226771:225880,COC(=O)c1cc(F)c(F)cc1-c1cc(CC(=O)N2CCCCC2)ccc1-c1cc(C2CCOCC2)ncc1F,UDCQJRHTBNBMIC-UHFFFAOYSA-N
-rxn:5:190001:226907:226148,C[Si](C)(C)C#Cc1cccc(-c2ccc(CC(=O)N3CCCCC3)cc2-c2cccc3c2CCC32CC2)c1,PSKNLUPWNHAKPX-UHFFFAOYSA-N
-rxn:5:190097:225934:226731,CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(C(F)(F)F)c(C3CC3)c2)cc1CCN1CCCCC1,QQDIRTLMXKWTOT-UHFFFAOYSA-N
-rxn:5:190128:226146:228126,COc1ccc(-c2cc(C(=O)N3CCC(OC)CC3)ccc2-c2ccc(SC3CCCC3)cc2)c(C#N)c1,VCOFVACDWGXWCK-UHFFFAOYSA-N
-rxn:5:190131:225655:227943,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCCCC2)cc1-c1cc(C)ccc1N(C)C,UAVNKPKBPRCCMK-UHFFFAOYSA-N
-rxn:5:190132:226146:227911,CCc1ccc(-c2cc(-c3ccc(SC4CCCC4)cc3)ccc2C(=O)N2CCC(OC)CC2)cc1C#N,AZQFMOPJTUYPLT-UHFFFAOYSA-N
-rxn:5:190132:226149:227052,COc1ccc(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(SC(C)(C)C)cc3)c2)cc1C(C)(C)C,BQXOPQOQHMPMLK-UHFFFAOYSA-N
-rxn:5:190132:227562:227052,COc1ccc(F)c(-c2ccc(C(=O)N3CCC(OC)CC3)c(-c3ccc(SC(C)(C)C)cc3)c2)c1OC,GIVOEPHCJBLSOF-UHFFFAOYSA-N
-rxn:5:190194:226794:227710,COC1CCN(Cc2cccc(-c3cnc(N4CCSCC4)nc3)c2-c2ccc(OS(C)(=O)=O)cc2)CC1,FTLQAHOBEABAKR-UHFFFAOYSA-N
-rxn:5:190194:227710:226662,COC1CCN(Cc2cccc(-c3ccc(OS(C)(=O)=O)cc3)c2-c2ccc(N3CCN(C)CC3)s2)CC1,GMGKIPDZRMGDBU-UHFFFAOYSA-N
-rxn:5:190195:223061:226664,CN(Cc1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2cc(N3CCCC3)ncc2F)c1)C1CCOCC1,ZVTCSVGHFHOFMM-UHFFFAOYSA-N
-rxn:5:190195:223141:227376,CN(Cc1ccc(-c2cncc(C3CCNCC3)c2)c(-c2cncc(N3CCCC3)c2)c1)C1CCOCC1,PDXXBROHVVYLPQ-UHFFFAOYSA-N
-rxn:5:190195:225784:222417,CC(C)c1[nH]c(=O)ncc1-c1cc(CN(C)C2CCOCC2)ccc1-c1ccc(CN2CCOCC2)nc1,OIRDXSPGAMWBGV-UHFFFAOYSA-N
-rxn:5:190195:226759:225871,COc1cc(-c2ccc(CN(C)C3CCOCC3)cc2-c2cccc(N3C(=O)C=CC3=O)c2)cc(C(F)(F)F)c1,VSVMKGRQDULESX-UHFFFAOYSA-N
-rxn:5:190196:228374:226045,Cc1cc([N+](=O)[O-])ccc1-c1ccc(CN(C)C2CCOCC2)c(-c2ccc(C(F)(F)C(F)(F)F)nc2)c1,QXMVMLLCNHUBJD-UHFFFAOYSA-N
-rxn:5:190199:222417:223056,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1CN(C)C1CCOCC1,ZUUSISSLEZUKAU-UHFFFAOYSA-N
-rxn:5:190199:222417:225803,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccnc(OC3CCOCC3)c2)cc1CN(C)C1CCOCC1,KPVHXYILCMIFFM-UHFFFAOYSA-N
-rxn:5:190199:223061:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2cc(C3CCNCC3)ncc2F)c(CN(C)C2CCOCC2)c1,JOBKRFLNSLCUSJ-UHFFFAOYSA-N
-rxn:5:190200:226663:225451,CN(Cc1cc(-c2ccc(SC3CCCCC3)cc2)cc(-c2ccc(N3CCSCC3)nc2)c1)C1CCOCC1,JTQJPOIHVDSNOO-UHFFFAOYSA-N
-rxn:5:190264:227038:225661,COc1ccc(C(C)C)cc1-c1cc(CC(=O)N2CCC(C)CC2)ccc1-c1ccc(N2CCOCC2)cc1C,YEJKTSRIUWRBTQ-UHFFFAOYSA-N
-rxn:5:190264:227591:227525,CCc1cnc(C(F)F)cc1-c1ccc(CC(=O)N2CCC(C)CC2)cc1-c1ccc(C(F)F)cc1OC,YKAKKGAROTUCRH-UHFFFAOYSA-N
-rxn:5:190264:227695:226062,COc1cc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cc(C(C)C)cc(C(C)C)c2)cc([N+](=O)[O-])c1,QEMAXBNOWJQFMI-UHFFFAOYSA-N
-rxn:5:190265:229062:223062,CC1CCCN(C(=O)Cc2ccc(-c3cnc(C4CCNCC4)cc3F)c(-c3ccc(C#N)n3C)c2)C1,SPEKIRCYPSPYQD-UHFFFAOYSA-N
-rxn:5:190299:226028:228305,COc1ccc(-c2ccc(C(F)(F)F)c(C#N)c2F)cc1C=C1SC(=O)N(c2ccc(-c3cnc(OC(C)C)cn3)cc2)C1=O,WUNZDFOVIKWCDS-UHFFFAOYSA-N
-rxn:5:190307:225886:225498,CC1CCN(CCc2cc(-c3ccc4c(ccn4S(C)(=O)=O)c3)ccc2-c2cc(C3CCCCC3)ccc2F)CC1,HPCFDUYQZIQQEZ-UHFFFAOYSA-N
-rxn:5:190309:226573:227657,Cc1nc(OC(C)(C)C)ncc1-c1ccc(-c2ccc(N3CCOCC3)s2)c(CCN2CCCCC2C)c1,SXUHXLGBHJCZMJ-UHFFFAOYSA-N
-rxn:5:190336:223377:227304,COc1c(-c2cnc3c(c2)CC(=O)N3)cc(C(=O)N2CCCC(C)C2)cc1-c1cnc(OC(C)C)cc1C,WTURVOVWOBLAAT-UHFFFAOYSA-N
-rxn:5:190337:227802:228018,COc1c(-c2cc(F)cc(C3CC3)c2)cc(C(=O)N2CCC(C)CC2)cc1-c1c(F)c(F)c(F)c(F)c1F,KGZHMFABVBLSON-UHFFFAOYSA-N
-rxn:5:190484:223146:223312,O=C(c1cccc(-c2cccc(C3CNCCO3)c2)c1)N1CCC(c2ccccc2-c2ccc(C3CNC3)cc2)S(=O)(=O)CC1,CXVYOKVUGAIFTI-UHFFFAOYSA-N
-rxn:5:190484:226914:228220,Cc1cc(CC(C)C)ccc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(C(C)C)ncc3F)S(=O)(=O)CC2)c1,SFSBFYOMJHHWLX-UHFFFAOYSA-N
-rxn:5:190484:227076:226068,CCC(C)c1ccc(F)c(-c2cccc(C(=O)N3CCC(c4ccccc4-c4c(C)cc(C(C)(C)C)cc4C)S(=O)(=O)CC3)c2)c1,CQSKQBATACKPIA-UHFFFAOYSA-N
-rxn:5:190484:227309:227102,CCC(C)c1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)(C)C)ccc4F)S(=O)(=O)CC3)c2)cc(F)n1,ZJUIDHQWZBEWBH-UHFFFAOYSA-N
-rxn:5:190484:227956:225823,Cc1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(C(C)C)cc(C(F)(F)F)c4)S(=O)(=O)CC3)c2)cc(C(C)C)n1,VFKFVGPGRLIGAH-UHFFFAOYSA-N
-rxn:5:190484:228308:227492,CCOc1ncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4c(OC)ncnc4C4CC4)S(=O)(=O)CC3)c2)c(C)n1,OMRJBGFKVKUTGL-UHFFFAOYSA-N
-rxn:5:190484:228592:225601,CC(C)c1cncc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4ccc(C5(C#N)CCC5)cc4F)S(=O)(=O)CC3)c2)c1,LPMSOLUJPSDKLF-UHFFFAOYSA-N
-rxn:5:190711:223065:226662,CCOC(=O)c1c(-c2ccc(N3CCN(C)CC3)s2)c2cc(-c3ccc(N4CCNCC4)cc3F)ccc2n1C,AUZIATLOWJVRPG-UHFFFAOYSA-N
-rxn:5:190712:225834:222987,CCOC(=O)c1c(-c2cc(N3CCCCC3)ncc2F)c2cc(-c3ccc(C4CCNCC4)nc3C)ccc2n1C,IFDHXJMGLDYRFJ-UHFFFAOYSA-N
-rxn:5:190740:222989:225982,CCOC(=O)c1cnc2c(C)cc(-c3ccc(N4CCNCC4)cc3C)cc2c1-c1cnc(N2CCOCC2)cc1F,FAJNZMPWBOWZHV-UHFFFAOYSA-N
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-rxn:5:192234:225794:225440,COc1c(-c2ccc(C3(C#N)CCCC3)cc2)cc(-c2cnc(OC3CCCCC3)nc2)cc1S(N)(=O)=O,SCLWDIXXFBDJSD-UHFFFAOYSA-N
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-rxn:5:192236:223006:222987,COc1cc(-c2ccc(C3CCNCC3)nc2C)c(S(N)(=O)=O)cc1-c1ccc(F)c(C2CCNCC2)c1,UYYKWQAJEVBBOJ-UHFFFAOYSA-N
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-rxn:5:193228:225499:227510,CC(C)Oc1ccc(-c2cc(C(=O)N3CCSCC3)cc(-c3ccc(C4CCCCC4)cc3F)c2)c(F)n1,OZNOMXMNEJWVOT-UHFFFAOYSA-N
-rxn:5:193228:227021:222996,N#CC1(c2ccc(-c3cc(C(=O)N4CCSCC4)cc(-c4ccc(F)cc4C4CCCNC4)c3)cc2)CC1,ITSDIUXMKRJETR-UHFFFAOYSA-N
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-rxn:5:193229:225976:226395,O=C(c1cccc(-c2ccnc(N3CCOCC3)c2F)c1-c1cncc(N2CCCCC2)c1)N1CCOCC1,MWAVQCZEWQSWRZ-UHFFFAOYSA-N
-rxn:5:193230:227587:226037,COc1cc(-c2ccc(C(=O)N3CCOCC3)c(-c3ccc(C(F)(F)F)c(OC)c3F)c2)cc(F)c1OC,FCUXBAADZPITSL-UHFFFAOYSA-N
-rxn:5:193231:223063:225576,N#Cc1cc(-c2cc(-c3cc(F)nc(C4CCNCC4)c3)ccc2C(=O)N2CCSCC2)ccc1N1CCCC1,UMCDDUVBIOOPGZ-UHFFFAOYSA-N
-rxn:5:193333:226374:226686,Cc1cnn(C2CCCCO2)c1-c1cc(CN2CCOCC2)ccc1-c1cncnc1C1CCCCC1,BWAKEBWYQDYPRP-UHFFFAOYSA-N
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-rxn:5:193506:222985:223130,Cc1nc(C2CCCNC2)ccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(CN3CC(O)C3)cc2)c1,GKMUOLWVOYATPA-UHFFFAOYSA-N
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-rxn:5:193749:225672:227021,CC1CCCCN1C(=O)c1cc(-c2cc(F)nc(C3CCCCC3)c2)ccc1-c1ccc(C2(C#N)CC2)cc1,UCTSDKDUUKBGKE-UHFFFAOYSA-N
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-rxn:5:193756:225603:225886,CC1CCCCN1C(=O)c1ccc(-c2cccc(C3(C#N)CCC3)c2F)cc1-c1ccc2c(ccn2S(C)(=O)=O)c1,AWIGHHAWPJBIDH-UHFFFAOYSA-N
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-rxn:5:193866:226172:223287,CNS(=O)(=O)c1ccc(-c2cc(C3(N4CCC(=O)CC4)CC3)ccc2-c2cc(N3CCCC3)ccc2C)cc1,AUIYMMNKQCBMJP-UHFFFAOYSA-N
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-rxn:5:193871:223062:225640,CC1CCCCN1c1cc(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cnc(C3CCNCC3)cc2F)ccn1,YFYUVXGDJGUURX-UHFFFAOYSA-N
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-rxn:5:193972:229052:222987,CCCn1nccc1-c1cc(C)c(-c2ccc(C3CCNCC3)nc2C)cc1S(=O)(=O)N1CCCCCC1,JMQYRKYSACAXCE-UHFFFAOYSA-N
-rxn:5:194058:225831:225832,Cc1cc(-c2cc3c(OS(=O)(=O)[O-])c[nH]c3cc2-c2c(C)nn(C3CCCCO3)c2C)cnc1N1CCOCC1,LZNUNKVVXKTHSS-UHFFFAOYSA-M
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-rxn:5:194782:226414:229238,CSc1sccc1-c1ccc(-c2ccc(C3=NCCCO3)cc2)cc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2,DCGSAOHLGGEPSU-UHFFFAOYSA-N
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-rxn:5:194791:227073:228349,COc1cc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5cnn(C6CCOC6)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc(C2CC2)c1,OXMZDUUJXWRLOA-UHFFFAOYSA-N
-rxn:5:194791:228991:228472,CCCc1sccc1-c1ccccc1N1C(=O)C2C(c3ccc(-c4ccc(C(F)(F)F)nc4)cc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O,DODHYLNUYWHFHE-UHFFFAOYSA-N
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-rxn:5:196791:226679:225982,O=C1COCCN1c1cccc(-c2cnc(N3CCCC3)cc2F)c1-c1cnc(N2CCOCC2)cc1F,MGYDCEUHGMOYKB-UHFFFAOYSA-N
-rxn:5:196858:226571:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ncc1-c1cnn(CC2CCOCC2)c1,QCOZGAUIVPWMKK-UHFFFAOYSA-N
-rxn:5:196871:225832:227611,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnn2C2CCCCO2)cc1N1CCOCC1,KZVIHIPNAZMXBV-UHFFFAOYSA-N
-rxn:5:196969:222958:226898,Cc1ccc(-c2cnc(C3CCCCC3)cc2-c2cn(S(=O)(=O)N(C)C)nc2C)cc1C1CCNCC1,RUAKXIZDRAHEQR-UHFFFAOYSA-N
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-rxn:5:196977:225407:226686,Cc1cnn(C2CCCCO2)c1-c1cc(N2CCCCC2)ccc1-c1ccc(C2CCCCCC2)cc1,CLIJPVPZYUGPFW-UHFFFAOYSA-N
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-rxn:5:197876:225591:227046,Cc1cc(OC(C)C)cc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,UJLDPPDHQUKLJY-UHFFFAOYSA-N
-rxn:5:197876:225591:227059,COc1ccc(-c2cc3c(cc2-c2cc(CN4CCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1C(C)C,RDUJOJAJMLXNRQ-UHFFFAOYSA-N
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-rxn:5:197876:225625:228551,CCCc1ncccc1-c1cc2c(cc1-c1cc(OC3CCCC3)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,YKDLQADJFWDAJK-UHFFFAOYSA-N
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-rxn:5:197876:225679:228003,CSc1cc(C)c(-c2cc3c(cc2-c2ccc(N4CCCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(C)c1,WQOHBBYQSGXEMM-UHFFFAOYSA-N
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-rxn:5:197876:225815:227102,CC(C)(C)c1ccc(F)c(-c2cc3c(cc2-c2ccc(C4CC4)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,SKCXXNOSYXPAEV-UHFFFAOYSA-N
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-rxn:5:197876:226589:228182,CC(C)c1cnc(C(F)F)cc1-c1cc2c(cc1-c1cccc(CC(F)F)c1)C(=O)N(C(C)(C)C)S2(=O)=O,GXPAYFIHJKZEAQ-UHFFFAOYSA-N
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-rxn:5:197876:226594:227819,CCc1cc(CC)cc(-c2cc3c(cc2-c2c(F)cc(OC(C)C)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,ZYMPFVJTUBQERC-UHFFFAOYSA-N
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-rxn:5:197876:226745:228628,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C3CCC3)cs1)C(=O)N(C(C)(C)C)S2(=O)=O,GGEPAAWBXOZKCF-UHFFFAOYSA-N
-rxn:5:197876:226762:227066,CSc1cc(-c2cc3c(cc2-c2cccc(C(=O)C4CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C(F)(F)F)c1,ICPFCHKFAIAFHR-UHFFFAOYSA-N
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-rxn:5:197876:226912:227450,Cc1cc(CC(C)C)cc(-c2cc3c(cc2-c2cccc(C4CC4(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1,QHXMWMHRRLJUEO-UHFFFAOYSA-N
-rxn:5:197876:226913:227589,CCc1cc(-c2cc3c(cc2-c2cc(C)cc(OC(F)F)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc(C2CC2)c1,WREXGTCPDIIHNU-UHFFFAOYSA-N
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-rxn:5:197876:226974:227079,CC(C)Cc1ccc(F)c(-c2cc3c(cc2-c2ccc4c(c2)COC4(C)C)S(=O)(=O)N(C(C)(C)C)C3=O)c1,BYBGPOHYZANNPT-UHFFFAOYSA-N
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-rxn:5:197876:227079:225507,COC(=O)C1CCc2cc(-c3cc4c(cc3-c3cc(CC(C)C)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,CKTJQYILEBDCFF-UHFFFAOYSA-N
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-rxn:5:197876:227102:226426,CC1CCN(c2ccc(-c3cc4c(cc3-c3cc(C(C)(C)C)ccc3F)S(=O)(=O)N(C(C)(C)C)C4=O)s2)CC1,AGEOVOVZLDVASO-UHFFFAOYSA-N
-rxn:5:197876:227102:226745,CCc1ncc(C(F)(F)F)cc1-c1cc2c(cc1-c1cc(C(C)(C)C)ccc1F)S(=O)(=O)N(C(C)(C)C)C2=O,GXXWWKZIJFRIBQ-UHFFFAOYSA-N
-rxn:5:197876:227107:227346,CCCc1cc(F)c(-c2cc3c(cc2-c2cc(C)cc(C4CC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,GXSCGFQKKCKUCC-UHFFFAOYSA-N
-rxn:5:197876:227108:227107,Cc1cc(-c2cc3c(cc2-c2cc(C4CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c(C2CC2)c1,USULWRZTGPIZPE-UHFFFAOYSA-N
-rxn:5:197876:227108:227302,Cc1cc(-c2cc3c(cc2-c2cc(C4CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cnc1OC(C)C,HCBOJJCMYXODRO-UHFFFAOYSA-N
-rxn:5:197876:227124:225464,CC1CCCN(c2cccc(-c3cc4c(cc3-c3ccc(C(C)(C)C)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)c2)C1,RCVAGERGCKCNPR-UHFFFAOYSA-N
-rxn:5:197876:227124:226190,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)cc2F)C(=O)N(C(C)(C)C)S3(=O)=O)c(F)c1,MHNVZRQBWISZRU-UHFFFAOYSA-N
-rxn:5:197876:227124:226429,CC1CCCN(c2ccc(-c3cc4c(cc3-c3ccc(C(C)(C)C)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)s2)C1,UKQKKHBQJOOXTQ-UHFFFAOYSA-N
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-rxn:5:197876:227302:227680,Cc1cc(-c2cc3c(cc2-c2cccc4c2OC(F)(F)O4)C(=O)N(C(C)(C)C)S3(=O)=O)cnc1OC(C)C,CXCPMPCZASYDCP-UHFFFAOYSA-N
-rxn:5:197876:227314:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2ccc(CC(C)C)nc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,ABWDKBDFUZMPCP-UHFFFAOYSA-N
-rxn:5:197876:227385:227660,Cc1ccc(C(F)(F)F)cc1-c1cc2c(cc1-c1cnc(C(C)(C)C)nc1C)S(=O)(=O)N(C(C)(C)C)C2=O,FBTJAPGTBAZGAO-UHFFFAOYSA-N
-rxn:5:197876:227409:226349,CC(C)(C)Oc1cc(F)cc(-c2cc3c(cc2-c2cc(C(C)(C)C)ncc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,FBAMHLVMVRUUTK-UHFFFAOYSA-N
-rxn:5:197876:227412:227289,CC(C)(C)Oc1ncccc1-c1cc2c(cc1-c1cnc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,DKRSUWFXQZOWCF-UHFFFAOYSA-N
-rxn:5:197876:227415:227766,CCn1nc(C(F)(F)F)cc1-c1cc2c(cc1-c1ccc(C(C)(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,MGAWPGXXPPBSQQ-UHFFFAOYSA-N
-rxn:5:197876:227447:227077,CCC(C)c1ccc(-c2cc3c(cc2-c2c(F)ccc(C4CC4)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)c1,ALXLMIKGTBMDGA-UHFFFAOYSA-N
-rxn:5:197876:227510:225461,Cc1cc(N2CCCCC2)ccc1-c1cc2c(cc1-c1ccc(OC(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PGJSSSWBBFEDRF-UHFFFAOYSA-N
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-rxn:5:197876:227661:226918,Cc1cc(C(F)(F)F)ccc1-c1cc2c(cc1-c1ccc(C3=CCCC3)cc1)C(=O)N(C(C)(C)C)S2(=O)=O,HHSAPFSEKUWNOO-UHFFFAOYSA-N
-rxn:5:197876:227673:226428,CC1CCCCN1c1csc(-c2cc3c(cc2-c2cccc(C(C)(F)F)c2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,AQKFSCDCCCQYES-UHFFFAOYSA-N
-rxn:5:197876:227702:226973,COC(=O)c1cnc(F)c(-c2cc3c(cc2-c2ccc4c(c2)C(C)(C)CO4)C(=O)N(C(C)(C)C)S3(=O)=O)c1,JLRJEZHEXPZLIL-UHFFFAOYSA-N
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-rxn:5:197876:227752:226974,CC1(C)OCc2cc(-c3cc4c(cc3-c3ccc(C(F)(F)F)cc3F)S(=O)(=O)N(C(C)(C)C)C4=O)ccc21,YEUXCKDDCOTBBW-UHFFFAOYSA-N
-rxn:5:197876:227758:227409,CC(C)(C)c1cc(-c2cc3c(cc2-c2cc(F)ccc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)c(F)cn1,NJXDRVPCSXGCSQ-UHFFFAOYSA-N
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-rxn:5:197876:227830:226844,CC1(c2ccc(-c3cc4c(cc3-c3ccnc(C(=O)C(F)(F)F)c3)C(=O)N(C(C)(C)C)S4(=O)=O)cc2)CC1,FSWSWKVKNIAHNL-UHFFFAOYSA-N
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-rxn:4:180724:223888,COC(=O)C1(C)Cc2ccc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cc2C(=O)O1,UIOYVGGPLQWKPO-UHFFFAOYSA-N
-rxn:4:180855:223696,CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cc31)c1cc(C(C)(C)C)ccc1-2,SKISYGWFMYAWTH-UHFFFAOYSA-N
-rxn:4:180945:223490,Cc1ccc(-c2ccc(C(F)F)cc2Cl)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,UJJJARDKGUQUDO-UHFFFAOYSA-N
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-rxn:4:183379:222781,Cc1cc(NC(=O)OC(C)(C)C)c(-c2cc3c(c4c2OC(C)(C)C=C4)OC(C)(C)OC3=O)cn1,PMCPWKISYKWSIU-UHFFFAOYSA-N
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-rxn:4:183519:225291,CCOC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1-c1ccc(C(F)(F)F)cc1OC(C)C,ORZPJSYNYGCSLI-UHFFFAOYSA-N
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-rxn:4:183668:224376,CN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc3)c2)CC1,FTAMMDYEKDIKIN-UHFFFAOYSA-N
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-rxn:4:183709:223866,CCN(CC)Cc1ccc(-c2ccccc2CN2C(C)(C)CCCC2(C)C)cc1C(=O)OC,GIBIJURYTJRNNR-UHFFFAOYSA-N
-rxn:4:183729:226842,O=C(COc1ccc(OC(F)(F)F)cc1-c1cncc(C(=O)C(F)(F)F)c1)N1CCOCC1,GMBCJTCEKGTTNQ-UHFFFAOYSA-N
-rxn:4:183751:224593,CCCOC(=O)CN1C(=O)C(=Cc2cccc(-c3ccc(F)c(CN4CCC(C)CC4)c3)c2)SC1=S,LPGMMFMHSLMLCB-UHFFFAOYSA-N
-rxn:4:183772:225514,O=C(COc1cc(OC(F)(F)F)ccc1-c1cccc2c1OCC1(CC1)CO2)N1CCCC(F)(F)C1,JTEOXHBUTHJNRD-UHFFFAOYSA-N
-rxn:4:183792:225047,CCN(Cc1cccc(F)c1-c1cnc(N2CCC(C)CC2)c(C)c1)C(=O)OC(C)(C)C,VZFYJRROWDUWKL-UHFFFAOYSA-N
-rxn:4:183794:225281,CCN(CC)C(C)(C(=O)OC)c1ccc(F)c(-c2cc(Cl)nc(C(=O)OC(C)(C)C)c2)c1,YGIRQIILYPBVHR-UHFFFAOYSA-N
-rxn:4:183817:223498,CC(C)N(CCOc1ccc(-c2ccc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)cc2)cc1)C(C)C,XOOAXYNPPHODQK-UHFFFAOYSA-N
-rxn:4:183827:222393,CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1-c1cccc(C(=O)N[C@H]2CC[C@H](O)CC2)c1)C1CC1,AQUWNJMBVUBDDJ-AFARHQOCSA-N
-rxn:4:183831:223071,CCS(=O)(=O)NCc1ccc(-c2cc(F)ccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1,CMGNCOCHPFFIOD-UHFFFAOYSA-N
-rxn:4:183834:222879,CC(C)(C)OC(=O)N(C1CC1)S(=O)(=O)c1ccccc1-c1c(Cl)cccc1NC(=O)C(C)(C)C,IHRZTSLVLXGYMF-UHFFFAOYSA-N
-rxn:4:183864:224587,COC(=O)CN1CCCC(COc2cccc(-c3ccc(CN4CCC(C)CC4)c(F)c3)c2)C1,PKYTXQNHIQTTQU-UHFFFAOYSA-N
-rxn:4:183880:222432,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)c4ccccc34)cc2F)C1,BXMFIEGJOPHGIZ-UHFFFAOYSA-N
-rxn:4:183885:224336,FC(F)(F)c1cc(N2CCCCC2)ccc1-c1ccccc1OCCCN1CCCC(C(F)(F)F)C1,NIVKXDDMIHXGIJ-UHFFFAOYSA-N
-rxn:4:183922:223922,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1-c1ccc(Cl)c(C(=O)N(C)C2CCCCC2)c1,BJSIYTOTGDEDIR-UHFFFAOYSA-N
-rxn:4:183922:224485,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1-c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1,VDTGWOVJJOKCEM-UHFFFAOYSA-N
-rxn:4:183928:223075,CC(c1ccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)cc1)N(C(=O)OC(C)(C)C)C1CC1,XCVRYRWDRPVXKH-UHFFFAOYSA-N
-rxn:4:183928:224830,CC(c1ccc(-c2cc(C(F)(F)F)nn2C2CCCCO2)cc1)N(C(=O)OC(C)(C)C)C1CC1,NVSYLAUNIGAWBZ-UHFFFAOYSA-N
-rxn:4:183933:223957,Cc1c(CN(C(=O)OC(C)(C)C)C2CC2)cccc1-c1cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c1,YOMHBQDIODHDEK-UHFFFAOYSA-N
-rxn:4:183934:223748,COC(=O)C1CCN(CCCc2ccccc2-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)CC1,FYGDGTLOKHNSGZ-UHFFFAOYSA-N
-rxn:4:183935:224666,COc1cc(C(=O)N(C(C)C)C(C)C)c(-c2ccc(F)c(CN3CCN(C)CC3)c2)cc1OC,WNBFJQHJRQQVFS-UHFFFAOYSA-N
-rxn:4:183941:227785,CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(F)nc2C(F)(F)F)cc1,OAWFESGBZDLPPY-UHFFFAOYSA-N
-rxn:4:183967:225268,CCCOc1cc(-c2ccc(Cl)c(OCC3CCN(C(=O)OC(C)(C)C)C3)c2)cc(C(F)(F)F)c1,IHJXWYDFJGEZDG-UHFFFAOYSA-N
-rxn:4:183967:225869,CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(N4CCOCC4)c(Cl)c3)ccc2Cl)C1,PVKLRCIVOCKCAB-UHFFFAOYSA-N
-rxn:4:183983:222770,Cc1ccc(-c2ccc(C(=O)NC3CCCC3)c(Cl)c2)cc1CN(C(=O)OC(C)(C)C)C(C)C,SZHXPRPJTJCJQC-UHFFFAOYSA-N
-rxn:4:183984:223101,CNS(=O)(=O)c1cc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c(C)c2)ccc1OC,VXSLGIWMJJXETJ-UHFFFAOYSA-N
-rxn:4:183986:223181,CCNS(=O)(=O)c1cccc(-c2cc(C)c(F)c(CN(C(=O)OC(C)(C)C)C(C)C)c2)c1,JSTGIARZXIQXDG-UHFFFAOYSA-N
-rxn:4:183996:223858,COc1cc2c(cc1-c1ccc(Cl)c(CN(C(=O)OC(C)(C)C)C3CCCC3)c1)-c1ccccc1C2(C)C,PTODAQGBUMXSTA-UHFFFAOYSA-N
-rxn:4:184026:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1ccc(Cl)c(OCC2CCCN(C(=O)OC(C)(C)C)C2)c1,ONZARKGTNYJFSU-UHFFFAOYSA-N
-rxn:4:184049:223084,COc1ccc(-c2cnc(N3CCC(O)CC3)nc2)c(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1,NVYYSPQIZFHISQ-UHFFFAOYSA-N
-rxn:4:184065:222791,CC(C)(C)OC(=O)Nc1ccc(Cl)c(-c2ccc(CN(C(=O)OC(C)(C)C)C3CCCCC3)cc2)c1,DMQRQKVQZWOPCW-UHFFFAOYSA-N
-rxn:4:184072:223279,CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(-c3cnc(C4CCCN4)nc3)cc2)C1,BZLAMIDFBFDCSB-UHFFFAOYSA-N
-rxn:4:184092:222878,CC(C)(C)NC(=O)c1cc(-c2ccc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)o2)ccc1F,REPJDVIJDHECMR-UHFFFAOYSA-N
-rxn:4:184099:226574,CC(c1ccc(-c2ccc(Cl)c(C(=O)N(C)C)c2)cc1)N(C(=O)OC(C)(C)C)C1CCC(C)(C)CC1,HCKSUFOTPPIHCM-UHFFFAOYSA-N
-rxn:4:184099:229089,CC(=O)c1sccc1-c1ccc(C(C)N(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc1,KWRBNPVCHJEBSY-UHFFFAOYSA-N
-rxn:4:184116:224323,Cc1cc(-c2cccc(OCCCCN3C(=O)c4ccccc4C3=O)c2)cc(C)c1S(=O)(=O)N1CCCC1,XOVRAYLCEWNNKK-UHFFFAOYSA-N
-rxn:4:184167:222636,C[C@@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(CN(C(=O)OC(C)(C)C)C4CC4)ccc3c2)cc1,WEXXJSCPCXRIFX-OAQYLSRUSA-N
-rxn:4:184185:224421,CC(=O)Oc1c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)c2ccccc12,UGCQUPCECNRPLD-UHFFFAOYSA-N
-rxn:4:184189:224680,COC(=O)C1CCN(C(=O)Cc2c(OC)ccc3cc(-c4cc(C(=O)N5CCCCC5)ccc4F)ccc23)CC1,YNGBNPRYBAOZNH-UHFFFAOYSA-N
-rxn:4:184205:222930,CC(C)(C)OC(=O)N1CCc2c(F)c(-c3cnc(Cl)c(N4CCCC(O)C4)c3)cc(OCc3ccccc3)c2C1,VLOIKBUFUXUILO-UHFFFAOYSA-N
-rxn:4:184217:224376,COc1cccc(CN(C(=O)c2oc3ccc(-c4cccc(S(=O)(=O)N5CCN(C)CC5)c4)cc3c2C)C2CCS(=O)(=O)C2)c1,GFBCLMSPBSTVHZ-UHFFFAOYSA-N
-rxn:4:184219:223192,CNS(=O)(=O)c1cc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3n2C(=O)OC(C)(C)C)ccc1F,LWDDJGMHFLTWID-UHFFFAOYSA-N
-rxn:4:184236:222906,CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1cccc(-c2cnccc2NC(=O)OC(C)(C)C)c1,RJVRDNKQCDOWDE-UHFFFAOYSA-N
-rxn:4:184246:223527,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)c1)N(CCCOC(C)C)C3=O,VHNLBDVGPPKBHD-UHFFFAOYSA-N
-rxn:4:184246:224015,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2cc(S(=O)(=O)N4CCOCC4)c(C)cc2F)c1)N(CCCOC(C)C)C3=O,CXFMCXDLCSROEJ-UHFFFAOYSA-N
-rxn:4:184373:223999,CCOC(=O)Cc1cc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)c(F)cc1C#N,XLJHHPIGMKLNIG-UHFFFAOYSA-N
-rxn:4:184435:224190,CCOC(=O)c1c(C#N)ccc(-c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2)c1C(F)F,HCLCAYMZLKGBCA-UHFFFAOYSA-N
-rxn:4:184469:223492,COC(=O)Cc1c(-c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc(C#N)c1C(F)(F)F,VRYAREZMMLILFC-UHFFFAOYSA-N
-rxn:4:184491:223645,CCOC(=O)c1ccc(-c2cccc(C(=O)N3CCCC(C(=O)OCC)C3)c2)c(C#N)c1C(F)(F)F,FKPBKFOIAIOEOK-UHFFFAOYSA-N
-rxn:4:184627:223971,CCOC(=O)Cc1ccc(C)c(C#N)c1-c1cc(N2CCC(C)CC2)cc(C(F)(F)F)c1,AEQWCZUBFHHXQS-UHFFFAOYSA-N
-rxn:4:184688:223595,CN(C)C(=O)COc1ccc(C(F)(F)F)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,CINXHIOVJOWENZ-UHFFFAOYSA-N
-rxn:4:184904:222432,O=S(=O)(NC1CCCCC1)c1ccc(-c2ccc(OCCCN3CCCC3)c(F)c2)c2ccccc12,CENSBJJBERZIOP-UHFFFAOYSA-N
-rxn:4:184929:226231,CCCCOc1ncc(-c2ccc(OCC(F)(F)F)c(C(=O)N3CCOCC3)c2)cc1C,BZMIHCKCOHSIQL-UHFFFAOYSA-N
-rxn:4:184964:222584,CN(C(=O)OC(C)(C)C)c1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cc(C(F)(F)F)c1,DMQZBECUBMHHKD-UHFFFAOYSA-N
-rxn:4:184984:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cnc(SC(C)C)c(C(=O)OC(C)(C)C)c1,YAMLPFWCYMHTNX-UHFFFAOYSA-N
-rxn:4:185021:224665,CN1CCN(Cc2cc(F)ccc2-c2ccc(OCCCN3CCCCC3)c(F)c2)CC1,JYAPJZIKGDOTBF-UHFFFAOYSA-N
-rxn:4:185032:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2ccc(OCC3CN(C(=O)C4CCC4)C3)cc2)cc1,DQPLIZWZSFBDJG-UHFFFAOYSA-N
-rxn:4:185033:224570,CC(c1ccc(-c2ccccc2OCC2CCCN(CC(F)F)C2)cc1)N1CCN(C)CC1,RZFXIDUZOIHSDE-UHFFFAOYSA-N
-rxn:4:185062:226339,N#Cc1cc(Cl)c(C2CC2)c(-c2cc(Cl)cc(F)c2OCCN2CCC(C(F)(F)F)CC2)c1,CGRWKWYFKCWKON-UHFFFAOYSA-N
-rxn:4:185079:222779,CC(C)N(C(=O)OC(C)(C)C)c1ccc(-c2ccncc2CNC(=O)OC(C)(C)C)cc1,FAQZXSBTBKYQJJ-UHFFFAOYSA-N
-rxn:4:185087:224728,COc1ccc(-c2cc(OC)ncc2C(=O)OC(C)(C)C)c(C(=O)N(C(C)C)C(C)C)c1,VNDMUUACHZMQNS-UHFFFAOYSA-N
-rxn:4:185089:224324,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(F)c(C(=O)N2CCC(=O)CC2)c1,HWVABRWEKKOYDH-UHFFFAOYSA-N
-rxn:4:185107:225820,CC(C)S(=O)(=O)c1ncc(-c2c(C3CC3)cccc2C(F)(F)F)cc1C(=O)OC(C)(C)C,CLWROZGFDASAHO-UHFFFAOYSA-N
-rxn:4:185114:226892,O=C(CS(=O)(=O)c1ccc(-c2cc(F)cc(C(F)(F)F)c2Cl)cc1)N1CCC(C(F)(F)F)CC1,UFDYMOLRUQDUOI-UHFFFAOYSA-N
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-rxn:4:185422:222546,CC(C)(C)OC(=O)N1CCOC(c2ccc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cc2C2CC2)C1,UWMXKFLPJVZKQS-UHFFFAOYSA-N
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-rxn:4:185613:223752,COc1ccc(CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1-c1ccccc1CN1C(=O)c2ccccc2C1=O,ZQMRMMYAJCZOOQ-UHFFFAOYSA-N
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-rxn:4:185723:223841,Cc1cc(F)c(-c2c(OCC(F)F)cccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)CC1,ZAUXMKPHOHYWFK-UHFFFAOYSA-N
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-rxn:4:187134:225327,CCCOc1ncc(C(F)(F)F)cc1-c1ccc(OC)c(C(=O)N2CCOCC2)c1OC,NRVCYERIHPNFCT-UHFFFAOYSA-N
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-rxn:4:187231:225380,CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1,DGIIROSACYBWIP-UHFFFAOYSA-N
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-rxn:4:187248:225267,CCCOc1ccc(-c2cc(CN3CCCC(F)(F)C3)cc(C(=O)OC)c2)c(C(F)(F)F)c1,IPKCSZNXEFNPNG-UHFFFAOYSA-N
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-rxn:4:187254:224620,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cc(CCN3CCCC(C(F)(F)F)C3)ccc2F)cn1,WHZQOBUEKAOYSN-UHFFFAOYSA-N
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-rxn:4:187276:228573,Cc1cc(C#N)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,CQAUHQYGLPCYMX-UHFFFAOYSA-N
-rxn:4:187285:223898,Cc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1ccc(N(C(=O)OC(C)(C)C)C(C)C)cc1,BTPMJWPLXODMRR-UHFFFAOYSA-N
-rxn:4:187307:224061,CCCC1CCC(c2ccc(-c3cc([N+](=O)[O-])c(C)cc3OCC3CCCCC3)c(F)c2)CC1,NFBVSIVLCQKBFQ-UHFFFAOYSA-N
-rxn:4:187350:222877,COC(=O)c1ccc(N2C(=O)C(=Cc3cccc(-c4ccc(C(=O)NC(C)(C)C)c(Cl)c4)c3)SC2=S)cc1,MOXCSUBBMVIGJG-UHFFFAOYSA-N
-rxn:4:187413:222918,CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc(C3CCCN3C(=O)OC(C)(C)C)c2)c1,FVHVFFYXXJMTQM-UHFFFAOYSA-N
-rxn:4:187440:224801,CCCOc1cc(-c2coc(C3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(C(F)(F)F)c1F,NGDWOJBVWQLICF-UHFFFAOYSA-N
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-rxn:4:187501:222884,CC(C)Oc1cccc(-c2cc(F)cc(C(=O)NC(C)(C)C)c2)c1CN1CCCC(F)(F)C1,QJKCEKWDTFPXBJ-UHFFFAOYSA-N
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-rxn:4:202749:224884,CC1CCN(Cc2cccc(-c3ccc(S(=O)(=O)c4c(C(=O)N5CCC(C)CC5)cnc5ccccc45)cc3)c2)CC1,YXXPGXNMDWLIDQ-UHFFFAOYSA-N
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-rxn:4:204947:225385,CC12CC(c3ccccc3O1)N(C(=O)c1ccccc1-c1cc(C(F)(F)F)nc(C(F)(F)F)c1)C(=O)N2c1ccc(Cl)cc1,MQXNPKJNIICSNG-UHFFFAOYSA-N
-rxn:4:205967:223872,CCN(C(=O)c1cccc(-c2cc([N+](=O)[O-])ccc2N2CC(F)(F)C2)c1)C1CCCCC1,GAFRSKORIDEWQD-UHFFFAOYSA-N
-rxn:4:206334:223809,O=[N+]([O-])c1cccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)c2)c1N1CCCC1,SWGUDJAJIVAEID-UHFFFAOYSA-N
-rxn:4:206445:223872,CCN(C(=O)c1cccc(-c2cc(Cl)cnc2C(=O)N2CCOCC2)c1)C1CCCCC1,YDECUFRMEHYCJE-UHFFFAOYSA-N
-rxn:4:206507:223575,CC(C)(C)OC(=O)N1CCN(Cc2ccccc2-c2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1,LGNVCTBXQKNZLL-UHFFFAOYSA-N
-rxn:4:206653:222699,O=C(c1ncc(-c2ccc(C3CCCNC3)c(C(F)(F)F)c2)cc1F)N1CCC(F)(F)CC1,FMMTUDDMVLRCBB-UHFFFAOYSA-N
-rxn:4:206712:222584,Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1C(=O)N1CCOCC1,BWQSORZZYLFBEZ-UHFFFAOYSA-N
-rxn:4:206767:224323,Cc1cc(-c2cc(N3CCCC(F)(F)C3)c([N+](=O)[O-])cc2F)cc(C)c1S(=O)(=O)N1CCCC1,VENWMFGPFMMCFJ-UHFFFAOYSA-N
-rxn:4:206850:223811,Cc1cc(C(=O)N2CCCCC2)ncc1-c1ccc(CN2CCC3(CC2)OCCO3)c(Cl)c1,ZSVRYXMDHSNIIZ-UHFFFAOYSA-N
-rxn:4:206871:224404,CN1CCN(C(=O)c2c(Cl)ccc(-c3ccc(S(=O)(=O)N4CCOCC4)c(F)c3)c2F)CC1,CHDDTDDDMZPNGQ-UHFFFAOYSA-N
-rxn:4:206907:223638,CC(C)(C)OC(=O)N1CCCC(c2cccc(-c3ccc(CN4CCCCCC4)nc3)c2)C1,VYVCRHOEDFJZCL-UHFFFAOYSA-N
-rxn:4:206964:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3ccc(C4CCN(S(C)(=O)=O)CC4)nc3)cc2)CC1,VCSGGJJBUJEDAN-UHFFFAOYSA-N
-rxn:4:206964:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1,XACMIUFVKSPVOL-UHFFFAOYSA-N
-rxn:4:206969:224658,CC(=O)N1CCN(c2ccc(-c3cc(N4CCCC(C)C4)c([N+](=O)[O-])cc3F)cc2)CC1,KXAZAHZGIHNKCF-UHFFFAOYSA-N
-rxn:4:206983:223596,CC1CCN(c2cc(C(F)(F)F)c(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1,VVYZFUOIARVJGD-UHFFFAOYSA-N
-rxn:4:207081:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cncc(C(=O)N3CC4(COC(C)(C)OC4)C3)c2)cc1,DGFHSBJZXWFUNJ-UHFFFAOYSA-N
-rxn:4:207082:222514,COc1ccc(-c2ccc(N3C(=O)CC(N4CCCCC4)C3=O)cc2)cc1S(=O)(=O)NC1CCCCC1,FHZWMHNIOZFRBJ-UHFFFAOYSA-N
-rxn:4:207093:223499,Cc1ccc(-c2n[nH]c(-c3ccc(C)cc3C)c2-c2ccc(Cl)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C)c1,PHJOEAUZXNLMEA-UHFFFAOYSA-N
-rxn:4:207725:223892,CN1CCN(CCCOc2ccc(-c3ccc4[nH]c(C(=O)N5CCC(F)(F)CC5)cc4c3)cc2)CC1,NPWNMUHZOUDAJB-UHFFFAOYSA-N
-rxn:4:207829:222676,CC(C)(C)OC(=O)NCc1ccc(F)cc1-c1ccc(N2C(=O)N(c3ccc(F)cc3)C3CS(=O)(=O)CC32)cc1,LQTIZPVOXOBMEJ-UHFFFAOYSA-N
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-rxn:4:207942:222511,Cc1nc(N2C(=O)c3oc4ccc(-c5cc(C(=O)NC6CCCCC6)cc([N+](=O)[O-])c5)cc4c(=O)c3C2c2ccccc2F)sc1C,STQMVCNYJNXCHF-UHFFFAOYSA-N
-rxn:4:207946:222813,COc1cc(-c2cnc(NC(=O)OC(C)(C)C)c(Cl)c2)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)CC21,SNTKSZVITJTSNP-UHFFFAOYSA-N
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-rxn:4:209221:223492,Cc1cc(-c2ccnc(N3CCSC3)c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,JRULSITVQYKZNW-UHFFFAOYSA-N
-rxn:4:210681:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc(C4=CSC5=NCCN45)cc3)c2)CC1,RBZJTWZHFKFLFF-UHFFFAOYSA-N
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-rxn:4:211098:223891,CC(C)(C)[Si](C)(C)n1ccc2c(-c3ccc4c(c3)C3CC(c5ccc(F)cc5)=NN3C3(CCCC3)O4)c(F)ccc21,JDVJYRLDCWXHAR-UHFFFAOYSA-N
-rxn:4:211099:223650,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccccc4N4CCN(C(=O)OC(C)(C)C)CC4)ccc2OC32CCCC2)cc1,DGCQAKDWXHMODS-UHFFFAOYSA-N
-rxn:4:212541:225979,CC(C)(C)OC(=O)N1CC(COc2cncc(-c3cnc(N4CCOCC4)c(Cl)c3)n2)C1,BPWFRIMJEVBMTJ-UHFFFAOYSA-N
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-rxn:4:212577:223902,Cc1cccc(OCC(=O)N2CC(Cn3cc(-c4ccc(OCCN5CCC(C)CC5)c(F)c4)cn3)C2)c1,CGIAEMGJBKADMM-UHFFFAOYSA-N
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-rxn:4:212655:225545,COC(=O)c1cc(-c2ccccc2C(=O)OCC(C)C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,WCFGLYDZTVOTPU-UHFFFAOYSA-N
-rxn:4:212669:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc(OC)cc2C(=O)N2CCC(Oc3ncc(OC)cn3)CC2)c1,SKJXBTIFJJKHQE-UHFFFAOYSA-N
-rxn:4:212678:224619,Cc1cnc(OCC2CCCN(C(=O)Cc3ccccc3-c3ccc(OCCN4CCCC4)c(F)c3)C2)nc1,ROANYDDEOJPQPB-UHFFFAOYSA-N
-rxn:4:212679:224883,Cc1cnc(OC2CCN(C(=O)CCc3ccccc3-c3ccc(C(C)N4CCCCC4)cc3)CC2)nc1,GEXILVFUWKLRSU-UHFFFAOYSA-N
-rxn:4:212690:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cnn(C)c1CN(C(=O)OC(C)(C)C)C1CCCCC1,NBOBSFLHVPOHAI-UHFFFAOYSA-N
-rxn:4:212693:227533,COC(=O)c1ccc(Cl)c(-c2cncc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)c2)c1,DSJBPORZZOCRED-UHFFFAOYSA-N
-rxn:4:212698:224588,COc1ccc(-c2csc(CN3CCN(C(=O)c4ccc(-c5cc(F)cc(CN6CCC(C)CC6)c5)o4)CC3)n2)cc1,CMHCAJRVHFAMKG-UHFFFAOYSA-N
-rxn:4:212743:224820,CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)CC2)CC1,SWUMJXRHSACITJ-UHFFFAOYSA-N
-rxn:4:212751:224877,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(COC4CCCCC4)cc3)c2)CCN1C(=O)OC(C)(C)C,ZOYNGMLUZWEDLE-UHFFFAOYSA-N
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-rxn:4:212770:223093,CCOC(=O)c1nn2c(c1-c1cncc(NS(=O)(=O)C(C)C)c1)CN(C(=O)OC(C)(C)C)CC2,PTIXTVIPXAPUJD-UHFFFAOYSA-N
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-rxn:4:212944:224290,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(Cl)cc2OCCN2CCOCC2)CC1,XMQHKXAXFQTMMO-UHFFFAOYSA-N
-rxn:4:212947:224705,CC1CCN(c2ccc(-c3cnn(CC4CN(S(=O)(=O)Cc5cc(F)ccc5F)C4)c3)c(F)c2F)CC1,SEKDLEFXSUJYIA-UHFFFAOYSA-N
-rxn:4:212968:222723,O=C(C1CC1)N1CCCC(COc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,RIWVGWZUJMPTLK-UHFFFAOYSA-N
-rxn:4:212973:226495,CCN(CC)c1cc(-c2cccnc2OC2CCN(C(=O)CN3CCOC3=O)C2)c(F)cn1,WTAQBMZTVUAADG-UHFFFAOYSA-N
-rxn:4:212989:225877,CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(-c3ccc(Cl)cc3N3CCOCC3)s2)CC1,LDQSWQBKTVADAV-UHFFFAOYSA-N
-rxn:4:213016:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C(=O)N4CCC(CSc5nccn5C)CC4)o3)cc2)CC1,DQFFXFKUZVQJSK-UHFFFAOYSA-N
-rxn:4:213042:224846,CCC1CCC(c2ccc(-c3cnc(OC4CCCN(C(=O)OC(C)(C)C)C4)cn3)cc2)CC1,OFZOYBAMTUCINX-UHFFFAOYSA-N
-rxn:4:213066:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc(C(=O)N4CCC(N5CC(=O)N(CC(F)(F)F)C5=O)CC4)o3)cc2C1,GNZADGFHODFFBW-UHFFFAOYSA-N
-rxn:4:213075:225975,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3ccnc(N4CCOCC4)c3Cl)n2)CC1,KUJZSHZBJARQBY-UHFFFAOYSA-N
-rxn:4:213134:225877,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(Cl)cc3N3CCOCC3)cn2)CC1,VLZKAORHVNDNAK-UHFFFAOYSA-N
-rxn:4:213134:226259,CCCCOc1ccc(-c2cnc(OC3CCN(C(=O)C(C)(C)CC)CC3)nc2)cc1Cl,GDLSGZWXQABTLG-UHFFFAOYSA-N
-rxn:4:213138:222439,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cnc2F)CC1,LFNDCTOGNUBFPM-UHFFFAOYSA-N
-rxn:4:213144:226251,CCCCOc1cc(-c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl,QSPSIYPQEQYMFD-UHFFFAOYSA-N
-rxn:4:213153:224997,O=C(c1ccc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2[N+](=O)[O-])cc1)N1CCCCC1,MHCYLYSLVOVQCO-UHFFFAOYSA-N
-rxn:4:213157:224425,CCCC1CCC(c2ccccc2-c2cncc(C(=O)N3CC(Oc4cc(C)n(C5CC5)c(=O)c4)C3)c2)CC1,YBBOUFAEIDLCRM-UHFFFAOYSA-N
-rxn:4:213159:225126,COc1cc(N2CCN(C(=O)Cc3ccccc3-c3cc(F)ccc3OCC3CCCO3)CC2=O)ccn1,COWXRDVPMFSYGM-UHFFFAOYSA-N
-rxn:4:213180:223951,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCN(C)CC5)c(F)c4)cn3)CC2)c(C)o1,XUAHOYXWGLPSAO-UHFFFAOYSA-N
-rxn:4:213186:222962,CCCCNC(=O)c1ccc(-c2cccc(N3CC(C(=O)N4CC(Oc5cccnc5)C4)CC3=O)c2)cc1,PPZHFJZPNDNUKJ-UHFFFAOYSA-N
-rxn:4:213193:224199,CC(=O)N1CCN(Cc2ccc(-c3ccccc3CCC(=O)N3CCCCC3c3ccnn3C)cc2)CC1,QZZIALNVYIONCA-UHFFFAOYSA-N
-rxn:4:213199:223608,COc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)c(C(=O)N2CCC(Oc3nc(C)cc(C)n3)C2)c1,RDUIAMFEHKBJFA-UHFFFAOYSA-N
-rxn:4:213201:224599,Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3-c3cc(C(=O)C4CCCCC4)ccc3F)CC2)ncn1,YSXFLVWHTTXUGI-UHFFFAOYSA-N
-rxn:4:213217:222882,CCN1CCN(c2ncc(-c3cc(F)ccc3C(=O)NC(C)(C)C)cc2C(=O)OC(C)(C)C)CC1,BUIFQOBVFARDGO-UHFFFAOYSA-N
-rxn:4:213217:224593,CCN1CCN(c2ncc(-c3ccc(F)c(CN4CCC(C)CC4)c3)cc2C(=O)OC(C)(C)C)CC1,USHKBIOYTWUXQF-UHFFFAOYSA-N
-rxn:4:213273:225977,O=C(c1ccc(N2CCOCC2)cc1)N1CCC(Oc2ccncc2-c2cc(Cl)cnc2N2CCOCC2)C1,BWNIJUSSDSOFNP-UHFFFAOYSA-N
-rxn:4:213278:222514,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(-c5ccc(OC)c(S(=O)(=O)NC6CCCCC6)c5)cc4)C3)n2)c1,FJXILZJEUIBQNJ-UHFFFAOYSA-N
-rxn:4:213281:222717,Cc1cc(-c2cccnc2OC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c(S(=O)(=O)NC(C)(C)C)cc1F,BOEMRSIJGBVTOG-UHFFFAOYSA-N
-rxn:4:213363:224289,COc1ccc2sc(OC3CCN(C(=O)c4cncc(-c5ccc(N(C)C(=O)OC(C)(C)C)cc5F)c4)CC3)nc2c1,MMTKYVHVEBISQB-UHFFFAOYSA-N
-rxn:4:213395:225338,O=C(Cn1ccc2ccc(-c3ccc(F)c(COCC(F)(F)F)c3)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,XUYCWXFCJYDBMG-UHFFFAOYSA-N
-rxn:4:213402:222675,COc1ccc(N2CCN(C(=O)Cn3ccc4cc(-c5ccc(NC(=O)OC(C)(C)C)c(OC)c5)ccc43)CC2)cc1,OQXHMRYRGKTTPA-UHFFFAOYSA-N
-rxn:4:213412:227717,CC(C)CS(=O)(=O)C1CCN(C(=O)c2c3ccc(-c4ccc(F)cc4OC(F)F)cc3nn2C)CC1,YLNOHYWNISBMAM-UHFFFAOYSA-N
-rxn:4:213413:224652,CC1CN(C(=O)c2cc3cc(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4)ccc3[nH]2)CCN1C(=O)OC(C)(C)C,ZHWPJVJLOYCNMU-UHFFFAOYSA-N
-rxn:4:213440:222833,CC(C)CCC(=O)Nc1cccc(-c2ccc3ccn(CC(=O)N4CCN(C(=O)C5COc6ccccc6O5)CC4)c3c2)c1,BQKQGXMYRKVIIO-UHFFFAOYSA-N
-rxn:4:213440:224593,CC1CCN(Cc2cc(-c3ccc4ccn(CC(=O)N5CCN(C(=O)C6COc7ccccc7O6)CC5)c4c3)ccc2F)CC1,UDJXMWFDXQQOPL-UHFFFAOYSA-N
-rxn:4:213451:223575,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccccc5CN5CCN(C(=O)OC(C)(C)C)CC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,WXOFFPQUOYHQHH-UHFFFAOYSA-N
-rxn:4:213480:223954,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(OCCN5CCC(=O)CC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,BRWHBWJDDCRRQD-SJDXYOSWSA-N
-rxn:4:213480:224255,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)N5CCCC(C)C5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JJNLEXCWLXHENH-ANLKPUEHSA-N
-rxn:4:213480:225454,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C5=CCN(C)CC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,OKYMEJAEYDNVBI-RDPIHECBSA-N
-rxn:4:213480:225584,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCCC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,XKQYFOMGEWYSBV-PCBPTNJRSA-N
-rxn:4:213480:226189,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C5CCCC5)c(F)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZVOYAVHELOOAND-FGGQGBITSA-N
-rxn:4:213480:226583,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(CN5CCOCC5)s4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,JNNXJQZLZKQHNN-MDCBZVBUSA-N
-rxn:4:213481:222719,COC12CC(COC(=O)c3cncc(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,UWUMKTYVEQBLDE-UHFFFAOYSA-N
-rxn:4:213663:223508,CC(C)(C)OC(=O)N1CC(c2ncc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cn2)C1,HBEAFKVFUKJUMJ-UHFFFAOYSA-N
-rxn:4:213755:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,VNAZKAHIZNQZDQ-UHFFFAOYSA-N
-rxn:4:213764:223954,CC(C)(C)OC(=O)N1CCC(c2cnc(-c3ccc(OCCN4CCC(=O)CC4)c(F)c3)cn2)C1,VCKGHOOZMVWZMH-UHFFFAOYSA-N
-rxn:4:213777:225313,CCOC(=O)c1nc(N2CCN(C)CC2)ccc1-c1ccc(N2CCN(C)CC2)nc1F,SBZJHDLDLVFBEI-UHFFFAOYSA-N
-rxn:4:213787:222546,COc1cc(N2CCN(C(=O)c3ccc(-c4ccc(OCCNC5CCCCC5)c(F)c4)o3)CC2=O)ccn1,VIITWWRZHRTWIX-UHFFFAOYSA-N
-rxn:4:213794:224672,CCN1CCN(c2ccc(-c3cnn(CC4CN(CC5CCCCO5)C4)c3)c(Cl)c2)CC1,ZYOYUPDSDPCLES-UHFFFAOYSA-N
-rxn:4:213803:223945,CC(C)(C)OC(=O)N1CCOCC1c1ncc(-c2ccc(OCCCN3CCOCC3)c(F)c2)cn1,GGNAHFBJGFWDCR-UHFFFAOYSA-N
-rxn:4:213836:224486,CC(C)N(C(=O)c1cccc(-c2ccnn2C2CCCN(C(=O)OC(C)(C)C)C2)c1)C(C)C,BQDGVLOFYRHWQU-UHFFFAOYSA-N
-rxn:4:213874:225979,CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc(N4CCOCC4)c(Cl)c3)ccn2)CC1,PMHWYDKPPIVXIZ-UHFFFAOYSA-N
-rxn:4:213882:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(CC5CCS(=O)(=O)CC5)C4)c3)cc2)CC1,GNPHNYHOXHKDEU-UHFFFAOYSA-N
-rxn:4:213885:224286,CC(C)(C)OC(=O)N1CCCC(c2ccnc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)n2)C1,HSQDROCGQUSFCA-UHFFFAOYSA-N
-rxn:4:213894:223071,CCS(=O)(=O)NCc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1,BLROBUHUBGPART-UHFFFAOYSA-N
-rxn:4:213900:222447,COc1ccc2c(c1-c1cnc(C3CCCN(C(=O)OC(C)(C)C)C3)nc1)N=C(NC(=O)OC(C)(C)C)C2,RAGKCSSNPYKSHJ-UHFFFAOYSA-N
-rxn:4:213900:223945,CC(C)(C)OC(=O)N1CCCC(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1,VJTBCEBAKZKDFE-UHFFFAOYSA-N
-rxn:4:213930:223814,Cc1ccc(C(=O)N2CCCC(Oc3ncc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)cn3)C2)cc1F,OZMHCAJWNLURDL-UHFFFAOYSA-N
-rxn:4:213932:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)CC1,YVWJMSLGXUCKQZ-UHFFFAOYSA-N
-rxn:4:213932:224685,O=C1CCN(C(=O)c2cccc(-c3cnc(N4CCOC(C(=O)N5CCCC5)C4)c(C(F)(F)F)c3)c2)CC1,WGPMYIUPOLEEDW-UHFFFAOYSA-N
-rxn:4:213933:226554,CCCOc1cc(F)c(-c2cc(C(F)(F)F)cnc2N2CCCN(S(=O)(=O)C3CC3)CC2)cc1F,UNAFFBHXHAMIAA-UHFFFAOYSA-N
-rxn:4:213966:222795,COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1-c1ccc(NC(=O)N2CCOCC2)cc1,QSNAFHIRBIINHW-UHFFFAOYSA-N
-rxn:4:213980:225355,COC(=O)c1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)c(C(F)(F)F)c1,VEQPJSCFEZSJDR-UHFFFAOYSA-N
-rxn:4:213992:223542,CN1CCN(S(=O)(=O)c2cc(-c3cnc(OC4CCN(CC5CCOCC5)CC4)nc3)ccc2OC(F)(F)F)CC1,LEZPZDYEGVHLHC-UHFFFAOYSA-N
-rxn:4:213997:222879,CC1CN(c2ccncc2-c2c(Cl)cccc2NC(=O)C(C)(C)C)CCN1C(=O)OC(C)(C)C,QSDATHBPCAMDLM-UHFFFAOYSA-N
-rxn:4:214011:225428,CCCCC(=O)c1ccc(-c2ccc(S(=O)(=O)n3nc(C)c(S(=O)(=O)N4CCCC4)c3C)cc2)c(C)c1,KDTGFZQPTRAXEN-UHFFFAOYSA-N
-rxn:4:214029:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCCC(C(=O)N3CCSCC3)C2)c(C(F)(F)F)c1,GWVTZTNJRIWJGP-UHFFFAOYSA-N
-rxn:4:214033:223352,CC(C)Nc1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cn1,INQUSDLENRBFAD-FGZHOGPDSA-N
-rxn:4:214034:227580,COc1cc(Cl)c(-c2cccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c2)cc1OC,GYZPZHPOJXWNKE-UHFFFAOYSA-N
-rxn:4:214058:226775,COC(=O)c1cc(F)c(-c2cncc(C(=O)N3CCC(N4CCC(OC)CC4)CC3)c2)cc1Cl,PQQLHVVDDVSIEP-UHFFFAOYSA-N
-rxn:4:214078:226382,CCN1CCN(Cc2ccc(-c3cnc(C4CCCCC4)nc3)cc2N2CCCCC2)CC1,UULYZTIANWCCMU-UHFFFAOYSA-N
-rxn:4:214079:223170,CC(C)N1CCN(Cc2ccc(-c3cnc(C4CCCNC4)nc3)cc2N2CCCC2)CC1,CZUDRSPQYMSBII-UHFFFAOYSA-N
-rxn:4:214080:225454,CN1CC=C(c2ccc(-c3ccc(C(=O)N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)cc3)cc2)CC1,SJXPXZQPOAQHKW-UHFFFAOYSA-N
-rxn:4:214082:223905,COc1cc(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCOCC3)c2)cc(Cl)c1OCc1ccccc1,SVMPAPMSMADAAW-UHFFFAOYSA-N
-rxn:4:214179:222819,CC(C)(C)OC(=O)N1CC(c2ncn3ccc(-c4ccc(NC(=O)N5CCOCC5)nc4)cc23)C1,AHZHGDLZPZFHKL-UHFFFAOYSA-N
-rxn:4:214231:224597,CC(C)(C)OC(=O)N1CCOC(c2cn3c(-c4cc(C5CC5)cc(N5CCOCC5)c4)cccc3n2)C1,XEUJXMNLDBPZSC-UHFFFAOYSA-N
-rxn:4:214232:224775,O=C(C1CCCc2ccccc21)N1CC(Cn2cc(-c3cnc(C(F)(F)F)c(C4CCCC4)c3)cn2)C1,GRZXVXSLXBIIJW-UHFFFAOYSA-N
-rxn:4:214234:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)CC1,KBIVYDUKCKVFCD-UHFFFAOYSA-N
-rxn:4:214276:225353,COC(=O)c1ccc(-c2cnc3[nH]c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cc1C(F)(F)F,BGBNVRMZYANYJH-UHFFFAOYSA-N
-rxn:4:214284:224365,CCCCOc1cc(-c2cnn(C3CC4CCC(C3)N4S(=O)(=O)c3cc(F)ccc3OC)c2)cc(C(F)(F)F)c1F,HNBNGHGKUYEULM-UHFFFAOYSA-N
-rxn:4:214296:226662,CN1CCN(c2ccc(-c3ccc4nccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4c3)s2)CC1,BEGDQSFVGNTTCL-UHFFFAOYSA-N
-rxn:4:214307:224255,CC1CCCN(C(=O)c2cc(F)cc(-c3ccccc3CC(=O)N3CCCC(n4cnc5ccccc5c4=O)C3)c2)C1,BNGKGNUBRXYHAC-UHFFFAOYSA-N
-rxn:4:214349:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)cc2)cc1,CZNUAGIEVWSUFM-UHFFFAOYSA-N
-rxn:4:214477:222539,CN(C)S(=O)(=O)n1cc(-c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)c(C(F)(F)F)n1,COWIGXKELAWYSY-UHFFFAOYSA-N
-rxn:4:214477:224330,CN(C)S(=O)(=O)n1cc(-c2ccc(Cl)c(C(=O)N3CCC(=O)CC3)c2)c(C(F)(F)F)n1,DKYJWYVNNDCQQY-UHFFFAOYSA-N
-rxn:4:214631:222522,COc1ccc(-c2cnc(CC3CCN(S(C)(=O)=O)C3)cn2)cc1S(=O)(=O)N1CCC(O)CC1,IRKUMVGAMPMQGC-UHFFFAOYSA-N
-rxn:4:214680:223671,Cn1cc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(CN2CCCC(C(F)(F)F)C2)n1,YLJIUEKLJHLIHG-UHFFFAOYSA-N
-rxn:4:214683:223823,CCN1CCN(C(=O)c2ncc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CC1,RPDXHHPKJXJXCA-UHFFFAOYSA-N
-rxn:4:214706:222582,CS(=O)(=O)N1CCCC(Cc2cnc(-c3cccc(C(=O)NCCN4CCOCC4)c3)cn2)C1,RLQVXIWNDFFAMZ-UHFFFAOYSA-N
-rxn:4:214731:222604,COc1ccc(-c2cccnc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1S(=O)(=O)NC1CCCC1,RRCXFJWBILWCIN-UHFFFAOYSA-N
-rxn:4:214731:222935,CN(C)S(=O)(=O)NCc1ccc(-c2cccnc2N2CCN(S(=O)(=O)C3CC3)CC2)cc1,SMQRTSXYCCTORJ-UHFFFAOYSA-N
-rxn:4:214736:223594,CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(-c3ccc([N+](=O)[O-])c(N4CCC(c5nccs5)CC4)c3)c2)CC1,LBDLETNGPVLFBH-UHFFFAOYSA-N
-rxn:4:214819:226231,CCCCOc1ncc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)cc1C,NMJCXSPGZILNLY-UHFFFAOYSA-N
-rxn:4:214838:225088,COc1cc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)ccc1OCCN(C)C,OOSKUOVTYXXETF-UHFFFAOYSA-N
-rxn:4:214856:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cccc(N2CCN(C(=O)N3CCCC3)CC2)c1,SGQJCYYYTFRBQJ-UHFFFAOYSA-N
-rxn:4:214867:225518,CCCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCCC3)C2)c(C)c1,FGBVBQPAVDULQE-UHFFFAOYSA-N
-rxn:4:214870:223028,CCCNC(=O)c1ccc(F)c(-c2cc(Cl)cnc2N2CCCC(C(=O)N3CCOCC3)C2)c1,WYNRBTGKXHWKSE-UHFFFAOYSA-N
-rxn:4:214882:226118,CCC(C)Oc1ccc(-c2ccc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)cc1C,PJQAVVLRWIMMMR-UHFFFAOYSA-N
-rxn:4:214885:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(Cl)c2)c1,BNFJQSAIJLGZLL-UHFFFAOYSA-N
-rxn:4:215170:226354,COc1cc(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)c(Cl)c(C2CC2)c1,VBICQGORJLVBEY-UHFFFAOYSA-N
-rxn:4:215182:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2[nH]c(C(=O)N3CCN(C(C)C)CC3)cc2c1,SDCIPAWKSOFQAY-UHFFFAOYSA-N
-rxn:4:215188:223070,CC(C)(C)OC(=O)Nc1cc(-c2ccc(N3C(=O)N(c4ccc([N+](=O)[O-])cc4)C4CS(=O)(=O)CC43)cc2)cs1,MEJDCKQQNVBTPD-UHFFFAOYSA-N
-rxn:4:215214:223873,CC1CCN(C(=O)CCc2ccccc2-c2cnc3n2CC2(COCCN(C(=O)OC(C)(C)C)C2)C3)CC1,RECZKNUVTIDRJY-UHFFFAOYSA-N
-rxn:4:215216:226477,CCCCOc1ncc(Cl)cc1-c1ccc2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc2c1,PRXCBBKGOJMOOD-UHFFFAOYSA-N
-rxn:4:215296:222951,CCCN1CCC2(CC1)Oc1ccc(-c3cnc(NC(C)=O)cc3C(F)(F)F)cc1C1CC(c3ccccc3)=NN12,YAJXQCBNSLSBAJ-UHFFFAOYSA-N
-rxn:4:215391:223696,NS(=O)(=O)c1ncc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1[N+](=O)[O-],ZVWCJQGIYWRODB-UHFFFAOYSA-N
-rxn:4:215642:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cn(C)nc3CN3C(=O)C=CC3=O)c2)CC1,MNJFSLZSAPYBBU-UHFFFAOYSA-N
-rxn:4:215708:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(C(=O)N4CCOCC4)nc3)c2)CC1,YVGYERAKDZOHBF-UHFFFAOYSA-N
-rxn:4:215805:222655,O=C(NC1CCCCC1)c1ccc(-c2cc([N+](=O)[O-])cc(N3CCC(F)(F)CC3)n2)cc1Cl,QILDCIAZDIZBSI-UHFFFAOYSA-N
-rxn:4:215818:222542,CC(=O)N1CCC(n2cc(-c3ccc(C)c(OCCCN4CCNCC4)c3)cn2)CC1,TYLPNLDDBPRNGO-UHFFFAOYSA-N
-rxn:4:215856:223527,CC1CCCN(c2cc(C#N)c(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)C1,LLBDFQCVCPWYHG-UHFFFAOYSA-N
-rxn:4:215900:223841,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1S(=O)(=O)N1CCN(C)CC1,REKDRLJMMGJEPI-UHFFFAOYSA-N
-rxn:4:215940:223952,CN1CCN(CCOc2ccc(-c3ccc(N4CCC(N(C)C)CC4)cn3)cc2Cl)CC1,FGMQLAMZOBXGHF-UHFFFAOYSA-N
-rxn:4:215942:223786,CN1CCN(CCCOc2ccc(-c3ncccc3N3CCC(N(C)C)CC3)cc2Cl)CC1,WYRVVDVWMBWMOD-UHFFFAOYSA-N
-rxn:4:215944:223787,CN1CCN(CCCOc2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2F)CC1,JJAYLNKYZUQNTQ-UHFFFAOYSA-N
-rxn:4:215944:223952,CN1CCN(CCOc2ccc(-c3cccc(N4CCC(N(C)C)CC4)n3)cc2Cl)CC1,HHEDLBDVKPBDNR-UHFFFAOYSA-N
-rxn:4:215945:223834,Cc1cc(-c2cc(N3CCC(N(C)C)CC3)ccn2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,UVGGNTIUZINBRV-UHFFFAOYSA-N
-rxn:4:215945:223952,CN1CCN(CCOc2ccc(-c3cc(N4CCC(N(C)C)CC4)ccn3)cc2Cl)CC1,XLZZNVGEYZWSDU-UHFFFAOYSA-N
-rxn:4:215962:223993,Cc1cc(-c2nc(C3CC3)cc(N3CCCCC3C)n2)ccc1S(=O)(=O)N1CCN(C)CC1,GQNISNMYTNUSEP-UHFFFAOYSA-N
-rxn:4:215962:224022,CC1CCCCN1c1cc(C2CC2)nc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1,RJNLANURZWVSHN-UHFFFAOYSA-N
-rxn:4:215978:224167,CC1CCN(c2cc(-c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)nc(C(C)C)n2)CC1,KEIUXCCWPOOKDR-UHFFFAOYSA-N
-rxn:4:215984:224591,CC1CCN(Cc2cc(-c3ccc(-n4cccc4C=C4C(=O)N(C)C(=O)N(C)C4=O)cc3)ccc2Cl)CC1,DYDCLGRRSZIDHE-UHFFFAOYSA-N
-rxn:4:216354:224616,CC(=O)N1CCC2(CC1)Oc1ccc(-c3ccccc3OCCN3CCOCC3)cc1C1CC(c3ccccc3)=NN12,YAKUAPWPYCPMPJ-UHFFFAOYSA-N
-rxn:4:217906:224730,CC(C)COc1ccc(C(F)(F)F)cc1-c1ccc2c(c1)C1CC(c3ccccc3)=NN1C1(CCN(C)CC1)O2,JCJMUXVRPANCCY-UHFFFAOYSA-N
-rxn:4:218553:224017,O=C(CCc1ccccc1-c1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F)N1CC(Cn2cncn2)C1,XLJLTGPSUFDNAG-UHFFFAOYSA-N
-rxn:4:218584:222658,N#Cc1ccc(CN2CCCC(COc3ncc(-c4cc(F)cc(C(=O)NC5CCCCC5)c4)cn3)C2)cc1,IMUFYQARMNNTQD-UHFFFAOYSA-N
-rxn:4:218606:222828,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(F)c(F)cc3S(=O)(=O)NC3CC3)cn2)C1,IXFTVZVXZNDXSH-UHFFFAOYSA-N
-rxn:4:218606:223810,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(C)c(S(=O)(=O)N4CCC(C)CC4)c(C)c3)cn2)C1,NHMLQCKYFOMWHR-UHFFFAOYSA-N
-rxn:4:218606:223997,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3cc(C)c(S(=O)(=O)N4CCOCC4)c(C)c3)cn2)C1,JMGBXOPHWPZTOS-UHFFFAOYSA-N
-rxn:4:218606:224617,COc1ncccc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCN4CCCC4)c(Cl)c3)cn2)C1,PJUTUDKBMOFFJD-UHFFFAOYSA-N
-rxn:4:218632:223993,Cc1cc(-c2cnccc2OC2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)C2)ccc1S(=O)(=O)N1CCN(C)CC1,JLDKDYNNHIEXGJ-UHFFFAOYSA-N
-rxn:4:218649:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cccc(-c3noc(-c4ccc(=O)n(CC(=O)N(C)c5ccccc5)c4)n3)c2)cc1,LXRQLOXNCMHXJT-UHFFFAOYSA-N
-rxn:4:218666:224248,CC1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)cc2Cl)CC1,OLLJRILQQQGPBI-UHFFFAOYSA-N
-rxn:4:218686:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3N3CCC(OCC#CCN4CCN(C)CC4)CC3)c(F)cc2C)CC1,LMNQMUIJDMTLKV-UHFFFAOYSA-N
-rxn:4:218711:223434,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc4cn[nH]c4c3)CC2)CC1,RSRDZXCLARYLLG-UHFFFAOYSA-N
-rxn:4:218711:226789,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(-c4cnccn4)nc3)CC2)CC1,FROIKRICWKLUCI-UHFFFAOYSA-N
-rxn:4:218711:227727,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3ccc(-n4cncn4)nc3)CC2)CC1,RRPBDCCRPIFVIS-UHFFFAOYSA-N
-rxn:4:218727:223594,CCCc1c(C(=O)OCC)nnc2c(-c3ccc(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)c(C)nn12,DZXAXINMDSUXHZ-UHFFFAOYSA-N
-rxn:4:218749:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cnc(OCC4CCCN(C(=O)Cn5ccc6ccccc65)C4)nc3)c2)CC1,GXDQFQJIBUQZQE-UHFFFAOYSA-N
-rxn:4:218815:224964,O=C(CN1C(=O)CCC1=O)N1CC(Cn2cc(-c3ccc(COC4CCOCC4)cc3)cn2)C1,HQNUNPFQPYNCKA-UHFFFAOYSA-N
-rxn:4:218833:223531,COc1ccc(S(=O)(=O)Cc2nnnn2-c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2)cc1,OEVBEXYHTSHAGL-UHFFFAOYSA-N
-rxn:4:218846:223501,CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc(OC4CCN(C(=O)CN5C(=O)CCC5=O)C4)nc3)cc2Cl)CC1,DYBJAUDSJNXDSS-UHFFFAOYSA-N
-rxn:4:218867:223294,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3csc(N4CCNCC4)n3)c2)no1,LIGSMWXGCJVNAF-UHFFFAOYSA-N
-rxn:4:218868:223773,COc1cccc2cc(-c3ccc(-c4noc(COC(=O)C5=CN(C)S(=O)(=O)N=C5C)n4)cc3)n(C(=O)OC(C)(C)C)c12,VIIWIGCOMCOKOK-UHFFFAOYSA-N
-rxn:4:218868:225952,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCOCC4)nc3C)cc2)no1,QRUMEYGICUOJPE-UHFFFAOYSA-N
-rxn:4:218868:226223,CCOCCOc1ccccc1-c1ccc(-c2noc(COC(=O)C3=CN(C)S(=O)(=O)N=C3C)n2)cc1,BKGVUUDNTOAQIE-UHFFFAOYSA-N
-rxn:4:218868:226447,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(C4CCOCC4)c3)cc2)no1,YKKHZQFFOOAHJR-UHFFFAOYSA-N
-rxn:4:218877:223094,CC(=O)Nc1cc(-c2cnc(OC3CCCN(C(=O)CN4CCOC4=O)C3)nc2)ccc1[N+](=O)[O-],QVEQADXFRRNPLH-UHFFFAOYSA-N
-rxn:4:218885:223595,Cc1ncsc1C(=O)N1CCC(COc2ncc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1,TWLQJLZKDYAEOE-UHFFFAOYSA-N
-rxn:4:218885:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCN(C(=O)c5scnc5C)CC4)nc3)c(Cl)c2)CC1,NKCIYNOLIODIMD-UHFFFAOYSA-N
-rxn:4:218888:222546,Cc1oncc1C(=O)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)C1,FJWVDQLIWJCFDB-UHFFFAOYSA-N
-rxn:4:218888:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cnoc5C)C4)nc3)c(Cl)c2)CC1,INAZONVEYBRRQZ-UHFFFAOYSA-N
-rxn:4:218889:224326,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(S(=O)(=O)N5CCCCC5)c(C)c4)cn3)C2)no1,RTHTVLZMKWUMNZ-UHFFFAOYSA-N
-rxn:4:218968:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cncc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)c3)c2)CC1,FJKCNPDWTJGWNN-UHFFFAOYSA-N
-rxn:4:218982:223756,COc1cc(COc2cccc(-c3cncc(C(=O)N4CCC(N5CC(=O)N(CC(F)(F)F)C5=O)CC4)c3)c2)cc(OC)c1,KDEMTOFHFNXRPT-UHFFFAOYSA-N
-rxn:4:218983:223576,COc1ccc(-c2cccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1,LHHNLKBKMUINBG-UHFFFAOYSA-N
-rxn:4:218996:222603,COc1cc(-c2cnc(OCC3CCN(Cc4c(C)noc4C)CC3)nc2)c(Cl)cc1NC(=O)OC(C)(C)C,KNIMFVXCOXOQGY-UHFFFAOYSA-N
-rxn:4:219002:222546,Cn1cccc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)c1=O,WSFHKTONXANYAW-UHFFFAOYSA-N
-rxn:4:219013:226470,CCOC(=O)CCc1cc(-c2cncc([N+](=O)[O-])c2N2CCN(C(=O)OC(C)(C)C)C(C)C2)cs1,SPUZRXRQKAITKT-UHFFFAOYSA-N
-rxn:4:219026:224762,CC1CN(C(=O)c2c(-c3ccc(C(=O)N4CCOCC4)c(F)c3)cnn2C)CCN1C(=O)OC(C)(C)C,WVOPHFPGDHBLIP-UHFFFAOYSA-N
-rxn:4:219128:222719,FC(F)(F)c1cc(-c2cnc(OCC3CCN(Cc4nc5c(s4)CCC5)CC3)nc2)cc(C2CCCNC2)n1,LOSPAOKEQWYJSM-UHFFFAOYSA-N
-rxn:4:219136:222655,COc1ccc(N2C(=O)C3N=NN(Cc4cc(OC)ccc4-c4ccc(C(=O)NC5CCCCC5)c(Cl)c4)C3C2=O)cc1,POQTUQOUVMXLTP-UHFFFAOYSA-N
-rxn:4:219144:225754,COC(=O)c1cc(-c2cnc(OC3CCN(CCN4C(=O)c5ccccc5C4=O)CC3)nc2)c(C2CC2)cn1,TXNPRXVANGRKNJ-UHFFFAOYSA-N
-rxn:4:219207:222609,O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(c2nc(-c3ccc(-c4ccc(S(=O)(=O)Nc5ccc(F)cc5)cc4)cc3)cs2)CC1,WBBPMVBXJURHAA-UHFFFAOYSA-N
-rxn:4:219271:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCN(CC(F)(F)F)CC4)c([N+](=O)[O-])c3)cc2)CC1,LMVLHTBZUMSWPI-UHFFFAOYSA-N
-rxn:4:219388:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)o1,KMGGBGKWCKFXPT-UHFFFAOYSA-N
-rxn:4:219402:225800,CC(C)(C)OC(=O)N1CCN(c2cnc(-c3ccc(C(=O)N4CCSC4)cc3)cn2)CC1,PVAZSUGKNBDGPR-UHFFFAOYSA-N
-rxn:4:219404:224291,CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(OCCN4CCOCC4)c(F)c3)n2)CC1,OUOUCCIORAXDIZ-UHFFFAOYSA-N
-rxn:4:219410:223077,O=S(=O)(NC1CC1)c1ccc(-c2cnc(OC3CCN(S(=O)(=O)N4CCOCC4)C3)nc2)cc1,MZNBPPRIGHJICH-UHFFFAOYSA-N
-rxn:4:219419:222712,Cc1nc(N2CCN(C(=O)c3ccc(-c4ccc(NC(=O)OC(C)(C)C)c(F)c4F)o3)CC2)cc(C(F)(F)F)n1,YGLPVAHFUUKZHJ-UHFFFAOYSA-N
-rxn:4:219438:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3CN3CCN(c4cc(C(F)(F)F)ncn4)CC3)cc2)CC1,JSTFWUOJFWPHSG-UHFFFAOYSA-N
-rxn:4:219469:222813,CSc1ncc(-c2cnc(NC(=O)OC(C)(C)C)c(Cl)c2)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,CUUQBEZQURWOND-UHFFFAOYSA-N
-rxn:4:219469:223658,CSc1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1,VGHKCDYAWDXEMX-UHFFFAOYSA-N
-rxn:4:219479:223755,CC1CCN(CCCOc2ccc(-c3ccc(Cl)c(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)c3)cc2F)CC1,NITFHCOEVKVOIF-UHFFFAOYSA-N
-rxn:4:219496:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(C)c(C(=O)N(C)C3CN(c4ccc(C)nn4)C3)c2)CC1,GQGFPWPNJXLDJV-UHFFFAOYSA-N
-rxn:4:219498:226236,CCCCOc1ncc(C)cc1-c1cnc(N2CCOC(C(=O)N3CCOCC3)C2)nc1OC,ZKGZYLJTNOENEI-UHFFFAOYSA-N
-rxn:4:219501:226231,CCCCOc1ncc(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)cc1C,VJTFNMRIQTWTNR-UHFFFAOYSA-N
-rxn:4:219531:223897,CSc1ncc(-c2ccc(C)c(OCCCN3CCOCC3)c2)c(N2CCOC(C(=O)N3CCCCC3)C2)n1,YSFXJQXNRMTSBD-UHFFFAOYSA-N
-rxn:4:219533:225728,CCCCOc1ccc(-c2cnc(SC)nc2N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1F,PNTONXKGQKKGPE-UHFFFAOYSA-N
-rxn:4:219535:224729,COc1nccc(-c2ccccc2C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1C(=O)OC(C)(C)C,MXWKEIATZZNIKT-UHFFFAOYSA-N
-rxn:4:219541:224593,Cc1cnc(N(C)C2CCCN(C(=O)c3ccccc3-c3ccc(F)c(CN4CCC(C)CC4)c3)C2)nc1,BAAPHCPQLKICJJ-UHFFFAOYSA-N
-rxn:4:219553:224497,CCN1CCN(Cc2ccc(-c3ccc(Cl)c(C(=O)N4CCC(c5nn(C)c(=O)n5C5CC5)CC4)c3)cc2)CC1,RQSLWAMORXZWSZ-UHFFFAOYSA-N
-rxn:4:219602:223649,CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccc(OC4CCN(C(=O)c5ccc6nsnc6c5)C4)nc3)c2)CC1,FQXMTACADRKLAY-UHFFFAOYSA-N
-rxn:4:219653:224672,CCN1CCN(c2ccc(-c3ccc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)sc4n3)c(Cl)c2)CC1,SEINGHRHIYHIAL-UHFFFAOYSA-N
-rxn:4:219654:225454,CN1CC=C(c2ccc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)cc2)CC1,LLZBRHSGWBISPT-UHFFFAOYSA-N
-rxn:4:219658:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cnc(OC4CCCN(C(=O)c5cc6ccccn6c5)C4)nc3)cnc21,IQERGXVBIXDSFM-UHFFFAOYSA-N
-rxn:4:219688:225979,CC(C)(C)OC(=O)N1CCC(c2nc3ccc(-c4cnc(N5CCOCC5)c(Cl)c4)cn3n2)CC1,UVZHUOUBPPJIAM-UHFFFAOYSA-N
-rxn:4:219759:224190,CCN1CCN(C(=O)c2cc3n(n2)CC(c2ccc(-c4ccc(OC)c(O[Si](C)(C)C(C)(C)C)c4)cc2)OC3)CC1,OMGSTKLVCIHJJF-UHFFFAOYSA-N
-rxn:4:219853:223842,CC(=O)N1CCN(c2ncc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(C)CC3)cc2C#N)CC1,XTBWPPCNTDKWFG-UHFFFAOYSA-N
-rxn:4:219939:222588,COc1cc(N2CCN(c3ncccc3-c3ccc(OCCN4CCC(O)CC4)c(F)c3)CC2=O)ccn1,FJQQKJLCXRECGX-UHFFFAOYSA-N
-rxn:4:219975:223897,Cc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)cc1OCCCN1CCOCC1,XIYKTOJGQGDXRM-UHFFFAOYSA-N
-rxn:4:219981:224073,CC[Si](CC)(CC)c1cc2cccc(-c3cnc(N4CCCC(C(=O)N5CCSCC5)C4)nc3)c2s1,SFUMYUMGEJDNQY-UHFFFAOYSA-N
-rxn:4:220039:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2nnc3n2CN(C(=O)OC(C)(C)C)CC3)c1,FKKSXFWRKHYOGZ-UHFFFAOYSA-N
-rxn:4:220040:222801,Cc1ccc(-c2nc3n(n2)CCN(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)NC(C)(C)C,RIZVOJXJHIYEQN-UHFFFAOYSA-N
-rxn:4:220137:223776,CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccc4nc(N5CCN(S(=O)(=O)C6CC6)CC5)ncc4c3)cc2C1,WHMCDBIUNNVXKG-UHFFFAOYSA-N
-rxn:4:220141:227694,COC(=O)c1cc(-c2ccc3c(C(=O)N4CCC(N5C(=O)CSC5=O)C4)n(C)nc3c2)cc(Cl)n1,LHLARIPSAAARNT-UHFFFAOYSA-N
-rxn:4:220149:223816,C[Si](C)(C)CCOCn1c(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)cc2c(Cl)ccnc21,PFRRGCCRDDSIEZ-UHFFFAOYSA-N
-rxn:4:220191:222977,Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N3CCOC(C(=O)N4CCCC4)C3)ncc2c1,RDSQMBXBTGCHSC-UHFFFAOYSA-N
-rxn:4:220204:226231,CCCCOc1ncc(-c2ccc3ncnc(N4CCOC(C(=O)N5CCOCC5)C4)c3c2)cc1C,GLNCOADYUNILMP-UHFFFAOYSA-N
-rxn:4:220221:223583,COC(=O)c1ccc2c(-c3ccc(C4Cn5nc(C(=O)N6CCN(C)CC6)cc5CO4)cc3)cn(C(=O)OC(C)(C)C)c2c1,UGGZPZHNKFQZCQ-UHFFFAOYSA-N
-rxn:4:220226:225089,CCCCCOc1ccc(-c2ccc3nc(N4CCCC(C(=O)N5CCOCC5)C4)ncc3c2)c(F)c1F,FNOXIYHKZKJHHA-UHFFFAOYSA-N
-rxn:4:220372:223504,Cc1cn(-c2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c([N+](=O)[O-])c3)nc(C3CC3)n2)cn1,QWDJPVIULHRBKH-UHFFFAOYSA-N
-rxn:4:220407:222588,CN1CCN(Cc2nn(C)cc2-c2ccc(OCCN3CCC(O)CC3)c(F)c2)CC1,CBYTWJAZNSMKJA-UHFFFAOYSA-N
-rxn:4:220495:223559,CC(=O)C(C)n1c(-c2ccc3c(c2)C(C)=CC(C)(C)N3C(=O)OC(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C,JWFAAQXTWZAOIC-UHFFFAOYSA-N
-rxn:4:220788:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOCC4)nn3)c(F)c2)CC1,LRBCSRSVZSLDPG-UHFFFAOYSA-N
-rxn:4:221088:224950,COc1ccc(-c2cnc(OCC3CCCN(Cc4nnc(C(F)(F)F)o4)C3)nc2)c(CN2CCCC2)c1,ZVHHLLWTSIUILG-UHFFFAOYSA-N
-rxn:4:221098:224649,Cn1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)ccc4OCC4CCCCO4)cn3)CC2)c(C(F)F)n1,HIBVTJQGTLBSJX-UHFFFAOYSA-N
-rxn:4:221101:225172,COc1nn(C)cc1C(=O)N1CCCC(COc2ncc(-c3cc(CN4CCOCC4)ccc3F)cn2)C1,YREGWCBYWNXNSY-UHFFFAOYSA-N
-rxn:4:221102:224325,CC(C)c1noc(CN2CCCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)C2)n1,JBBPZEWXDMNNEW-UHFFFAOYSA-N
-rxn:4:221105:225977,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cc(Cl)cnc4N4CCOCC4)cn3)C2)nc1C,BYDWLRNHBFHZKE-UHFFFAOYSA-N
-rxn:4:221111:224034,CCCCc1ccc(-c2ccc(-c3cccc(N4CC(C(=O)N5CCN(CCn6ccnc6)CC5)CC4=O)c3)cc2)cc1,RTXKUMIPBJXMJB-UHFFFAOYSA-N
-rxn:4:221116:222629,CCOc1ccc(-c2cc(C3CCCNC3)nc(C(C)(C)C)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,LDAJBTLRAPQYQW-UHFFFAOYSA-N
-rxn:4:221153:222723,N#Cc1ccnc(OCC2CCCN(c3ncc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)c1,WWKMGCRVGMZWJA-UHFFFAOYSA-N
-rxn:4:221162:224366,Cc1ccc(-c2ccc(OC(F)(F)F)c(OCC3CC3)c2)cc1C(=O)N(C)C1CN(c2nccnc2C#N)C1,WZUIYCAIMYYZSB-UHFFFAOYSA-N
-rxn:4:221172:223787,CN1CCN(CCCOc2ccc(-c3cnc(OCC4CCN(C(=O)c5ccc(=O)n(C)n5)CC4)nc3)cc2F)CC1,CIDOTFBIOQNKKM-UHFFFAOYSA-N
-rxn:4:221172:224325,Cn1nc(C(=O)N2CCC(COc3ncc(-c4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4)cn3)CC2)ccc1=O,HLPSREFOWGWHIL-UHFFFAOYSA-N
-rxn:4:221180:222429,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(CNC(=O)c5ccc(F)cc5C(F)(F)F)cc4)cn3)CC2)nn1C,APTSGQXXCGSTRC-UHFFFAOYSA-N
-rxn:4:221180:225051,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cc(F)cc(N5CCCC(C)C5)c4)cn3)CC2)nn1C,FCPOWLJGBUHKMN-UHFFFAOYSA-N
-rxn:4:221180:225992,Cc1cc(C(=O)N2CCC(COc3ncc(-c4cn(CC(C)C)nc4C(F)(F)F)cn3)CC2)nn1C,JUJWCSXZHAGCCV-UHFFFAOYSA-N
-rxn:4:221184:224373,COc1ccc(-c2cnc(OCC3CCCN(c4nc(C)cc(C)c4C#N)C3)nc2)cc1S(=O)(=O)N1CCCC1,QSJBKYRNUVROFW-UHFFFAOYSA-N
-rxn:4:221184:224617,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4ccc(OCCN5CCCC5)c(Cl)c4)cn3)C2)n1,AVZLYYIYGFUTDF-UHFFFAOYSA-N
-rxn:4:221184:224619,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4ccc(OCCN5CCCC5)c(F)c4)cn3)C2)n1,FTCTZMXSFPGVKH-UHFFFAOYSA-N
-rxn:4:221184:225186,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4ccc(F)c(CN5CCSCC5)c4)cn3)C2)n1,FLUACSWOWGJOOM-UHFFFAOYSA-N
-rxn:4:221185:223831,COc1ccc(-c2cnc(OCC3CCN(c4nc(C)cc(C)c4C#N)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,FGBYGCBKLWWMHA-UHFFFAOYSA-N
-rxn:4:221185:224286,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cn3)CC2)n1,QPNIWFDYNJWIDR-UHFFFAOYSA-N
-rxn:4:221185:225177,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4ccc(CN5CCSCC5)c(F)c4)cn3)CC2)n1,CWGBDAZIMXTCBO-UHFFFAOYSA-N
-rxn:4:221185:225186,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4ccc(F)c(CN5CCSCC5)c4)cn3)CC2)n1,LVIJHUGFBOWYJD-UHFFFAOYSA-N
-rxn:4:221186:225196,CN(CC1CCN(c2ncc(-c3cc(Cl)c(F)c(OC4CCCC4)c3)cn2)CC1)c1cc(C(F)(F)F)ccn1,HPIIGBKMMVTLIG-UHFFFAOYSA-N
-rxn:4:221190:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cn3)CC2)o1,DLSMNRLJXURRIN-UHFFFAOYSA-N
-rxn:4:221194:225827,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccnc(N5CCN(C)CC5)c4)cn3)CC2)cn1C,UVHOBFWXQQNSLV-UHFFFAOYSA-N
-rxn:4:221195:222604,COc1ccc(-c2ccc(C(=O)N3CCC(Cn4nc(-n5cccn5)ccc4=O)CC3)cc2)cc1S(=O)(=O)NC1CCCC1,IIBAOPNKYWOMOT-UHFFFAOYSA-N
-rxn:4:221232:223841,Cc1cc(F)c(-c2cnc(OCC3CCCN(c4nc5c(cc4C#N)COCC5)C3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,KEJWLRRYIIQEDN-UHFFFAOYSA-N
-rxn:4:221245:223597,Cc1nc2ccc(OCC3CCN(C(=O)c4cncc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(Cl)c5)c4)CC3)nn2c1C,JPSSFJKUJLSNNA-UHFFFAOYSA-N
-rxn:4:221247:225170,Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(-c4cc(F)ccc4CN4CCOCC4)cc3)nc2n(C)c1=O,JQGBOBKEPSHISW-UHFFFAOYSA-N
-rxn:4:221324:222602,CC(C)Cc1cc(-c2cnn(CC3CN(c4cc(C5CC5)ncn4)C3)c2)c(S(=O)(=O)NC(C)(C)C)s1,SQRHPLYSCLVPPE-UHFFFAOYSA-N
-rxn:4:221369:224618,Cn1nc(C(=O)N2CCCC(Oc3ncc(-c4ccnc(CO[Si](C)(C)C(C)(C)C)c4)cn3)C2)ccc1=O,CJKCOJFYHLXTOB-UHFFFAOYSA-N
-rxn:4:221394:223992,Cc1ccc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,AKUHVGISHPNFPU-UHFFFAOYSA-N
-rxn:4:221394:223993,Cc1cc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)ccc1S(=O)(=O)N1CCN(C)CC1,RUBNFHQHIFXFCI-UHFFFAOYSA-N
-rxn:4:221395:223893,CCN1CCN(CCOc2cccc(-c3cnc(N4CCC(Cn5cnc(C6CC6)cc5=O)CC4)nc3)c2)CC1,JDSGNJGBIMBDAY-UHFFFAOYSA-N
-rxn:4:221398:225338,CN1CCN(C(=O)N2CCC(Oc3ncc(-c4ccc(F)c(COCC(F)(F)F)c4)cn3)CC2)CC1,UGENBIFQRMGUEN-UHFFFAOYSA-N
-rxn:4:221421:222967,CC(C)CNC(=O)c1cccc(-c2cccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)c2)c1,FZMTVCQEJXPMAH-UHFFFAOYSA-N
-rxn:4:221434:222743,CC(c1ccc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1)N1CCC(O)CC1,OKFJBRQHDFGNOQ-UHFFFAOYSA-N
-rxn:4:221436:222623,CCC(C)c1cc(-c2ccc(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)cc2)cc(C2CCNCC2)n1,XWACHUGRBZQOQD-UHFFFAOYSA-N
-rxn:4:221443:226085,Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(-c4ccc5c(c4)CCC(C)(C)O5)c3)CC2)n1,HQMJVPLQDBUWAD-UHFFFAOYSA-N
-rxn:4:221449:222826,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc3)CC2)n1,ZBSQKMKZENKQRR-UHFFFAOYSA-N
-rxn:4:221449:223168,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccnc4N4CCNCC4)cc3)CC2)n1,NKQKENGAFNPSLU-UHFFFAOYSA-N
-rxn:4:221453:225518,CCCCCOc1ncc(C)cc1-c1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1,VBHUYBROBCQPMK-UHFFFAOYSA-N
-rxn:4:221497:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCN(C(=O)c5cnc6ccccc6n5)CC4)nc3)cc2)CC1,KHBJQYXUXRENOV-UHFFFAOYSA-N
-rxn:4:221507:224369,CCN(CC)S(=O)(=O)c1cc(-c2cnc(OCC3CCCN(c4ncnc5c4CCC5)C3)nc2)c(F)cc1C,CWANGLNFTAYDBQ-UHFFFAOYSA-N
-rxn:4:221515:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N4CC5CN(c6cc(C7CC7)ncn6)CC5C4)c3)c(F)c2)CC1,ACPQRNKFAMFQIQ-VCWSNOSPSA-N
-rxn:4:221538:224975,CCN1CCN(c2ccc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,JGCHHRHBMUWDJO-UHFFFAOYSA-N
-rxn:4:221602:223499,Cc1cnn(CC2CN(c3ncc(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cn3)C2)c1,UTSGXUNZFGRMPJ-UHFFFAOYSA-N
-rxn:4:221641:223834,Cc1cc(-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,YOECSAQQOLARGX-UHFFFAOYSA-N
-rxn:4:221641:223993,Cc1cc(-c2cnc(N3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2)ccc1S(=O)(=O)N1CCN(C)CC1,RQFOGNCDKKREPZ-UHFFFAOYSA-N
-rxn:4:221726:222771,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(-c3ccc(F)c(C(=O)NC4CCCC4)c3)cn2)CC1,IZRAZJHZVKABJE-UHFFFAOYSA-N
-rxn:4:221832:223695,O=S1(=O)N=C(N2CCN(c3ncc(-c4cccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cn3)CC2)c2ccccc21,HSCOQMBLEAUFMQ-UHFFFAOYSA-N
-rxn:4:221832:224178,CN1CCN(CCOc2cccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c2)CC1,KPBZNKQMJXIWND-UHFFFAOYSA-N
-rxn:4:221925:224322,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccccc5-c5ccc(S(=O)(=O)N6CCC(C)CC6)cc5)no4)C3C2=O)cc1,DIBNZSZOEKNFOA-UHFFFAOYSA-N
-rxn:4:221938:224592,Cn1cc(C(=O)N2CCCC(COc3ncc(-c4cc(C5(C#N)CCCCC5)ccc4F)cn3)C2)nn1,CLRWZIWMFIHFLZ-UHFFFAOYSA-N
-rxn:4:221967:224022,CC(=O)C(C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)c1=O,MRDUYRAGXPXDTB-UHFFFAOYSA-N
-rxn:4:221977:223695,O=S(=O)(c1cccc(-c2cnc(OCC3CCCN(c4nccn5nc(C6CC6)cc45)C3)nc2)c1)N1CCC2(CC1)OCCO2,HZZYWFAUYLLQRO-UHFFFAOYSA-N
-rxn:4:221980:225809,CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cncc(-c5cc(F)ccc5OC5CCOC5)c4)sc3n2)CC1,RJXVLOYDXFUDQB-UHFFFAOYSA-N
-rxn:4:221985:224286,Cn1cc(-c2nc3cnc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,NKUKJVCPXQVVGQ-XMMPIXPASA-N
-rxn:4:221985:225179,Cn1cc(-c2nc3cnc(-c4cccc(Cl)c4CN4CCOCC4)cc3n2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1,WZQXVVLVCMZYGG-JOCHJYFZSA-N
-rxn:4:221985:226555,CCCOc1cc(-c2cc3c(cn2)nc(-c2cnn(C)c2)n3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(F)cc1F,PHWXWBHJOHMPAC-LJQANCHMSA-N
-rxn:4:222039:223727,CCCCCc1ccc(-c2cccc(F)c2-c2ccc(-n3cnnn3)c(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c2)cc1,VLWWKMHEEDVSEM-UHFFFAOYSA-N
-rxn:4:222054:225175,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)c(CN6CCOCC6)c5)o4)CC3)nn2)CC1,ZGEGZNYWOLIBOO-UHFFFAOYSA-N
-rxn:4:222054:225188,CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(Cl)c(CN6CCOCC6)c5)o4)CC3)nn2)CC1,ZDYPJDZOMMXRNV-UHFFFAOYSA-N
-rxn:4:222062:222723,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cc3)CC2)n1,RRROBUWNRGVYJX-UHFFFAOYSA-N
-rxn:4:222089:224755,O=C(c1ccc(F)c(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1)N1CCOCC1,PJNWCHGZDBBSPM-UHFFFAOYSA-N
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-rxn:5:177184:225833:222985,CCOC(=O)c1c(-c2ccc(C3CCCNC3)nc2C)ccc(C)c1-c1ccnc(N2CCCCC2)c1F,QOQLSKMVBRPAQN-UHFFFAOYSA-N
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-rxn:5:177190:225803:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccnc(OC3CCOCC3)c2)c1,LGUMQLYCRGRHDN-UHFFFAOYSA-N
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-rxn:5:177190:225805:225639,CCS(=O)(=O)Cc1ccc(-c2cccnc2N2CCC(C)CC2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,KSQPNWZZDPVGBO-UHFFFAOYSA-N
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-rxn:5:177191:223001:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)C4CC4)c(-c4cc(C5CCCNC5)ccc4F)c3)c2)CCC1,UVTSWDDPLKJZKP-UHFFFAOYSA-N
-rxn:5:177192:225800:223062,CCOC(=O)c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(C(=O)N3CCSC3)cc2)c1C,HGFDFFZPBVIJJA-UHFFFAOYSA-N
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-rxn:5:177729:226596:225456,CC(C)Oc1c(F)ccc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccc(C4CCN(C)CC4)cc3)c2)c1F,CCUYRULEFUBJDK-UHFFFAOYSA-N
-rxn:5:177730:223139:223054,CC(c1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,OMMLVMPHUUUVSS-UHFFFAOYSA-N
-rxn:5:177732:223054:223142,CC(c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(C3CCCNC3)nc2)s1)N1CCC(O)C1,NMYLMZKSBZDZNW-UHFFFAOYSA-N
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-rxn:5:177733:225980:226663,CC(C)(C)OC(=O)c1cc(-c2ccc(N3CCSCC3)nc2)cc(-c2cc(N3CCOCC3)ncc2F)c1,MDRZAPHAKMNPFT-UHFFFAOYSA-N
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-rxn:5:177736:223007:225594,CC(C)(C)OC(=O)c1ccc(-c2ccc(F)cc2CN2CCCC2)c(-c2cc(F)cc(C3CCNCC3)c2)c1,QQLCBSQJVLYSKR-UHFFFAOYSA-N
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-rxn:5:177891:223131:226661,CN1CCN(c2csc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(N4CCNCC4)cc3)c2)CC1,VHQMDZQXEKZKCH-UHFFFAOYSA-N
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-rxn:5:177891:223139:222418,NS(=O)(=O)c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCNCC3)nc2)cc1,KDFYMRWJYPMRFB-UHFFFAOYSA-N
-rxn:5:177891:223140:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1ccnc(C2CCCNC2)c1,QPDSSAGFTWZMSI-UHFFFAOYSA-N
-rxn:5:177891:223140:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1ccnc(C2CCCNC2)c1,LZIRWPIZHLWLQA-UHFFFAOYSA-N
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-rxn:5:177891:223285:228210,CS(=O)(=O)Nc1ccccc1-c1ccccc1C(=O)SC1CS(=O)(=O)CC1c1ccc(N2CCCC2)s1,MABKMFADAHTENJ-UHFFFAOYSA-N
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-rxn:5:177891:225462:228504,CC1CCN(c2cccc(-c3ccccc3C(=O)SC3CS(=O)(=O)CC3c3cccc4c3CCC4)c2)CC1,LJYWAGDNQBRHRU-UHFFFAOYSA-N
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-rxn:5:177891:226447:228629,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCC2)s1)c1ccccc1-c1ccnc(C2CCOCC2)c1,ZPWKTLWBFMTKRJ-UHFFFAOYSA-N
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-rxn:5:178121:227449:227768,CN(C)S(=O)(=O)n1cccc1-c1cccc(OCC2CCOCC2)c1-c1ccc(C2CCOCC2)s1,OXHSDZGQXYUPJX-UHFFFAOYSA-N
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-rxn:5:178313:227057:225498,COc1cccc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2cc(C3CCCCC3)ccc2F)c1C1CC1,ITQODLZFJDTLDS-UHFFFAOYSA-N
-rxn:5:178313:227311:225450,CCC(C)c1cc(F)c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2-c2ccc(C(=O)C3CCCC3)cc2)cn1,XICZQGHHTWLYDP-UHFFFAOYSA-N
-rxn:5:178314:225450:227045,CC(C)(C)Sc1cccc(-c2ccc(-c3ccc(C(=O)C4CCCC4)cc3)cc2O[Si](C)(C)C(C)(C)C)c1,NQLPEGZABCDHDC-UHFFFAOYSA-N
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-rxn:5:178314:227045:225450,CC(C)(C)Sc1cccc(-c2ccc(-c3ccc(C(=O)C4CCCC4)cc3)c(O[Si](C)(C)C(C)(C)C)c2)c1,NVHFJPKKECBMNJ-UHFFFAOYSA-N
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-rxn:5:178315:225394:226067,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCCC3)cc2)cc(-c2cc(C3CCC3)cc(C3CC3)c2)c1,ZQHFWFURYRXJFS-UHFFFAOYSA-N
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-rxn:5:178467:227412:225794,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCCCC4)nc3)cc(-c3cnc(C(C)(C)C)cc3F)c2OC1,QMXVPBJHDQHYMG-UHFFFAOYSA-N
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-rxn:5:178467:228320:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccnc(C(=O)OC)c3)c2OC1,JKUFLOTXLILROC-UHFFFAOYSA-N
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-rxn:5:178467:228871:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3sccc3C(=O)OC)c2OC1,CSYGHLRAALLDCO-UHFFFAOYSA-N
-rxn:5:179418:222982:225805,CC(c1ccc(-c2ccc(CS(C)(=O)=O)cc2-c2ccc(CN3CC[C@@H](O)C3)cc2)s1)N1CCOCC1,FWLFBRHRTWUCAO-UIDYPRJRSA-N
-rxn:5:180021:226142:226898,COc1c(-c2cccc(OC3CCCC3)c2)cc(C2OCCO2)cc1-c1cn(S(=O)(=O)N(C)C)nc1C,KLNRRJKSNLFTKO-UHFFFAOYSA-N
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-rxn:5:180297:225986:227125,COc1cc(-c2ccccc2N2CCCS2(=O)=O)c(C2(C)OCCO2)cc1-c1ccccc1C1CCOC1,IPKKPMKHPVNQTC-UHFFFAOYSA-N
-rxn:5:180506:226324:227803,CN(C)S(=O)(=O)n1nccc1-c1c(-c2cccnc2OC2CCCC2)cc(C(C)(C)C)cc1C1OCCO1,WFLYUBUVUILWTK-UHFFFAOYSA-N
-rxn:5:180602:226366:225976,COC(=O)C1Cc2cc(-c3ccnc(N4CCOCC4)c3F)cc(-c3ccnc(N4CCCCC4)c3)c2O1,ICMYVQSHUZYPBR-UHFFFAOYSA-N
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-rxn:5:180662:223010:222989,COC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3C)cc(-c3ccc(C4(O)CCOCC4)cc3)c2OC1,UTGMJBQCQKYGFC-UHFFFAOYSA-N
-rxn:5:180662:223200:225926,COC(=O)C1=Cc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3ccc(C4CCNC4)cc3)c2OC1,DLDXLZAKHPBHPJ-UHFFFAOYSA-N
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-rxn:5:180662:225978:227495,CCN(C)c1cc(-c2cc3c(c(-c4ccc(N5CCOCC5)nc4F)c2)OCC(C(=O)OC)=C3)c(F)cn1,BBQIUWUPZZKWNC-UHFFFAOYSA-N
-rxn:5:180662:225982:225849,COC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,DMRHKAJEZGJJHT-UHFFFAOYSA-N
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-rxn:5:180662:226590:227803,COC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccc(OC4CCOC4)nc3)c2OC1,IQBPAMUBPLALEG-UHFFFAOYSA-N
-rxn:5:180662:226744:226794,CCc1cc(-c2cc(-c3cnc(N4CCSCC4)nc3)cc3c2OCC(C(=O)OC)=C3)cnc1C(F)(F)F,IDWVNCZGHYXZOL-UHFFFAOYSA-N
-rxn:5:180662:227280:223001,COC(=O)C1=Cc2cc(-c3cc(C4CCCNC4)ccc3F)cc(-c3cc(C#N)ncc3C(C)C)c2OC1,JANNVYFPEFOZIZ-UHFFFAOYSA-N
-rxn:5:181906:225407:225639,Cc1ccc(-c2ccc(C3CCCCCC3)cc2)c(C2OCCO2)c1-c1cccnc1N1CCC(C)CC1,KBLPBDAKCDBPKI-UHFFFAOYSA-N
-rxn:5:181907:225598:225683,Cc1cc(-c2cccc(CN3CCSCC3)c2)c(-c2ccc(C3CCCOC3)nc2C)c(C2OCCO2)c1,FQOHSHXHKOKECN-UHFFFAOYSA-N
-rxn:5:181907:226686:222987,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1,FNTBBTFOYAVOJL-UHFFFAOYSA-N
-rxn:5:181908:225636:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccnc(N3CCC(C)CC3)c2)cc(C2CCCNC2)c1,IRODOWJDVOAOIQ-UHFFFAOYSA-N
-rxn:5:182010:225832:226447,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccnc(C3CCOCC3)c2)ccc1C1CCOCC1,MLLGFEROEOKHSC-UHFFFAOYSA-N
-rxn:5:182011:222960:225683,Cc1cc(-c2ccc(C3CCOCC3)cc2-c2ccc(C3CCCOC3)nc2C)cc(C2CCNCC2)c1,NDCIHIHDZPDYKW-UHFFFAOYSA-N
-rxn:5:182011:225884:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ccc1-c1ccc(C2COCCO2)c(F)c1,ZJAZDXMLVSERPH-UHFFFAOYSA-N
-rxn:5:182012:222981:226686,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2ccnc(NC3CCCCC3)c2)cc1C1CCCOC1,AJBLTSZDJFKBBZ-UHFFFAOYSA-N
-rxn:5:182013:225832:227103,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2sccc2C2CCCCC2)c(C2CCOCC2)c1,VRWHXPGQISYQAC-UHFFFAOYSA-N
-rxn:5:183190:225925:225822,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(-c2cccc(C(F)(F)F)c2C2CC2)cc2c1CC(C)(C)C2=O,LINUZCXZPCZHER-UHFFFAOYSA-N
-rxn:5:188379:225607:223001,CCOC(=O)c1cc(-c2cc(C3CCCNC3)ccc2F)ncc1-c1ccc(C(C)N2CCCCC2)s1,CCVLMLVQKRKSIX-UHFFFAOYSA-N
-rxn:5:188448:225592:223137,COC(=O)c1cc(-c2cncc(C3CCCNC3)c2)c([N+](=O)[O-])cc1-c1cc(F)ccc1CN1CCCC1,XAQMNLLRGDXAPP-UHFFFAOYSA-N
-rxn:5:188459:225834:226180,COC(=O)c1cc([N+](=O)[O-])c(-c2cc(N3CCCCC3)ncc2F)cc1-c1cc(C)nc(C2CCCC2)c1,GKQCCRVOMKIGCQ-UHFFFAOYSA-N
-rxn:5:188461:226422:222987,COC(=O)c1cc([N+](=O)[O-])cc(-c2cc(F)ccc2N2CCCC2)c1-c1ccc(C2CCNCC2)nc1C,KFXUXNDLVVNGGL-UHFFFAOYSA-N
-rxn:5:188877:222405:225806,CON(C)C(=O)c1ccc(-c2cnc(OC3CCCC3)cc2F)c(-c2cccc(C3NC(=O)NC3=O)c2)c1,YWZQVNGVWIUULU-UHFFFAOYSA-N
-rxn:5:188930:223061:222986,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCNCC3)ncc2F)cc1-c1cc(C)nc(C2CCCNC2)c1,OPQASGYWIKZBDT-UHFFFAOYSA-N
-rxn:5:188930:223138:223006,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)cc1-c1ccc(F)c(C2CCNCC2)c1,UNDOIEFPONJKTK-UHFFFAOYSA-N
-rxn:5:188930:223138:226649,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)cc1-c1cccnc1N1CCOCC1,HNQLEPRMWHPKSS-UHFFFAOYSA-N
-rxn:5:188930:226901:226844,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccc(S(F)(F)(F)(F)F)c2)cc1-c1ccnc(C(=O)C(F)(F)F)c1,NBFRRGSALCREEL-UHFFFAOYSA-N
-rxn:5:189001:225930:223294,COC(=O)C1(c2nc(-c3csc(N4CCNCC4)n3)ccc2-c2cc(C)ccc2S(=O)(=O)N(C)C)CC1,NFBPHYWPFPOZCF-UHFFFAOYSA-N
-rxn:5:189078:223065:226661,CCN(C)C(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1cc(N2CCN(C)CC2)cs1,GFFVYRFXTYRJMH-UHFFFAOYSA-N
-rxn:5:189078:223065:226662,CCN(C)C(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)ccc1-c1ccc(N2CCN(C)CC2)s1,PZOCDCIHLFHXOM-UHFFFAOYSA-N
-rxn:5:189078:225980:226661,CCN(C)C(=O)c1cc(-c2cc(N3CCOCC3)ncc2F)ccc1-c1cc(N2CCN(C)CC2)cs1,XJVQUATUTFPIBH-UHFFFAOYSA-N
-rxn:5:189078:225980:226662,CCN(C)C(=O)c1cc(-c2cc(N3CCOCC3)ncc2F)ccc1-c1ccc(N2CCN(C)CC2)s1,GABXVTHNJKQNMG-UHFFFAOYSA-N
-rxn:5:189078:226661:223065,CCN(C)C(=O)c1cc(-c2cc(N3CCN(C)CC3)cs2)ccc1-c1ccc(N2CCNCC2)cc1F,YPMINTABWHDXON-UHFFFAOYSA-N
-rxn:5:189208:223058:228306,CC(C)Sc1ncc(-c2cc(-c3cc(F)nc(C4CCCNC4)c3)ccc2C(=O)ON2C(=O)CCC2=O)cn1,VKCWFRNZXWVPRC-UHFFFAOYSA-N
-rxn:5:189208:227408:227278,N#CC1(c2ccc(-c3cc(-c4cc(C5CCC5)ncc4F)ccc3C(=O)ON3C(=O)CCC3=O)cn2)CC1,GOOXQYSRAOYFFA-UHFFFAOYSA-N
-rxn:5:189209:226320:228221,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cc(F)nc(C5CC5)c4)c3)c2)CC1,XKSIEUIFKIUIPA-UHFFFAOYSA-N
-rxn:5:189209:226679:223352,CC(C)Nc1ccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cnc(N4CCCC4)cc3F)c2)cn1,GLMMKCOTPBYWNC-UHFFFAOYSA-N
-rxn:5:189209:227024:223001,CC(c1cccc(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(C4CCCNC4)ccc3F)c2)c1)N(C)C,LNBCZRHUYZEHOA-UHFFFAOYSA-N
-rxn:5:189209:227278:227408,N#CC1(c2ccc(-c3cc(C(=O)ON4C(=O)CCC4=O)cc(-c4cc(C5CCC5)ncc4F)c3)cn2)CC1,WNYDBNZECQGYRS-UHFFFAOYSA-N
-rxn:5:189209:229056:225498,CC(C)n1nccc1-c1cc(C(=O)ON2C(=O)CCC2=O)cc(-c2cc(C3CCCCC3)ccc2F)c1,XEAGUNQIYXHDEA-UHFFFAOYSA-N
-rxn:5:189211:225622:228110,CCc1cnc(C#N)cc1-c1c(C(=O)ON2C(=O)CCC2=O)cccc1-c1ccccc1OC1CCCCO1,JIBFQTUJWXTLQM-UHFFFAOYSA-N
-rxn:5:189212:225602:228701,N#CC1(c2ccc(F)c(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3-c3cnc(C4CC4)nc3)c2)CCC1,JOGKQWNARCARTQ-UHFFFAOYSA-N
-rxn:5:189212:226438:227980,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(C3CC3)cc2F)c(-c2cnc(C3CCCC3)cc2F)c1,YQSCOAXVOLRQJD-UHFFFAOYSA-N
-rxn:5:189212:228701:225602,N#CC1(c2ccc(F)c(-c3ccc(C(=O)ON4C(=O)CCC4=O)cc3-c3cnc(C4CC4)nc3)c2)CCC1,OBBKZQCJLZRVEO-UHFFFAOYSA-N
-rxn:5:189319:226137:226661,CC(C)c1ncc(C2CC2)cc1-c1ccc(-c2cc(N3CCN(C)CC3)cs2)nc1C(=O)OC(C)(C)C,ZZUYHBMCDZWDEV-UHFFFAOYSA-N
-rxn:5:189319:226137:226662,CC(C)c1ncc(C2CC2)cc1-c1ccc(-c2ccc(N3CCN(C)CC3)s2)nc1C(=O)OC(C)(C)C,SHBGWWKKXXLCGG-UHFFFAOYSA-N
-rxn:5:189320:225980:225605,Cc1cnc(OC2CCCC2)c(-c2ncc(C(=O)OC(C)(C)C)cc2-c2cc(N3CCOCC3)ncc2F)c1,SJMXYMKTYQKHKM-UHFFFAOYSA-N
-rxn:5:189322:226661:227279,CC(C)n1nc(C2CC2)cc1-c1ncc(-c2cc(N3CCN(C)CC3)cs2)cc1C(=O)OC(C)(C)C,KKJHNLIMWCVIAW-UHFFFAOYSA-N
-rxn:5:189449:226350:226603,COC(=O)c1cc(F)c(C)c(-c2ccc(-c3ccc(C)c(C(=O)OC)c3C)c(C(=O)N3CC(OC)C3)c2)c1,JTRNLSYGNAOYTA-UHFFFAOYSA-N
-rxn:5:189449:227277:223064,COC1CN(C(=O)c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2-c2ccc(N(C)C)c(C#N)c2)C1,RACLMVRBCGHYEW-UHFFFAOYSA-N
-rxn:5:189513:225636:223062,CC1CCN(c2cc(-c3ccc([N+](=O)[O-])c(S(=O)(=O)c4ccc(-c5cnc(C6CCNCC6)cc5F)cc4)c3)ccn2)CC1,QUNHLYDWIBFIIZ-UHFFFAOYSA-N
-rxn:5:189662:227710:222987,Cc1nc(C2CCNCC2)ccc1-c1ncc(-c2ccc(OS(C)(=O)=O)cc2)cc1OCC1CCOCC1,PDAMEPVEIQRQJU-UHFFFAOYSA-N
-rxn:5:189664:226911:225816,CCc1cc(C)cc(CC)c1-c1ccc(CC(=O)N2CCCC2)c(-c2cc(C3CC3)ccc2C(F)(F)F)c1,OOBLUBXXMIXEAQ-UHFFFAOYSA-N
-rxn:5:189669:227052:225498,CC(C)(C)Sc1ccc(-c2ccc(/C=N/S(=O)C(C)(C)C)cc2-c2cc(C3CCCCC3)ccc2F)cc1,RBZHZJZYXIBQAP-FADJLKOXSA-N
-rxn:5:189670:225584:225820,CC(C)(C)S(=O)/N=C/c1cc(-c2ccc(C(=O)N3CCCC3)cc2)ccc1-c1c(C2CC2)cccc1C(F)(F)F,XWONRHRAEWLJPO-ZSNJKBEMSA-N
-rxn:5:189671:225641:226869,CC1CCCN(c2cc(-c3cccc(-c4cc(F)cc(OC(F)(F)F)c4)c3/C=N/S(=O)C(C)(C)C)ccn2)C1,QMIWTZYYDLFSAR-XJECJHNESA-N
-rxn:5:189672:225440:226916,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(C3(C#N)CCCC3)cc2)c1-c1cccc(C2=CCCC2)c1,DVAGOLVHRTZCHR-GOJREDGKSA-N
-rxn:5:189675:225437:227561,COc1cc(F)c(-c2ccc(-c3cccc(CN4CCCCC4)c3)c(/C=N/S(=O)C(C)(C)C)c2)cc1OC,PKJUBCJKOUIRPM-FMFFXOCNSA-N
-rxn:5:189676:226767:226765,COC(=O)c1ccc(-c2ccc(CC(=O)N3CCCC3)cc2-c2cc(OC)ccc2C(F)(F)F)c(F)c1F,JTFVPZXHHJOJBL-UHFFFAOYSA-N
-rxn:5:189827:228219:222991,CC(C)c1cc(F)c(-c2cc(CC(=O)N3CCOCC3)ccc2-c2ccc(N3CCCC(O)C3)cc2)cn1,OLVPNTZWOVOSOC-UHFFFAOYSA-N
-rxn:5:189829:228102:223064,COc1c(-c2ccc(C3CCNCC3)nc2F)cc(C(=O)N2CCCC2)cc1-c1cncnc1CC(C)C,MUBFMNLWKYUVDE-UHFFFAOYSA-N
-rxn:5:189829:228157:226031,COc1ccc(-c2cc(C(=O)N3CCCC3)cc(-c3ccc(C(F)(F)F)cc3C(F)F)c2OC)c(OC)c1,GQVZLWICHTWFFA-UHFFFAOYSA-N
-rxn:5:189910:223061:226679,Fc1cnc(C2CCNCC2)cc1-c1ccc(-c2cnc(N3CCCC3)cc2F)c(CCN2CCOCC2)c1,UXQHGPMDWUCCQW-UHFFFAOYSA-N
-rxn:5:189952:223294:226679,COc1c(-c2csc(N3CCNCC3)n2)cc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCCC2)cc1F,PZYGYFHBWXNNHJ-UHFFFAOYSA-N
-rxn:5:189952:223378:225784,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnc2c(c1)NCCO2,RPLLFGALQWAFDZ-UHFFFAOYSA-N
-rxn:5:189952:225784:222417,COc1c(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)N2CCOCC2)cc1-c1cnc(=O)[nH]c1C(C)C,VLVFCAIFRDRBGD-UHFFFAOYSA-N
-rxn:5:189952:225978:225976,COc1c(-c2ccc(N3CCOCC3)nc2F)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,KBHLAWPIJRWHSC-UHFFFAOYSA-N
-rxn:5:190000:225453:227045,CC(C)(C)Sc1cccc(-c2ccc(CC(=O)N3CCCCC3)c(-c3cccc(SC4CCCCC4)c3)c2)c1,DSDHNMMDKXFCAN-UHFFFAOYSA-N
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-rxn:5:190097:225607:223266,CNC(=O)c1ccc(F)cc1-c1ccc(-c2ccc(C(C)N3CCCCC3)s2)cc1CCN1CCCCC1,VRQMRLXUUYKCEK-UHFFFAOYSA-N
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-rxn:5:190740:226661:225834,CCOC(=O)c1cnc2c(C)cc(-c3cc(N4CCN(C)CC4)cs3)cc2c1-c1cc(N2CCCCC2)ncc1F,PGHSDBKBZFUQHD-UHFFFAOYSA-N
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-rxn:5:190742:223001:225600,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCCNC4)ccc3F)c2c1-c1cccnc1OC1CCCCC1,RDALWDBQXJESLZ-UHFFFAOYSA-N
-rxn:5:190742:225592:225589,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)ccc3CN3CCCC3)c2c1-c1ccc(CN2CCSCC2)cc1,DSXMGOPNIHCKFJ-UHFFFAOYSA-N
-rxn:5:190742:225592:225666,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)ccc3CN3CCCC3)c2c1-c1cc(F)cc(N2CCCCC2)c1,GZMPKMHHYXBUIY-UHFFFAOYSA-N
-rxn:5:190742:225593:226583,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)cc(CN4CCCC4)c3)c2c1-c1ccc(CN2CCOCC2)s1,PCEQSYHOOZYNEY-UHFFFAOYSA-N
-rxn:5:190742:225666:225666,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)cc(N4CCCCC4)c3)c2c1-c1cc(F)cc(N2CCCCC2)c1,SLWYPQHRFFCVOD-UHFFFAOYSA-N
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-rxn:5:190742:225784:225809,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)nc3)c2c1-c1cc(F)ccc1OC1CCOC1,KDKAERRAORXQOU-UHFFFAOYSA-N
-rxn:5:190742:225809:225831,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)ccc3OC3CCOC3)c2c1-c1cnc(N2CCOCC2)c(C)c1,TWVPYTMWSJLWIY-UHFFFAOYSA-N
-rxn:5:190742:225831:225684,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)c(C)c3)c2c1-c1ccc(C2CCOCC2)nc1C,DSNVIAPSJMEARB-UHFFFAOYSA-N
-rxn:5:190742:225831:225784,CCOC(=O)c1cnc2c(C)ccc(-c3cnc(N4CCOCC4)c(C)c3)c2c1-c1ccc(CN2CCOCC2)nc1,NHRZVTBFSMQOPJ-UHFFFAOYSA-N
-rxn:5:190742:225833:225849,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCCCC4)c3F)c2c1-c1cnc(N2CCCCC2)cc1F,HPWXHCCSNPSURH-UHFFFAOYSA-N
-rxn:5:190742:225870:225589,CCOC(=O)c1cnc2c(C)ccc(-c3cc(F)cc(N4CCOCC4)c3)c2c1-c1ccc(CN2CCSCC2)cc1,PEOJVHIPKJURQA-UHFFFAOYSA-N
-rxn:5:190742:225976:226583,CCOC(=O)c1cnc2c(C)ccc(-c3ccnc(N4CCOCC4)c3F)c2c1-c1ccc(CN2CCOCC2)s1,NEHACQYHEWDVKF-UHFFFAOYSA-N
-rxn:5:190742:226583:225591,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1cc(CN2CCCC2)ccc1F,ZMKOOHZUEHCLMW-UHFFFAOYSA-N
-rxn:5:190742:226583:225784,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1ccc(CN2CCOCC2)nc1,JGQGZKQQASVVOT-UHFFFAOYSA-N
-rxn:5:190742:226583:225831,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(CN4CCOCC4)s3)c2c1-c1cnc(N2CCOCC2)c(C)c1,ONGURTJAOBTPOW-UHFFFAOYSA-N
-rxn:5:190742:226662:223065,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1ccc(N2CCNCC2)cc1F,PSMJKGNTBBKBGN-UHFFFAOYSA-N
-rxn:5:190742:226662:225978,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1ccc(N2CCOCC2)nc1F,IMGBVQOEXYFZQK-UHFFFAOYSA-N
-rxn:5:190742:226662:225980,CCOC(=O)c1cnc2c(C)ccc(-c3ccc(N4CCN(C)CC4)s3)c2c1-c1cc(N2CCOCC2)ncc1F,SQNAERCXUDGDSO-UHFFFAOYSA-N
-rxn:5:190743:223062:223064,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(C2CCNCC2)nc1F,JLXIXESDRQLXRU-UHFFFAOYSA-N
-rxn:5:190743:223062:225881,CCOC(=O)c1cnc2c(C)c(-c3cnc(C4CCNCC4)cc3F)ccc2c1-c1ccc(C2CCOCC2)nc1F,IAMUNWVYOLXGQQ-UHFFFAOYSA-N
-rxn:5:190743:225784:225784,CCOC(=O)c1cnc2c(C)c(-c3ccc(CN4CCOCC4)nc3)ccc2c1-c1ccc(CN2CCOCC2)nc1,ZDEUGJPEDGQLNX-UHFFFAOYSA-N
-rxn:5:190743:226662:225834,CCOC(=O)c1cnc2c(C)c(-c3ccc(N4CCN(C)CC4)s3)ccc2c1-c1cc(N2CCCCC2)ncc1F,IAGWTYDDSGTXTP-UHFFFAOYSA-N
-rxn:5:190744:225980:225982,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)c(C)ccc2c1-c1cnc(N2CCOCC2)cc1F,GSOLKMWHSQJEIZ-UHFFFAOYSA-N
-rxn:5:190795:226663:225605,Cc1cnc(OC2CCCC2)c(-c2ccc3c(-c4ccc(N5CCSCC5)nc4)cn(C(=O)OC(C)(C)C)c3c2)c1,JXJGKLYTMCKGOF-UHFFFAOYSA-N
-rxn:5:190797:223062:223131,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(N4CCNCC4)cc3)cc(-c3cnc(C4CCNCC4)cc3F)cc21,UUCRVNOOWNKNSA-UHFFFAOYSA-N
-rxn:5:190797:225407:226058,CC(C)c1cccc(C(C)C)c1-c1cc(-c2ccc(C3CCCCCC3)cc2)cc2c1ccn2C(=O)OC(C)(C)C,PUAOMJXLSAADPV-UHFFFAOYSA-N
-rxn:5:190797:227119:225407,CC(C)(C)OC(=O)n1ccc2c(-c3ccc(C4CCCCCC4)cc3)cc(-c3cc(C4CCCCC4)cs3)cc21,ANPVUAAURJINKS-UHFFFAOYSA-N
-rxn:5:190832:225611:223141,CCOC(=O)c1cnc2cc(C)c(-c3ccc(N4CCCC4)cc3OC)c(C)c2c1-c1cncc(C2CCNCC2)c1,CDGJEVLWICBLES-UHFFFAOYSA-N
-rxn:5:190832:226663:225849,CCOC(=O)c1cnc2cc(C)c(-c3ccc(N4CCSCC4)nc3)c(C)c2c1-c1cnc(N2CCCCC2)cc1F,MKYRTNGYZBSOQD-UHFFFAOYSA-N
-rxn:5:190859:226150:226907,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccc(SC3CCCC3)c1)c2-c1cccc2c1CCC21CC1,IJLBOCZJQGXXFV-UHFFFAOYSA-N
-rxn:5:190998:223056:228712,COC(=O)c1cc(-c2ccnn2C2CCC2)ccc1N1Cc2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2OCC1=O,LCMBVXZWMMJDGB-UHFFFAOYSA-N
-rxn:5:191026:225499:228553,CCSc1ccc(-c2cc(N3C=C(C(=O)OC)S(=O)(=O)c4ccc(-c5ccc(C6CCCCC6)cc5F)cc43)ccc2C)cc1,YEQZOKKORGTGLC-UHFFFAOYSA-N
-rxn:5:191026:227525:227815,CCc1cnc(C(F)F)cc1-c1ccc2c(c1)N(c1ccc(C)c(-c3ccccc3C(C)CC)c1)C=C(C(=O)OC)S2(=O)=O,VEKSWODXRZISQS-UHFFFAOYSA-N
-rxn:5:191026:228401:225833,COC(=O)C1=CN(c2ccc(C)c(-c3ccnc(N4CCCCC4)c3F)c2)c2cc(-c3c(F)ccc(F)c3OC)ccc2S1(=O)=O,KINWYVXLJZSHBQ-UHFFFAOYSA-N
-rxn:5:191049:223144:223378,COc1cc(N2Cc3cc(-c4ccc(N5CCC(O)C5)cc4)ccc3OCC2=O)c(OC)cc1-c1cnc2c(c1)NCCO2,IJNGDRQBOLGSTL-UHFFFAOYSA-N
-rxn:5:191049:225639:225803,COc1cc(N2Cc3cc(-c4cccnc4N4CCC(C)CC4)ccc3OCC2=O)c(OC)cc1-c1ccnc(OC2CCOCC2)c1,PMOCPBZDBMIYRA-UHFFFAOYSA-N
-rxn:5:191049:225978:229147,COCn1ccc(-c2cc(OC)c(N3Cc4cc(-c5ccc(N6CCOCC6)nc5F)ccc4OCC3=O)cc2OC)n1,LUPSLWDZZXHWQM-UHFFFAOYSA-N
-rxn:5:191049:225982:223056,COc1cc(N2Cc3cc(-c4cnc(N5CCOCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1ccc(N2CCC(O)CC2)nc1,ISZRNWDMDKCHCF-UHFFFAOYSA-N
-rxn:5:192234:225611:222987,COc1cc(N2CCCC2)ccc1-c1cc(-c2ccc(C3CCNCC3)nc2C)c(OC)c(S(N)(=O)=O)c1,KEJNAHVJSOCIPB-UHFFFAOYSA-N
-rxn:5:192234:225831:225589,COc1c(-c2ccc(CN3CCSCC3)cc2)cc(-c2cnc(N3CCOCC3)c(C)c2)cc1S(N)(=O)=O,KZQMMXKCQYQJLT-UHFFFAOYSA-N
-rxn:5:192234:225831:225870,COc1c(-c2cc(F)cc(N3CCOCC3)c2)cc(-c2cnc(N3CCOCC3)c(C)c2)cc1S(N)(=O)=O,ZZHLTVVDQOYZBY-UHFFFAOYSA-N
-rxn:5:192234:225834:225607,COc1c(-c2ccc(C(C)N3CCCCC3)s2)cc(-c2cc(N3CCCCC3)ncc2F)cc1S(N)(=O)=O,ZMDBNRMOAAOGNM-UHFFFAOYSA-N
-rxn:5:192236:223002:222985,COc1cc(-c2ccc(C3CCCNC3)nc2C)c(S(N)(=O)=O)cc1-c1ccc(C2CCNCC2)cc1F,RYUWXAHBZGTAAC-UHFFFAOYSA-N
-rxn:5:192236:223062:222985,COc1cc(-c2ccc(C3CCCNC3)nc2C)c(S(N)(=O)=O)cc1-c1cnc(C2CCNCC2)cc1F,KBTLVQOEXNGYPQ-UHFFFAOYSA-N
-rxn:5:192236:223062:225597,COc1cc(-c2ccc(OC3CCCCC3)nc2)c(S(N)(=O)=O)cc1-c1cnc(C2CCNCC2)cc1F,MGCOCIQMVXQAOG-UHFFFAOYSA-N
-rxn:5:192236:223064:222985,COc1cc(-c2ccc(C3CCCNC3)nc2C)c(S(N)(=O)=O)cc1-c1ccc(C2CCNCC2)nc1F,IOGSSYASDBEFET-UHFFFAOYSA-N
-rxn:5:192236:223064:222987,COc1cc(-c2ccc(C3CCNCC3)nc2C)c(S(N)(=O)=O)cc1-c1ccc(C2CCNCC2)nc1F,LOJKGGODYKQUMV-UHFFFAOYSA-N
-rxn:5:192236:223064:225597,COc1cc(-c2ccc(OC3CCCCC3)nc2)c(S(N)(=O)=O)cc1-c1ccc(C2CCNCC2)nc1F,UZACIVPRGVJIHR-UHFFFAOYSA-N
-rxn:5:192236:223064:225613,COc1cc(-c2ccnc(OC3CCCCC3)c2)c(S(N)(=O)=O)cc1-c1ccc(C2CCNCC2)nc1F,HPXIDGBPUGYHJQ-UHFFFAOYSA-N
-rxn:5:192236:225802:225794,COc1cc(-c2cnc(OC3CCCCC3)nc2)c(S(N)(=O)=O)cc1-c1ccc(OC2CCCC2)nc1F,PBOIRRDHAZBNEC-UHFFFAOYSA-N
-rxn:5:192561:225454:223061,CN1CC=C(c2ccc(-c3ccc(-c4cc(C5CCNCC5)ncc4F)cc3C(=O)N3CCC3)cc2)CC1,IWUTUKPBVKPONG-UHFFFAOYSA-N
-rxn:5:193226:223061:223065,O=C(c1ccc(-c2cc(C3CCNCC3)ncc2F)c(-c2ccc(N3CCNCC3)cc2F)c1)N1CCOCC1,HNLHFPMHEYTGPG-UHFFFAOYSA-N
-rxn:5:193226:223062:226364,O=C(c1ccc(-c2cnc(C3CCNCC3)cc2F)c(-c2ccc(N3CCCCC3)nc2)c1)N1CCOCC1,FWYDGNKAAGCQBC-UHFFFAOYSA-N
-rxn:5:193226:227074:225831,CCOc1c(C)cc(C)cc1-c1ccc(C(=O)N2CCOCC2)cc1-c1cnc(N2CCOCC2)c(C)c1,VIBWCFOSIPSGMF-UHFFFAOYSA-N
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-rxn:5:193871:225605:225684,Cc1cnc(OC2CCCC2)c(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccc(C3CCOCC3)nc2C)c1,PUXYZPHAPUVJKU-UHFFFAOYSA-N
-rxn:5:193871:226068:225886,Cc1cc(C(C)(C)C)cc(C)c1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1ccc2c(ccn2S(C)(=O)=O)c1,MDIYKDJNIGFYLM-UHFFFAOYSA-N
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-rxn:5:193968:227413:227103,Fc1cc(C2CCC2)ncc1-c1ccc(-c2sccc2C2CCCCC2)c(CN2CCC3(CC2)OCCO3)c1,HTWCGXILZLGYBL-UHFFFAOYSA-N
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-rxn:5:194398:227413:225577,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2cnc(C3CCC3)cc2F)ccc1C(=O)N1CC2CC2C1,LHHQWRQLTDQILI-UHFFFAOYSA-N
-rxn:5:194509:223054:225849,CC(c1ccc(-c2ccc(CN3C(=O)c4ccccc4C3=O)c(-c3cnc(N4CCCCC4)cc3F)c2)s1)N1CCC(O)C1,RDICQCOJKIPEEO-UHFFFAOYSA-N
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-rxn:4:183253:223748,Fc1cc(-c2cc(N3CCCCC3)cc(N3CCCCC3)c2)cc2c1CC1(CC2)OCCO1,WYASZYNNWXRITQ-UHFFFAOYSA-N
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-rxn:4:183788:222881,CCN(Cc1cccc(Cl)c1-c1ccc(C(=O)NC(C)(C)C)cc1F)C(=O)OC(C)(C)C,UHENGLLQZYSJEW-UHFFFAOYSA-N
-rxn:4:183802:226844,CN(Cc1cc(C(F)(F)F)ccc1-c1ccnc(C(=O)C(F)(F)F)c1)C(=O)OC(C)(C)C,KMQPGTJMKGUXKT-UHFFFAOYSA-N
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-rxn:4:183958:225204,Cc1c(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc(C(F)(F)F)cc1C1CC1,YLVWYJMABAPYTN-UHFFFAOYSA-N
-rxn:4:183960:224617,Cc1cc(OCC2CN(C(=O)OC(C)(C)C)C2)ccc1-c1ccc(OCCN2CCCC2)c(Cl)c1,JQQKABFHOAPXGP-UHFFFAOYSA-N
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-rxn:4:184031:222858,CN(C)CCNC(=O)c1cccc(-c2cc(F)cc(OCC3CCCN(C(=O)OC(C)(C)C)C3)c2)c1,HBZBFWIQEACNRA-UHFFFAOYSA-N
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-rxn:4:184100:224417,Cc1cc(CN(C(=O)OC(C)(C)C)C2CCC(C)(C)CC2)cc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1,VSPWCPYWIUYEMH-UHFFFAOYSA-N
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-rxn:4:185453:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cccc3c2cc(OS(=O)(=O)C(F)(F)F)n3CC(F)(F)F)CC1,KFGSXZONDQAYKU-UHFFFAOYSA-N
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-rxn:4:185530:223893,CCN1CCN(CCOc2cccc(-c3ccc(S(=O)(=O)N4c5ccccc5OCC4CC(=O)OC)cc3)c2)CC1,SPVPYHUVJNYVDC-UHFFFAOYSA-N
-rxn:4:185534:224722,COC(=O)C1CN(C(=O)OC(C)(C)C)Cc2ccc(-c3ccnc(N(C)C(=O)OC(C)(C)C)c3)cc21,BCHLASKRFZLUTQ-UHFFFAOYSA-N
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-rxn:4:185600:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc2oc(C(=O)N(Cc3ccccc3F)C3CCS(=O)(=O)C3)c(C)c2c1,GHWSBHAKGVWNFI-UHFFFAOYSA-N
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-rxn:4:186789:223977,CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(C#N)c(OCC2CCOCC2)c1,ANGMXWBLMKAXRB-UHFFFAOYSA-N
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-rxn:4:186867:223646,CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2)cc1F,LQOBCISOKRDXCR-UHFFFAOYSA-N
-rxn:4:186892:223606,O=C(CS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1)N1CCCC1,QORHSMABVFUNSE-UHFFFAOYSA-N
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-rxn:4:186990:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2ccc(S(=O)(=O)CC(=O)N3CCOCC3)cc2)c1,OQYQPXPHLOXVDA-UHFFFAOYSA-N
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-rxn:4:187149:224615,O=C(Cc1ccc(-c2cccc(OCCN3CCOCC3)c2)c(F)c1)N1CCC(C(F)(F)F)CC1,HOJWJMFIWMFDSL-UHFFFAOYSA-N
-rxn:4:187152:223901,CC1CCN(CCOc2ccc(-c3cc(F)ccc3CC(=O)N3CCC(C(F)(F)F)CC3)cc2Cl)CC1,NJVUOAZSHBQQCL-UHFFFAOYSA-N
-rxn:4:187155:224159,CC(C)(C)OC(=O)n1ccc2c(-c3ccccc3S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)cccc21,KMOJVIAXQCBRFD-UHFFFAOYSA-N
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-rxn:4:187220:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1F,RLCADBISUAUNHL-UHFFFAOYSA-N
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-rxn:4:187327:223166,CC(C)(C)OC(=O)N1[C@@H](c2cccc(-c3ccc(N4CCNCC4)nc3)c2)COS1(=O)=O,BUOADSJVAGBPLA-LJQANCHMSA-N
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-rxn:4:187693:224616,O=C(c1ccc(-c2ccccc2OCCN2CCOCC2)cc1F)c1ccccc1CN1CCC2(CC1)OCCO2,LCIWBEFOMQVGIX-UHFFFAOYSA-N
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-rxn:4:187876:224247,COc1cc2c(cc1-c1ccc(C(=O)N3CCC(C)CC3)cc1F)CC(Cc1ncccc1C(F)(F)F)C2=O,BFGGXNWAIVXVIK-UHFFFAOYSA-N
-rxn:4:187879:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)CCC(=O)N3CC(=O)OC(C)(C)C)c1,GEYLUYKWJULQFF-UHFFFAOYSA-N
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-rxn:4:188885:223559,CON(C)C(=O)c1cccc(F)c1-c1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OC(C)(C)C,OKYWDCPFVXNKJJ-UHFFFAOYSA-N
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-rxn:4:189645:223840,COc1ccc(-c2cccc(CC(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,VMGGBDRKMIFKJF-UHFFFAOYSA-N
-rxn:4:189700:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N(C)C4CCS(=O)(=O)C4)o3)c(F)ccc21,JZTDDEKFGGFTFI-UHFFFAOYSA-N
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-rxn:4:189912:223576,COc1cc(CN2CCC(F)C2)ccc1-c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1,PVTGUJNZMXNLRG-UHFFFAOYSA-N
-rxn:4:189923:223681,COC(=O)c1cnc(C2CCCOC2)cc1-c1cc2cc([N+](=O)[O-])ccc2n1C(=O)OC(C)(C)C,DFGOPAYVOPVKQY-UHFFFAOYSA-N
-rxn:4:189981:223996,CN1CCN(c2ccc(-c3ccc(CC(=O)N4CCCCC4)cc3)c(C(F)(F)F)c2)CC1,BSLGXRWUPNZOCF-UHFFFAOYSA-N
-rxn:4:190027:223541,O=C(Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1)N1CCC(F)(F)CC1,MPDKMYCWMDAYMK-UHFFFAOYSA-N
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-rxn:4:190111:224125,CCS(=O)(=O)N1CCCC1c1ccc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cc1,PXQQAXBCGJTYNH-UHFFFAOYSA-N
-rxn:4:190111:224155,CCS(=O)(=O)N1CCCC1c1ccc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cc1,BDEJITFNASNQOA-UHFFFAOYSA-N
-rxn:4:190120:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cc(S(C)(=O)=O)ccc2CN2CCCC2)CC1,VNLXIZLYRMZZBW-UHFFFAOYSA-N
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-rxn:4:190221:223539,COc1cc(-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)ccc1CN1CCC(F)(F)CC1,FMLKNWDEAIHLLA-UHFFFAOYSA-N
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-rxn:4:190325:222604,COc1ccc(-c2ccc(CN3CCCCC3)c(S(C)(=O)=O)c2)cc1S(=O)(=O)NC1CCCC1,YPRIUXOYYSLFBP-UHFFFAOYSA-N
-rxn:4:190341:222935,CC(c1ccccc1-c1ccc(CNS(=O)(=O)N(C)C)cc1)N1CCC(C(F)(F)F)CC1,GBASEXLVUBODQM-UHFFFAOYSA-N
-rxn:4:190342:224182,Cc1cc(-c2ccccc2C(C)N2CCCC(C(F)(F)F)C2)ccc1OCCN1CCOCC1,YJDDEPUDRQIINY-UHFFFAOYSA-N
-rxn:4:190366:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C4CCCN4CC4CCC4)cc3)cc2)CC1,OGECAZDXPQJQEU-UHFFFAOYSA-N
-rxn:4:190394:222389,CC(C)C(=O)C1CCCN(c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2F)C1=O,FPDCWSCYXOPCAZ-UHFFFAOYSA-N
-rxn:4:190425:224598,COc1cc(N2CCC(C)CC2)ccc1-c1cc(C(C)C)c(S(=O)(=O)N2CCCC2)cc1C,JIPKNDOGCHYFTL-UHFFFAOYSA-N
-rxn:4:190428:224810,CC(C)(C)c1cc(CN2CCC(F)(F)C2)cc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)c1,ZQNOSNOLOBLHON-UHFFFAOYSA-N
-rxn:4:190461:223652,COc1ccc(Cl)c2cc(-c3ccc(Cl)c(C(=O)N4CCSC(c5ccccc5F)CC4)c3)n(C(=O)OC(C)(C)C)c12,WZBAJSRUQXGSQK-UHFFFAOYSA-N
-rxn:4:190477:223584,COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3ccc(OC)cc3C(=O)N3CC4(COC(C)(C)OC4)C3)cc2)cc1,RFPQBBDLZDOEQM-UHFFFAOYSA-N
-rxn:4:190489:223481,CC(C)(C)c1cc(-c2ccccc2)cc(-c2ccc(-c3ccc(S(=O)(=O)N4CCC(O[Si](C)(C)C(C)(C)C)CC4)cc3F)cc2)n1,JKXOMMSFKCAQKR-UHFFFAOYSA-N
-rxn:4:190662:223873,CCOC(=O)C1CCCc2sc(-c3ccccc3CCC(=O)N3CCC(C)CC3)nc21,XADCPOXOSITWQC-UHFFFAOYSA-N
-rxn:4:190829:224649,CC(C)(C)OC(=O)N1C(=O)Cc2cc(-c3cc(F)ccc3OCC3CCCCO3)ccc21,ONNBZPSVDZWARH-UHFFFAOYSA-N
-rxn:4:190833:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(Cl)c2c1C(=O)N(C(=O)OC(C)(C)C)C2,VUQRXCDILXEFPS-UHFFFAOYSA-N
-rxn:4:190834:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2cc(F)c3c(c2)CN(C(=O)OC(C)(C)C)C3=O)c1,GPCHBUOHTBAXPZ-UHFFFAOYSA-N
-rxn:4:190926:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3=O)c1,GGEFGXSVTGGNCL-UHFFFAOYSA-N
-rxn:4:190927:225387,CC(C)(C)OC(=O)N1CCc2cc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3F)ccc2C1=O,WGQPVUBLTRDHFY-UHFFFAOYSA-N
-rxn:4:190946:222633,COC(=O)C1=CN(c2ccc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cc2)c2ccc(F)cc2S1(=O)=O,OMJLBDAEQRJDSN-UHFFFAOYSA-N
-rxn:4:190957:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1,FZZAUYABJOBAOU-UHFFFAOYSA-N
-rxn:4:190961:222941,CONS(=O)(=O)c1c(C)cc(-c2cc3c(cc2F)N(C(=O)OC(C)(C)C)CCC3)cc1C,IAJBMFPFLTYVFV-UHFFFAOYSA-N
-rxn:4:190972:223054,CC(c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)s1)N1CCC(O)C1,WLMQKDVTDWXGEL-UHFFFAOYSA-N
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-rxn:4:190982:224285,C#CC1OC(=O)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(-c3ccc(OCCN4CCOCC4)cc3F)cc21,LARXPZNVVCGLKW-UHFFFAOYSA-N
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-rxn:4:191007:224582,CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(-c3cccc(N4CCN(C5CC5)CC4)c3)ccc12,NSUBCRPFUKYQPZ-UHFFFAOYSA-N
-rxn:4:191031:224488,CC(C)N(C(=O)c1ccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cc1)C(C)C,YUIDKCGGUOFYMN-UHFFFAOYSA-N
-rxn:4:191035:222468,Cc1ccc2c(c1-c1ccc3cc(NC(=O)OC(C)(C)C)ccc3c1)CCN(C(=O)OC(C)(C)C)C2,MISLRALPIFSFPY-UHFFFAOYSA-N
-rxn:4:191053:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2cc(C3SCCN3C(=O)c3cc(=O)c4ccccc4o3)ccc2F)CC1,QMUGAXXYRYTDMK-UHFFFAOYSA-N
-rxn:4:191057:223888,CC(C)(C)OC(=O)N1Cc2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)ccc2C2(CC2)C1,BIKNZSJXSKVCPU-UHFFFAOYSA-N
-rxn:4:191062:226590,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(OC2CCOC2)nc1,DJJUBHKMXSNGGK-UHFFFAOYSA-N
-rxn:4:191087:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)cc1,FBEYPPLQVAXIHW-UHFFFAOYSA-N
-rxn:4:191087:224731,CC(C)(C)COS(=O)(=O)c1cccc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3(C)C)c1,IZVKMSZGQCTWPX-UHFFFAOYSA-N
-rxn:4:191088:222838,CC(C)(C)OC(=O)N1CCC(C)(C)c2cc(-c3ccc(CNC(=O)C(C)(C)C)cc3)ccc21,DFJAWNREEGAWFT-UHFFFAOYSA-N
-rxn:4:191091:222945,CC(C)NS(=O)(=O)c1ccc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3(C)C)cc1F,VWIPGDNPPPSGJT-UHFFFAOYSA-N
-rxn:4:191091:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4(C)C)c(F)ccc21,TXVMOCXYHDRJAF-UHFFFAOYSA-N
-rxn:4:191092:224271,CC(C)(C)OC(=O)N1Cc2cc(-c3cc4cccnc4n3C(=O)OC(C)(C)C)ccc2CC1(C)C,NRAYCIUOGGZTEH-UHFFFAOYSA-N
-rxn:4:191093:225381,Cc1cc(CC(=O)N2CC3CCCCC3C2)ccc1-c1ccc(C(F)(F)F)c(C(F)(F)F)c1,DXQUSULKJGOSOZ-UHFFFAOYSA-N
-rxn:4:191103:226093,CC(C)CCSc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,KJOOQULAENKHRA-UHFFFAOYSA-N
-rxn:4:191103:227014,CC(C)CSc1cccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,VCUMRUAAGIFBEE-UHFFFAOYSA-N
-rxn:4:191108:223951,COc1ccc(-c2ccc(OCCN3CCN(C)CC3)c(F)c2)c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1,MOSVOGPIIYAXHN-UHFFFAOYSA-N
-rxn:4:191116:224107,COc1ccc(COc2ccc(-c3ccc4c(c3)C(=O)CC43CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,JJAFHMQRLHVFQI-UHFFFAOYSA-N
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-rxn:4:202269:224713,CCCCOc1ccc(-c2ccccc2CN2CCCC(C(=O)N3CCSCC3)C2)c(C(F)(F)F)c1,KATYURNWSXARNU-UHFFFAOYSA-N
-rxn:4:202270:222510,Cc1ccc(NC(=O)c2cc(F)cc(-c3cccc(CN4CCCC(C(=O)N5CCOCC5)C4)c3)c2)c(Cl)c1,QNJREZYFWBQNDE-UHFFFAOYSA-N
-rxn:4:202313:223561,CC(C)(C)OC(=O)N(c1ccccc1)c1ccc(-c2ccccc2CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cc1,CSUPGYLHLFNBGR-UHFFFAOYSA-N
-rxn:4:202338:223093,CC(C)S(=O)(=O)Nc1cncc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccccc3)cc2)c1,UOFCDSMBBNOOON-UHFFFAOYSA-N
-rxn:4:202351:226557,CCOc1c(OC)ccc(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(F)c(C)c3)cc2)c1F,POCHNOJBYWWKKP-UHFFFAOYSA-N
-rxn:4:202452:223884,C#CCn1c(=NC(=O)C(C)C)sc2cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)ccc21,UNKQPPDMIIGACO-UHFFFAOYSA-N
-rxn:4:202488:223788,C#CCn1c(=NC(=O)c2cccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)cc3)c2)sc2cc(F)cc(F)c21,ULAMSBBYSLVZMR-UHFFFAOYSA-N
-rxn:4:202518:223549,CC(C)c1cccc(C(C)C)c1OCc1ccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)cc1,KPUMDJXYWYTGAG-NDEPHWFRSA-N
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-rxn:4:202537:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4oc(=O)c(-c5csc(C(C#N)=Cc6ccc(F)cc6)n5)cc4c3)cc2F)CC1,PQLQOERDUDJNDM-UHFFFAOYSA-N
-rxn:4:202577:223996,C#CCn1c(=NC(=O)C2COc3ccccc3O2)sc2cc(-c3ccc(N4CCN(C)CC4)cc3C(F)(F)F)ccc21,QAGCOJPMXMJIMQ-UHFFFAOYSA-N
-rxn:4:202592:224904,CC(C)(C)[Si](C)(C)OCc1nn2c(c1-c1ccc(C(=O)C3CCCCC3)cc1)CCC2,IIBOCUPZAHPAIP-UHFFFAOYSA-N
-rxn:4:202599:224999,CCC1SC2=NC(C)=C(C(=O)OC)C(c3cccc(-c4ccc(C(C)N5CCOCC5)cc4)c3)N2C1=O,PLDCPVAEUZJDDR-UHFFFAOYSA-N
-rxn:4:202606:226538,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccccc1-c1ccc(Cl)cc1C(=O)OCC,AHAPFMXJUBXEIW-UHFFFAOYSA-N
-rxn:4:202607:222975,CCOC(=O)c1cnc2c(-c3ccc(C(=O)NC4CC4)cc3C)cccc2c1N1CCC(F)(F)CC1,FWACQVBPCBPLQG-UHFFFAOYSA-N
-rxn:4:202658:222836,CC(C)(C)CC(=O)Nc1ccc(-c2ccc3cncc(C4CCN(C(=O)OC(C)(C)C)C4)c3c2)cc1,MLEDNYLVWXFDJD-UHFFFAOYSA-N
-rxn:4:202662:226589,CC1=C(C(=O)OC(C)C)C(c2cccc(-c3cc(C(F)F)ncc3C(C)C)c2)N2C(=O)C(C)SC2=N1,VCUGGVMCLYJGPL-UHFFFAOYSA-N
-rxn:4:202678:224721,Cc1nn(CC(=O)OC(C)(C)C)c(C)c1-c1cc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)cn1,VTXFAWCAUIPXEW-UHFFFAOYSA-N
-rxn:4:202681:224174,CCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cc1,FDWWYYFLZBOGML-UHFFFAOYSA-N
-rxn:4:202681:225114,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3csc(CO[Si](C)(C)C(C)(C)C)c3)cnc21,LCMNWYYOMAMQDQ-UHFFFAOYSA-N
-rxn:4:202683:224672,CCN1CCN(c2ccc(-c3ccc(CC(=O)N4CC(N5CC6CCCC6C5)C4)cc3)c(Cl)c2)CC1,ZVSJIHCOXLYUEB-UHFFFAOYSA-N
-rxn:4:202692:225239,COc1ccc(-c2ccc(-c3ccccc3F)nc2F)c(C(=O)N2CC(N3C(=O)C4CC=CCC4C3=O)C2)c1,JJSNWPNPNUTWLP-UHFFFAOYSA-N
-rxn:4:202707:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc(CN3C(=O)N(c4cccc(SC)c4)C4CS(=O)(=O)CC43)c(F)c2)c1,BPQSFJJBRQFTCP-UHFFFAOYSA-N
-rxn:4:202710:224970,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(S[Si](C)(C)C(C)(C)C)cc3)c3ccccc23)CC1,OGHYRKYRQMDFSU-UHFFFAOYSA-N
-rxn:4:202753:224647,COc1cccc(CN2C(=O)C3(SCC(=O)N3c3ccc(-c4cc(O[Si](C)(C)C(C)(C)C)ccc4F)cc3)c3ccccc32)c1,CRADICFWMPETGD-UHFFFAOYSA-N
-rxn:4:202755:223280,CC(C)(C)OC(=O)N1CCC(N2Cc3cc(-c4cnc(C5CCNC5)nc4)ccc3OCC2=O)CC1,ZUVJWXQYPHZQMA-UHFFFAOYSA-N
-rxn:4:202768:223574,CC1CCc2c(sc3ncnc(SCC(=O)c4ccc(-c5cccc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)c23)C1,UAIURAHOTUDOKS-UHFFFAOYSA-N
-rxn:4:203132:223579,COC(=O)C(C)n1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3C)cc2)c(C)n1,BZNDMWOWATYNNL-UHFFFAOYSA-N
-rxn:4:203689:224619,N#Cc1cc(-c2ccc(OCCN3CCCC3)c(F)c2)c(N2CCCCC2)cc1C(F)(F)F,HGELYNNUPRHECS-UHFFFAOYSA-N
-rxn:4:203728:223503,COC(=O)C1CCN(c2ccc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cn2)CC1,SFHKIZVZOVONJW-UHFFFAOYSA-N
-rxn:4:203887:224597,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CC4)cc(N4CCOCC4)c3)cc2)CC1,ZKWNSTYAHANQJI-UHFFFAOYSA-N
-rxn:4:203895:224426,CCS(=O)(=O)N1CCN(c2ccccc2-c2cc(C3CCCCC3)cc(C3CC3)c2)CC1,HWVIOFFBOPNCFZ-UHFFFAOYSA-N
-rxn:4:203897:224597,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C4CC4)cc(N4CCOCC4)c3)c2)CC1,GSDQYPHLGRHDMW-UHFFFAOYSA-N
-rxn:4:203905:222779,CCN1CCN(c2cc(-c3ccncc3CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)CC1,SOHNTDNHFAMYCX-UHFFFAOYSA-N
-rxn:4:203942:222859,COc1cc(OC)c(-c2ccc(C(=O)NCCN(C)C)cc2)cc1C=C1C(=O)N(C)C(=S)N1C,ODOQNMRYXZNWOO-UHFFFAOYSA-N
-rxn:4:203957:224502,CC(C)C(=O)N1CCN(c2cccc(-c3cccc(OCC4CCCCN4C)c3)c2)CC1,WIDYFTCCDRJQLB-UHFFFAOYSA-N
-rxn:4:204006:222741,CN(C)C1CCN(Cc2cc(F)cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c2)CC1,LETCKPLMKAKZMM-UHFFFAOYSA-N
-rxn:4:204012:224867,CN(C)C1CCN(S(=O)(=O)c2cccc(-c3ccc(OCC4CCCCC4)cc3)c2)CC1,CCNHJPICNWPSQB-UHFFFAOYSA-N
-rxn:4:204026:224976,CN1CCN(Cc2ccc(S(C)(=O)=O)cc2-c2cccc(N3CCCCC3)c2C#N)CC1,WJMJLCTWIQCDRH-UHFFFAOYSA-N
-rxn:4:204027:222725,CCNS(=O)(=O)c1ccc(-c2ccccc2CN2CCN(S(C)(=O)=O)C[C@@H]2C)c(C(F)(F)F)c1,LJNPMRJICZERHV-INIZCTEOSA-N
-rxn:4:204028:224842,C[C@H]1CN(S(C)(=O)=O)CCN1Cc1cccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1,FHINMHGYHBJZCU-FQEVSTJZSA-N
-rxn:4:204032:225199,CN1CCN(C(=O)C2(c3ccc(-c4cc(F)c(OC5CCCC5)c(F)c4)cc3)CC2)CC1,AHGRSGBGFFKBSD-UHFFFAOYSA-N
-rxn:4:204055:222919,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCCN(C4CCSC4)CC3)o2)cc1,ZSFUGCLPQWMZOS-UHFFFAOYSA-N
-rxn:4:204097:222639,CC(C)N1CCN(C(C)c2ccccc2-c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)CC1,JNDABSBHRRIJKT-HMTLIYDFSA-N
-rxn:4:204135:223069,CCCS(=O)(=O)Nc1cccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)c1,NFLAHNSKNQAETA-UHFFFAOYSA-N
-rxn:4:204135:227476,CCOC(=O)c1ccc(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)cn1,YLNHPNLOCIKGKY-UHFFFAOYSA-N
-rxn:4:204135:227585,CCOc1c(-c2ccccc2S(=O)(=O)N2CCCN(C3CCSC3)CC2)ccc(Cl)c1F,FHTKMSMQHUMYMN-UHFFFAOYSA-N
-rxn:4:204147:224363,CCN(CC)S(=O)(=O)c1cc(OC)cc(-c2ccc(CN3CCCCC3C)c(N3CCCC3)c2)c1,RRIHRQLHIDHHTL-UHFFFAOYSA-N
-rxn:4:204155:222743,Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1-c1ccc(C(C)N2CCC(O)CC2)cc1,CMYSXAKQDDMOAS-UHFFFAOYSA-N
-rxn:4:204164:225281,CC(C)(C)OC(=O)c1cc(-c2ccc(C3=NC4(CCCCC4)N(C(=O)c4ccc(Cl)cc4)C3=S)cc2)cc(Cl)n1,WJUMWEOOUUBQEG-UHFFFAOYSA-N
-rxn:4:204176:225408,O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(-c3cc4c5c(c3)CCCN5CCC4)cc2)=NC12CCCCCC2,HQFFDGDRUBGPRB-UHFFFAOYSA-N
-rxn:4:204350:223531,COCn1ncc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c1C12COCC1O2,WIDRBOCPORDSOW-UHFFFAOYSA-N
-rxn:4:204603:222639,C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2cncc3c2CCN(C(=O)OC(C)(C)C)C3)cc1,XUBOJXVRQGERCH-KRWDZBQOSA-N
-rxn:4:204653:225550,CCCCC(=O)c1ccc(-c2ccc3c(c2)C(=C2SC(=S)N(CCOC)C2=O)C(=O)N3C)cc1F,NZMPIBMBXBODSV-UHFFFAOYSA-N
-rxn:4:204681:222922,CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(n1)N(C(=O)OC(C)(C)C)CC2(C)C,JZGOQIQNNREYHX-UHFFFAOYSA-N
-rxn:4:204693:225047,Cc1cc(-c2cccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)c2)cnc1N1CCC(C)CC1,DVAKAGUXQBUQOW-UHFFFAOYSA-N
-rxn:4:204694:225718,COC(COc1cccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)cc2)c1)OC,WMKUVFBDOYEPHH-UHFFFAOYSA-N
-rxn:4:204705:222829,CNS(=O)(=O)c1ccc(-c2ccc(N3C(=NC(=O)C4CC4)SC4CS(=O)(=O)CC43)c(Cl)c2)c(C(F)(F)F)c1,OJUMVVKKTMUHRL-UHFFFAOYSA-N
-rxn:4:204746:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccccc1CN1CC2C(=O)N(c3ccccc3)C(=O)C2C1,XBIVAVSRKOHADX-UHFFFAOYSA-N
-rxn:4:204780:225717,COCCOCc1ccc(F)cc1-c1ccc(S(=O)(=O)N2CC(N3CC4CCCC4C3)C2)cc1,XEQCBJQESGWXRK-UHFFFAOYSA-N
-rxn:4:204796:224483,O=C(C1=CN(c2ccc(-c3ccc(OCCN4CCCCC4)cc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1,OYFAOBAERLQKKP-UHFFFAOYSA-N
-rxn:4:204800:222632,CC(C)N1CCN(Cc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c3ccccc23)CC1,YXJWQXWZGYEPNM-UHFFFAOYSA-N
-rxn:4:204858:224120,Cc1cc(-c2ccc(CN3C(=O)N(c4cccc(C)c4C)S(=O)(=O)c4ccccc43)c(F)c2)ccc1CO[Si](C)(C)C(C)(C)C,CXGPHXJPLDWPBF-UHFFFAOYSA-N
-rxn:4:204869:222577,Cc1ccc(NC(=O)c2ccc(-c3ccc(N4C=C(C(=O)N5CCCCC5)S(=O)(=O)c5ccc(Cl)cc54)cc3C)cc2)cc1Cl,GPDBYDSKRCFYPZ-UHFFFAOYSA-N
-rxn:4:204869:224367,Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1-c1ccc(OC(F)(F)F)c(OCC(C)C)c1,AQEJXZMIADYTJW-UHFFFAOYSA-N
-rxn:4:204913:224488,CC(C)N(C(=O)c1ccc(-c2ccc3c(c2)c2c(n3C)CCN(C(=O)OC(C)(C)C)C2)cc1)C(C)C,NXKGENQLZGLLIY-UHFFFAOYSA-N
-rxn:4:205176:223480,COc1nc(-c2cc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)ccc1[N+](=O)[O-],LRMBBCZZJKZNIU-UHFFFAOYSA-N
-rxn:4:206021:223520,Cc1cn(CC(C)C)nc1-c1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1,NLSUNURAZVEFGA-UHFFFAOYSA-N
-rxn:4:206439:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cnc(F)c(C(=O)N3CCOCC3)c2)CC1,ABHLOIZPGBRFIE-UHFFFAOYSA-N
-rxn:4:206445:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cc(Cl)cnc2C(=O)N2CCOCC2)CC1,NOQYBDUVSDKZGA-UHFFFAOYSA-N
-rxn:4:206603:223589,Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1-c1cnc(C(=O)N2CCCC2)c(C)c1,YTJDEGHVNJUWMM-UHFFFAOYSA-N
-rxn:4:206652:222797,Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cnc(C(=O)N3CCCC(F)(F)C3)c(Cl)c2)c1,GKPQVVRXRBYDAN-UHFFFAOYSA-N
-rxn:4:206683:223786,CN1CCN(CCCOc2ccc(-c3cnc(F)c(CN4CCCCC4)c3)cc2Cl)CC1,FUDRBLCDGMAERW-UHFFFAOYSA-N
-rxn:4:206694:223753,Cc1ccc(-c2cccc(C3CCCN3S(C)(=O)=O)n2)cc1OCCCN1CCN(C)CC1,DORDQPFWPSCXDY-UHFFFAOYSA-N
-rxn:4:206706:223588,Cc1cc(-c2cncc(C(=O)N3CCOC(C)C3)c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,AWQFEZPQFMNGQL-UHFFFAOYSA-N
-rxn:4:206872:222615,CC(C)Cc1cc(-c2c(Cl)cc(F)cc2C(=O)N2CCN(C)CC2)cc(C2CCNCC2)c1,MDUQVOCZYSFJRU-UHFFFAOYSA-N
-rxn:4:206887:223649,Cc1cc(C)n(S(=O)(=O)c2cc(Cl)c(C)cc2-c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1,RJOLZZYREMLUKO-UHFFFAOYSA-N
-rxn:4:206939:222709,Cc1cc(N2CCCCC2)c(-c2cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c2)cc1[N+](=O)[O-],ROIIQNWPJWZCJO-UHFFFAOYSA-N
-rxn:4:206960:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)cc2)CC1,GVJPBTKIHCHCLJ-UHFFFAOYSA-N
-rxn:4:206962:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C2CCCN(S(C)(=O)=O)C2)nc1,IWSOSNRMQFXDGD-UHFFFAOYSA-N
-rxn:4:206978:224743,CC1CCN(c2ncc(C(F)(F)F)cc2-c2c(F)cc(C(=O)OC(C)(C)C)cc2F)CC1,BTHFNJRTKQKREG-UHFFFAOYSA-N
-rxn:4:206992:224493,CC(C)(C)[Si](C)(C)OCc1ccc(-c2cncc(C(=O)N3CCC4(CC3)CC4(F)F)c2)cc1,ZFYJQBJNJWQUDR-UHFFFAOYSA-N
-rxn:4:207026:223790,CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cncc(C(=O)N3CCC4(CC3)OCCO4)c2)c1,CECFYSQSCHKYBI-UHFFFAOYSA-N
-rxn:4:207048:223728,CCCCCC1CCC(c2ccc(-c3cncc(CC4CCCN(C)CC4)c3)c(F)c2)CC1,DAOWPEWECKYVMB-UHFFFAOYSA-N
-rxn:4:207058:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,WXMYDBQFYFFOMU-UHFFFAOYSA-N
-rxn:4:207061:224597,CN1CCCN(S(=O)(=O)c2cccc(-c3cc(C4CC4)cc(N4CCOCC4)c3)c2)CC1,RRBIRJFRXILFDN-UHFFFAOYSA-N
-rxn:4:207062:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C,QZWMCSLDIVPQPN-UHFFFAOYSA-N
-rxn:4:207522:223497,CC(c1ccc(-c2cc3ccn(S(=O)(=O)c4ccccc4)c3c(Cl)n2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,VTBUYQOCMCWIKT-UHFFFAOYSA-N
-rxn:4:207779:224646,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2)ccc1OC1CCOCC1,JNYHIZKJOCBVEQ-UHFFFAOYSA-N
-rxn:4:207795:225903,CON(C)C(=O)c1cc(-c2cncc(C(=O)N3C4CCC3CC(=C3CC3)C4)c2)ccc1F,SKNOQQHOPMDBIY-UHFFFAOYSA-N
-rxn:4:207838:222657,CC(C)(C)c1nn(C2CCCCO2)c2cc(-c3ccc(F)c(C(=O)NC4CCCCC4)c3)ccc12,RGMPITDYAYYGGL-UHFFFAOYSA-N
-rxn:4:207852:223897,Cc1ccc(-c2ccc(N3C(=O)N(c4ccccc4C)C4CS(=O)(=O)CC43)cc2)cc1OCCCN1CCOCC1,HMNYVYGUXBDCJC-UHFFFAOYSA-N
-rxn:4:207951:223602,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c2Cl)cc1)N(c1nc(C)c(C)s1)C3=O,PBYXPLZCHGICIH-UHFFFAOYSA-N
-rxn:4:207959:223147,Cc1ccc(C2=NN3C(C2)c2cc(-c4ccc(C5CNCCO5)cc4)ccc2OC3C2CCCCC2)cc1,JHBZGFVZULAMHH-UHFFFAOYSA-N
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-rxn:4:212908:222723,CCOC(=O)N1CCCC(Oc2ncc(-c3cccc(NS(=O)(=O)N4CCOCC4)c3)cn2)C1,NDOBRIYCUICGRH-UHFFFAOYSA-N
-rxn:4:212973:224881,O=C(CN1CCOC1=O)N1CCC(Oc2ncccc2-c2cccc(CN3CCCCCC3)c2)C1,ALTNMEBTCIZKGZ-UHFFFAOYSA-N
-rxn:4:212980:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCC(COc2ccc(F)cn2)C1,BWDVYJWXHJCIKA-UHFFFAOYSA-N
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-rxn:4:213053:228181,COCc1cc(F)ccc1-c1cnc(OCC2CCCN(C(=O)C3CC(F)(F)C3)C2)nc1,LHYWEQDOAXAZQT-UHFFFAOYSA-N
-rxn:4:213074:223693,CC(C)(C)OC(=O)N1CCC(Cn2ccnc2-c2cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c2F)CC1,PZBTWCGPCOGYHO-UHFFFAOYSA-N
-rxn:4:213080:223167,CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(-c3ccnc(N4CCNCC4)c3)c2)CC1,OJFDLNLSGNQQBJ-UHFFFAOYSA-N
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-rxn:4:213113:222910,CCCNS(=O)(=O)c1ccc(-c2cnc(OC3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4)C3)nc2)c(C)c1,HOUDCXBTPNGUBB-UHFFFAOYSA-N
-rxn:4:213125:224819,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)CC1,POJABUDBNYPLLD-UHFFFAOYSA-N
-rxn:4:213125:225975,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(N4CCOCC4)c3Cl)n2)CC1,HUOWCFVXUBGYBD-UHFFFAOYSA-N
-rxn:4:213131:224265,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3cc(C4CCCCC4)cc(C(F)(F)F)c3)cn2)CC1,FATFPNJUZFCQJM-UHFFFAOYSA-N
-rxn:4:213134:223945,CCC(C)(C)C(=O)N1CCC(Oc2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)CC1,BBJZWJBSLMHOCW-UHFFFAOYSA-N
-rxn:4:213141:228091,CCN(CC)c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])s1,YXMOBODRLRIHKQ-UHFFFAOYSA-N
-rxn:4:213144:222447,COc1ccc2c(c1-c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1)N=C(NC(=O)OC(C)(C)C)C2,SCZXMPFCSZJALP-UHFFFAOYSA-N
-rxn:4:213148:224351,COc1cccc(CN2CCC(Oc3ncc(-c4ccc(C5CCCCO5)c(C(F)(F)F)c4)cn3)CC2)c1,LOIYRQOTHLSDRL-UHFFFAOYSA-N
-rxn:4:213171:222890,COc1cc(-c2cccnc2OC2CCN(C(=O)Cc3c(C)noc3C)CC2)cc(C2CCCNC2)n1,VBEOVFZPCJXQHN-UHFFFAOYSA-N
-rxn:4:213178:222634,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCC5)c(F)c4)cn3)C2)c(C)o1,NXGQDXCYQYSXLZ-UHFFFAOYSA-N
-rxn:4:213178:225313,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(N5CCN(C)CC5)nc4F)cn3)C2)c(C)o1,PBSSWFZHKBOKQT-UHFFFAOYSA-N
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-rxn:4:213239:222946,O=C(c1cncc(-c2cnc(N3CCCCC3O)nc2Cl)c1)N1CCN(C(=O)C2CC2c2ccc(F)cc2)CC1,POAGVGWPEKJYST-UHFFFAOYSA-N
-rxn:4:213268:225826,C[C@H]1C[C@@H](c2nc(-c3ccc(-c4cncc(N5CCN(C)CC5)c4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1,YOYJFIVVVYUBTQ-FNZWTVRRSA-N
-rxn:4:213281:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cccnc3OC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)cc2)CC1,OYCLTVMZGNOLFK-UHFFFAOYSA-N
-rxn:4:213291:226182,CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)Cc3ccc(-c4cccnc4C4CCCCC4)cc3)CC2)n1,IYVNEUIQXYOKHE-UHFFFAOYSA-N
-rxn:4:213292:223223,CCNC(=O)c1cccc(-c2ccc(N3C(=O)CC(N4CCN(CC=Cc5ccccc5)CC4)C3=O)cc2)c1,LTABRWGWYFSVNS-UHFFFAOYSA-N
-rxn:4:213337:223687,CCCCC(=O)N1CCN(c2nc3ccc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc3s2)CC1,ZPEPKIRSNJNNJK-UHFFFAOYSA-N
-rxn:4:213338:223075,CN(C)C(=O)CSC1=NC2CS(=O)(=O)CC2N1c1ccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)cc1F,DEBLQDFTRGPFSF-UHFFFAOYSA-N
-rxn:4:213381:224194,CCN1CCN(Cc2ccc(-c3ccc(C(=O)Oc4ccc5nc(N6CCN(CC)CC6)sc5c4)cc3)cc2Cl)CC1,BKYCNJNSACVDLF-UHFFFAOYSA-N
-rxn:4:213438:224904,COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1-c1ccc(C(=O)C2CCCCC2)cc1,KLEPOJKXICEHSG-UHFFFAOYSA-N
-rxn:4:213440:226275,Cc1cc(-c2ccc3ccn(CC(=O)N4CCN(C(=O)C5COc6ccccc6O5)CC4)c3c2)cnc1OCC(C)C,GCZSOMLGHLFHCY-UHFFFAOYSA-N
-rxn:4:213474:224248,CC1CCN(C(=O)c2ccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)cc2Cl)CC1,MWXLAUISMPMJOZ-UMSFTDKQSA-N
-rxn:4:213480:223010,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C5(O)CCOCC5)cc4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,FFZMDISZXAWRMO-PCBPTNJRSA-N
-rxn:4:213480:223050,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)cc(C(=O)NC(C)C)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QYRUBGYFYRMKGK-IVMILYEGSA-N
-rxn:4:213481:223060,COC12CC(COC(=O)c3cncc(-c4cc(Cl)nc(C5CCNCC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,LKWMGBFSEXEBRP-UHFFFAOYSA-N
-rxn:4:213508:223500,CCOC(=O)c1nc(-c2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)o2)n[nH]1,XYSUOYDBLZSEEZ-UHFFFAOYSA-N
-rxn:4:213581:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cnc(OCCN4CCOCC4)nc3)cn2)CC1,BUQJRWSVRAAWBX-UHFFFAOYSA-N
-rxn:4:213665:224325,CCOC(=O)N1CCN(c2ncccc2-c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)CC1,PSSLDQZLJGGFEW-UHFFFAOYSA-N
-rxn:4:213755:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1,VFQFGXJZBFQQIB-UHFFFAOYSA-N
-rxn:4:213768:222901,CCCS(=O)(=O)NCc1ccc(-c2cnc(OCC3CCCN(C4COC4)C3)nc2)cc1,ZDFCEAOWMAZKGC-UHFFFAOYSA-N
-rxn:4:213798:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CN(C(=O)OC(C)(C)C)CCO4)cn3)cc2F)CC1,GZXBYNFGXAJLQT-UHFFFAOYSA-N
-rxn:4:213799:224718,CC(C)(C)OC(=O)N1CCOC(c2cc(-c3ccc(OCCN4CCOCC4)nc3)ncn2)C1,DNYZPHMFNPXRIO-UHFFFAOYSA-N
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-rxn:4:213880:225875,CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccc(N3CCOCC3)cc2Cl)CC1,PZQDFWCKFRLZMK-UHFFFAOYSA-N
-rxn:4:213932:222436,O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCCC4)C3)c(C(F)(F)F)c2)c1,IMALGJFIGLRCSC-UHFFFAOYSA-N
-rxn:4:213955:225228,CN1CCN(c2ccc(-c3cnc(OC4CCN(C(=O)C5CC=CCC5)CC4)nc3)c(F)c2)CC1,PIKBOPSBMFRCNR-UHFFFAOYSA-N
-rxn:4:213972:224672,CCN1CCN(c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(C(F)(F)F)c3)c(Cl)c2)CC1,MOHYFGFYISSFOM-UHFFFAOYSA-N
-rxn:4:213976:225523,CCOC(=O)CCc1cccc(-c2cccc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)n2)c1,NLRHZUNXJYYHAQ-UHFFFAOYSA-N
-rxn:4:213983:222890,COc1cc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)cn2)cc(C2CCCNC2)n1,DZDHOIUCNXSREK-UHFFFAOYSA-N
-rxn:4:213983:225367,CC1CN(C(=O)OC(C)(C)C)CCC1c1cnc(-c2cnc(N3CCC(F)(F)CC3)nc2)cn1,TXNXKUPAKOCESB-UHFFFAOYSA-N
-rxn:4:213989:222607,CS(=O)(=O)N1CCC(Nc2ccc(-c3cnc(OCC4CCCN(C5CCOCC5)C4)nc3)cc2)CC1,GLIAPWRHNNZMSV-UHFFFAOYSA-N
-rxn:4:214046:222888,C[C@@H]1CN(c2ccc(-c3ccc(CN4CCNCC4)c(Cl)c3)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C,BPMSDLCKBWUPES-VQTJNVASSA-N
-rxn:4:214050:222935,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1c1ncc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)cc1F,FXMQAIUKJALUKN-MSOLQXFVSA-N
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-rxn:4:214082:223813,CC(C)N1CCN(Cc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)cc2N2CCOCC2)CC1,NPOGFTSJHPXWED-UHFFFAOYSA-N
-rxn:4:214220:224764,CC(C)(C)OC(=O)N1CCCC1c1nc2cc(-c3ccc(C(=O)N4CCOCC4)cc3F)ccc2[nH]1,RDNHOJNBKDFMFD-UHFFFAOYSA-N
-rxn:4:214253:222859,CCN1C(=O)C(=Cc2c(Oc3ccc(-c4ccc(C(=O)NCCN(C)C)cc4)cc3)nc3ccccn3c2=O)SC1=S,OJSDLBLNJNPEOQ-UHFFFAOYSA-N
-rxn:4:214255:224486,CC(C)N(C(=O)c1cccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncnc(Cl)c23)c1)C(C)C,JUHDZNYBWYJNKG-UHFFFAOYSA-N
-rxn:4:214274:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2cccc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)cc1,KJSIOLNPOROQJD-UHFFFAOYSA-N
-rxn:4:214336:223636,CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccc(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cc2)CC1,CTRGMJQZNJLIJG-UHFFFAOYSA-N
-rxn:4:214339:223992,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5ccc(C)c(S(=O)(=O)N6CCN(C)CC6)c5)ccc43)C2=O)cc1,YSCSVKKELQVMFC-UHFFFAOYSA-N
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-rxn:4:214357:223926,CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1,HEFNXXOOISAHRN-UHFFFAOYSA-N
-rxn:4:214492:223650,CN(C)C=Nc1ccc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N,LZWMALLQTPCNEJ-UHFFFAOYSA-N
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-rxn:4:214670:223972,CC(=O)N1CCCC(Cc2cnc(-c3ccc(N4CCCCC4C)cc3C(F)(F)F)cn2)C1,DPNTUJAHXLMAHO-UHFFFAOYSA-N
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-rxn:4:214716:224308,CCN1CCN(c2cc(-c3cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c3)c(F)cc2[N+](=O)[O-])CC1,FUDVCJWKTYUJFC-UHFFFAOYSA-N
-rxn:4:214745:224193,CCN1CCN(Cc2cc(-c3ccc(C#N)c(N4CCC(N(C)C)CC4)c3)ccc2F)CC1,BEOZTAJHEQUODC-UHFFFAOYSA-N
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-rxn:4:214782:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCC(C#N)(c4ccccc4)CC3)nc2)CC1,SAHWHLMTEVJALW-UHFFFAOYSA-N
-rxn:4:214802:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCCC4)C3)cc2F)CC1,SCNMKJYBMRBDIZ-UHFFFAOYSA-N
-rxn:4:214803:223885,CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(N4CCOC(C(=O)N5CCCC5)C4)nc3)cc2C1,VHJNPZWWWKZIFL-UHFFFAOYSA-N
-rxn:4:214819:225269,COC(=O)c1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCC3)C2)c(C(=O)OC)c1,YDKBRGGDLUMBKF-UHFFFAOYSA-N
-rxn:4:214829:222865,CCCCNC(=O)c1ccc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1Cl,BMBYPVDWUWOYHX-UHFFFAOYSA-N
-rxn:4:214829:225093,CCCOc1c(Cl)cc(-c2cccnc2N2CCOC(C(=O)N3CCSCC3)C2)cc1OCC,ZIIKJOIWKBDUCR-UHFFFAOYSA-N
-rxn:4:214830:224303,CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(N3CCOC(C(=O)N4CCSCC4)C3)nc2)c(F)c1F,KWBXVHQBYOVFNL-UHFFFAOYSA-N
-rxn:4:214835:226088,CCN(CC)Cc1ccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCOCC3)C2)cc1,GIGBYGKAKDNKLV-UHFFFAOYSA-N
-rxn:4:214838:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(F)c2)cc1F,KPVWTMMWFJACDH-UHFFFAOYSA-N
-rxn:4:214839:222596,O=C(Nc1ccc(F)c(Cl)c1)c1cccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,CVRGLCGNJHUBSH-UHFFFAOYSA-N
-rxn:4:214852:224246,CC1CCN(C(=O)c2ccc(-c3cncc(C(=O)N4CCC(N5CCCC5)CC4)c3)cc2F)CC1,ILCSMFYTACBYGV-UHFFFAOYSA-N
-rxn:4:214858:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccccc1S(=O)(=O)N1CCCC(c2ccn(C)n2)C1,ZYYYBBZMZGWJIA-UHFFFAOYSA-N
-rxn:4:214866:226471,CN(C)CCOc1ccc(-c2ccc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)cn1,RPDGUUSVOZYZTR-UHFFFAOYSA-N
-rxn:4:214867:222813,Cc1cc(-c2cnc(NC(=O)OC(C)(C)C)c(Cl)c2)cnc1N1CCOC(C(=O)N2CCCC2)C1,XQOAYXMGWWMYHB-UHFFFAOYSA-N
-rxn:4:214871:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(Cl)c2)c1,GDHMLUUZDHNXHL-UHFFFAOYSA-N
-rxn:4:214874:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCCCC5)C4)c(F)c3)c(F)c2)CC1,FQXUNKXKICSEEN-SOHZNPICSA-N
-rxn:4:214879:222681,CCN1CCN(C2CC(=O)N(c3ccc(-c4cccc(CNC(=O)OC(C)(C)C)c4F)cc3)C2=O)CC1,LBRYRTOPZNNGRF-UHFFFAOYSA-N
-rxn:4:214880:226554,CCCOc1cc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)c(C)c2)cc1F,BBPGOAYZFBFYIU-UHFFFAOYSA-N
-rxn:4:215055:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc4c(c3)c(C)nn4C(=O)OC(C)(C)C)cc21,GFTNUDCGFHTQDC-UHFFFAOYSA-N
-rxn:4:215065:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)c1,QZCSUHXMQPSBHL-UHFFFAOYSA-N
-rxn:4:215097:222809,CC1CN(C(=O)OC(C)(C)C)Cc2cnc(-c3cc(Cl)ncc3NC(=O)OC(C)(C)C)n21,QMEWIFYCDYCMDT-UHFFFAOYSA-N
-rxn:4:215114:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CC(c5nc6cc(C)ccc6[nH]5)C4)o3)c(F)cc2C)CC1,JYGFFZFGEMQSGK-UHFFFAOYSA-N
-rxn:4:215240:223155,CCNC(=O)c1cc(Cl)cc(-c2ccc(C3=NN(c4ccccc4)C4C(=O)N(c5ccc6c(c5)OCCO6)C(=O)C34)cc2)c1,RJGWRSSBFWHAHH-UHFFFAOYSA-N
-rxn:4:215301:225159,O=C(c1cccc(-c2ccc3c(c2)C2CC(c4ccccc4)=NN2C2(CCN(Cc4ccccc4)CC2)O3)c1)N1CCOCC1,LKNQEGHCETYRCV-UHFFFAOYSA-N
-rxn:4:215708:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(C(=O)N4CCOCC4)nc3)cc2F)CC1,QETUECHUOBSNSG-UHFFFAOYSA-N
-rxn:4:215801:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cncc(N3CCCC(C(F)(F)F)C3)n2)c(C(F)(F)F)c1,HWGCHKLDNKCQLX-UHFFFAOYSA-N
-rxn:4:215879:223649,CN(C)C1CCN(c2ccc(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)C1,VEAMSQZLJKEZHL-UHFFFAOYSA-N
-rxn:4:215897:223761,Cc1nn(S(=O)(=O)N2CCOCC2)c(C)c1-c1ccc(C2CCCN2C(=O)OC(C)(C)C)cc1,FILXRPQNLSCNNC-UHFFFAOYSA-N
-rxn:4:215900:224300,COc1cc(C(=O)N2CCSCC2)ccc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1,ZEUFQEBEYBJLHG-UHFFFAOYSA-N
-rxn:4:215911:223699,CN1CCN(c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)c(F)cc2[N+](=O)[O-])CC1,BPFJQKIAJANJGV-UHFFFAOYSA-N
-rxn:4:215914:224589,Cc1nc(N2CCC(C(F)(F)F)CC2)ncc1-c1ccc(F)cc1CN1CCC(C)CC1,JBDTWCJBJRZRMM-UHFFFAOYSA-N
-rxn:4:215943:223993,Cc1cc(-c2ccnc(N3CCC(N(C)C)CC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,GSDUQFABMRCWHA-UHFFFAOYSA-N
-rxn:4:215967:223991,CC(C)(C)c1cc(N2CCOCC2)nc(-c2c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c2F)n1,QWOZKWKCRSVFQT-UHFFFAOYSA-N
-rxn:4:215971:223525,CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cccc(N4CCN(c5ccccc5)CC4)n3)c2)CC1,PTYIQGQZHRZTHD-UHFFFAOYSA-N
-rxn:4:216269:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(N5CCOCC5)nc(-c5ccccc5)c4c3)ccc2OC(F)(F)F)CC1,WBIZCOIXMMVUIQ-UHFFFAOYSA-N
-rxn:4:216356:227743,COc1ccc(C2=NN3C(C2)c2cc(-c4cc(C(F)(F)F)ccc4Cl)ccc2OC32CCN(C)CC2)cc1,DUUMURFXZSEEHE-UHFFFAOYSA-N
-rxn:4:217362:223480,Cc1cc(-c2c([N+](=O)[O-])ccc3n[nH]c(Cl)c23)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,QFUSBDICQBQNJJ-UHFFFAOYSA-N
-rxn:4:217853:223482,O=S(=O)(c1cc(-c2nn(C3CCCCO3)c3cnc(Cl)cc23)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2,JNPPNQCMEDAFMJ-UHFFFAOYSA-N
-rxn:4:217889:224425,CCCC1CCC(c2ccccc2-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)CC1,VVXXGNPWAWGXNR-UHFFFAOYSA-N
-rxn:4:217907:226473,CN(C)CCOc1ncccc1-c1ccc2c(c1)C1CC(c3ccc(Cl)cc3)=NN1C1(CCN(C)CC1)O2,PPJXZTBVZJVMCD-UHFFFAOYSA-N
-rxn:4:217907:226474,CN(C)CCOc1cncc(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCN(C)CC2)O3)c1,CRPHRADMMPRCQF-UHFFFAOYSA-N
-rxn:4:218585:225898,N#Cc1ccc(CN2CCC(COc3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)CC2)c(F)c1,KIIGBIJJSSAADX-UHFFFAOYSA-N
-rxn:4:218589:223889,CC(C)(C)OC(=O)N1CCc2cccc(-c3cnc(OCC4CCCN(S(=O)(=O)c5ccc(C#N)cc5)C4)nc3)c2C1,SMAHYNYSJXYOGJ-UHFFFAOYSA-N
-rxn:4:218617:225175,COc1ccc(-c2ccc(F)c(CN3CCOCC3)c2)c(C(=O)N2CCN(CCn3cccn3)CC2)c1,ZETDJWQUEMSDKA-UHFFFAOYSA-N
-rxn:4:218666:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cncc(C(=O)N4CCC(COc5ccc(C(C)(C)C)nn5)C4)c3)c2)CC1,KDZFYHRZMGLQCT-UHFFFAOYSA-N
-rxn:4:218681:224621,CC(=O)N1CCC(C(=O)N2CCC(COc3ncc(-c4ccc(OCCN5CCSCC5)cc4)cn3)CC2)CC1,MKOCLVGBMUABHH-UHFFFAOYSA-N
-rxn:4:218682:225558,CC(=O)N1CCC(C(=O)N2CCCC(COc3ncc(-c4ccccc4OCC4CCOC4)cn3)C2)CC1,LZWXVMAPBHUFIA-UHFFFAOYSA-N
-rxn:4:218684:226966,CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(-c4ccc5c(c4)C(=O)CCC5)c3)ccc2C#N)CC1,HNSVIPUEOPCZEA-UHFFFAOYSA-N
-rxn:4:218694:225330,COC(=O)c1cc(-c2ccc(-c3nccs3)c(C(=O)N3C[C@H](Oc4nccc(C#N)c4C)CC[C@H]3C)c2)cc(C(=O)OC)n1,KRPKUGJMEOHBCE-WZONZLPQSA-N
-rxn:4:218700:223032,CCCNC(=O)c1ccc(-c2ccc(C3=NN(C(=O)CN4CCN(CC)C(=O)C4=O)C(c4ccc(F)cc4)C3)cc2)c(F)c1,QTKNJWPNWOYHSR-UHFFFAOYSA-N
-rxn:4:218700:223652,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cc5c(Cl)ccc(OC)c5n4C(=O)OC(C)(C)C)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,HVMLJEROMHZRGE-UHFFFAOYSA-N
-rxn:4:218703:224653,COc1ccc(-c2cc(N3CCCN(C(=O)Cc4ccccc4-c4ccc(Cl)cc4OCC4CCCCO4)CC3)[nH]n2)cc1,CZZGDVWIXUFQAJ-UHFFFAOYSA-N
-rxn:4:218710:227458,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cnc5c(c4)OCCN5C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,YCYAQERNAKBYOC-UHFFFAOYSA-N
-rxn:4:218710:227730,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cn(-c5nccs5)nc4C)cc3)CC2c2ccc(C)cc2)C(=O)C1=O,RCNSXVMJCNOGOV-UHFFFAOYSA-N
-rxn:4:218775:228616,CSc1ccc(-c2ccc3c(ccn3CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2)c(C)c1,XSIQKUFTTCLWMI-UHFFFAOYSA-N
-rxn:4:218786:225505,CCCCn1ncc2cc(-c3cccc4c5c([nH]c34)CCN(C(=O)CCC(=O)N3CCN(S(C)(=O)=O)CC3)C5)ccc21,GZLTWMKYIBIROR-UHFFFAOYSA-N
-rxn:4:218786:227182,CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(-c5ccnc6cc(Cl)ccc56)cccc4c3C2)CC1,YGDUWSOSCHRYMB-UHFFFAOYSA-N
-rxn:4:218802:223712,COc1ccc(-c2cccc(-c3nnn(CC(=O)OC(C)(C)C)n3)c2)cc1C12CC3CC(CC(C3)C1)C2,RXABJPDENWENGH-UHFFFAOYSA-N
-rxn:4:218867:226181,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccc(C4=CCCCC4)nc3)c2)no1,WJKWEJHAPIZQAJ-UHFFFAOYSA-N
-rxn:4:218868:225803,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccnc(OC4CCOCC4)c3)cc2)no1,BEIPIOLOMBPXEP-UHFFFAOYSA-N
-rxn:4:218868:226056,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3c4c(cc5c3CCC5)CCC4)cc2)no1,MUUIGKSULAXRHO-UHFFFAOYSA-N
-rxn:4:218868:226181,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3ccc(C4=CCCCC4)nc3)cc2)no1,BAEUJMXFQZVKCO-UHFFFAOYSA-N
-rxn:4:218886:222826,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3cccc(S(=O)(=O)N4CCNCC4)c3)cn2)C1,IDFKGCPHZNOCIL-UHFFFAOYSA-N
-rxn:4:218886:224819,Cc1ncsc1C(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)C1,VOCHIFCOFRAMSQ-UHFFFAOYSA-N
-rxn:4:218914:223533,Cc1nc(CN2CCC(COc3ncc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cn3)CC2)cs1,ROLBPOPYOHTMJE-UHFFFAOYSA-N
-rxn:4:218968:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4CCCC(Cc5nc(C6CC6)no5)C4)c3)cc2)CC1,RUSXRFNIOAMZNT-UHFFFAOYSA-N
-rxn:4:218972:223945,Cc1nc(C)c(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCCN5CCOCC5)c(F)c4)cn3)C2)s1,RSDRUUOBBPQNKX-UHFFFAOYSA-N
-rxn:4:218992:222432,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(S(=O)(=O)NC5CCCCC5)c5ccccc45)cn3)C2)CC1,FSOQPRQHDNEEDD-UHFFFAOYSA-N
-rxn:4:218997:224759,Cc1noc(C)c1CN1CCCC(COc2ncc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)cn2)C1,IQSSIKXIYJUSMC-UHFFFAOYSA-N
-rxn:4:219011:225600,CN(c1cnc(-c2cccnc2OC2CCCCC2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1,FEYHSGJTYULVTQ-UHFFFAOYSA-N
-rxn:4:219052:222582,Cc1cnc(N(C)C2CCCN(C(=O)Cc3ccccc3-c3cccc(C(=O)NCCN4CCOCC4)c3)C2)nc1,APRNMPPQTQQGFC-UHFFFAOYSA-N
-rxn:4:219093:223601,CCC(=O)C1=C(c2ccc(-c3cnc(OCc4ccc(OC)cc4)c(C(F)(F)F)c3)cc2)N(C(=O)CC)n2cnnc2S1,IMKLGCBLSDEOON-UHFFFAOYSA-N
-rxn:4:219120:223895,CCN1CCN(CCOc2ccc(-c3cncc(C(=O)N4CC5CCCC5(COc5ncc(F)cn5)C4)c3)cc2)CC1,PIRSGRJHZBGXBE-UHFFFAOYSA-N
-rxn:4:219120:224803,CC(C)Oc1ccc(OC(F)(F)F)c(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)c1,DVWUIHAKUDMEMP-UHFFFAOYSA-N
-rxn:4:219135:226101,CCN(CC)c1ccc(-c2cc(CN3N=NC4C(=O)N(c5ccc(OC)cc5)C(=O)C43)ccc2OC)c(C)c1,YDACCFINOPZXHZ-UHFFFAOYSA-N
-rxn:4:219135:226506,COc1ccc(N2C(=O)C3N=NN(Cc4ccc(OC)c(-c5cc(OCC6CC6)ncc5F)c4)C3C2=O)cc1,NICTYBBOFZZVAB-UHFFFAOYSA-N
-rxn:4:219271:226583,O=[N+]([O-])c1cc(-c2ccc(CN3CCOCC3)s2)cnc1N1CCN(CC(F)(F)F)CC1,RMHHMZYQVULKDU-UHFFFAOYSA-N
-rxn:4:219334:222634,CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccc(OCCNC4CCCC4)c(F)c3)s2)CC1,XZDXPWDDKHSSJM-UHFFFAOYSA-N
-rxn:4:219353:223107,COc1ncc(-c2cnc(OC3CCN(S(=O)(=O)N(C)C)CC3)nc2)cc1NS(C)(=O)=O,DXJRSARDBDWQOZ-UHFFFAOYSA-N
-rxn:4:219370:224986,CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3ccc(N4CCCCC4)cc3C#N)n2)C1,NMFXELKXRKSASQ-UHFFFAOYSA-N
-rxn:4:219375:222582,CC(C)(C)OC(=O)N1CCCC(n2cc(-c3cccc(C(=O)NCCN4CCOCC4)c3)nn2)C1,DNZALPUGHXSGJX-UHFFFAOYSA-N
-rxn:4:219384:223595,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(COc5ccncc5Cl)CC4)nc3)cc2F)CC1,VLCDTDGUWSQZAC-UHFFFAOYSA-N
-rxn:4:219405:224759,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cc(F)cc(C(=O)N4CCOCC4)c3)n2)CC1,RTHIJFLHKVEQEA-UHFFFAOYSA-N
-rxn:4:219431:222695,Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)C2)cc1S(=O)(=O)NC1CCCC1,XSIQAUXMXZSUNO-UHFFFAOYSA-N
-rxn:4:219431:224594,CC(=O)N1CCCCC1c1ccccc1-c1ccccc1S(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1,QXOHIWUQMKAQIT-UHFFFAOYSA-N
-rxn:4:219433:224327,CC1CCCN(S(=O)(=O)c2cccc(-c3ccc(C(=O)N4CCN(c5ccc(C6CC6)nn5)CC4)o3)c2)C1,SZXBXRVJZLPRJN-UHFFFAOYSA-N
-rxn:4:219436:222584,N#Cc1cc(-c2ccc(OCCCN3CCNCC3)c(F)c2)cnc1N1CCOC(C(=O)N2CCOCC2)C1,AKHAGBCRHNMNNN-UHFFFAOYSA-N
-rxn:4:219452:223107,COc1ncc(-c2nc(C)nn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1NS(C)(=O)=O,SAUMVCAIMHSESF-UHFFFAOYSA-N
-rxn:4:219473:222634,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(OCCNC2CCCC2)c(F)c1,RMTCHEHOBPXPRQ-UHFFFAOYSA-N
-rxn:4:219501:222937,CSc1ncc(-c2ccc(C(=O)NCC(F)(F)F)cc2)c(N2CCOC(C(=O)N3CCOCC3)C2)n1,HGTZVCXQHIVLDY-UHFFFAOYSA-N
-rxn:4:219501:227249,CCCOc1ccc(Cl)c(-c2cnc(SC)nc2N2CCOC(C(=O)N3CCOCC3)C2)c1,IXVWWDPUOREITA-UHFFFAOYSA-N
-rxn:4:219507:223502,Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3ccccc3-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)CC2)c1=O,ZZNLYMVXCNWRPQ-UHFFFAOYSA-N
-rxn:4:219517:224373,COc1ccc(-c2cnc(OCC3CCCN(C4CCN(C)C4=O)C3)nc2)cc1S(=O)(=O)N1CCCC1,VHSBBCMVQNCVEV-UHFFFAOYSA-N
-rxn:4:219530:222864,CC(C)NCCOc1ccc(-c2cnc(OC3CCN(C4CCN(C5CC5)C4=O)CC3)nc2)cc1F,DOEZXLPLUSOYHR-UHFFFAOYSA-N
-rxn:4:219532:224108,COc1ccc(COc2ccccc2-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)nc2OC)cc1,XIXJJBOORRTSOO-UHFFFAOYSA-N
-rxn:4:219533:226303,CCCC(=O)c1ccc(Cl)c(-c2cnc(SC)nc2N2CCCC(C(=O)N3CCOCC3)C2)c1,IBAGUFQCNNJDDM-UHFFFAOYSA-N
-rxn:4:219534:225305,O=C(c1cncc(-c2cnc(C3CCC3)c(C(F)(F)F)c2)c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1,JVTYTUCUCKQDEL-UHFFFAOYSA-N
-rxn:4:219538:223253,CCCCNc1ncc(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)c(C#N)c2)cn1,OHBXCQUYMLHEPR-UHFFFAOYSA-N
-rxn:4:219552:225351,COC(=O)c1c(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2OC)cccc1C(F)(F)F,UBIJNABOURVGMZ-UHFFFAOYSA-N
-rxn:4:219627:227787,CC(C)(C)OC(=O)N1C2CCC1CN(c1nnc(-c3cc(Cl)c(F)c([N+](=O)[O-])c3)s1)C2,POKVAPMDCPAMGE-UHFFFAOYSA-N
-rxn:4:219653:223061,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4cc(C5CCNCC5)ncc4F)nc3s2)CC1,GHSFGHFQNOIVKT-UHFFFAOYSA-N
-rxn:4:219653:224586,CC1CCN(Cc2ccc(F)cc2-c2ccc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)CC1,ZOUCURPJZLUJCY-UHFFFAOYSA-N
-rxn:4:219653:225976,CC(C)(C)OC(=O)N1CCN(c2nc3ccc(-c4ccnc(N5CCOCC5)c4F)nc3s2)CC1,RFKYSMRMPKLICW-UHFFFAOYSA-N
-rxn:4:219654:223835,Cc1cc(F)c(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)cc1S(=O)(=O)N1CCC(C)CC1,BZBGWXPJKHZHFX-UHFFFAOYSA-N
-rxn:4:219654:224667,CN1CCN(Cc2cc(-c3cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4s3)ccc2Cl)CC1,XMSGEZPINUHSTE-UHFFFAOYSA-N
-rxn:4:219654:224763,CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(-c4cc(Cl)ccc4C(=O)N4CCOCC4)cc23)CC1,MCEZYAWNGSEQRQ-UHFFFAOYSA-N
-rxn:4:219661:222651,CC(=O)C(C)n1c(-c2cc(C(=O)NC3CCCCC3)ccc2F)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C,QVWPZVFRGUNBAX-UHFFFAOYSA-N
-rxn:4:219678:222538,N#Cc1ccc(N2CC3CN(S(=O)(=O)c4ccccc4-c4cc(C5CCCC5)nc(C5CCNCC5)c4)CC3C2)nc1,AOYVLLRYPZJZET-UHFFFAOYSA-N
-rxn:4:219689:223813,CC(C)(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccc(CN5CCC6(CC5)OCCO6)c(F)c4)n3c2)CC1,DFULULAYORXSAY-UHFFFAOYSA-N
-rxn:4:219707:225312,CN1CCCN(c2ncc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)CC5)ncnc4c3F)cn2)CC1,WJPVVWNXKQLETK-UHFFFAOYSA-N
-rxn:4:219745:224680,COc1ccc(-c2cc(C(=O)N3CCCCC3)ccc2F)c(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c1,DPYQVASUTZZVDZ-UHFFFAOYSA-N
-rxn:4:219750:223181,CCNS(=O)(=O)c1cccc(-c2ccc(OC)cc2C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,NAWIPDMQUCSXAP-UHFFFAOYSA-N
-rxn:4:219750:223824,COc1ccc(-c2cc(C(F)(F)F)cnc2OCc2ccccc2)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1,MYSJTLANWREWIV-UHFFFAOYSA-N
-rxn:4:219840:223928,CC(C)(C)OC(=O)N1CCc2ncc(-c3cnc(N4CCN(CCF)CC4)nc3)cc2C1,RUCJDBWPQUHJIZ-UHFFFAOYSA-N
-rxn:4:219867:223671,CCN1CCN(c2ncc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2[N+](=O)[O-])CC1,JWTIXWQXWCUSDR-UHFFFAOYSA-N
-rxn:4:219874:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccccc1S(=O)(=O)N1CCC(n2ccnn2)C1,IMVXELHESMJGNI-UHFFFAOYSA-N
-rxn:4:219959:222895,CCCCS(=O)(=O)Nc1ccc(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)cc1,OSYPCBUIWUYGEB-UHFFFAOYSA-N
-rxn:4:219959:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)nc3)c(F)c2)CC1,MWOWQCWZIPMMFA-YOQWSDCESA-N
-rxn:4:219988:226283,CC(C)COc1ccc(F)c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)nc2)c1,YLOHJMFFIXRFLN-UHFFFAOYSA-N
-rxn:4:219998:223051,O=C(NC1CC1)c1ccc(Cl)c(-c2cnc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc2)c1,SOLPNLPRESTNLA-UHFFFAOYSA-N
-rxn:4:220149:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)CC1,GRNNEJFYJUBNGF-UHFFFAOYSA-N
-rxn:4:220158:224394,Cc1ccc(-c2ccccc2S(=O)(=O)N2CC3CN(c4cnccn4)CC3C2)cc1S(=O)(=O)N1CCOCC1,MLTDVCDMZHFCIK-UHFFFAOYSA-N
-rxn:4:220166:223532,Cn1cc(C2CN(C(=O)c3cncc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)c3)Cc3ccccc32)cn1,NVIFBMVGPBUDME-UHFFFAOYSA-N
-rxn:4:220207:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cncc(C(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)c1,DXABPPUVUGYCMC-UHFFFAOYSA-N
-rxn:4:220225:226508,O=C(C1CCCN(c2ncnc3ccc(-c4ccc(OCC5CC5)nc4F)cc23)C1)N1CCOCC1,BGMAGAVDPRXWKW-UHFFFAOYSA-N
-rxn:4:220267:224421,Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)cc4)c4ccccc4N23)c1C,DHKGTVMVURHFBP-UHFFFAOYSA-N
-rxn:4:220395:222522,COc1ccc(-c2cnc(C(=O)N3CCN(C)CC3)nc2)cc1S(=O)(=O)N1CCC(O)CC1,KZPONAULYJNLCG-UHFFFAOYSA-N
-rxn:4:220398:224325,CN1CCN(c2ncc(-c3ccc(C4=CCN(S(C)(=O)=O)CC4)cc3)cc2[N+](=O)[O-])CC1,PODCVJGYSUBDLC-UHFFFAOYSA-N
-rxn:4:220429:222948,OC1CCN(c2ncc(-c3cnc(N4CCCN(C5CCOC5)CC4)nc3)c(Cl)n2)CC1,ODNDQSVJZBZNNM-UHFFFAOYSA-N
-rxn:4:220461:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2nc3n(n2)CCN(C(=O)C(C)C)C3)c1,QBVZPMOAHXYELH-UHFFFAOYSA-N
-rxn:4:220558:224308,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc3c(s2)-n2c(nnc2C2CCCCC2)CN=C3c2ccccc2Cl)cc(F)c1F,QPJWQGPXBVCNRE-UHFFFAOYSA-N
-rxn:4:221100:223973,COc1nn(C)cc1C(=O)N1CCC(COc2ncc(-c3ccc(N4CCCC(C)C4)cc3C(F)(F)F)cn2)CC1,KGOSPEVYRBXMEA-UHFFFAOYSA-N
-rxn:4:221111:224581,Cc1ccn(-c2ccc(C3CC3)c(-c3cccc(N4CC(C(=O)N5CCN(CCn6ccnc6)CC5)CC4=O)c3)c2)n1,SKKPSROIQQPKEL-UHFFFAOYSA-N
-rxn:4:221120:223699,O=C(c1cncc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)c1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1,FWBGJLHLVQYUIW-UHFFFAOYSA-N
-rxn:4:221121:224038,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc6c(c5)C(C)(C)c5cc(Cl)ccc5-6)ccc43)CC2)CC1,WRKFLLNCAMOOJJ-UHFFFAOYSA-N
-rxn:4:221152:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)c5snnc5C)C4)nc3)c(F)c2)CC1,LVFWVGNDIADYKT-GLQXSRQHSA-N
-rxn:4:221155:223840,COc1ccc(-c2cnc(OCC3CCCN(c4cnccc4C#N)C3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,WDNWJJHHMHFUKY-UHFFFAOYSA-N
-rxn:4:221156:223687,CCn1cc(S(=O)(=O)N2CC(Cn3cc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cn3)C2)nc1C,DJUWRJVWCGJGPL-UHFFFAOYSA-N
-rxn:4:221163:223728,CCCCCC1CCC(c2ccc(-c3ccc(OC)cc3C(=O)N3CC(c4nc(-c5ncccn5)no4)C3)c(F)c2)CC1,MBRZTDISXPVXQT-UHFFFAOYSA-N
-rxn:4:221176:222725,CCNS(=O)(=O)c1ccc(-c2cnc(OCC3CCCN(c4cc(C(F)(F)F)nc(C)n4)C3)nc2)c(C(F)(F)F)c1,CKFRHDJZBOIAIY-UHFFFAOYSA-N
-rxn:4:221178:222628,c1nc(N2CCC(COc3ccc(C4CC4)nn3)CC2)ncc1-c1cc(C2CCC2)nc(C2CCCNC2)c1,KXAZGYPPYHSSQO-UHFFFAOYSA-N
-rxn:4:221184:224569,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4cc(F)cc(OCC5CCCCC5)c4)cn3)C2)n1,YSSRUFPFDFZTEF-UHFFFAOYSA-N
-rxn:4:221184:225177,Cc1cc(C)c(C#N)c(N2CCCC(COc3ncc(-c4ccc(CN5CCSCC5)c(F)c4)cn3)C2)n1,JPFOHWNRQRKJFL-UHFFFAOYSA-N
-rxn:4:221185:224569,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4cc(F)cc(OCC5CCCCC5)c4)cn3)CC2)n1,XFKCIQXAWNFFDD-UHFFFAOYSA-N
-rxn:4:221185:224653,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4ccc(Cl)cc4OCC4CCCCO4)cn3)CC2)n1,SJQJNXIQQQRWIN-UHFFFAOYSA-N
-rxn:4:221185:225179,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4cccc(Cl)c4CN4CCOCC4)cn3)CC2)n1,QNSQWOHANARFTL-UHFFFAOYSA-N
-rxn:4:221185:225188,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4ccc(Cl)c(CN5CCOCC5)c4)cn3)CC2)n1,UCVRLNSOVMIXDH-UHFFFAOYSA-N
-rxn:4:221194:223278,CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4cnn(C5CCNCC5)c4)cn3)CC2)cn1C,XTOXKWWDQQWMFJ-UHFFFAOYSA-N
-rxn:4:221194:224163,Cc1c(-c2cnc(OC3CCN(S(=O)(=O)c4cn(C)c(C(C)C)n4)CC3)nc2)ccc2c1cnn2C1CCCCO1,LCERVAHYPOAKRI-UHFFFAOYSA-N
-rxn:4:221207:223579,Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5C)cc4)cc3)CC2)n1,AIFVNFMSZXGIDX-UHFFFAOYSA-N
-rxn:4:221209:223775,COc1ccc2c(c1)c(-c1ccc(CCN3CCN(c4cc(N5CCOCC5)nc(C)n4)CC3)cc1)cn2C(=O)OC(C)(C)C,UWTPTLHYYUSXFH-UHFFFAOYSA-N
-rxn:4:221214:222679,CCN(CC)C(=O)Cn1c(-c2cc(NC(=O)OC(C)(C)C)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C,CDGZLWRJNYQORR-UHFFFAOYSA-N
-rxn:4:221232:223973,CC1CCCN(c2ccc(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c(C(F)(F)F)c2)C1,BOXULXLGRKLENF-UHFFFAOYSA-N
-rxn:4:221240:223670,Cn1nc2c(c1CN1CCCC(COc3ncc(-c4cccnc4N4CCN(C(=O)OC(C)(C)C)CC4)cn3)C1)CCC2,OKDMYLMYIIOHHJ-UHFFFAOYSA-N
-rxn:4:221250:226514,CCc1cnc(C(=O)OC)cc1-c1ccc(C2=NN(C(=O)CN3CCCCC3)C(c3nc4ccccc4[nH]3)C2)cc1,GLMAGTRIPWGPKD-UHFFFAOYSA-N
-rxn:4:221275:224762,CC1CN(c2ccc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,VRHRGTBJSDRGDF-UHFFFAOYSA-N
-rxn:4:221395:223490,Cc1ccc(-c2cnc(N3CCC(Cn4cnc(C5CC5)cc4=O)CC3)nc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LKEVVBMGGLABME-UHFFFAOYSA-N
-rxn:4:221396:223598,O=C(c1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)ccc1-n1cnnn1)N1CCC(c2ccccc2)CC1,BAOQKZFQPYFKKO-UHFFFAOYSA-N
-rxn:4:221416:223102,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)o1,NMCVHMWSTNAVCB-UHFFFAOYSA-N
-rxn:4:221419:223784,CCN1CCN(CCOc2ccc(-c3cnc(N4CCC(Cn5nc(C(C)(C)C)ccc5=O)CC4)nc3)cc2F)CC1,SNIXUPJUBPTWRU-UHFFFAOYSA-N
-rxn:4:221420:222967,CC(C)CNC(=O)c1cccc(-c2ccccc2C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,OGAWXYZVZUNLKR-UHFFFAOYSA-N
-rxn:4:221429:222741,c1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)CC2)n1,ZXFWPQXVNCBNGB-UHFFFAOYSA-N
-rxn:4:221456:228103,Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(CC(C)C)nc4)cc3)CC2)n1,GRHQRELKKAEQLG-UHFFFAOYSA-N
-rxn:4:221498:224396,Cc1cc(-c2c[nH]c3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)ccc1S(=O)(=O)N1CCOCC1,OAMZWKHVNAAIRI-UHFFFAOYSA-N
-rxn:4:221594:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cnc(N4CC(Cn5ncccc5=O)C4)nc3)cc21,TWACYDKAHBZIEG-UHFFFAOYSA-N
-rxn:4:221649:223507,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2cnn(CC3CN(c4ncnc5sccc45)C3)c2)CC1,WFGWDZYMNCZROS-UHFFFAOYSA-N
-rxn:4:221692:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(c5ncnc6c5CCCC6)C4)c3)c3ccccc23)CC1,SCXASEKDVDRZFK-UHFFFAOYSA-N
-rxn:4:221692:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cnn(CC4CN(c5ncnc6c5CCCC6)C4)c3)cc2)CC1,LNTNKMQODUUOTA-UHFFFAOYSA-N
-rxn:4:221727:222584,O=C(c1cncc(-c2ccc(OCCCN3CCNCC3)c(F)c2)c1)N1CCN(c2cc3c(nn2)CCCC3)CC1,DXOAAWWZXSOZLE-UHFFFAOYSA-N
-rxn:4:221728:223532,Cn1nc(C2CCN(c3nc4ccc(-c5cc(F)cc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4s3)CC2)n(C2CC2)c1=O,UUVFWQMYWLDUKW-UHFFFAOYSA-N
-rxn:4:221925:224962,CCOc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccccc5-c5ccccc5COC5CCOCC5)no4)C3C2=O)cc1,BIVFUQPHQKWHNL-UHFFFAOYSA-N
-rxn:4:221929:222804,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(NC6CCS(=O)(=O)CC6)cc5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,AAKRLOSVAJADGP-UHFFFAOYSA-N
-rxn:4:221950:223888,CC(C)(C)OC(=O)N1CCCc2ccc(-c3cnc(OC4CCN(C(=O)c5cnn(-c6ccccc6)n5)CC4)nc3)cc21,PKYVELWYRBEIKH-UHFFFAOYSA-N
-rxn:4:221977:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(c5nccn6nc(C7CC7)cc56)C4)nc3)c(F)c2)CC1,VHXSLYVQYADUHV-ANRZFKABSA-N
-rxn:4:221998:223638,Cn1ncnc1CN1CC(Cn2cc(-c3cccc(C4CCCN(C(=O)OC(C)(C)C)C4)c3)cn2)C1,HVTPLUHLJZUFOD-UHFFFAOYSA-N
-rxn:4:222054:227467,COCCOc1cnccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)o1,YYTFPKRDFUOWHP-UHFFFAOYSA-N
-rxn:4:222060:224171,Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(OCCCN6CCCC6)c(F)c5)cc4)CC3)nn2)c(C)c1C,ZDQJXIDQYUSEEK-UHFFFAOYSA-N
-rxn:4:222102:225228,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(N7CCN(C)CC7)cc6F)cc5)no4)C3C2=O)cc1,XFRRZIJGPWAKOF-UHFFFAOYSA-N
-rxn:4:222108:222892,COc1cc(N2CCNCC2)ccc1-c1ccc(-c2noc(CN3N=NC4C(=O)N(c5ccc(C)c(F)c5)C(=O)C43)n2)cc1,XBJQLDZHLMDKBJ-UHFFFAOYSA-N
-rxn:4:222120:225982,Cc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6cnc(N7CCOCC7)cc6F)cc5)no4)C3C2=O)cc1C,NOQQLWFQNMEITP-UHFFFAOYSA-N
-rxn:4:222175:223592,Cn1c(N2CC(Cn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cn3)C2)nc2cccnc21,YHJPFSWAADHSKZ-UHFFFAOYSA-N
-rxn:4:222184:222584,Cn1nc2cc(-c3ccc(OCCCN4CCNCC4)c(F)c3)ccc2c1C(=O)N1CCC(n2ccnn2)CC1,RKCWIQWROPSYDY-UHFFFAOYSA-N
-rxn:4:222229:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)c3ccccc23)CC1,XKWUVQLEQRBYOA-UHFFFAOYSA-N
-rxn:4:222229:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(c4ncnc5c4CCCC5)CC3)nc2)CC1,TUXIMWMECOZYSV-UHFFFAOYSA-N
-rxn:4:222229:224127,CCN1CCN(C(C)c2ccc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)cc2)CC1,DGNSBUUDQPEBEY-UHFFFAOYSA-N
-rxn:4:222229:224377,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCN(c5ncnc6c5CCCC6)CC4)nc3)cc2)CC1,KNTVRPFBTMJDOC-UHFFFAOYSA-N
-rxn:4:222229:224379,CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N3CCN(c4ncnc5c4CCCC5)CC3)nc2)CC1,XXVIOQDQYMBRBM-UHFFFAOYSA-N
-rxn:4:222235:224198,CCN1CCN(Cc2ccc(-c3ccc(Cn4c(=O)c5c(nc6n5C(C)C(C)=NN6C)n(C)c4=O)cc3)c(F)c2)CC1,XPBAUIWZCFMCGB-UHFFFAOYSA-N
-rxn:4:222331:224607,C[Si](C)(C)CCOC(=O)c1ccc(-c2cnc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nc2)cc1,HOOQDVDNXHIODY-UHFFFAOYSA-N
-rxn:4:222331:224917,Cc1cc(N2CCC(C)CC2)ccc1-c1cnc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)nc1,CYZIPOOCRBFYPA-UHFFFAOYSA-N
-rxn:4:222348:224657,Cc1nnc2ccc(N3CC4CN(C(=O)c5cncc(-c6cccc(O[Si](C)(C)C(C)(C)C)c6F)c5)CC4C3)nn12,AVLUKQXVWVQDSD-UHFFFAOYSA-N
-rxn:4:222364:223504,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)cc2[N+](=O)[O-])CC1,LSDUAIHURZNBMO-UHFFFAOYSA-N
-rxn:4:222364:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cnc(N4CCC(Cn5nc(-n6cncn6)ccc5=O)CC4)nc3)c2)CC1,QSAQACFAQQTULJ-UHFFFAOYSA-N
-rxn:4:222367:223810,Cc1cc(-c2cnc(N3CCN(c4ncnc5c4ncn5CC4CCCO4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,WGGYOOAEQWOPQB-UHFFFAOYSA-N
-rxn:4:222367:223997,Cc1cc(-c2cnc(N3CCN(c4ncnc5c4ncn5CC4CCCO4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCOCC1,KBGPOQOGPWTCKE-UHFFFAOYSA-N
-rxn:4:222378:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ncnc6c5ncn6CC)CC4)nc3)ccc2OC)CC1,CYZLGNHLRSEWBH-UHFFFAOYSA-N
-rxn:4:222378:223695,CCn1cnc2c(N3CCN(c4ncc(-c5cccc(S(=O)(=O)N6CCC7(CC6)OCCO7)c5)cn4)CC3)ncnc21,BXOCPILRWDHFGF-UHFFFAOYSA-N
-rxn:4:222378:223696,CCn1cnc2c(N3CCN(c4ncc(-c5ccc(S(=O)(=O)N6CCC7(CC6)OCCO7)cc5)cn4)CC3)ncnc21,LGAJXFMVHJMBAJ-UHFFFAOYSA-N
-rxn:4:222379:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ncnc6c5ncn6C5CC5)CC4)nc3)ccc2OC)CC1,RZWHPPSKMXUKBE-UHFFFAOYSA-N
-rxn:4:222379:223810,Cc1cc(-c2cnc(N3CCN(c4ncnc5c4ncn5C4CC4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,LTFVKGKSAOJRIO-UHFFFAOYSA-N
-rxn:4:222379:223831,COc1ccc(-c2cnc(N3CCN(c4ncnc5c4ncn5C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,SQIQFSNRCIUMLD-UHFFFAOYSA-N
-rxn:4:222379:223834,Cc1cc(-c2cnc(N3CCN(c4ncnc5c4ncn5C4CC4)CC3)nc2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,KDWRXODOPBWPRY-UHFFFAOYSA-N
-rxn:4:222379:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1,AVMFTMSLRZXVDZ-UHFFFAOYSA-N
-rxn:4:222379:223840,COc1ccc(-c2cnc(N3CCN(c4ncnc5c4ncn5C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,UYMXXYGMRWPJAM-UHFFFAOYSA-N
-rxn:4:222379:223992,Cc1ccc(-c2cnc(N3CCN(c4ncnc5c4ncn5C4CC4)CC3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,BDFARBSTSLWJFA-UHFFFAOYSA-N
-rxn:4:222383:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ncnc6c5ncn6C)CC4)nc3)ccc2OC)CC1,HIPIQWVWRCAZDN-UHFFFAOYSA-N
-rxn:4:222384:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCN(c5ncnc6ncn(C)c56)CC4)nc3)ccc2OC)CC1,KOIDMRBOPXKKJL-UHFFFAOYSA-N
-rxn:4:222385:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCCN(c5ccc6nnc(C)n6n5)CC4)nc3)ccc2OC)CC1,RFTOZAAQBAOKJZ-UHFFFAOYSA-N
-rxn:4:222387:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)ccc2OC)CC1,ANFIEFYYZQIRGW-UHFFFAOYSA-N
-rxn:4:222387:223831,COc1ccc(-c2cnc(N3CCOC(Cn4nnc5ncc(-c6cnn(C)c6)nc54)C3)nc2)cc1S(=O)(=O)N1CCC(C)CC1,ZZZPAQDOFZSIJX-UHFFFAOYSA-N
-rxn:4:222387:223838,CN(C)S(=O)(=O)N1CCN(c2ccc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)cc2)CC1,NKACAIAEOLEIHN-UHFFFAOYSA-N
-rxn:4:222387:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cnc(N2CCOC(Cn3nnc4ncc(-c5cnn(C)c5)nc43)C2)nc1,DEKPEEHUIOLADR-UHFFFAOYSA-N
-rxn:4:222387:223840,COc1ccc(-c2cnc(N3CCOC(Cn4nnc5ncc(-c6cnn(C)c6)nc54)C3)nc2)cc1S(=O)(=O)N1CCN(C)CC1,CACVCJPDGJDDPM-UHFFFAOYSA-N
-rxn:4:222387:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cnc(N3CCOC(Cn4nnc5ncc(-c6cnn(C)c6)nc54)C3)nc2)CC1,QNCLKFHNSORZHQ-UHFFFAOYSA-N
-rxn:4:222389:185376,CC(C)CS(=O)(=O)C1CCCN(S(=O)(=O)c2ccccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)C1,YBIILTJIUZPTRV-UHFFFAOYSA-N
-rxn:4:222461:199469,COC(=O)C(C(=O)OC)c1ncc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1C#N,RYZSTUYDIRHKAJ-UHFFFAOYSA-N
-rxn:4:222523:185026,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)c(C(F)(F)F)c1,UZQQONIVNJXMRG-UHFFFAOYSA-N
-rxn:4:222613:178488,CCCNS(=O)(=O)c1ccc(-c2ccc(OCC(F)F)c3c2CCCC3)c(C(F)(F)F)c1,GBSHNWCWQHMJPI-UHFFFAOYSA-N
-rxn:4:222682:187353,COc1cccc(-c2coc([Si](C(C)C)(C(C)C)C(C)C)n2)c1NC(=O)OC(C)(C)C,NUJWODAUUXOEPE-UHFFFAOYSA-N
-rxn:4:222693:174662,CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5)ccc3-4)cc21,KTDGMKKRWQPJHB-UHFFFAOYSA-N
-rxn:4:222722:207736,CN1C2CCC1CC(Oc1ccc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cn1)C2,ZJWSGGRUGLHJSM-UHFFFAOYSA-N
-rxn:4:222820:204544,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCO3)cc1F,JKXVOAPMZSWVNE-UHFFFAOYSA-N
-rxn:4:222821:215066,CC(C)(C)NS(=O)(=O)c1cc(-c2cnn3c2N(C(=O)OC(C)(C)C)CCC3)ccc1F,JSEORRHWNXMPPT-UHFFFAOYSA-N
-rxn:4:222883:178585,CC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)C(O[Si](C)(C)C(C)(C)C)CCO3)c(Cl)c1,FGSMYAMYUFGMLY-UHFFFAOYSA-N
-rxn:4:222951:187226,CC(=O)Nc1cc(C(F)(F)F)c(-c2ccc(N(C(=O)C(C)C)C3C=CS(=O)(=O)C3)cc2)cn1,DIOCTAKYNOFBQH-UHFFFAOYSA-N
-rxn:4:223082:184964,CNS(=O)(=O)c1c(C)cc(-c2cc(N(C)C(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cc1C,ABKBUDOMWOPVCE-UHFFFAOYSA-N
-rxn:4:223481:209990,CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(-c3ccc4cnn(C(F)F)c4c3)c(F)c2)CC1,KVHFKJGDTXTCND-UHFFFAOYSA-N
-rxn:4:223570:184162,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc3ccccc3c2)cc1-c1c(F)ncc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,GGEHJMMDJRKTET-UHFFFAOYSA-N
-rxn:4:223570:186840,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(N(C)C(=O)OC(C)(C)C)c3)c(F)ncc21,OTPKBPXFHQALPB-UHFFFAOYSA-N
-rxn:4:223570:199999,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(=NC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)ccc4c3)c(F)ncc21,CIKPGOMKTBNTRT-UHFFFAOYSA-N
-rxn:4:223640:219502,CCOC12C(=O)c3cc(F)cc(-c4cncc(C(=O)N5CCC(N(C)c6ccccn6)CC5)c4)c3C(=O)C1C2(C)C,VLXIPJWEORGWIC-UHFFFAOYSA-N
-rxn:5:176590:223007:223054,CCOC(=O)c1c(-c2cc(F)cc(C3CCNCC3)c2)cccc1-c1ccc(C(C)N2CCC(O)C2)s1,UMSPXAHQJRMMMI-UHFFFAOYSA-N
-rxn:5:176856:225800:223062,COC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)cc(-c2ccc(C(=O)N3CCSC3)cc2)c1OC,JXNSLTPJWNHGAM-UHFFFAOYSA-N
-rxn:5:176859:223062:225976,COC(=O)c1cc(OC)c(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccnc(N2CCOCC2)c1F,GGDFYDDPXHKZNR-UHFFFAOYSA-N
-rxn:5:176863:225514:223062,COC(=O)c1cc(-c2cccc3c2OCC2(CC2)CO3)cc(OC)c1-c1cnc(C2CCNCC2)cc1F,PRVRSVDSHVVJFO-UHFFFAOYSA-N
-rxn:5:177184:225976:226662,CCOC(=O)c1c(-c2ccc(N3CCN(C)CC3)s2)ccc(C)c1-c1ccnc(N2CCOCC2)c1F,GGPAFGRMDVDWIA-UHFFFAOYSA-N
-rxn:5:177185:223062:225976,CC(C)OC(=O)c1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccnc(N2CCOCC2)c1F,UVANUGPVGLGXOM-UHFFFAOYSA-N
-rxn:5:177188:226662:223064,CCOC(=O)c1ccc(-c2ccc(N3CCN(C)CC3)s2)c(-c2ccc(C3CCNCC3)nc2F)c1C,RCERIXDPAKVCSK-UHFFFAOYSA-N
-rxn:5:177189:223061:225601,CCOC(=O)c1c(-c2cc(C3CCNCC3)ncc2F)ccc(C)c1-c1ccc(C2(C#N)CCC2)cc1F,SQRQNVQCYSGIJR-UHFFFAOYSA-N
-rxn:5:177189:225591:223063,CCOC(=O)c1c(-c2cc(CN3CCCC3)ccc2F)ccc(C)c1-c1cc(F)nc(C2CCNCC2)c1,OQOUHBXSASTYDB-UHFFFAOYSA-N
-rxn:5:177189:225652:223008,CCOC(=O)c1c(-c2cncc(N3CCCC(C)C3)c2)ccc(C)c1-c1cc(C2CCNCC2)ccc1F,BEQHQJQSNFJXTD-UHFFFAOYSA-N
-rxn:5:177190:222987:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccc(C3CCNCC3)nc2C)c1,PTDXPUYKIDBVHI-UHFFFAOYSA-N
-rxn:5:177190:226686:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2c(C)cnn2C2CCCCO2)c1,PJERYYIKFAOEDK-UHFFFAOYSA-N
-rxn:5:177190:226729:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2cnc(OC3CCOC3)nc2)c1,YWMLRRYHLXRYFX-UHFFFAOYSA-N
-rxn:5:177190:226898:225814,CCS(=O)(=O)Cc1ccc(-c2cccc(C3(C(F)(F)F)CC3)c2)c(-c2cn(S(=O)(=O)N(C)C)nc2C)c1,GYGSBAKEXIKKMX-UHFFFAOYSA-N
-rxn:5:177193:223054:223062,CCOC(=O)c1cc(C)c(-c2ccc(C(C)N3CCC(O)C3)s2)cc1-c1cnc(C2CCNCC2)cc1F,DHAYPKFDRNLJOI-UHFFFAOYSA-N
-rxn:5:177193:223062:222989,CCOC(=O)c1cc(C)c(-c2cnc(C3CCNCC3)cc2F)cc1-c1ccc(N2CCNCC2)cc1C,RVBPBVSUINCHQP-UHFFFAOYSA-N
-rxn:5:177193:225591:223063,CCOC(=O)c1cc(C)c(-c2cc(CN3CCCC3)ccc2F)cc1-c1cc(F)nc(C2CCNCC2)c1,KEHZKHZVJORBIO-UHFFFAOYSA-N
-rxn:5:177373:225881:223001,Fc1ccc(C2CCCNC2)cc1-c1ccc(OCC2OCCO2)c(-c2ccc(C3CCOCC3)nc2F)c1,VGYJYIKYZVRSPE-UHFFFAOYSA-N
-rxn:5:177373:227803:225633,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(N3CCCCCC3)nc2)ccc1OCC1OCCO1,JWRXJVQVRZYQAF-UHFFFAOYSA-N
-rxn:5:177730:223133:223054,CC(c1ccc(-c2ccc(-c3ccccc3N3CCNCC3)cc2C(=O)OC(C)(C)C)s1)N1CCC(O)C1,SIEBZVDLPSXREW-UHFFFAOYSA-N
-rxn:5:177731:225394:226150,CC(C)(C)OC(=O)c1ccc(-c2cccc(SC3CCCC3)c2)cc1-c1cc(C2CCC2)cc(C2CC2)c1,DMHOOUDRFOYEAB-UHFFFAOYSA-N
-rxn:5:177731:225438:223064,CC(c1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3F)ccc2C(=O)OC(C)(C)C)cc1)N1CCCC1,CXJWXBUJPSAHIA-UHFFFAOYSA-N
-rxn:5:177733:225394:226085,CC(C)(C)OC(=O)c1cc(-c2cc(C3CCC3)cc(C3CC3)c2)cc(-c2ccc3c(c2)CCC(C)(C)O3)c1,GVVCWMDBDKZQKV-UHFFFAOYSA-N
-rxn:5:177733:225438:223294,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3csc(N4CCNCC4)n3)c2)cc1)N1CCCC1,FQYRAVKHRFFEAU-UHFFFAOYSA-N
-rxn:5:177734:223294:226661,Cc1cc(-c2csc(N3CCNCC3)n2)c(-c2cc(N3CCN(C)CC3)cs2)cc1C(=O)OC(C)C,WTWUIEYUSCDAFX-UHFFFAOYSA-N
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-rxn:5:177737:226663:225833,CC(C)(C)OC(=O)c1cc(-c2ccnc(N3CCCCC3)c2F)ccc1-c1ccc(N2CCSCC2)nc1,CUSHFQYYUJDIHN-UHFFFAOYSA-N
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-rxn:5:177739:227426:223054,CC(c1ccc(-c2c(C(=O)OC(C)(C)C)cccc2-c2ccc(C3CCCO3)nc2)s1)N1CCC(O)C1,UGJLLPYZPVCFEQ-UHFFFAOYSA-N
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-rxn:5:177891:223135:225465,CN1CCC(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cccnc3C3CCCNC3)c2)CC1,QYGSHUMIRLOGMS-UHFFFAOYSA-N
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-rxn:5:177891:226174:222421,NS(=O)(=O)c1cncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(C3CCCCC3)nc2)c1,CFRQWILLXAXNDL-UHFFFAOYSA-N
-rxn:5:177891:226590:228119,CC(C)Sc1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3CCOC3)nc2)cn1,XIWXMFIPWRXZNT-UHFFFAOYSA-N
-rxn:5:177891:226645:228339,COC(=O)c1cnccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccnc(N2CCOCC2)c1,NSAGQNMOVTUROI-UHFFFAOYSA-N
-rxn:5:177891:226649:226583,O=C(SC1CS(=O)(=O)CC1c1ccc(CN2CCOCC2)s1)c1ccccc1-c1cccnc1N1CCOCC1,YKZCHFXEROOING-UHFFFAOYSA-N
-rxn:5:177891:226665:223146,O=C(SC1CS(=O)(=O)CC1c1cccc(C2CNCCO2)c1)c1ccccc1-c1cnc(C2CCCOC2)nc1,DUYXVGAGAVVSOF-UHFFFAOYSA-N
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-rxn:5:177891:227438:225439,CC(c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCOC3)c2)c1)N1CCCC1,WQPLFVZMXFUSAT-UHFFFAOYSA-N
-rxn:5:177891:227438:226729,O=C(SC1CS(=O)(=O)CC1c1cnc(OC2CCOC2)nc1)c1ccccc1-c1ccnc(C2CCOC2)c1,SCNQANIYIJQBIX-UHFFFAOYSA-N
-rxn:5:177891:227517:223242,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNC2)c1)c1ccccc1-c1ccc(OC2COC2)nc1,LYALDEXCBKUYOF-UHFFFAOYSA-N
-rxn:5:177891:227517:227103,O=C(SC1CS(=O)(=O)CC1c1sccc1C1CCCCC1)c1ccccc1-c1ccc(OC2COC2)nc1,JNLLHOQLXJLCPI-UHFFFAOYSA-N
-rxn:5:177891:227611:222420,NS(=O)(=O)c1ccccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1ccnn1C1CCCCO1,HJGOIHXDGCQMLL-UHFFFAOYSA-N
-rxn:5:177891:227613:228307,CON(C)c1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnn(C3CCOCC3)c2)ccn1,NEZAFTVZCKKKJQ-UHFFFAOYSA-N
-rxn:5:177891:227656:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cc(N2CCOCC2)cs1,IRVWICICPXCAMN-UHFFFAOYSA-N
-rxn:5:177891:227656:228136,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2CC2)nc1)c1ccccc1-c1cc(N2CCOCC2)cs1,RAHSMGJQJIPETN-UHFFFAOYSA-N
-rxn:5:178118:222960:227507,Cc1cc(-c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2OCC2CCCCO2)cc(C2CCNCC2)c1,IBIVQTMSHHAWQJ-UHFFFAOYSA-N
-rxn:5:178121:226857:225465,CN1CCC(c2cccc(-c3cccc(OCC4CCOCC4)c3-c3cc(OC(F)(F)F)ccc3F)c2)CC1,BOBZABHQZLPTIA-UHFFFAOYSA-N
-rxn:5:178122:223082:223058,CNS(=O)(=O)c1c(C)cc(-c2ccc(COC3CCCCO3)c(-c3cc(F)nc(C4CCCNC4)c3)c2)cc1C,PHOHJGRJRNAADF-UHFFFAOYSA-N
-rxn:5:178225:227449:227803,CN(C)S(=O)(=O)n1nccc1-c1c(OCC2CCCCC2)cccc1-c1ccc(C2CCOCC2)s1,SVEBCNDTTDYZDF-UHFFFAOYSA-N
-rxn:5:178226:226041:226794,O=[N+]([O-])c1cccc(C(F)(F)F)c1-c1c(OCC2CCCCC2)cccc1-c1cnc(N2CCSCC2)nc1,NBDBCYSPHAIVAC-UHFFFAOYSA-N
-rxn:5:178226:227449:227803,CN(C)S(=O)(=O)n1nccc1-c1cccc(OCC2CCCCC2)c1-c1ccc(C2CCOCC2)s1,OCCYQGBQTPJDJC-UHFFFAOYSA-N
-rxn:5:178295:223172:223061,COC(=O)C1(c2cc(-c3cc(C4CCNCC4)ncc3F)ccc2-c2cc3cc([N+](=O)[O-])ccc3[nH]2)CCC(=O)CC1,DOBJRSAWFFMWGD-UHFFFAOYSA-N
-rxn:5:178295:225886:226915,COC(=O)C1(c2cc(-c3ccc(C4CCCC4)cc3)ccc2-c2ccc3c(ccn3S(C)(=O)=O)c2)CCC(=O)CC1,FCPFDAUIQARYFA-UHFFFAOYSA-N
-rxn:5:178295:226581:227940,CCc1cc(SC)cc(-c2ccc(-c3cccc(C(=O)N(C)C)c3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,HTQKKOUVKQRIQT-UHFFFAOYSA-N
-rxn:5:178295:226753:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc(OC)cc3C(F)(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,LIYBMALRLMJPIE-UHFFFAOYSA-N
-rxn:5:178295:227079:227940,CCc1cc(SC)cc(-c2ccc(-c3cc(CC(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ZUHWHGUIFDFGNN-UHFFFAOYSA-N
-rxn:5:178295:227102:227071,COCc1cc(C)c(-c2ccc(-c3cc(C(C)(C)C)ccc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,HAUHRZZOCCSSRS-UHFFFAOYSA-N
-rxn:5:178295:227107:227922,CCc1cc(OC)ccc1-c1ccc(-c2cc(C)cc(C3CC3)c2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,KIBOOGJMXJZLKF-UHFFFAOYSA-N
-rxn:5:178295:227292:227940,CCc1cc(SC)cc(-c2ccc(-c3ccc(F)c(CN(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,AQVLDRDXQZNFFW-UHFFFAOYSA-N
-rxn:5:178295:227309:228443,CCC(C)c1cc(-c2ccc(-c3ccc(F)c(SC)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)cc(F)n1,LPRCHRIJJLTDSW-UHFFFAOYSA-N
-rxn:5:178295:227329:228420,COC(=O)C1(c2cc(-c3cc(F)c(SC)c(F)c3)ccc2-c2cc(C(C)=O)ccc2OC)CCC(=O)CC1,IHYQVRAGSBZMEA-UHFFFAOYSA-N
-rxn:5:178295:227540:223011,COC(=O)C1(c2cc(-c3cc4[nH]ncc4cc3OC(C)C)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,FMJKJGZOIHHXLO-UHFFFAOYSA-N
-rxn:5:178295:227591:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2ccc(C(F)F)cc2OC)CCC(=O)CC1,INNUBYHCESAPKS-UHFFFAOYSA-N
-rxn:5:178295:227716:227940,CCc1cc(SC)cc(-c2ccc(-c3cccc(F)c3OC(F)F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ILGWFCGRHQLTKX-UHFFFAOYSA-N
-rxn:5:178295:227826:227311,CCC(C)c1cc(F)c(-c2ccc(-c3cccc(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,FAUDOBOMCWDCSL-UHFFFAOYSA-N
-rxn:5:178295:228003:227591,COC(=O)C1(c2cc(-c3ccc(C(F)F)cc3OC)ccc2-c2c(C)cc(SC)cc2C)CCC(=O)CC1,CKGJTPZAIHBLMQ-UHFFFAOYSA-N
-rxn:5:178295:228097:227432,COC(=O)C1(c2cc(-c3ccc(C4COC4)nc3C)ccc2-c2cncc(CN(C)C)c2)CCC(=O)CC1,WGUGZNJFCJNDQM-UHFFFAOYSA-N
-rxn:5:178295:228274:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(SC)c(C)cc2F)c(C2(C(=O)OC)CCC(=O)CC2)c1,JJJASGCXOBLARM-UHFFFAOYSA-N
-rxn:5:178313:225498:225394,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCCC3)ccc2F)c(-c2cc(C3CCC3)cc(C3CC3)c2)c1,MOWQOSIXNGXTAI-UHFFFAOYSA-N
-rxn:5:178313:226183:226190,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnccc2C2CCCCC2)c(-c2ccc(C3CCCC3)cc2F)c1,HTLCXXIKMVTFSJ-UHFFFAOYSA-N
-rxn:5:178313:227047:225666,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(SC3CCC3)c2)c(-c2cc(F)cc(N3CCCCC3)c2)c1,WVEWFJCJRZJRCC-UHFFFAOYSA-N
-rxn:5:178313:227119:226064,CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(C3CCCCC3)cs2)c(-c2ccc(C3CCCCC3)cc2)c1,VODAUDQIRRXMEY-UHFFFAOYSA-N
-rxn:5:178314:223056:227770,COc1ncc(-c2ccc(-c3ccc(N4CCC(O)CC4)nc3)cc2O[Si](C)(C)C(C)(C)C)cc1[N+](=O)[O-],AJWUQEUHXWDTIF-UHFFFAOYSA-N
-rxn:5:178314:226069:225464,CC1CCCN(c2cccc(-c3ccc(-c4cccc(C5CCCCC5)c4)cc3O[Si](C)(C)C(C)(C)C)c2)C1,IASVYQCKSINYDV-UHFFFAOYSA-N
-rxn:5:178314:226146:226069,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(SC3CCCC3)cc2)ccc1-c1cccc(C2CCCCC2)c1,ADGMCICQKRFBRA-UHFFFAOYSA-N
-rxn:5:178314:226179:225498,CC(C)(C)[Si](C)(C)Oc1cc(-c2cncc(C3CCCCC3)c2)ccc1-c1cc(C2CCCCC2)ccc1F,QIVMXYAJOGYGPW-UHFFFAOYSA-N
-rxn:5:178314:226918:225453,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCC3)cc2)ccc1-c1cccc(SC2CCCCC2)c1,XTAKHHUBHRNYND-UHFFFAOYSA-N
-rxn:5:178314:227045:225407,CC(C)(C)Sc1cccc(-c2ccc(-c3ccc(C4CCCCCC4)cc3)c(O[Si](C)(C)C(C)(C)C)c2)c1,FUYBXSDKUZGIEA-UHFFFAOYSA-N
-rxn:5:178314:227085:225407,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3CCCC3)nc2)ccc1-c1ccc(C2CCCCCC2)cc1,VXJQYDIHVPDYCJ-UHFFFAOYSA-N
-rxn:5:178315:225450:227319,CC(C)Cc1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(C(=O)C4CCCC4)cc3)c2)c(F)cn1,FIQVXGHSMFWZET-UHFFFAOYSA-N
-rxn:5:178315:225671:226918,CC(C)(C)[Si](C)(C)Oc1cc(-c2ccc(C3=CCCC3)cc2)cc(-c2cc(C3CCCCC3)ncc2F)c1,GKDXBIVKETUPJJ-UHFFFAOYSA-N
-rxn:5:178315:226146:226155,CC(=O)c1cc(-c2cc(O[Si](C)(C)C(C)(C)C)cc(-c3ccc(SC4CCCC4)cc3)c2)cc(C2CC2)c1,QGOBYIJPRKHDDQ-UHFFFAOYSA-N
-rxn:5:178315:226190:227119,CC(C)(C)[Si](C)(C)Oc1cc(-c2cc(C3CCCCC3)cs2)cc(-c2ccc(C3CCCC3)cc2F)c1,RXTIEZUAMCREDY-UHFFFAOYSA-N
-rxn:5:178353:222980:223133,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccccc3N3CCNCC3)c(C)c2)c(C)cc1-c1ccc(CN2CCNCC2)cc1,FMBVEPUVRCCBPB-UHFFFAOYSA-N
-rxn:5:178466:223061:225454,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1ccc(C2=CCN(C)CC2)cc1,OIVGCWWARWFXKQ-UHFFFAOYSA-N
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-rxn:5:178467:222983:223378,CCOC(=O)C1=Cc2cc(-c3cnc4c(c3)NCCO4)cc(-c3cccc(CN4CCC(O)C4)c3)c2OC1,LSFWKTYDPUXYCM-UHFFFAOYSA-N
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-rxn:5:178467:222986:228138,CCOC(=O)C1=Cc2cc(-c3ccc(CC#N)c(F)c3)cc(-c3cc(C)nc(C4CCCNC4)c3)c2OC1,CMZDABFEXMXONS-UHFFFAOYSA-N
-rxn:5:178467:222996:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3ccc(F)cc3C3CCCNC3)c2OC1,RQNQKNHZTCZJPK-UHFFFAOYSA-N
-rxn:5:178467:223000:227278,CCOC(=O)C1=Cc2cc(-c3ccc(C4(C#N)CC4)nc3)cc(-c3ccc(C4CCCNC4)c(F)c3)c2OC1,VXFHUSAJRSKGHA-UHFFFAOYSA-N
-rxn:5:178467:223062:227944,CCOC(=O)C1=Cc2cc(-c3cncc(C(C)(C)C)c3)cc(-c3cnc(C4CCNCC4)cc3F)c2OC1,MRAPXWHPYBIFEG-UHFFFAOYSA-N
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-rxn:5:178467:223133:227701,CCOC(=O)C1=Cc2cc(-c3cc(C(=O)OC)ncc3F)cc(-c3ccccc3N3CCNCC3)c2OC1,RTGWSXOLMFFKLM-UHFFFAOYSA-N
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-rxn:5:178467:223240:226320,CCOC(=O)C1=Cc2cc(-c3cc(C4(C#N)CC4)ccc3F)cc(-c3ccc(C4CCNC4)nc3)c2OC1,RGEQBTOBSJHOMJ-UHFFFAOYSA-N
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-rxn:5:178467:223281:223138,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNCC4)c3)cc(-c3ccc(C4(O)COC4)nc3)c2OC1,HGZKINORPMQKAZ-UHFFFAOYSA-N
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-rxn:5:178467:226794:225849,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCCCC4)cc3F)cc(-c3cnc(N4CCSCC4)nc3)c2OC1,TYHSZBTVKONLOB-UHFFFAOYSA-N
-rxn:5:178467:227278:222996,CCOC(=O)C1=Cc2cc(-c3ccc(F)cc3C3CCCNC3)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,JWPZBBZBCZVNMK-UHFFFAOYSA-N
-rxn:5:178467:227278:223008,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ccc3F)cc(-c3ccc(C4(C#N)CC4)nc3)c2OC1,YCAIKHROUZJWRX-UHFFFAOYSA-N
-rxn:5:178467:227299:222981,CCOC(=O)C1=Cc2cc(-c3ccnc(NC4CCCCC4)c3)cc(-c3cc(F)cc(CN(C)C)c3)c2OC1,GQBGNPCJUUATHN-UHFFFAOYSA-N
-rxn:5:178467:227491:227803,CCOC(=O)C1=Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3cnc(OC4CCC4)nc3)c2OC1,QQHMZXZWXBLGAD-UHFFFAOYSA-N
-rxn:5:178467:227507:223063,CCOC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3cccc(C=C[N+](=O)[O-])c3)c2OC1,IIHKSFJOWTWPML-UHFFFAOYSA-N
-rxn:5:178467:227519:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cnc(C(=O)OC)cc3C)c2OC1,LETRUBBFSJFZTQ-UHFFFAOYSA-N
-rxn:5:178467:227524:226794,CCOC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cc(OC)c(C#N)cc3F)c2OC1,VYRHIUBQWWNXFE-UHFFFAOYSA-N
-rxn:5:178467:228097:225636,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCC(C)CC4)c3)cc(-c3cncc(CN(C)C)c3)c2OC1,VRYJRHAPMXJIHR-UHFFFAOYSA-N
-rxn:5:178467:228138:222985,CCOC(=O)C1=Cc2cc(-c3ccc(C4CCCNC4)nc3C)cc(-c3ccc(CC#N)c(F)c3)c2OC1,PJCGZYXRWAXQBX-UHFFFAOYSA-N
-rxn:5:178467:228138:222986,CCOC(=O)C1=Cc2cc(-c3cc(C)nc(C4CCCNC4)c3)cc(-c3ccc(CC#N)c(F)c3)c2OC1,PRYNCVSMNQLSHY-UHFFFAOYSA-N
-rxn:5:178467:228974:222989,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3C)cc(-c3cnn(S(C)(=O)=O)c3)c2OC1,KKNUSFGPOONKEP-UHFFFAOYSA-N
-rxn:5:178556:223002:226329,N#CC1(c2ccc(-c3ccc(-c4ccc(C5CCNCC5)cc4F)c(COc4ccc5c(c4)C(=O)CCC5)c3)cc2F)CC1,JGCAILAERVGCLR-UHFFFAOYSA-N
-rxn:5:178556:225435:226426,CC1CCN(c2ccc(-c3ccc(-c4ccccc4CN4CCCCC4)c(COc4ccc5c(c4)C(=O)CCC5)c3)s2)CC1,HQWJOCFAURFWIM-UHFFFAOYSA-N
-rxn:5:178556:225438:226137,CC(C)c1ncc(C2CC2)cc1-c1ccc(-c2ccc(C(C)N3CCCC3)cc2)c(COc2ccc3c(c2)C(=O)CCC3)c1,OLBAVFGHNRZKCZ-UHFFFAOYSA-N
-rxn:5:179629:223058:222995,COc1ccc(-c2cc(F)nc(C3CCCNC3)c2)c(S(C)(=O)=O)c1-c1cccc(N2CCCC(O)C2)c1,SYHHFLGAAHGXGM-UHFFFAOYSA-N
-rxn:5:180021:226414:225987,COc1c(-c2ccc(C3=NCCCO3)cc2)cc(C2OCCO2)cc1-c1ccc(N2CCCS2(=O)=O)cc1,QAUATSXVQRUBHX-UHFFFAOYSA-N
-rxn:5:180022:225985:227119,COc1c(-c2cc(C3CCCCC3)cs2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,WLURQULGMRICQJ-UHFFFAOYSA-N
-rxn:5:180022:225986:227119,COc1c(-c2cc(C3CCCCC3)cs2)ccc(-c2ccccc2N2CCCS2(=O)=O)c1C1OCCO1,DHKQZZPQNGVVRZ-UHFFFAOYSA-N
-rxn:5:180022:226414:225987,COc1c(-c2ccc(N3CCCS3(=O)=O)cc2)ccc(-c2ccc(C3=NCCCO3)cc2)c1C1OCCO1,NIFMLIMXGFXZFO-UHFFFAOYSA-N
-rxn:5:180267:225924:225818,CSc1cc(C(C)(C)C)cc(-c2ccc(S(=O)(=O)N(C)C)cc2C)c1-c1ccc(C(F)(F)F)cc1C1CC1,UIEYDKDWBLHJHD-UHFFFAOYSA-N
-rxn:5:180297:223007:227506,COc1cc(-c2cc(F)cc(C3CCNCC3)c2)c(C2(C)OCCO2)cc1-c1cccc(/C=C/[N+](=O)[O-])c1,XGLIFQOAXCLTAJ-DHZHZOJOSA-N
-rxn:5:180506:225821:225886,CC(C)(C)c1cc(-c2ccc(C3CC3)c(C(F)(F)F)c2)c(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(C2OCCO2)c1,BMOHTUZVKNWHEE-UHFFFAOYSA-N
-rxn:5:180506:225886:225499,CC(C)(C)c1cc(-c2ccc3c(ccn3S(C)(=O)=O)c2)c(-c2ccc(C3CCCCC3)cc2F)c(C2OCCO2)c1,XQCBCNKCPNQACZ-UHFFFAOYSA-N
-rxn:5:180602:225597:227803,COC(=O)C1Cc2cc(-c3ccnn3S(=O)(=O)N(C)C)cc(-c3ccc(OC4CCCCC4)nc3)c2O1,LYDCPOMSESUKAK-UHFFFAOYSA-N
-rxn:5:180602:225982:226395,COC(=O)C1Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3cnc(N4CCOCC4)cc3F)c2O1,AQZOUQSRYKSLOU-UHFFFAOYSA-N
-rxn:5:180602:226366:225833,COC(=O)C1Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3ccnc(N4CCCCC4)c3)c2O1,KENHSUMDRRZADG-UHFFFAOYSA-N
-rxn:5:180662:223056:227505,COC(=O)C1=Cc2cc(-c3ccc(/C=C/[N+](=O)[O-])cc3)cc(-c3ccc(N4CCC(O)CC4)nc3)c2OC1,VTYPTODSWCDPLO-MDWZMJQESA-N
-rxn:5:180662:223200:223010,COC(=O)C1=Cc2cc(-c3ccc(C4(O)CCOCC4)cc3)cc(-c3ccc(C4CCNC4)cc3)c2OC1,BYAGUUMQWXVSBS-UHFFFAOYSA-N
-rxn:5:180662:226649:226743,CCc1cc(-c2cc3c(c(-c4cccnc4N4CCOCC4)c2)OCC(C(=O)OC)=C3)cc(C(F)(F)F)n1,UWPZWISHLQAAIF-UHFFFAOYSA-N
-rxn:5:180662:227019:223063,COC(=O)C1=Cc2cc(-c3cc(F)nc(C4CCNCC4)c3)cc(-c3cccc(C(C)(C)C#N)c3)c2OC1,VKPRFGUFCUWCDF-UHFFFAOYSA-N
-rxn:5:181628:225832:225988,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2c(F)cc(C3OCCO3)cc2F)c(C2OCCO2)c1,JAOUXELPVZPNQU-UHFFFAOYSA-N
-rxn:5:181907:223135:225832,Cc1cc(-c2cccnc2C2CCCNC2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,VKHPAOOIBXDYLW-UHFFFAOYSA-N
-rxn:5:181907:225439:222987,Cc1cc(-c2cccc(C(C)N3CCCC3)c2)c(-c2ccc(C3CCNCC3)nc2C)c(C2OCCO2)c1,FPIFIOMZEONADK-UHFFFAOYSA-N
-rxn:5:181907:225784:225684,Cc1cc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccc(C3CCOCC3)nc2C)c(C2OCCO2)c1,ATIMWCRVVHHXJY-UHFFFAOYSA-N
-rxn:5:181908:222960:225466,Cc1cc(-c2cc(C)c(C3OCCO3)cc2-c2ccc(N3CCCCC3C)cc2)cc(C2CCNCC2)c1,OKAXERKEOPEQBE-UHFFFAOYSA-N
-rxn:5:181908:225607:223186,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2cnn(C3CCCCO3)c2)cc1C1OCCO1,NGEOVNMMUUZRAY-UHFFFAOYSA-N
-rxn:5:181908:226179:225607,Cc1cc(-c2cncc(C3CCCCC3)c2)c(-c2ccc(C(C)N3CCCCC3)s2)cc1C1OCCO1,VNPWCCIJPYWVRH-UHFFFAOYSA-N
-rxn:5:181908:226330:225985,Cc1cc(-c2ccc(C(C)N3CCCC3)s2)c(-c2cccc(N3CCCS3(=O)=O)c2)cc1C1OCCO1,MFRUXIIUYAPACN-UHFFFAOYSA-N
-rxn:5:181908:226686:222980,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(CN3CCNCC3)cc2)cc1C1OCCO1,QLLFHMGEUQDSMM-UHFFFAOYSA-N
-rxn:5:182010:225832:226174,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2ccc(C3CCCCC3)nc2)ccc1C1CCOCC1,FDOSQOZPZKLPGH-UHFFFAOYSA-N
-rxn:5:182012:226645:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2ccnc(N3CCOCC3)c2)cc1C1CCCOC1,WBCSEAQIZJDOCZ-UHFFFAOYSA-N
-rxn:5:182012:226686:225439,Cc1cnn(C2CCCCO2)c1-c1ccc(-c2cccc(C(C)N3CCCC3)c2)c(C2CCCOC2)c1,HLCPRPWXCBKQMP-UHFFFAOYSA-N
-rxn:5:188249:225933:226029,CCOc1c(F)c(F)c(-c2cc(C#N)c(OC(C)=O)c(-c3cc(C4CC4)nc(C(F)(F)F)c3)c2)c(F)c1F,YVSZRHYLAYOFMJ-UHFFFAOYSA-N
-rxn:5:188253:223001:222985,COC(=O)c1cc(C#N)cc(-c2cc(C3CCCNC3)ccc2F)c1-c1ccc(C2CCCNC2)nc1C,MTQDLCMBPPQTKU-UHFFFAOYSA-N
-rxn:5:188446:223140:223002,COC(=O)c1cc(-c2ccnc(C3CCCNC3)c2)c(-c2ccc(C3CCNCC3)cc2F)c([N+](=O)[O-])c1,PKBIUBNDPSKHGG-UHFFFAOYSA-N
-rxn:5:188446:225601:222985,COC(=O)c1cc(-c2ccc(C3(C#N)CCC3)cc2F)c(-c2ccc(C3CCCNC3)nc2C)c([N+](=O)[O-])c1,FVHVAIJNYBSSKX-UHFFFAOYSA-N
-rxn:5:188448:223141:223065,COC(=O)c1cc(-c2ccc(N3CCNCC3)cc2F)c([N+](=O)[O-])cc1-c1cncc(C2CCNCC2)c1,UMQIHCTWLHMPRA-UHFFFAOYSA-N
-rxn:5:188633:223056:223002,COC(=O)c1c(-c2ccc(N3CCC(O)CC3)nc2)cnc(OC)c1-c1ccc(C2CCNCC2)cc1F,JARANWYWSRYPNL-UHFFFAOYSA-N
-rxn:5:188868:222996:225440,CC(C)OC(=O)c1ccnc(-c2ccc(C3(C#N)CCCC3)cc2)c1-c1ccc(F)cc1C1CCCNC1,PZAAXRXVVACMFX-UHFFFAOYSA-N
-rxn:5:188872:223002:223064,CON(C)C(=O)c1cc(-c2ccc(C3CCNCC3)cc2F)ccc1-c1ccc(C2CCNCC2)nc1F,IYLCEYKNHCPXDE-UHFFFAOYSA-N
-rxn:5:188874:223002:223064,CON(C)C(=O)c1ccc(-c2ccc(C3CCNCC3)nc2F)cc1-c1ccc(C2CCNCC2)cc1F,TVLBTQFGWVUOPR-UHFFFAOYSA-N
-rxn:5:188874:225674:223061,CON(C)C(=O)c1ccc(-c2cc(C3CCNCC3)ncc2F)cc1-c1cnc(C2CCCCC2)cc1F,LOQXTCLBMKOZPJ-UHFFFAOYSA-N
-rxn:5:188874:225849:223001,CON(C)C(=O)c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1-c1cnc(N2CCCCC2)cc1F,ZHYBQWCEBJRKND-UHFFFAOYSA-N
-rxn:5:188930:225394:227381,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CCC3)cc(C3CC3)c2)cc1-c1cnc(C2CCCC2)nc1,OVWHGBIYHLVBGT-UHFFFAOYSA-N
-rxn:5:188930:226060:226374,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C3CC3)cc(C3CC3)c2)cc1-c1cncnc1C1CCCCC1,DJZNYVDOVWCNRB-UHFFFAOYSA-N
-rxn:5:188930:226321:223001,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(SC3CCCC3)nc2)cc1-c1cc(C2CCCNC2)ccc1F,HUPNTIRUAKMBRZ-UHFFFAOYSA-N
-rxn:5:188930:226323:226139,COC(=O)c1cc(S(N)(=O)=O)c(-c2ccc(OC3CCCC3)nc2)cc1-c1cc(C2CC2)cnc1C1CC1,ZOTQJDPJKXQRLX-UHFFFAOYSA-N
-rxn:5:188931:226426:223142,COC(=O)c1cc(-c2ccc(N3CCC(C)CC3)s2)cc(S(N)(=O)=O)c1-c1ccc(C2CCCNC2)nc1,JYOGFEIKKJPVQD-UHFFFAOYSA-N
-rxn:5:188932:223144:223138,COC(=O)c1cc(-c2ccc(N3CCC(O)C3)cc2)c(S(N)(=O)=O)c(-c2ccnc(C3CCNCC3)c2)c1,AVCVADCIDIWXOF-UHFFFAOYSA-N
-rxn:5:188932:226649:225639,COC(=O)c1cc(-c2cccnc2N2CCOCC2)c(S(N)(=O)=O)c(-c2cccnc2N2CCC(C)CC2)c1,IHFKKKKBVFFQFW-UHFFFAOYSA-N
-rxn:5:188932:226663:225407,COC(=O)c1cc(-c2ccc(C3CCCCCC3)cc2)c(S(N)(=O)=O)c(-c2ccc(N3CCSCC3)nc2)c1,UVCVKSFFBWHBHA-UHFFFAOYSA-N
-rxn:5:189207:226839:228318,COC(=O)c1ccncc1-c1ccc(-c2cc(C(F)(F)F)ncc2C#N)cc1C(=O)ON1C(=O)CCC1=O,KOFQXEVUKCACFE-UHFFFAOYSA-N
-rxn:5:189207:227069:223138,COc1ccc(-c2ccc(-c3ccnc(C4CCNCC4)c3)c(C(=O)ON3C(=O)CCC3=O)c2)c(C(C)C)c1,APNJEVZSFDJEHM-UHFFFAOYSA-N
-rxn:5:189209:228915:225394,COc1cnc(F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)cc(-c3cc(C4CCC4)cc(C4CC4)c3)c2)c1,VBWAFJAEYAXBLE-UHFFFAOYSA-N
-rxn:5:189211:225817:228493,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(C(F)(F)F)c(C3CC3)c2)c1-c1cc(F)c(F)c(F)c1F,BHRYFGXFAPFEOM-UHFFFAOYSA-N
-rxn:5:189211:228345:226151,COC(=O)c1sc(C)cc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1-c1cc(C)c(C)cc1OC(C)C,PLNUKMGJSLNQDF-UHFFFAOYSA-N
-rxn:5:189212:227037:227547,Cc1cc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2-c2cc(C#N)ccc2C2CC2)ccc1OC(F)F,OFBMGINSBZWLOD-UHFFFAOYSA-N
-rxn:5:189322:225594:223133,CC(C)(C)OC(=O)c1cc(-c2ccc(F)cc2CN2CCCC2)cnc1-c1ccccc1N1CCNCC1,PGUNGEVMKXGGJQ-UHFFFAOYSA-N
-rxn:5:189448:228345:226835,COC(=O)c1sc(C)cc1-c1ccc(C(=O)N2CC(OC)C2)cc1-c1cc(C(F)(F)F)nn1C(C)C,GJSHBSRVYDMLDQ-UHFFFAOYSA-N
-rxn:5:189449:226325:226839,COC1CN(C(=O)c2cc(-c3cc(C(F)(F)F)ncc3C#N)ccc2-c2ccc(C(C)(C)C#N)cc2F)C1,OGFHQCVBEYZUJU-UHFFFAOYSA-N
-rxn:5:189449:228121:225607,CCOc1nccc(C)c1-c1ccc(-c2ccc(C(C)N3CCCCC3)s2)cc1C(=O)N1CC(OC)C1,GBKMOFHANKUQOK-UHFFFAOYSA-N
-rxn:5:189665:226654:227292,CC1CCN(c2nc(-c3cnc(OCC4CCOCC4)c(-c4ccc(F)c(CN(C)C)c4)c3)cs2)CC1,VVAKQCXUDIEHBX-UHFFFAOYSA-N
-rxn:5:189665:227710:225631,CN1CCN(c2ccc(-c3cc(-c4ccc(OS(C)(=O)=O)cc4)cnc3OCC3CCOCC3)cc2)CC1,YFWDBWVJBHXHBP-UHFFFAOYSA-N
-rxn:5:189669:226064:226067,CC(C)(C)S(=O)/N=C/c1ccc(-c2ccc(C3CCCCC3)cc2)c(-c2ccc(C3=CCCCC3)cc2)c1,UUXIXGLEVVAGHO-YRRMYEEHSA-N
-rxn:5:189672:226067:225440,CC(C)(C)S(=O)/N=C/c1cccc(-c2ccc(C3=CCCCC3)cc2)c1-c1ccc(C2(C#N)CCCC2)cc1,DVCBNTPEJJRFBK-HWLOXFRGSA-N
-rxn:5:189827:225507:226901,COC(=O)C1CCc2cc(-c3cc(CC(=O)N4CCOCC4)ccc3-c3cccc(S(F)(F)(F)(F)F)c3)ccc21,KCTCRZZZQRXLMG-UHFFFAOYSA-N
-rxn:5:189910:226652:225440,Cc1cc(-c2ccc(-c3ccc(C4(C#N)CCCC4)cc3)c(CCN3CCOCC3)c2)n(C2CCCCO2)n1,VEMXSOYFKRNOPX-UHFFFAOYSA-N
-rxn:5:189952:225976:228703,COc1c(-c2cnn(C3CCC3)c2)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,XXDPQZWRKLQGRC-UHFFFAOYSA-N
-rxn:5:190000:222421:222960,Cc1cc(-c2ccc(CC(=O)N3CCCCC3)c(-c3cncc(S(N)(=O)=O)c3)c2)cc(C2CCNCC2)c1,CQRLMMFUSTYWQO-UHFFFAOYSA-N
-rxn:5:190000:225625:226920,Cc1ccc(C(C)(C)C)cc1-c1ccc(CC(=O)N2CCCCC2)c(-c2cc(OC3CCCC3)ccc2F)c1,JTBHCGYDPCLSTL-UHFFFAOYSA-N
-rxn:5:190000:226144:226190,C[Si](C)(C)C#Cc1ccc(-c2cc(-c3ccc(C4CCCC4)cc3F)ccc2CC(=O)N2CCCCC2)cc1,TWCSUNMPJJJBFV-UHFFFAOYSA-N
-rxn:5:190000:227052:226069,CC(C)(C)Sc1ccc(-c2cc(-c3cccc(C4CCCCC4)c3)ccc2CC(=O)N2CCCCC2)cc1,UWSIOVUDAKTRHR-UHFFFAOYSA-N
-rxn:5:190001:226594:226783,COc1cc(F)c(F)c(OC)c1-c1ccc(CC(=O)N2CCCCC2)cc1-c1c(F)cc(OC(C)C)cc1F,HZQTVGMXWTVEEE-UHFFFAOYSA-N
-rxn:5:190001:226709:226031,Cc1cc(C(F)(F)F)cc(C)c1-c1cc(CC(=O)N2CCCCC2)ccc1-c1ccc(C(F)(F)F)cc1C(F)F,CHIUAISPINQQGK-UHFFFAOYSA-N
-rxn:5:190001:227045:225440,CC(C)(C)Sc1cccc(-c2cc(CC(=O)N3CCCCC3)ccc2-c2ccc(C3(C#N)CCCC3)cc2)c1,HVDGRTSGABBGEX-UHFFFAOYSA-N
-rxn:5:190127:227562:227045,COc1ccc(F)c(-c2ccc(-c3cccc(SC(C)(C)C)c3)c(C(=O)N3CCC(OC)CC3)c2)c1OC,BNRXVKQDZSZFJJ-UHFFFAOYSA-N
-rxn:5:190131:225930:228700,COc1c(-c2ccc(N(C)C)nc2)cc(C(=O)N2CCCCC2)cc1-c1cc(C)ccc1S(=O)(=O)N(C)C,VGFTWFYDPRMCSL-UHFFFAOYSA-N
-rxn:5:190194:222998:228371,COC1CCN(Cc2cccc(-c3cc(F)cc(C4CCCNC4)c3)c2-c2ccc(F)c(C#N)c2F)CC1,IHUROBQMGRXRDV-UHFFFAOYSA-N
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-rxn:5:190194:227298:225976,COC1CCN(Cc2cccc(-c3cc(F)ccc3CN(C)C)c2-c2ccnc(N3CCOCC3)c2F)CC1,DCJUBBVTTFQYGJ-UHFFFAOYSA-N
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-rxn:5:190195:228366:222996,CN(C)c1ncc(-c2ccc(CN(C)C3CCOCC3)cc2-c2ccc(F)cc2C2CCCNC2)cc1F,VQOLLRHSWRQRBM-UHFFFAOYSA-N
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-rxn:5:192236:225465:222987,COc1cc(-c2ccc(C3CCNCC3)nc2C)c(S(N)(=O)=O)cc1-c1cccc(C2CCN(C)CC2)c1,NMXOCALTISICHW-UHFFFAOYSA-N
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-rxn:5:193228:227546:222980,COC(=O)c1cccc(-c2cc(C(=O)N3CCSCC3)cc(-c3ccc(CN4CCNCC4)cc3)c2)c1F,MWLAMMMLQCEKSD-UHFFFAOYSA-N
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-rxn:5:193231:227301:226662,CN(C)Cc1cc(F)ccc1-c1ccc(C(=O)N2CCSCC2)c(-c2ccc(N3CCN(C)CC3)s2)c1,WDTOALOXRZSWCL-UHFFFAOYSA-N
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-rxn:5:193382:223285:223147,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2ccc(C3CNCCO3)cc2)c1,PSMCJSVIOWVCON-UHFFFAOYSA-N
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-rxn:5:196408:225455:226898,Cc1ccc(N2CCCCC2)cc1-c1cc(-c2cn(S(=O)(=O)N(C)C)nc2C)ccc1C1=NOCCO1,UWBZBSCTRYVLJH-UHFFFAOYSA-N
-rxn:5:196408:225461:226898,Cc1cc(N2CCCCC2)ccc1-c1cc(-c2cn(S(=O)(=O)N(C)C)nc2C)ccc1C1=NOCCO1,DUDLILKHKVXUPM-UHFFFAOYSA-N
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-rxn:5:197876:223287:225814,CNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cccc(C4(C(F)(F)F)CC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1,NFQZDBZYJYAMND-UHFFFAOYSA-N
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-rxn:5:197876:225498:228792,CSc1ccc(-c2cc3c(cc2-c2cc(C4CCCCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1F,PCOGJEPEKVXRDU-UHFFFAOYSA-N
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-rxn:5:197876:225602:228557,COCc1cccc(-c2cc3c(cc2-c2cc(C4(C#N)CCC4)ccc2F)S(=O)(=O)N(C(C)(C)C)C3=O)c1,NVMWJWXXTMNPJC-UHFFFAOYSA-N
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-rxn:5:197876:226441:227820,CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(N4CCCC4)cc2F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1,BTTRQFGAQPAPHM-UHFFFAOYSA-N
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-rxn:5:197876:226761:228336,COc1ncc(-c2cc3c(cc2-c2ccc(SC)cc2C(F)(F)F)S(=O)(=O)N(C(C)(C)C)C3=O)cc1SC,YOYRNGGTWSKYLU-UHFFFAOYSA-N
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-rxn:5:197876:226768:227085,CSc1ccc(-c2cc3c(cc2-c2ccc(C4CCCC4)nc2)C(=O)N(C(C)(C)C)S3(=O)=O)cc1C(F)(F)F,PDYYAHJRRALDOP-UHFFFAOYSA-N
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