diff --git "a/Q9BY41_molecules.csv" "b/Q9BY41_molecules.csv"
--- "a/Q9BY41_molecules.csv"
+++ "b/Q9BY41_molecules.csv"
@@ -77341,3 +77341,1522 @@ rxn:5:228772:178295:226154,CCc1c(-c2ccc(-c3ccc(C(C)(C)C)cc3OC)cc2C2(C(=O)OC)CCC(
 rxn:5:228883:193972:226181,Cc1cc(-c2cc(C#N)cnc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(C2=CCCCC2)nc1,VTPFZRZZAAZFTO-UHFFFAOYSA-N
 rxn:5:228908:178295:226782,COC(=O)c1cc(F)c(-c2ccc(-c3cc(OC)ncc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,CSBRYXBSSVVECL-UHFFFAOYSA-N
 rxn:5:229017:193972:225833,Cc1cnc(C)c(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3F)cc2S(=O)(=O)N2CCCCCC2)c1,BBEFKHNAZPZTIK-UHFFFAOYSA-N
+rxn:4:173302:224401,CCOC(=O)Cc1ccc(OC(F)F)c(-c2ccc(C3COCCO3)c(C(F)(F)F)c2)c1,MHFQPAZZWVPWGM-UHFFFAOYSA-N
+rxn:4:173350:223520,CCOCCOc1cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1OC,KZWOCLNYHLPYRV-UHFFFAOYSA-N
+rxn:4:173370:223499,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(OCC4CC4)c(OCC(F)(F)F)c3)ccc2Cl)CC1,VBRBCOMRGFNDAO-UHFFFAOYSA-N
+rxn:4:173447:225567,Cc1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)OC(C)(C)C)ccc1C(=O)OC(C)C,IDIRLVWNNZDWBS-UHFFFAOYSA-N
+rxn:4:173580:223606,CCOc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)c(F)c3)c2)cc1,FNPWDCGJCYLFLH-UHFFFAOYSA-N
+rxn:4:173596:223082,CNS(=O)(=O)c1c(C)cc(-c2c(OC)ccc(OC)c2-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1C,PNQUUCUGABMWMH-UHFFFAOYSA-N
+rxn:4:173596:224849,COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cc(C2CCCC2)cc(C2CC2)c1,LMJPEVZVOJXPPT-UHFFFAOYSA-N
+rxn:4:173642:222404,CCOC(=O)c1c(C)oc2cc(-c3ccc(C4NC(=O)NC4=O)cc3)c(OC(=O)C(C)(C)C)cc12,YGQCPYPQUMTMKX-UHFFFAOYSA-N
+rxn:4:173656:222468,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccc4cc(NC(=O)OC(C)(C)C)ccc4c3)cc1)C2=O,WVIOTMHYSKHYNC-UHFFFAOYSA-N
+rxn:4:173656:224967,CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cc(C(=O)OC)cc(C(C)(C)C)c3)cc1)C2=O,ORMIVDLGXJSATK-UHFFFAOYSA-N
+rxn:4:173666:222697,COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc(-c4ccc(Cl)c(C(=O)N5CCC(O)CC5)c4)cc3F)cc2oc1=O,LHBXPASTJFULFZ-UHFFFAOYSA-N
+rxn:4:173685:224842,CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c1)C2=O,QNRGLUOCGDKHIY-UHFFFAOYSA-N
+rxn:4:173686:224175,COc1ccc(C(=O)OCC(C)(C)C)c(-c2ccc(-c3c(C)oc4cc(OCC(=O)OC(C)C)ccc4c3=O)cc2)c1,HCGOFCPXQJQLIE-UHFFFAOYSA-N
+rxn:4:173688:222684,CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc(OCCN3CCNCC3)c(Cl)c1)C2=O,HXCZJJXSCXERBA-UHFFFAOYSA-N
+rxn:4:173688:223698,CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c1)C2=O,VBSJTGIHURYWPX-UHFFFAOYSA-N
+rxn:4:173811:223076,O=S(=O)(NC1CC1)c1cccc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c(C(F)(F)F)c2)c1,LEYZHGNDCMCCGG-UHFFFAOYSA-N
+rxn:4:173935:223810,CCOC(=O)C(F)(F)c1ccc(-c2cc(C)c(S(=O)(=O)N3CCC(C)CC3)c(C)c2)cc1C(F)(F)F,CMUBJAITVUWETL-UHFFFAOYSA-N
+rxn:4:174063:223995,CCOC(OCC)c1c(F)cc(-c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1F,VLAYCLBQDBBVSI-UHFFFAOYSA-N
+rxn:4:174166:224371,COC(=O)c1cc(C(C)C)cc(-c2cnc(N3CCC(C(=O)OC)CC3)nc2)c1OC(F)F,BTCCEBRRKJAZRY-UHFFFAOYSA-N
+rxn:4:174267:223533,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3OCC3CCCC3)c(F)c2)CC1,IVZNLURNULCOGP-UHFFFAOYSA-N
+rxn:4:174406:224847,COC(=O)C1(c2ccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)cc2)CC(OC)(OC)C1,MHXKSSREPOCJBP-UHFFFAOYSA-N
+rxn:4:174406:224865,COC(=O)C1(c2ccc(-c3ccc(CCN4CCCCC4)cc3)cc2)CC(OC)(OC)C1,IARCZYXXKMBHDR-UHFFFAOYSA-N
+rxn:4:174406:224880,COC(=O)C1(c2ccc(-c3ccccc3CN3CCCCCC3)cc2)CC(OC)(OC)C1,NCMSKBSKDVCJIO-UHFFFAOYSA-N
+rxn:4:174407:224022,COC(=O)C1(c2cccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2)CC(OC)(OC)C1,IKYFBYHUMWGNEF-UHFFFAOYSA-N
+rxn:4:174429:223844,CC(C)(C)OC(=O)C(C)(C)Oc1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)c1,OUKHWIWCWOIXSI-UHFFFAOYSA-N
+rxn:4:174504:223562,COc1ccc(-c2ccc(CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1S(=O)(=O)Oc1ccc(C(C)C)c(C)c1,OTEQZNLBHSANMI-UHFFFAOYSA-N
+rxn:4:174528:222638,COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1-c1cccc(C(C)NC(=O)OC(C)(C)C)c1,DIDMUYSFMGHYJP-UHFFFAOYSA-N
+rxn:4:174536:223559,CCOC(=O)COc1ccc2cc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)ccc2c1,BLWXIINUQKPVRC-UHFFFAOYSA-N
+rxn:4:174573:222754,COC(=O)COc1ccc2c(c1)OC(=Cc1cccc(-c3cc(OC)ccc3C(=O)NC(C)(C)C)c1)C2=O,WRMQBIVWPUVWDX-UHFFFAOYSA-N
+rxn:4:174593:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc4oc(C)c(C(=O)OC)c4cc3OC(=O)C(C)(C)C)cc2)CC1,IORDJQRDMOYNOL-MEMLXQNLSA-N
+rxn:4:174603:222906,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3cnccc3NC(=O)OC(C)(C)C)cc1)C2=O,VEIAKIRKCNDSHH-UHFFFAOYSA-N
+rxn:4:174604:222836,COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccccc1-c1ccc(NC(=O)CC(C)(C)C)cc1)C2=O,IFEKVTVUCZOGFL-UHFFFAOYSA-N
+rxn:4:174649:225498,COc1ccc(-c2cc(C3CCCCC3)ccc2F)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O,JBRCKIYOZKTMOW-UHFFFAOYSA-N
+rxn:4:175193:223539,COC(=O)C1(Oc2ccccc2-c2ccc(OC)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)CC1,CIVSQPLZBOZSNR-UHFFFAOYSA-N
+rxn:4:175259:222465,COc1cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c(F)cc1OCC1CC1,GXDQGBIVODDIFC-UHFFFAOYSA-N
+rxn:4:175428:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cc(S(C)(=O)=O)ccc1OCC1CC1,LJZWUKSXJZNZEN-UHFFFAOYSA-N
+rxn:4:175667:223608,COc1cc(S(=O)(=O)Oc2ccccc2Cl)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,BDCNFFFTKXYPLI-UHFFFAOYSA-N
+rxn:4:176018:222775,COc1cc(-c2ccc(CN3CCC(O)CC3)c(F)c2)c(F)cc1OCC1CCCCC1,LUYSQNFTOXKKGK-UHFFFAOYSA-N
+rxn:4:176018:224552,COc1cc(-c2cc(F)cc(COC3CCCCC3)c2)c(F)cc1OCC1CCCCC1,OLHSXFXVORKZLV-UHFFFAOYSA-N
+rxn:4:176038:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cccc(C(=O)CCc4c(C)cccc4C)c3)cc21,PAGMNNIRWKVXCB-UHFFFAOYSA-N
+rxn:4:176207:222538,COC(=O)CC[C@H]1CCc2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)ccc2O1,GTXNKSUPIXBZKY-XMMPIXPASA-N
+rxn:4:176294:224847,CC(C)(C)C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(-c3cc(C(C)(C)C)ccc3C(C)(C)C)c1)C2=O,BBJPNUNSQFPZIP-UHFFFAOYSA-N
+rxn:4:176313:222904,CC1Oc2ccccc2C=C1C=C1Oc2cc(OCc3ccc(-c4ccc(NC(=O)OC(C)(C)C)nc4)cc3)ccc2C1=O,NMJSDZHAFVQVIK-UHFFFAOYSA-N
+rxn:4:176700:223520,COC(=O)c1cc(-c2ccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc(C(F)(F)F)c1,SYOQEZXHAUXIMU-UHFFFAOYSA-N
+rxn:4:176717:222603,COC(=O)c1c(-c2cc(OC)c(NC(=O)OC(C)(C)C)cc2Cl)cc(Cl)cc1C(F)(F)F,IKGVEQGAIWPXTF-UHFFFAOYSA-N
+rxn:4:177743:223648,CC(C)(C)OC(=O)c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(F)c1,RLYWEJQYLKBDIW-UHFFFAOYSA-N
+rxn:4:177853:223754,CC1CCN(CCCOc2ccc(-c3cc(OC(C)(C)C)cc(C(F)(F)F)c3)cc2Cl)CC1,ZTVSYYJAZXHQFV-UHFFFAOYSA-N
+rxn:4:178381:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c1,MUUBVMLDTMNRTB-UHFFFAOYSA-N
+rxn:4:178384:225647,Cc1cnn(-c2ccc(-c3c(C4CCCCC4)cc(C4CCCCC4)cc3C3CCCCC3)c(C)c2)c1,FXWGKSOPMUOFAJ-UHFFFAOYSA-N
+rxn:4:178384:226288,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1OC(C)C,MKEOOYPIKTZYMZ-UHFFFAOYSA-N
+rxn:4:178384:227110,Cc1cc(Cl)c(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1C1CC1,RKOIFNOZBRVOMW-UHFFFAOYSA-N
+rxn:4:178384:228184,COc1ccc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1SC,LBUJAPOJGPWDEI-UHFFFAOYSA-N
+rxn:4:178384:228843,Cc1cc(F)cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c1Cl,OBLQJFSRJZOFQQ-UHFFFAOYSA-N
+rxn:4:178384:228924,COc1cc(-c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(Cl)n1,DONIEJWVLKPTFF-UHFFFAOYSA-N
+rxn:4:178473:223813,CCOC(=O)c1c(-c2ccc(CN3CCC4(CC3)OCCO4)c(F)c2)sc2c1CCCC2,KBLPOKUARLSTFS-UHFFFAOYSA-N
+rxn:4:178597:228117,CC(C)Oc1cncc(-c2ccc(OC(=O)C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)cc2)c1,DZSMGMANUJMDGG-UHFFFAOYSA-N
+rxn:4:180037:223840,COc1ccc(-c2c(C)cc(C(F)(F)F)cc2C2CC2)cc1S(=O)(=O)N1CCN(C)CC1,UCVURDYFYFNKDU-UHFFFAOYSA-N
+rxn:4:180532:222523,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(F)(F)F)c1,HAENFOMQQJSTDA-UHFFFAOYSA-N
+rxn:4:180772:222543,CCC1(CC)CCc2cc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)ccc2C1=O,DSGJUXXSYUJSBT-UHFFFAOYSA-N
+rxn:4:180772:223712,CCC1(CC)CCc2cc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2C1=O,KATGCQYMGPDWPO-UHFFFAOYSA-N
+rxn:4:180792:223582,CCOC1CCC2(CC1)Cc1ccc(-c3cc4ccc(C(=O)OC)cc4n3C(=O)OC(C)(C)C)cc1C2=O,PFRTWCBBEOBQQA-UHFFFAOYSA-N
+rxn:4:180792:224190,CCOC1CCC2(CC1)Cc1ccc(-c3ccc(OC)c(O[Si](C)(C)C(C)(C)C)c3)cc1C2=O,IWZQHPQJYRUENB-UHFFFAOYSA-N
+rxn:4:180855:223948,COC(=O)c1cc(C(=O)OC(C)(C)C)cc(-c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c1,PKSYHSJHYFQZJL-UHFFFAOYSA-N
+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:4:181922:222511,C[Si](C)(C)c1c(F)c(F)c(-c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)c(F)c1F,GUORNVGPQBNCDW-UHFFFAOYSA-N
+rxn:4:182093:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cccc(C3(C)CCC(=O)CC3)c2)c1,IZTJJTRXVFRQAV-UHFFFAOYSA-N
+rxn:4:182354:223812,COc1ccc(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c2c1OC1(CCCC1)C2,OCIIAYPSZBFELA-UHFFFAOYSA-N
+rxn:4:182372:223945,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cc1C2=O,ZBXOBBUKBSSKBN-UEZMCPDZSA-N
+rxn:4:182372:224170,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)cc1C2=O,OGVFQZKCJMQECO-UEZMCPDZSA-N
+rxn:4:182376:222776,CO[C@H]1[C@H](C)C[C@@]2(Cc3ccc(-c4ccc(CN5CCC(O)CC5)cc4F)cc3C2=O)C[C@@H]1C,ZKXURUNOVXCLEW-UBHXRJOGSA-N
+rxn:4:183265:222585,O=C(NCCN1CCOCC1)c1ccccc1-c1ccc2c(c1)C(=O)C1(CCC(F)(F)CC1)C2,PTUKZONZTRGGAN-UHFFFAOYSA-N
+rxn:4:183272:227540,COc1c(F)cc(SC)cc1-c1ccc2c(c1)OCCOCCOCCOCCOCCO2,OBBLOYUHQBBIOM-UHFFFAOYSA-N
+rxn:4:183379:225498,CC1(C)C=Cc2c3c(cc(-c4cc(C5CCCCC5)ccc4F)c2O1)C(=O)OC(C)(C)O3,IMPIRSCZLCBHPB-UHFFFAOYSA-N
+rxn:4:183547:223776,COCCCOc1cc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cnc1OC,BEDXCGJZUGPSKU-UHFFFAOYSA-N
+rxn:4:183668:222899,CCCCNS(=O)(=O)c1ccc(-c2ccc(C(=O)C(C#N)C(=O)OC(C)(C)C)cc2)cc1,YCIIREBTHVKIHB-UHFFFAOYSA-N
+rxn:4:183722:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cccc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c1,SXXCGRFJFLNEBA-UHFFFAOYSA-N
+rxn:4:183746:224420,COC(=O)CSC1CCN(C(=O)c2ccccc2-c2cc3c(cc2C)C(C)(C)CCC3(C)C)C1,AATUUSZMJBEXNE-UHFFFAOYSA-N
+rxn:4:183750:226097,FC(F)(F)Oc1ccc(OCCN2CCOCC2)c(-c2ccc(COCC3CC3)cc2)c1,QJRIWVXIZWBAEY-UHFFFAOYSA-N
+rxn:4:183799:224485,COC(=O)c1cc(OCCN2CCOCC2)cc(-c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)c1,CQRITTFFDZVTBQ-UHFFFAOYSA-N
+rxn:4:183839:223936,COC(=O)C1CCCCN1C(=O)COc1ccc(-c2cc3c(F)cccc3n2C(=O)OC(C)(C)C)cc1,FMSRCDBJEDNCHC-UHFFFAOYSA-N
+rxn:4:183873:225257,CCOC(=O)COc1cc(F)cc(-c2cc(OCCN3CCCCC3)cc(C(=O)OC)c2)c1,QUGUUZBAZMPNTO-UHFFFAOYSA-N
+rxn:4:183900:225555,CC(C)N(Cc1ccc(F)cc1-c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C,WPAURDVEXAVDNN-UHFFFAOYSA-N
+rxn:4:183911:226246,CCCCOc1cccc(-c2ccc(OC(F)(F)F)cc2OCCN2CCCCC2C)c1F,NSKONYOIZZJUTR-UHFFFAOYSA-N
+rxn:4:183913:224366,CC1CCCCN1CCOc1ccc(OC(F)(F)F)cc1-c1ccc(OC(F)(F)F)c(OCC2CC2)c1,SMCLEHGFBINEME-UHFFFAOYSA-N
+rxn:4:183985:223107,COc1ncc(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C#N)cc1NS(C)(=O)=O,IKHQDPLCMYPCTH-UHFFFAOYSA-N
+rxn:4:184041:224100,CC1CCN(CCOc2ccccc2-c2cccc(C(=O)N3CCC(COCc4ccc(F)cc4)CC3)c2)CC1,NEJRDTQLPQWPPR-UHFFFAOYSA-N
+rxn:4:184081:222720,COc1cc(C=C2N=C(c3ccccc3Cl)OC2=O)ccc1OCc1ccccc1-c1ccc(N2CCNCC2)cc1C(F)(F)F,QJLPGMYXZLQARB-UHFFFAOYSA-N
+rxn:4:184097:223831,COc1ccc(-c2ccc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)C3CCS(=O)(=O)C3)cc2)cc1S(=O)(=O)N1CCC(C)CC1,NYATTYDCCSWIAO-UHFFFAOYSA-N
+rxn:4:184125:224081,CC(C)(C)[Si](C)(C)OCCc1ccccc1-c1cc(OCCCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1,KPAKPVHTJUUIBK-UHFFFAOYSA-N
+rxn:4:184132:224426,COC(=O)c1cc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc2c1ccn2CC(=O)OC(C)(C)C,DUDMZXLEXBMOGA-UHFFFAOYSA-N
+rxn:4:184132:224878,COC(=O)c1cc(-c2ccccc2COC2CCCCC2)cc2c1ccn2CC(=O)OC(C)(C)C,XRMAJBJZQJJCNE-UHFFFAOYSA-N
+rxn:4:184181:222834,CCC(CC)NC(=O)c1ccc(-c2ccc(CN(C(=O)OC(C)(C)C)C(C)C)c3ccccc23)cc1,MMIIRKOMLJBBLN-UHFFFAOYSA-N
+rxn:4:184211:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc(-c4cc(C(=O)OC(C)C(=O)c5ccccc5)c5cccc(C)c5n4)cc3)cc21,JYQQLBCZFCOFRQ-UHFFFAOYSA-N
+rxn:4:184230:224082,CCCCC(CC)CN1C(=O)c2cccc3c(-c4cccc(C(CC)C(=O)OC(C)(C)C)c4)ccc(c23)C1=O,XKJPUMRVOGZENG-UHFFFAOYSA-N
+rxn:4:184375:222606,CCOC(=O)Cc1cc(-c2cccc(C(F)(F)F)c2C(=O)NC(C)(C)C)c(C#N)cc1F,CTFBRNPJBBGSPW-UHFFFAOYSA-N
+rxn:4:184745:225128,COC(=O)C1(c2ccc(F)c(-c3ccc(C(=O)N4CCC4(F)F)c(OCC(F)F)c3)c2)CC1,MREZDFKQVGWLPJ-UHFFFAOYSA-N
+rxn:4:184913:224650,COC(=O)C1CN(Cc2ccc(-c3cc(F)ccc3OCC3CCOCC3)cc2OC)C1,MVIVEVLNUCQEGA-UHFFFAOYSA-N
+rxn:4:185023:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc([N+](=O)[O-])ccc1OCCC1CCCCC1,OCCTXLVLRUZKTE-UHFFFAOYSA-N
+rxn:4:185023:223974,CC1CCN(c2ccc(-c3cc([N+](=O)[O-])ccc3OCCC3CCCCC3)c(C(F)(F)F)c2)CC1,NJUACMVLCZSVFV-UHFFFAOYSA-N
+rxn:4:185047:225722,CN(C)CCOc1cc(-c2cccc(CN3CCCCC3)c2OCC(F)(F)F)ccc1Cl,KWEYGUDOCAEBCE-UHFFFAOYSA-N
+rxn:4:185061:226844,O=C(c1cc(-c2cc(Cl)cc(F)c2OCCN2CCCC(C(F)(F)F)C2)ccn1)C(F)(F)F,NJABMUWYHSMJIQ-UHFFFAOYSA-N
+rxn:4:185094:224420,COc1ccc(C(=O)N(C(C)C)C(C)C)c(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1,YWKNIBMBNOIKAZ-UHFFFAOYSA-N
+rxn:4:185134:222511,COC(=O)C1CCN(CCc2ccc(-c3cc(C(=O)NC4CCCCC4)cc([N+](=O)[O-])c3)cc2)CC1,ALRWGGVQBNXLOY-UHFFFAOYSA-N
+rxn:4:185159:226844,COC(=O)c1cc(CN2CCCC(C(F)(F)F)C2)cc(-c2ccnc(C(=O)C(F)(F)F)c2)c1,RUQDGXVYMJAHKY-UHFFFAOYSA-N
+rxn:4:185198:225613,COC(=O)c1cc(-c2ccnc(OC3CCCCC3)c2)ccc1CN1CCC(OC)CC1,ZIMLHZVDTWABGD-UHFFFAOYSA-N
+rxn:4:185229:222855,COc1cc(-c2ccccc2S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)C2)cc(C2CCCNC2)c1,FMUSUGLMGNOLDZ-UHFFFAOYSA-N
+rxn:4:185235:224283,COc1cc(C=C2N=C(c3ccc(-c4cnc(OC(C)(C)C)nc4OC(C)(C)C)cc3)OC2=O)ccc1OC(C)=O,WIECKXDNWWJLKI-UHFFFAOYSA-N
+rxn:4:185252:223844,O=C(c1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)ccc1OCc1ccccc1)N1CCOCC1,XBSZYTZNHJCZQG-UHFFFAOYSA-N
+rxn:4:185354:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,CUBDUBDQIQEFCW-UHFFFAOYSA-N
+rxn:4:185357:226237,CN(C)CCOc1ccccc1-c1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1,KAWSTUOSMLACMB-UHFFFAOYSA-N
+rxn:4:185370:223042,CC(C)NC(=O)c1ccc(-c2ccc(C(=O)OC(C)CN3C(C)CCCC3C)cc2)cc1Cl,RVEIIFZGYIABQB-UHFFFAOYSA-N
+rxn:4:185386:225530,CCN(CC)Cc1ccc(F)cc1-c1cc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1C(F)(F)F,RWDTZLMPNWABEE-UHFFFAOYSA-N
+rxn:4:185398:224078,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cccc3c2ccn3[Si](C)(C)C(C)(C)C)c1,QBPHTDNSUDSTHT-UHFFFAOYSA-N
+rxn:4:185398:224269,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cn(C(=O)OC(C)(C)C)c3cnccc23)c1,HGWACNOELKKHKA-UHFFFAOYSA-N
+rxn:4:185398:225109,COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cccc(-c2cccc(OC(=O)OC(C)(C)C)c2)c1,GQZWBJZHDSWFDL-UHFFFAOYSA-N
+rxn:4:185442:226078,COc1cc2ccccc2cc1-c1cc(C2COC2)cc(C2CCN(C(=O)OC(C)(C)C)CC2C)c1,QNFPZTDRQCLCAL-UHFFFAOYSA-N
+rxn:4:185448:229156,CC(C)(C)OC(=O)N1CCC(c2cc(-c3cncc(C#N)n3)cc(C3CCOCC3)c2)CC1,VEZSPBMPIJJHLO-UHFFFAOYSA-N
+rxn:4:185491:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2c(OC)ccc3cc(C(=O)C(C)C=NOC)ccc23)c1,UXDCCUKBAKWZCZ-UHFFFAOYSA-N
+rxn:4:185503:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2ccc3c(ccn3COCC[Si](C)(C)C)c2)c1,DYTHVMCDRVZRQI-UHFFFAOYSA-N
+rxn:4:185511:225395,COC(=O)c1cc(-c2cc(C3CC3)cc(C(C)(C)C)c2)c2c(c1)N(C(=O)OC(C)(C)C)CC2,YSTDDRVUOFEVME-UHFFFAOYSA-N
+rxn:4:186295:223994,CON(C)C(=O)c1ccc(C(F)(F)F)c(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1,SSTQQRZYFJCYDZ-UHFFFAOYSA-N
+rxn:4:186691:222514,COc1ccc(-c2ccc(S(=O)(=O)N(C)CC3CC3)cc2)cc1S(=O)(=O)NC1CCCCC1,TYOWMBVQXGZULV-UHFFFAOYSA-N
+rxn:4:186722:222828,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)c(C(=O)N2CC(C(F)F)C2)c1,BVBCWHATLPBEKL-UHFFFAOYSA-N
+rxn:4:186819:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2CCCC2)c(OC(F)(F)F)c1,NBQNJQUESKXTLX-UHFFFAOYSA-N
+rxn:4:186874:223895,CCN1CCN(CCOc2ccc(-c3ccc(OCCN4CCOCC4)cc3F)cc2)CC1,QUKMQKICRYQHRY-UHFFFAOYSA-N
+rxn:4:186941:224008,O=C(CCc1ccc(-c2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2)cc1)N1CCOCC1,BSOBAYPUPCXSEO-UHFFFAOYSA-N
+rxn:4:187007:224616,COC(=O)c1cc(CN2CCC(F)(F)C2)cc(-c2ccccc2OCCN2CCOCC2)c1,RLHAHSMQFGNEHP-UHFFFAOYSA-N
+rxn:4:187008:224775,COC(=O)c1ccc(-c2cnc(C(F)(F)F)c(C3CCCC3)c2)c(CN2CCC(F)(F)C2)c1,CDFNOAWTBIRSGZ-UHFFFAOYSA-N
+rxn:4:187153:225912,CCCOc1c(F)cc(F)c(-c2ccc(S(=O)(=O)CC(=O)N3CCCC(F)(F)C3)cc2)c1F,VDEPKWRGROHQML-UHFFFAOYSA-N
+rxn:4:187176:224458,Cc1cc(-c2ccc(C(C)N3CCC(C)CC3)cc2)ccc1OCC(=O)N1CCCCC1,NISVJKCRROZRCK-UHFFFAOYSA-N
+rxn:4:187187:224590,COC(=O)c1cc(-c2ccc(CN3CCC(C)CC3)cc2F)ccc1CN1CCCCC1,ZRNNSGSJAIBEQY-UHFFFAOYSA-N
+rxn:4:187192:222776,COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1,TVGIRDRYUWEYBV-BVZFJXPGSA-N
+rxn:4:187210:224247,COC(=O)C1CCN(Cc2cc(F)ccc2-c2ccc(C(=O)N3CCC(C)CC3)cc2F)CC1,ONFGZSNSCKOLJZ-UHFFFAOYSA-N
+rxn:4:187303:224336,COC1CCN(CCc2cc(F)ccc2-c2ccc(N3CCCCC3)cc2C(F)(F)F)CC1,SJISKAMAAMQUPY-UHFFFAOYSA-N
+rxn:4:187304:224569,COC1CCN(CCc2cc(-c3cc(F)cc(OCC4CCCCC4)c3)ccc2F)CC1,YDPNFSXEJVSDSW-UHFFFAOYSA-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:4:187349:224704,CC1CCN(c2cc(-c3ccccc3S(=O)(=O)N3CC(S(=O)(=O)c4ccc(F)cc4)C3)cc(F)c2F)CC1,ITDQLMVUWOWXJO-UHFFFAOYSA-N
+rxn:4:187386:222933,CCOC(=O)C1ON=C(c2ccc(C)c(-c3cnc(NC(=O)OC(C)(C)C)nc3)c2)C1(C)C,LQCUAOAGCBLAGR-UHFFFAOYSA-N
+rxn:4:187396:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1ccc(OCc2ccc(Cl)cc2)c(C=C2SC(=S)N(C)C2=O)c1,CQAWBABIZSIJFI-UHFFFAOYSA-N
+rxn:4:187468:222573,O=C(NCC1CCCCC1)c1cc(F)cc(-c2ccc(C(=O)N3CCC(S(=O)(=O)c4ccc(F)cc4)CC3)o2)c1,ZQFYEBXPJVRXOY-UHFFFAOYSA-N
+rxn:4:187475:224588,CCC1CCCCN1c1ccc(-c2cc(F)cc(CN3CCC(C)CC3)c2)cc1COC,IQMTXEPUEPKCHX-UHFFFAOYSA-N
+rxn:4:187553:223141,CCOc1cc(-c2cncc(C3CCNCC3)c2)ccc1S(=O)(=O)N1CC(C)OC(C)C1,QQTWOTKJSLXVJY-UHFFFAOYSA-N
+rxn:4:187579:223753,Cc1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3C)co2)cc1OCCCN1CCN(C)CC1,ADYYSMAAWSFDRB-UHFFFAOYSA-N
+rxn:4:187593:223758,COc1cc(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)c(F)c2)cc(OC)c1OCc1ccccc1,NIWDCSWPXZNEJI-UHFFFAOYSA-N
+rxn:4:187625:222856,COc1ccc(C2CCNCC2)cc1-c1cccc(OC(C)C)c1CN1CCC(C)CC1,GZVXTYZWKXICMA-UHFFFAOYSA-N
+rxn:4:187641:222937,O=C(NCC(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)cc2)cc1,ZYTNDQNOZYBKCV-UHFFFAOYSA-N
+rxn:4:187644:226844,COc1cc(S(=O)(=O)N2CC(C)CC(C)C2)c(OC)cc1-c1ccnc(C(=O)C(F)(F)F)c1,WWWJNKWGTOQRQX-UHFFFAOYSA-N
+rxn:4:187659:223122,CC(C)C(=O)Nc1cccc(-c2ccc(C3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,BKWPMCRRCAECNB-UHFFFAOYSA-N
+rxn:4:187669:226061,CC(C)c1cc(-c2ccc(C3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)cc(C2CC2)c1,MXBNQOPJEIKGLX-UHFFFAOYSA-N
+rxn:4:187727:223687,CCCC(=O)Oc1c[nH]c2ccc(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)c(Cl)c12,BGLWSQDAJGSOCG-UHFFFAOYSA-N
+rxn:4:187883:223845,CCOc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCc2ccccc21,VBIIGEZRJPGLJF-UHFFFAOYSA-N
+rxn:4:187883:224018,CCOc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCc2ccccc21,PWMKVVWOHVXZMI-UHFFFAOYSA-N
+rxn:4:187912:223035,COc1ccc(-c2cccnc2NC(=O)C(C)(C)C)c2c1CCN(C(=O)OC(C)(C)C)C2,NANYHGSYTIBUEA-UHFFFAOYSA-N
+rxn:4:187924:224407,CCOc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-c1cccc(S(=O)(=O)N2CCC(F)(F)C2)c1,BVWPIPRSWUTSPK-UHFFFAOYSA-N
+rxn:4:187944:226981,CCCCCCc1ccsc1-c1ccc2c(c1)OCCCC2OCCN1CCOCC1,CTUSDXPADBCEQX-UHFFFAOYSA-N
+rxn:4:187985:224470,COCCOc1ccc2cc(-c3ccc(C45CCOCC4N(C(=O)OC(C)(C)C)CC5)cc3)ccc2c1,NELCZBMCVINZIJ-UHFFFAOYSA-N
+rxn:4:187995:224070,CCc1cc(-c2cncc(-c3ccc(C(C)(C)C)cc3)c2)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,ORBVVWFWFPVMJY-UHFFFAOYSA-N
+rxn:4:187995:227807,CCc1cc(-c2cccc3c2CCCC3)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,JVUJEKIJUIAVCK-UHFFFAOYSA-N
+rxn:4:188006:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(C#N)ccc1OCC12CC3CC(CC(C3)C1)C2,VZGMZCKQRDMSOW-UHFFFAOYSA-N
+rxn:4:188284:223636,COC(=O)c1c(-c2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)ccc(F)c1C#N,YNARGHSNYBLCHH-UHFFFAOYSA-N
+rxn:4:189122:222524,N#Cc1ccc(OC2CCOC2)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)c1,LOPOGYXLZUHIKT-UHFFFAOYSA-N
+rxn:4:189214:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cccc(C(=O)ON2C(=O)CCC2=O)c1F,GTDODNXOOUIBSM-UHFFFAOYSA-N
+rxn:4:189384:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cc(C(=O)N4CCC4)cc(C(F)(F)F)c3)cc2)CC1,QNOPXWVRXWWJCK-UHFFFAOYSA-N
+rxn:4:189421:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(OC(C)C)c(S(N)(=O)=O)c1,UYLFFYUIOBSNJR-UHFFFAOYSA-N
+rxn:4:189505:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC1,JXWCCXKQEHRNTL-UHFFFAOYSA-N
+rxn:4:189505:223835,Cc1cc(F)c(-c2ccc(C(F)(F)F)cc2S(=O)(=O)N2CCC2)cc1S(=O)(=O)N1CCC(C)CC1,LXNNVACFVTYTQS-UHFFFAOYSA-N
+rxn:4:189507:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,ZJZMSKZPRMSRDM-UHFFFAOYSA-N
+rxn:4:189507:224326,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC3)c2)ccc1S(=O)(=O)N1CCCCC1,APPJNFDDUVEGEI-UHFFFAOYSA-N
+rxn:4:189507:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC2)c1,DYBHRSKYQNAMHC-UHFFFAOYSA-N
+rxn:4:189507:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCC4)c3)c2)CC1,ZYSNZKOMWMAEPJ-UHFFFAOYSA-N
+rxn:4:189522:223687,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cncc(OCC4CCCC4)c3)cn2)CC1,RVSJIVRGIBIACO-UHFFFAOYSA-N
+rxn:4:189644:223786,CCN(C)S(=O)(=O)c1ccc(-c2ccc(OCCCN3CCN(C)CC3)c(Cl)c2)cc1C,WDUDNBPHKXIRRR-UHFFFAOYSA-N
+rxn:4:189702:224797,CCCCOc1c(F)c(F)c(-c2ccc(C(=O)N3CCC(S(C)(=O)=O)C3)o2)c(F)c1F,LMFWORKFPAPTPU-UHFFFAOYSA-N
+rxn:4:189866:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCC4)c3)c3ccccc23)CC1,KCHIMLKAYGWGOC-UHFFFAOYSA-N
+rxn:4:189866:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCC4)c3)cc2)CC1,XGBSMIXOQRQBRJ-UHFFFAOYSA-N
+rxn:4:189866:224319,Cc1cc(S(=O)(=O)N2CCCCC2)ccc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,RDOAOCBZBMUMOF-UHFFFAOYSA-N
+rxn:4:189866:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)N4CCCC4)c3)cc2)CC1,DUXQGAIMDHWFCG-UHFFFAOYSA-N
+rxn:4:189866:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1,JRHVQVPBMKMFBH-UHFFFAOYSA-N
+rxn:4:189867:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)c3ccccc23)CC1,ACFCQHIOKYVXIV-UHFFFAOYSA-N
+rxn:4:189867:224771,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(F)(F)F)cc1S(=O)(=O)N1CCCC1,NWYRGYPVFOXNJZ-UHFFFAOYSA-N
+rxn:4:189885:225550,CCCCC(=O)c1ccc(-c2c(C(F)(F)F)ccc(F)c2C(=O)N2CCOCC2)cc1F,QOJDAKVJCQSOOG-UHFFFAOYSA-N
+rxn:4:189926:222621,CC(C)Cc1cc(-c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc(C2CCCNC2)n1,VFDIEZRXXXSLQP-UHFFFAOYSA-N
+rxn:4:189936:224018,COc1cc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)ccc1CN1CCC(F)(F)C1,JJJYCRGQUNVVLH-UHFFFAOYSA-N
+rxn:4:190003:222656,O=C(NC1CCCCC1)c1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2F)cc1F,OPGQZQJDXKLYCU-UHFFFAOYSA-N
+rxn:4:190058:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3cc(F)ccc3CC(=O)N3CCC(F)(F)CC3)cn2)CC1,FNKJDZRFLFZXBN-UHFFFAOYSA-N
+rxn:4:190147:222511,O=C(NC1CCCCC1)c1cc(-c2ccc(F)c(CCN3CCC(F)(F)CC3)c2)cc([N+](=O)[O-])c1,WCYWHGIBXGMWGL-UHFFFAOYSA-N
+rxn:4:190155:225162,COc1ccc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)cc1S(=O)(=O)N1CCC(=O)CC1,XOHXPIXZKQBSJB-UHFFFAOYSA-N
+rxn:4:190161:224458,COc1c(Cl)cc(C(=O)N2CCCC(F)(F)C2)cc1-c1ccc(C(C)N2CCC(C)CC2)cc1,XATRRVGWIVORQD-UHFFFAOYSA-N
+rxn:4:190165:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCCC2)c1,JSTWJUVQLDOVDE-UHFFFAOYSA-N
+rxn:4:190165:224770,Cc1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCCCC3)c2)cc(S(=O)(=O)N2CCCC2)c1,UTPNDNDPPVDPQV-UHFFFAOYSA-N
+rxn:4:190174:222872,COc1cc(C(=O)NC2CC2)ccc1-c1cc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(F)cc1F,AYYIHXZOVUAKPH-UHFFFAOYSA-N
+rxn:4:190186:223728,CCCCCC1CCC(c2ccc(-c3ccc(OC)cc3CN3CCCCC3)c(F)c2)CC1,HSGSISFPYZYXDP-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:4:190228:224396,Cc1cc(-c2ccc(C3CCCN3S(=O)(=O)C3CC3)cc2)ccc1S(=O)(=O)N1CCOCC1,MMSKCJGIGNLGAE-UHFFFAOYSA-N
+rxn:4:190247:223568,COc1cccc(C=C2N=C(c3ccc(-c4cnc5c(ccn5[Si](C(C)C)(C(C)C)C(C)C)c4Cl)cc3)OC2=O)c1,BNKNIPFGTONODB-UHFFFAOYSA-N
+rxn:4:190342:224180,CC(c1ccccc1-c1ccccc1OCCN1CCN(C)CC1)N1CCCC(C(F)(F)F)C1,JAXJCADGKJMHEY-UHFFFAOYSA-N
+rxn:4:190355:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C)CC2)c1,IIGXJSMFJSEBID-UHFFFAOYSA-N
+rxn:4:190361:224022,CCc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(N2CCC(OC)CC2)c1,FCXWTACLMXESEU-UHFFFAOYSA-N
+rxn:4:190390:223784,CCN1CCN(CCOc2ccc(-c3cc(OC)cc(C(=O)N4CCC5(CC4)CC5)c3)cc2F)CC1,AUKOTMIPNYCWGO-UHFFFAOYSA-N
+rxn:4:190393:223080,CC(C)NS(=O)(=O)c1ccc(-c2cc(F)ccc2N2CCCC(C(=O)C(C)C)C2=O)cc1,UTXZNYFEGVSIQT-UHFFFAOYSA-N
+rxn:4:190462:222855,COc1cc(-c2ccc(C3CCCN3CC3CCOCC3)cc2)cc(C2CCCNC2)c1,GDAVUPFCJIWAAH-UHFFFAOYSA-N
+rxn:4:190477:223799,COc1ccc(-c2ccc(C(F)(F)F)c(OCc3ccccc3)c2)c(C(=O)N2CC3(COC(C)(C)OC3)C2)c1,ZEFIFVUXQWQVSZ-UHFFFAOYSA-N
+rxn:4:190847:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2csc3c2CN(C(=O)OC(C)(C)C)CC3)cc1,HPDYECROHSXLPR-UHFFFAOYSA-N
+rxn:4:190865:222825,CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1-c1ccc2c(c1)C(=O)C(=O)N2CC(=O)C(C)(C)C,JFQIEYRMGLDGCQ-UHFFFAOYSA-N
+rxn:4:190870:224958,CC(C)(C)OC(=O)N1C(=O)COc2cc(-c3cccc(OCC4CCCCO4)c3)ccc21,XEXWHDHXRXXXPT-UHFFFAOYSA-N
+rxn:4:190897:224819,CSC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1,GJKDKNZJONTASQ-UHFFFAOYSA-N
+rxn:4:190926:222782,Cc1cc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3=O)cnc1NC(=O)OC(C)(C)C,UGSQTFDZEKPHEK-UHFFFAOYSA-N
+rxn:4:190972:225805,CC(c1ccc(-c2ccc(C(=O)N3C4CCC3CC(S(C)(=O)=O)C4)o2)s1)N1CCOCC1,HFBJOLKILDYRPA-UHFFFAOYSA-N
+rxn:4:190975:223078,CCNS(=O)(=O)c1ccc(-c2ccc3c(c2)C(F)(F)CCN3C(=O)OC(C)(C)C)c(C)c1,LAPAQAUSDUAPFX-UHFFFAOYSA-N
+rxn:4:191034:222782,Cc1cc(-c2ccc3c(c2)CCCN(C(=O)OC(C)(C)C)C3)cnc1NC(=O)OC(C)(C)C,YRNGHHZJPQSIFT-UHFFFAOYSA-N
+rxn:4:191053:223812,O=C(c1cc(=O)c2ccccc2o1)N1CCSC1c1ccc(F)c(-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)c1,ODUVQJQKZRKMBO-UHFFFAOYSA-N
+rxn:4:191062:224973,CN1CCN(Cc2cccc(-c3ccccc3S(=O)(=O)N3C4CCC3CC(S(C)(=O)=O)C4)c2)CC1,UZKDZJKNTCSGPW-UHFFFAOYSA-N
+rxn:4:191062:225452,CS(=O)(=O)C1CC2CCC(C1)N2S(=O)(=O)c1ccccc1-c1ccc(OC2C=CCCC2)cc1,SWOYQQKHSZKJGC-UHFFFAOYSA-N
+rxn:4:191072:226424,CC1CCCN(c2csc(-c3cc4c(s3)C3(CCN(C(=O)OC(C)(C)C)CC3)OC4)c2)C1,MLJDEYATNIILED-UHFFFAOYSA-N
+rxn:4:191089:222974,CC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)cc1,ZNSZQDJVVVKOMR-UHFFFAOYSA-N
+rxn:4:191091:224274,CC(C)(C)OC(=O)N1Cc2c(-c3cc4cnccc4n3C(=O)OC(C)(C)C)cccc2C(C)(C)C1,MUJJWRDGWWQXRB-UHFFFAOYSA-N
+rxn:4:191091:225390,CC(C)Cc1cc(-c2cccc3c2CN(C(=O)OC(C)(C)C)CC3(C)C)cc(C2CC2)c1,CSVUTDFBOHNOTO-UHFFFAOYSA-N
+rxn:4:191091:225507,COC(=O)C1CCc2cc(-c3cccc4c3CN(C(=O)OC(C)(C)C)CC4(C)C)ccc21,FWZIYAXLXSUBRB-UHFFFAOYSA-N
+rxn:4:191092:225721,CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C(C)(C)C3)cn1,IPJOOBBEFZIGGY-UHFFFAOYSA-N
+rxn:4:191103:224853,CC1(C)CCC(c2ccc(-c3ccc4c(c3)C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1,CYPAGFSMYVQRPI-UHFFFAOYSA-N
+rxn:4:191103:224969,Cc1cc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)OC(C)(C)C,SHSPLNZHMVGBGM-UHFFFAOYSA-N
+rxn:4:191103:226230,COCCOCc1ccc(-c2ccc3c(c2)C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)cc1,YMSQYNCMHSJMNQ-UHFFFAOYSA-N
+rxn:4:191105:223162,CNC(=O)c1ccc(OC)c(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,SWSXACNGKLXCKH-UHFFFAOYSA-N
+rxn:4:191105:226095,CCCCOc1cc(C)cc(-c2cccc3c2C2(C=C3)CCN(C(=O)OC(C)(C)C)CC2)c1,GIEAMJXNRLSFKP-UHFFFAOYSA-N
+rxn:4:191105:226946,CN1CCc2cc(-c3cccc4c3C3(C=C4)CCN(C(=O)OC(C)(C)C)CC3)ccc2C1,XEQZUNBKWFTZDW-UHFFFAOYSA-N
+rxn:4:191109:222428,COc1ccc(CNS(=O)(=O)c2c(C)cc(-c3ccc(OC)cc3C(=O)N3CCC4(CC(=O)c5ccccc5O4)C3)cc2C)cc1,CSUAKPAOUVPHHB-UHFFFAOYSA-N
+rxn:4:191117:226920,Cc1ccc(C(C)(C)C)cc1-c1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O,PXQPELZLUQQVGM-UHFFFAOYSA-N
+rxn:4:191120:228187,COCc1ccc(-c2cc3c(cc2F)CC2(CCN(C(=O)OC(C)(C)C)CC2)C3=O)c(Cl)c1,CRWWFUWBDUHASK-UHFFFAOYSA-N
+rxn:4:191123:226111,CC(C)(C)OCc1ccccc1-c1cccc2c1C1(CC2)CCN(C(=O)OC(C)(C)C)CC1,KHSJXVWQDSZTQR-UHFFFAOYSA-N
+rxn:4:191172:223183,CNS(=O)(=O)c1ccc(-c2ccc(C(=O)Oc3cc4c5c(c3)C(C)=CC(C)(C)N5C(=O)C4=O)cc2)c(C)c1,JDALWVARNQGINC-UHFFFAOYSA-N
+rxn:4:191173:225192,CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc(-c5cc(OC6CCCCC6)ncc5F)c4)cc1c32,ZFLOCQXLXHUZCE-UHFFFAOYSA-N
+rxn:4:191195:224464,CCc1ccc(-c2ccc(-c3cc4c(c5c3CCC5)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C4C)c(F)c2)cc1,DGFGPBGZBZXTKI-UHFFFAOYSA-N
+rxn:4:191195:227206,Cc1c(-c2cc3c(c4c2CCC4)N(C(=O)OC(C)(C)C)C(C)(C)C(=O)C3C)ccc2c1COC2=O,FWXMJCNDDZAVOK-UHFFFAOYSA-N
+rxn:4:191206:223906,COc1ccc(CSc2ccc(-c3cccc(C4C=C5c6cc(OC)c(OC)cc6CCN5C5=C4C(=O)CCC5)c3)cc2F)cc1,HWNWXBYIBGJMPW-UHFFFAOYSA-N
+rxn:4:191206:227103,COc1cc2c(cc1OC)C1=CC(c3cccc(-c4sccc4C4CCCCC4)c3)C3=C(CCCC3=O)N1CC2,XKBLSGIPVZEGDM-UHFFFAOYSA-N
+rxn:4:192597:223660,CN(C)c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1C(F)(F)F,LMQKTGWWDPJAEE-UHFFFAOYSA-N
+rxn:4:192621:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(CN3C(=O)C=CC3=O)cc2)CC1,SBZSAFGMNSXJNW-UHFFFAOYSA-N
+rxn:4:192968:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(C(F)(F)F)c3N3CCSC3)cc2)CC1,NXWHCNUPEFGVTO-UHFFFAOYSA-N
+rxn:4:192968:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2cccc(C(F)(F)F)c2N2CCSC2)CC1,BCCNLXBWUUWMKQ-UHFFFAOYSA-N
+rxn:4:192968:223985,COc1ccc(-c2cccc(C(F)(F)F)c2N2CCSC2)cc1S(=O)(=O)N1CCCCC1,VCZDRWHZDBJHMT-UHFFFAOYSA-N
+rxn:4:192968:223992,Cc1ccc(-c2cccc(C(F)(F)F)c2N2CCSC2)cc1S(=O)(=O)N1CCN(C)CC1,HIUKVJZYQLZUPF-UHFFFAOYSA-N
+rxn:4:192968:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cccc(C(F)(F)F)c1N1CCSC1,LPQNAWDRSAMYGF-UHFFFAOYSA-N
+rxn:4:192968:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(C(F)(F)F)c3N3CCSC3)c2)CC1,HPEZXDINMLCFIZ-UHFFFAOYSA-N
+rxn:4:192969:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(N4CCSC4)c3C(F)(F)F)cc2)CC1,IAUWQAKJRPENOM-UHFFFAOYSA-N
+rxn:4:192969:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3cccc(N4CCSC4)c3C(F)(F)F)cc2)CC1,CYXQGCUUYFWIQE-UHFFFAOYSA-N
+rxn:4:192969:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cccc(N4CCSC4)c3C(F)(F)F)c2)CC1,QWGWWJGQRBKEBX-UHFFFAOYSA-N
+rxn:4:192970:223970,Cc1ccc(-c2cc(N3CCSC3)ccc2C(F)(F)F)cc1S(=O)(=O)N1CCC(C)CC1,JQVZOABDNQASEQ-UHFFFAOYSA-N
+rxn:4:192971:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(N4CCSC4)c(C(F)(F)F)c3)cc2)CC1,UBEXSBGRCAFMBJ-UHFFFAOYSA-N
+rxn:4:192971:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(N3CCSC3)c(C(F)(F)F)c2)CC1,KTWZTHPSTOAONN-UHFFFAOYSA-N
+rxn:4:192972:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(F)(F)F)c(N3CCSC3)c2)CC1,PCMKQOCOBWLZQC-UHFFFAOYSA-N
+rxn:4:192972:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3ccc(C(F)(F)F)c(N4CCSC4)c3)c2)CC1,BSUJAZMEKYYNJQ-UHFFFAOYSA-N
+rxn:4:192972:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(C(F)(F)F)c(N4CCSC4)c3)cc2)CC1,JHCWZCFOPQHIHX-UHFFFAOYSA-N
+rxn:4:192972:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(C(F)(F)F)c(N3CCSC3)c2)CC1,QUCOZBHSVNTERD-UHFFFAOYSA-N
+rxn:4:192972:223992,Cc1ccc(-c2ccc(C(F)(F)F)c(N3CCSC3)c2)cc1S(=O)(=O)N1CCN(C)CC1,LWQRUDUUHSESTA-UHFFFAOYSA-N
+rxn:4:192972:223993,Cc1cc(-c2ccc(C(F)(F)F)c(N3CCSC3)c2)ccc1S(=O)(=O)N1CCN(C)CC1,DXOVZVXTIJVTPS-UHFFFAOYSA-N
+rxn:4:192972:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(C(F)(F)F)c(N2CCSC2)c1,RGESDOPYNSUZPC-UHFFFAOYSA-N
+rxn:4:193291:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCCS2(=O)=O)c(C(F)(F)F)c1,XFYFCIWYLHUYHV-UHFFFAOYSA-N
+rxn:4:193293:222826,O=S1(=O)CCCN1c1cc(-c2cccc(S(=O)(=O)N3CCNCC3)c2)cc(C(F)(F)F)c1,AXTLBTOZUYVRLA-UHFFFAOYSA-N
+rxn:4:193293:224818,O=S1(=O)CCCN1c1cc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cc(C(F)(F)F)c1,KOZGTECNBOFGCQ-UHFFFAOYSA-N
+rxn:4:193355:224017,O=S1(=O)CCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)c(C(F)(F)F)c1,MWTZKSBEONKDQO-UHFFFAOYSA-N
+rxn:4:193356:224017,O=S1(=O)CCCN1c1ccc(-c2cccc(S(=O)(=O)N3CCSCC3)c2)c(C(F)(F)F)c1,ALAURWWSYWLPPN-UHFFFAOYSA-N
+rxn:4:193378:222634,Fc1cc(-c2cc(C3CCOCC3)nc(C(F)(F)F)c2)ccc1OCCNC1CCCC1,JGNKLGVUBFRMNF-UHFFFAOYSA-N
+rxn:4:193386:222514,COc1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)c(F)c2)cc1S(=O)(=O)NC1CCCCC1,MTFCRTIEOJBNCP-UHFFFAOYSA-N
+rxn:4:193386:224017,O=S1(=O)CCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)c(F)c2)c(C(F)(F)F)c1,VUVPYIMWFKAMFE-UHFFFAOYSA-N
+rxn:4:193499:224349,O=C1CCN(S(=O)(=O)c2cccc(-c3ccc(N4CCCCC4)c(C(F)(F)F)c3)c2)CC1,AQLAOOBYGDOJPX-UHFFFAOYSA-N
+rxn:4:193503:223698,Cc1c(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,YIYXAWFKUNOPBP-UHFFFAOYSA-N
+rxn:4:193503:224364,Cc1c(-c2cc(OCC(C)C)cc(OC(F)(F)F)c2)ccc(S(C)(=O)=O)c1C1=NOCC1,BGMQTCMWLFEAJE-UHFFFAOYSA-N
+rxn:4:193503:224399,Cc1c(-c2ccc(N3CCOCC3)cc2C(F)(F)F)ccc(S(C)(=O)=O)c1C1=NOCC1,NOCRIWNNKZYXSK-UHFFFAOYSA-N
+rxn:4:193518:222389,CC1=CC(=O)C=CC1=NS(=O)(=O)c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,STSZSLKUKLBTQG-UHFFFAOYSA-N
+rxn:4:193631:223658,Cc1cc(S(=O)(=O)N2CCC(F)(F)C2)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12,VQBJPNAVRMWUQB-UHFFFAOYSA-N
+rxn:4:193797:222389,CC1CCN(Cc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)CC1,BRZVDDZWJNEERF-UHFFFAOYSA-N
+rxn:4:193845:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc(C4CCN(S(C)(=O)=O)CC4)cc3)cnc21,ULIWOBXMONPVFO-UHFFFAOYSA-N
+rxn:4:193850:222675,CCc1cc(-c2ccc(NC(=O)OC(C)(C)C)c(OC)c2)cc(N2CCC(F)(F)CC2)c1,NIEMPQABPJSCDZ-UHFFFAOYSA-N
+rxn:4:193879:224584,CC1CCN(C(=O)c2cccc(-c3cc(C(=O)N4CCC5(CC4)CC5)ccc3F)c2)CC1,BWNGAPJRAXYNER-UHFFFAOYSA-N
+rxn:4:193886:225890,Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)ccc1-c1cnn(COCC[Si](C)(C)C)c1,YWEWSFWSVXMDFX-UHFFFAOYSA-N
+rxn:4:193992:222884,Cc1cc(C)c(S(=O)(=O)N2CCC(C)CC2)cc1-c1cc(F)cc(C(=O)NC(C)(C)C)c1,DDSXPSZGELYOPR-UHFFFAOYSA-N
+rxn:4:194176:222524,C#CCN1C(=O)COc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc21,HKQCGEUSXACHDA-UHFFFAOYSA-N
+rxn:4:194230:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc3c(c2)CN(C(=O)C(F)(F)F)C3)CC1,ALJCIXDEERADFO-UHFFFAOYSA-N
+rxn:4:194292:223540,COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc2ccn(CC(F)(F)F)c(=O)c2c1,ILUYNBIPYNPRBL-UHFFFAOYSA-N
+rxn:4:194365:223728,CCCCCC1CCC(c2ccc(-c3cncc4c3CCC(C(=O)OC)C4=O)c(F)c2)CC1,XFJKOMKALMVYDT-UHFFFAOYSA-N
+rxn:4:194461:223918,COC(=O)C1(C)CCc2c(cncc2-c2cc(C(=O)N(C)C3CCCCC3)ccc2F)C1=O,YIPYTSPGEZJVQU-UHFFFAOYSA-N
+rxn:4:194575:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2S(=O)(=O)N2CCc3sc(Cl)cc3C2)CC1,QNZJYBZIWMHDQI-UHFFFAOYSA-N
+rxn:4:194575:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccccc2S(=O)(=O)N2CCc3sc(Cl)cc3C2)CC1,FHXVXQBXLWJWLI-UHFFFAOYSA-N
+rxn:4:194690:222524,O=S(=O)(c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1)N1CCOc2ccc(F)cc2C1,URWRJKDFAMAQCM-UHFFFAOYSA-N
+rxn:4:194690:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2CCOc3ccc(F)cc3C2)cc1,IWAYVRRENSLCLY-UHFFFAOYSA-N
+rxn:4:194690:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOc5ccc(F)cc5C4)cc3)cc2F)CC1,ORSDQNNUWYMQMH-UHFFFAOYSA-N
+rxn:4:194690:224015,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCOc4ccc(F)cc4C3)cc2)cc1S(=O)(=O)N1CCOCC1,TZBIZAMPTSAEBH-UHFFFAOYSA-N
+rxn:4:194702:224015,Cc1ccc(S(=O)(=O)N2CC(=O)c3cccc(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)c3C2)cc1,MHLDVPPEMLXTGP-UHFFFAOYSA-N
+rxn:4:194708:224421,CC(C)c1cc(C(C)C)c(-c2cccc3c2CCN(C(=O)C2CCOCC2)C3)c(C(C)C)c1,OKWODKFJLRTPHH-UHFFFAOYSA-N
+rxn:4:194720:222524,Cc1cc(S(=O)(=O)N2CCc3ccccc32)c(C)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1,PFVHQMQADXMXHT-UHFFFAOYSA-N
+rxn:4:194730:224490,COC1CCN(C2CCc3cc(-c4ccccc4OCCN4CCCCC4)ccc32)CC1,KFJLZEXAIKQKPO-UHFFFAOYSA-N
+rxn:4:194730:224621,COC1CCN(C2CCc3cc(-c4ccc(OCCN5CCSCC5)cc4)ccc32)CC1,FRVMDBGJEIEPGN-UHFFFAOYSA-N
+rxn:4:194750:222977,Cc1ccc(C(=O)NC2CC2)cc1-c1ccccc1S(=O)(=O)N1C2CCC1CC(=C1CC1)C2,FURJRVGZHKAAAP-UHFFFAOYSA-N
+rxn:4:194751:226844,CSCN1C(=O)CC2(CCOCC2)Oc2cc(-c3ccnc(C(=O)C(F)(F)F)c3)ccc21,QATUCILZUFHTBT-UHFFFAOYSA-N
+rxn:4:194753:224015,Cc1ccc(S(=O)(=O)N2CCC(=O)c3ccc(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)cc3C2)cc1,GFKARZRAZURYAK-UHFFFAOYSA-N
+rxn:4:194753:224018,Cc1ccc(S(=O)(=O)N2CCC(=O)c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)cc3C2)cc1,ZSJVBAPVJWXYSW-UHFFFAOYSA-N
+rxn:4:194760:222524,Cc1cc(C)c(S(=O)(=O)N2CCCc3ccccc32)cc1-c1cc(F)c(F)cc1S(=O)(=O)N1CCC(O)CC1,HCNXGMYBDBGYFH-UHFFFAOYSA-N
+rxn:4:194773:224179,CN1CCN(CCOc2ccc(-c3ccccc3S(=O)(=O)N3CCC4(CC3)OC(=O)c3ccccc34)cc2)CC1,OIXCXVDVQYMTEG-UHFFFAOYSA-N
+rxn:4:194781:222876,CC(C)(C)NC(=O)c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1F,MKCKWOGANFGGDM-UHFFFAOYSA-N
+rxn:4:197059:222823,CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(N3C(=O)CC4(CCCC4)C3=O)cc2)c(F)c1,WEMRYFYFZORZPC-UHFFFAOYSA-N
+rxn:4:197870:223522,CC(C)(C)N1C(=O)c2cc(-c3cc(F)cc(N4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3)ccc2S1(=O)=O,YMIIBGSCDBMXDM-UHFFFAOYSA-N
+rxn:4:197927:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4c(c3)N(C(C)C)C(=O)C4(C)C)cc21,CTBOJJBHUNTGMS-UHFFFAOYSA-N
+rxn:4:197936:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc2c(c1)CN(C(C)(C)C)C(=O)CO2,ZNBPAPDKYDUXCB-UHFFFAOYSA-N
+rxn:4:197969:223712,COc1ccc(-c2ccc3c(c2)C(N2CCCC(C)C2)CC3)cc1C12CC3CC(CC(C3)C1)C2,ZCOYJPYQSTZFJU-UHFFFAOYSA-N
+rxn:4:199438:223947,CCOC(=O)c1n[nH]c(C(=O)OCC)c1-c1ccc(N(CC)C(=O)OC(C)(C)C)cc1F,BFWAQQUZPSNFCL-UHFFFAOYSA-N
+rxn:4:199445:223772,CCOC(=O)Cc1c(C#N)ccc([N+](=O)[O-])c1-c1cc2ccc(OC)cc2n1C(=O)OC(C)(C)C,UXCRPSWFJYBEJY-UHFFFAOYSA-N
+rxn:4:199486:224960,CCOC(=O)Cn1nc(C(F)F)c(-c2ccc(OC)c(OC3CCCC3)c2)c1C1CC1,ZDLMEISFDSDYLM-UHFFFAOYSA-N
+rxn:4:199499:225263,COC(=O)c1cc(C(=O)OC)cc(-c2ccnc(N(CC(F)F)C(=O)OC(C)(C)C)c2)c1,URQJUCDEQBYESS-UHFFFAOYSA-N
+rxn:4:199547:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccnc(N(CC3CC3)C(=O)OC(C)(C)C)c2)cc1,LQAJKMQDFGQNRW-UHFFFAOYSA-N
+rxn:4:199620:223659,CC(=O)OC(C)(C)C(=O)N1CCC(Oc2ncccc2-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)C1,RKTYKOJLGGZOAQ-UHFFFAOYSA-N
+rxn:4:199662:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2ccc(OC3CCN(C(=O)Cc4ccc(C(F)(F)F)cc4)C3)nc2)CC1,ATJSVRGVYKVSNM-UHFFFAOYSA-N
+rxn:4:199713:227005,CCCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1-c1cccc(OCC2CC2)c1,LROCWDMHZSDGGH-UHFFFAOYSA-N
+rxn:4:199715:224616,CC(C)(C)OC(=O)N1CCCC(COc2ccc(-c3ccccc3OCCN3CCOCC3)cn2)C1,IGJFMJLRWCHXIW-UHFFFAOYSA-N
+rxn:4:199739:225277,COC(=O)c1c(OC)cc(-c2ccc(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1OC,YPJQXDREHAMFDO-UHFFFAOYSA-N
+rxn:4:199744:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2cccnc2OC2CCN(C(=O)C(C)Oc3ccccc3)CC2)cc1,PIPLWUKCVZSXDY-UHFFFAOYSA-N
+rxn:4:199757:227381,CN(Cc1ccc(-c2cnc(C3CCCC3)nc2)cc1N1CCCC1)C(=O)OC(C)(C)C,YHZPUAUYZFAJFB-UHFFFAOYSA-N
+rxn:4:199758:223184,C[Si](C)(C)CCOC(=O)N1CCN(c2ccc(-c3cnc(N4CCNCC4)nc3)cc2)CC1,QWOOTWRWQQSOSG-UHFFFAOYSA-N
+rxn:4:199786:226911,CCc1cc(C)cc(CC)c1-c1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC,GPCBFZHTOYLPSX-UHFFFAOYSA-N
+rxn:4:199791:222935,COc1ccc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,PTZDTNUCCXZABW-UHFFFAOYSA-N
+rxn:4:199831:222674,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2cccc(C(=O)NC3CCCCC3)c2F)ccc1F,NLZKFYPJYAJFSC-OAQYLSRUSA-N
+rxn:4:199831:225881,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCc1cc(-c2ccc(C3CCOCC3)nc2F)ccc1F,GYGQAUVDHBOCHT-LJQANCHMSA-N
+rxn:4:199842:225522,CCCCOc1cc(OC)cc(-c2ccc(C(F)(F)F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2C)c1,BQNHHORDHYOJJH-UHFFFAOYSA-N
+rxn:4:199871:224420,COc1ccc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,AONAKGLQDJBHGS-UHFFFAOYSA-N
+rxn:4:199873:223279,CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC2c2ccc(-c3cnc(C4CCCN4)nc3)cc2)CC1,GIVXWWQUHOCMPF-UHFFFAOYSA-N
+rxn:4:199874:222573,CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC2c2ccc(-c3cc(F)cc(C(=O)NCC4CCCCC4)c3)cc2)C1,HPCUZNQDHFVTBS-UHFFFAOYSA-N
+rxn:4:199879:226055,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(-c2ccc3c4c(cccc24)CC3)cc(C(C)(C)C)c1,CGGOILXRYVSGQS-JOCHJYFZSA-N
+rxn:4:199957:224597,COC(=O)CC1CCN(C(=O)Cn2ccc3ccc(-c4cc(C5CC5)cc(N5CCOCC5)c4)cc32)CC1,FAJCHGCSUWRVNJ-UHFFFAOYSA-N
+rxn:4:199960:225710,CCOC(=O)C1CCN(C(=O)Cn2ccc3cc(-c4cccnc4C(OCC)OCC)ccc32)CC1,RDFVACCKDNDLLJ-UHFFFAOYSA-N
+rxn:4:199961:225923,CCCCOC(=O)c1cc(N2CCOCC2)c2cc(-c3cnc(OC4CCCC4)nc3Cl)ccc2n1,ALRFLUVAWCGAGU-UHFFFAOYSA-N
+rxn:4:199965:226702,CCOCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cnc(-c5ccco5)c(Cl)c4)cc32)SC1=S,YBXKGDFEUAMBDO-UHFFFAOYSA-N
+rxn:4:199967:223137,COCCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2cncc(C3CCCNC3)c2)cc1,SSAZATLLQXJQSV-UHFFFAOYSA-N
+rxn:4:200022:225277,COC(=O)c1c(OC)cc(-c2ccc3c(c2)N(CC2CCN(C(=O)OCc4ccccc4)CC2)C(=O)CO3)cc1OC,KQEAYEXANQQDGW-UHFFFAOYSA-N
+rxn:4:200042:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc4c(c3)CCCN4C(=O)C(=O)c3cn(Cc4cccc(C(F)(F)F)c4)c4ccccc34)ccc21,RFILFSYLLRMVHZ-UHFFFAOYSA-N
+rxn:4:200043:224835,CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(-c3cc(C(F)(F)F)nn3S(=O)(=O)N(C)C)c3ccccc23)CC1,FWROOECJRMMCAU-UHFFFAOYSA-N
+rxn:4:200100:222714,CCOC(=O)c1cc(C#N)cc(-c2cc(NC(=O)OC(C)(C)C)cc(F)c2F)c1[N+](=O)[O-],WSZYKXFFJZKULQ-UHFFFAOYSA-N
+rxn:4:200113:223743,CCOC(=O)c1cc([N+](=O)[O-])c(C#N)cc1-c1ccc(C)c(OCCCN2CCC(C)CC2)c1,UWPPXNKKIBOMCK-UHFFFAOYSA-N
+rxn:4:200309:223845,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1,KBANQGSLTFSDKE-UHFFFAOYSA-N
+rxn:4:200309:224017,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)cc1,UMEIAMWDVOQPMP-UHFFFAOYSA-N
+rxn:4:200309:224378,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2cnc(N3CCCCC3)c(C(F)(F)F)c2)cc1,RAYHFIYZFZSGRB-UHFFFAOYSA-N
+rxn:4:200309:224780,CCS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(C3CCOC3)c(C(F)(F)F)c2)cc1,XQBXXZZMRCJLRJ-UHFFFAOYSA-N
+rxn:4:200319:223832,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1-c1ccc(C(=O)N2CCN=C2SCc2c(F)cccc2Cl)o1,KUBNIAQVIPXGJQ-UHFFFAOYSA-N
+rxn:4:200418:225087,CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2-c2ccc(OCCCN(C)C)c(F)c2)c(F)cc1Cl,XYBCHQFNPIZUHH-UHFFFAOYSA-N
+rxn:4:200423:224770,Cc1cc(-c2ccccc2S(=O)(=O)N2CC(Oc3ccnc(C(F)(F)F)c3)C2)cc(S(=O)(=O)N2CCCC2)c1,GPQKGSTZDQNDBP-UHFFFAOYSA-N
+rxn:4:200458:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4c(F)cccc4Cl)cc3)cc2)CC1,YHBSPOXTDYUXNV-UHFFFAOYSA-N
+rxn:4:200459:222967,CC(C)CNC(=O)c1cccc(-c2ccc(C(=O)CN3C(=O)C(=O)N(Cc4cccc(Cl)c4)C3=O)cc2)c1,VFXQICVLXOEDFG-UHFFFAOYSA-N
+rxn:4:200474:222584,CC(C)(C)OC(=O)N1CCC(Oc2nc(-c3ccc(OCCCN4CCNCC4)c(F)c3)cs2)CC1,UWRDBBXCUHNQQG-UHFFFAOYSA-N
+rxn:4:200481:224718,CC(C)(C)OC(=O)N1CC[C@H](Oc2ncccc2-c2ccc(OCCN3CCOCC3)nc2)C1,VBNUODGGHDHACZ-FQEVSTJZSA-N
+rxn:4:200535:223940,CC(C)(C)OC(=O)N1CCOc2cc(-c3cccnc3OC3CCN(S(=O)(=O)Cc4ccccc4)C3)ccc21,IBCZZFIQODQGCG-UHFFFAOYSA-N
+rxn:4:200566:223115,CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1-c1ccc(CCNC(C)=O)cc1,VUBTUNFFEMISNT-UHFFFAOYSA-N
+rxn:4:200602:225894,CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3cccc(COCC(F)(F)F)c3)cn2)CC1,CONDZIJMUQDMTA-UHFFFAOYSA-N
+rxn:4:200604:226844,CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cncc(-c3ccnc(C(=O)C(F)(F)F)c3)c2)C1,UOMKDNLPWLTHSL-MRXNPFEDSA-N
+rxn:4:200605:222537,Cc1nc(OC2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,WDTUYMQYEGYERK-UHFFFAOYSA-N
+rxn:4:200619:224378,Cc1cccc(CC(=O)N2CCC(Oc3ncccc3-c3cnc(N4CCCCC4)c(C(F)(F)F)c3)C2)c1,WJYUSHXUOVQCKZ-UHFFFAOYSA-N
+rxn:4:200621:224755,Cc1cnccc1OCC1CCN(C(=O)c2ccc(-c3cc(C(=O)N4CCOCC4)ccc3F)o2)CC1,FHDKTUXZESBKCW-UHFFFAOYSA-N
+rxn:4:200636:223559,COc1ccc(-c2ccc(=O)n(Cc3ccc(-c4ccc5c(c4)C(C)=CC(C)(C)N5C(=O)OC(C)(C)C)cc3F)n2)cc1OC,VTSYBJLJTMUZAS-UHFFFAOYSA-N
+rxn:4:200638:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccccc2C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1,SDUNSYKOXGYFSN-UHFFFAOYSA-N
+rxn:4:200653:224403,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(N4CCOCC4)c(C(F)(F)F)c3)cc2)C(=O)C1,OJKSJMAQOMWRME-UHFFFAOYSA-N
+rxn:4:200655:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)cc1,OCAFYNKRMFTPLT-UHFFFAOYSA-N
+rxn:4:200671:228470,O=C(CCc1ccccc1-c1cc([N+](=O)[O-])ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1,WPYFUUQIAGCDRQ-UHFFFAOYSA-N
+rxn:4:200698:223123,COC(=O)c1cc(-c2ccc(NC(=O)C(C)C)cc2)ccc1CN1CCN(C(C)C)CC1,YKAWCJHOPFDHOB-UHFFFAOYSA-N
+rxn:4:200705:222569,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)c2Cl)CC1,GDMDKEIXIWRZCB-UHFFFAOYSA-N
+rxn:4:200707:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2F)CC1,CZKUSCCSZPGQLR-UHFFFAOYSA-N
+rxn:4:200710:224756,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(-c3cc(F)ccc3C(=O)N3CCOCC3)c2)CC1,KLXZSKVNJOEJJY-UHFFFAOYSA-N
+rxn:4:200748:223998,CC1CCN(S(=O)(=O)c2ccc(-c3ccccc3-c3cccc(C(=O)N4CCN(CC(F)(F)F)CC4)c3)cc2F)CC1,WXBUJOCCROPRFJ-UHFFFAOYSA-N
+rxn:4:200767:224011,Cc1cc(OCC2CCCN(C(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(F)c4)cc3)C2)ccn1,FTJYSADTUAFEAK-UHFFFAOYSA-N
+rxn:4:200771:224393,Cc1cc(OCC2CCCN(C(=O)c3ccc(-c4cc(C(F)(F)F)ccc4N4CCOCC4)cc3F)C2)ccn1,WKFJAQLDJKOLDQ-UHFFFAOYSA-N
+rxn:4:200789:223093,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2cncc(NS(=O)(=O)C(C)C)c2)c(F)c1,HHMXGOPOEHQMLY-UHFFFAOYSA-N
+rxn:4:200804:223072,CCCNS(=O)(=O)c1ccc(-c2ccc(C3=NC(C)(C)N(C(=O)c4ccc(OC)c(OC)c4)C3=S)cc2)cc1,MWVYBWPTEVOKCE-UHFFFAOYSA-N
+rxn:4:200811:223140,CN1CCN(C(=O)COc2ccc(C(C)(C)C)cc2-c2ccnc(C3CCCNC3)c2)CC1,QEGSACYRLUCYMC-UHFFFAOYSA-N
+rxn:4:200841:224669,COC(=O)C1CCN(Cc2ccc(-c3ccc(CN4CCN(C)CC4)cc3F)cc2N2CCCC2)CC1,PRZDJIXFAVPKRQ-UHFFFAOYSA-N
+rxn:4:200853:227094,COC(=O)C1CCN(Cc2ccc(-c3cnccc3C3CCCC3)cc2N2CCOCC2)CC1,VPXCVTZQTXFNPQ-UHFFFAOYSA-N
+rxn:4:200854:228264,COC(=O)C1CCCN(Cc2ccc(-c3cc(OC)c(C)cc3Cl)cc2N2CCOCC2)C1,WDQMUMHIYSIBAS-UHFFFAOYSA-N
+rxn:4:200856:227265,CCOCc1cc(F)cc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2C)c1,PQXMEFNDJNTCRO-IBGZPJMESA-N
+rxn:4:200864:226487,COC(=O)COc1cccc(-c2cccc(CN3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)c2)c1,KYGCACSZCWMOGZ-VQTJNVASSA-N
+rxn:4:200866:228721,CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1cccc(-c2ccnn2C(C)(C)C)c1,HKCYDTQDQUJXJD-UHFFFAOYSA-N
+rxn:4:200879:226654,COc1ccc(-c2csc(N3CCC(C)CC3)n2)cc1CN1CCCC(C(=O)N2CCCCC2)C1,JRKYRLVDCFIWTG-UHFFFAOYSA-N
+rxn:4:200883:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1CN1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1,YHNBQJXWVXSMII-UHFFFAOYSA-N
+rxn:4:201012:222897,CCCCNS(=O)(=O)c1cccc(-c2ccc3c(C(C)(C)C#N)cn(C(=O)OC(C)(C)C)c3c2)c1,GASJIVGSIQWYDT-UHFFFAOYSA-N
+rxn:4:201142:224161,CCc1cc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cnc2n1[Si](C(C)C)(C(C)C)C(C)C,BMJMBPMLNYSMDP-UHFFFAOYSA-N
+rxn:4:201154:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4(C)CC(C)(C)N(C(=O)CSc5nc6ccccc6s5)c5ccccc54)cc3)c(F)ccc21,CBKPQPCWNSCAIX-UHFFFAOYSA-N
+rxn:4:201230:223669,CCOC(=O)c1cnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c(C#N)c1,VAWMCQFKJPTMTL-UHFFFAOYSA-N
+rxn:4:201521:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc([N+](=O)[O-])cc1CN(C)C1CC1,PZFNLTWBVPNMKX-UHFFFAOYSA-N
+rxn:4:201546:223608,CCOc1cc(S(=O)(=O)n2ccnc2)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,IOZZNGBZWHFTCI-UHFFFAOYSA-N
+rxn:4:201622:222828,CS(=O)(=O)N1CCN=C1SCc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)cc1,SCWUCQAYJKEITB-UHFFFAOYSA-N
+rxn:4:201622:223698,CS(=O)(=O)N1CCN=C1SCc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)cc1,KKXGDHPUIYMVHM-UHFFFAOYSA-N
+rxn:4:201683:222637,CC(C)c1nc(-c2ccc(C(C)NC(=O)OC(C)(C)C)cc2)cn1C(=O)OC(C)(C)C,IWKNBJOUVOJAEN-UHFFFAOYSA-N
+rxn:4:201733:224669,COC(=O)c1cc(-c2ccc(CN3CCN(C)CC3)cc2F)nn1CC1CCCCC1,CHRCPRFEYFNGEI-UHFFFAOYSA-N
+rxn:4:201774:223542,CN1CCN(S(=O)(=O)c2cc(-c3nc([C@@H]4CCCN4C(=O)OC(C)(C)C)cs3)ccc2OC(F)(F)F)CC1,AJMZPNBARPVXEE-SFHVURJKSA-N
+rxn:4:201804:224496,CCN1CCN(Cc2cccc(-c3cc(OC(F)F)cc(C(=O)N4CCN(C)CC4)c3)c2)CC1,RICPOBABJQOAPQ-UHFFFAOYSA-N
+rxn:4:201827:222465,CN1CCN(CCOc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)CC1,CJFWLDHLBJXXRU-UHFFFAOYSA-N
+rxn:4:201859:225889,C[Si](C)(C)CCOCn1nccc1-c1cnccc1OC1CCN(C(=O)C2CC(F)(F)C2)C1,YNRILXFJTBAJIF-UHFFFAOYSA-N
+rxn:4:201861:224290,COc1cc(N2CCCC(C(F)(F)F)C2)c(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1[N+](=O)[O-],TXZCZVFIVUMUDO-UHFFFAOYSA-N
+rxn:4:201925:223770,CC(C)(C)OC(=O)N1CCCC1c1cccc(-c2cc3c(C#N)cccc3n2C(=O)OC(C)(C)C)n1,ZXUKKBIMHQEKHJ-UHFFFAOYSA-N
+rxn:4:201977:222524,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1S(=O)(=O)N1CCN=C1c1ccccc1,BDGOKGSGOZZGRF-UHFFFAOYSA-N
+rxn:4:201977:224017,COc1ccc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)cc1S(=O)(=O)N1CCN=C1c1ccccc1,YYBYWFYMQCUDBZ-UHFFFAOYSA-N
+rxn:4:201999:224780,CC(C)(C)OC(=O)N1CCOCC1c1cccc(-c2ccc(C3CCOC3)c(C(F)(F)F)c2)n1,HQBYIDPMTWNPCI-UHFFFAOYSA-N
+rxn:4:202007:224409,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cc(OCC(F)(F)F)cc(C(F)(F)F)c1,YBCPHIOPGMHCAL-UHFFFAOYSA-N
+rxn:4:202007:224810,CCOc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N2CCCC2)c(C(F)(F)F)c1,SZQYCJOXDLWIQX-UHFFFAOYSA-N
+rxn:4:202095:226191,Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1cc(C2CCCC2)ccc1F,KWPPYEPPJUCWNI-UHFFFAOYSA-N
+rxn:4:202097:223098,CC(=O)NS(=O)(=O)c1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1,XRPKHCAIPJZHRF-UHFFFAOYSA-N
+rxn:4:202111:225984,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2)CC1,DFLVJHUPCVYIKN-UHFFFAOYSA-N
+rxn:4:202117:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cnccc1OC1CCN(CC2CCCCO2)C1,QSGVUYHYOYVUCM-UHFFFAOYSA-N
+rxn:4:202157:224810,O=C(c1cncc(-c2cnc(N3CCCC3)c(C(F)(F)F)c2)c1)N1CCC(S(=O)(=O)c2ccccc2)CC1,ZAXXVFOFFJGFGD-UHFFFAOYSA-N
+rxn:4:202175:226995,CC(C)CSc1ccc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)N3CCOCC3)cc2)cc1,HNXBLACJSCIPAF-UHFFFAOYSA-N
+rxn:4:202198:222442,O=C(C1CN(Cc2cccc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)c2)CCO1)N1CCSCC1,PGHCTXFSNWNQKN-UHFFFAOYSA-N
+rxn:4:202205:224679,COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(Cl)cc(C(=O)N5CCCCC5)c4)cc3)CC2)cc1,OXUOFHXAPWKTAF-UHFFFAOYSA-N
+rxn:4:202224:224371,COC(=O)C1CCN(c2ncc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4C)cn3)cn2)CC1,ZOBKOWOGDJEVSR-UHFFFAOYSA-N
+rxn:4:202266:223960,CCN1CCN(C(=O)c2cc(-c3ccc(CN4CCOC(C(=O)N5CCCCC5)C4)cc3)ccc2F)CC1,HEOJNYSYRUKWAZ-UHFFFAOYSA-N
+rxn:4:202277:223926,FC(F)(F)C1CCN(Cc2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)cc3)cc2N2CCCC2)CC1,YEFGISJGJKCPRT-UHFFFAOYSA-N
+rxn:4:202278:224679,CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cc(C(=O)N4CCCCC4)c3)cc2)CC1,CHQZDBQVXLMUGX-UHFFFAOYSA-N
+rxn:4:202284:222945,COc1ccc(-c2ccc(S(=O)(=O)NC(C)C)c(F)c2)cc1CN1CCC(N2CCCC2)CC1,FTAHQCYXUYQCFL-UHFFFAOYSA-N
+rxn:4:202303:225849,COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1cnc(N2CCCCC2)cc1F,UBXLZFFUVJZCNM-UHFFFAOYSA-N
+rxn:4:202313:223019,N#CCCNC(=O)c1cccc(-c2ccccc2CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c1,DZEMYRLMVPDWGY-UHFFFAOYSA-N
+rxn:4:202313:224683,O=C(c1cc(F)cc(-c2ccccc2CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c1)N1CCCCC1,MEQVKJCCSVBNEV-UHFFFAOYSA-N
+rxn:4:202328:223422,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(/C=N/O)cc3)CC2)CC1,YCEWHDDKCPCHBV-XIEYBQDHSA-N
+rxn:4:202328:223428,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(/C=N\O)cc3)CC2)CC1,YCEWHDDKCPCHBV-BWAHOGKJSA-N
+rxn:4:202328:228021,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cc(C)cc(C(C)=O)c3)CC2)CC1,JGMIIDAUHIVYQE-UHFFFAOYSA-N
+rxn:4:202328:228514,COC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3cccc(C4CC4)c3)CC2)CC1,ZDRUPKGOCPURPP-UHFFFAOYSA-N
+rxn:4:202352:222707,Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2-c2ccnc(CNC(=O)OC(C)(C)C)c2F)CC3)ccc1F,MINUZABOHDBFGX-UHFFFAOYSA-N
+rxn:4:202356:225408,Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C(C)C)cc1-c1cc2c3c(c1)CCCN3CCC2,LQHLCODWQVDQII-UHFFFAOYSA-N
+rxn:4:202386:223823,CCOC(=O)c1nc2cccc(C(F)(F)F)n2c1-c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1,MCHNFEPDUMIPHV-UHFFFAOYSA-N
+rxn:4:202462:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(C(=O)N4CC(Oc5nc6c(Cl)cccc6s5)C4)o3)cn2)CC1,WWGIMORXIOMCER-UHFFFAOYSA-N
+rxn:4:202527:225123,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(-c2ccncc2OCC2CCCCO2)c1,XTPCWJVJBMFNCV-UHFFFAOYSA-N
+rxn:4:202554:225294,CCN1CCN(c2ncc(-c3ccc4c(c3)C(c3ccccc3Cl)=NCC(=O)N4CC(=O)OC)cn2)CC1,LEEFKVSUUFDKNC-UHFFFAOYSA-N
+rxn:4:202560:225044,C#CCn1c(=NC(=O)C2CCCCC2)sc2cc(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)ccc21,JCKHLJPJNOJABH-UHFFFAOYSA-N
+rxn:4:202655:222815,CC(C)C(=O)NS(=O)(=O)c1ccc(-c2ccc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,PUCWHADYGLCZDN-UHFFFAOYSA-N
+rxn:4:202655:222867,CC(C)(C)OC(=O)Nc1ccc(-c2ccc3[nH]cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1,ZPTMMMQMWRJYOG-UHFFFAOYSA-N
+rxn:4:202676:224371,COC(=O)C1CCN(c2ncc(-c3cnc4ccn([Si](C(C)C)(C(C)C)C(C)C)c4c3)cn2)CC1,AKKGHVRQOVCSII-UHFFFAOYSA-N
+rxn:4:202693:222521,CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)N3CCC(Oc4cccc5cccnc45)CC3)cc2)cc(C(F)(F)F)c1,OQWAHNXESGUJTB-UHFFFAOYSA-N
+rxn:4:202695:223885,CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ccc21,FCEJQQVZBLDTPI-UHFFFAOYSA-N
+rxn:4:202807:224199,CC(=O)N1CCN(Cc2ccc(-c3ccc(Sc4c(C)nn(C(=O)C56CC7CC(CC(C7)C5)C6)c4C)cc3)cc2)CC1,JPIOYBYHEATIBM-UHFFFAOYSA-N
+rxn:4:202987:223491,Cc1nn(CCCF)cc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1,JCQSFNHPVKIVMZ-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:4:203561:223834,Cc1cc(-c2ccc([N+](=O)[O-])c(CN3CCCC3)c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,ARQOALKNXNBGLI-UHFFFAOYSA-N
+rxn:4:203603:223608,COc1cc(S(=O)(=O)n2cnc(C)c2)ccc1-c1ccc(OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1,TYMCUGNGLAOTHZ-UHFFFAOYSA-N
+rxn:4:203610:223608,COc1cc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)ccc1S(=O)(=O)n1ccc(C)n1,IQACOUTZUXAPPG-UHFFFAOYSA-N
+rxn:4:203712:223173,O=S1(=O)CC(O)c2cc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)ccc21,WTAISRYMZSEWOV-UHFFFAOYSA-N
+rxn:4:203712:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)CC1,OBFNTSPSQHFJBV-UHFFFAOYSA-N
+rxn:4:203712:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4C=CC(C(F)(F)F)=NCC4)cc3)cc2)CC1,QNPXXAIQPAGIFN-UHFFFAOYSA-N
+rxn:4:203712:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,AVIWIYIRROGGHR-UHFFFAOYSA-N
+rxn:4:203712:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,KJTRXRPEGGEAQU-UHFFFAOYSA-N
+rxn:4:203712:224392,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,NGKBJTFAMUQYIG-UHFFFAOYSA-N
+rxn:4:203712:224405,O=S(=O)(c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1)N1C=CC(C(F)(F)F)=NCC1,DFDDHZFAPIWDOH-UHFFFAOYSA-N
+rxn:4:203712:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1,KZNHCBAWWURQJF-UHFFFAOYSA-N
+rxn:4:203712:226122,COCc1ccc(C2CC2)c(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)c1,FLVPTNPVMCCQFE-UHFFFAOYSA-N
+rxn:4:203712:226285,CC(C)COc1ccc(Cl)c(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)c1,GLOBOTSNCYYRGQ-UHFFFAOYSA-N
+rxn:4:203712:226286,CC(C)COc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)ccc1Cl,REWRRZPTAORCHP-UHFFFAOYSA-N
+rxn:4:203712:226297,CC(C)OCc1cc(-c2ccc(S(=O)(=O)N3C=CC(C(F)(F)F)=NCC3)cc2)ccc1F,HOOPKNMHQBXFQD-UHFFFAOYSA-N
+rxn:4:203757:224575,CC1CCN(c2ccc(-c3cncc(S(=O)(=O)N4CCC(C(F)(F)F)CC4)c3)c(C#N)c2)CC1,SDXSWBBGWCWILO-UHFFFAOYSA-N
+rxn:4:203757:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cncc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,MZUJYXZXRSFPNE-UHFFFAOYSA-N
+rxn:4:203766:223608,O=C1OC(c2ccc([N+](=O)[O-])cc2)=NC1=Cc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCOCC3)c2)cc1,UYIHZMLHGLIVBK-UHFFFAOYSA-N
+rxn:4:203825:225213,CN1CCN(c2ccc(-c3ccc(C(=O)N4CCN(S(C)(=O)=O)CC4)cc3)c(Cl)c2)CC1,QFPVVVYIRNWATE-UHFFFAOYSA-N
+rxn:4:203840:224172,CN(Cc1cccc(-c2ccc(C(=O)CC3C(=O)N(C)C(=O)N(C)C3=O)cc2)c1)C(=O)OC(C)(C)C,XDDJMNQVIKUTTR-UHFFFAOYSA-N
+rxn:4:203872:222466,CCN1CCN(Cc2ccc(F)cc2-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)CC1,PNHWJKOUTGXSSK-UHFFFAOYSA-N
+rxn:4:203881:223840,COc1ccc(-c2cccc(CC3CCN(S(C)(=O)=O)CC3)n2)cc1S(=O)(=O)N1CCN(C)CC1,QIPYNYFHVUGQOK-UHFFFAOYSA-N
+rxn:4:203887:222742,CCS(=O)(=O)N1CCN(c2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2)CC1,YBTZMZRWIDICRA-UHFFFAOYSA-N
+rxn:4:203896:223508,O=C(C1CC1)N1CCN(c2cccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)c2)CC1,MWRNXPFCFLMIIB-UHFFFAOYSA-N
+rxn:4:203897:222630,CCS(=O)(=O)N1CCN(c2cccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c2)CC1,UXQWARMFDOLQMU-UHFFFAOYSA-N
+rxn:4:203897:224712,CCS(=O)(=O)N1CCN(c2cccc(-c3ccc(C(OC(C)=O)OC(C)=O)cc3)c2)CC1,PDVFCPFCWHIDGW-UHFFFAOYSA-N
+rxn:4:203944:222524,CC(=O)N1N=C(c2ccccc2)CC1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1,OFEGORLYYVIEJH-UHFFFAOYSA-N
+rxn:4:203952:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cncc(CC4CCCN(C(C)=O)CC4)c3)cc2)C1,AKEKCSSYBAJHCT-UHFFFAOYSA-N
+rxn:4:203989:223508,CC(C)N1CCCC(Cc2cccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)n2)C1,LWLUQUYURQSFCV-UHFFFAOYSA-N
+rxn:4:204009:224656,COc1ccc(-c2cc(F)cc(CN3CCN(C(C)C)CC3)c2)c(F)c1OC1CCCC1,TTXQTPDJQYLVPD-UHFFFAOYSA-N
+rxn:4:204031:222724,CC(C)S(=O)(=O)N1CCN(c2ccccc2-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)CC1,VKGMXPPZCARZQV-UHFFFAOYSA-N
+rxn:4:204039:223691,CN(C)C1CCN(c2cccc(-c3cc(OCc4cccnc4)c(C(F)(F)F)cc3Cl)c2C(F)(F)F)CC1,RJPDWMAUVFFGQI-UHFFFAOYSA-N
+rxn:4:204054:223154,CCNC(=O)c1cc(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)ccc1F,ACVAUILKVDFSSB-UHFFFAOYSA-N
+rxn:4:204096:224082,CCC(C(=O)OC(C)(C)C)c1cccc(-c2cccc(C(C)N3CCN(C(C)C)CC3)c2)c1,QHUKZBNGOWQTIG-UHFFFAOYSA-N
+rxn:4:204116:226231,CCCCOc1ncc(-c2cccc(C(=O)N3CCCN(C4CCOC4)CC3)c2)cc1C,MYBKJIGCPVJGSI-UHFFFAOYSA-N
+rxn:4:204118:224317,CN1CCN(C(=O)c2ccc(-c3ccccc3C(=O)N3CCCN(C4CCSC4)CC3)c(F)c2)CC1,OMUOBIUIGCHUDI-UHFFFAOYSA-N
+rxn:4:204123:224317,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4F)cc3)CC2)cc1,XDRRRSMRCDFKRB-UHFFFAOYSA-N
+rxn:4:204125:224683,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(F)cc(C(=O)N5CCCCC5)c4)cc3)CC2)cc1Cl,NSYDODHMBTVDMO-UHFFFAOYSA-N
+rxn:4:204126:224683,Cc1c(Cl)cccc1N1CCN(S(=O)(=O)c2ccc(-c3cc(F)cc(C(=O)N4CCCCC4)c3)cc2)CC1,MZQPLDJQKXJLMU-UHFFFAOYSA-N
+rxn:4:204126:224689,Cc1c(Cl)cccc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cc2)CC1,UKYGWSCKIRRASN-UHFFFAOYSA-N
+rxn:4:204148:223769,CC1CCCN(Cc2ccc(-c3cc4cccc(C#N)c4n3C(=O)OC(C)(C)C)cc2N2CCCC2)C1,SVPYOFFAYJKCGN-UHFFFAOYSA-N
+rxn:4:204159:224498,CCN1CCN(Cc2ccccc2-c2cc(C)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc2C)CC1,ZRSMJDJLIZGTGY-UHFFFAOYSA-N
+rxn:4:204159:225313,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1-c1ccc(N2CCN(C)CC2)nc1F,BLRNCBZGGOZVFF-UHFFFAOYSA-N
+rxn:4:204161:224754,Cc1ccc(C(=O)N2C(=S)C(c3ccc(-c4ccccc4S(=O)(=O)N4CCCCC4)cc3)=NC23CCCC3)cc1,KAKIONBYARKLDV-UHFFFAOYSA-N
+rxn:4:204184:226663,Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)c1-c1ccc(N2CCSCC2)nc1,WFHGRHCPFVVKKW-UHFFFAOYSA-N
+rxn:4:204403:222538,COCn1ncc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)c1C12CCCC1O2,JLZRGUWDIXZDIZ-UHFFFAOYSA-N
+rxn:4:204403:223894,COCn1ncc(-c2cccc(OCCCN3CCN(C)CC3)c2)c1C12CCCC1O2,OWWMHEHYLZWHNZ-UHFFFAOYSA-N
+rxn:4:204412:223671,CN(C)C(=O)Oc1c(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(Cl)c2cccnc12,NYDIZECJDCKOGV-UHFFFAOYSA-N
+rxn:4:204417:222638,CC(NC(=O)OC(C)(C)C)c1cccc(-c2nc3c(s2)CN(C(=O)OC(C)(C)C)C3)c1,LTIPHSCKGWNAIM-UHFFFAOYSA-N
+rxn:4:204458:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccc4ncn(C(=O)OC(C)(C)C)c4c3)cc21,XFTQSCGSUNOUCE-UHFFFAOYSA-N
+rxn:4:204510:222637,CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc3c(n2)CN(C(=O)OC(C)(C)C)C3)cc1,NZGIFBFQEOETHZ-UHFFFAOYSA-N
+rxn:4:204552:224485,CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccnc3c2OCCN3C(=O)OC(C)(C)C)c1,YPEFULODEMXGDF-UHFFFAOYSA-N
+rxn:4:204595:225607,CC(c1ccc(-c2nc3c(s2)CCN(C(=O)OC(C)(C)C)CC3)s1)N1CCCCC1,OVOHFXOAQMYKJQ-UHFFFAOYSA-N
+rxn:4:204602:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1cnc2c(c1)CCCN2C(=O)OC(C)(C)C,XOXZDPJQQJYUCK-UHFFFAOYSA-N
+rxn:4:204655:223559,CC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc4c(c3)C(C)=CC(C)(C)N4C(=O)OC(C)(C)C)cc12,PHVADGNRMUWVQA-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:4:204681:224421,CC(C)c1cc(C(C)C)c(-c2ccc3c(n2)N(C(=O)OC(C)(C)C)CC3(C)C)c(C(C)C)c1,JZYQWDNJTOVKIT-UHFFFAOYSA-N
+rxn:4:204697:227955,COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(-c2cc(C)cnc2C(C)C)cc1,YHHJDMJZACVMCJ-UHFFFAOYSA-N
+rxn:4:204710:222863,CCCCNC(=O)c1cc(-c2cnn3c2OC[C@@H](O[Si](C)(C)C(C)(C)C)C3)ccc1Cl,MPLCBWVCBZWMNK-KRWDZBQOSA-N
+rxn:4:204715:223498,CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(Cl)c(C(=O)N4CC(N5CCc6sccc6C5)C4)c3)cc2)CC1,JVAVEJZPSDPBPC-UHFFFAOYSA-N
+rxn:4:204735:224679,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(Cl)cc(C(=O)N4CCCCC4)c3)c3ccccc23)CC1,MLKYKIFWDFLACT-UHFFFAOYSA-N
+rxn:4:204756:223075,O=C(c1ccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)cc1)N1CC(N2CC3CCCC3C2)C1,PBHCGPVYBCYSHW-UHFFFAOYSA-N
+rxn:4:204780:223028,CCCNC(=O)c1ccc(F)c(-c2ccc(S(=O)(=O)N3CC(N4CC5CCCC5C4)C3)cc2)c1,VESOAYBKOQBRTD-UHFFFAOYSA-N
+rxn:4:204799:226889,O=C(C1=CN(c2ccc(-c3cc(Cl)cc(C(F)(F)F)c3F)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1,FWWIMPHZWVATDZ-UHFFFAOYSA-N
+rxn:4:204804:228616,CSc1ccc(-c2ccccc2S(=O)(=O)N2C3CCC2CC(N2C(=O)CCC2=O)C3)c(C)c1,GVMVBTZXMNVMBW-UHFFFAOYSA-N
+rxn:4:204808:223166,O=C(C1=CN(c2ccc(-c3ccc(N4CCNCC4)nc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1,IJUOUCKHFXFYDZ-UHFFFAOYSA-N
+rxn:4:204835:224359,CCN(CC)C(=O)c1cc(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)cc([N+](=O)[O-])c1,RVTIGQKLEVFRKQ-UHFFFAOYSA-N
+rxn:4:204843:226492,COCCOc1ccc(Cl)c(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(F)cc43)cc2C)c1,RWKYMZVGANHKBO-UHFFFAOYSA-N
+rxn:4:204868:222886,CC1CCN(C(=O)C2=CN(c3ccc(-c4ccc(N5CCNCC5)cc4C#N)cc3)c3cc(Cl)ccc3S2(=O)=O)CC1,ANXSYSIYYDVBKL-UHFFFAOYSA-N
+rxn:4:204872:224703,Cc1ccc(C2C3C(=O)N(c4ccc(-c5cc(C6CCCC6)cc(C(F)(F)F)c5)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1,ILXDAUIVERBSSG-UHFFFAOYSA-N
+rxn:4:205138:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2ncc(C(F)(F)F)cc2[N+](=O)[O-])cc1,LIOHJBWDPLQAFQ-UHFFFAOYSA-N
+rxn:4:205166:223500,COc1ncc([N+](=O)[O-])cc1-c1ccc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1,HBCPQUXAHUQVCR-UHFFFAOYSA-N
+rxn:4:205897:223650,CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2nc(C(=O)N3CCOCC3)cs2)CC1,LZUBXPBYOSZLRY-UHFFFAOYSA-N
+rxn:4:206057:223489,Cc1cccc(C(=O)n2ccnc2)c1-c1ccc(S(=O)(=O)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,YSKQROQZFPOAFJ-UHFFFAOYSA-N
+rxn:4:206187:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3cc(N4CCCC4)ccc3C#N)cc12,COFPWUSBKIZVAX-UHFFFAOYSA-N
+rxn:4:206490:223814,COc1ncc(-c2ccc(CN3CCC4(CC3)OCCO4)cc2F)n1C1CCCCO1,XXGPPDVMIQJDSW-UHFFFAOYSA-N
+rxn:4:206582:222538,CC(=O)N1CCCC(c2ncc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)s2)C1,LQKWWXKZNJSHKL-UHFFFAOYSA-N
+rxn:4:206644:223960,CCN1CCN(C(=O)c2cc(-c3cc(C#N)ccc3N3CCC(F)(F)CC3)ccc2F)CC1,YXFKEGGCNNRSJD-UHFFFAOYSA-N
+rxn:4:206729:224376,CN1CCN(S(=O)(=O)c2cccc(-c3cccc(N4CCC(C(F)(F)F)CC4)n3)c2)CC1,OZCXKDJKSIPXLS-UHFFFAOYSA-N
+rxn:4:206737:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3cnccc3N3CCC(C(F)(F)F)CC3)c2)CC1,YRZCECREPRWUBG-UHFFFAOYSA-N
+rxn:4:206739:224285,Fc1cc(OCCN2CCOCC2)ccc1-c1cnccc1N1CCCC(C(F)(F)F)C1,DXTQVIIIAKNWGC-UHFFFAOYSA-N
+rxn:4:206740:223572,CC1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCC(F)(F)CC4)c([N+](=O)[O-])c3)c3ccccc23)CC1,LXLLLTWPIBSWPT-UHFFFAOYSA-N
+rxn:4:206766:224634,COc1ccc(-c2cc(F)c([N+](=O)[O-])c(N3CCC(F)(F)CC3)c2)cc1CN1CCOCC1,SCOCMGPMKJSAKM-UHFFFAOYSA-N
+rxn:4:206845:222540,Cc1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)cnc1C(=O)N1CCCCC1,BWKCKJVFXXXLDM-UHFFFAOYSA-N
+rxn:4:206930:222466,CN1CCN(Cc2cc(F)cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,VXKXVXJRWITYBG-UHFFFAOYSA-N
+rxn:4:206956:222461,CN1CCN(S(=O)(=O)c2cccc(-c3c(F)cc(F)c4sc(NC(=O)OC(C)(C)C)nc34)c2)CC1,STSFKWGPOQLWKR-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:4:206992:225357,CCOc1cc(-c2cncc(C(=O)N3CCC4(CC3)CC4(F)F)c2)c(F)c(C(F)(F)F)c1,PWJGJISMYKVSDN-UHFFFAOYSA-N
+rxn:4:207026:225335,CCOc1cc(OC(F)(F)F)ccc1-c1cncc(C(=O)N2CCC3(CC2)OCCO3)c1,CEKVMBDGKDABEY-UHFFFAOYSA-N
+rxn:4:207080:223574,CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cncc(C(=O)N4CCC5(CC4)OCCCO5)c3)c2)CC1,WAGXUQZRZCIQFN-UHFFFAOYSA-N
+rxn:4:207447:223810,Cc1cc(-c2cncc(C(=O)N3CC4CC3CS4)c2)cc(C)c1S(=O)(=O)N1CCC(C)CC1,JPJDUCZWNLXJSX-UHFFFAOYSA-N
+rxn:4:207618:224018,N#CC1=CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)c2cc(F)ccc2S1(=O)=O,RWPUEXDWBJUVOV-UHFFFAOYSA-N
+rxn:4:207729:223748,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccccc32)ccc1-c1cc(N2CCCCC2)cc(N2CCCCC2)c1,WCURFHADKHTWMR-UHFFFAOYSA-N
+rxn:4:207731:224326,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)ccc1-c1ccc(S(=O)(=O)N2CCCCC2)c(C)c1,ALMBOYIZHSODGX-UHFFFAOYSA-N
+rxn:4:207731:224404,Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)ccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1,OTRIGZZGQQWTRV-UHFFFAOYSA-N
+rxn:4:207813:224017,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCS4(=O)=O)cc3C(F)(F)F)c3ccccc23)CC1,WRQYNNPLQJAZII-UHFFFAOYSA-N
+rxn:4:207856:225753,COC(=O)c1cnc(C2CC2)c(-c2ccc3c(c2)CCCC3N2CCN(C(C)C)CC2)c1,FMGVFBJEHVAJTH-UHFFFAOYSA-N
+rxn:4:207959:222988,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)nc(C5CCNCC5)c4)ccc2OC3C2CCCCC2)cc1,SBLBEHASZTWCAI-UHFFFAOYSA-N
+rxn:4:207959:226180,Cc1ccc(C2=NN3C(C2)c2cc(-c4cc(C)nc(C5CCCC5)c4)ccc2OC3C2CCCCC2)cc1,DVZITBNZDNGBPG-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:4:209884:222465,Cc1cc(N2CCCCC2C)ncc1-c1cc(C2CCCCC2)nc(C2CCCNC2)c1,NIBLGTOPDMXKNI-UHFFFAOYSA-N
+rxn:4:209896:222606,CC(C)(C)NC(=O)c1c(-c2cnn(C3CCOC4(CCOCC4)C3)c2)cccc1C(F)(F)F,XEBHCJVHLFAXCH-UHFFFAOYSA-N
+rxn:4:210694:222389,CC1OCC2(c3c(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cnn3C)OC12,OUWFVVRBORRLON-UHFFFAOYSA-N
+rxn:4:210833:223823,Cn1ncc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C12CCCCC1O2,NRDKXBPQGZQHCW-UHFFFAOYSA-N
+rxn:4:211060:224765,CN1CCN(C2CCCc3cc(-c4cc(C(F)(F)F)ccc4N4CCCC4)ccc32)CC1,BDPMKPSRGPYUHX-UHFFFAOYSA-N
+rxn:4:211061:224018,CN1C(=O)C(=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)ccc21,CHGDAFVBMGVIHL-UHFFFAOYSA-N
+rxn:4:211061:224405,CN1C(=O)C(=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)ccc21,ZQCWEIJUTJFEAQ-UHFFFAOYSA-N
+rxn:4:211073:225223,CC1CCN(c2cc(F)c(-c3ccc4c(c3)N3CCCCC3=C(C#N)S4(=O)=O)cn2)CC1,PNMBCZVOYABIJB-UHFFFAOYSA-N
+rxn:4:211073:225227,CC1CCN(c2ncc(-c3ccc4c(c3)N3CCCCC3=C(C#N)S4(=O)=O)cc2Cl)CC1,GNPWLADGVNRVLA-UHFFFAOYSA-N
+rxn:4:211097:225090,CCOCc1cc(OC)c(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C2(CCCC2)O3)c(OC)c1,LZHVMLFPDATRAS-UHFFFAOYSA-N
+rxn:4:211101:223712,COc1ccc(-c2ccc3c(c2)C2CC(c4ccc(C)cc4)=NN2C2(CCC(C)CC2)O3)cc1C12CC3CC(CC(C3)C1)C2,OCCVFSZFANBBIG-UHFFFAOYSA-N
+rxn:4:212283:223602,CN1C(=O)COc2cc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3Cl)cnc21,LMTKLADFGSDHCZ-UHFFFAOYSA-N
+rxn:4:212527:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnn(CC4CN(C(=O)COc5ccc(Cl)cc5)C4)c3)c(F)cc2C)CC1,HSVURYOPSZFBGF-UHFFFAOYSA-N
+rxn:4:212537:225333,Cc1nc(-c2ccc(COCC(F)(F)F)c(F)c2)cn1CCN(C)C(=O)OC(C)(C)C,ZQGJVAVWUFMQCT-UHFFFAOYSA-N
+rxn:4:212542:225875,CCOCC(=O)N1CCCC(Oc2ncc(-c3ccc(N4CCOCC4)cc3Cl)cn2)C1,HQMBXYIAZXFHBJ-UHFFFAOYSA-N
+rxn:4:212569:225338,O=C(CSC1CCCC1)N1CC(Cn2cc(-c3ccc(F)c(COCC(F)(F)F)c3)cn2)C1,LFSQLRJOBOTEBA-UHFFFAOYSA-N
+rxn:4:212576:222647,Cc1cc(-c2cnn(CC3CN(C(=O)C(C)Oc4ccccc4)C3)c2)c(C)cc1NC(=O)OC(C)(C)C,UVQBLVTZJZCNSO-UHFFFAOYSA-N
+rxn:4:212582:223881,Cc1ccc2cc(-c3ccc(S(=O)(=O)N4CCN=C4SCc4ccc([N+](=O)[O-])cc4)cc3)n(C(=O)OC(C)(C)C)c2c1,RHPBJRZOJYFRQU-UHFFFAOYSA-N
+rxn:4:212584:223105,CNS(=O)(=O)c1cc(-c2cn(C)nc2CN(C(=O)OC(C)(C)C)C(C)C)c(F)cc1C,DDMJQSJGWOYZGF-UHFFFAOYSA-N
+rxn:4:212602:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cnc(OC2CCN(C(=O)COc3ccccc3)CC2)nc1,VMYQOZKFHTWFDE-UHFFFAOYSA-N
+rxn:4:212605:223122,CC(C)C(=O)Nc1cccc(-c2cn(C)nc2OCC2CCN(C(=O)OC(C)(C)C)C2)c1,MTAUZNGNKMUNJV-UHFFFAOYSA-N
+rxn:4:212619:222439,CC(C)(C)OC(=O)N1CCCC(COc2ncc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cn2)C1,RFTDJRCLMWRAOF-UHFFFAOYSA-N
+rxn:4:212643:225159,COc1ccc(CC(=O)N2CCC(Oc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cn3)CC2)cc1,CGIBMRGJRODEEE-UHFFFAOYSA-N
+rxn:4:212649:225313,CCC(C)(C)C(=O)N1CCCC(COc2ncc(-c3ccc(N4CCN(C)CC4)nc3F)cn2)C1,NTPOFTVBUIJCKY-UHFFFAOYSA-N
+rxn:4:212650:223812,CC(C)(C)CC(=O)N1CCCC(COc2ncc(-c3cc(F)cc(CN4CCC5(CC4)OCCO5)c3)cn2)C1,RDAPJJVFDSMWAZ-UHFFFAOYSA-N
+rxn:4:212666:222851,CCc1cc(-c2cnc(OCC3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)nc2)cc(C2CCNCC2)n1,PODZYZJXWQXNIT-UHFFFAOYSA-N
+rxn:4:212693:226792,CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cncc(-c2cnc(N3CCOCC3)nc2)c1,WODKKPLCPBOVED-UHFFFAOYSA-N
+rxn:4:212715:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc(-c3cnc(SCC(=O)N4CCCCC4)n3-c3cccc(Cl)c3)cc2)CC1,PYTRBQFXSFRHDL-UHFFFAOYSA-N
+rxn:4:212732:223813,O=C(c1ccc(S(=O)(=O)c2ccc(-c3ccc(CN4CCC5(CC4)OCCO5)c(F)c3)cc2)nc1)N1CCN(Cc2ccccc2)CC1,FSFNVIVYWKKUHL-UHFFFAOYSA-N
+rxn:4:212737:224020,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3ccc4ccc5cccc6ccc3c4c56)c2)CC1,GMAZWIILCHMBSY-UHFFFAOYSA-N
+rxn:4:212738:223279,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cnc(C4CCCN4)nc3)cc2N2CCOCC2)CC1,CYKJCQREZQHLFO-UHFFFAOYSA-N
+rxn:4:212751:225174,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(F)cc3CN3CCOCC3)c2)CCN1C(=O)OC(C)(C)C,YMOVRMHNQOBDSD-UHFFFAOYSA-N
+rxn:4:212775:226530,CCOC(=O)c1cccc(-c2ccc3c(c2)sc(=NC(=O)CN2C(=O)CCC2=O)n3CCOC)c1F,BCJVBWMYNFDUOG-UHFFFAOYSA-N
+rxn:4:212827:225137,Cc1cnn(-c2ccc(-c3ccc4[nH]c(C(=O)N5CCC(N(C)C(=O)OC(C)(C)C)CC5)cc4c3)c(C#N)c2)c1,NPLMMEPGTPGTNL-UHFFFAOYSA-N
+rxn:4:212839:228360,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cnc(C(C)C)nc4Cl)ccn23)CC1,CXRPXJNVPHARAQ-UHFFFAOYSA-N
+rxn:4:212887:224590,COC(=O)CN1CCC(Cn2cc(-c3ccc(CN4CCC(C)CC4)cc3F)cn2)C1,XIWTVLKILYPJLR-UHFFFAOYSA-N
+rxn:4:212896:223866,CC1(C)CCCC(C)(C)N1Cc1ccccc1-c1ccccc1-c1nnc(SCC(=O)N2CCCC2=O)o1,SHUXMQCZDRYPOQ-UHFFFAOYSA-N
+rxn:4:212909:226654,CC1CCN(c2nc(-c3cnc(OCC4CCCN(CC(F)(F)F)C4)nc3)cs2)CC1,CBQAPVCIRMPVRD-UHFFFAOYSA-N
+rxn:4:212917:225195,COC(=O)CN1CCC(Cn2cc(-c3ccc(F)c(OC4CCCCO4)c3)cn2)CC1,MFYFCJVYCMFYFW-UHFFFAOYSA-N
+rxn:4:212935:224317,CN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)cnc3N3CC(COc4cccnc4)C3)c(F)c2)CC1,DYLQVCYYCVSFQP-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:4:212944:223698,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCCC3)c2)CC1,CTTNMCZFZYBJBH-UHFFFAOYSA-N
+rxn:4:212944:226017,CCOC(=O)N1CCN(c2ncc(C(F)(F)F)cc2-c2ccc(OC(F)(F)F)c(OC)c2)CC1,MMMXJZGOVMUSOM-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:4:213011:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)C)C4)nc3)c(F)c2)CC1,PGFHDWVHJNIVHA-ANRZFKABSA-N
+rxn:4:213011:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)C(C)C)C4)nc3)c(Cl)c2)CC1,NDQPKURFGNXSAH-UHFFFAOYSA-N
+rxn:4:213052:224804,CC(C)Oc1ccc(-c2cnc(OCC3CCN(C(=O)C4CC(F)(F)C4)CC3)nc2)cc1OC(F)(F)F,ROOCCAWAFMHBKN-UHFFFAOYSA-N
+rxn:4:213074:222912,CC(C)CNS(=O)(=O)c1ccc(-c2nccn2CC2CCN(C(=O)OC(C)(C)C)CC2)cc1,JLWOTDQVIZOFBN-UHFFFAOYSA-N
+rxn:4:213081:224280,CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc2C#N)CC1,AXFPTWGGFJPBRJ-UHFFFAOYSA-N
+rxn:4:213127:226438,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(C4CCCC4)cc3F)ccn2)CC1,DMAUSSMMSYYTOV-UHFFFAOYSA-N
+rxn:4:213127:226662,CN1CCN(c2ccc(-c3ccnc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)s2)CC1,AEGDLNPOAAUNDA-UHFFFAOYSA-N
+rxn:4:213131:222634,CC(C)(C)C(=O)N1CCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)CC1,HSTGPMYMYGPNLS-UHFFFAOYSA-N
+rxn:4:213136:226371,Cc1cc(N2CCCC2)ncc1-c1cnc(OCC2CCCN(CC3CCCO3)C2)nc1,SPEZRKDVHZCVPL-UHFFFAOYSA-N
+rxn:4:213136:226778,COc1cc(-c2cnc(OCC3CCCN(CC4CCCO4)C3)nc2)c(F)c(F)c1OC,UJRCUMGQKQLZGP-UHFFFAOYSA-N
+rxn:4:213137:226502,CCOC(=O)c1nc(N2CCN(C(C)C)CC2)ccc1-c1ccn(C(=O)OC(C)(C)C)c1,XFKKPCYWVUNUSI-UHFFFAOYSA-N
+rxn:4:213138:225984,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3cnc(Cl)c(N4CCOCC4)c3)cnc2F)CC1,XABUEGPCZQMNPM-UHFFFAOYSA-N
+rxn:4:213178:225300,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OC5CCOCC5)nc4F)cn3)C2)c(C)o1,YUQSTXLASOHBCH-UHFFFAOYSA-N
+rxn:4:213192:225984,CC(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(Cl)c(N4CCOCC4)c3)n2)CC1,ADBOEODEHUYLNJ-UHFFFAOYSA-N
+rxn:4:213203:222826,Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc3)CC2)nn1,NDEQCQUNNLAVCR-UHFFFAOYSA-N
+rxn:4:213213:226844,CN(c1cccc(-c2ccnc(C(=O)C(F)(F)F)c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1,BGESADFITHXGJT-UHFFFAOYSA-N
+rxn:4:213214:223167,CCN1CCN(c2cc(C(=O)OC(C)(C)C)cc(-c3ccnc(N4CCNCC4)c3)n2)CC1,LGUWBEZTEBFZIO-UHFFFAOYSA-N
+rxn:4:213215:227467,COCCOc1cnccc1-c1cnc(OCC2CCN(CC3CCOCC3)CC2)nc1,VZTIUZHIIHIXEP-UHFFFAOYSA-N
+rxn:4:213236:222853,COc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(CN5CCC(O)CC5)cc4)cn3)C2)cc1C,SHQWKNJSNMGWPB-UHFFFAOYSA-N
+rxn:4:213237:223294,CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc(-c3csc(N4CCNCC4)n3)cc2)[nH]1,HQGANDPWPNBRFB-FQEVSTJZSA-N
+rxn:4:213264:222676,CC(C)(C)OC(=O)NCc1ccc(F)cc1-c1ccc(CC(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1,GHGMDZDJNMXNRK-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:4:213291:222507,COc1ccc(NC(=O)c2ccc(F)c(-c3ccc(CC(=O)N4CCC(n5nc(C(C)(C)C)ccc5=O)CC4)cc3)c2)cc1,SGRQTAOFPVDQHA-UHFFFAOYSA-N
+rxn:4:213373:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cccnc3OC3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)c(F)cn2)CC1,KOUIMGQMWWTUPE-UHFFFAOYSA-N
+rxn:4:213462:223489,Cc1ccc(Cn2c(SCc3cccc(-c4ccc(S(=O)(=O)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)c3)nc3c(sc4ncccc43)c2=O)cc1,CNBAPJPSFMODHN-UHFFFAOYSA-N
+rxn:4:213471:223903,O=C1CCN(C(=O)CCc2ccccc2-c2ccc(S(=O)(=O)N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)cc2)CC1,SQDKLKCDAWVOGK-UHFFFAOYSA-N
+rxn:4:213472:227533,COC(=O)c1ccc(Cl)c(-c2ccccc2C(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1,RAYMEAKTLHEDMP-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:4:213480:224691,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:4:213480:224764,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(C(=O)N5CCOCC5)cc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,AYHHLXSVXHKOIG-SIGULORKSA-N
+rxn:4:213480:226664,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(N5CCCC5)ncc4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,ZJNVLPZLNSWYBV-UCKIBBKRSA-N
+rxn:4:213537:223659,CC(C)(C)OC(=O)N1CCC(Cn2cc(-c3ccc(-n4ccc(C=C(C#N)C#N)c4)cc3)cn2)CC1,SWYLMOBMVWKGJE-UHFFFAOYSA-N
+rxn:4:213661:222546,CCOC(=O)C1CCN(c2ncc(-c3ccc(OCCNC4CCCCC4)c(F)c3)cn2)CC1,RYEFMEOTYXXHPV-UHFFFAOYSA-N
+rxn:4:213687:222630,COCCN1CCN(c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cn2)CC1,JSKFEECIGWBPFK-UHFFFAOYSA-N
+rxn:4:213718:222947,OC1CCCN(c2ncc(-c3cnn(CC4CN(CC5COCCO5)C4)c3)c(Cl)n2)C1,FWBWQXFQFYERFS-UHFFFAOYSA-N
+rxn:4:213740:223841,Cc1cc(F)c(-c2ccc(S(=O)(=O)N3CCC(Oc4ncc(F)cn4)C3)cc2)cc1S(=O)(=O)N1CCN(C)CC1,ABCIYEFIHNVDSO-UHFFFAOYSA-N
+rxn:4:213771:222945,CC(C)NS(=O)(=O)c1ccc(-c2cnc(OC3CCN(C(=O)C(C)C)CC3)nc2)cc1F,KYAVUGRRLTXDLG-UHFFFAOYSA-N
+rxn:4:213838:222584,CC(C)(C)OC(=O)N1CCC(c2n[nH]cc2-c2ccc(OCCCN3CCNCC3)c(F)c2)CC1,OZKHHXFBGXAUGP-UHFFFAOYSA-N
+rxn:4:213863:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)ccc2C)CC1,NKQAKHILJIPDRV-UHFFFAOYSA-N
+rxn:4:213863:224321,CC1CCN(S(=O)(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC(Oc5ncccn5)C4)cc3)c2)CC1,UDVANTUOAPPBBS-UHFFFAOYSA-N
+rxn:4:213872:225192,Fc1cnc(OC2CCCCC2)cc1-c1cnn(CC2CN(CC3CCCCC3)C2)c1,KUCNASBLRLXFGB-UHFFFAOYSA-N
+rxn:4:213872:225226,CC1CCN(c2cc(-c3cnn(CC4CN(CC5CCCCC5)C4)c3)c(F)cn2)CC1,RODBCDVWHMWTMJ-UHFFFAOYSA-N
+rxn:4:213882:222723,O=S1(=O)CCC(CN2CC(Cn3cc(-c4cccc(NS(=O)(=O)N5CCOCC5)c4)cn3)C2)CC1,GZULDIVLIQANOQ-UHFFFAOYSA-N
+rxn:4:213897:225975,CC(C)(C)OC(=O)N1CCN(c2ccncc2-c2ccnc(N3CCOCC3)c2Cl)CC1,MSYOYKCWLFWMDH-UHFFFAOYSA-N
+rxn:4:213901:225980,CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ccc2-c2cc(N3CCOCC3)ncc2F)CC1,NENCOIUOUUDEQK-UHFFFAOYSA-N
+rxn:4:213928:223579,Cc1nccc(OC2CCCN(C(=O)c3ccccc3-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4C)cc3)C2)n1,MRSCOXBSCCXKKX-UHFFFAOYSA-N
+rxn:4:213932:226129,O=C(C1CN(c2ncc(-c3cccc(CN4CCCC4)c3)cc2C(F)(F)F)CCO1)N1CCCC1,TWHCVEMMWIFRDA-UHFFFAOYSA-N
+rxn:4:213938:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,YEYYCTUPUJEKFP-UHFFFAOYSA-N
+rxn:4:213938:224325,CS(=O)(=O)N1CC=C(c2ccc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)cc2)CC1,NRHRIQOMLTWZHD-UHFFFAOYSA-N
+rxn:4:213969:223815,O=C(c1ccc(-c2ccc(Cl)c(CN3CCC4(CC3)OCCO4)c2)o1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1,RUFPLILOUQLKGV-UHFFFAOYSA-N
+rxn:4:213971:224594,CC(=O)N1CCCCC1c1ccccc1-c1cc(C(F)(F)F)cnc1N1CCOC(C(=O)N2CCOCC2)C1,GBVOYVBEODCKHH-UHFFFAOYSA-N
+rxn:4:213973:223802,O=C(C1CN(c2ncc(C(F)(F)F)cc2-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)CCO1)N1CCSCC1,NLFZTKZAKQGJDB-UHFFFAOYSA-N
+rxn:4:213974:225979,CC(C)(C)OC(=O)N1CCCN(c2cccc(-c3cnc(N4CCOCC4)c(Cl)c3)n2)CC1,MWOSYGZPEZNIMW-UHFFFAOYSA-N
+rxn:4:213980:223080,CC(C)NS(=O)(=O)c1ccc(-c2ccnc(C3CCN(C(=O)OC(C)(C)C)CC3C)n2)cc1,YUPVFKWVWGSQRN-UHFFFAOYSA-N
+rxn:4:213989:222928,Cc1nc(N2CCC(O)CC2)ncc1-c1cnc(OCC2CCCN(C3CCOCC3)C2)nc1,ZYTDBKIYLUECGT-UHFFFAOYSA-N
+rxn:4:213997:223093,CC1CN(c2ccncc2-c2cncc(NS(=O)(=O)C(C)C)c2)CCN1C(=O)OC(C)(C)C,PWYOKEMYHDLGGA-UHFFFAOYSA-N
+rxn:4:213999:222899,CCCCNS(=O)(=O)c1ccc(-c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3C)nc2)cc1,KMDBHYACBARWIE-UHFFFAOYSA-N
+rxn:4:214033:223146,CC(C)[C@H]1COC(c2cc(-c3cccc(C4CNCCO4)c3)cc(C3=N[C@@H](C(C)C)CO3)n2)=N1,KRWOWVMENRVTRN-AEAWWFNXSA-N
+rxn:4:214033:227060,Cc1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cc1OC(C)C,BBSIZODQUXFIEU-DNQXCXABSA-N
+rxn:4:214033:227483,COC(=O)Cc1ccc(-c2cc(C3=N[C@@H](C(C)C)CO3)nc(C3=N[C@@H](C(C)C)CO3)c2)cn1,GEVYEIPTFHBKPF-FGZHOGPDSA-N
+rxn:4:214038:224590,Cc1ccc(S(=O)(=O)N2CCCC(Oc3ncc(-c4ccc(CN5CCC(C)CC5)cc4F)cn3)C2)cc1C,QCIDIQNCKJIIIQ-UHFFFAOYSA-N
+rxn:4:214045:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3ccc(CN4CCC(Cn5nc(C)cc5C)CC4)cc3)cc2)C1,GRXSJJYUNVTQMB-UHFFFAOYSA-N
+rxn:4:214071:223076,O=C(c1cccc(-c2cccc(S(=O)(=O)NC3CC3)c2)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1,KRNAKTOLPDVBRL-UHFFFAOYSA-N
+rxn:4:214190:223775,COc1ccc2c(c1)c(-c1cccc3c1ccn3CC(=O)N1CCN(C(C)=O)CC1)cn2C(=O)OC(C)(C)C,HFTQQMGSMAMMPE-UHFFFAOYSA-N
+rxn:4:214212:224247,CC1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)o3)c(F)c2)CC1,ACLGBYUPDCBVNJ-UHFFFAOYSA-N
+rxn:4:214257:222997,CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1ccc(-c2ccc(Cl)cc2C2CCCNC2)cn1,HTAZAYQDANQQJN-UHFFFAOYSA-N
+rxn:4:214293:222815,Cc1cccc(C)c1-n1nc2c(c1-c1ccc(S(=O)(=O)NC(=O)C(C)C)cc1)CN(C(=O)OC(C)(C)C)C2,LYJMDJNHFKSOAL-UHFFFAOYSA-N
+rxn:4:214296:224075,CC(C)(C)OC(=O)N1CCN(c2ccnc3ccc(-c4ccc5ccn([Si](C)(C)C(C)(C)C)c5c4)cc23)CC1,XUQUGQLKZLEWKB-UHFFFAOYSA-N
+rxn:4:214308:224406,Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(-c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)ccc21,QYLGOVLYYRFQNU-UHFFFAOYSA-N
+rxn:4:214379:226221,Cc1c(Cl)c(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5c6c(c4)CCN6C(=O)CC5)CC3)o2)cc2cccnc12,KRXHKVVZXJNTPE-UHFFFAOYSA-N
+rxn:4:214389:226520,COc1ccc(-c2ccc3c(c2)C2(C(=O)N3CCC(C)C)c3[nH]c4ccccc4c3CCN2C(C)=O)c(OC)c1OC,QNQZYOCKBONPTO-UHFFFAOYSA-N
+rxn:4:214551:222426,Cc1nc(-c2ccc3c(c2)C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N3)nn1CCC(C)C,UEWIMFDIDMISBQ-UHFFFAOYSA-N
+rxn:4:214585:222522,COc1ccc(-c2ncccc2CN2CC(S(N)(=O)=O)C2)cc1S(=O)(=O)N1CCC(O)CC1,LJNLDCYVGSZHEI-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:4:214631:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc(CC2CCN(S(C)(=O)=O)C2)cn1,YOAAHUXGELVRCO-UHFFFAOYSA-N
+rxn:4:214694:224371,COC(=O)C1CCN(c2ncc(-c3cnn(CC4CN(C(C)C)CCO4)c3)cn2)CC1,OHZIJSIGUYGQNM-UHFFFAOYSA-N
+rxn:4:214699:223712,CCN1CCN(Cc2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cn2)CC1,OLCPHCZGDCDXFC-UHFFFAOYSA-N
+rxn:4:214711:223844,CCS(=O)(=O)N1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)cn2)CC1,GXHINNWYDXBNBB-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:4:214771:222724,CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)CC1,IDNYJHXZEYGKKT-UHFFFAOYSA-N
+rxn:4:214786:222724,O=C1CN(S(=O)(=O)c2ccccc2-c2cnc(N3CCNCC3)c(C(F)(F)F)c2)CCN1c1cccnc1,HZLZUZGKVZKPRI-UHFFFAOYSA-N
+rxn:4:214786:224349,O=C1CN(S(=O)(=O)c2ccccc2-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)CCN1c1cccnc1,WACVSPBPRUQCKV-UHFFFAOYSA-N
+rxn:4:214803:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc(N3CCOC(C(=O)N4CCCC4)C3)nc2)CC1,WKADVCHVVBURAO-UHFFFAOYSA-N
+rxn:4:214821:224933,O=S(=O)(C1CC1)N1CCCN(c2ncc(-c3ccc(OCCN4CCCC4)cc3)cc2F)CC1,AZXPACVCVQFSHJ-UHFFFAOYSA-N
+rxn:4:214829:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cccnc3N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)CC1,IVAQRVBSASGFDM-RSSXGHEXSA-N
+rxn:4:214838:223602,CC(C)(C)OC(=O)N1CCN(c2nccc(-c3cnc(N4CCOC(C(=O)N5CCOCC5)C4)c(F)c3)c2Cl)CC1,DQLFGQDKFAFGNB-UHFFFAOYSA-N
+rxn:4:214839:222586,O=C(NCCc1ccc(F)cc1)c1ccc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)s1,NTJVJRRGMJLEHX-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:4:214839:227213,CCCCSc1cncc(-c2cnc(N3CCOC(C(=O)N4CCSCC4)C3)c(F)c2)c1,JPBPXXKWKNNXKP-UHFFFAOYSA-N
+rxn:4:214862:223766,CC(C)(C)OC(=O)n1c(-c2cncc(C(=O)N3CCCN(C4CCSC4)CC3)c2)cc2cc(C#N)ccc21,NZDMPKRIWOCIPY-UHFFFAOYSA-N
+rxn:4:214868:225093,CCCOc1c(Cl)cc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1OCC,PIDGFRLCMMZUPN-UHFFFAOYSA-N
+rxn:4:214868:225518,CCCCCOc1ncc(C)cc1-c1cccnc1N1CCOC(C(=O)N2CCCCC2)C1,UGPPVKMQPRMCFW-UHFFFAOYSA-N
+rxn:4:214868:226231,CCCCOc1ncc(-c2cccnc2N2CCOC(C(=O)N3CCCCC3)C2)cc1C,IMSVOMXUVDUDNL-UHFFFAOYSA-N
+rxn:4:214872:226232,CN(C)CCOc1cccc(-c2cc(Cl)cnc2N2CCOC(C(=O)N3CCCCC3)C2)c1,NNNQDMPOGSOJRH-UHFFFAOYSA-N
+rxn:4:214873:226255,CCCCOc1ccc(Cl)cc1-c1cnc(N2CCCC(C(=O)N3CCOCC3)C2)c(F)c1,HSIKIZFLILYTJM-UHFFFAOYSA-N
+rxn:4:214874:225542,CCCCCc1ccc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)c(F)c2)c(F)c1F,UKULXZFMMNFEFF-UHFFFAOYSA-N
+rxn:4:214884:224487,O=C(C1CCN(c2ncc(Cl)cc2-c2cccc(OCCN3CCCCC3)c2)CC1)N1CCC(F)(F)CC1,YNBIYYXYLXFGSD-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:4:214896:222580,Cc1cc(-c2ccc(S(=O)(=O)NC3CC3)c3ccccc23)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1,CYTJNBRZHAMGLZ-UHFFFAOYSA-N
+rxn:4:214900:224602,CN1CCN(Cc2ccc(-c3ccc4cnn(C5CCCCO5)c4c3)cc2N2CCCCC2)CC1,FOVKEDDREJGESK-UHFFFAOYSA-N
+rxn:4:215077:223981,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCn5nc(C6CC6)cc5C4)o3)cc2)CC1,UHZHLILAZIOYFN-UHFFFAOYSA-N
+rxn:4:215140:222712,CN1CCN(C(=O)Cn2ccc3ccc(-c4ccc(NC(=O)OC(C)(C)C)c(F)c4F)cc32)CC1,OSYDWFZRMRVPCE-UHFFFAOYSA-N
+rxn:4:215148:223018,CC(C)(C)OC(=O)N1Cc2cnc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)n2CC1(C)C,RFTRYQOWNYFESD-UHFFFAOYSA-N
+rxn:4:215153:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(CN2CCC3CN(c4ccccn4)CC32)o1,QWXYKEABLDAHAV-UHFFFAOYSA-N
+rxn:4:215166:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2C(=O)N2C3CCC2CC(n2cccn2)C3)CC1,DZFQWPHPSHOVHX-UHFFFAOYSA-N
+rxn:4:215170:227496,CCN(C)c1cc(F)c(-c2cncc(C(=O)N3CC(N4C(=O)C5CC=CCC5C4=O)C3)c2)cn1,FNLJAXUFHPNCAR-UHFFFAOYSA-N
+rxn:4:215238:224689,Cc1cc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)N5CCCCC5)cc4Cl)cc3)CC2)nc2c(C)cccc12,CPKXAKUYNYVCFS-UHFFFAOYSA-N
+rxn:4:215309:225293,CC(C)Oc1cc(-c2cccc3c2C(=O)N2CCC[C@H]2c2c(C(=O)OC(C)(C)C)ncn2-3)ccc1C(F)(F)F,HDFJWHHTINWRKX-NRFANRHFSA-N
+rxn:4:215775:223598,N#Cc1cc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cnc1N1CCCCC1,KVMFQQGXJPAHTI-UHFFFAOYSA-N
+rxn:4:215780:223572,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCC(F)(F)CC4)c(C#N)c3)c3ccccc23)CC1,UYOSMRFMNRITET-UHFFFAOYSA-N
+rxn:4:215822:222465,c1c(-c2nc(C3CC3)cc(N3CCCC3)n2)cc(C2CCCNC2)nc1C1CCCCC1,GNFTXVTXINNCRW-UHFFFAOYSA-N
+rxn:4:215826:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(OC)nc3N3CCCCC3)c(F)c2)CC1,UCFSUBJPURFZMI-MEMLXQNLSA-N
+rxn:4:215904:223828,CCN1CCN(c2cc(-c3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)cc(C(F)(F)F)c2)CC1,BOPMIYIBXWCWGK-UHFFFAOYSA-N
+rxn:4:215907:222694,CN1CCN(S(=O)(=O)c2ccc(-c3cccc(S(=O)(=O)NC4CCCCC4)c3)cn2)CC1,GLMFXTWTKCHMLH-UHFFFAOYSA-N
+rxn:4:215912:224659,CN1CCN(C(=O)c2cccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)c2)CC1,WQMATKXZHBIKSW-UHFFFAOYSA-N
+rxn:4:215922:222614,CC1CCCCN1C(=O)c1cnn(C)c1-c1ccc(S(=O)(=O)NC2CC2)cc1C(F)(F)F,MKUMQNWBTDOHLL-UHFFFAOYSA-N
+rxn:4:215966:223712,COc1ccc(-c2nc(C3CC3)cc(N3CCC(C)CC3)n2)cc1C12CC3CC(CC(C3)C1)C2,AMEPXOHJBMZBKM-UHFFFAOYSA-N
+rxn:4:215982:222708,CC(C)CC(=O)NS(=O)(=O)c1ccc(-c2cc(N3CCCC(C)C3)nc(C(C)C)n2)cc1,CWTNCLOGKZVVEH-UHFFFAOYSA-N
+rxn:4:216211:223815,COc1ccnc2c1c(-c1ccc(Cl)c(CN3CCC4(CC3)OCCO4)c1)nn2C1CCCCO1,NRDHGOLVYPGAKS-UHFFFAOYSA-N
+rxn:4:217765:223528,Cc1nc(N2CCC2)c2cc(-c3ccc(F)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)sc2n1,JOZIEDXFHCZKEN-UHFFFAOYSA-N
+rxn:4:217765:223536,Cc1nc(N2CCC2)c2cc(-c3cc(F)c(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)c3)sc2n1,BWWCRNTVFYCMKO-UHFFFAOYSA-N
+rxn:4:217889:223992,Cc1ccc(-c2cnc(N3C4CCC3CC(=C3CC3)C4)nc2)cc1S(=O)(=O)N1CCN(C)CC1,QCZXXSSHFZKQPZ-UHFFFAOYSA-N
+rxn:4:218560:224162,Cc1noc(C)c1CCC(=O)N1CC(Cn2cc(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cn2)C1,ZNZZJUUBMCXRPX-UHFFFAOYSA-N
+rxn:4:218604:222651,COc1ccc(C(=O)N2CCC(COc3ncc(-c4cc(C(=O)NC5CCCCC5)ccc4F)cn3)CC2)cn1,XIMLRIMDCYNRMC-UHFFFAOYSA-N
+rxn:4:218606:224010,COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(OCC2CCCN(C(=O)c3cccnc3OC)C2)nc1,VYXPGSKIRKKFQW-UHFFFAOYSA-N
+rxn:4:218630:224676,COc1nccnc1N(C)CC1CCN(C(=O)c2ccc(-c3ccccc3C(=O)N3CCN(C)CC3)o2)CC1,PWOTXONTBXXONQ-UHFFFAOYSA-N
+rxn:4:218666:223670,CC(C)(C)OC(=O)N1CCN(c2ncccc2-c2cncc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)C3)c2)CC1,GOQHZYIFHRGVGB-UHFFFAOYSA-N
+rxn:4:218711:226808,CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3-c3cnc(Cl)c(-n4cccn4)c3)CC2)CC1,PIENJGUEIIIJTJ-UHFFFAOYSA-N
+rxn:4:218754:225154,COc1cc(-c2cnn(C)c2)cc(-c2csc3c(=O)n(C4CCN(C(=O)OC(C)(C)C)CC4)c(=O)n(CC#N)c23)c1,WRRYNZBDBRLEQO-UHFFFAOYSA-N
+rxn:4:218801:223823,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N4CC(COc5cccnc5)C4)c(C#N)c3)cn2)CC1,MPNUHKALGHJRPM-UHFFFAOYSA-N
+rxn:4:218831:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCN(C(=O)c5cscn5)CC4)nc3)cc2)CC1,JOCJRPMUMCTRRD-UHFFFAOYSA-N
+rxn:4:218867:223133,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3ccccc3N3CCNCC3)c2)no1,NOSNZYJUUVQTGO-UHFFFAOYSA-N
+rxn:4:218867:225600,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2cccc(-c3cccnc3OC3CCCCC3)c2)no1,HGFHOBWTMPEHBL-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:4:218868:225828,CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc(-c3cnc(N4CCCCCC4)nc3)cc2)no1,OZJFAZOJJSWOPP-UHFFFAOYSA-N
+rxn:4:218903:225984,CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cnc(Cl)c(N4CCOCC4)c3)cc2C#N)CC1,BOHHNIQRLNIXMR-UHFFFAOYSA-N
+rxn:4:218917:223118,CCCC(=O)Nc1cccc(-c2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1,DSHUYGWCPKZOJM-UHFFFAOYSA-N
+rxn:4:218919:224686,Cc1cc(=O)n(CC(=O)N2CCC(Oc3ccncc3-c3ccc(C(=O)N4CCCCC4)cc3F)C2)cn1,BICGCIIRADTSOG-UHFFFAOYSA-N
+rxn:4:218922:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cnc(OCC2CCN(c3ncccc3C(F)(F)F)CC2)nc1,UVPXUOINHSWSJY-UHFFFAOYSA-N
+rxn:4:218991:226836,CC(C)n1cc(-c2cn(C)nc2CN2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)n1,WHYUZXOIYVLODW-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:4:218995:224318,Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(-c4ccc(C(=O)N5CCN(C)CC5)c(F)c4)o3)CC2)n1,OQOLXQCEWSLVPI-UHFFFAOYSA-N
+rxn:4:219016:222704,CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cncc(-c3ccc(C4CCNCC4)c(C(F)(F)F)c3)c2)C1,DFSVERKBQPSUQF-UHFFFAOYSA-N
+rxn:4:219038:223812,Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ccncc2-c2cc(F)cc(CN3CCC4(CC3)OCCO4)c2)C1,FTOBPYYHZNIQTG-UHFFFAOYSA-N
+rxn:4:219044:223645,CCOC(=O)C1CCCN(C(=O)c2cccc(-c3cncc(C(=O)N4CCC(Cn5ccnc5C(C)C)CC4)c3)c2)C1,MBPNBNDWIYLDFG-UHFFFAOYSA-N
+rxn:4:219046:226554,CCCOc1cc(F)c(-c2cnc(OCC3CCCN(C4CCN(C5CC5)C4=O)C3)nc2)cc1F,DOMCCYTUTXSYDJ-UHFFFAOYSA-N
+rxn:4:219062:225233,Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(Oc2ncccc2-c2cnc(Cl)c(N3CCCC(C)C3)c2)C1,KACUNSKTVPNKPC-UHFFFAOYSA-N
+rxn:4:219066:226538,CCOC(=O)c1cc(Cl)ccc1-c1cnc(OC2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)nc1,KCRRFLQRXCCHGD-UHFFFAOYSA-N
+rxn:4:219072:222504,O=C(NCc1ccc(F)cc1)c1cc(-c2cccc(-c3nnc(CC(=O)N4CCN(C5CCCCC5)CC4)o3)c2)ccc1F,LLDGAYDBLOYKEI-UHFFFAOYSA-N
+rxn:4:219093:222696,CCC(=O)C1=C(c2ccc(-c3ccc(F)c(C(=O)N4CCC(O)CC4)c3)cc2)N(C(=O)CC)n2cnnc2S1,WRPGZSRRBMOUBW-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:4:219129:223812,Fc1cc(CN2CCC3(CC2)OCCO3)cc(-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)c1,QSRDRGSJRZXIAC-UHFFFAOYSA-N
+rxn:4:219174:224404,O=C(CCc1ccccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(F)c1)N1CCCc2cnc(N3CCOCC3)nc21,LZLGNQADHZGPMM-UHFFFAOYSA-N
+rxn:4:219271:225716,COCCOCc1cc(F)ccc1-c1cnc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1,FVTLNWRFPVTBPR-UHFFFAOYSA-N
+rxn:4:219338:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cnc(OC2CCN(C(=O)N(C)C)CC2)nc1,DFKQVXHSQGHBOI-UHFFFAOYSA-N
+rxn:4:219340:224377,CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)N4CCC(n5cc(C6CC6)nn5)C4)o3)cc2)CC1,VZLXSYGMWGQKPC-UHFFFAOYSA-N
+rxn:4:219385:223670,CCc1ncnc(N2CCC(Oc3ccncc3-c3cccnc3N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1F,HETGUECPRAHQSQ-UHFFFAOYSA-N
+rxn:4:219388:224330,O=C1CCN(C(=O)c2cc(-c3ccc(C(=O)N4CCCN(S(=O)(=O)c5c[nH]cn5)CC4)o3)ccc2Cl)CC1,PDEGAYYANJMEFO-UHFFFAOYSA-N
+rxn:4:219405:224718,CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(OCCN4CCOCC4)nc3)n2)CC1,VAXDWZYIVDQAHE-UHFFFAOYSA-N
+rxn:4:219464:223532,Cc1cccnc1OCC1CCN(c2ncc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2)CC1,SBLZMGYWJIQJNX-UHFFFAOYSA-N
+rxn:4:219473:225313,COc1nc(N2CCOC(C(=O)N3CCCC3)C2)ncc1-c1ccc(N2CCN(C)CC2)nc1F,MEWNKOYGXMGABY-UHFFFAOYSA-N
+rxn:4:219488:224761,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1,NTFNWUPBNYHALW-IBGZPJMESA-N
+rxn:4:219498:227611,COc1nc(N2CCOC(C(=O)N3CCOCC3)C2)ncc1-c1ccnn1C1CCCCO1,VDHKTSHEXKVVJB-UHFFFAOYSA-N
+rxn:4:219532:224022,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CKPYYUYNBSTZPW-UHFFFAOYSA-N
+rxn:4:219535:225213,CN1CCN(c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c(Cl)c2)CC1,QCOLNAKZIFTRSU-UHFFFAOYSA-N
+rxn:4:219535:225228,CN1CCN(c2ccc(-c3ccccc3C(=O)N3CCCN(S(=O)(=O)c4cnn(C)c4)CC3)c(F)c2)CC1,CPXUUAIHYYMEHI-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:4:219642:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnccc1OC1CCN(c2nc3c(cc2C#N)CCC3)C1,MUPQAOZBJLVGMU-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:4:219654:224665,CN1CCN(Cc2cc(F)ccc2-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3s2)CC1,IXDLWFIFCLTVRO-UHFFFAOYSA-N
+rxn:4:219704:223006,CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4ccc(F)c(C5CCNCC5)c4)cc3n2)CC1,UWZBVEHRPBSMPE-UHFFFAOYSA-N
+rxn:4:219719:223844,O=c1n(Cc2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3C(F)(F)F)c2)nc2c(S(=O)(=O)N3CCCCC3)cccn12,HDCGCQCHXBLGMF-UHFFFAOYSA-N
+rxn:4:219748:224666,CN1CCN(Cc2cc(-c3ccc(-c4cc(C(F)(F)F)n5nc(C(=O)N6CCCCCC6)cc5n4)cc3)ccc2F)CC1,YGCAFGZEBWITIA-UHFFFAOYSA-N
+rxn:4:219748:225161,O=C(c1cc2nc(-c3ccc(-c4ccc(F)c(C(=O)N5CCCC5)c4)cc3)cc(C(F)(F)F)n2n1)N1CCCCCC1,JUVUECOGOKNONM-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:4:219904:222585,CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccccc3C(=O)NCCN3CCOCC3)cn2)CC1,LHAVADZOYSICKD-UHFFFAOYSA-N
+rxn:4:219904:224015,Cc1cc(F)c(-c2cnc(C3CCN(S(=O)(=O)N(C)C)CC3)cn2)cc1S(=O)(=O)N1CCOCC1,SIFLSVWMTBHCFQ-UHFFFAOYSA-N
+rxn:4:219917:224405,O=C1CN(S(=O)(=O)c2ccccc2-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)CCN1c1ncc(F)cn1,BBXNRWHFNJXKHN-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:4:219959:223028,CCCNC(=O)c1ccc(F)c(-c2cnc(N3CCOC(C(=O)N4CCOCC4)C3)nc2)c1,CGYXUKYKNVCWFM-UHFFFAOYSA-N
+rxn:4:219975:225093,CCCOc1c(Cl)cc(-c2cnc(N3CCOC(C(=O)N4CCCCC4)C3)nc2)cc1OCC,AQUNRXOLIUSFCB-UHFFFAOYSA-N
+rxn:4:219988:223945,O=C(C1CCCN(c2ncc(-c3ccc(OCCCN4CCOCC4)c(F)c3)cn2)C1)N1CCOCC1,DPUXJCSTMQZMSC-UHFFFAOYSA-N
+rxn:4:220131:224397,N#Cc1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)cc2)cnc1N1CC(N2CC3CCCC3C2)C1,XFXZKZQWTZMIDI-UHFFFAOYSA-N
+rxn:4:220136:225160,O=C(c1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)ccc1Cl)N1CCCC1,VLERTNXICLPCRH-UHFFFAOYSA-N
+rxn:4:220136:225161,O=C(c1cc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)ccc1F)N1CCCC1,RBOODIFPVGDVHC-UHFFFAOYSA-N
+rxn:4:220136:225162,O=C(c1ccc(-c2ccc3ncnc(N4CCN(S(=O)(=O)C5CC5)CC4)c3c2)cc1Cl)N1CCCC1,FIINVHOZDLQYEY-UHFFFAOYSA-N
+rxn:4:220137:222909,CC(C)(C)OC(=O)Nc1cc(-c2ccc3nc(N4CCN(S(=O)(=O)C5CC5)CC4)ncc3c2)ccn1,CJJWXGHWCWTNQN-UHFFFAOYSA-N
+rxn:4:220430:222948,OC1CCN(c2ncc(-c3cnc(N4CCCN(C5CCSC5)CC4)nc3)c(Cl)n2)CC1,OQYIOVHJSVZKAC-UHFFFAOYSA-N
+rxn:4:220444:223534,CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3cnc4[nH]nc(C(=O)N5CCC5)c4c3)c(F)cn2)CC1,GFPDEXPPUKCYRY-UHFFFAOYSA-N
+rxn:4:220941:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cnc(N4CC5C(=O)N(C)C(=O)C5C4)nc3)c(F)c2)CC1,JRJFRMQOSJGNNK-TYXODJIASA-N
+rxn:4:221099:224672,CCN1CCN(c2ccc(-c3cnc(OCC4CCCN(C(=O)c5cn(C)nc5C(F)F)C4)nc3)c(Cl)c2)CC1,CIDRHWDRDJZOEC-UHFFFAOYSA-N
+rxn:4:221110:229052,CCCn1nccc1-c1cnc(N2CCC(OCC#CCN3CCN(C)CC3)CC2)nc1,BQHSSMJNNAQPKH-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:4:221165:223506,CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-c3cnc(N4CCC(COc5ccc(C6CC6)nn5)C4)nc3)c2)CC1,YWKMSGYTLMWVLA-UHFFFAOYSA-N
+rxn:4:221175:228260,CCN1CCN(C(=O)N2CCC(Oc3ncc(-c4cccc(C(C)(F)F)c4)cn3)C2)C(=O)C1=O,CKGWVMVSIZXXAA-UHFFFAOYSA-N
+rxn:4:221176:225160,Cc1nc(N2CCCC(COc3ncc(-c4ccc(Cl)c(C(=O)N5CCCC5)c4)cn3)C2)cc(C(F)(F)F)n1,SPLXCGZGUPZDBW-UHFFFAOYSA-N
+rxn:4:221180:222696,Cc1cc(C(=O)N2CCC(COc3ncc(-c4ccc(F)c(C(=O)N5CCC(O)CC5)c4)cn3)CC2)nn1C,RBSWFKLSTHXPQK-UHFFFAOYSA-N
+rxn:4:221181:222546,Cc1cc(C(=O)N2CCCC(COc3ncc(-c4ccc(OCCNC5CCCCC5)c(F)c4)cn3)C2)nn1C,FANQGEGYSPBGEU-UHFFFAOYSA-N
+rxn:4:221185:222720,Cc1cc(C)c(C#N)c(N2CCC(COc3ncc(-c4ccc(N5CCNCC5)cc4C(F)(F)F)cn3)CC2)n1,QUGQAQKFMYEFBC-UHFFFAOYSA-N
+rxn:4:221190:223682,O=C(c1ccc(-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)o1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1,DTGCKZMCFYJCMA-UHFFFAOYSA-N
+rxn:4:221201:224959,C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(-c3ccc(OCC4CCCCO4)cc3)cc2)CCN1c1ccc(C(F)(F)F)cn1,CUQGURGAYSIZDL-ZCQJSQKNSA-N
+rxn:4:221227:222634,O=C(c1ccc2nccnc2c1)N1CCCC(COc2ncc(-c3ccc(OCCNC4CCCC4)c(F)c3)cn2)C1,KFAGNFSPMQMYGM-UHFFFAOYSA-N
+rxn:4:221375:224196,CCN1CCN(Cc2cc(F)cc(-c3cnc(OCC4CCCN(c5cc(=O)n(C)cn5)C4)nc3)c2)CC1,NNHBLFXLDWOEPV-UHFFFAOYSA-N
+rxn:4:221394:222800,Cc1cc(-c2cnc(N3CCC(Cn4nc(C5CC5)ccc4=O)CC3)nc2)cc(C)c1S(=O)(=O)NC(C)C,MXCFKZDRXYAVPN-UHFFFAOYSA-N
+rxn:4:221416:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccc(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)o1,FAZGESYUWBIFTP-UHFFFAOYSA-N
+rxn:4:221427:222870,CC(C)CNC(=O)c1cc(F)cc(-c2ccccc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1,UEURCMJVIQVSAK-UHFFFAOYSA-N
+rxn:4:221429:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1,PQCYXWJZLZDCBZ-UHFFFAOYSA-N
+rxn:4:221432:224196,CCN1CCN(Cc2cc(F)cc(-c3cccc(C(=O)N4CCN(c5nc(C)cc(N6CCCC6)n5)CC4)c3)c2)CC1,BAIRAQYKDYAQKY-UHFFFAOYSA-N
+rxn:4:221439:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(Cl)c(C(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)c1,XVVNQJNFATZEGE-UHFFFAOYSA-N
+rxn:4:221439:227578,COc1cc(OC)c(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)c2)cc1Cl,KGWOQBLPWYGZCM-UHFFFAOYSA-N
+rxn:4:221449:222975,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(C(=O)NC5CC5)cc4C)cc3)CC2)n1,BLXNHIYQXCXNMM-UHFFFAOYSA-N
+rxn:4:221449:223987,Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(Oc5ccc(C(F)(F)F)cc5)nc4)cc3)CC2)n1,BZACYSZGHIVXDW-UHFFFAOYSA-N
+rxn:4:221498:225450,CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]cc(-c4ccc(C(=O)C5CCCC5)cc4)c23)CC1,LQWYFVMNFGXESZ-UHFFFAOYSA-N
+rxn:4:221618:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cnc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)nc1,GHXXTWMVAGKYGV-UHFFFAOYSA-N
+rxn:4:221685:224322,CC1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)N4C5CCC4CC(n4nccn4)C5)c3)cc2)CC1,PFDNJMSSHWNCBG-UHFFFAOYSA-N
+rxn:4:221695:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(c4cc(C)nc5ccnn45)C3)ccc2OC)CC1,BAZGFAQOVABUKA-UHFFFAOYSA-N
+rxn:4:221726:222987,Cc1nc(C2CCNCC2)ccc1-c1cnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)nc1,POLUKHSRSWWWAA-UHFFFAOYSA-N
+rxn:4:221731:222540,O=C(NCCN1CCCCC1)c1cccc(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)c1,UOFXAXBROYIBPJ-UHFFFAOYSA-N
+rxn:4:221780:224613,CN(C(=O)OC(C)(C)C)c1cccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5C4CCCCC4)n(C)c3=O)cc2)c1,CYCDRIILJZTHGH-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:4:221832:224690,O=C1CCN(Cc2ccc(-c3cnc(N4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)nc3)c(F)c2)CC1,CRBMHTFZIMMPSN-UHFFFAOYSA-N
+rxn:4:221917:223671,CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)c5)c4)CC3)nn2)n1,GCQDNKSOVMRGNT-UHFFFAOYSA-N
+rxn:4:221943:224589,CC1CCN(Cc2cc(F)ccc2-c2cncc(C(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)c2)CC1,ICZKRAGOFCMEEK-UHFFFAOYSA-N
+rxn:4:221960:224683,O=C(c1cc(F)cc(-c2cccc(C(=O)N3CCC(n4cc(-c5nc(C6CC6)no5)nn4)CC3)c2)c1)N1CCCCC1,SGHVZTSPSSSLAE-UHFFFAOYSA-N
+rxn:4:221965:227542,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc(F)cc5C(=O)OC)cc4)CC3)nn2)CC1,WNUZLHUGOHMVQA-UHFFFAOYSA-N
+rxn:4:221965:228794,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5ccc([Si](C)(C)C)s5)cc4)CC3)nn2)CC1,NIHSIKNDGDGCDM-UHFFFAOYSA-N
+rxn:4:221965:228803,CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(-c5cc([Si](C)(C)C)cs5)cc4)CC3)nn2)CC1,KGORYMLKLUDGLG-UHFFFAOYSA-N
+rxn:4:221979:225168,CCc1ccc(N2C(=O)C3N=NN(Cc4nc(-c5ccc(-c6ccc(CN7CCOCC7)c(F)c6)cc5)no4)C3C2=O)cc1,ZGLWZSRWUARRRW-UHFFFAOYSA-N
+rxn:4:222009:224192,CCN1CCN(Cc2ccc(F)cc2-c2cnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)nc2)CC1,NQNQXZKAJQEWFH-UHFFFAOYSA-N
+rxn:4:222049:223982,CCS(=O)(=O)N1CCN(c2ccc(-c3ccccc3C(=O)N3CCN(c4ccc(-n5nc(C)cc5C)nn4)CC3)cc2)CC1,XHQFUAUIOLLHMO-UHFFFAOYSA-N
+rxn:4:222057:224716,Cc1nn(-c2ccc(N3CCN(C(=O)c4ccccc4-c4ccc(N(C)C(=O)OC(C)(C)C)nc4)CC3)nn2)c(C)c1C,YOTUDPIKGSFTQI-UHFFFAOYSA-N
+rxn:4:222058:224485,Cc1nn(-c2ccc(N3CCN(C(=O)c4cccc(-c5ccn([Si](C(C)C)(C(C)C)C(C)C)c5)c4)CC3)nn2)c(C)c1C,YZLDXJGKVYSZJZ-UHFFFAOYSA-N
+rxn:4:222062:222833,Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(NC(=O)CCC(C)C)c4)cc3)CC2)n1,GMPXZGRTBZAADT-UHFFFAOYSA-N
+rxn:4:222062:228436,COc1ccc(F)c(Cl)c1-c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)cc1,ITYBPXSIDOUUEO-UHFFFAOYSA-N
+rxn:4:222089:222916,O=C(NC1=NCCS1)c1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(F)cc6)C(=O)C54)n3)cc2)c1,NGDSEJHZLHJKCJ-UHFFFAOYSA-N
+rxn:4:222089:224572,CC1CCCN(c2ccc(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(C#N)c2)C1,FYSRBEVNAGPKGO-UHFFFAOYSA-N
+rxn:4:222108:223095,CC(=O)Nc1cccc(-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(F)c6)C(=O)C54)n3)cc2)c1[N+](=O)[O-],HNJVBEPQQWELDT-UHFFFAOYSA-N
+rxn:4:222194:224194,CCN1CCN(Cc2ccc(-c3cnc(N4CCN(c5nc(C(C)(C)C)nc6c5CCC6)CC4)nc3)cc2Cl)CC1,FQUROORPPQVIPT-UHFFFAOYSA-N
+rxn:4:222273:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cncc(C(=O)N(C)C4CN(c5ccc6nnc(C7CCC7)n6n5)C4)c3)c(F)c2)CC1,YAHSATUZSDBBAY-SOAUALDESA-N
+rxn:4:222302:224011,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(OCC4CCCN(c5ncnc6c5ncn6C)C4)nc3)cc2F)CC1,BPGHZWCIQIGNCF-UHFFFAOYSA-N
+rxn:4:222332:222518,CC(C)(C)OC(=O)Nc1nc2c(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)ccc(F)c2s1,SWYDXIMNAFEANP-UHFFFAOYSA-N
+rxn:4:222332:222852,OC1CCN(Cc2cccc(-c3cnc(N4CCN(c5cc(N6CCOCC6)ncn5)CC4)nc3)c2)CC1,LIQZNZVAFDISNF-UHFFFAOYSA-N
+rxn:4:222335:222740,Cc1cc(N2CCN(c3ncc(-c4cc(C(C)C)nc(C5CCCNC5)c4)cn3)CC2)nc(N2CCCC2)n1,PAORXYZLYFWYTA-UHFFFAOYSA-N
+rxn:4:222336:223761,Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(-c5ccc(C6CCCN6C(=O)OC(C)(C)C)cc5)cn4)CC3)n2)n1,XJZZUCLNGWVPTD-UHFFFAOYSA-N
+rxn:4:222337:222741,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cn3)CC2)n1,STMNIKQVTPTGGE-UHFFFAOYSA-N
+rxn:4:222337:225655,Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(-c4cncc(N5CCC(C)CC5)c4)cn3)CC2)n1,ZVUIFJNHXAWVLJ-UHFFFAOYSA-N
+rxn:4:222362:224009,COc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCOCC1,YSKJIASBDRQXTG-UHFFFAOYSA-N
+rxn:4:222389:206670,COc1ncc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)n1C1CCCCC1,AMFVTFPKHGRYFM-UHFFFAOYSA-N
+rxn:4:222389:215839,CN1CCC(Cn2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cn2)CC1,OHBKUXIBWWOKTJ-UHFFFAOYSA-N
+rxn:4:222540:203835,CS(=O)(=O)N1N=C(c2ccc(-c3cccc(C(=O)NCCN4CCCCC4)c3)cc2)CC1c1ccco1,KWTIXZJGJXIGJU-UHFFFAOYSA-N
+rxn:4:222541:218824,CN(CC1CN(c2ncc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cn2)C1)S(=O)(=O)C1CC1,PDFIYIKTXBCRIR-UHFFFAOYSA-N
+rxn:4:222630:186954,COC(=O)C1CN(Cc2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2C)C1,VUQIDDVTOPOAFA-UHFFFAOYSA-N
+rxn:4:222810:215127,CC(C)(C)OC(=O)Nc1cc(-c2ccc3nc(N4CCN(C(=O)C5CC5)CC4)sc3c2)c(Cl)cn1,PVEUNFHRENLYGS-UHFFFAOYSA-N
+rxn:4:222851:207890,CCc1cc(-c2cnn(CC34CC5CC(CC(C5)C3)C4)c2C)cc(C2CCNCC2)n1,WRBSUHZBEVEAHS-UHFFFAOYSA-N
+rxn:4:222950:215989,CONS(=O)(=O)c1cc(-c2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)ccc1OC,ZNMHFSOBVKMFBL-UHFFFAOYSA-N
+rxn:4:223002:187916,COc1cc(OC)c(C23CCN(C)CC2O3)c(OC)c1-c1ccc(C2CCNCC2)cc1F,DBNOMVGXYWNVJA-UHFFFAOYSA-N
+rxn:4:223071:204054,CCS(=O)(=O)NCc1ccc(-c2ccc(C(=O)N3CCCN(C4CCOC4)CC3)o2)cc1,AKQYPJCYJFBTJG-UHFFFAOYSA-N
+rxn:4:223072:183928,CCCNS(=O)(=O)c1ccc(-c2ccc(C(C)N(C(=O)OC(C)(C)C)C3CC3)cc2)cc1,ADXLCAPEEXSLPF-UHFFFAOYSA-N
+rxn:4:223080:187492,CC(C)NS(=O)(=O)c1ccc(-c2cccc(C3CN(C(=O)OC(C)(C)C)CCO3)c2)cc1,BXCCTBFOQJUCHB-UHFFFAOYSA-N
+rxn:4:223102:187417,CC(C)(C)NS(=O)(=O)c1sccc1-c1ccccc1C1CCN(C(=O)OC(C)(C)C)C1,QBDNRFXRUBNBCO-UHFFFAOYSA-N
+rxn:4:223840:206714,COc1ccc(-c2ccc(C3CCCN3S(C)(=O)=O)nc2)cc1S(=O)(=O)N1CCN(C)CC1,YTXLJPIJYVKLRM-UHFFFAOYSA-N
+rxn:5:176872:225941:225514,COC(=O)c1cc(OC)c(-c2cnc(C3CC3)c(C(F)(F)F)c2)c(-c2cccc3c2OCC2(CC2)CO3)c1,IURWXSOECZRHTC-UHFFFAOYSA-N
+rxn:5:177180:226662:225833,CCOC(=O)c1c(C)cc(-c2ccc(N3CCN(C)CC3)s2)cc1-c1ccnc(N2CCCCC2)c1F,DIKSIMYZOZWRAO-UHFFFAOYSA-N
+rxn:5:177190:222984:226661,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCN(C)CC3)cs2)c(-c2ccc(CN3CCC(O)C3)cc2)c1,DEWHCVPJKTZTLQ-UHFFFAOYSA-N
+rxn:5:177190:225464:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cccc(N3CCCC(C)C3)c2)c1,OQIVIUFXLUBANK-UHFFFAOYSA-N
+rxn:5:177190:225472:225455,CCS(=O)(=O)Cc1ccc(-c2cc(N3CCCCC3)ccc2C)c(-c2cccc(N3CCCCC3C)c2)c1,DVOQUTQANCFPQJ-UHFFFAOYSA-N
+rxn:5:177190:225583:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2cccc(C(=O)N3CCCC3)c2)c1,VHRCFKSNQFBERR-UHFFFAOYSA-N
+rxn:5:177190:225621:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2ccc(OC3CCOC3)c(C)c2)c1,ZGTSZSMAUMELRF-UHFFFAOYSA-N
+rxn:5:177190:225633:225583,CCS(=O)(=O)Cc1ccc(-c2cccc(C(=O)N3CCCC3)c2)c(-c2ccc(N3CCCCCC3)nc2)c1,PMJYXODFNRWACH-UHFFFAOYSA-N
+rxn:5:177190:225805:222990,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCC(O)CC3)cc2)c(-c2ccc(C(C)N3CCOCC3)s2)c1,XBBSHPUQKKGDJV-UHFFFAOYSA-N
+rxn:5:177190:225985:225833,CCS(=O)(=O)Cc1ccc(-c2ccnc(N3CCCCC3)c2F)c(-c2cccc(N3CCCS3(=O)=O)c2)c1,MRUSTVWZALHOAC-UHFFFAOYSA-N
+rxn:5:177190:226446:223054,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCC(O)C3)s2)c(-c2ccc(C3CCOC3)nc2C)c1,LRWYXZGWQQWKLO-UHFFFAOYSA-N
+rxn:5:177190:226447:225805,CCS(=O)(=O)Cc1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2ccnc(C3CCOCC3)c2)c1,MWQGFSGIFNKEKC-UHFFFAOYSA-N
+rxn:5:177192:223007:226662,CCOC(=O)c1ccc(-c2ccc(N3CCN(C)CC3)s2)c(-c2cc(F)cc(C3CCNCC3)c2)c1C,USYUVPCPZUAHSD-UHFFFAOYSA-N
+rxn:5:177373:226583:227803,CN(C)S(=O)(=O)n1nccc1-c1ccc(OCC2OCCO2)c(-c2ccc(CN3CCOCC3)s2)c1,XFVZDMSJSWEOFO-UHFFFAOYSA-N
+rxn:5:177373:226835:226735,CC(C)n1nc(C(F)(F)F)cc1-c1cc(-c2cc(C#N)cc(C(F)(F)F)c2)ccc1OCC1OCCO1,MKCSDXDMPHPPCP-UHFFFAOYSA-N
+rxn:5:177373:227803:223064,CN(C)S(=O)(=O)n1nccc1-c1cc(-c2ccc(C3CCNCC3)nc2F)ccc1OCC1OCCO1,GHKFDIKILGXTEF-UHFFFAOYSA-N
+rxn:5:177373:227804:225671,O=[N+]([O-])c1cc(-c2cc(-c3cc(C4CCCCC4)ncc3F)ccc2OCC2OCCO2)c([N+](=O)[O-])s1,SFAUTZHVTSTASR-UHFFFAOYSA-N
+rxn:5:177729:223138:225637,CN1CCN(c2ccccc2-c2cc(-c3ccnc(C4CCNCC4)c3)ccc2C(=O)OC(C)(C)C)CC1,TXEWYIILDUTMHX-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:5:177730:226794:225616,CC(C)(C)OC(=O)c1cc(-c2cnc(N3CCSCC3)nc2)ccc1-c1ccccc1C(=O)N1CCCC1,WACYUYKIMZQAJC-UHFFFAOYSA-N
+rxn:5:177731:223018:226334,Cc1cc(C(=O)N(C)C)cc(-c2ccc(C(=O)OC(C)(C)C)c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c2)c1,YYZPORBZRITVJG-UHFFFAOYSA-N
+rxn:5:177732:226068:225871,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(C(=O)OC(C)(C)C)cc1-c1cccc(N2C(=O)C=CC2=O)c1,RACGPLMZEJSOEY-UHFFFAOYSA-N
+rxn:5:177733:223054:226364,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(N4CCCCC4)nc3)c2)s1)N1CCC(O)C1,FUGIUSGPUXDJRB-UHFFFAOYSA-N
+rxn:5:177733:223054:226643,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3ccc(N4CCOCC4)nc3)c2)s1)N1CCC(O)C1,AWAMWYSAIFJQNO-UHFFFAOYSA-N
+rxn:5:177733:223294:225632,CN1CCN(c2cccc(-c3cc(C(=O)OC(C)(C)C)cc(-c4csc(N5CCNCC5)n4)c3)c2)CC1,DTRQXUTUUPCBIB-UHFFFAOYSA-N
+rxn:5:177733:226330:225982,CC(c1ccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cnc(N4CCOCC4)cc3F)c2)s1)N1CCCC1,VJMGTFVUWCDKHT-UHFFFAOYSA-N
+rxn:5:177736:223143:225639,CC1CCN(c2ncccc2-c2ccc(C(=O)OC(C)(C)C)cc2-c2cccc(N3CCC(O)C3)c2)CC1,PCDGTWGKCYIIFO-UHFFFAOYSA-N
+rxn:5:177736:225820:225617,CC(C)(C)OC(=O)c1ccc(-c2ccc(OC3CCCCO3)cc2)c(-c2c(C3CC3)cccc2C(F)(F)F)c1,MCXXOGKCJIDBMA-UHFFFAOYSA-N
+rxn:5:177736:226144:225514,CC(C)(C)OC(=O)c1ccc(-c2cccc3c2OCC2(CC2)CO3)c(-c2ccc(C#C[Si](C)(C)C)cc2)c1,FJHQGRIBGXGQMO-UHFFFAOYSA-N
+rxn:5:177737:223139:223054,CC(c1ccc(-c2ccc(-c3ccc(C4CCNCC4)nc3)c(C(=O)OC(C)(C)C)c2)s1)N1CCC(O)C1,LBJGPDSQMWIPPA-UHFFFAOYSA-N
+rxn:5:177737:225438:222996,CC(c1ccc(-c2ccc(-c3ccc(F)cc3C3CCCNC3)cc2C(=O)OC(C)(C)C)cc1)N1CCCC1,MPSXEEABSOPYFE-UHFFFAOYSA-N
+rxn:5:177737:225976:226661,CN1CCN(c2csc(-c3ccc(-c4ccnc(N5CCOCC5)c4F)c(C(=O)OC(C)(C)C)c3)c2)CC1,ZPLVTSRQXVJDFM-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:5:177850:223202:222998,CCOc1ccc(-c2ccc(C3(O)CCC3)cc2)c(C2OCCO2)c1-c1cc(F)cc(C2CCCNC2)c1,CSVCGOMICCZOGR-UHFFFAOYSA-N
+rxn:5:177891:223135:223288,CNS(=O)(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cccnc2C2CCCNC2)c1,UGSIOWJAJIXZNK-UHFFFAOYSA-N
+rxn:5:177891:223136:222405,O=C1NC(=O)C(c2cccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccncc3C3CCCNC3)c2)N1,BEGXQAAPTFSKNF-UHFFFAOYSA-N
+rxn:5:177891:223138:222419,NS(=O)(=O)c1cccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(C3CCNCC3)c2)c1,ODBFKXYPANYXQM-UHFFFAOYSA-N
+rxn:5:177891:223139:223146,O=C(SC1CS(=O)(=O)CC1c1cccc(C2CNCCO2)c1)c1ccccc1-c1ccc(C2CCNCC2)nc1,YORHKMACGPZQBH-UHFFFAOYSA-N
+rxn:5:177891:223140:227278,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnc(C4CCCNC4)c3)cn2)CC1,GLWQGTIPSYBJIQ-UHFFFAOYSA-N
+rxn:5:177891:223146:227278,N#CC1(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3cccc(C4CNCCO4)c3)cn2)CC1,DSHJDNFYPGNTCJ-UHFFFAOYSA-N
+rxn:5:177891:223189:223138,CS(=O)(=O)Nc1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCNCC3)c2)c(F)c1,WLODQLIOHPGACD-UHFFFAOYSA-N
+rxn:5:177891:223200:226649,O=C(SC1CS(=O)(=O)CC1c1cccnc1N1CCOCC1)c1ccccc1-c1ccc(C2CCNC2)cc1,HYMYKXDZPJFPLC-UHFFFAOYSA-N
+rxn:5:177891:223241:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cncc(C3CCNC3)c2)s1)N1CCOCC1,LOTWZYPDFABKTJ-UHFFFAOYSA-N
+rxn:5:177891:223384:226447,CNC(=O)c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2ccnc(C3CCOCC3)c2)cn1,PNWGZYXBGQCKFI-UHFFFAOYSA-N
+rxn:5:177891:225607:223146,CC(c1ccc(-c2ccccc2C(=O)SC2CS(=O)(=O)CC2c2cccc(C3CNCCO3)c2)s1)N1CCCCC1,NWVBTTVFDAWMHS-UHFFFAOYSA-N
+rxn:5:177891:225799:228306,CC(C)Sc1ncc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cncc(OC3CCOCC3)c2)cn1,MEVUJKPBIWAIDO-UHFFFAOYSA-N
+rxn:5:177891:225943:227438,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCOC2)c1)c1ccccc1-c1ccc(C(=O)N2CCOCC2)s1,ZVQCWIAKZJSYPB-UHFFFAOYSA-N
+rxn:5:177891:226645:223189,CS(=O)(=O)Nc1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccnc(N3CCOCC3)c2)c(F)c1,SFPQICLGHCMHCQ-UHFFFAOYSA-N
+rxn:5:177891:226665:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1cnc(C2CCCOC2)nc1,ABVWFDQVOBCEHG-UHFFFAOYSA-N
+rxn:5:177891:226665:226586,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOC2)c1)c1ccccc1-c1cnc(C2CCCOC2)nc1,YFGQYPNOZQWRQN-UHFFFAOYSA-N
+rxn:5:177891:226863:223063,O=C(SC1CS(=O)(=O)CC1c1cc(F)nc(C2CCNCC2)c1)c1ccccc1-c1ccc(OC(F)(F)F)cc1F,LHIAMPZAUBLQHL-UHFFFAOYSA-N
+rxn:5:177891:226959:225805,CC(c1ccc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc3c(c2)CC(C)(C)O3)s1)N1CCOCC1,QJCXGQJHWNWWDB-UHFFFAOYSA-N
+rxn:5:177891:227404:227654,O=C(SC1CS(=O)(=O)CC1c1ccc(C2OCCO2)nc1)c1ccccc1-c1cc(N2CCCCC2)cs1,RXCQSOPPZLZYBJ-UHFFFAOYSA-N
+rxn:5:177891:227426:223242,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNC2)c1)c1ccccc1-c1ccc(C2CCCO2)nc1,KDDFVQLRCUZFOS-UHFFFAOYSA-N
+rxn:5:177891:227437:223139,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCNCC2)nc1)c1ccccc1-c1ccnc(C2CCCO2)c1,YJRZVXWMRZYEDS-UHFFFAOYSA-N
+rxn:5:177891:227437:226643,O=C(SC1CS(=O)(=O)CC1c1ccc(N2CCOCC2)nc1)c1ccccc1-c1ccnc(C2CCCO2)c1,WNUHDPWTLIHQDV-UHFFFAOYSA-N
+rxn:5:177891:227501:223135,O=C(SC1CS(=O)(=O)CC1c1cccnc1C1CCCNC1)c1ccccc1-c1ccc(C=C[N+](=O)[O-])cc1,QILBFWMZOJVCLO-UHFFFAOYSA-N
+rxn:5:177891:227517:223135,O=C(SC1CS(=O)(=O)CC1c1cccnc1C1CCCNC1)c1ccccc1-c1ccc(OC2COC2)nc1,WHHXBENLHJSKTH-UHFFFAOYSA-N
+rxn:5:177891:227517:226449,CC1(c2ccccc2C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2ccc(OC3COC3)nc2)OCCO1,GOFBBMSNEPIZSN-UHFFFAOYSA-N
+rxn:5:177891:227517:227449,O=C(SC1CS(=O)(=O)CC1c1ccc(C2CCOCC2)s1)c1ccccc1-c1ccc(OC2COC2)nc1,GYQYXCGJTVQLOW-UHFFFAOYSA-N
+rxn:5:177891:227517:227517,O=C(SC1CS(=O)(=O)CC1c1ccc(OC2COC2)nc1)c1ccccc1-c1ccc(OC2COC2)nc1,SELJZUNLTHRKHD-UHFFFAOYSA-N
+rxn:5:177891:227517:227626,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCOC2)nc1)c1ccccc1-c1ccc(OC2COC2)nc1,HCIRMGIAXJHHDY-UHFFFAOYSA-N
+rxn:5:177891:227611:226320,N#CC1(c2ccc(F)c(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccnn3C3CCCCO3)c2)CC1,RIHFDXHJAAZJQQ-UHFFFAOYSA-N
+rxn:5:177891:227626:223242,O=C(SC1CS(=O)(=O)CC1c1ccnc(C2CCNC2)c1)c1ccccc1-c1cnc(C2CCOC2)nc1,GATZZHGKCUDSPN-UHFFFAOYSA-N
+rxn:5:177891:227654:225803,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOCC2)c1)c1ccccc1-c1ccc(C2OCCO2)nc1,UMSGRWDWMDJWAX-UHFFFAOYSA-N
+rxn:5:177891:227654:226662,CN1CCN(c2ccc(C3CS(=O)(=O)CC3SC(=O)c3ccccc3-c3ccc(C4OCCO4)nc3)s2)CC1,DKIVYFGUEVIEPI-UHFFFAOYSA-N
+rxn:5:177891:227654:226665,O=C(SC1CS(=O)(=O)CC1c1cnc(C2CCCOC2)nc1)c1ccccc1-c1ccc(C2OCCO2)nc1,FCAVPKNAFMVFIJ-UHFFFAOYSA-N
+rxn:5:177891:227657:228349,O=C(SC1CS(=O)(=O)CC1c1cnn(C2CCOC2)c1)c1ccccc1-c1ccc(N2CCOCC2)s1,LKLZJJJQSSCBIE-UHFFFAOYSA-N
+rxn:5:177891:228211:227432,Cc1nc(C2COC2)ccc1C1CS(=O)(=O)CC1SC(=O)c1ccccc1-c1cc(N2CCCC2)cs1,TVBUADFEJRXXPY-UHFFFAOYSA-N
+rxn:5:177891:228631:226586,O=C(SC1CS(=O)(=O)CC1c1ccnc(OC2CCOC2)c1)c1ccccc1-c1ccsc1C1CCC1,CPHWTONMXRUXRQ-UHFFFAOYSA-N
+rxn:5:177891:228878:226335,N#Cc1cc(C2CS(=O)(=O)CC2SC(=O)c2ccccc2-c2cnn(C3COC3)c2)ccc1C1COC1,GXKCUEKVFQLIDT-UHFFFAOYSA-N
+rxn:5:178118:227507:222959,Cc1cc(-c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)c(OCC3CCCCO3)c2)ccc1C1CCNCC1,MZCYZDGABWXLJV-UHFFFAOYSA-N
+rxn:5:178118:227683:223061,N#Cc1ccc(-c2ccc(-c3cc(C4CCNCC4)ncc3F)cc2OCC2CCCCO2)c([N+](=O)[O-])c1,SCWFADXFXZVEFL-UHFFFAOYSA-N
+rxn:5:178119:226582:226334,Cc1cc(C(=O)N(C)C)cc(-c2c(C)cc(C(=O)OC(C)(C)C)cc2-c2ccc(C(=O)N(C)C)cc2F)c1,WLVCJTODEIBWJC-UHFFFAOYSA-N
+rxn:5:178122:227507:222958,Cc1ccc(-c2cc(-c3cccc(C=C[N+](=O)[O-])c3)ccc2COC2CCCCO2)cc1C1CCNCC1,LYOXQUKYFUIDAX-UHFFFAOYSA-N
+rxn:5:178225:222404:227803,CN(C)S(=O)(=O)n1nccc1-c1c(OCC2CCCCC2)cccc1-c1ccc(C2NC(=O)NC2=O)cc1,OASJRNJHUARQSL-UHFFFAOYSA-N
+rxn:5:178226:223294:227803,CN(C)S(=O)(=O)n1nccc1-c1cccc(OCC2CCCCC2)c1-c1csc(N2CCNCC2)n1,ZPVGKKGQLYVGCR-UHFFFAOYSA-N
+rxn:5:178278:225666:223062,Cc1cc(S(=O)(=O)Oc2ccc(-c3cnc(C4CCNCC4)cc3F)cc2)c(C)cc1-c1cc(F)cc(N2CCCCC2)c1,ALSPCLCPDWGQQG-UHFFFAOYSA-N
+rxn:5:178278:225666:225633,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)c(C)cc1-c1cc(F)cc(N2CCCCC2)c1,IIQGNCIKZMVDFB-UHFFFAOYSA-N
+rxn:5:178295:222404:227705,COC(=O)C1(c2cc(-c3cnc(C(F)F)cc3OC)ccc2-c2ccc(C3NC(=O)NC3=O)cc2)CCC(=O)CC1,PJKCFQVWTCMFBV-UHFFFAOYSA-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:5:178295:222405:225934,COC(=O)C1(c2cc(-c3cnc(C(F)(F)F)c(C4CC4)c3)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,GKTJHLRHADLCQH-UHFFFAOYSA-N
+rxn:5:178295:222405:227926,COC(=O)C1(c2cc(-c3ccc(SC(C)C)cc3)ccc2-c2cccc(C3NC(=O)NC3=O)c2)CCC(=O)CC1,MBWGGTUEWYBIMP-UHFFFAOYSA-N
+rxn:5:178295:222998:229270,COC(=O)C1(c2cc(-c3cnc(C#N)s3)ccc2-c2cc(F)cc(C3CCCNC3)c2)CCC(=O)CC1,ZSNDAFXKKUSJJH-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:5:178295:223113:227283,COC(=O)C1(c2cc(-c3cc(C#N)nc(C4CC4)c3)ccc2-c2ccc3c(c2)C(C)(C)C(=O)N3)CCC(=O)CC1,MCVCVMLXXXHGFX-UHFFFAOYSA-N
+rxn:5:178295:223141:228480,COC(=O)C1(c2cc(-c3cc(F)ccc3[N+](=O)[O-])ccc2-c2cncc(C3CCNCC3)c2)CCC(=O)CC1,JALGBXOSTSYCQD-UHFFFAOYSA-N
+rxn:5:178295:223269:227818,CCC(C)c1cccc(-c2ccc(-c3ccc(NC(C)=O)c(F)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,REBGJHREATYYHX-UHFFFAOYSA-N
+rxn:5:178295:223269:227898,COC(=O)C1(c2cc(-c3cncc(CC(C)C)c3)ccc2-c2ccc(NC(C)=O)c(F)c2)CCC(=O)CC1,XQGCXVABDVBMJQ-UHFFFAOYSA-N
+rxn:5:178295:223285:226973,COC(=O)C1(c2cc(-c3ccc4c(c3)C(C)(C)CO4)ccc2-c2ccccc2NS(C)(=O)=O)CCC(=O)CC1,QXHGIICEKGMVPI-UHFFFAOYSA-N
+rxn:5:178295:223311:228140,COC(=O)C1(c2cc(-c3ccc(C(C)N(C)C)s3)ccc2-c2cccc(C3CNC3)c2)CCC(=O)CC1,SHUWNLIKYGINNE-UHFFFAOYSA-N
+rxn:5:178295:223358:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2ccc(NC(C)=O)cc2)CCC(=O)CC1,MJKOEVPJLOURFD-UHFFFAOYSA-N
+rxn:5:178295:226058:228507,CCCc1cccc(-c2ccc(-c3c(C(C)C)cccc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,QVRGBLMIKFPHAY-UHFFFAOYSA-N
+rxn:5:178295:226059:228506,CCCc1ccccc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,YIIUPQZKBBNGJV-UHFFFAOYSA-N
+rxn:5:178295:226059:228556,COCc1ccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,VZSGUUOVLCDYQY-UHFFFAOYSA-N
+rxn:5:178295:226059:228770,COC(=O)C1(c2cc(-c3cncc(C)c3OC)ccc2-c2ccc(C(C)C)cc2C(C)C)CCC(=O)CC1,MTXZRCVUQVHFOU-UHFFFAOYSA-N
+rxn:5:178295:226211:228566,COC(=O)C1(c2cc(-c3ccsc3CC(C)C)ccc2-c2ccc3c(c2)CCN3C(C)=O)CCC(=O)CC1,PIFUUJXIYRVGLE-UHFFFAOYSA-N
+rxn:5:178295:226461:226062,COC(=O)C1(c2cc(-c3cc(C(C)C)cc(C(C)C)c3)ccc2-c2cncc3c2ccn3C(C)=O)CCC(=O)CC1,WBYCHQVOWRCXJA-UHFFFAOYSA-N
+rxn:5:178295:226582:228550,CCCc1cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,CJXRDQNKFYDNPL-UHFFFAOYSA-N
+rxn:5:178295:226603:228557,COCc1cccc(-c2ccc(-c3cc(C(=O)OC)cc(F)c3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,UCCIEZHHTCJCJI-UHFFFAOYSA-N
+rxn:5:178295:226910:226926,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,BOXXTUJCVXHQHH-UHFFFAOYSA-N
+rxn:5:178295:226912:227821,CCc1c(C)cc(C)cc1-c1ccc(-c2cc(C)cc(CC(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,KNBZOXHICVMFBU-UHFFFAOYSA-N
+rxn:5:178295:226973:226912,COC(=O)C1(c2cc(-c3cc(C)cc(CC(C)C)c3)ccc2-c2ccc3c(c2)C(C)(C)CO3)CCC(=O)CC1,HFBJSQHCSCKEEZ-UHFFFAOYSA-N
+rxn:5:178295:227051:227908,CCC(=O)c1ccc(-c2ccc(-c3cccnc3CC(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,ZMVLZFJRODECAA-UHFFFAOYSA-N
+rxn:5:178295:227075:228222,COC(=O)C1(c2cc(-c3cc(F)nc(C(C)C)c3)ccc2-c2cc(OC)cc(C(C)C)c2)CCC(=O)CC1,PZEXIRJFWDRDKL-UHFFFAOYSA-N
+rxn:5:178295:227076:227823,CCC(C)c1ccc(F)c(-c2ccc(-c3ccccc3C(C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,WXXIATBJGFSSAF-UHFFFAOYSA-N
+rxn:5:178295:227076:227979,CCC(C)c1ccc(F)c(-c2ccc(-c3c(C)cc(C)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,UDOWZAPXIFKQKM-UHFFFAOYSA-N
+rxn:5:178295:227077:223357,CCC(C)c1ccc(-c2ccc(-c3ccccc3NC(C)=O)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,RHESFPNXRRGXAS-UHFFFAOYSA-N
+rxn:5:178295:227077:227084,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)nc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,OUMCRRHQRSOIRK-UHFFFAOYSA-N
+rxn:5:178295:227077:228721,CCC(C)c1ccc(-c2ccc(-c3ccnn3C(C)(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)c1,CCJGBKXPNLLAJF-UHFFFAOYSA-N
+rxn:5:178295:227207:226920,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3C)ccc2-c2cccc3c2OCCC3=O)CCC(=O)CC1,QXRNVKSLYVVRRA-UHFFFAOYSA-N
+rxn:5:178295:227301:227808,COC(=O)C1(c2cc(-c3ccc4c(c3)CCCC4)ccc2-c2ccc(F)cc2CN(C)C)CCC(=O)CC1,RNLIAXJDFHAVHT-UHFFFAOYSA-N
+rxn:5:178295:227312:227818,CCC(C)c1cccc(-c2ccc(-c3ccc(C(C)CC)nc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,VLPUYRJCLGOMMN-UHFFFAOYSA-N
+rxn:5:178295:227315:227912,COC(=O)C1(c2cc(-c3ccc(C(C)OC)cc3)ccc2-c2cnc(CC(C)C)cc2F)CCC(=O)CC1,WLBXLQDMCIEJOQ-UHFFFAOYSA-N
+rxn:5:178295:227316:228564,CCC(C)c1ccc(-c2ccc(-c3cc(F)nc(CC(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)s1,CJBMULDOTIOUNA-UHFFFAOYSA-N
+rxn:5:178295:227342:228141,CCCc1cc(F)c(-c2ccc(-c3ccc(C(=O)OC)c(C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cn1,IPJNNOWPBDJVSE-UHFFFAOYSA-N
+rxn:5:178295:227540:227820,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2cc(SC)cc(F)c2OC)CCC(=O)CC1,RSYXKPOSPGBZRA-UHFFFAOYSA-N
+rxn:5:178295:227807:227045,COC(=O)C1(c2cc(-c3cccc(SC(C)(C)C)c3)ccc2-c2cccc3c2CCCC3)CCC(=O)CC1,PDQUHQABFJFJDO-UHFFFAOYSA-N
+rxn:5:178295:227810:227298,CCC(C)c1ccc(-c2ccc(-c3cc(F)ccc3CN(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)cc1,WKCLIKGYRBJOOE-UHFFFAOYSA-N
+rxn:5:178295:227816:228345,CCCc1ccc(-c2ccc(-c3cc(C)sc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,XGDMMKKOXJIAAE-UHFFFAOYSA-N
+rxn:5:178295:227818:227544,CCC(C)c1cccc(-c2ccc(-c3cc(F)ccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,ZKEAUIRMIPLADH-UHFFFAOYSA-N
+rxn:5:178295:227821:227339,CCc1c(C)cc(C)cc1-c1ccc(-c2ccc(C)cc2C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,CDCURBFSURSIFF-UHFFFAOYSA-N
+rxn:5:178295:227830:226910,CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C4(C)CC4)cc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,KUYMMVJVTOCMBD-UHFFFAOYSA-N
+rxn:5:178295:227835:227071,COCc1cc(C)c(-c2ccc(-c3ccc(C)c(C4CC4)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,HMVSFZAPCWMKDH-UHFFFAOYSA-N
+rxn:5:178295:228003:227313,CCC(C)c1cc(-c2ccc(-c3c(C)cc(SC)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,RKTVLSLKODOOIE-UHFFFAOYSA-N
+rxn:5:178295:228013:227361,COC(=O)C1(c2cc(-c3cc(OC)c(C)cc3OC)ccc2-c2ccc(F)c(C3CC3)c2)CCC(=O)CC1,HCDNGHPNLQICGS-UHFFFAOYSA-N
+rxn:5:178295:228099:227065,CCN(C)c1cncc(-c2ccc(-c3cccc(C(=O)C(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,IIHJGOUVVWGPGH-UHFFFAOYSA-N
+rxn:5:178295:228177:225498,COCc1ccc(F)cc1-c1ccc(-c2cc(C3CCCCC3)ccc2F)cc1C1(C(=O)OC)CCC(=O)CC1,MZRBMMXGTSDVQM-UHFFFAOYSA-N
+rxn:5:178295:228177:227409,COCc1ccc(F)cc1-c1ccc(-c2cc(C(C)(C)C)ncc2F)cc1C1(C(=O)OC)CCC(=O)CC1,PWOQZOGAOYVMHD-UHFFFAOYSA-N
+rxn:5:178295:228180:227326,COCc1cc(-c2ccc(-c3cc(C(=O)OC)ccc3C)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1F,RVKGURYFLQYBJK-UHFFFAOYSA-N
+rxn:5:178295:228189:227352,CCSc1ccc(F)c(-c2ccc(-c3cc(C)ccc3C(=O)OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,GMPKCOSUHFQBNK-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:5:178295:228396:226914,COC(=O)C1(c2cc(-c3ccc(CC(C)C)cc3C)ccc2-c2c(F)cc(OC)cc2F)CCC(=O)CC1,SJLHCJYNUBYZON-UHFFFAOYSA-N
+rxn:5:178295:228419:227313,CCC(C)c1cc(-c2ccc(-c3cc(F)c(SC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,UHRYLBDNXIGODJ-UHFFFAOYSA-N
+rxn:5:178295:228512:226059,CC#Cc1cccc(-c2ccc(-c3ccc(C(C)C)cc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,DOWAUUJBWLJAAX-UHFFFAOYSA-N
+rxn:5:178295:228515:226190,CCc1cccc(C)c1-c1ccc(-c2ccc(C3CCCC3)cc2F)cc1C1(C(=O)OC)CCC(=O)CC1,JBHBXTRWUFGREK-UHFFFAOYSA-N
+rxn:5:178295:228547:226589,CCCc1ccncc1-c1ccc(-c2cc(C(F)F)ncc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,LHVCAUBETSDHDD-UHFFFAOYSA-N
+rxn:5:178295:228562:227530,CCC(C)c1csc(-c2ccc(-c3cc(C(=O)OC)ccc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c1,BMGAKFFCDWGGTK-UHFFFAOYSA-N
+rxn:5:178295:228564:227124,CCC(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)s1,POTOTUPWUXOVBB-UHFFFAOYSA-N
+rxn:5:178295:228631:227568,COC(=O)C1(c2cc(-c3c(F)cc(OC)cc3OC)ccc2-c2ccsc2C2CCC2)CCC(=O)CC1,WJDNACUUFUFSBE-UHFFFAOYSA-N
+rxn:5:178295:228734:226059,COC(=O)C1(c2cc(-c3ccc(C(C)C)cc3C(C)C)ccc2-c2c(C)ccnc2OC)CCC(=O)CC1,VALDUTQJCPMMAY-UHFFFAOYSA-N
+rxn:5:178295:228766:226582,CCc1ccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3F)cc2C2(C(=O)OC)CCC(=O)CC2)c(F)n1,ZAIBXDXOILIBOT-UHFFFAOYSA-N
+rxn:5:178295:228812:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2c(F)cccc2SC)CCC(=O)CC1,LQEBXGSWIQBWJO-UHFFFAOYSA-N
+rxn:5:178313:223202:225813,Cc1c(-c2cc(O[Si](C)(C)C(C)(C)C)ccc2-c2ccc(C3(O)CCC3)cc2)cc(F)c(OC(C)C)c1F,JSEBSEYSJKHYGF-UHFFFAOYSA-N
+rxn:5:178313:226135:226737,Cc1cc(C#N)c(C2CC2)cc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(C(F)(F)F)c(C#N)c1,KBJAHVFUWVRXNC-UHFFFAOYSA-N
+rxn:5:178314:225639:223202,CC1CCN(c2ncccc2-c2ccc(-c3ccc(C4(O)CCC4)cc3)c(O[Si](C)(C)C(C)(C)C)c2)CC1,CRPLHVRWXAYURX-UHFFFAOYSA-N
+rxn:5:178353:223002:226174,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(C4CCNCC4)cc3F)cc2C)ccc1-c1ccc(C2CCCCC2)nc1,BKVVMJFCJGKQNJ-UHFFFAOYSA-N
+rxn:5:178353:223065:226364,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCNCC4)cc3F)cc2C)ccc1-c1ccc(N2CCCCC2)nc1,NFCAYJLPDBABMO-UHFFFAOYSA-N
+rxn:5:178353:223140:225666,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccnc(C4CCCNC4)c3)cc2C)ccc1-c1cc(F)cc(N2CCCCC2)c1,QXFZHSCMSOTAFJ-UHFFFAOYSA-N
+rxn:5:178353:225679:223140,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3ccc(N4CCCCC4)cc3F)cc2C)ccc1-c1ccnc(C2CCCNC2)c1,BARDCTHCJKLAAE-UHFFFAOYSA-N
+rxn:5:178353:225849:223132,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(N4CCCCC4)cc3F)cc2C)ccc1-c1cccc(N2CCNCC2)c1,NTJPWFUHHDBHNC-UHFFFAOYSA-N
+rxn:5:178353:225849:225636,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cnc(N4CCCCC4)cc3F)cc2C)ccc1-c1ccnc(N2CCC(C)CC2)c1,YPZOPFBRPYGJFB-UHFFFAOYSA-N
+rxn:5:178353:226440:225638,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(F)nc(C4CCCC4)c3)cc2C)ccc1-c1ccc(N2CCC(C)CC2)nc1,COVJPYPGDXLXOY-UHFFFAOYSA-N
+rxn:5:178353:226664:223004,Cc1cc(OS(=O)(=O)c2cc(C)c(-c3cc(N4CCCC4)ncc3F)cc2C)ccc1-c1ccc(C2CCNCC2)c(F)c1,KXTSYSVALCMGAB-UHFFFAOYSA-N
+rxn:5:178368:225633:227080,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3cccc(N4CCCC4)c3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,GXAQVHZTJQMYAU-UHFFFAOYSA-N
+rxn:5:178368:225633:227081,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCC4)cc3)c(C)c2)c(C)cc1-c1ccc(N2CCCCCC2)nc1,NAVOLIDUQGOASQ-UHFFFAOYSA-N
+rxn:5:178368:226364:226164,Cc1cc(S(=O)(=O)Oc2cc(C)c(-c3ccc(N4CCCCC4)cc3)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)nc1,OLPFUBYHMIDVCK-UHFFFAOYSA-N
+rxn:5:178368:226763:225813,COC(=O)c1c(F)cc(-c2cc(C)c(S(=O)(=O)Oc3cc(C)c(-c4cc(F)c(OC(C)C)c(F)c4C)c(C)c3)cc2C)cc1F,LTLUVNSVOJSSMM-UHFFFAOYSA-N
+rxn:5:178466:223006:223061,CC(C)OC(=O)c1sc2cc(-c3ccc(F)c(C4CCNCC4)c3)ccc2c1-c1cc(C2CCNCC2)ncc1F,UOCKPKVZUXIKND-UHFFFAOYSA-N
+rxn:5:178466:223061:223061,CC(C)OC(=O)c1sc2cc(-c3cc(C4CCNCC4)ncc3F)ccc2c1-c1cc(C2CCNCC2)ncc1F,FCQPMYQPCZIVFK-UHFFFAOYSA-N
+rxn:5:178466:225980:223062,CC(C)OC(=O)c1sc2cc(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1cnc(C2CCNCC2)cc1F,HREJDDCSCWBBLH-UHFFFAOYSA-N
+rxn:5:178467:223016:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cc(C(=O)OC)c4cc[nH]c4c3)c2OC1,ABVIEZDAJABBSK-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
+rxn:5:178467:223139:223269,CCOC(=O)C1=Cc2cc(-c3ccc(NC(C)=O)c(F)c3)cc(-c3ccc(C4CCNCC4)nc3)c2OC1,FUARTJQEIZTHRT-UHFFFAOYSA-N
+rxn:5:178467:223140:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3ccnc(C4CCCNC4)c3)c2OC1,KCJXOVDIMVRNDX-UHFFFAOYSA-N
+rxn:5:178467:225515:227376,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCC4)c3)cc(-c3cccc4c3OCC(C)(C)CO4)c2OC1,NTIHULXZQRZMRV-UHFFFAOYSA-N
+rxn:5:178467:225602:223242,CCOC(=O)C1=Cc2cc(-c3ccnc(C4CCNC4)c3)cc(-c3cc(C4(C#N)CCC4)ccc3F)c2OC1,FOVUIPCQZAEXRG-UHFFFAOYSA-N
+rxn:5:178467:225794:228974,CCOC(=O)C1=Cc2cc(-c3cnn(S(C)(=O)=O)c3)cc(-c3cnc(OC4CCCCC4)nc3)c2OC1,ULHXZWXDPUABAD-UHFFFAOYSA-N
+rxn:5:178467:225833:223061,CCOC(=O)C1=Cc2cc(-c3cc(C4CCNCC4)ncc3F)cc(-c3ccnc(N4CCCCC4)c3F)c2OC1,ORMVARPWIBNZKW-UHFFFAOYSA-N
+rxn:5:178467:225834:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,PURSMSDCHMJFRN-UHFFFAOYSA-N
+rxn:5:178467:225834:226395,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCCCC4)c3)cc(-c3cc(N4CCCCC4)ncc3F)c2OC1,AKIMKOCFRPWQBO-UHFFFAOYSA-N
+rxn:5:178467:225976:223011,CCOC(=O)C1=Cc2cc(-c3cc4[nH]ncc4cc3OC(C)C)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,IKRLNDDNHSZYEC-UHFFFAOYSA-N
+rxn:5:178467:225976:225655,CCOC(=O)C1=Cc2cc(-c3cncc(N4CCC(C)CC4)c3)cc(-c3ccnc(N4CCOCC4)c3F)c2OC1,IFTBVZDZBVBAQD-UHFFFAOYSA-N
+rxn:5:178467:226153:227078,CCOC(=O)C1=Cc2cc(-c3cc(OC)ccc3C3CC3)cc(-c3cc(C4CC4)c(OC)cc3C)c2OC1,INSZNSNULBJDIY-UHFFFAOYSA-N
+rxn:5:178467:226320:226665,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCCOC4)nc3)cc(-c3cc(C4(C#N)CC4)ccc3F)c2OC1,XDCMCIRXAOIEQX-UHFFFAOYSA-N
+rxn:5:178467:226603:227353,CCOC(=O)C1=Cc2cc(-c3c(C)cc(OC)cc3OC)cc(-c3cc(C(=O)OC)cc(F)c3C)c2OC1,APNSUDOXGUPUOI-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:5:178467:226645:228140,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)N(C)C)s3)cc(-c3ccnc(N4CCOCC4)c3)c2OC1,FZCQTAIKXRANKC-UHFFFAOYSA-N
+rxn:5:178467:226665:228140,CCOC(=O)C1=Cc2cc(-c3ccc(C(C)N(C)C)s3)cc(-c3cnc(C4CCCOC4)nc3)c2OC1,CHCGHTABXISPIN-UHFFFAOYSA-N
+rxn:5:178467:226679:226661,CCOC(=O)C1=Cc2cc(-c3cc(N4CCN(C)CC4)cs3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,NOHVRLCUIDXAJO-UHFFFAOYSA-N
+rxn:5:178467:227042:226597,CCOC(=O)C1=Cc2cc(-c3cc(F)c(OC(C)C)c(F)c3)cc(-c3c(C)cc(OCC)cc3C)c2OC1,YSDRXLSTLDDPDG-UHFFFAOYSA-N
+rxn:5:178467:227376:223062,CCOC(=O)C1=Cc2cc(-c3cnc(C4CCNCC4)cc3F)cc(-c3cncc(N4CCCC4)c3)c2OC1,TYXSDSDDTWYDAN-UHFFFAOYSA-N
+rxn:5:178467:227379:226366,CCOC(=O)C1=Cc2cc(-c3ccnc(N4CCCCC4)c3)cc(-c3cccnc3N3CCCC3)c2OC1,NMFBVLTUCFGYEX-UHFFFAOYSA-N
+rxn:5:178467:227412:225794,CCOC(=O)C1=Cc2cc(-c3cnc(OC4CCCCC4)nc3)cc(-c3cnc(C(C)(C)C)cc3F)c2OC1,QMXVPBJHDQHYMG-UHFFFAOYSA-N
+rxn:5:178467:227458:225980,CCOC(=O)C1=Cc2cc(-c3cc(N4CCOCC4)ncc3F)cc(-c3cnc4c(c3)OCCN4C)c2OC1,VVHLLOXJFNJGHU-UHFFFAOYSA-N
+rxn:5:178467:227495:226663,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cc(N(C)CC)ncc3F)c2OC1,CLLBDYPHDGLFPE-UHFFFAOYSA-N
+rxn:5:178467:227568:225671,CCOC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ncc3F)cc(-c3c(F)cc(OC)cc3OC)c2OC1,CGRBXSWLDAYGNF-UHFFFAOYSA-N
+rxn:5:178467:227703:223134,CCOC(=O)C1=Cc2cc(-c3cnccc3C3CCCNC3)cc(-c3cnc(F)c(C(=O)OC)c3)c2OC1,VRESCDVYGYSPQI-UHFFFAOYSA-N
+rxn:5:178467:227968:223065,CCOC(=O)C1=Cc2cc(-c3ccc(N4CCNCC4)cc3F)cc(-c3cnccc3C3CCC3)c2OC1,RGKJGHGYSYHODO-UHFFFAOYSA-N
+rxn:5:178467:228099:225834,CCOC(=O)C1=Cc2cc(-c3cc(N4CCCCC4)ncc3F)cc(-c3cncc(N(C)CC)c3)c2OC1,YPHYTXDFNIXRTB-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:5:178556:223141:225603,N#CC1(c2cccc(-c3ccc(-c4cncc(C5CCNCC5)c4)c(COc4ccc5c(c4)C(=O)CCC5)c3)c2F)CCC1,ATFONXCAYXVFCP-UHFFFAOYSA-N
+rxn:5:179393:225805:225986,CC(c1ccc(-c2cc(OC3COC3)cc(-c3ccccc3N3CCCS3(=O)=O)c2)s1)N1CCOCC1,JSIDYRVZCDIUPO-UHFFFAOYSA-N
+rxn:5:179417:225805:226654,CCS(=O)(=O)c1ccc(-c2ccc(C(C)N3CCOCC3)s2)c(-c2csc(N3CCC(C)CC3)n2)c1,KZQAQOILOOEEOZ-UHFFFAOYSA-N
+rxn:5:180020:226150:226037,COc1c(C(F)(F)F)ccc(-c2ccc(OC3CCCC3=O)c(-c3cccc(SC4CCCC4)c3)c2)c1F,LKWUULVLCAHXDC-UHFFFAOYSA-N
+rxn:5:180022:225514:226176,COc1c(-c2ccncc2C2CCCCC2)ccc(-c2cccc3c2OCC2(CC2)CO3)c1C1OCCO1,FNDSKROGSPYAER-UHFFFAOYSA-N
+rxn:5:180022:225514:226177,COc1c(-c2ccnc(C3CCCCC3)c2)ccc(-c2cccc3c2OCC2(CC2)CO3)c1C1OCCO1,QSEQIQMDZKRTOY-UHFFFAOYSA-N
+rxn:5:180022:225639:226438,COc1c(-c2cnc(C3CCCC3)cc2F)ccc(-c2cccnc2N2CCC(C)CC2)c1C1OCCO1,XNFJOYQGCVQKPL-UHFFFAOYSA-N
+rxn:5:180022:225881:225674,COc1c(-c2cnc(C3CCCCC3)cc2F)ccc(-c2ccc(C3CCOCC3)nc2F)c1C1OCCO1,YZXCULIIHZEQAD-UHFFFAOYSA-N
+rxn:5:180022:225985:227449,COc1c(-c2ccc(C3CCOCC3)s2)ccc(-c2cccc(N3CCCS3(=O)=O)c2)c1C1OCCO1,LQRKWWQLPMWUQG-UHFFFAOYSA-N
+rxn:5:180022:226374:225453,COc1c(-c2cccc(SC3CCCCC3)c2)ccc(-c2cncnc2C2CCCCC2)c1C1OCCO1,ICTUFRFAGBIMCI-UHFFFAOYSA-N
+rxn:5:180022:226374:225978,COc1c(-c2ccc(N3CCOCC3)nc2F)ccc(-c2cncnc2C2CCCCC2)c1C1OCCO1,KDKOEJKYJGYOKV-UHFFFAOYSA-N
+rxn:5:180022:226734:222981,COc1c(-c2ccnc(NC3CCCCC3)c2)ccc(-c2cccc(S(=O)(=O)N(C)C)c2)c1C1OCCO1,DVEXDKQEYKZTFW-UHFFFAOYSA-N
+rxn:5:180203:226450:225985,CC1(c2cccc(-c3cc(OC4CCOCC4)cc(-c4cccc(N5CCCS5(=O)=O)c4)c3)c2)OCCO1,XASBVOOXQSZDFF-UHFFFAOYSA-N
+rxn:5:180204:225805:227710,CC(c1ccc(-c2cc(-c3ccc(OS(C)(=O)=O)cc3)ccc2OC2CCOCC2)s1)N1CCOCC1,NYGKDXGVILUUFQ-UHFFFAOYSA-N
+rxn:5:180377:222405:226662,CC(C)c1cc(-c2ccc(N3CCN(C)CC3)s2)cc(C(C)C)c1-c1cccc(C2NC(=O)NC2=O)c1,XJEZOISYWVKXCK-UHFFFAOYSA-N
+rxn:5:180602:226794:225833,COC(=O)C1Cc2cc(-c3ccnc(N4CCCCC4)c3F)cc(-c3cnc(N4CCSCC4)nc3)c2O1,MLTACUGBJUGDEG-UHFFFAOYSA-N
+rxn:5:180662:222985:227501,COC(=O)C1=Cc2cc(-c3ccc(C=C[N+](=O)[O-])cc3)cc(-c3ccc(C4CCCNC4)nc3C)c2OC1,FZEXWBMLWJBHHT-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:5:180662:225982:227495,CCN(C)c1cc(-c2cc3c(c(-c4cnc(N5CCOCC5)cc4F)c2)OCC(C(=O)OC)=C3)c(F)cn1,FLLRKYYFYUDEEQ-UHFFFAOYSA-N
+rxn:5:180662:225982:227507,COC(=O)C1=Cc2cc(-c3cccc(C=C[N+](=O)[O-])c3)cc(-c3cnc(N4CCOCC4)cc3F)c2OC1,YJCPMIZUTLUYEJ-UHFFFAOYSA-N
+rxn:5:180662:226320:223294,COC(=O)C1=Cc2cc(-c3csc(N4CCNCC4)n3)cc(-c3cc(C4(C#N)CC4)ccc3F)c2OC1,ZCEBSXOLPORJAT-UHFFFAOYSA-N
+rxn:5:180662:226664:226663,COC(=O)C1=Cc2cc(-c3ccc(N4CCSCC4)nc3)cc(-c3cc(N4CCCC4)ncc3F)c2OC1,OKQPAMYSDSVOIV-UHFFFAOYSA-N
+rxn:5:180662:226679:226794,COC(=O)C1=Cc2cc(-c3cnc(N4CCSCC4)nc3)cc(-c3cnc(N4CCCC4)cc3F)c2OC1,FIUPMCCDSCQDFX-UHFFFAOYSA-N
+rxn:5:181903:225465:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2(C)OCCO2)cc1-c1cccc(C2CCN(C)CC2)c1,GYLVTTZVQRBPLB-UHFFFAOYSA-N
+rxn:5:181904:226652:223064,Cc1cc(-c2ccc(C3OCCO3)c(C)c2-c2ccc(C3CCNCC3)nc2F)n(C2CCCCO2)n1,ZQCITSURZPHSSR-UHFFFAOYSA-N
+rxn:5:181904:226686:222990,Cc1cnn(C2CCCCO2)c1-c1ccc(C2OCCO2)c(C)c1-c1ccc(N2CCC(O)CC2)cc1,OLINZXCNQMOISN-UHFFFAOYSA-N
+rxn:5:181905:223056:222985,Cc1ccc(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1-c1ccc(N2CCC(O)CC2)nc1,NDRVSGAFONULJO-UHFFFAOYSA-N
+rxn:5:181907:222987:222996,Cc1cc(-c2ccc(C3CCNCC3)nc2C)c(-c2ccc(F)cc2C2CCCNC2)c(C2OCCO2)c1,IVJHIFVEIPMMCZ-UHFFFAOYSA-N
+rxn:5:181907:223134:225832,Cc1cc(-c2cnccc2C2CCCNC2)c(-c2c(C)nn(C3CCCCO3)c2C)c(C2OCCO2)c1,AEZFMFAWLOSQMY-UHFFFAOYSA-N
+rxn:5:181907:225607:223138,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccnc(C3CCNCC3)c2)c(C2OCCO2)c1,KCBBEGHUXVUDAX-UHFFFAOYSA-N
+rxn:5:181907:225607:223142,Cc1cc(-c2ccc(C(C)N3CCCCC3)s2)c(-c2ccc(C3CCCNC3)nc2)c(C2OCCO2)c1,YDHSOFFRCBWAJT-UHFFFAOYSA-N
+rxn:5:181907:225634:222985,Cc1cc(-c2cnc(N3CCCCC3)c(C)c2)c(-c2ccc(C3CCCNC3)nc2C)c(C2OCCO2)c1,PQEBTMMEPBVQQW-UHFFFAOYSA-N
+rxn:5:181907:225832:223140,Cc1cc(-c2c(C)nn(C3CCCCO3)c2C)c(-c2ccnc(C3CCCNC3)c2)c(C2OCCO2)c1,IVKIFNOEHGPQGZ-UHFFFAOYSA-N
+rxn:5:181907:226382:225607,Cc1cc(-c2cnc(C3CCCCC3)nc2)c(-c2ccc(C(C)N3CCCCC3)s2)c(C2OCCO2)c1,ALCQKJGWZWLRRF-UHFFFAOYSA-N
+rxn:5:181907:226686:225881,Cc1cc(-c2c(C)cnn2C2CCCCO2)c(-c2ccc(C3CCOCC3)nc2F)c(C2OCCO2)c1,ZBABPMYPTCNLKU-UHFFFAOYSA-N
+rxn:5:181908:223064:222960,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)c1,QTQYJVOQTNIGOB-UHFFFAOYSA-N
+rxn:5:181908:225394:222957,Cc1cc(-c2cc(C3OCCO3)c(C)cc2-c2cc(C3CCC3)cc(C3CC3)c2)cc(C2CCCNC2)c1,KFCDYBBVXWJLMO-UHFFFAOYSA-N
+rxn:5:182010:226177:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccnc(C3CCCCC3)c2)c1,ILIZQGHVVLKODL-UHFFFAOYSA-N
+rxn:5:183189:222956:223001,Cc1ccc(-c2cc(-c3cc(C4CCCNC4)ccc3F)cc3c2OC(C)(C)OC3)c(C2CCCNC2)c1,RUHIRSLOXHUFDA-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:5:188459:226583:226886,COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(CN3CCOCC3)s2)cc1-c1cc(F)c(C(F)(F)F)c(F)c1,IHMLXDIOBYDXLW-UHFFFAOYSA-N
+rxn:5:188462:225834:223183,CNS(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])c(C(=O)OC)cc2-c2cc(N3CCCCC3)ncc2F)c(C)c1,IMCOLXIMKVYRPC-UHFFFAOYSA-N
+rxn:5:188930:223135:223148,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1ccccc1C1CNCCO1,POJAOVIUDKYKCJ-UHFFFAOYSA-N
+rxn:5:188930:223135:227449,COC(=O)c1cc(S(N)(=O)=O)c(-c2cccnc2C2CCCNC2)cc1-c1ccc(C2CCOCC2)s1,MWELRCBEFXPDGZ-UHFFFAOYSA-N
+rxn:5:188930:225938:226772,COC(=O)c1cc(F)c(-c2cc(-c3cc(C(F)(F)F)ncc3C3CC3)c(S(N)(=O)=O)cc2C(=O)OC)c(F)c1,VMLVYZADJKBVPV-UHFFFAOYSA-N
+rxn:5:188930:227704:223000,COC(=O)c1cc(S(N)(=O)=O)c(-c2cc(C(F)F)ncc2OC)cc1-c1ccc(C2CCCNC2)c(F)c1,PRYSBUGIFXKENP-UHFFFAOYSA-N
+rxn:5:189207:223140:225870,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccnc(C3CCCNC3)c2)ccc1-c1cc(F)cc(N2CCOCC2)c1,ZHWVNFYZOPDKOO-UHFFFAOYSA-N
+rxn:5:189207:223388:225817,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(S(=O)(=O)O)cc2)ccc1-c1ccc(C(F)(F)F)c(C2CC2)c1,FABPUZDOGNSTSV-UHFFFAOYSA-N
+rxn:5:189207:225817:223388,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(C(F)(F)F)c(C3CC3)c2)ccc1-c1ccc(S(=O)(=O)O)cc1,UZYHZHQIWFIMAP-UHFFFAOYSA-N
+rxn:5:189207:227119:228337,CCOc1cc(F)c(-c2ccc(-c3cc(C4CCCCC4)cs3)cc2C(=O)ON2C(=O)CCC2=O)cn1,ISUJHEJRKCOVAM-UHFFFAOYSA-N
+rxn:5:189208:223388:225822,O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1-c1cccc(C(F)(F)F)c1C1CC1,CXRZJZAQADTELC-UHFFFAOYSA-N
+rxn:5:189209:223388:225817,O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(S(=O)(=O)O)cc2)cc(-c2ccc(C(F)(F)F)c(C3CC3)c2)c1,PYEXJWZWXSWZOD-UHFFFAOYSA-N
+rxn:5:189211:223388:225817,O=C(ON1C(=O)CCC1=O)c1cccc(-c2ccc(S(=O)(=O)O)cc2)c1-c1ccc(C(F)(F)F)c(C2CC2)c1,DAUKMUSSFRKMAS-UHFFFAOYSA-N
+rxn:5:189211:225598:223343,O=C1Cc2ccc(-c3c(C(=O)ON4C(=O)CCC4=O)cccc3-c3cccc(CN4CCSCC4)c3)cc2N1,SXMJWIDWKXEERU-UHFFFAOYSA-N
+rxn:5:189212:223188:228233,CNc1cc(C(F)(F)F)c(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cnc(C(C)=O)cc2C)cn1,CURYTFUMNRVIJI-UHFFFAOYSA-N
+rxn:5:189212:228885:223061,N#Cc1ncc(-c2cc(C(=O)ON3C(=O)CCC3=O)ccc2-c2cc(C3CCNCC3)ncc2F)cc1F,AWMTZRJYPGCEKV-UHFFFAOYSA-N
+rxn:5:189321:222995:226847,CSc1ncc(C(F)(F)F)cc1-c1ccc(-c2cccc(N3CCCC(O)C3)c2)nc1C(=O)OC(C)(C)C,XYSQGSIFJJELQN-UHFFFAOYSA-N
+rxn:5:189322:222993:226847,CSc1ncc(C(F)(F)F)cc1-c1ncc(-c2cccc(N3CCCCC3O)c2)cc1C(=O)OC(C)(C)C,QNUFSKFIZWCCLY-UHFFFAOYSA-N
+rxn:5:189322:222995:226847,CSc1ncc(C(F)(F)F)cc1-c1ncc(-c2cccc(N3CCCC(O)C3)c2)cc1C(=O)OC(C)(C)C,IJPVPYLYJDLSGH-UHFFFAOYSA-N
+rxn:5:189334:222991:226847,CSc1ncc(C(F)(F)F)cc1-c1cc(-c2ccc(N3CCCC(O)C3)cc2)cnc1C(=O)OC(C)(C)C,LILCMPMVEFCZRJ-UHFFFAOYSA-N
+rxn:5:189334:222995:226847,CSc1ncc(C(F)(F)F)cc1-c1cc(-c2cccc(N3CCCC(O)C3)c2)cnc1C(=O)OC(C)(C)C,WHVPGKXJJKECLV-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:5:189513:225679:225598,O=[N+]([O-])c1ccc(-c2ccc(N3CCCCC3)cc2F)cc1S(=O)(=O)c1ccc(-c2cccc(CN3CCSCC3)c2)cc1,KNRXEKHCANXYIL-UHFFFAOYSA-N
+rxn:5:189538:223018:223183,CNS(=O)(=O)c1ccc(-c2cc(C(=O)N(C)C(C)C)ccc2-c2ccc3c(c2)NC(=O)C(C)(C)O3)c(C)c1,MZSGIXHWVHYWCP-UHFFFAOYSA-N
+rxn:5:189540:225928:226172,COC1CN(Cc2cc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)ccc2-c2cc(N3CCCC3)ccc2C)C1,LLRLFJQISUOJDP-UHFFFAOYSA-N
+rxn:5:189665:223000:227113,Cc1cc(F)c(C2CC2)cc1-c1cc(-c2ccc(C3CCCNC3)c(F)c2)cnc1OCC1CCOCC1,SNNPXYLIZRDKKD-UHFFFAOYSA-N
+rxn:5:189665:225803:227337,CC(C)Oc1ccc(F)cc1-c1cc(-c2ccnc(OC3CCOCC3)c2)cnc1OCC1CCOCC1,BNSMMADHUUWWRA-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:5:189718:226872:226869,O=[N+]([O-])c1cc(-c2cc(F)cc(OC(F)(F)F)c2)c(-c2cc(F)ccc2OC(F)(F)F)cc1OC1CCOCC1,CCPKNKXZMBNSJU-UHFFFAOYSA-N
+rxn:5:189826:226732:223130,N#Cc1ccc(-c2cc(-c3ccc(CN4CC(O)C4)cc3)ccc2CC(=O)N2CCOCC2)cc1C(F)(F)F,ZGIWEEDCASDIET-UHFFFAOYSA-N
+rxn:5:189829:225833:228490,COc1c(-c2cccc(S(=O)(=O)F)c2)cc(C(=O)N2CCCC2)cc1-c1ccnc(N2CCCCC2)c1F,DGCBDBRXUCRUCQ-UHFFFAOYSA-N
+rxn:5:189829:225849:228490,COc1c(-c2cccc(S(=O)(=O)F)c2)cc(C(=O)N2CCCC2)cc1-c1cnc(N2CCCCC2)cc1F,JSWDMHDWCHMJBN-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:5:189910:223260:225684,CNC(=O)c1cc(F)cc(-c2ccc(-c3ccc(C4CCOCC4)nc3C)c(CCN3CCOCC3)c2)c1,TZVITHBNSKVHTM-UHFFFAOYSA-N
+rxn:5:189910:226664:225833,Fc1cnc(N2CCCC2)cc1-c1ccc(-c2ccnc(N3CCCCC3)c2F)c(CCN2CCOCC2)c1,FUYIUFXSKYNBQL-UHFFFAOYSA-N
+rxn:5:189952:226664:225976,COc1c(-c2cc(N3CCCC3)ncc2F)cc(C(=O)N2CCOCC2)cc1-c1ccnc(N2CCOCC2)c1F,PRAVJABWTSFDTC-UHFFFAOYSA-N
+rxn:5:190001:226321:225602,N#CC1(c2ccc(F)c(-c3ccc(CC(=O)N4CCCCC4)cc3-c3ccc(SC4CCCC4)nc3)c2)CCC1,WVUIPWUYNBXTDV-UHFFFAOYSA-N
+rxn:5:190128:228476:226366,COC1CCN(C(=O)c2ccc(-c3cccnc3C(F)(F)F)c(-c3ccnc(N4CCCCC4)c3)c2)CC1,AHNFIPXXDYVAET-UHFFFAOYSA-N
+rxn:5:190131:228256:226132,COc1cc(-c2cc(C(=O)N3CCCCC3)cc(-c3ccc(C4(C#N)CC4)cc3C)c2OC)cc(C)c1F,ASASIYSAFBEUGC-UHFFFAOYSA-N
+rxn:5:190196:223056:223113,CN(Cc1ccc(-c2ccc(N3CCC(O)CC3)nc2)cc1-c1ccc2c(c1)C(C)(C)C(=O)N2)C1CCOCC1,LFSRZJGALRAIBZ-UHFFFAOYSA-N
+rxn:5:190196:223062:228172,CCOc1cccc(-c2cc(-c3cnc(C4CCNCC4)cc3F)ccc2CN(C)C2CCOCC2)c1F,JQVPGKDDFUTXFT-UHFFFAOYSA-N
+rxn:5:190197:225822:227284,CN(Cc1ccc(-c2cc(C#N)ncc2C2CC2)cc1-c1cccc(C(F)(F)F)c1C1CC1)C1CCOCC1,SFAISUCGGULDFI-UHFFFAOYSA-N
+rxn:5:190198:225930:227535,CCOc1cc(F)c(F)cc1-c1cccc(-c2cc(C)ccc2S(=O)(=O)N(C)C)c1CN(C)C1CCOCC1,HOMYXDQSHWIKRT-UHFFFAOYSA-N
+rxn:5:190199:225940:228009,CN(Cc1cc(-c2ccc(C3CC3)c(F)c2)ccc1-c1cc(C(F)(F)F)cnc1C1CC1)C1CCOCC1,VNVZAFGFORZWRX-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:5:190201:222417:225803,CC1CN(CCc2cc(-c3cnc(=O)[nH]c3C(C)C)ccc2-c2ccnc(OC3CCOCC3)c2)CCO1,ZHOBQKSWQOWGTN-UHFFFAOYSA-N
+rxn:5:190231:225655:225834,COc1c(-c2cncc(N3CCC(C)CC3)c2)cc(C(=O)N2CCOC(C)C2)cc1-c1cc(N2CCCCC2)ncc1F,RTCUZVUDOFXRKD-UHFFFAOYSA-N
+rxn:5:190264:226341:226147,COc1cc(F)c(C(C)C)cc1-c1cc(CC(=O)N2CCC(C)CC2)ccc1-c1c(C)cc(OC(C)C)cc1C,NTWNCOGHLVTMOX-UHFFFAOYSA-N
+rxn:5:190264:226347:227108,Cc1cc(-c2cc(CC(=O)N3CCC(C)CC3)ccc2-c2cc(C3CCC3)ccc2F)c(OC(C)C)cc1F,AUBAHJKZMIDYRJ-UHFFFAOYSA-N
+rxn:5:190299:227292:226349,COc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1C=C1SC(=O)N(c2ccc(-c3cc(F)cc(OC(C)(C)C)c3)cc2)C1=O,ZRPVAQNPTSJWER-UHFFFAOYSA-N
+rxn:5:190335:226579:228103,COc1c(-c2cnc(CC(C)C)nc2)cc(C(=O)N2CCCCC2C)cc1-c1cc(F)cc(C(=O)N(C)C)c1,MVOQYQCFNLZUFQ-UHFFFAOYSA-N
+rxn:5:190336:227086:226141,COc1c(-c2ccnc(C3CCCC3)c2)cc(C(=O)N2CCCC(C)C2)cc1-c1ccccc1OC1CCCC1,LBUBALSOKWCCHC-UHFFFAOYSA-N
+rxn:5:190404:223388:225815,O=C(c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1)N1CCSC(c2ccccc2-c2ccc(C3CC3)cc2C(F)(F)F)CC1,HLGHQNSQFHGWKZ-UHFFFAOYSA-N
+rxn:5:190404:223388:225824,O=C(c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1)N1CCSC(c2ccccc2-c2cc(C3CC3)cc(C(F)(F)F)c2)CC1,MBZPGMTWWFANKE-UHFFFAOYSA-N
+rxn:5:190404:225816:223388,O=C(c1ccc(-c2cc(C3CC3)ccc2C(F)(F)F)o1)N1CCSC(c2ccccc2-c2ccc(S(=O)(=O)O)cc2)CC1,RKVQLGYIWZCNCI-UHFFFAOYSA-N
+rxn:5:190404:225820:223388,O=C(c1ccc(-c2c(C3CC3)cccc2C(F)(F)F)o1)N1CCSC(c2ccccc2-c2ccc(S(=O)(=O)O)cc2)CC1,GKTUYARCYHVUHG-UHFFFAOYSA-N
+rxn:5:190404:226765:227452,COC(=O)c1ccc(-c2ccc(C(=O)N3CCSC(c4ccccc4-c4cccc(C5OCCO5)c4)CC3)o2)c(F)c1F,FTWCUYBNWFNWCA-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:5:190484:226662:223312,CN1CCN(c2ccc(-c3cccc(C(=O)N4CCC(c5ccccc5-c5ccc(C6CNC6)cc5)S(=O)(=O)CC4)c3)s2)CC1,QXUBZYPLVPILAI-UHFFFAOYSA-N
+rxn:5:190484:227449:227438,O=C(c1cccc(-c2ccc(C3CCOCC3)s2)c1)N1CCC(c2ccccc2-c2ccnc(C3CCOC3)c2)S(=O)(=O)CC1,ODSQWIRMHQEHLF-UHFFFAOYSA-N
+rxn:5:190484:228677:226685,CC(C)Cn1cc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cnc(C5CCOCC5)nc4)S(=O)(=O)CC3)c2)cn1,DIUSSCKDSKOWGO-UHFFFAOYSA-N
+rxn:5:190484:228775:225666,COc1ccc(-c2cccc(C(=O)N3CCC(c4ccccc4-c4cc(F)cc(N5CCCCC5)c4)S(=O)(=O)CC3)c2)cc1F,AXZXAWFSXOYDJY-UHFFFAOYSA-N
+rxn:5:190740:225982:223064,CCOC(=O)c1cnc2c(C)cc(-c3cnc(N4CCOCC4)cc3F)cc2c1-c1ccc(C2CCNCC2)nc1F,FZCVMNRWRPTQCZ-UHFFFAOYSA-N
+rxn:5:190740:226583:225976,CCOC(=O)c1cnc2c(C)cc(-c3ccc(CN4CCOCC4)s3)cc2c1-c1ccnc(N2CCOCC2)c1F,OBTRJPHTIJRUBY-UHFFFAOYSA-N
+rxn:5:190741:225632:223062,CCOC(=O)c1cnc2c(-c3cccc(N4CCN(C)CC4)c3)cc(C)cc2c1-c1cnc(C2CCNCC2)cc1F,YRUOELYRVCAFGS-UHFFFAOYSA-N
+rxn:5:190741:225881:223061,CCOC(=O)c1cnc2c(-c3ccc(C4CCOCC4)nc3F)cc(C)cc2c1-c1cc(C2CCNCC2)ncc1F,ZZKBBFWUCSXXDP-UHFFFAOYSA-N
+rxn:5:190741:225976:225881,CCOC(=O)c1cnc2c(-c3ccnc(N4CCOCC4)c3F)cc(C)cc2c1-c1ccc(C2CCOCC2)nc1F,IMIRZRZZEKKXDG-UHFFFAOYSA-N
+rxn:5:190741:225980:225833,CCOC(=O)c1cnc2c(-c3cc(N4CCOCC4)ncc3F)cc(C)cc2c1-c1ccnc(N2CCCCC2)c1F,JBKXHVKZIGUEQH-UHFFFAOYSA-N
+rxn:5:190742:223061:225976,CCOC(=O)c1cnc2c(C)ccc(-c3cc(C4CCNCC4)ncc3F)c2c1-c1ccnc(N2CCOCC2)c1F,CQTVPXSYMXLKLW-UHFFFAOYSA-N
+rxn:5:190742:225655:225833,CCOC(=O)c1cnc2c(C)ccc(-c3cncc(N4CCC(C)CC4)c3)c2c1-c1ccnc(N2CCCCC2)c1F,KMIKEGDUTWRUGT-UHFFFAOYSA-N
+rxn:5:190743:225980:223056,CCOC(=O)c1cnc2c(C)c(-c3cc(N4CCOCC4)ncc3F)ccc2c1-c1ccc(N2CCC(O)CC2)nc1,FGXLEYCGDKORHZ-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:5:190797:223018:223018,CC(C)(C)OC(=O)n1ccc2c(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)cc21,NQAOPISWFQPBDC-UHFFFAOYSA-N
+rxn:5:190833:225617:229185,CC(C)(C)OC(=O)N1Cc2c(-c3cc(F)nc(F)c3)ccc(-c3ccc(OC4CCCCO4)cc3)c2C1=O,GPTQFQTVUITROJ-UHFFFAOYSA-N
+rxn:5:190859:223086:223143,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cc3[nH]ncc3cc1C(F)(F)F)c2-c1cccc(N2CCC(O)C2)c1,TXVVKTJKYQSSAA-UHFFFAOYSA-N
+rxn:5:190859:228223:226838,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1ccc(C3CC3)nc1F)c2-c1cnc(C#N)c(C(F)(F)F)c1,YWCGOQBLFVPZSV-UHFFFAOYSA-N
+rxn:5:190859:228476:223006,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cccnc1C(F)(F)F)c2-c1ccc(F)c(C2CCNCC2)c1,OBOHOZNCFVHLRF-UHFFFAOYSA-N
+rxn:5:190859:228969:223143,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cscc1C(F)(F)F)c2-c1cccc(N2CCC(O)C2)c1,CAFRLPRIDKPHFQ-UHFFFAOYSA-N
+rxn:5:190859:228969:223144,CC(C)(C)OC(=O)N1CCc2c1ccc(-c1cscc1C(F)(F)F)c2-c1ccc(N2CCC(O)C2)cc1,SQPUOYRZERYCGP-UHFFFAOYSA-N
+rxn:5:190993:226783:225454,COc1cc(F)c(F)c(OC)c1-c1ccc2c(c1)CN(CCc1ccc(-c3ccc(C4=CCN(C)CC4)cc3)cc1)C(=O)CO2,DHQVGBBERCTFOU-UHFFFAOYSA-N
+rxn:5:190997:226425:225679,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccc(N4CCCCC4)cc3F)c3cccnc23)c(C)cc1-c1ccc(N2CCCCC2C)s1,ADQVQYBFGLDBSP-UHFFFAOYSA-N
+rxn:5:190998:225834:228712,COC(=O)c1cc(-c2ccnn2C2CCC2)ccc1N1Cc2cc(-c3cc(N4CCCCC4)ncc3F)ccc2OCC1=O,DQBGJEWGQKWUME-UHFFFAOYSA-N
+rxn:5:190998:226571:225461,COC(=O)c1cc(-c2ccc(N3CCCCC3)cc2C)ccc1N1Cc2cc(-c3cnn(CC4CCOCC4)c3)ccc2OCC1=O,HOETVUYEPCWDMC-UHFFFAOYSA-N
+rxn:5:190998:227370:227365,CCOc1cc(-c2ccc(N3Cc4cc(-c5ccc(OC6CC6)c(F)c5)ccc4OCC3=O)c(C(=O)OC)c2)cc(C)c1F,RYBOCCKPUDZRIP-UHFFFAOYSA-N
+rxn:5:190998:228388:225515,COC(=O)c1cc(-c2cccc3c2OCC(C)(C)CO3)ccc1N1Cc2cc(-c3cc(C(F)F)ncc3C)ccc2OCC1=O,MYFAWSGUZWEQDQ-UHFFFAOYSA-N
+rxn:5:191026:223340:222992,COC(=O)C1=CN(c2ccc(C)c(-c3ccc(N4CCCCC4O)cc3)c2)c2cc(-c3ccc4c(c3)NCCO4)ccc2S1(=O)=O,FVNADHURGNWOFM-UHFFFAOYSA-N
+rxn:5:191026:228548:226154,CCCc1cncc(-c2ccc3c(c2)N(c2ccc(C)c(-c4ccc(C(C)(C)C)cc4OC)c2)C=C(C(=O)OC)S3(=O)=O)c1,SNIYOZWGXOWLLD-UHFFFAOYSA-N
+rxn:5:191049:223065:226664,COc1cc(N2Cc3cc(-c4ccc(N5CCNCC5)cc4F)ccc3OCC2=O)c(OC)cc1-c1cc(N2CCCC2)ncc1F,SRXMBSUZOOLIGT-UHFFFAOYSA-N
+rxn:5:191049:225834:226794,COc1cc(N2Cc3cc(-c4cc(N5CCCCC5)ncc4F)ccc3OCC2=O)c(OC)cc1-c1cnc(N2CCSCC2)nc1,YIKDWQMIBSLBOR-UHFFFAOYSA-N
+rxn:5:191049:227770:227684,COc1cc(N2Cc3cc(-c4cnc(OC)c([N+](=O)[O-])c4)ccc3OCC2=O)c(OC)cc1-c1cnn(CC2OCCO2)c1,SBZRKTZMOCTMIY-UHFFFAOYSA-N
+rxn:5:193226:225784:223006,O=C(c1ccc(-c2ccc(CN3CCOCC3)nc2)c(-c2ccc(F)c(C3CCNCC3)c2)c1)N1CCOCC1,SAKDMUWSWDJHNR-UHFFFAOYSA-N
+rxn:5:193228:223173:226431,O=C(c1cc(-c2ccc(N3CCCC3)c(F)c2)cc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1)N1CCSCC1,VWRFCZVTTSPBOU-UHFFFAOYSA-N
+rxn:5:193229:225982:225834,O=C(c1cccc(-c2cnc(N3CCOCC3)cc2F)c1-c1cc(N2CCCCC2)ncc1F)N1CCOCC1,SVZDEOCGJNDAOO-UHFFFAOYSA-N
+rxn:5:193230:223006:226645,O=C(c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1-c1ccnc(N2CCOCC2)c1)N1CCOCC1,AKHKHJYBVKELQB-UHFFFAOYSA-N
+rxn:5:193231:227710:225849,CS(=O)(=O)Oc1ccc(-c2ccc(C(=O)N3CCSCC3)c(-c3cnc(N4CCCCC4)cc3F)c2)cc1,CNKNXTKUEVRSHD-UHFFFAOYSA-N
+rxn:5:193382:227051:225600,CCC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c(-c3cccnc3OC3CCCCC3)c2)c(C)c1,ICGSWDMVUSWXSQ-UHFFFAOYSA-N
+rxn:5:193382:227449:225805,CC(c1ccc(-c2cc(-c3ccc(C4CCOCC4)s3)ccc2S(=O)(=O)N2CCOCC2)s1)N1CCOCC1,SBUVMBLUWYBELJ-UHFFFAOYSA-N
+rxn:5:193382:227803:223134,CN(C)S(=O)(=O)n1nccc1-c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cnccc2C2CCCNC2)c1,INKPATCMGQFNKN-UHFFFAOYSA-N
+rxn:5:193382:228972:225631,CN1CCN(c2ccc(-c3cc(-c4cc(C(F)(F)F)cs4)ccc3S(=O)(=O)N3CCOCC3)cc2)CC1,WQLJCJPHIXNBIJ-UHFFFAOYSA-N
+rxn:5:193460:226172:226762,CSc1cc(-c2c(C(=O)N3CCCCC3)cccc2-c2cc(N3CCCC3)ccc2C)cc(C(F)(F)F)c1,LMACBWBEXKBDTN-UHFFFAOYSA-N
+rxn:5:193461:223054:228490,CC(c1ccc(-c2ccc(C(=O)N3CCCCC3)c(-c3cccc(S(=O)(=O)F)c3)c2)s1)N1CCC(O)C1,KTNMLBZARYDVKF-UHFFFAOYSA-N
+rxn:5:193466:226738:226431,CC(=O)c1ccc(-c2cc(-c3ccc(N4CCCC4)c(F)c3)ccc2C(=O)N2CCC[C@H]2C)c([N+](=O)[O-])c1,OORIMPBNIYMJGM-LJQANCHMSA-N
+rxn:5:193506:222405:226199,CC(C)n1ncc2cc(-c3cc(-c4cccc(C5NC(=O)NC5=O)c4)ccc3S(=O)(=O)N3CCC(=O)CC3)ccc21,YGUMSEUIRFULEH-UHFFFAOYSA-N
+rxn:5:193506:222420:226665,NS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnc(C3CCCOC3)nc2)c1,YKAMGADPRAUPKQ-UHFFFAOYSA-N
+rxn:5:193506:222990:229090,CC(=O)c1cc(-c2cc(-c3ccc(N4CCC(O)CC4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cs1,BOZJSMKRCWLOGK-UHFFFAOYSA-N
+rxn:5:193506:222991:228695,CN(C)Cc1cc(-c2cc(-c3ccc(N4CCCC(O)C4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cs1,TTXGRFLXRCLPIR-UHFFFAOYSA-N
+rxn:5:193506:222995:228695,CN(C)Cc1cc(-c2cc(-c3cccc(N4CCCC(O)C4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cs1,HOCJRJWVQYLXIR-UHFFFAOYSA-N
+rxn:5:193506:223014:226794,COC(=O)c1cccc2[nH]c(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4cnc(N5CCSCC5)nc4)c3)cc12,RHLPJTWKDUUCTO-UHFFFAOYSA-N
+rxn:5:193506:223016:223056,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCC(O)CC4)nc3)c2)cc2[nH]ccc12,POIPQPSZZSDQRU-UHFFFAOYSA-N
+rxn:5:193506:223016:226663,COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCSCC4)nc3)c2)cc2[nH]ccc12,JPAGZALKRXKZQQ-UHFFFAOYSA-N
+rxn:5:193506:223017:226654,COC(=O)c1cccc2cc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4csc(N5CCC(C)CC5)n4)c3)[nH]c12,SIARWDYOGVSKMA-UHFFFAOYSA-N
+rxn:5:193506:223056:223016,COC(=O)c1cc(-c2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc2[nH]ccc12,HKDSBGDZFWTVFB-UHFFFAOYSA-N
+rxn:5:193506:223056:223017,COC(=O)c1cccc2cc(-c3cc(-c4ccc(N5CCC(O)CC5)nc4)ccc3S(=O)(=O)N3CCC(=O)CC3)[nH]c12,JEVQVTGCVXEIBL-UHFFFAOYSA-N
+rxn:5:193506:223056:225703,COC(=O)c1cc2cc(-c3cc(-c4ccc(N5CCC(O)CC5)nc4)ccc3S(=O)(=O)N3CCC(=O)CC3)ccc2s1,MMJOQLUXWNZWER-UHFFFAOYSA-N
+rxn:5:193506:223056:228343,COC(=O)c1sc(-c2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1C,IORKCEXNCGXUKB-UHFFFAOYSA-N
+rxn:5:193506:223056:228868,COC(=O)c1ccc(-c2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1,CGPPVLPDMRHDET-UHFFFAOYSA-N
+rxn:5:193506:223056:228869,COC(=O)c1cc(-c2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cs1,LEFOEFGUGFGHNU-UHFFFAOYSA-N
+rxn:5:193506:223056:228870,COC(=O)c1csc(-c2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,RYQRLTDHLLEILF-UHFFFAOYSA-N
+rxn:5:193506:223056:228871,COC(=O)c1ccsc1-c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,SJTIWFCYGQFYCY-UHFFFAOYSA-N
+rxn:5:193506:223056:228872,COC(=O)c1sccc1-c1cc(-c2ccc(N3CCC(O)CC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,KVZXEZOMEDPEDQ-UHFFFAOYSA-N
+rxn:5:193506:223056:229090,CC(=O)c1cc(-c2cc(-c3ccc(N4CCC(O)CC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cs1,FKVUHCXNKOWNOS-UHFFFAOYSA-N
+rxn:5:193506:223139:223054,CC(c1ccc(-c2cc(-c3ccc(C4CCNCC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,HZPKYQSHOQAVJY-UHFFFAOYSA-N
+rxn:5:193506:223139:227506,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)nc3)cc2-c2cccc(/C=C/[N+](=O)[O-])c2)CC1,PPVWGWAWGSFCNK-LICLKQGHSA-N
+rxn:5:193506:223139:227507,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)nc3)cc2-c2cccc(C=C[N+](=O)[O-])c2)CC1,PPVWGWAWGSFCNK-UHFFFAOYSA-N
+rxn:5:193506:223139:228487,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CCNCC4)nc3)cc2-c2cccc(F)c2[N+](=O)[O-])CC1,NZUQTKSFKFROEQ-UHFFFAOYSA-N
+rxn:5:193506:223139:228869,COC(=O)c1cc(-c2cc(-c3ccc(C4CCNCC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cs1,JSKLWRMRWYRAAK-UHFFFAOYSA-N
+rxn:5:193506:223139:228872,COC(=O)c1sccc1-c1cc(-c2ccc(C3CCNCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,ZQYALUBFZORDTO-UHFFFAOYSA-N
+rxn:5:193506:223141:228869,COC(=O)c1cc(-c2cc(-c3cncc(C4CCNCC4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cs1,TZJZUHAMDYCDFH-UHFFFAOYSA-N
+rxn:5:193506:223143:228695,CN(C)Cc1cc(-c2cc(-c3cccc(N4CCC(O)C4)c3)ccc2S(=O)(=O)N2CCC(=O)CC2)cs1,NRPORHZDKUMMSA-UHFFFAOYSA-N
+rxn:5:193506:223144:228695,CN(C)Cc1cc(-c2cc(-c3ccc(N4CCC(O)C4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cs1,FLJNWIPXGMBUNL-UHFFFAOYSA-N
+rxn:5:193506:223146:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2cccc(C3CNCCO3)c2)ccc1S(=O)(=O)N1CCC(=O)CC1,UAASVQWQUDDXSK-UHFFFAOYSA-N
+rxn:5:193506:223147:223054,CC(c1ccc(-c2cc(-c3ccc(C4CNCCO4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCC(O)C1,VEJTZFIZXLGSSL-UHFFFAOYSA-N
+rxn:5:193506:223147:226661,CN1CCN(c2csc(-c3cc(-c4ccc(C5CNCCO5)cc4)ccc3S(=O)(=O)N3CCC(=O)CC3)c2)CC1,JRJBAIFUFBVUSM-UHFFFAOYSA-N
+rxn:5:193506:223149:226426,CCOc1cc2cn[nH]c2cc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(N3CCC(C)CC3)s2)c1,CYTGRNOXGKUJIQ-UHFFFAOYSA-N
+rxn:5:193506:223259:225616,CC(=O)Nc1cc(C)c(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccccc3C(=O)N3CCCC3)c2)cn1,OKQLSGHMFTVAPZ-UHFFFAOYSA-N
+rxn:5:193506:223284:226583,CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(CN4CCOCC4)s3)c2)cc1,NKBQVBWTJDDHOJ-UHFFFAOYSA-N
+rxn:5:193506:223284:227404,CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCCCC4)cs3)c2)cc1,OGEVJJFYQUBITJ-UHFFFAOYSA-N
+rxn:5:193506:223284:227656,CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCOCC4)cs3)c2)cc1,VYLFDGOKYKYHGT-UHFFFAOYSA-N
+rxn:5:193506:223284:227657,CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCOCC4)s3)c2)cc1,YPANHKHYQAGLDL-UHFFFAOYSA-N
+rxn:5:193506:223284:228210,CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCCC4)s3)c2)cc1,BSHNTGZSNTVKDI-UHFFFAOYSA-N
+rxn:5:193506:223284:228211,CS(=O)(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCCC4)cs3)c2)cc1,LXNFHVUFYUXCIB-UHFFFAOYSA-N
+rxn:5:193506:223285:223142,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(C3CCCNC3)nc2)c1,AHKLGSAAKZSZSO-UHFFFAOYSA-N
+rxn:5:193506:223285:226583,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(CN3CCOCC3)s2)c1,ZTDKGHWKWAVWDB-UHFFFAOYSA-N
+rxn:5:193506:223285:227404,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cc(N3CCCCC3)cs2)c1,XIGMPULXKBBXRL-UHFFFAOYSA-N
+rxn:5:193506:223285:227656,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cc(N3CCOCC3)cs2)c1,WMPKRQXNGVXZLY-UHFFFAOYSA-N
+rxn:5:193506:223285:227657,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(N3CCOCC3)s2)c1,DGGRSLLLPOGLCP-UHFFFAOYSA-N
+rxn:5:193506:223285:228210,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(N3CCCC3)s2)c1,MZZRCMXIRSFHGG-UHFFFAOYSA-N
+rxn:5:193506:223285:228211,CS(=O)(=O)Nc1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cc(N3CCCC3)cs2)c1,DAXIHGCASHSESF-UHFFFAOYSA-N
+rxn:5:193506:223286:226583,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(CN4CCOCC4)s3)c2)c1,KVRDVLBSCLQWRB-UHFFFAOYSA-N
+rxn:5:193506:223286:227404,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCCCC4)cs3)c2)c1,KAXIPALIWIXREY-UHFFFAOYSA-N
+rxn:5:193506:223286:227657,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCOCC4)s3)c2)c1,ITPMHWKKMCHUHJ-UHFFFAOYSA-N
+rxn:5:193506:223286:228210,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCCC4)s3)c2)c1,WXEWJPFWHGDCRU-UHFFFAOYSA-N
+rxn:5:193506:223286:228211,CS(=O)(=O)Nc1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCCC4)cs3)c2)c1,NOHNDSIOAXFLSS-UHFFFAOYSA-N
+rxn:5:193506:223287:223146,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cccc(C4CNCCO4)c3)c2)cc1,BLTAQNZQYBGARA-UHFFFAOYSA-N
+rxn:5:193506:223287:227656,CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCOCC4)cs3)c2)cc1,WZUQEQQDZZIFJN-UHFFFAOYSA-N
+rxn:5:193506:223288:227656,CNS(=O)(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCOCC4)cs3)c2)c1,XNGURNJNZHQBCP-UHFFFAOYSA-N
+rxn:5:193506:223289:223146,CNS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cccc(C3CNCCO3)c2)c1,SOZQWOXFQYNPLC-UHFFFAOYSA-N
+rxn:5:193506:223289:223200,CNS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(C3CCNC3)cc2)c1,SOIWDCGPIYZEGU-UHFFFAOYSA-N
+rxn:5:193506:223289:227654,CNS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2ccc(C3OCCO3)nc2)c1,MVSSNZZLTUDOLZ-UHFFFAOYSA-N
+rxn:5:193506:223289:227656,CNS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cc(N3CCOCC3)cs2)c1,MIFIMTRGRIVINB-UHFFFAOYSA-N
+rxn:5:193506:223289:227684,CNS(=O)(=O)c1ccccc1-c1ccc(S(=O)(=O)N2CCC(=O)CC2)c(-c2cnn(CC3OCCO3)c2)c1,RHQAIBNZFUTYQH-UHFFFAOYSA-N
+rxn:5:193506:223295:227656,CS(=O)(=O)Nc1cncc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3cc(N4CCOCC4)cs3)c2)c1,QAKMQHFMFJKRBA-UHFFFAOYSA-N
+rxn:5:193506:223306:225805,CC(c1ccc(-c2cc(-c3ccc4c(c3)CNCC4)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,BNBCQVHLDTYHQJ-UHFFFAOYSA-N
+rxn:5:193506:223343:225805,CC(c1ccc(-c2cc(-c3ccc4c(c3)NC(=O)C4)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,FVLXRGHYARALEA-UHFFFAOYSA-N
+rxn:5:193506:223345:225607,CC(c1ccc(-c2cc(-c3cccc4c3NC(=O)C4)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCCCC1,XADWIZTZAHRGOP-UHFFFAOYSA-N
+rxn:5:193506:223345:225805,CC(c1ccc(-c2cc(-c3cccc4c3NC(=O)C4)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,COCPRQOWWJTUEK-UHFFFAOYSA-N
+rxn:5:193506:223345:226330,CC(c1ccc(-c2cc(-c3cccc4c3NC(=O)C4)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCCC1,HOUQABLDHQYJKF-UHFFFAOYSA-N
+rxn:5:193506:223348:225805,CC(c1ccc(-c2cc(-c3ccc4c(c3)C(=O)NC4)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCOCC1,CETLVTYIFPEHSR-UHFFFAOYSA-N
+rxn:5:193506:223384:223142,CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(C4CCCNC4)nc3)c2)cn1,XALFCZRWKWZAMD-UHFFFAOYSA-N
+rxn:5:193506:223388:225818,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)O)cc3)cc2-c2ccc(C(F)(F)F)cc2C2CC2)CC1,UFIGCOAGQVEWCV-UHFFFAOYSA-N
+rxn:5:193506:223388:225819,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)O)cc3)cc2-c2cc(C(F)(F)F)ccc2C2CC2)CC1,CZSJSLVSQWBOJB-UHFFFAOYSA-N
+rxn:5:193506:223388:225821,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)O)cc3)cc2-c2ccc(C3CC3)c(C(F)(F)F)c2)CC1,BDODCPAUCACPHP-UHFFFAOYSA-N
+rxn:5:193506:223388:225824,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)O)cc3)cc2-c2cc(C3CC3)cc(C(F)(F)F)c2)CC1,IBJBNBWCMXEGMG-UHFFFAOYSA-N
+rxn:5:193506:225679:229013,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)cc3F)cc2-c2sccc2C2CC2)CC1,KPJZTHICLGIASS-UHFFFAOYSA-N
+rxn:5:193506:225805:223242,CC(c1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccnc(C4CCNC4)c3)c2)s1)N1CCOCC1,OOTUHSKPITXWQC-UHFFFAOYSA-N
+rxn:5:193506:225805:223244,COc1cc2[nH]ncc2cc1-c1cc(-c2ccc(C(C)N3CCOCC3)s2)ccc1S(=O)(=O)N1CCC(=O)CC1,QDPWBGLFUILITM-UHFFFAOYSA-N
+rxn:5:193506:225819:223388,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)ccc3C3CC3)cc2-c2ccc(S(=O)(=O)O)cc2)CC1,BJSLTQCPHWVOJB-UHFFFAOYSA-N
+rxn:5:193506:225824:223388,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(C(F)(F)F)c3)cc2-c2ccc(S(=O)(=O)O)cc2)CC1,HSQNLDVBXCBDAA-UHFFFAOYSA-N
+rxn:5:193506:225849:227403,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(N4CCCCC4)cc3F)cc2-c2ccc(N3CCCCC3)s2)CC1,HBQHOLJBBIEDTB-UHFFFAOYSA-N
+rxn:5:193506:225868:228570,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCOCC4)c(F)c3)cc2-c2cncc(C3CC3)c2)CC1,XMXBASQDYQBHTG-UHFFFAOYSA-N
+rxn:5:193506:225872:227295,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)c(F)c(N4CCCC4)c3)cc2-c2ccnc(OC3CCC3)c2)CC1,BTVRMSYTUWHSAZ-UHFFFAOYSA-N
+rxn:5:193506:225941:228530,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)c(C(F)(F)F)c3)cc2-c2ccc3c(c2)OCC3)CC1,VBJKTQMUNJUJES-UHFFFAOYSA-N
+rxn:5:193506:226364:228077,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)nc3)cc2-c2ccc3c(c2)C(=O)OC3)CC1,PRYPGIWNGDTISC-UHFFFAOYSA-N
+rxn:5:193506:226424:223014,COC(=O)c1cccc2[nH]c(-c3cc(-c4cc(N5CCCC(C)C5)cs4)ccc3S(=O)(=O)N3CCC(=O)CC3)cc12,VMWUHIIPFZXKKR-UHFFFAOYSA-N
+rxn:5:193506:226427:223016,COC(=O)c1cc(-c2cc(-c3cc(N4CCC(C)CC4)cs3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc2[nH]ccc12,TYPXNAVCXJEKSN-UHFFFAOYSA-N
+rxn:5:193506:226441:228692,CN(C)Cc1ccc(-c2cc(-c3ccc(N4CCCC4)cc3F)ccc2S(=O)(=O)N2CCC(=O)CC2)s1,BGZFDPGJXVMDLV-UHFFFAOYSA-N
+rxn:5:193506:226452:225986,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4OCCCO4)cc3)cc2-c2ccccc2N2CCCS2(=O)=O)CC1,OOLUVTSZSRKDQB-UHFFFAOYSA-N
+rxn:5:193506:226452:226330,CC(c1ccc(-c2cc(-c3ccc(C4OCCCO4)cc3)ccc2S(=O)(=O)N2CCC(=O)CC2)s1)N1CCCC1,UQMYJIZYXHEIAM-UHFFFAOYSA-N
+rxn:5:193506:226466:228803,CN1C(=O)COc2cc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4cc([Si](C)(C)C)cs4)c3)ccc21,QGOGUIPBTLITMH-UHFFFAOYSA-N
+rxn:5:193506:226583:223284,CS(=O)(=O)Nc1ccc(-c2cc(-c3ccc(CN4CCOCC4)s3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1,XRSKNPGBQUFTGA-UHFFFAOYSA-N
+rxn:5:193506:226649:223016,COC(=O)c1cc(-c2cc(-c3cccnc3N3CCOCC3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc2[nH]ccc12,CPKFGLRABPTBJS-UHFFFAOYSA-N
+rxn:5:193506:226663:223014,COC(=O)c1cccc2[nH]c(-c3cc(-c4ccc(N5CCSCC5)nc4)ccc3S(=O)(=O)N3CCC(=O)CC3)cc12,MCNIUJFCSLZECB-UHFFFAOYSA-N
+rxn:5:193506:226663:223016,COC(=O)c1cc(-c2cc(-c3ccc(N4CCSCC4)nc3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc2[nH]ccc12,OTSGYMKXUUKEPV-UHFFFAOYSA-N
+rxn:5:193506:226729:228487,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc(OC4CCOC4)nc3)cc2-c2cccc(F)c2[N+](=O)[O-])CC1,INRVIFLGPMGKEI-UHFFFAOYSA-N
+rxn:5:193506:226794:222420,NS(=O)(=O)c1ccccc1-c1cc(-c2cnc(N3CCSCC3)nc2)ccc1S(=O)(=O)N1CCC(=O)CC1,MDWKBHHGYWDSFY-UHFFFAOYSA-N
+rxn:5:193506:226883:228629,O=C1CCN(S(=O)(=O)c2ccc(-c3c(F)ccc(C(F)(F)F)c3F)cc2-c2ccc(C3CCC3)s2)CC1,HQPQBVPQCHAVED-UHFFFAOYSA-N
+rxn:5:193506:227403:227940,CCc1cc(SC)cc(-c2cc(-c3ccc(N4CCCCC4)s3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,GXEXFEVTEQKNEG-UHFFFAOYSA-N
+rxn:5:193506:227446:225986,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4OCCO4)cc3)cc2-c2ccccc2N2CCCS2(=O)=O)CC1,VYUGMJKAKRCXAA-UHFFFAOYSA-N
+rxn:5:193506:227452:225986,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C4OCCO4)c3)cc2-c2ccccc2N2CCCS2(=O)=O)CC1,IEJNBMGATYDILD-UHFFFAOYSA-N
+rxn:5:193506:227458:227780,CN1CCOc2cc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4c(F)ccc([N+](=O)[O-])c4F)c3)cnc21,ZZJOAHNGFZYBGJ-UHFFFAOYSA-N
+rxn:5:193506:227506:223139,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(/C=C/[N+](=O)[O-])c3)cc2-c2ccc(C3CCNCC3)nc2)CC1,VPIYFFAXIJASIL-LICLKQGHSA-N
+rxn:5:193506:227507:223139,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc(C=C[N+](=O)[O-])c3)cc2-c2ccc(C3CCNCC3)nc2)CC1,VPIYFFAXIJASIL-UHFFFAOYSA-N
+rxn:5:193506:227517:227501,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(OC4COC4)nc3)cc2-c2ccc(C=C[N+](=O)[O-])cc2)CC1,QVUQLXRMJGMPSJ-UHFFFAOYSA-N
+rxn:5:193506:227517:227505,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(OC4COC4)nc3)cc2-c2ccc(/C=C/[N+](=O)[O-])cc2)CC1,QVUQLXRMJGMPSJ-NTEUORMPSA-N
+rxn:5:193506:227656:223014,COC(=O)c1cccc2[nH]c(-c3cc(-c4cc(N5CCOCC5)cs4)ccc3S(=O)(=O)N3CCC(=O)CC3)cc12,UHHNXXRNLIJYAE-UHFFFAOYSA-N
+rxn:5:193506:227656:223016,COC(=O)c1cc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc2[nH]ccc12,UPQCFUMXZDMBGT-UHFFFAOYSA-N
+rxn:5:193506:227656:223284,CS(=O)(=O)Nc1ccc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1,WUDWFKVWTOQCFA-UHFFFAOYSA-N
+rxn:5:193506:227656:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2cc(N3CCOCC3)cs2)ccc1S(=O)(=O)N1CCC(=O)CC1,UUOOACNCGYCAFT-UHFFFAOYSA-N
+rxn:5:193506:227656:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,TUAGIQVNXUUVGF-UHFFFAOYSA-N
+rxn:5:193506:227656:223287,CNS(=O)(=O)c1ccc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1,UCXSBHFPSFMCDV-UHFFFAOYSA-N
+rxn:5:193506:227656:223289,CNS(=O)(=O)c1ccccc1-c1cc(-c2cc(N3CCOCC3)cs2)ccc1S(=O)(=O)N1CCC(=O)CC1,SWIVNZGDKDWSJM-UHFFFAOYSA-N
+rxn:5:193506:227656:223388,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCOCC4)cs3)cc2-c2ccc(S(=O)(=O)O)cc2)CC1,FOVTYXCAFDEMAY-UHFFFAOYSA-N
+rxn:5:193506:227656:225986,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(N4CCOCC4)cs3)cc2-c2ccccc2N2CCCS2(=O)=O)CC1,DIRJCZSGXFGTOR-UHFFFAOYSA-N
+rxn:5:193506:227656:226335,N#Cc1cc(-c2cc(-c3cc(N4CCOCC4)cs3)ccc2S(=O)(=O)N2CCC(=O)CC2)ccc1C1COC1,WMPZTRPZSLMEJR-UHFFFAOYSA-N
+rxn:5:193506:227657:223016,COC(=O)c1cc(-c2cc(-c3ccc(N4CCOCC4)s3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc2[nH]ccc12,RCNPCUDYSKEPKF-UHFFFAOYSA-N
+rxn:5:193506:227657:223284,CS(=O)(=O)Nc1ccc(-c2cc(-c3ccc(N4CCOCC4)s3)ccc2S(=O)(=O)N2CCC(=O)CC2)cc1,ZONHDLZIQTYCJM-UHFFFAOYSA-N
+rxn:5:193506:227657:223285,CS(=O)(=O)Nc1ccccc1-c1cc(-c2ccc(N3CCOCC3)s2)ccc1S(=O)(=O)N1CCC(=O)CC1,LTMCUNNEFXYKSK-UHFFFAOYSA-N
+rxn:5:193506:227657:223286,CS(=O)(=O)Nc1cccc(-c2cc(-c3ccc(N4CCOCC4)s3)ccc2S(=O)(=O)N2CCC(=O)CC2)c1,BZDDDBNKJJBZOS-UHFFFAOYSA-N
+rxn:5:193506:228064:225872,O=C1CCN(S(=O)(=O)c2ccc(-c3cnc4c(c3)C(=O)CC4)cc2-c2cc(F)c(F)c(N3CCCC3)c2)CC1,DKESUTWWNMDKAK-UHFFFAOYSA-N
+rxn:5:193506:228480:226191,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(F)ccc3[N+](=O)[O-])cc2-c2cc(C3CCCC3)ccc2F)CC1,MACWYTWMHWKUKB-UHFFFAOYSA-N
+rxn:5:193506:228490:225602,N#CC1(c2ccc(F)c(-c3cc(-c4cccc(S(=O)(=O)F)c4)ccc3S(=O)(=O)N3CCC(=O)CC3)c2)CCC1,MPLVCWATCGXJHZ-UHFFFAOYSA-N
+rxn:5:193506:228531:225672,O=C1CCN(S(=O)(=O)c2ccc(-c3cccc4c3CCO4)cc2-c2cc(F)nc(C3CCCCC3)c2)CC1,SBWKPXITGJZTKA-UHFFFAOYSA-N
+rxn:5:193506:228559:225679,CCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(=O)CC3)c(-c3ccc(N4CCCCC4)cc3F)c2)cc1,UDBNSWHPWABPSN-UHFFFAOYSA-N
+rxn:5:193506:228970:225577,N#Cc1cc(N2CCCC2)ccc1-c1cc(-c2ccc(C(F)(F)F)s2)ccc1S(=O)(=O)N1CCC(=O)CC1,JADRGKWLMPCGKU-UHFFFAOYSA-N
+rxn:5:193752:226464:223218,COc1ccc2c(c1-c1ccc(C(=O)N3CCCC(C)C3)cc1-c1ccc3c(c1C)NCCO3)OCCO2,LYUCRLRKHIGALQ-UHFFFAOYSA-N
+rxn:5:193755:226679:227710,CC1CCCN(C(=O)c2cccc(-c3cnc(N4CCCC4)cc3F)c2-c2ccc(OS(C)(=O)=O)cc2)C1,KVZNGEPVGBZRDC-UHFFFAOYSA-N
+rxn:5:193807:226781:226182,Cc1cc(OC(F)(F)F)cc(-c2c(CN3CCC(C)CC3)cccc2-c2cccnc2C2CCCCC2)c1,SRVGWEJZYHWCPF-UHFFFAOYSA-N
+rxn:5:193869:226366:228176,COCc1ccc(-c2cc(S(=O)(=O)N3CCCCC3)c(-c3ccnc(N4CCCCC4)c3)cc2C)cc1F,MQJJVXQNDAHQSF-UHFFFAOYSA-N
+rxn:5:193869:228019:226679,CC(=O)c1ccc(C)c(-c2cc(C)c(-c3cnc(N4CCCC4)cc3F)cc2S(=O)(=O)N2CCCCC2)c1,DLHLLMGESIAFEG-UHFFFAOYSA-N
+rxn:5:193869:228241:226366,CC(=O)c1cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)ccc1F,BKDBKMMMTLZQBA-UHFFFAOYSA-N
+rxn:5:193869:228245:226366,CC(=O)c1ccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)cc1F,NFJURCHYBOAFHD-UHFFFAOYSA-N
+rxn:5:193869:228248:226366,CC(=O)c1ccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)c(F)c1,ILWHWQVCNBARIM-UHFFFAOYSA-N
+rxn:5:193869:228271:226364,COc1cc(C)c(-c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)cc1F,PNMGNCLPNRWSTG-UHFFFAOYSA-N
+rxn:5:193869:228512:225633,CC#Cc1cccc(-c2cc(C)c(-c3ccc(N4CCCCCC4)nc3)cc2S(=O)(=O)N2CCCCC2)c1,CRSRFQJSMMLOAR-UHFFFAOYSA-N
+rxn:5:193869:228516:225833,CCc1cc(C)cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3F)cc2S(=O)(=O)N2CCCCC2)c1,HSLRNIKBWOLCHP-UHFFFAOYSA-N
+rxn:5:193869:228577:225454,CC#Cc1cncc(-c2cc(C)c(-c3ccc(C4=CCN(C)CC4)cc3)cc2S(=O)(=O)N2CCCCC2)c1,FJZQAQGESUHGOQ-UHFFFAOYSA-N
+rxn:5:193869:228587:225834,Cc1cc(C#N)cc(-c2cc(C)c(-c3cc(N4CCCCC4)ncc3F)cc2S(=O)(=O)N2CCCCC2)c1,HVINWPSWTFGMDP-UHFFFAOYSA-N
+rxn:5:193869:229062:225672,Cc1cc(-c2ccc(C#N)n2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(F)nc(C2CCCCC2)c1,WZMIDJIXUXQGKV-UHFFFAOYSA-N
+rxn:5:193869:229075:225666,Cc1cc(-c2cc(C)c(C#N)s2)c(S(=O)(=O)N2CCCCC2)cc1-c1cc(F)cc(N2CCCCC2)c1,YOOAKZOUQLEGRJ-UHFFFAOYSA-N
+rxn:5:193869:229076:225674,Cc1cc(-c2sc(C#N)cc2C)c(S(=O)(=O)N2CCCCC2)cc1-c1cnc(C2CCCCC2)cc1F,VUTQDKPEVYPNMU-UHFFFAOYSA-N
+rxn:5:193870:223240:227507,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cccc(C=C[N+](=O)[O-])c2)cc1-c1ccc(C2CCNC2)nc1,YADJCGHFYLEGRB-UHFFFAOYSA-N
+rxn:5:193870:223312:223147,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(C3CNCCO3)cc2)cc1-c1ccc(C2CNC2)cc1,MEBCVCCPOLJHMU-UHFFFAOYSA-N
+rxn:5:193870:226181:228189,CCSc1ccc(F)c(-c2cc(-c3ccc(C4=CCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)c1,WVDSRUDHSPCECS-UHFFFAOYSA-N
+rxn:5:193870:226364:228271,COc1cc(C)c(-c2cc(-c3ccc(N4CCCCC4)nc3)c(C)cc2S(=O)(=O)N2CCCCC2)cc1F,FTMQVQFISJWMRH-UHFFFAOYSA-N
+rxn:5:193870:226366:228180,COCc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)ccc1F,JJDLHKWTWWPUKH-UHFFFAOYSA-N
+rxn:5:193870:226366:228248,CC(=O)c1ccc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)c(F)c1,UPZUOIUGRPUOGR-UHFFFAOYSA-N
+rxn:5:193870:226663:223389,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2c(C)n[nH]c2C(F)(F)F)cc1-c1ccc(N2CCSCC2)nc1,RRHZIVNWPSODAE-UHFFFAOYSA-N
+rxn:5:193870:227409:228210,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2ccc(N3CCCC3)s2)cc1-c1cc(C(C)(C)C)ncc1F,ABKFFFURVKKISL-UHFFFAOYSA-N
+rxn:5:193870:227458:227413,Cc1cc(S(=O)(=O)N2CCCCC2)c(-c2cnc(C3CCC3)cc2F)cc1-c1cnc2c(c1)OCCN2C,VFXWJSPPIYHOSR-UHFFFAOYSA-N
+rxn:5:193870:228176:226366,COCc1ccc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)cc1F,UOJOMKRKKROKKL-UHFFFAOYSA-N
+rxn:5:193870:228180:226366,COCc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)ccc1F,FBKNVLQQGHJJHJ-UHFFFAOYSA-N
+rxn:5:193870:228588:225576,CC#Cc1cc(-c2cc(-c3ccc(N4CCCC4)c(C#N)c3)c(S(=O)(=O)N3CCCCC3)cc2C)ccn1,ZUMGYBJDVIBJJZ-UHFFFAOYSA-N
+rxn:5:193870:228923:225637,CSc1ccnc(F)c1-c1cc(-c2ccccc2N2CCN(C)CC2)c(S(=O)(=O)N2CCCCC2)cc1C,RUANUVLNTUNGQQ-UHFFFAOYSA-N
+rxn:5:193871:223148:227450,O=C(c1ccc(-c2cccc(C3CC3(F)F)c2)c(-c2ccccc2C2CNCCO2)c1)N1CCC2(CC1)CC2,DQZDRFVBXPMDSJ-UHFFFAOYSA-N
+rxn:5:193871:225437:225605,Cc1cnc(OC2CCCC2)c(-c2ccc(C(=O)N3CCC4(CC3)CC4)cc2-c2cccc(CN3CCCCC3)c2)c1,BTPWDHKDLZPTGN-UHFFFAOYSA-N
+rxn:5:193871:225587:225435,O=C(c1ccc(-c2ccccc2CN2CCCCC2)c(-c2cccc(CN3CCOCC3)c2)c1)N1CCC2(CC1)CC2,BNOVYVVHBLJNNY-UHFFFAOYSA-N
+rxn:5:193871:225674:226438,O=C(c1ccc(-c2cnc(C3CCCC3)cc2F)c(-c2cnc(C3CCCCC3)cc2F)c1)N1CCC2(CC1)CC2,NYJBWXQSXCBQSA-UHFFFAOYSA-N
+rxn:5:193871:226333:228292,O=C(c1cccc(-c2cc(C(=O)N3CCC4(CC3)CC4)ccc2-c2ccnc3c2OCCO3)c1)N1CCC1,KPBDTSWXXVDXDM-UHFFFAOYSA-N
+rxn:5:193871:226437:227413,O=C(c1ccc(-c2cnc(C3CCC3)cc2F)c(-c2cc(C3CCCC3)ncc2F)c1)N1CCC2(CC1)CC2,INLMHHKCNTYUHX-UHFFFAOYSA-N
+rxn:5:193871:226844:227207,O=C1CCOc2c1cccc2-c1ccc(C(=O)N2CCC3(CC2)CC3)cc1-c1ccnc(C(=O)C(F)(F)F)c1,DXEBAWHPMQQQJP-UHFFFAOYSA-N
+rxn:5:193871:227525:226447,CCc1cnc(C(F)F)cc1-c1cc(C(=O)N2CCC3(CC2)CC3)ccc1-c1ccnc(C2CCOCC2)c1,GYEKPAWNXOQSGL-UHFFFAOYSA-N
+rxn:5:193912:227808:225985,O=C1CS(=O)C(c2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2)C(=O)N1c1ccc(-c2ccc3c(c2)CCCC3)cc1,UKEFDSUTMMERLE-UHFFFAOYSA-N
+rxn:5:193968:226767:228653,COc1ccc(C(F)(F)F)c(-c2ccc(-c3cnn4c3CCCC4)c(CN3CCC4(CC3)OCCO4)c2)c1,DUTYJPOGSBUZOO-UHFFFAOYSA-N
+rxn:5:193968:228687:225633,CCSc1ccc(-c2ccc(-c3ccc(N4CCCCCC4)nc3)c(CN3CCC4(CC3)OCCO4)c2)cn1,OKTRBFYOVNSKLZ-UHFFFAOYSA-N
+rxn:5:193972:222420:223135,Cc1cc(-c2ccccc2S(N)(=O)=O)c(S(=O)(=O)N2CCCCCC2)cc1-c1cccnc1C1CCCNC1,IHHOPQJLLXLBCB-UHFFFAOYSA-N
+rxn:5:193972:223148:227710,Cc1cc(-c2ccccc2C2CNCCO2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(OS(C)(=O)=O)cc1,IEKOCMBGZZTWGQ-UHFFFAOYSA-N
+rxn:5:193972:225649:225679,Cc1cc(-c2ccc(-n3ccnc3C)cc2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCC2)cc1F,SZCHUKJHDWDIBK-UHFFFAOYSA-N
+rxn:5:193972:225853:225636,Cc1cc(-c2ccc(-n3ccnc3C)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccnc(N2CCC(C)CC2)c1,ILJYFOGUUVHHEP-UHFFFAOYSA-N
+rxn:5:193972:226431:228764,COc1nccc(-c2cc(S(=O)(=O)N3CCCCCC3)c(-c3ccc(N4CCCC4)c(F)c3)cc2C)c1C,SIHAECDPRADQQD-UHFFFAOYSA-N
+rxn:5:193972:227100:228703,Cc1cc(-c2c(C)cc(C3CC3)cc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1cnn(C2CCC2)c1,WXWUMPFNIAYIKO-UHFFFAOYSA-N
+rxn:5:193972:227438:222420,Cc1cc(-c2ccnc(C3CCOC3)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1S(N)(=O)=O,VSNDFXZSYPJQGN-UHFFFAOYSA-N
+rxn:5:193972:228176:227387,COCc1ccc(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1F,KCVPQWVHGQFVFS-UHFFFAOYSA-N
+rxn:5:193972:228245:227387,CC(=O)c1ccc(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)cc1F,HJEFWEQVKJPFRG-UHFFFAOYSA-N
+rxn:5:193972:228512:226364,CC#Cc1cccc(-c2cc(C)c(-c3ccc(N4CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)c1,PGEJRIAQEHXWPJ-UHFFFAOYSA-N
+rxn:5:193972:228516:223062,CCc1cc(C)cc(-c2cc(C)c(-c3cnc(C4CCNCC4)cc3F)cc2S(=O)(=O)N2CCCCCC2)c1,SVZVKOGXSXQRAB-UHFFFAOYSA-N
+rxn:5:193972:228564:227784,CCC(C)c1ccc(-c2cc(C)c(-c3cc(F)c(F)c([N+](=O)[O-])c3)cc2S(=O)(=O)N2CCCCCC2)s1,NGZARZQQTDDXNC-UHFFFAOYSA-N
+rxn:5:193972:228577:226164,CC#Cc1cncc(-c2cc(C)c(-c3ccc(N4CCCCC4)cc3)cc2S(=O)(=O)N2CCCCCC2)c1,NFSCGFDSJBCDRQ-UHFFFAOYSA-N
+rxn:5:193972:228594:226181,CCc1cc(-c2cc(C)c(-c3ccc(C4=CCCCC4)nc3)cc2S(=O)(=O)N2CCCCCC2)cc(C)n1,GLQKEORHBALNJZ-UHFFFAOYSA-N
+rxn:5:193972:228649:226395,Cc1cc(C)c(-c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,ZCJBDUVZVWCROZ-UHFFFAOYSA-N
+rxn:5:193972:228890:225656,Cc1cc(-c2cnc(F)c(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCCC2C)c1,BHGYXVDZIACOHF-UHFFFAOYSA-N
+rxn:5:193972:228981:225636,CCc1cccc(-c2cc(C)c(-c3ccnc(N4CCC(C)CC4)c3)cc2S(=O)(=O)N2CCCCCC2)c1,HXNAFBDKCQKBBD-UHFFFAOYSA-N
+rxn:5:193972:228987:225833,Cc1cc(C)cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3F)cc2S(=O)(=O)N2CCCCCC2)c1,JPWNPZPTTSBYSP-UHFFFAOYSA-N
+rxn:5:193972:229001:225631,CCc1cnccc1-c1cc(C)c(-c2ccc(N3CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCCCCC1,MSEMXTABVHTVAS-UHFFFAOYSA-N
+rxn:5:193972:229037:225654,Cc1ccc(-c2cc(C)c(-c3ccc(N4CCCC(C)C4)nc3)cc2S(=O)(=O)N2CCCCCC2)cc1F,MKDLMGZIJXPBDS-UHFFFAOYSA-N
+rxn:5:193972:229041:225633,Cc1cc(-c2c(C)cccc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,VDCJLCSAZHEXDT-UHFFFAOYSA-N
+rxn:5:193972:229041:225654,Cc1cc(-c2c(C)cccc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCC(C)C2)nc1,RKOFSSUDXAGKEI-UHFFFAOYSA-N
+rxn:5:193972:229055:225637,Cc1cc(-c2cncc(C#N)c2)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccccc1N1CCN(C)CC1,NRNIXXSKANVJLE-UHFFFAOYSA-N
+rxn:5:193972:229107:225638,Cc1cc(-c2c(C)cncc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCC(C)CC2)nc1,JHCLTAUSUVIMEQ-UHFFFAOYSA-N
+rxn:5:193972:229121:225652,Cc1cc(-c2cncc(F)c2C)c(S(=O)(=O)N2CCCCCC2)cc1-c1cncc(N2CCCC(C)C2)c1,NRWJQRDZACAXSJ-UHFFFAOYSA-N
+rxn:5:193972:229134:225638,Cc1cc(-c2cc(F)ccc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCC(C)CC2)nc1,BIVWVDHQPNZMBF-UHFFFAOYSA-N
+rxn:5:194561:227792:227746,O=C(c1cc(-c2ccnc(C(F)(F)F)c2F)ccc1-c1cccc(C(F)(F)F)c1F)N1C2CCC1COC2,NELUPRTXFFXKQF-UHFFFAOYSA-N
+rxn:5:194575:226158:225461,Cc1cc(N2CCCCC2)ccc1-c1cc2c(s1)CCN(S(=O)(=O)c1ccccc1-c1ccccc1N1CCCCC1)C2,OTEBJIPVOGTEIQ-UHFFFAOYSA-N
+rxn:5:194575:226469:225679,CN1C(=O)COc2ccc(-c3ccccc3S(=O)(=O)N3CCc4sc(-c5ccc(N6CCCCC6)cc5F)cc4C3)cc21,PTKIXAPPFTYKAW-UHFFFAOYSA-N
+rxn:5:194660:226029:225394,CCOc1c(F)c(F)c(-c2ccc3c(c2)CN(Cc2ccc(-c4cc(C5CCC5)cc(C5CC5)c4)cc2)C(=O)CO3)c(F)c1F,APJFQAISEQXYIT-UHFFFAOYSA-N
+rxn:5:194733:225602:223142,N#CC1(c2ccc(F)c(-c3ccc(-c4ccc(C5CCCNC5)nc4)c(C(=O)N4C5CCC4CC(=C4CC4)C5)c3)c2)CCC1,FKYJVMSIPWXFLM-UHFFFAOYSA-N
+rxn:5:194767:223006:222417,CC(C)c1[nH]c(=O)ncc1-c1ccc(-c2ccc(F)c(C3CCNCC3)c2)cc1C(=O)N1CCCC2(C1)OC(=O)c1ccccc12,JLYWUJOQRTVVSR-UHFFFAOYSA-N
+rxn:5:194767:223061:223378,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(C5CCNCC5)ncc4F)ccc3-c3cnc4c(c3)NCCO4)C2)c2ccccc21,NLCQLKOSDXERRX-UHFFFAOYSA-N
+rxn:5:194767:226664:227020,O=C1OC2(CCCN(C(=O)c3cc(-c4cc(N5CCCC5)ncc4F)ccc3-c3cncc(C#CC4CC4)c3)C2)c2ccccc21,HQIDLRYEQDTUEB-UHFFFAOYSA-N
+rxn:5:194791:227656:228385,Cc1cc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccccc5-c5cc(N6CCOCC6)cs5)C(=O)C34)cc2)ccc1[N+](=O)[O-],FMXBVSVMKPSGCN-UHFFFAOYSA-N
+rxn:5:194791:228686:229049,CCOc1cc(-c2ccccc2N2C(=O)C3C(c4ccc(-c5cnc6n5CCC6)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)ccn1,ALBBQHJUKJSFDL-UHFFFAOYSA-N
+rxn:5:194792:226425:226662,CC1CCCCN1c1ccc(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc(-c6ccc(N7CCN(C)CC7)s6)cc5)C(=O)C34)cc2)s1,LMNVBKBGQRDUNQ-UHFFFAOYSA-N
+rxn:5:194792:228257:227187,COc1cc(C)cc(F)c1-c1ccc(C2OC3(C(=O)c4ccccc4C3=O)C3C(=O)N(c4ccc(-c5cccc6c5CN(C)C6=O)cc4)C(=O)C23)cc1,OGWRTXBPRPLERB-UHFFFAOYSA-N
+rxn:5:196188:223063:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCC2)c(-c2cc(F)nc(C3CCNCC3)c2)c1,DLCJFMLLRXRGOV-UHFFFAOYSA-N
+rxn:5:196198:223065:225986,O=C1C=CC(=O)N1c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,IULZEBYSRUUUHC-UHFFFAOYSA-N
+rxn:5:196198:225679:225986,O=C1C=CC(=O)N1c1ccc(-c2ccc(N3CCCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,VZTNIYHNZGIEJH-UHFFFAOYSA-N
+rxn:5:196198:226441:225986,O=C1C=CC(=O)N1c1ccc(-c2ccc(N3CCCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,YFKZATABCINNLH-UHFFFAOYSA-N
+rxn:5:196408:223148:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2=NOCCO2)c(-c2ccccc2C2CNCCO2)c1,UNJKXTNVEDKDSS-UHFFFAOYSA-N
+rxn:5:196618:225925:225833,Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(-c2ccnc(N3CCCCC3)c2F)c(N2CCCC2=O)c1,BLYVFRNGBVKBEL-UHFFFAOYSA-N
+rxn:5:196618:225931:225833,Cc1cc(-c2ccc(-c3ccnc(N4CCCCC4)c3F)c(N3CCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,QYORLGGHMJTIDI-UHFFFAOYSA-N
+rxn:5:196670:225514:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(-c2cccc3c2OCC2(CC2)CO3)c1C1CCCC1,NQZHRCOQGKYFHH-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:5:196791:226679:225982,O=C1COCCN1c1cccc(-c2cnc(N3CCCC3)cc2F)c1-c1cnc(N2CCOCC2)cc1F,MGYDCEUHGMOYKB-UHFFFAOYSA-N
+rxn:5:196858:223064:223063,Fc1cc(-c2cc(C3CCOCC3)ncc2-c2ccc(C3CCNCC3)nc2F)cc(C2CCNCC2)n1,LJADZUCAZLAYRH-UHFFFAOYSA-N
+rxn:5:196917:226581:225938,CN(C)C(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)ncc3C3CC3)cc2C2=NC(C)(C)CO2)c1F,LHVNTWMTVXKWSL-UHFFFAOYSA-N
+rxn:5:196918:227403:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2c(-c3ccc(N4CCCCC4)s3)cccc2N2CCCCC2=O)c1,OMNQXUYALAHFOL-UHFFFAOYSA-N
+rxn:5:196919:222989:225986,Cc1cc(N2CCNCC2)ccc1-c1ccc(C2=NC(C)(C)CO2)c(-c2ccccc2N2CCCS2(=O)=O)c1,QDINSLDTZXFSJA-UHFFFAOYSA-N
+rxn:5:196922:225679:225986,O=C1CCCCN1c1cc(-c2ccc(N3CCCCC3)cc2F)cc(-c2ccccc2N2CCCS2(=O)=O)c1,QODSNZWFYCDTCG-UHFFFAOYSA-N
+rxn:5:196922:226441:225986,O=C1CCCCN1c1cc(-c2ccc(N3CCCC3)cc2F)cc(-c2ccccc2N2CCCS2(=O)=O)c1,DCOVYEAFWFYUMY-UHFFFAOYSA-N
+rxn:5:196969:222988:223002,Cc1cc(-c2cnc(C3CCCCC3)cc2-c2ccc(C3CCNCC3)cc2F)cc(C2CCNCC2)n1,BBIMIFRNFRUTMC-UHFFFAOYSA-N
+rxn:5:196969:223147:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(C2CCCCC2)ncc1-c1ccc(C2CNCCO2)cc1,OPBCGWRWESVMAL-UHFFFAOYSA-N
+rxn:5:196970:225832:222981,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCCC2)ccnc1-c1ccnc(NC2CCCCC2)c1,MBVKZAPILVPBHF-UHFFFAOYSA-N
+rxn:5:196970:226686:225653,Cc1cnn(C2CCCCO2)c1-c1c(C2CCCCC2)ccnc1-c1ccc(N2CCCCC2C)nc1,WCOJBWIQRISZPJ-UHFFFAOYSA-N
+rxn:5:196971:225514:225832,Cc1nn(C2CCCCO2)c(C)c1-c1cc(-c2cccc3c2OCC2(CC2)CO3)ncc1C1CCCCC1,AOZIMKIPFYLTRJ-UHFFFAOYSA-N
+rxn:5:197876:223113:227908,CC(C)Cc1ncccc1-c1cc2c(cc1-c1ccc3c(c1)C(C)(C)C(=O)N3)S(=O)(=O)N(C(C)(C)C)C2=O,ZLRJAPFOVCOUEQ-UHFFFAOYSA-N
+rxn:5:197876:227415:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1ccc(C(C)(C)C)nc1F)S(=O)(=O)N(C(C)(C)C)C2=O,PPJACEQMQWDEGK-UHFFFAOYSA-N
+rxn:5:198558:225632:225805,CC(c1ccc(C2=NS(=O)(=O)c3cc(-c4cccc(N5CCN(C)CC5)c4)ccc32)s1)N1CCOCC1,ZMAOZXWFZTXTIC-UHFFFAOYSA-N
+rxn:5:199278:225926:225934,CN1C(=O)CCc2cc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc(-c3cnc(C(F)(F)F)c(C4CC4)c3)c21,BGGYMXQVIXWZCS-UHFFFAOYSA-N
+rxn:5:199280:225815:225926,CN1C(=O)CCc2c1ccc(-c1ccc(C3CC3)cc1C(F)(F)F)c2-c1ccc(S(=O)(=O)N2CCC2)cc1,DHZCPENPLYKAJO-UHFFFAOYSA-N
+rxn:5:199280:225816:225926,CN1C(=O)CCc2c1ccc(-c1cc(C3CC3)ccc1C(F)(F)F)c2-c1ccc(S(=O)(=O)N2CCC2)cc1,AHAGBCAZZYMRLO-UHFFFAOYSA-N
+rxn:5:199280:225820:225926,CN1C(=O)CCc2c1ccc(-c1c(C3CC3)cccc1C(F)(F)F)c2-c1ccc(S(=O)(=O)N2CCC2)cc1,SYTDZJJDTSOUCE-UHFFFAOYSA-N
+rxn:5:199280:225926:225817,CN1C(=O)CCc2c1ccc(-c1ccc(S(=O)(=O)N3CCC3)cc1)c2-c1ccc(C(F)(F)F)c(C2CC2)c1,CSYZLZSHSBJNIF-UHFFFAOYSA-N
+rxn:5:225616:177190:225633,CCS(=O)(=O)Cc1ccc(-c2ccc(N3CCCCCC3)nc2)c(-c2ccccc2C(=O)N2CCCC2)c1,RJEQWCBLECMMDI-UHFFFAOYSA-N
+rxn:5:225666:193889:225633,Cc1cc(C)c(S(=O)(=O)c2cccc(-c3cc(F)cc(N4CCCCC4)c3)c2C)c(-c2ccc(N3CCCCCC3)nc2)n1,KIFDPGJTDBOVAR-UHFFFAOYSA-N
+rxn:5:225672:196970:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCCCC2)c1-c1cc(F)nc(C2CCCCC2)c1,ZRFBCDUKYLRBDM-UHFFFAOYSA-N
+rxn:5:225677:190194:227574,COc1c(F)ccc(-c2c(CN3CCC(OC)CC3)cccc2-c2ccc(C3CCCCC3)nc2F)c1OC,PQTRHDHUSIAHKV-UHFFFAOYSA-N
+rxn:5:225679:193506:229013,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(N4CCCCC4)cc3F)cc2-c2sccc2C2CC2)CC1,KPJZTHICLGIASS-UHFFFAOYSA-N
+rxn:5:225679:196922:225986,O=C1CCCCN1c1cc(-c2ccc(N3CCCCC3)cc2F)cc(-c2ccccc2N2CCCS2(=O)=O)c1,QODSNZWFYCDTCG-UHFFFAOYSA-N
+rxn:5:225679:196923:223173,O=C1CCCCN1c1ccc(-c2ccc(N3CCCCC3)cc2F)c(-c2ccc3c(c2)C(O)CS3(=O)=O)c1,OCMIHJDUDGWYOQ-UHFFFAOYSA-N
+rxn:5:225809:180022:227386,COc1c(-c2cnn(C3CCCCC3)c2)ccc(-c2cc(F)ccc2OC2CCOC2)c1C1OCCO1,FCPCAZNCYLMPCM-UHFFFAOYSA-N
+rxn:5:225816:199280:225926,CN1C(=O)CCc2c1ccc(-c1cc(C3CC3)ccc1C(F)(F)F)c2-c1ccc(S(=O)(=O)N2CCC2)cc1,AHAGBCAZZYMRLO-UHFFFAOYSA-N
+rxn:5:225821:193506:223388,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C4CC4)c(C(F)(F)F)c3)cc2-c2ccc(S(=O)(=O)O)cc2)CC1,PTLUYFVQMASIPR-UHFFFAOYSA-N
+rxn:5:225822:189718:223388,O=[N+]([O-])c1cc(-c2ccc(S(=O)(=O)O)cc2)c(-c2cccc(C(F)(F)F)c2C2CC2)cc1OC1CCOCC1,OOJXASJTNREGIK-UHFFFAOYSA-N
+rxn:5:225824:193506:223388,O=C1CCN(S(=O)(=O)c2ccc(-c3cc(C4CC4)cc(C(F)(F)F)c3)cc2-c2ccc(S(=O)(=O)O)cc2)CC1,HSQNLDVBXCBDAA-UHFFFAOYSA-N
+rxn:5:225832:181904:226187,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2OCCO2)c(C)c1-c1cccc(C2CCOCC2)c1,ZWKOKNJLHVZBKD-UHFFFAOYSA-N
+rxn:5:225832:193151:227611,Cc1nn(C2CCCCO2)c(C)c1-c1c(CN2CCCC2)cccc1-c1ccnn1C1CCCCO1,BHUQBOSYTOEWNM-UHFFFAOYSA-N
+rxn:5:225832:196667:222981,Cc1nn(C2CCCCO2)c(C)c1-c1c(C2CCCC2)ccnc1-c1ccnc(NC2CCCCC2)c1,OBAISALICCMZBS-UHFFFAOYSA-N
+rxn:5:225832:196858:223141,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCOCC2)cc1-c1cncc(C2CCNCC2)c1,OFKRWNHPBWBOKJ-UHFFFAOYSA-N
+rxn:5:225832:196969:226177,Cc1nn(C2CCCCO2)c(C)c1-c1cnc(C2CCCCC2)cc1-c1ccnc(C2CCCCC2)c1,MGFHUYQBTNSFND-UHFFFAOYSA-N
+rxn:5:225833:189829:228490,COc1c(-c2cccc(S(=O)(=O)F)c2)cc(C(=O)N2CCCC2)cc1-c1ccnc(N2CCCCC2)c1F,DGCBDBRXUCRUCQ-UHFFFAOYSA-N
+rxn:5:225884:196858:226686,Cc1cnn(C2CCCCO2)c1-c1cc(C2CCOCC2)ncc1-c1ccc(C2COCCO2)c(F)c1,CWHLZSBYCJHOHT-UHFFFAOYSA-N
+rxn:5:225926:199280:225934,CN1C(=O)CCc2c1ccc(-c1ccc(S(=O)(=O)N3CCC3)cc1)c2-c1cnc(C(F)(F)F)c(C2CC2)c1,YHEHQRQZDCKEII-UHFFFAOYSA-N
+rxn:5:225931:196618:225833,Cc1cc(-c2ccc(-c3ccnc(N4CCCCC4)c3F)c(N3CCCC3=O)c2)cc(S(=O)(=O)N(C)C)c1,QYORLGGHMJTIDI-UHFFFAOYSA-N
+rxn:5:225934:199280:225926,CN1C(=O)CCc2c1ccc(-c1cnc(C(F)(F)F)c(C3CC3)c1)c2-c1ccc(S(=O)(=O)N2CCC2)cc1,IXABOTQDJBLYNS-UHFFFAOYSA-N
+rxn:5:225986:192563:223065,O=C(c1cc(-c2ccc(N3CCNCC3)cc2F)cc(-c2ccccc2N2CCCS2(=O)=O)c1)N1CCC1,LLMFOEBMSBPANV-UHFFFAOYSA-N
+rxn:5:225986:196621:223065,O=C1CCCN1c1ccc(-c2ccc(N3CCNCC3)cc2F)c(-c2ccccc2N2CCCS2(=O)=O)c1,BWAOFYULBSGGOQ-UHFFFAOYSA-N
+rxn:5:225986:196623:225679,O=C1CCCN1c1cc(-c2ccc(N3CCCCC3)cc2F)cc(-c2ccccc2N2CCCS2(=O)=O)c1,VJJJLEOUHGABRF-UHFFFAOYSA-N
+rxn:5:226059:178295:225419,CCOc1cc2ccccc2cc1-c1ccc(-c2ccc(C(C)C)cc2C(C)C)c(C2(C(=O)OC)CCC(=O)CC2)c1,IRGVBRXABIINML-UHFFFAOYSA-N
+rxn:5:226068:178295:227815,CCC(C)c1ccccc1-c1ccc(-c2c(C)cc(C(C)(C)C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,ZSFLPDBBIFIPAM-UHFFFAOYSA-N
+rxn:5:226078:178295:223018,COC(=O)C1(c2cc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)ccc2-c2cc3ccccc3cc2OC)CCC(=O)CC1,VEUZAGPNRRZULO-UHFFFAOYSA-N
+rxn:5:226085:178295:228779,COC(=O)C1(c2cc(-c3cc(F)ccc3OC)ccc2-c2ccc3c(c2)CCC(C)(C)O3)CCC(=O)CC1,MFJZZIUCOJTNDD-UHFFFAOYSA-N
+rxn:5:226154:178295:228617,COC(=O)C1(c2cc(-c3c(C)cccc3OC)ccc2-c2ccc(C(C)(C)C)cc2OC)CCC(=O)CC1,FRSVOMIAHCWWMB-UHFFFAOYSA-N
+rxn:5:226179:196859:225832,Cc1nn(C2CCCCO2)c(C)c1-c1nccc(C2CCOCC2)c1-c1cncc(C2CCCCC2)c1,ORGUNPHMXADWJQ-UHFFFAOYSA-N
+rxn:5:226182:180022:225834,COc1c(-c2cc(N3CCCCC3)ncc2F)ccc(-c2cccnc2C2CCCCC2)c1C1OCCO1,OLQCJPQNDLUQEH-UHFFFAOYSA-N
+rxn:5:226322:178295:228507,CCCc1cccc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,ODBCSZRSEQTVQR-UHFFFAOYSA-N
+rxn:5:226366:193870:228180,COCc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(C)cc2S(=O)(=O)N2CCCCC2)ccc1F,JJDLHKWTWWPUKH-UHFFFAOYSA-N
+rxn:5:226414:196198:225986,O=C1C=CC(=O)N1c1ccc(-c2ccc(C3=NCCCO3)cc2)c(-c2ccccc2N2CCCS2(=O)=O)c1,YHNXCVOGARWJBU-UHFFFAOYSA-N
+rxn:5:226425:181908:222956,Cc1ccc(-c2cc(C3OCCO3)c(C)cc2-c2ccc(N3CCCCC3C)s2)c(C2CCCNC2)c1,TXXDHJKHLSJENE-UHFFFAOYSA-N
+rxn:5:226431:193228:223173,O=C(c1cc(-c2ccc(N3CCCC3)c(F)c2)cc(-c2ccc3c(c2)C(O)CS3(=O)=O)c1)N1CCSCC1,VWRFCZVTTSPBOU-UHFFFAOYSA-N
+rxn:5:226582:178295:228520,COC(=O)C1(c2cc(-c3cc(C)c(C)cc3C)ccc2-c2ccc(C(=O)N(C)C)cc2F)CCC(=O)CC1,QIBGNMWUPNGOOI-UHFFFAOYSA-N
+rxn:5:226603:178295:228555,COCc1ccccc1-c1ccc(-c2cc(C(=O)OC)cc(F)c2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,ZJRPZLUFWDXIGC-UHFFFAOYSA-N
+rxn:5:226679:193755:227710,CC1CCCN(C(=O)c2cccc(-c3cnc(N4CCCC4)cc3F)c2-c2ccc(OS(C)(=O)=O)cc2)C1,KVZNGEPVGBZRDC-UHFFFAOYSA-N
+rxn:5:226686:196872:223061,Cc1cnn(C2CCCCO2)c1-c1cc(-c2cc(C3CCNCC3)ncc2F)ccc1N1CCOCC1,UHKNMOAEEIGGKG-UHFFFAOYSA-N
+rxn:5:226847:189319:222991,CSc1ncc(C(F)(F)F)cc1-c1ccc(-c2ccc(N3CCCC(O)C3)cc2)nc1C(=O)OC(C)(C)C,QQLKEDCNFUBFES-UHFFFAOYSA-N
+rxn:5:226911:178295:227816,CCCc1ccc(-c2ccc(-c3c(CC)cc(C)cc3CC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(C)c1,JQHZWXAXDSEGQE-UHFFFAOYSA-N
+rxn:5:226914:178295:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccc(CC(C)C)cc2C)c(C2(C(=O)OC)CCC(=O)CC2)c1,JHYKBJOPUXMRCV-UHFFFAOYSA-N
+rxn:5:226917:178295:227909,CCC(C)c1cc(-c2ccc(-c3cc(C)cc(C(C)(C)C)c3)c(C3(C(=O)OC)CCC(=O)CC3)c2)ccn1,SSRIDFJPJKAZLU-UHFFFAOYSA-N
+rxn:5:226920:178295:225506,COC(=O)C1(c2cc(-c3ccc4c(cnn4CC(C)C)c3)ccc2-c2cc(C(C)(C)C)ccc2C)CCC(=O)CC1,RKJZQTYBKARJMP-UHFFFAOYSA-N
+rxn:5:226920:190484:227319,Cc1ccc(C(C)(C)C)cc1-c1cccc(C(=O)N2CCC(c3ccccc3-c3cc(CC(C)C)ncc3F)S(=O)(=O)CC2)c1,XIAWFQOESKRCMS-UHFFFAOYSA-N
+rxn:5:226926:178295:227904,CCN(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1,HNKCOVCHTHFIRP-UHFFFAOYSA-N
+rxn:5:226968:178295:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2ccc3c(c2)OC(C)(C)C3)CCC(=O)CC1,PAJVJUYHIJWFDW-UHFFFAOYSA-N
+rxn:5:226974:178295:228416,COC(=O)C1(c2cc(-c3c(F)cc(F)cc3OC)ccc2-c2ccc3c(c2)COC3(C)C)CCC(=O)CC1,FISKKWTXAGEQIA-UHFFFAOYSA-N
+rxn:5:227038:178295:228222,COC(=O)C1(c2cc(-c3cc(F)nc(C(C)C)c3)ccc2-c2cc(C(C)C)ccc2OC)CCC(=O)CC1,ISLPKBRWMLTOPT-UHFFFAOYSA-N
+rxn:5:227052:178295:227078,COC(=O)C1(c2cc(-c3cc(OC)ccc3C3CC3)ccc2-c2ccc(SC(C)(C)C)cc2)CCC(=O)CC1,ITBUUOYOAGZQCR-UHFFFAOYSA-N
+rxn:5:227064:178295:227907,CCC(C)c1cncc(-c2ccc(-c3ccccc3OC(C)(C)C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JGBBXYJPWRNMSL-UHFFFAOYSA-N
+rxn:5:227065:178295:227415,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)nc3F)ccc2-c2cccc(C(=O)C(C)C)c2)CCC(=O)CC1,BOLYHCHYKAGRBS-UHFFFAOYSA-N
+rxn:5:227067:178295:227922,CCc1cc(OC)ccc1-c1ccc(-c2ccc(OC)cc2C2CC2)c(C2(C(=O)OC)CCC(=O)CC2)c1,OLPGNQGVVMGXCA-UHFFFAOYSA-N
+rxn:5:227071:178295:227052,COCc1cc(C)c(-c2ccc(-c3ccc(SC(C)(C)C)cc3)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,JJJXSPBXFZJDJQ-UHFFFAOYSA-N
+rxn:5:227073:180662:225677,COC(=O)C1=Cc2cc(-c3ccc(C4CCCCC4)nc3F)cc(-c3cc(OC)cc(C4CC4)c3)c2OC1,NRFZVEXZHUEZTH-UHFFFAOYSA-N
+rxn:5:227076:178295:227361,CCC(C)c1ccc(F)c(-c2ccc(-c3cc(OC)c(C)cc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)c1,WJXLHCOOEZVKLC-UHFFFAOYSA-N
+rxn:5:227286:178295:228156,COC(=O)C1(c2cc(-c3cc(OC)ccc3OC)ccc2-c2ccc(C(=O)N(C)C)cc2)CCC(=O)CC1,AKWOYNBWMSKBTB-UHFFFAOYSA-N
+rxn:5:227311:178295:228435,CCC(C)c1cc(F)c(-c2ccc(-c3c(SC)ccc(F)c3F)cc2C2(C(=O)OC)CCC(=O)CC2)cn1,JYGLHLJIPKXJDN-UHFFFAOYSA-N
+rxn:5:227361:178295:227823,COC(=O)C1(c2cc(-c3ccccc3C(C)(C)C)ccc2-c2cc(OC)c(C)cc2OC)CCC(=O)CC1,VJQLUPSLQMTQOA-UHFFFAOYSA-N
+rxn:5:227390:182010:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(C2CCOCC2)c(-c2ccnn2C2CCCCC2)c1,DPMKJLFJWWKWLS-UHFFFAOYSA-N
+rxn:5:227403:178353:225833,Cc1cc(S(=O)(=O)Oc2ccc(-c3ccnc(N4CCCCC4)c3F)c(C)c2)c(C)cc1-c1ccc(N2CCCCC2)s1,LULXXGKFJSPPNF-UHFFFAOYSA-N
+rxn:5:227403:194575:225871,O=C1C=CC(=O)N1c1cccc(-c2cc3c(s2)CCN(S(=O)(=O)c2ccccc2-c2ccc(N4CCCCC4)s2)C3)c1,HAQDNIXYZFKKFZ-UHFFFAOYSA-N
+rxn:5:227403:196918:225930,Cc1ccc(S(=O)(=O)N(C)C)c(-c2c(-c3ccc(N4CCCCC4)s3)cccc2N2CCCCC2=O)c1,OMNQXUYALAHFOL-UHFFFAOYSA-N
+rxn:5:227412:197876:226926,Cc1cc(C(C)(C)C)ccc1-c1cc2c(cc1-c1cnc(C(C)(C)C)cc1F)S(=O)(=O)N(C(C)(C)C)C2=O,NHUAMEGWVJSHOP-UHFFFAOYSA-N
+rxn:5:227458:193506:227780,CN1CCOc2cc(-c3ccc(S(=O)(=O)N4CCC(=O)CC4)c(-c4c(F)ccc([N+](=O)[O-])c4F)c3)cnc21,ZZJOAHNGFZYBGJ-UHFFFAOYSA-N
+rxn:5:227512:178295:227831,CCc1c(C)cc(-c2ccc(-c3cc(C(=O)OC)ncc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1C,LQYZMMSQXJYXCZ-UHFFFAOYSA-N
+rxn:5:227521:178295:227818,CCC(C)c1cccc(-c2ccc(-c3cc(C(=O)OC)cnc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c1,JIPWXCDPYWDQFE-UHFFFAOYSA-N
+rxn:5:227525:178295:226062,CCc1cnc(C(F)F)cc1-c1ccc(-c2cc(C(C)C)cc(C(C)C)c2)cc1C1(C(=O)OC)CCC(=O)CC1,QRWWBWKFTNZRQA-UHFFFAOYSA-N
+rxn:5:227542:178295:227942,CCc1ccc(-c2ccc(-c3ccc(F)cc3C(=O)OC)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(OC)c1,DSMUGGICNVIJNI-UHFFFAOYSA-N
+rxn:5:227560:178295:228567,CCC(C)c1sccc1-c1ccc(-c2ccc(OC)c(C(F)F)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,YLLFTZCIMVAJDK-UHFFFAOYSA-N
+rxn:5:227569:180662:225498,COC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3c(OC)ccc(F)c3OC)c2OC1,PMQNJCHIFFSVNF-UHFFFAOYSA-N
+rxn:5:227588:178295:227807,COC(=O)C1(c2cc(-c3cccc4c3CCCC4)ccc2-c2c(OC)cc(F)cc2OC)CCC(=O)CC1,UGQYXZDMPDVJTA-UHFFFAOYSA-N
+rxn:5:227592:180662:225498,COC(=O)C1=Cc2cc(-c3cc(C4CCCCC4)ccc3F)cc(-c3cc(F)cc(OC)c3OC)c2OC1,JGAKXLOPYLQXCG-UHFFFAOYSA-N
+rxn:5:227592:190194:226437,COc1cc(F)cc(-c2cccc(CN3CCC(OC)CC3)c2-c2cc(C3CCCC3)ncc2F)c1OC,VBRPDEJFCWZYBZ-UHFFFAOYSA-N
+rxn:5:227592:193462:225592,COc1cc(F)cc(-c2ccc(-c3cc(F)ccc3CN3CCCC3)c(CN3CCC(=O)CC3)c2)c1OC,GMNAHIWDRQDVEV-UHFFFAOYSA-N
+rxn:5:227612:180098:225832,Cc1nn(C2CCCCO2)c(C)c1-c1ccc(-c2cnn(C3CCCCO3)c2)c(OC2CCCC2)c1,PTCRYNTXHWDILM-UHFFFAOYSA-N
+rxn:5:227706:178295:227048,COC(=O)C1(c2cc(-c3ccc(C(=O)C(C)C)cc3)ccc2-c2cc(OC)cnc2C(F)F)CCC(=O)CC1,CZSARAKMVAQVGE-UHFFFAOYSA-N
+rxn:5:227812:178295:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2cccc(CC(C)C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,SJHBWCCFCKJGPS-UHFFFAOYSA-N
+rxn:5:227815:178295:227525,CCc1cnc(C(F)F)cc1-c1ccc(-c2ccccc2C(C)CC)c(C2(C(=O)OC)CCC(=O)CC2)c1,CQJOLMVNKOMGQM-UHFFFAOYSA-N
+rxn:5:227816:178295:227301,CCCc1ccc(-c2ccc(-c3ccc(F)cc3CN(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c(C)c1,LGUTWMURBVLZDK-UHFFFAOYSA-N
+rxn:5:227819:178295:227290,CCc1cc(CC)cc(-c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c1,HPVFLFLGNJZUDQ-UHFFFAOYSA-N
+rxn:5:227834:178295:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(C3CC3)c(C)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,JXEQLILFFBLDCO-UHFFFAOYSA-N
+rxn:5:227837:178295:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2cc(C)cc(C3CC3)c2)c(C2(C(=O)OC)CCC(=O)CC2)c1,OCOCTXLPBGANLE-UHFFFAOYSA-N
+rxn:5:227840:197876:226366,Cc1cccc(-c2cc3c(cc2-c2ccnc(N4CCCCC4)c2)C(=O)N(C(C)(C)C)S3(=O)=O)c1C1CC1,FYGXIWXPDAVNBG-UHFFFAOYSA-N
+rxn:5:227907:178295:226589,CCC(C)c1cncc(-c2ccc(-c3cc(C(F)F)ncc3C(C)C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,QWCIMBGIUNRFBZ-UHFFFAOYSA-N
+rxn:5:227913:178295:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2ccc(OC(C)C)cc2)CCC(=O)CC1,YOIBRTYXTDKJBO-UHFFFAOYSA-N
+rxn:5:227933:178295:227040,CCc1ccc(OC)cc1-c1ccc(-c2cc(C)ccc2OC(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,PPAILWQLXFIBPF-UHFFFAOYSA-N
+rxn:5:227935:178295:227287,CCc1cc(-c2ccc(-c3ccc(C(C)C)nc3OC)cc2C2(C(=O)OC)CCC(=O)CC2)ccc1OC,CFTJGJJEYNYASM-UHFFFAOYSA-N
+rxn:5:227942:178295:223269,CCc1ccc(-c2ccc(-c3ccc(NC(C)=O)c(F)c3)cc2C2(C(=O)OC)CCC(=O)CC2)c(OC)c1,YXTJMCDDBKEUPI-UHFFFAOYSA-N
+rxn:5:227943:178295:227079,COC(=O)C1(c2cc(-c3cc(CC(C)C)ccc3F)ccc2-c2cc(C)ccc2N(C)C)CCC(=O)CC1,FFJJVLAJPRMXCS-UHFFFAOYSA-N
+rxn:5:227970:178295:227102,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3F)ccc2-c2ccncc2C(C)(C)C)CCC(=O)CC1,HGSPJOSKLKWFBU-UHFFFAOYSA-N
+rxn:5:227974:178295:226974,COC(=O)C1(c2cc(-c3ccc4c(c3)COC4(C)C)ccc2-c2c(C)cc(OC)cc2C)CCC(=O)CC1,OWDPDVHUFAEIHI-UHFFFAOYSA-N
+rxn:5:227979:178295:226917,COC(=O)C1(c2cc(-c3cc(C)cc(C(C)(C)C)c3)ccc2-c2c(C)cc(C)cc2OC)CCC(=O)CC1,ZQHPEFHUMZOHMT-UHFFFAOYSA-N
+rxn:5:228078:178295:226140,COC(=O)C1(c2cc(-c3cc(C(C)(C)C)ccc3OC)ccc2-c2ccc3c(c2)COC3=O)CCC(=O)CC1,YZBLDBAROVYAOW-UHFFFAOYSA-N
+rxn:5:228078:178295:226341,COC(=O)C1(c2cc(-c3cc(C(C)C)c(F)cc3OC)ccc2-c2ccc3c(c2)COC3=O)CCC(=O)CC1,GCVKHOSCVZUBDB-UHFFFAOYSA-N
+rxn:5:228107:178295:225507,CCC(C)c1ncncc1-c1ccc(-c2ccc3c(c2)CCC3C(=O)OC)cc1C1(C(=O)OC)CCC(=O)CC1,CRXANTNTRBJVLQ-UHFFFAOYSA-N
+rxn:5:228157:178295:226911,CCc1cc(C)cc(CC)c1-c1ccc(-c2ccc(OC)cc2OC)c(C2(C(=O)OC)CCC(=O)CC2)c1,KIGMRVWBDOIOAE-UHFFFAOYSA-N
+rxn:5:228180:193869:226366,COCc1cc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)ccc1F,SBKIDWPFEWDJFH-UHFFFAOYSA-N
+rxn:5:228180:193870:226366,COCc1cc(-c2cc(-c3ccnc(N4CCCCC4)c3)c(S(=O)(=O)N3CCCCC3)cc2C)ccc1F,FBKNVLQQGHJJHJ-UHFFFAOYSA-N
+rxn:5:228180:193972:227387,COCc1cc(-c2cc(C)c(-c3ccnc(N4CCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)ccc1F,UIUASZSVCYFJRV-UHFFFAOYSA-N
+rxn:5:228181:178295:227350,COCc1cc(F)ccc1-c1ccc(-c2c(OC)cc(C)cc2OC)cc1C1(C(=O)OC)CCC(=O)CC1,CMFKTXPPBJNCRI-UHFFFAOYSA-N
+rxn:5:228248:193869:226366,CC(=O)c1ccc(-c2cc(C)c(-c3ccnc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCC2)c(F)c1,ILWHWQVCNBARIM-UHFFFAOYSA-N
+rxn:5:228258:178295:227540,COC(=O)C1(c2cc(-c3cc(SC)cc(F)c3OC)ccc2-c2c(C)ccc(F)c2OC)CCC(=O)CC1,WYPNZZMCVAQSFG-UHFFFAOYSA-N
+rxn:5:228317:178295:227312,CCC(C)c1ccc(-c2ccc(-c3ccc(C(=O)OC)nc3)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)n1,RLKAIPCGNQABTF-UHFFFAOYSA-N
+rxn:5:228388:178295:227313,CCC(C)c1cc(-c2ccc(-c3cc(C(F)F)ncc3C)c(C3(C(=O)OC)CCC(=O)CC3)c2)c(F)cn1,KXCKSEDSTWPHDY-UHFFFAOYSA-N
+rxn:5:228396:178295:227541,CCOc1cc(F)c(-c2ccc(-c3c(F)cc(OC)cc3F)c(C3(C(=O)OC)CCC(=O)CC3)c2)cc1F,ILLZVGMRLKXHGB-UHFFFAOYSA-N
+rxn:5:228516:178295:226322,CCc1cc(C)cc(-c2ccc(-c3ccc(C(=O)N(C)C)cc3C)cc2C2(C(=O)OC)CCC(=O)CC2)c1,AGIHDIXUZHVKQM-UHFFFAOYSA-N
+rxn:5:228567:178295:226907,CCC(C)c1sccc1-c1ccc(-c2cccc3c2CCC32CC2)cc1C1(C(=O)OC)CCC(=O)CC1,GBEOOTBIUWJAKZ-UHFFFAOYSA-N
+rxn:5:228567:178295:226923,CCC(C)c1sccc1-c1ccc(-c2cc(C)c(C3CC3)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,OQQSGEVCZYXIFS-UHFFFAOYSA-N
+rxn:5:228567:178295:227084,CCC(C)c1sccc1-c1ccc(-c2ccc(C(C)(C)C)nc2C)cc1C1(C(=O)OC)CCC(=O)CC1,SMYLMHXYSPYTOY-UHFFFAOYSA-N
+rxn:5:228617:178295:226058,COC(=O)C1(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2-c2c(C)cccc2OC)CCC(=O)CC1,KJBAGSKYCYXMKT-UHFFFAOYSA-N
+rxn:5:228622:178295:226322,CCc1cc(F)ccc1-c1ccc(-c2ccc(C(=O)N(C)C)cc2C)cc1C1(C(=O)OC)CCC(=O)CC1,BFFQMTJQZZPJRT-UHFFFAOYSA-N
+rxn:5:228649:193972:226395,Cc1cc(C)c(-c2cc(C)c(-c3cncc(N4CCCCC4)c3)cc2S(=O)(=O)N2CCCCCC2)c(F)c1,ZCJBDUVZVWCROZ-UHFFFAOYSA-N
+rxn:5:228970:193506:226181,O=C1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)s3)cc2-c2ccc(C3=CCCCC3)nc2)CC1,RBUCBFRSQCAIOH-UHFFFAOYSA-N
+rxn:5:228991:178295:226589,CCCc1sccc1-c1ccc(-c2cc(C(F)F)ncc2C(C)C)cc1C1(C(=O)OC)CCC(=O)CC1,BXDUBXWHNREGRF-UHFFFAOYSA-N
+rxn:5:229012:178295:226154,COC(=O)C1(c2cc(-c3ccc(C(C)(C)C)cc3OC)ccc2-c2sccc2C(C)C)CCC(=O)CC1,WYIBHUBDCHBILN-UHFFFAOYSA-N
+rxn:5:229041:193972:225633,Cc1cc(-c2c(C)cccc2F)c(S(=O)(=O)N2CCCCCC2)cc1-c1ccc(N2CCCCCC2)nc1,VDCJLCSAZHEXDT-UHFFFAOYSA-N