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1
urdof7 commited on
Commit
24d22cc
·
verified ·
1 Parent(s): 06f9dca

Added 301 molecules from epoch 17426 for O15379

Browse files
Files changed (1) hide show
  1. O15379_molecules.csv +301 -0
O15379_molecules.csv CHANGED
@@ -27033,3 +27033,304 @@ rxn:3:8620:59937:127108,CCS(=O)(=O)CC(C)(C)CNC(=O)C12CCC(n3cc(C4(N(C)C)CCC(F)(F)
27033
  rxn:3:8620:59937:73149,CN(C)C1(c2cn(C3CCC4(C(=O)NC[Si](C)(C)C)CC34)nn2)CCC(F)(F)CC1,QKFBOIURFQCBJD-UHFFFAOYSA-N
27034
  rxn:3:8620:59937:73289,CCCCC(NC(=O)C12CCC(n3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C1C2)c1ccc2ccccc2c1,ZGHUFNSIVIXDBL-UHFFFAOYSA-N
27035
  rxn:3:981:62646:70417,CC(c1cn(CC2CC(=O)N(C(C(=O)NCC(F)(F)C34CC(C3)C4)C(C)(C)C)C2)nn1)N(C)C,MQTSDDQYBAYRJY-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
27033
  rxn:3:8620:59937:73149,CN(C)C1(c2cn(C3CCC4(C(=O)NC[Si](C)(C)C)CC34)nn2)CCC(F)(F)CC1,QKFBOIURFQCBJD-UHFFFAOYSA-N
27034
  rxn:3:8620:59937:73289,CCCCC(NC(=O)C12CCC(n3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C1C2)c1ccc2ccccc2c1,ZGHUFNSIVIXDBL-UHFFFAOYSA-N
27035
  rxn:3:981:62646:70417,CC(c1cn(CC2CC(=O)N(C(C(=O)NCC(F)(F)C34CC(C3)C4)C(C)(C)C)C2)nn1)N(C)C,MQTSDDQYBAYRJY-UHFFFAOYSA-N
27036
+ rxn:1:12029:43967,O=c1ccn([C@H]2C[C@@H](n3cc(CCCCS(=O)(=O)Cl)nn3)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1,RISDWHLQEYLLJN-YRGRVCCFSA-N
27037
+ rxn:1:12208:59769,CO[C@@H]1CN(C2CCC2)C[C@@H]1c1cn(C2CCCN(S(=O)(=O)Cc3ccccc3F)C2)nn1,CZBRHJIIJGRKPN-CXAYOUKQSA-N
27038
+ rxn:1:12218:61995,CS(=O)(=O)N1C[C@@H](F)[C@H](c2cn(C3C4CC5CC(C4)CC3C5)nn2)C1,UUHIZHZVFOEWDR-WGNURCRPSA-N
27039
+ rxn:1:12218:62167,CS(=O)(=O)N1C[C@@H](F)[C@H](c2cn(C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)nn2)C1,UUHIZHZVFOEWDR-QJGVRTPASA-N
27040
+ rxn:1:13247:49937,CC1(COC(=O)c2ccc(-c3cn(CC4C(c5cn[nH]c5C(=O)O)C4(F)F)nn3)cc2)COCOC1,DCVPYIGCCLRARF-UHFFFAOYSA-N
27041
+ rxn:1:13588:49710,CC1CC(OC(=O)c2cccc(-c3cn(CC4C(c5c[nH]nc5C#N)C4(F)F)nn3)c2)CC(C)(C)C1,HERQPGSMOVBKKQ-UHFFFAOYSA-N
27042
+ rxn:1:139:62052,N=c1c2nc(-n3cc(CC(=O)c4cccnc4Cl)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,JJJVHBZIWVHEKP-UHFFFAOYSA-N
27043
+ rxn:1:1487:44734,O=S(=O)(F)c1ccccc1C#CCCn1cc(C2CCCN(S(=O)(=O)C3CC3)C2)nn1,VCXVWENPGHBULH-UHFFFAOYSA-N
27044
+ rxn:1:1488:44734,O=S(=O)(F)c1ccccc1C#CCCn1cc(C2CCN(S(=O)(=O)C3CC3)CC2)nn1,FAHFIEAHLAUONP-UHFFFAOYSA-N
27045
+ rxn:1:1488:52436,N#Cc1cc(F)ccc1C1CC1CCn1cc(C2CCN(S(=O)(=O)C3CC3)CC2)nn1,PUUMPKGMDZLDIB-UHFFFAOYSA-N
27046
+ rxn:1:14889:59219,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(OS(=O)(=O)[O-])c1cn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)nn1,XRVQBXLVHCMXHF-VPNBNBKUSA-M
27047
+ rxn:1:15669:59755,N#Cc1ccc(S(=O)(=O)N2CCCC(n3cc(-c4cn(C5CC5)nc4C4CCCCC4)nn3)C2)cc1,GLCIRCATSYZGBM-UHFFFAOYSA-N
27048
+ rxn:1:1728:59833,O=S(=O)(NC12CC3CC(CC(C3)C1)C2)n1cc(C2CC(F)(F)C2)nn1,XHYYNNDGTIDZCH-UHFFFAOYSA-N
27049
+ rxn:1:18101:48083,O=[N+]([O-])c1c[nH]c2ncc(C(O)C(O)Cn3cc(-c4c5c(nn4C4CCCSC4)CCN(CC(F)(F)F)C5)nn3)cc12,DWOSJZWIKPFUSN-UHFFFAOYSA-N
27050
+ rxn:1:18101:48259,O=[N+]([O-])c1ccc2c(C(O)C(O)Cn3cc(-c4c5c(nn4C4CCCSC4)CCN(CC(F)(F)F)C5)nn3)n[nH]c2c1,MJYIPLRSWQFFBW-UHFFFAOYSA-N
27051
+ rxn:1:1859:62052,C=C(OC)c1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,JUEIKLAEVRPCKZ-UHFFFAOYSA-N
27052
+ rxn:1:22764:59833,O=S(=O)(NC12CC3CC(CC(C3)C1)C2)n1cc(-c2cncc(-n3nc(C4CCC4)c(Cl)c3O)c2)nn1,NEGSPPWWTQWAMX-UHFFFAOYSA-N
27053
+ rxn:1:22852:48165,CCCc1nn(-c2cncc(-c3cn([C@H]4CN[C@H](C(=O)N5CCc6cc(OC)c(OC)cc6C5)C4)nn3)c2)c(Cl)c1Br,CPLRBYASQRBZEY-OFNKIYASSA-N
27054
+ rxn:1:22853:48165,CCCc1nn(-c2cncc(-c3cn([C@H]4CN[C@H](C(=O)N5CCc6cc(OC)c(OC)cc6C5)C4)nn3)c2)c(Cl)c1Cl,NCVNEXVHTNJCBI-OFNKIYASSA-N
27055
+ rxn:1:22853:48176,CCCc1nn(-c2cncc(-c3cn([C@@H]4CN[C@H](C(=O)N5CCc6cc(OC)c(OC)cc6C5)C4)nn3)c2)c(Cl)c1Cl,NCVNEXVHTNJCBI-REWPJTCUSA-N
27056
+ rxn:1:22854:48165,CCCc1nn(-c2cncc(-c3cn([C@H]4CN[C@H](C(=O)N5CCc6cc(OC)c(OC)cc6C5)C4)nn3)c2)c(Cl)c1I,NZFLEOSHZPFRJO-OFNKIYASSA-N
27057
+ rxn:1:22856:48165,CCCc1nn(-c2cncc(-c3cn([C@H]4CN[C@H](C(=O)N5CCc6cc(OC)c(OC)cc6C5)C4)nn3)c2)c(Br)c1Br,ALJOUWKTXFYIPE-OFNKIYASSA-N
27058
+ rxn:1:22856:48176,CCCc1nn(-c2cncc(-c3cn([C@@H]4CN[C@H](C(=O)N5CCc6cc(OC)c(OC)cc6C5)C4)nn3)c2)c(Br)c1Br,ALJOUWKTXFYIPE-REWPJTCUSA-N
27059
+ rxn:1:22857:48165,CCCc1nn(-c2cncc(-c3cn([C@H]4CN[C@H](C(=O)N5CCc6cc(OC)c(OC)cc6C5)C4)nn3)c2)c(Br)c1Cl,DOXPMMLYUFGLTC-OFNKIYASSA-N
27060
+ rxn:1:22861:48165,CCCc1nn(-c2cncc(-c3cn([C@H]4CN[C@H](C(=O)N5CCc6cc(OC)c(OC)cc6C5)C4)nn3)c2)c(I)c1Cl,HWMOIPFTNPLEKS-OFNKIYASSA-N
27061
+ rxn:1:22862:48165,CCCc1nn(-c2cncc(-c3cn([C@H]4CN[C@H](C(=O)N5CCc6cc(OC)c(OC)cc6C5)C4)nn3)c2)c(I)c1I,VKDIHMIWJZRFMI-OFNKIYASSA-N
27062
+ rxn:1:23615:59780,NC(Cc1ccccc1Cl)c1cn(C2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1,UBUQQONVOWJCGA-UHFFFAOYSA-N
27063
+ rxn:1:23728:59833,O=S1(=O)CC(F)(c2cn(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)nn2)C1,JGPBSDSBYHZZSY-UHFFFAOYSA-N
27064
+ rxn:1:24152:44594,CC(C)(C)OC(=O)N1CCC12CCC(c1cn(CCC#Cc3ccc4scnc4c3)nn1)CC2,SXYAOEBVDGLESH-UHFFFAOYSA-N
27065
+ rxn:1:24161:49474,Cc1ccc(S(=O)(=O)N2CCC(n3cc(C4CCC(N(C)C)CC4)nn3)CC2)cc1C,YXLGKJWAOHNWGC-UHFFFAOYSA-N
27066
+ rxn:1:24161:49475,Cc1ccc(S(=O)(=O)N2CCC(n3cc(C4CCC(N(C)C)CC4)nn3)CC2)c(C)c1,NEVDSHNTAGFCRO-UHFFFAOYSA-N
27067
+ rxn:1:24333:54828,O=C(O)C1CC1C(=O)NCc1cn(CCC2C(c3cccc(N4CCOCC4)c3)C2(F)F)nn1,PPEUGBSULPMGOH-UHFFFAOYSA-N
27068
+ rxn:1:2481:56886,CN1CCN(c2ccc(C3CC3Cn3cc(C4CCN(S(=O)(=O)Cl)CC4)nn3)cc2)CC1,AQGCTNNMIARLGT-UHFFFAOYSA-N
27069
+ rxn:1:27281:49830,O=C1SC(=Cc2ccc(N3CCCC3)cc2)C(=O)N1Cc1cn(CC2C(c3ccc(O)c(O)c3)C2(F)F)nn1,OMPCUOFSPLPCMO-UHFFFAOYSA-N
27070
+ rxn:1:28632:59801,NC12CCC(c3cn(CC4CCCN4S(=O)(=O)Cc4ccccc4F)nn3)(CC1)CC2,NLUFHECJCGJIRD-UHFFFAOYSA-N
27071
+ rxn:1:29098:44240,CC(=C(F)B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2cn(CCC#Cc3nc[nH]c3[N+](=O)[O-])nn2)c1,CQPRGPCUEOJBOY-UHFFFAOYSA-N
27072
+ rxn:1:29570:59983,CCC12CCC3C4CCC(=O)C=C4CCC3C1C=CC2(OS(=O)(=O)[O-])c1cn(CC2=NO[C@@H]3[C@H]4CC[C@H](C4)[C@H]23)nn1,LKVOTQVMAXFEFQ-DVYQKKHVSA-M
27073
+ rxn:1:29664:48588,O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)cc1-c1cn(CCC(O)C(O)c2cncc(O)c2)nn1,FJVILZDEZRTUJY-UHFFFAOYSA-N
27074
+ rxn:1:29664:48998,O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)cc1-c1cn(CCC(O)C(O)c2n[nH]c3ncnc(Cl)c23)nn1,SWWLALDSZCNXHY-UHFFFAOYSA-N
27075
+ rxn:1:29743:59887,CC(C)(C)OC(=O)N1CCC(=Cn2cc(-c3ccc(Br)cc3N3CCOCC3)nn2)CC1,NFUQEEHLYJHIOE-UHFFFAOYSA-N
27076
+ rxn:1:30149:52629,CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC3CCC(F)(F)CC3)nn2)c2cc(C3CC3)ccc2OCCC1,OOJMSOOTGFQACE-UHSQPCAPSA-N
27077
+ rxn:1:30149:61876,CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC3OCCNCC3(F)F)nn2)c2cc(C3CC3)ccc2OCCC1,AHKVTERTARXSEA-JWCQMFRASA-N
27078
+ rxn:1:30261:40112,O=C(O)c1[nH]ncc1C=CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(C(=O)C2CC(F)(F)C2)CCOc2ccccc23)nn1,QHIHOIPLCOBJGM-NBGIEHNGSA-N
27079
+ rxn:1:30261:43417,O=C(O)C1CC=CC(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(C(=O)C3CC(F)(F)C3)CCOc3ccccc34)nn2)C1,ILBWBKZHEYPQEW-HICUGXQBSA-N
27080
+ rxn:1:30261:44956,O=C(Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(C(=O)C2CC(F)(F)C2)CCOc2ccccc23)nn1)C1CCOC1,APVMVZOJMVPDBT-FXVCHHALSA-N
27081
+ rxn:1:30262:43417,O=C(O)C1CC=CC(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCN(C(=O)C3CC(F)(F)C3)CCCOc3ccccc34)nn2)C1,ZMPHLYZOCJSVBL-HICUGXQBSA-N
27082
+ rxn:1:30264:52629,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC3CCC(F)(F)CC3)nn2)c2cc(C3CC3)ccc2OCC1,AYUUIXBXUJJCMS-LBNVMWSVSA-N
27083
+ rxn:1:30410:55948,CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cn(CCI)nn3)CC2)CN(C)C(=O)c2cnn(c2)CC1,CBUXSMSGCPUOHS-UHFFFAOYSA-N
27084
+ rxn:1:30410:61753,CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cn(C4COCC4(F)F)nn3)CC2)CN(C)C(=O)c2cnn(c2)CC1,SLAAJGWWEYTELB-UHFFFAOYSA-N
27085
+ rxn:1:30410:65328,CC(C)C(=O)N1CCCC2(CCN(C(=O)c3cn(CCBr)nn3)CC2)CN(C)C(=O)c2cnn(c2)CC1,SNUFURSWBDRHDU-UHFFFAOYSA-N
27086
+ rxn:1:3045:59833,O=S(=O)(NC12CC3CC(CC(C3)C1)C2)n1cc(CCC2CC(F)(F)C2)nn1,MRXJYBPGJLWASE-UHFFFAOYSA-N
27087
+ rxn:1:30747:43228,CC(=O)N1CCCOc2ccccc2-c2noc(n2)CCC(=O)NC(C2CCN(C(=O)c3cn(CC4CC(C(F)(F)F)CO4)nn3)CC2)CC1,QGXVFJKBSLFJMC-UHFFFAOYSA-N
27088
+ rxn:1:30988:41251,CC(C)(C)OC(=O)N1CCOC2(CC(c3cn(CC=Cc4ccc5c(Cl)ncnc5c4)nn3)C2)C1,OUIHTWZWNGXLTE-UHFFFAOYSA-N
27089
+ rxn:1:30988:41620,CC(C)(C)OC(=O)N1CCOC2(CC(c3cn(CC=Cc4ccc5ncnc(Cl)c5c4)nn3)C2)C1,XMALMOVQHKMWBP-UHFFFAOYSA-N
27090
+ rxn:1:30998:40719,CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@H](c1cn(CC=Cc3c[nH]c4c(Cl)ncnc34)nn1)C2,PWYSHWWRJXJREV-PAVFIEEWSA-N
27091
+ rxn:1:30998:43713,CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@H](c1cn(CC#Cc3c[nH]c4ncc(Br)cc34)nn1)C2,MFACYRDXZDDCGG-SMQSCJQKSA-N
27092
+ rxn:1:30998:43738,CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@H](c1cn(CC#Cc3ccc4ncnc(Cl)c4c3)nn1)C2,LOWTUFWFTRCAKF-HMRCJKRNSA-N
27093
+ rxn:1:30998:43739,CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@H](c1cn(CC#Cc3ccnc4cc(Cl)ccc34)nn1)C2,USMXVSMJPDPKFI-VLZXCDOPSA-N
27094
+ rxn:1:31354:51305,COC(=O)N1CCO[C@H](c2cn(CC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)C1,SBCBLWSBDPJUEM-SYYJFZTOSA-N
27095
+ rxn:1:31354:54802,COC(=O)N1CCO[C@H](c2cn(CCC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)C1,CALLSGSDQAFPFW-CKHPTIKVSA-N
27096
+ rxn:1:31856:61995,CC1(c2cn(C3C4CC5CC(C4)CC3C5)nn2)OC(=O)N(S(C)(=O)=O)c2ccccc21,RVRAGNHWXJXOGV-UHFFFAOYSA-N
27097
+ rxn:1:31890:52586,CC(C)(C)OC(=O)N1CCC(CF)(c2cn(CCC3CC3c3cnc4[nH]ncc4c3)nn2)CC1,PDFAEOIVFDBJFI-UHFFFAOYSA-N
27098
+ rxn:1:3205:59833,O=S(=O)(NC12CC3CC(CC(C3)C1)C2)n1cc(CC2CC(F)(F)C2)nn1,LSPRTHNEQCDQHU-UHFFFAOYSA-N
27099
+ rxn:1:32101:46524,CC(C)(C)OC(=O)N1CCC2(CC(c3cn(CCC=Cc4ccc5c(Cl)ncnc5c4)nn3)C2)C1,CERLHPJCHQWJDV-UHFFFAOYSA-N
27100
+ rxn:1:32101:46759,CC(C)(C)OC(=O)N1CCC2(CC(c3cn(CCC=Cc4ccc5ncnc(Cl)c5c4)nn3)C2)C1,VWXOSVVUKYWOFM-UHFFFAOYSA-N
27101
+ rxn:1:32299:54292,C=CCOC(=O)N1CC2(CCOCC2)C1c1cn(CCC2C(c3n[nH]c4ncccc34)C2(F)F)nn1,HWTZMLYWDROLST-UHFFFAOYSA-N
27102
+ rxn:1:32299:54296,C=CCOC(=O)N1CC2(CCOCC2)C1c1cn(CCC2C(c3ccc4[nH]nnc4c3)C2(F)F)nn1,HWXIIFSOIURIDV-UHFFFAOYSA-N
27103
+ rxn:1:33262:53325,COC(=O)[C@@H]1COCCN1C(=O)c1ccc(-c2cn(CCC3C(c4cn[nH]c4)C3(F)F)nn2)c(C)c1,YZLFHRKXPCDABI-CKHPTIKVSA-N
27104
+ rxn:1:33908:49287,CO[C@H]1CC[C@@H](NC(=O)c2ccc(-c3cn(CCC(O)C(O)c4c[nH]c5nc(Cl)nc(Cl)c45)nn3)cc2Cl)CC1,IYYAZIHUAHEOMJ-WKVQFJFHSA-N
27105
+ rxn:1:33996:53145,COC(=O)[C@H]1COCCN1C(=O)c1ccc(-c2cn(CCC3CC3c3c[nH]c4nc(Cl)nc(Cl)c34)nn2)c(C)c1,YNGCHUAPLZKDOB-ZYKWQNGHSA-N
27106
+ rxn:1:33996:54262,COC(=O)[C@H]1COCCN1C(=O)c1ccc(-c2cn(CCC3C(c4ccc5[nH]ncc5c4)C3(F)F)nn2)c(C)c1,PODPAFQGLXVWOZ-OOAAYMRMSA-N
27107
+ rxn:1:36972:49415,CC(C)(C)OC(=O)N1CC=C(c2ccccc2-c2cn(CCN3CCNCC3)nn2)CC1,HUQWLQGIWOAHFC-UHFFFAOYSA-N
27108
+ rxn:1:37753:49340,CC(C)(C)OC(=O)N1CCCN([C@@H]2COC[C@@H]2n2cc(-c3ccc4c(Cl)nccc4c3)nn2)CC1,PJZQTZIYHORISL-YADHBBJMSA-N
27109
+ rxn:1:39201:61025,O=C(OCc1cn(CC(=O)N2CCC(N3CCCC3)CC2)nn1)c1cc(Br)c2[nH]c(-c3ccccc3Br)nc2c1,DCPCVRWIRSFBRN-UHFFFAOYSA-N
27110
+ rxn:1:40112:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC=Cc5cn[nH]c5C(=O)O)nn4)ncn3)CC2)OC1(C)C,XLIKHSAAVFQYHD-UHFFFAOYSA-N
27111
+ rxn:1:40293:18110,COC(=O)N1CCc2nn(C3CCSCC3)c(-c3cn(CC=Cc4ccc(CCl)c(F)c4)nn3)c2C1,TWJGRILTIAJXAM-UHFFFAOYSA-N
27112
+ rxn:1:40719:37068,CC(C)(C)OC(=O)N1CC2(CC(=Cc3ccc(F)cc3-c3cn(CC=Cc4c[nH]c5c(Cl)ncnc45)nn3)C2)C1,OABKPHZZLVIBMU-UHFFFAOYSA-N
27113
+ rxn:1:42262:8113,Cc1nc(F)ccc1C#CCn1cc(C(=O)N2CCCC(c3ccc(C(=O)N4CCN(C)CC4)cn3)C2)nn1,DAKBCUXNZDVJMB-UHFFFAOYSA-N
27114
+ rxn:1:42765:30261,CC1OCCC12CCC(Cn1cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(C(=O)C3CC(F)(F)C3)CCOc3ccccc34)nn1)O2,MHPZEOZQLDSLOL-MMSXJPGYSA-N
27115
+ rxn:1:42790:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC#Cc2ccc3c(c2)C(=O)OC3)nn1,GRDWXIIQOKDRTI-UHFFFAOYSA-N
27116
+ rxn:1:4310:60942,CC(C)N1CCC(Nc2cccc(-c3cn(CC(=O)N4CCC(C)(CF)CC4)nn3)c2)C1,GFEWRTWATXFONL-UHFFFAOYSA-N
27117
+ rxn:1:43312:9534,CC1(C)CC12COC(Cn1cc(COC(=O)N3CCC(c4nc5cc(F)ccc5[nH]4)CC3)nn1)C2,XSAOYRRTWBVDKC-UHFFFAOYSA-N
27118
+ rxn:1:43389:9460,O=C(O)C1CSC(c2cc(Br)ccc2OCc2cn(CC#Cc3cnn([C@@H]4CCCCO4)c3)nn2)N1,YLHDIAFHQIKMIQ-APKLWFBNSA-N
27119
+ rxn:1:43393:18122,CC(C)(C)OC(=O)N1CCc2nn(C3CCOC3)c(-c3cn(CC#Cc4ccc5nc(Cl)ccc5c4)nn3)c2C1,SJBYJYQUVQOSEU-UHFFFAOYSA-N
27120
+ rxn:1:43396:18121,CC(C)(C)OC(=O)N1CCc2nn(C3CCCC3)c(-c3cn(CC#Cc4cnc(Cl)c5ccccc45)nn3)c2C1,RSTOXSLYIXTYFQ-UHFFFAOYSA-N
27121
+ rxn:1:43417:29899,O=C(O)C1CC=CC(n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(Cc3ncccc3F)CCOc3ccccc34)nn2)C1,GKJCUIFPQPYDBJ-YHYXDRQDSA-N
27122
+ rxn:1:43455:3792,CC(C)(C)OC(=O)N1CC=C(c2cn(CC#Cc3ccc(C4CCNCC4)cc3)nn2)CC1,MLRAQQCXTLAULK-UHFFFAOYSA-N
27123
+ rxn:1:43455:9460,O=C(O)C1CSC(c2cc(Br)ccc2OCc2cn(CC#Cc3ccc(C4CCNCC4)cc3)nn2)N1,SHEWOONKSMCWBB-UHFFFAOYSA-N
27124
+ rxn:1:43460:29829,O=C(O)c1[nH]c2ccccc2c1C#CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ncccc2F)CCCOc2ccccc23)nn1,JJOCJAYMGBPIOJ-OGVWKLGRSA-N
27125
+ rxn:1:43460:29889,O=C(O)c1[nH]c2ccccc2c1C#CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ccncc2F)CCOc2ccccc23)nn1,BKOJTGBWFATLOJ-OGVWKLGRSA-N
27126
+ rxn:1:43476:29090,CC1(C)OB(C(F)=C2CCN(c3cc(-c4cn(CC#Cc5cc([N+](=O)[O-])c6cn[nH]c6c5)nn4)ncn3)CC2)OC1(C)C,JAZAJULSXYBEKH-UHFFFAOYSA-N
27127
+ rxn:1:43563:34589,CCC1CCC(C(=O)Nc2ncc(Br)nc2-c2cn(CC#Cc3ccc(N4CCN(C)CC4)cc3)nn2)CC1,WLMBGASEBLNEKB-UHFFFAOYSA-N
27128
+ rxn:1:44134:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC#Cc2ncc(F)cc2C)nn1,XBAHPGSYWAXQRP-UHFFFAOYSA-N
27129
+ rxn:1:44586:8677,CC(c1cn(CCC#Cc2cnc3cc[nH]c3c2)nn1)N1CCCN(C(=O)OC(C)(C)C)CC1,CVKXYSHMJVCLAB-UHFFFAOYSA-N
27130
+ rxn:1:44587:37247,CC(C)(C)OC(=O)N1CC2(CC(=Cc3cccc(-c4cn(CCC#Cc5cccc6cn[nH]c56)nn4)c3F)C2)C1,LYMVCIMSTFHDNR-UHFFFAOYSA-N
27131
+ rxn:1:44590:37247,CC(C)(C)OC(=O)N1CC2(CC(=Cc3cccc(-c4cn(CCC#Cc5ccc6cn[nH]c6c5)nn4)c3F)C2)C1,AYLPYKWDQWVOBO-UHFFFAOYSA-N
27132
+ rxn:1:45099:27126,O=C(O)c1cc(Cl)nc(N2CC(c3cn(CCC#Cc4cccc(N5CCNCC5)c4)nn3)CC2=O)c1,GBMJSDGMGDZULN-UHFFFAOYSA-N
27133
+ rxn:1:45825:18110,COC(=O)N1CCc2nn(C3CCSCC3)c(-c3cn(CCC=Cc4ccc(Cl)c(CCl)c4)nn3)c2C1,ZVFLYMZFKJJKMH-UHFFFAOYSA-N
27134
+ rxn:1:46572:34113,COC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2cn(CCC=Cc3cnc(N4CCCC4)nc3)nn2)cc1Cl,CWMWJFJEWSCFCC-XMMPIXPASA-N
27135
+ rxn:1:47565:29664,O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)cc1-c1cn(CC(O)C(O)c2cnc3c(c2)CCN3)nn1,VSNSVXORXIPOLC-UHFFFAOYSA-N
27136
+ rxn:1:4799:54247,O=C(CN1C(=O)NC2(CCNCC2)C1=O)OCc1cn(CCC2C(c3ccc4sccc4c3)C2(F)F)nn1,FTLFNVZTQNNYMU-UHFFFAOYSA-N
27137
+ rxn:1:48795:8002,CC1(C)OB(c2ccc(OCCn3cc(C(=O)N4CCC(c5ccn[nH]5)CC4)nn3)cc2)OC1(C)C,ZUVIZYNKBSXNEV-UHFFFAOYSA-N
27138
+ rxn:1:49075:29898,O=C(O)c1ccncc1-n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ccc(F)cn2)CCOc2ccccc23)nn1,QPVCAPASEIWTAC-KDYSTLNUSA-N
27139
+ rxn:1:49467:8825,N#Cc1ccc(S(=O)(=O)N2CCC(n3cc(CO[C@H]4CN5CCC4CC5)nn3)CC2)cc1,NNHJWPWVOVAUFH-QFIPXVFZSA-N
27140
+ rxn:1:49471:32503,CNCC1CCC(c2cn(C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)nn2)CC1,RMGCWELLNWNVNR-UHFFFAOYSA-N
27141
+ rxn:1:49562:33788,COC(=O)C1CN(C(=O)c2ccc(C)c(-c3cn(CC4C(c5[nH]cnc5C)C4(F)F)nn3)c2)CCO1,MTSYUQGOKDMOBB-UHFFFAOYSA-N
27142
+ rxn:1:49562:33996,COC(=O)[C@H]1COCCN1C(=O)c1ccc(-c2cn(CC3C(c4[nH]cnc4C)C3(F)F)nn2)c(C)c1,RZUGDJXNJXIWTE-SKINQDTJSA-N
27143
+ rxn:1:49575:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2C(c3c[nH]nc3N)C2(F)F)nn1,MQJHXZMHXWKKPL-UHFFFAOYSA-N
27144
+ rxn:1:50318:33990,COC[C@H]1CCCN1C(=O)c1ccc(C)c(-c2cn(CC3C(c4c[nH]nc4C(=O)OC)C3(F)F)nn2)c1,GNJGGURTHRGHPM-YLZJTPGZSA-N
27145
+ rxn:1:50318:35084,COC[C@@H]1CCCN1C(=O)c1ccc(C)c(-c2cn(CC3C(c4c[nH]nc4C(=O)OC)C3(F)F)nn2)c1,GNJGGURTHRGHPM-YQHFOJDRSA-N
27146
+ rxn:1:50438:5252,CCN1CCCC(C(C)Nc2cccc(-c3cn(CC4C(c5ccc(C(=O)OC)[nH]5)C4(F)F)nn3)c2)C1,WZDWVPUCBPOBBN-UHFFFAOYSA-N
27147
+ rxn:1:50463:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC4C(c5ccc(OC)nc5C)C4(F)F)nn3)c2)CC1,USNJEHHQBDCAAH-UHFFFAOYSA-N
27148
+ rxn:1:50487:4799,O=C(CN1C(=O)NC2(CCNCC2)C1=O)OCc1cn(CC2C(c3ccc4sccc4c3)C2(F)F)nn1,CVXQYZSKXKTROF-UHFFFAOYSA-N
27149
+ rxn:1:50505:4799,O=C(CN1C(=O)NC2(CCNCC2)C1=O)OCc1cn(CC2C(c3cnc4[nH]ccc4c3)C2(F)F)nn1,OGCRQMYRAIKGQD-UHFFFAOYSA-N
27150
+ rxn:1:50525:18109,COC(=O)N1CCc2nn(C3CCOCC3)c(-c3cn(CC4C(c5ccc6cc[nH]c6c5)C4(F)F)nn3)c2C1,JPDXMZGFIITVHD-UHFFFAOYSA-N
27151
+ rxn:1:50547:4799,O=C(CN1C(=O)NC2(CCNCC2)C1=O)OCc1cn(CC2C(c3csc(C4OCCO4)c3)C2(F)F)nn1,XRSYWLXETFOURT-UHFFFAOYSA-N
27152
+ rxn:1:50688:25220,COC(=O)c1ccnc(N2CC(c3cn(CC4C(c5ccc(OC)cc5OC)C4(F)F)nn3)CC2=O)c1,XALRKOBHNOWHSN-UHFFFAOYSA-N
27153
+ rxn:1:50870:33686,CCC1CCC(C(=O)Nc2cncc(-c3cn(CC4C(c5ccc(C(=O)OC)nc5)C4(F)F)nn3)c2)CC1,RRILIOBJUOQEAM-UHFFFAOYSA-N
27154
+ rxn:1:50872:15478,CNC(=O)c1cn(Cc2cn(CC3C(c4cccnc4C(=O)OC)C3(F)F)nn2)nc1C1CCCC1,XPKIHXQAIIMUSN-UHFFFAOYSA-N
27155
+ rxn:1:50872:17647,CCC(CC)n1nc(-c2cn(CC3C(c4cccnc4C(=O)OC)C3(F)F)nn2)cc1C1CCCC1,UCODVJKKKKJNPB-UHFFFAOYSA-N
27156
+ rxn:1:50880:35173,CCN(C(=O)c1ccc(-c2cn(CC3C(c4cc(C(=O)OC)ccn4)C3(F)F)nn2)c(C)c1)C1CCOCC1,FHVORNBXLAHCBL-UHFFFAOYSA-N
27157
+ rxn:1:50881:13650,COC(=O)c1ccc(C2C(Cn3cc(-c4ccc(C(=O)N5CCN(C6CCCCC6)CC5)cc4)nn3)C2(F)F)nc1,ZTWYJNRGDOLKCQ-UHFFFAOYSA-N
27158
+ rxn:1:50881:8297,CCc1nccn1-c1cccc(C2CCCN(C(=O)c3cn(CC4C(c5ccc(C(=O)OC)cn5)C4(F)F)nn3)C2)n1,SFRBEXAAACYMHY-UHFFFAOYSA-N
27159
+ rxn:1:50887:3102,CCOC(=O)C1(Cc2cn(CC3C(c4ccnc(C(=O)OC)c4)C3(F)F)nn2)CCNCC1,LERLSWYZNWJLFZ-UHFFFAOYSA-N
27160
+ rxn:1:50974:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC4C(c5cc(OC)c(OC)cc5Br)C4(F)F)nn3)nc2)CC1,LFVHNRRNXWRVFQ-UHFFFAOYSA-N
27161
+ rxn:1:51000:33338,CCC1(C(=O)Nc2cncc(-c3cn(CC4C(c5ccc(OC)c(OC)c5Cl)C4(F)F)nn3)c2)COC1,QACASBQWGZVWOB-UHFFFAOYSA-N
27162
+ rxn:1:51014:33338,CCC1(C(=O)Nc2cncc(-c3cn(CC4C(c5cccc(C(=O)OC)c5C)C4(F)F)nn3)c2)COC1,OGHQHPMPGLDCNE-UHFFFAOYSA-N
27163
+ rxn:1:51052:33338,CCC1(C(=O)Nc2cncc(-c3cn(CC4C(c5c(O)cc(OC)cc5OC)C4(F)F)nn3)c2)COC1,QNBHTRIXIGFAPZ-UHFFFAOYSA-N
27164
+ rxn:1:51131:34822,CCC1CCC(C(=O)Nc2ccc(-c3cn(CC4C(c5cnc(C(=O)OC)c(C)c5)C4(F)F)nn3)nc2)CC1,UWEUEGOGKVLOGS-UHFFFAOYSA-N
27165
+ rxn:1:51215:18107,COC(=O)N1CCc2nn(CC3CCCCC3)c(-c3cn(CC4C(c5ccc(-c6cc[nH]n6)cc5)C4(F)F)nn3)c2C1,KXRYWOZQLZLHRP-UHFFFAOYSA-N
27166
+ rxn:1:51224:18110,COC(=O)N1CCc2nn(C3CCSCC3)c(-c3cn(CC4C(c5ccccc5-c5cc[nH]n5)C4(F)F)nn3)c2C1,USGBGYSCFXKFSU-UHFFFAOYSA-N
27167
+ rxn:1:51225:12660,CN1CCC(OC(=O)c2ccc(-c3cn(CC4C(c5csc(N6CCOCC6)n5)C4(F)F)nn3)cc2)CC1,CKPLHORVGCPTKU-UHFFFAOYSA-N
27168
+ rxn:1:51244:10899,O=C(O)C1CCCCC1C(=O)Nc1cccc(-c2cn(CC3C(c4cccc(N5CCCC5)c4)C3(F)F)nn2)c1,RFWZTKPAPYRXFN-UHFFFAOYSA-N
27169
+ rxn:1:51273:16740,ON=Cc1cnn(-c2ccc(-c3cn(CC4C(c5cnc(N6CCCC6)nc5)C4(F)F)nn3)cc2)c1C1CCCCC1,XYMGKYWWZCAJBT-UHFFFAOYSA-N
27170
+ rxn:1:51305:14129,O=C(O)c1ccc(OCC2CC2)c(-c2cn(CC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)c1,XTVDXHSRATVMOR-UHFFFAOYSA-N
27171
+ rxn:1:51305:24333,O=C(O)C1CC1C(=O)NCc1cn(CC2C(c3cccc(N4CCNCC4)c3)C2(F)F)nn1,YGZPLNZZUXYJCL-UHFFFAOYSA-N
27172
+ rxn:1:51305:34618,COC(=O)C1=CCN(C(=O)c2ccc(-c3cn(CC4C(c5cccc(N6CCNCC6)c5)C4(F)F)nn3)c(C)c2)CC1,DCZBVILIXGTHME-UHFFFAOYSA-N
27173
+ rxn:1:51305:5704,O=C(O)c1ccccc1OC1(c2cn(CC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)CCCC1,DBWZRSHHNFCFHR-UHFFFAOYSA-N
27174
+ rxn:1:51305:5708,O=C(O)c1ccc(OC2(c3cn(CC4C(c5cccc(N6CCNCC6)c5)C4(F)F)nn3)CCCC2)cc1,RKEWGLLSKRZWIO-UHFFFAOYSA-N
27175
+ rxn:1:51306:24333,O=C(O)C1CC1C(=O)NCc1cn(CC2C(c3ccc(N4CCNCC4)cc3)C2(F)F)nn1,IBMCVOPSXKRBDU-UHFFFAOYSA-N
27176
+ rxn:1:51306:34618,COC(=O)C1=CCN(C(=O)c2ccc(-c3cn(CC4C(c5ccc(N6CCNCC6)cc5)C4(F)F)nn3)c(C)c2)CC1,WYISAQLYVOKEHL-UHFFFAOYSA-N
27177
+ rxn:1:51318:23655,COC(=O)c1cc(-c2cn(CC3C(c4ccc(C5CCNCC5)cc4)C3(F)F)nn2)cc(C(=O)OC)n1,DKPDNFCNUROUSA-UHFFFAOYSA-N
27178
+ rxn:1:51319:27891,O=C(O)c1ccc(-c2cn(CC3C(c4cccc(N5CCCCC5)c4)C3(F)F)nn2)cc1N1CCOCC1,XTSLBWSFUQEXJD-UHFFFAOYSA-N
27179
+ rxn:1:51332:39418,O=C(O)C(Cc1cn(CC2C(c3ccccc3N3CCOCC3)C2(F)F)nn1)N1C(=O)C=CC1=O,CWVZMFZHVGGAOK-UHFFFAOYSA-N
27180
+ rxn:1:51335:10899,O=C(O)C1CCCCC1C(=O)Nc1cccc(-c2cn(CC3C(c4ccc(N5CCOCC5)cc4)C3(F)F)nn2)c1,SXAQUGHXZTUJHP-UHFFFAOYSA-N
27181
+ rxn:1:51456:12614,COC(=O)c1cc(C2C(Cn3cc(-c4cccc(C(=O)N5CCC(N6CCCC6)CC5)c4)nn3)C2(F)F)cc2[nH]ncc12,HPSVDJYVCMNEMJ-UHFFFAOYSA-N
27182
+ rxn:1:51456:13385,COC(=O)c1cc(C2C(Cn3cc(-c4cccc(C(=O)N5CCC(N6CCCCC6)CC5)c4)nn3)C2(F)F)cc2[nH]ncc12,DWQGXPHLXFLUPS-UHFFFAOYSA-N
27183
+ rxn:1:51456:3102,CCOC(=O)C1(Cc2cn(CC3C(c4cc(C(=O)OC)c5cn[nH]c5c4)C3(F)F)nn2)CCNCC1,FRSHASZRYADERB-UHFFFAOYSA-N
27184
+ rxn:1:51456:33085,CCC1CCC(C(=O)Nc2ccncc2-c2cn(CC3C(c4cc(C(=O)OC)c5cn[nH]c5c4)C3(F)F)nn2)CC1,XPLHPIJZRFBLMD-UHFFFAOYSA-N
27185
+ rxn:1:51456:33323,COCC1CN(C(=O)c2ccc(-c3cn(CC4C(c5cc(C(=O)OC)c6cn[nH]c6c5)C4(F)F)nn3)c(C)c2)C1,XAHKYRWELJEGNJ-UHFFFAOYSA-N
27186
+ rxn:1:51456:39381,CNC(=O)C1CCCCN1Cc1cn(CC2C(c3cc(C(=O)OC)c4cn[nH]c4c3)C2(F)F)nn1,IHGCPCYKWVETLD-UHFFFAOYSA-N
27187
+ rxn:1:51456:4411,COC(=O)c1cc(C2C(Cn3cc(CCN4CCCC4C(=O)N4CCNCC4)nn3)C2(F)F)cc2[nH]ncc12,JMGQJWINMDSWIQ-UHFFFAOYSA-N
27188
+ rxn:1:51456:6197,CCOC(=O)C1CCCN(c2cc(-c3cn(CC4C(c5cc(C(=O)OC)c6cn[nH]c6c5)C4(F)F)nn3)ncn2)C1,OFBCETWYGYFZDY-UHFFFAOYSA-N
27189
+ rxn:1:51457:16745,COC(=O)c1ccc2c(C3C(Cn4cc(-c5cnn(-c6ccc(OC)cc6OC)c5C5CCCCC5)nn4)C3(F)F)n[nH]c2c1,ZWYCWLDYNKQVQA-UHFFFAOYSA-N
27190
+ rxn:1:51457:33054,CCC1CCC(N(C)C(=O)c2ccc(C)c(-c3cn(CC4C(c5n[nH]c6cc(C(=O)OC)ccc56)C4(F)F)nn3)c2)CC1,XXFUIWBRWNFENS-UHFFFAOYSA-N
27191
+ rxn:1:51457:4677,COC(=O)c1ccc2c(C3C(Cn4cc(Cn5c(C6CCNCC6)nc6cc(OC(C)C)ccc65)nn4)C3(F)F)n[nH]c2c1,CCABBPBCPCKLKT-UHFFFAOYSA-N
27192
+ rxn:1:51457:4679,COC(=O)c1ccc2c(C3C(Cn4cc(Cn5c(C6CCCNC6)nc6cc(OC(C)C)ccc65)nn4)C3(F)F)n[nH]c2c1,FWTZFCJHKUAGIS-UHFFFAOYSA-N
27193
+ rxn:1:51471:17709,COC(=O)c1ccc2c(C3C(Cn4cc(-c5cc(CC6CCCC6)n(C6CCCCC6)n5)nn4)C3(F)F)c[nH]c2c1,PMBBSNJXVREWEF-UHFFFAOYSA-N
27194
+ rxn:1:51471:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CC4C(c5c[nH]c6cc(C(=O)OC)ccc56)C4(F)F)nn3)c2)CC1,IGIUAMOWKNGUIJ-UHFFFAOYSA-N
27195
+ rxn:1:51471:4677,COC(=O)c1ccc2c(C3C(Cn4cc(Cn5c(C6CCNCC6)nc6cc(OC(C)C)ccc65)nn4)C3(F)F)c[nH]c2c1,CLUQLUTUBHOXAP-UHFFFAOYSA-N
27196
+ rxn:1:51471:8292,CCc1nccn1-c1cncc(C2CCCN(C(=O)c3cn(CC4C(c5c[nH]c6cc(C(=O)OC)ccc56)C4(F)F)nn3)C2)n1,XQEOPPKTLMUKBP-UHFFFAOYSA-N
27197
+ rxn:1:51471:9456,COC(=O)c1ccc2c(C3C(Cn4cc(COC(=O)N5CCCNCC5)nn4)C3(F)F)c[nH]c2c1,HAUITIGQSDUZAV-UHFFFAOYSA-N
27198
+ rxn:1:51476:13839,O=C(O)[C@H]1CCC(=O)N1Cc1cn(CC2C(c3ccc(N4CCC(O)CC4)cc3)C2(F)F)nn1,GKZSMOWFYSJHIK-OBXNSHGQSA-N
27199
+ rxn:1:51476:16125,O=C(O)c1cn(-c2ccc(-c3cn(CC4C(c5ccc(N6CCC(O)CC6)cc5)C4(F)F)nn3)cc2)nc1CC1CCCC1,FVNAZIJVPGMNHQ-UHFFFAOYSA-N
27200
+ rxn:1:51476:39272,O=C(O)C(=O)NCc1cn(CC2C(c3ccc(N4CCC(O)CC4)cc3)C2(F)F)nn1,CZWKXRCDRPKGLT-UHFFFAOYSA-N
27201
+ rxn:1:51538:29930,O=C(Cl)Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(C(=O)c2ccon2)CCOc2ccccc23)nn1,RMRLEPAEYYZWDP-LAUBAEHRSA-N
27202
+ rxn:1:51993:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2CC2c2c(Cl)ncnc2Cl)nn1,QAFVAOCTAWZYBU-UHFFFAOYSA-N
27203
+ rxn:1:53178:29986,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC3CCC4C(CC3)C4(F)F)nn2)c2ccccc2OCC1,LWNWLFISCLCLRA-JPDKQCIVSA-N
27204
+ rxn:1:53325:33848,COC(=O)[C@H]1CN(C(=O)c2ccc(-c3cn(CCC4C(c5cn[nH]c5)C4(F)F)nn3)c(C)c2)CCO1,OFAHAAPMLBMLIT-VEDCXYSMSA-N
27205
+ rxn:1:53325:33996,COC(=O)[C@H]1COCCN1C(=O)c1ccc(-c2cn(CCC3C(c4cn[nH]c4)C3(F)F)nn2)c(C)c1,YZLFHRKXPCDABI-VEDCXYSMSA-N
27206
+ rxn:1:53377:33996,COC(=O)[C@H]1COCCN1C(=O)c1ccc(-c2cn(CCC3C(c4c[nH]nc4N)C3(F)F)nn2)c(C)c1,CRYFFEHMMPLVGP-SKINQDTJSA-N
27207
+ rxn:1:53514:32197,CC(C)(C)OC(=O)[C@H]1C[C@H](c2cn(CCC3C(c4c[nH]nc4C#N)C3(F)F)nn2)C1,DHAASRJEMDHXIH-LGSWDZDYSA-N
27208
+ rxn:1:53749:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CCC4C(c5cc(O)nnc5O)C4(F)F)nn3)nc2)CC1,OKPFFZGTUATIRD-YJZRFNNXSA-N
27209
+ rxn:1:537:62271,COC(=O)c1ccc(Br)c(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,GWAHGMKIUPIGKY-UHFFFAOYSA-N
27210
+ rxn:1:53968:33655,CCN1CCC(C(=O)Nc2cncc(-c3cn(CCC4C(c5cccc(OC)c5O)C4(F)F)nn3)c2)CC1,VUZIXTPYSOXTSD-UHFFFAOYSA-N
27211
+ rxn:1:54107:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CCC4C(c5cnc(Cl)nc5OC)C4(F)F)nn3)nc2)CC1,GLOOUUMGJNRMKO-UHFFFAOYSA-N
27212
+ rxn:1:54225:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CCC4C(c5ccc(OC)nc5C)C4(F)F)nn3)nc2)CC1,JQJLLWSAJFFNFC-UHFFFAOYSA-N
27213
+ rxn:1:54263:4799,O=C(CN1C(=O)NC2(CCNCC2)C1=O)OCc1cn(CCC2C(c3cnc4[nH]ccc4c3)C2(F)F)nn1,ADQAVXRUQMCRRF-UHFFFAOYSA-N
27214
+ rxn:1:54266:18110,COC(=O)N1CCc2nn(C3CCSCC3)c(-c3cn(CCC4C(c5cnc6cc[nH]c6c5)C4(F)F)nn3)c2C1,ARNQDSNGOPVKCF-UHFFFAOYSA-N
27215
+ rxn:1:54266:33262,COC(=O)[C@@H]1COCCN1C(=O)c1ccc(-c2cn(CCC3C(c4cnc5cc[nH]c5c4)C3(F)F)nn2)c(C)c1,SYXXCKOJKWRQJW-SILAFFCESA-N
27216
+ rxn:1:54313:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CCC2C(c3n[nH]c4nc[nH]c(=O)c34)C2(F)F)nn1,INSALFQGYZXNGR-UHFFFAOYSA-N
27217
+ rxn:1:54329:15004,COC(=O)C1CCCC(C(C)C)N1Cc1cn(CCC2C(c3ccc4[nH]c(=O)[nH]c4c3)C2(F)F)nn1,JBYSRILOSGLXIF-UHFFFAOYSA-N
27218
+ rxn:1:54802:25232,COC(=O)c1cnc(N2CC(c3cn(CCC4C(c5cccc(N6CCNCC6)c5)C4(F)F)nn3)CC2=O)o1,INQIKKOLTYJAPC-UHFFFAOYSA-N
27219
+ rxn:1:54802:27333,O=C(O)c1ncccc1N1CC(c2cn(CCC3C(c4cccc(N5CCNCC5)c4)C3(F)F)nn2)CC1=O,DNTQUAKYQCRLEV-UHFFFAOYSA-N
27220
+ rxn:1:54803:31354,COC(=O)N1CCO[C@H](c2cn(CCC3C(c4ccc(N5CCNCC5)cc4)C3(F)F)nn2)C1,WDDJFQQHMCEQBP-CKHPTIKVSA-N
27221
+ rxn:1:54826:12272,O=C(O)[C@H]1CCCN1C(=O)c1cn(CCC2C(c3ccccc3N3CCOCC3)C2(F)F)nn1,CFYBAPKKOUSNGL-NQKNOSNGSA-N
27222
+ rxn:1:54828:27408,O=C(O)c1n[nH]c(N2CC(c3cn(CCC4C(c5cccc(N6CCOCC6)c5)C4(F)F)nn3)CC2=O)n1,RBSBWCKAHUQFNN-UHFFFAOYSA-N
27223
+ rxn:1:54828:27892,O=C(O)c1ccc(-c2cn(CCC3C(c4cccc(N5CCOCC5)c4)C3(F)F)nn2)cc1N1CCCC1,QBDSOUHTDKCECU-UHFFFAOYSA-N
27224
+ rxn:1:54870:16546,COC(=O)c1cnn(-c2ccc(-c3cn(CCC4C(c5ccc(N6CCC(O)CC6)cc5)C4(F)F)nn3)cc2)c1C1CCC1,CRPVFHJBXIAMJU-UHFFFAOYSA-N
27225
+ rxn:1:54870:27891,O=C(O)c1ccc(-c2cn(CCC3C(c4ccc(N5CCC(O)CC5)cc4)C3(F)F)nn2)cc1N1CCOCC1,UKWUJICXLOJTTJ-UHFFFAOYSA-N
27226
+ rxn:1:55369:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2CC2c2c(Cl)ncnc2Cl)nn1,OCGCNSZJLTXKLH-UHFFFAOYSA-N
27227
+ rxn:1:55681:33772,COCc1ccc(C2CC2Cn2cc(-c3ccc(NC(=O)[C@H]4CC[C@H](C(C)(C)C)CC4)cn3)nn2)cc1,OXFIYYZZCSYYSI-WDDOOKFPSA-N
27228
+ rxn:1:56568:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(CC3CC3c3cnc(F)c(C(=O)OC)c3)nn2)CC1,XRKFZUGJIORNPL-UHFFFAOYSA-N
27229
+ rxn:1:56570:4139,COC(=O)c1cnc(Cl)c(C2CC2Cn2cc(CNCC(=O)N3CCOCC3)nn2)c1,OGXASRBCGBIFET-UHFFFAOYSA-N
27230
+ rxn:1:57170:30262,O=C1NCCN(C(=O)C2CC(F)(F)C2)CCCOc2ccccc2[C@H]2CCN(C(=O)c3cn(CCCc4cncc(O)c4)nn3)[C@@H]1C2,OIAJIYDYBZRLON-NEKDWFFYSA-N
27231
+ rxn:1:58056:24152,CC(C)(C)OC(=O)N1CCC12CCC(c1cn(CCCc3ccc4nc(Cl)sc4c3)nn1)CC2,RMBRDPCGRMGJLO-UHFFFAOYSA-N
27232
+ rxn:1:58793:29914,CN1CC2(CCCN(Cc3ccncc3F)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CCCCc3cccnc3Br)nn1)CC2,FEUCMCKKOYBTKI-UHFFFAOYSA-N
27233
+ rxn:1:59186:33772,Cc1c(CCCCn2cc(-c3ccc(NC(=O)[C@H]4CC[C@H](C(C)(C)C)CC4)cn3)nn2)ccc(F)c1F,FNSKUCPYQLQOEV-HZCBDIJESA-N
27234
+ rxn:1:59779:1988,CCCCC1CCC(c2ccc(-c3cn(C4CCN(S(=O)(=O)N5CCCCCC5)CC4)nn3)cc2)CC1,LORQASFRCOGRLG-UHFFFAOYSA-N
27235
+ rxn:1:59833:1326,O=S(=O)(NC12CC3CC(CC(C3)C1)C2)n1cc(CCNC2CCC(F)(F)CC2)nn1,BLCOIUVDMXDXGW-UHFFFAOYSA-N
27236
+ rxn:1:59980:29826,O=C(O)C1CCCCC1n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCN(Cc2ccncc2F)CCCOc2ccccc23)nn1,LGZZFYAXVYWJNR-GDRPIWAVSA-N
27237
+ rxn:1:60020:29859,N#CC1=CC(n2cc(C(=O)N3CC[C@@H]4C[C@H]3C(=O)NCCCN(Cc3ncccc3F)CCCOc3ccccc34)nn2)CC1,SJBOKBXRERDOSX-YNGRYLOTSA-N
27238
+ rxn:1:60020:6394,CC(C)(C)OC(=O)N1CCC(n2cc(-c3cn(C4C=C(C#N)CC4)nn3)cn2)CC1,XZPKIZFOROFPDJ-UHFFFAOYSA-N
27239
+ rxn:1:60294:32926,COC[C@H]1CCCN1C(=O)c1ccc(-c2cn(C3CCN(C(=O)Cc4cccc(C)c4)CC3)nn2)cc1Cl,FRXUNIWJMSWLNV-XMMPIXPASA-N
27240
+ rxn:1:60302:15669,N#Cc1ccccc1S(=O)(=O)N1CCCC1Cn1cc(-c2cn(C3CC3)nc2C2CCCCC2)nn1,DTYCDHSVFTVYAD-UHFFFAOYSA-N
27241
+ rxn:1:60305:4567,Cc1cc(F)ccc1S(=O)(=O)N1CCCC1Cn1cc(-c2cccc(NC(=O)C3CCCCCC3)c2)nn1,KSMQMJQOBMUPNF-UHFFFAOYSA-N
27242
+ rxn:1:60308:21170,CCC(c1ccc(F)cc1F)n1nc(C2CCCCC2)cc1-c1cn(C2CCN(C(=O)c3cccnc3OC)CC2)nn1,BCVHNFQSRKOPRU-UHFFFAOYSA-N
27243
+ rxn:1:60308:33796,COC(=O)[C@H]1CCCCN1C(=O)c1ccc(-c2cn(C3CCN(C(=O)c4cccnc4OC)CC3)nn2)cc1Cl,PHKCNLQMNOFCMR-XMMPIXPASA-N
27244
+ rxn:1:60331:14725,CC(C)(C1c2ccccc2OCC2=CNNN21)n1cc(-c2cc(F)cc(C(=O)N3CCOCC3)c2)nn1,RGGPFQIXIHCLDR-UHFFFAOYSA-N
27245
+ rxn:1:60364:23405,COc1ccc(Cl)cc1NC(=O)N1CCC(n2cc(-c3ccc(F)cc3OCC3CCCCC3)nn2)C1,VZRRTPDCCNANEY-UHFFFAOYSA-N
27246
+ rxn:1:60539:18056,COC(=O)c1ccc2[nH]c(C(F)(F)c3cccc(-n4cc(-c5c6c(nn5CC5CCCC5)CN(C(=O)OC)C6)nn4)c3)nc2c1,MMVKTBUZBVSJMG-UHFFFAOYSA-N
27247
+ rxn:1:60539:18059,COC(=O)c1ccc2[nH]c(C(F)(F)c3cccc(-n4cc(-c5c6c(nn5C5CCCSC5)CN(C(=O)OC)C6)nn4)c3)nc2c1,OUZQEYSPGXYFFE-UHFFFAOYSA-N
27248
+ rxn:1:60539:18110,COC(=O)c1ccc2[nH]c(C(F)(F)c3cccc(-n4cc(-c5c6c(nn5C5CCSCC5)CCN(C(=O)OC)C6)nn4)c3)nc2c1,SRKRFYVYJGJZLH-UHFFFAOYSA-N
27249
+ rxn:1:60559:25428,Cn1ccnc1SC(=N)C(F)(F)c1cccc(-n2cc(C3CC(=O)N(C4CCN(S(C)(=O)=O)CC4)C3)nn2)c1,HIMBWZACRMENCM-UHFFFAOYSA-N
27250
+ rxn:1:60573:17843,CC(C)C1C(=O)Nc2c(-c3cn(-c4cccc(C(F)(F)C(=N)Sc5nnc[nH]5)c4)nn3)cc(C(=O)C3CCCCC3)cc21,NALJRKPISQZLIY-UHFFFAOYSA-N
27251
+ rxn:1:60577:27313,N=C(SC1CCCC1)C(F)(F)c1cccc(-n2cc(C3CC(=O)N(c4cccc(S(=O)(=O)O)c4)C3)nn2)c1,HESFIEWCRLEUHT-UHFFFAOYSA-N
27252
+ rxn:1:60652:35310,Cc1ccc(NC(=O)C2CCCCCC2)cc1-c1cn(C2CCN(S(=O)(=O)Cc3ccccc3F)C2)nn1,MGPOXWRPCVLQOT-UHFFFAOYSA-N
27253
+ rxn:1:60942:17670,CC(C)Cc1cc(-c2cn(CC(=O)N3CCC(C)(CF)CC3)nn2)nn1C1CCOC1,DAYSCRSSZOEKDD-UHFFFAOYSA-N
27254
+ rxn:1:60972:11597,O=C(Cn1cc(CSc2nc3cc(C(=O)N4CC(O)C4)ccc3[nH]2)nn1)N1CC(CO)C(C(F)(F)F)C1,VDXIPYCYKGEXRG-UHFFFAOYSA-N
27255
+ rxn:1:60979:8503,CC(F)(F)C1CCCN(C(=O)Cn2cc(C(=O)N3CCOCC(Cc4cccn5nccc45)C3)nn2)C1,NFMRKGKUGSNRNG-UHFFFAOYSA-N
27256
+ rxn:1:61006:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC(=O)N4CC5CCC(F)(F)C5C4)nn3)nc2)CC1,SDPSAHWCMRQBQE-UHFFFAOYSA-N
27257
+ rxn:1:61021:29986,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC(=O)N3CC4CCCC(F)(F)C4C3)nn2)c2ccccc2OCC1,UQIXBNZGHLPURF-QXAQLEHZSA-N
27258
+ rxn:1:61021:30023,CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC(=O)N3CC4CCCC(F)(F)C4C3)nn2)c2ccccc2OCCC1,LIYODYKLXZLQAH-PWEXBRHQSA-N
27259
+ rxn:1:61033:12589,CC(=O)N=c1sc2cc(Br)ccc2n1Cc1cn(CC(=O)N2CCN(C3CCCC3)CC2)nn1,QMECAKFNGOCWDF-UHFFFAOYSA-N
27260
+ rxn:1:61053:7888,O=C(Nc1nc2ccc(C(=O)N3CCOCC3)cc2s1)c1cn(CC(=O)N2CC(CF)C2)nn1,ONAGTZYGLPCERG-UHFFFAOYSA-N
27261
+ rxn:1:61093:33976,CCN1CCC(C(=O)Nc2ccc(-c3cn(CC(=O)N4CCCC(C(F)(F)F)C4)nn3)nc2)CC1,OYEPRSZQYGFSLC-UHFFFAOYSA-N
27262
+ rxn:1:61104:9460,O=C(O)C1CSC(c2cc(Br)ccc2OCc2cn(CC(=O)N3CCC(CF)C3)nn2)N1,IVOUYTHUAZKBBP-UHFFFAOYSA-N
27263
+ rxn:1:61106:7888,O=C(Nc1nc2ccc(C(=O)N3CCOCC3)cc2s1)c1cn(CC(=O)N2CCCC(CF)C2)nn1,LCRUJSNGIMUEQO-UHFFFAOYSA-N
27264
+ rxn:1:61118:30264,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC(=O)N3CCCC(F)(F)C3)nn2)c2cc(C3CC3)ccc2OCC1,LIZDAYOAASBIMA-RPLLCQBOSA-N
27265
+ rxn:1:61129:23188,CCC(CC)C(=O)N1CC(n2cc(CC3(C#N)CC(F)(F)C3)nn2)C1,ZYEAIBJWUKHYLW-UHFFFAOYSA-N
27266
+ rxn:1:61255:38096,COC(=O)c1ccc2[nH]c(C(F)(F)c3cccc(-c4cn(C5CN(C6CCC(C(C)(C)C)CC6)C5)nn4)c3)nc2c1,QGDQTYWZHFHOSO-UHFFFAOYSA-N
27267
+ rxn:1:61255:38097,COC(=O)c1ccc2[nH]c(C(F)(F)c3ccc(-c4cn(C5CN(C6CCC(C(C)(C)C)CC6)C5)nn4)cc3)nc2c1,QHTFPMWGXZWZAX-UHFFFAOYSA-N
27268
+ rxn:1:61291:4763,COCCCN1CC(n2cc(CSc3nc(Cl)c4c(n3)SC3CN(C(=O)c5ccccc5)CCC43)nn2)C1,HKCHAQWWNZXVFA-UHFFFAOYSA-N
27269
+ rxn:1:61365:39200,O=C(CN1CC(n2cc(COC(=O)c3cc(Br)c4[nH]c(-c5ccccc5Cl)nc4c3)nn2)C1)NC1CCCCC1,ICZAZCCVYBZBNJ-UHFFFAOYSA-N
27270
+ rxn:1:61449:35532,CCN1CCC(C(=O)Nc2ncc(Br)cc2-c2cn(Cc3ccc(C(=O)N(C)C4CCCCC4)s3)nn2)CC1,UTKBDAQEUOESDI-UHFFFAOYSA-N
27271
+ rxn:1:61525:8356,COC(=O)/C(=C/c1ccc(OC)c(F)c1)n1cc(C(=O)N2CCOCC(Cc3ccnc(C)n3)C2)nn1,QWZYXVVABXOKSO-UUYOSTAYSA-N
27272
+ rxn:1:61541:29896,O=C(O)c1ccc(-n2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(Cc3cncc(F)c3)CCOc3ccccc34)nn2)nc1,XIZSVXHYHAGTLR-WXVAWEFUSA-N
27273
+ rxn:1:6161:58729,CCC1CCC(N(C)CCn2cc(-c3cc(OS(=O)(=O)F)cc(C(=O)O)c3)nn2)CC1,KXHMLBBFJZXNFK-UHFFFAOYSA-N
27274
+ rxn:1:61813:23315,CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2(O)c1cn(-c2ncc(Br)cc2Cl)nn1,NTJJNWUWJSPKMN-UHFFFAOYSA-N
27275
+ rxn:1:61876:29901,CN1CC2(CCCN(Cc3cccnc3)CCCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3OCCNCC3(F)F)nn1)CC2,YDLVULIWUWTHQK-UHFFFAOYSA-N
27276
+ rxn:1:61876:29911,CN1CC2(CCCN(Cc3cnc4ccccn34)CCn3cc(cn3)C1=O)CCN(C(=O)c1cn(CC3OCCNCC3(F)F)nn1)CC2,JRCNYENYMITFNC-UHFFFAOYSA-N
27277
+ rxn:1:61876:29986,CC(=O)N1CCCNC(=O)[C@H]2C[C@H](CCN2C(=O)c2cn(CC3OCCNCC3(F)F)nn2)c2ccccc2OCC1,TZSVUMUXFJOYHZ-DFVYYXEXSA-N
27278
+ rxn:1:61876:30017,Cc1ocnc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H](CCN2C(=O)c2cn(CC3OCCNCC3(F)F)nn2)c2ccccc2OCCC1,YJPXWEUVDOKNLK-VHHDRZGZSA-N
27279
+ rxn:1:61876:30078,Cc1ocnc1C(=O)N1CCCOc2ccccc2[C@@H]2C[C@@H](CN(C(=O)c3cn(CC4OCCNCC4(F)F)nn3)C2)C(=O)NCC1,UGDGPPQWACXNQA-SGNGHUOJSA-N
27280
+ rxn:1:61876:30079,O=C1NCCN(C(=O)C2CCC2)CCCOc2ccccc2[C@@H]2C[C@H]1CN(C(=O)c1cn(CC3OCCNCC3(F)F)nn1)C2,AAIXWBHUVOBNRE-ASPAYWPZSA-N
27281
+ rxn:1:61876:30157,O=C1NCCCN(C(=O)C2CCC2)CCCOc2ccccc2[C@H]2C[C@@H]1CN(C(=O)c1cn(CC3OCCNCC3(F)F)nn1)C2,JTVUJLDGUFKQCA-BIUYVPHKSA-N
27282
+ rxn:1:61876:30415,CC(C)C(=O)N1CCCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(CC3OCCNCC3(F)F)nn1)CC2,XKJWWVQWMFGVTN-UHFFFAOYSA-N
27283
+ rxn:1:61876:7888,O=C(Nc1nc2ccc(C(=O)N3CCOCC3)cc2s1)c1cn(CC2OCCNCC2(F)F)nn1,ZMYSPBDAXBKFLZ-UHFFFAOYSA-N
27284
+ rxn:1:61995:7267,O=S(=O)(OCCc1cn(C2C3CC4CC(C3)CC2C4)nn1)C(F)(F)F,XRBGCULNZXYHSR-UHFFFAOYSA-N
27285
+ rxn:1:62052:12648,N=c1c2nc(-n3cc(-c4ccc(C(=O)Nc5ccncc5I)cc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,CMSNKVDBFCHADU-UHFFFAOYSA-N
27286
+ rxn:1:62052:12695,Cc1cc(NC(=O)c2ccc(-c3cn(-c4nc5c(=N)n6cnc5n4C4OC(COP(=O)(O)OP(=O)(O)OCC5OC6C(O)C5O)C(O)C4O)nn3)cc2)ncc1Cl,XTKGWIKOIBQYSZ-UHFFFAOYSA-N
27287
+ rxn:1:62052:13724,N=c1c2nc(-n3cc(-c4ccc(C(=O)OCc5ccc(F)cc5Br)cc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,NQYUPPUBDPHIOS-UHFFFAOYSA-N
27288
+ rxn:1:62052:2516,CS(=O)(=O)c1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,NJFLXNJEPHYJCH-UHFFFAOYSA-N
27289
+ rxn:1:62052:29718,N=c1c2nc(-n3cc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,CAOXLSASWCMWSP-UHFFFAOYSA-N
27290
+ rxn:1:62052:32014,CC(C)(C)c1cc(B(O)O)cc(-c2cn(-c3nc4c(=N)n5cnc4n3C3OC(COP(=O)(O)OP(=O)(O)OCC4OC5C(O)C4O)C(O)C3O)nn2)c1,YZKKEZGQAFKFLZ-UHFFFAOYSA-N
27291
+ rxn:1:62052:34432,CC(NC(=O)c1ccc(B(O)O)cn1)c1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,QWOSGPNWRZNZEY-UHFFFAOYSA-N
27292
+ rxn:1:62052:34891,CC(NC(=O)c1ccc(Cl)cc1B(O)O)c1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,BMQKXADAOTYWKH-UHFFFAOYSA-N
27293
+ rxn:1:62052:36267,COC(=O)c1ccc(-c2ccc(-c3cn(-c4nc5c(=N)n6cnc5n4C4OC(COP(=O)(O)OP(=O)(O)OCC5OC6C(O)C5O)C(O)C4O)nn3)cc2)n1C,ALAASHSEKVBWBQ-UHFFFAOYSA-N
27294
+ rxn:1:62052:38980,N=c1c2nc(-n3cc(-c4ccccc4Br)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,GMGFXEPYPMBJNO-UHFFFAOYSA-N
27295
+ rxn:1:62052:39000,C[Si](C)(C)OC(=O)c1cn(-c2nc3c(=N)n4cnc3n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC4C(O)C3O)C(O)C2O)nn1,KLFWERJJKRMBGF-UHFFFAOYSA-N
27296
+ rxn:1:62052:9574,N=c1c2nc(-n3cc(-c4cccc(NC(=O)c5c[nH]c6c(I)cccc6c5=O)c4)nn3)n3c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3C(O)C2O)C(O)C1O,VKLFDYOFGKVHCC-UHFFFAOYSA-N
27297
+ rxn:1:62135:8356,COC(=O)C(=Cc1ccc(OC)c(F)c1)n1cc(C(=O)N2CCOCC(Cc3ccnc(C)n3)C2)nn1,QWZYXVVABXOKSO-UHFFFAOYSA-N
27298
+ rxn:1:62271:15283,O=c1cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)n(-c2cc(Br)ccn2)[nH]1,SJWMHJYDPBKVEA-UHFFFAOYSA-N
27299
+ rxn:1:62271:29195,COc1ccc(-c2ccccc2Cl)c(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,TZPLJHNYTSIFKC-UHFFFAOYSA-N
27300
+ rxn:1:62271:31686,COC(=O)c1cc(F)c(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)cc1N,PYCKXBVOWZSOHP-UHFFFAOYSA-N
27301
+ rxn:1:62271:34075,O=C(Nc1cccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1)c1cc(Br)ccc1Br,LGHLPYPAMAPDPT-UHFFFAOYSA-N
27302
+ rxn:1:62271:34441,Cc1c(Cl)cccc1C(=O)NCc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,UATIKHUHSFBILI-UHFFFAOYSA-N
27303
+ rxn:1:62271:36352,Cc1c(F)ccc(F)c1-c1cccc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,KQEFFNXRIIEPLQ-UHFFFAOYSA-N
27304
+ rxn:1:62271:37768,O=C(Oc1ccccc1)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,TVBXKJRFPGFZQM-UHFFFAOYSA-N
27305
+ rxn:1:62271:37884,O=[N+]([O-])c1cc(F)c(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c(F)c1,PZSNOPLCSYQFFA-UHFFFAOYSA-N
27306
+ rxn:1:62271:39096,O=C(O)c1ccc(F)cc1-c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,JQBAQNQZSQXGSJ-UHFFFAOYSA-N
27307
+ rxn:1:62271:39430,NC(c1ccc(Br)cc1)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,CAQQZVPWZYVZMJ-UHFFFAOYSA-N
27308
+ rxn:1:62271:7290,O=C(O)c1cc(F)cc(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,CBWVIJPEEXZMDQ-UHFFFAOYSA-N
27309
+ rxn:1:62271:7626,N#Cc1ccc(F)c(-c2cn(-c3nc4c5ncnc4n3C3OC(COP(=O)(OP(=O)(O)O)OCC4OC(N5)C(O)C4O)C(O)C3O)nn2)c1,OQYVUUGHZJBSJR-UHFFFAOYSA-N
27310
+ rxn:1:62271:7950,O=C(Nc1cc(-c2ccccc2F)n[nH]1)c1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1,YUWGFNHBQPQSJC-UHFFFAOYSA-N
27311
+ rxn:1:62271:9993,O=C(NCc1cn(-c2nc3c4ncnc3n2C2OC(COP(=O)(OP(=O)(O)O)OCC3OC(N4)C(O)C3O)C(O)C2O)nn1)c1cc(=O)c2cc(F)cc(F)c2[nH]1,NVECJFQFHLWNCK-UHFFFAOYSA-N
27312
+ rxn:1:62297:5747,CC(C)CC(Oc1ccc(I)cc1)c1cn(C2CC(n3ccc(=O)[nH]c3=O)OC2COP(=O)(O)O)nn1,XTZZSLQJXRVUKS-UHFFFAOYSA-N
27313
+ rxn:1:62396:29067,COC(=O)[C@H]1C[C@@H](n2cc(-c3ccc(C=C(F)B4OC(C)(C)C(C)(C)O4)nc3)nn2)C1,MTMZRTYZJUETOU-FZNQNYSPSA-N
27314
+ rxn:1:62573:29884,O=C(O)c1c(Br)cccc1-n1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ncccn2)CCOc2ccccc23)nn1,QPSYUCRNXYIYSB-HFZDXXHNSA-N
27315
+ rxn:1:63181:17708,COC(=O)c1ccnc(N2CC(Cn3cc(-c4cc(CC5CCCC5)n(CCF)n4)nn3)CC2=O)c1,XDTQPQFOKFGSMW-UHFFFAOYSA-N
27316
+ rxn:1:63933:30261,Cn1nccc1N1CC(Cn2cc(C(=O)N3CC[C@H]4C[C@@H]3C(=O)NCCCN(C(=O)C3CC(F)(F)C3)CCOc3ccccc34)nn2)CC1=O,ZSPPLPGVSRHNCL-ROHDMLMOSA-N
27317
+ rxn:1:64344:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5cnc(Cl)cc5Cl)C4)nn3)nc2)CC1,ZCAPYKXDNJMMFN-YIQCUVMYSA-N
27318
+ rxn:1:64356:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5c(Cl)cncc5Cl)C4)nn3)nc2)CC1,KMGYDYPQEDHJAN-YIQCUVMYSA-N
27319
+ rxn:1:64426:5252,CCN1CCCC(C(C)Nc2cccc(-c3cn(CC4CC(=O)N(c5ncc(Br)cc5O)C4)nn3)c2)C1,GRDFMCWEELHXIW-UHFFFAOYSA-N
27320
+ rxn:1:64427:5252,CCN1CCCC(C(C)Nc2cccc(-c3cn(CC4CC(=O)N(c5ncc(Cl)cc5O)C4)nn3)c2)C1,GVIYPOHCSUZHKI-UHFFFAOYSA-N
27321
+ rxn:1:64653:33319,Cc1ccc(C(=O)N2CC(N3CC(N(C)C)C3)C2)cc1-c1cn(CC2CC(=O)N(c3ccc4c(Br)n[nH]c4c3)C2)nn1,GSJHFMRUXONACI-UHFFFAOYSA-N
27322
+ rxn:1:64822:5252,CCN1CCCC(C(C)Nc2cccc(-c3cn(CC4CC(=O)N(c5ccc(F)cc5O)C4)nn3)c2)C1,KAZUSAAGCBYEMG-UHFFFAOYSA-N
27323
+ rxn:1:65117:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5cc(Br)cnc5F)C4)nn3)nc2)CC1,PXRSEMQFACWSHO-YIQCUVMYSA-N
27324
+ rxn:1:65174:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5cc(Cl)cnc5Cl)C4)nn3)nc2)CC1,RAZIWVNCKMWYFZ-YIQCUVMYSA-N
27325
+ rxn:1:65207:6161,O=C(O)c1cc(OS(=O)(=O)F)cc(-c2cn(CC3CC(=O)N(c4cc(N5CCOCC5)ncn4)C3)nn2)c1,HZZMBKIFQIENTP-UHFFFAOYSA-N
27326
+ rxn:1:65320:5252,CCN1CCCC(C(C)Nc2cccc(-c3cn(CC4CC(=O)N(c5cccc(F)c5O)C4)nn3)c2)C1,MGKGQINCYCVCRD-UHFFFAOYSA-N
27327
+ rxn:1:65362:33772,CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cn(CC4CC(=O)N(c5cccnc5Br)C4)nn3)nc2)CC1,YBHPANRFTMQZKC-JUUMZCOKSA-N
27328
+ rxn:1:65649:29889,O=C(O)Cn1cc(C(=O)N2CC[C@H]3C[C@@H]2C(=O)NCCCN(Cc2ccncc2F)CCOc2ccccc23)nn1,ZXBYUHAPSDAWAT-YADARESESA-N
27329
+ rxn:1:7267:62167,O=S(=O)(OCCc1cn(C2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)nn1)C(F)(F)F,XRBGCULNZXYHSR-QKYIQAADSA-N
27330
+ rxn:1:771:59833,O=S(=O)(NC12CC3CC(CC(C3)C1)C2)n1cc(CCC2(CCI)N=N2)nn1,OLBAWXBOTYKDQU-UHFFFAOYSA-N
27331
+ rxn:1:7771:49340,CC(C)(C)OC(=O)N1CCCN([C@@H]2COC[C@@H]2n2cc(-c3c[nH]c4c(Br)cccc34)nn2)CC1,UWMBBXHYTRZDBX-RTWAWAEBSA-N
27332
+ rxn:1:7990:59596,CC1(C)OB(C(F)=C2COCC2n2cc(C(=O)N3CCC(c4nc(-c5cccnc5)n[nH]4)CC3)nn2)OC1(C)C,VLXWVVOPPFSSLI-UHFFFAOYSA-N
27333
+ rxn:1:7991:59596,CC1(C)OB(C(F)=C2COCC2n2cc(C(=O)N3CCC(c4nc(-c5ccncc5)n[nH]4)CC3)nn2)OC1(C)C,LVGHCSUHDGNZPD-UHFFFAOYSA-N
27334
+ rxn:1:820:49710,CC(C)(C)OC(=O)NC1(c2cn(CC3C(c4c[nH]nc4C#N)C3(F)F)nn2)COC1,TYMRNFUJZFKVTQ-UHFFFAOYSA-N
27335
+ rxn:1:8503:59596,CC1(C)OB(C(F)=C2COCC2n2cc(C(=O)N3CCOCC(Cc4cccn5nccc45)C3)nn2)OC1(C)C,GPULLDNBNJWLNV-UHFFFAOYSA-N
27336
+ rxn:1:9423:58802,CC1(C)CC(NC(=O)OCc2cn(CCCCc3ccnc(Br)c3)nn2)CC(C)(C)N1,PCHNDCSFPXSSBB-UHFFFAOYSA-N