Added 105 molecules from epoch 17565 for Q92769
Browse files- Q92769_molecules.csv +105 -0
Q92769_molecules.csv
CHANGED
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@@ -29124,3 +29124,108 @@ rxn:2:93394:144768,CN(CC1CCCC1NC(c1ccc(-c2ccc(C3CC3)nc2)cc1)c1ncc[nH]1)C1CCS(=O)
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| 29124 |
rxn:2:93993:146538,COc1ccc(C(Nc2nccc(N(C)[C@@H]3CCCC[C@H]3F)n2)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,LUOYDDJUZMCIHG-HDOOXHBUSA-N
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| 29125 |
rxn:2:95216:152317,CCC(NC(C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2)c1ccc(N2CCCCCC2)nc1,ZUUTWJLCXMKDKY-UHFFFAOYSA-N
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| 29126 |
rxn:2:96530:146153,COc1ccc(-c2ccc(C(CN3CCCC3)NCCC3CCN(C4CCS(=O)(=O)C4)C3)cc2)cc1,KCMDHYZXDXSZDQ-UHFFFAOYSA-N
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| 29124 |
rxn:2:93993:146538,COc1ccc(C(Nc2nccc(N(C)[C@@H]3CCCC[C@H]3F)n2)c2c[nH]c(C(=O)N=CN(C)C)c2)cc1,LUOYDDJUZMCIHG-HDOOXHBUSA-N
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| 29125 |
rxn:2:95216:152317,CCC(NC(C)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2)c1ccc(N2CCCCCC2)nc1,ZUUTWJLCXMKDKY-UHFFFAOYSA-N
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| 29126 |
rxn:2:96530:146153,COc1ccc(-c2ccc(C(CN3CCCC3)NCCC3CCN(C4CCS(=O)(=O)C4)C3)cc2)cc1,KCMDHYZXDXSZDQ-UHFFFAOYSA-N
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| 29127 |
+
rxn:3:1032:49937:95472,CN1CCN(CCc2cn(CC3C(c4cn[nH]c4C(=O)Nc4cccc(OB=O)c4)C3(F)F)nn2)CC1,HJYIARNOGIJNIS-UHFFFAOYSA-N
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| 29128 |
+
rxn:3:11519:49499:84943,C=C(C)C[N+](C)(C)Cc1cn(C[C@H]2C[C@H](C(=O)NCC3C(F)(F)C34CC4)C2)nn1,GELRPBDTEKRPTE-IBOPQAGSSA-O
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| 29129 |
+
rxn:3:12213:60582:129199,C=CC[C@H](C(=O)NCC(C)C1CCO1)n1cc([C@@H]2CN(C)C[C@H]2F)nn1,XYCBAJKPCOPSJO-YVLDQAHJSA-N
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| 29130 |
+
rxn:3:12213:60582:134352,C=CC[C@H](C(=O)NC(CC)C1CCO1)n1cc([C@@H]2CN(C)C[C@H]2F)nn1,QKIVRXGSVHFWGH-KPOGKTLVSA-N
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| 29131 |
+
rxn:3:12213:60582:156104,C=CC[C@H](C(=O)Nc1ccc2c(c1)C1(CCCO1)CS2(=O)=O)n1cc([C@@H]2CN(C)C[C@H]2F)nn1,SUHOZKFAIWRKGR-QNYJTYEESA-N
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| 29132 |
+
rxn:3:12213:60582:81884,C=CC[C@H](C(=O)NC(C)C1CCCO1)n1cc([C@@H]2CN(C)C[C@H]2F)nn1,OOHCNWPKNDZZAC-YVLDQAHJSA-N
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| 29133 |
+
rxn:3:12214:40441:100576,CCN1C[C@@H](F)[C@H](c2cn(CC=Cc3cnc(C(=O)Nc4cc(OC)cc(OC(C)C)c4)nc3)nn2)C1,BAPHZYZRIPEPOJ-DHIUTWEWSA-N
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| 29134 |
+
rxn:3:127:56510:111610,COc1cc(C2CC2Cn2cc(-c3ccc4nncn4n3)nn2)ccc1C(=O)NC1(COS(=O)(=O)[O-])CCCC1,LEURDFKUYJEOPH-UHFFFAOYSA-M
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| 29135 |
+
rxn:3:127:56514:111610,COc1cccc(C2CC2Cn2cc(-c3ccc4nncn4n3)nn2)c1C(=O)NC1(COS(=O)(=O)[O-])CCCC1,FDHWVRYSVQGCPN-UHFFFAOYSA-M
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| 29136 |
+
rxn:3:16780:42926:120574,Cc1c(-c2cn(-c3ccc(-c4ccc(C(=O)NC56CCCC5CS(=O)(=O)C6)o4)cc3)nn2)cnn1C1CCCSC1,JUHHJAXVOIACSV-UHFFFAOYSA-N
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| 29137 |
+
rxn:3:16806:60637:84943,CCc1c(-c2cn(-c3ccc(OC)c(C(=O)NCC4C(F)(F)C45CC5)c3)nn2)cnn1CCN(C)C,BQDRNIPOHUEWMO-UHFFFAOYSA-N
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| 29138 |
+
rxn:3:16821:61523:136751,CC(C)c1c(-c2cn(C3(C(=O)NCc4ccsc4S(=O)(=O)C4CC4)CCC3)nn2)cnn1C1CCCC1,XTBYUYKRBICYIA-UHFFFAOYSA-N
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| 29139 |
+
rxn:3:16823:40071:98601,CC(C)c1c(-c2cn(-c3cccc(C(=O)NCCS(=O)(=O)C4CC4)c3)nn2)cnn1C1CCCCC1,WPRBVHSFPDPYNR-UHFFFAOYSA-N
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| 29140 |
+
rxn:3:16875:46343:121443,CCn1ncc(-c2cn(CCC=Cc3nccc(C(=O)NOS(C)(=O)=O)c3F)nn2)c1C1CCCC1,WBKJNIAFWMHGLP-UHFFFAOYSA-N
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| 29141 |
+
rxn:3:16875:64961:81931,CCn1ncc(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NCc5ccc(S(=O)(=O)F)s5)cn4)C3)nn2)c1C1CCCC1,NINRZUMSBAESED-UHFFFAOYSA-N
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| 29142 |
+
rxn:3:16977:64961:81931,CCn1ncc(-c2cn(CC3CC(=O)N(c4ncc(C(=O)NCc5ccc(S(=O)(=O)F)s5)cn4)C3)nn2)c1C1CCCCC1,IMCWFVJSTHIXNM-UHFFFAOYSA-N
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| 29143 |
+
rxn:3:17893:61523:106334,CC(C)Cc1ccnc(-n2nccc2-c2cn(C3(C(=O)NCC4COCCS4(=O)=O)CCC3)nn2)c1,SCFMNYWCTWLZFI-UHFFFAOYSA-N
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| 29144 |
+
rxn:3:18495:60582:105874,C=CC[C@H](C(=O)NC1CC(C)CC(C)C1F)n1cc(-c2nn(C3CC3)cc2C)nn1,QYMWTKXTNYPHQO-DQSOZNIESA-N
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| 29145 |
+
rxn:3:18555:60582:110162,C=CC[C@H](C(=O)NC1C(C)CCC1F)n1cc(-c2nn(C(C)C)cc2C2CC2)nn1,AXHMEWYKEALAHR-ALEWSVLGSA-N
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| 29146 |
+
rxn:3:18814:64740:114260,CC(C1CCCCC1)n1nccc1-c1cn(CC2CC(=O)N(c3ccc(C(=O)Nc4ccc(S(=O)(=O)F)cc4)nn3)C2)nn1,VSGISCZZZPTOCI-UHFFFAOYSA-N
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| 29147 |
+
rxn:3:18814:64740:82252,CC(C1CCCCC1)n1nccc1-c1cn(CC2CC(=O)N(c3ccc(C(=O)Nc4ccccc4S(=O)(=O)F)nn3)C2)nn1,WPWYLDFOIBEQHS-UHFFFAOYSA-N
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| 29148 |
+
rxn:3:1887:49127:75953,CCOC(Cn1cc(-c2cncc3nccn23)nn1)C(=O)NCC1(S(=O)(=O)CC)CCOCC1,DPZMYRCFGKUXJU-UHFFFAOYSA-N
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| 29149 |
+
rxn:3:1887:56493:111610,COc1ccc(C2CC2Cn2cc(-c3cncc4nccn34)nn2)cc1C(=O)NC1(COS(=O)(=O)[O-])CCCC1,NDTOIHZMWRBPOL-UHFFFAOYSA-M
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| 29150 |
+
rxn:3:1887:56509:86265,COc1cc(C(=O)NCC2(OC)CCCS(=O)(=O)C2)cc(C2CC2Cn2cc(-c3cncc4nccn34)nn2)c1,BFYQCSPYPGGMJH-UHFFFAOYSA-N
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| 29151 |
+
rxn:3:1887:56510:111610,COc1cc(C2CC2Cn2cc(-c3cncc4nccn34)nn2)ccc1C(=O)NC1(COS(=O)(=O)[O-])CCCC1,WXWPHSLYDJCJLR-UHFFFAOYSA-M
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| 29152 |
+
rxn:3:1890:62824:92547,CSc1nccc(-c2cn(CC3CC(=O)N([C@@H](C(=O)Nc4ccc(OS(=O)(=O)F)cc4)C4=CCC=CC4)C3)nn2)n1,OHRVUTHWUZTLLU-FZYLFJGDSA-N
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| 29153 |
+
rxn:3:1890:62829:81931,CSc1nccc(-c2cn(CC3CC(=O)N([C@H](C(=O)NCc4ccc(S(=O)(=O)F)s4)C4CCCCC4)C3)nn2)n1,GOVNBLGPMCRZMH-KESSSICBSA-N
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| 29154 |
+
rxn:3:1890:64902:95622,CSc1nccc(-c2cn(CC3CC(=O)N(c4ccncc4C(=O)NOC4CCS(=O)(=O)C4)C3)nn2)n1,AMJBDFVSFHBQLA-UHFFFAOYSA-N
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| 29155 |
+
rxn:3:1890:64921:95622,CSc1nccc(-c2cn(CC3CC(=O)N(c4cnccc4C(=O)NOC4CCS(=O)(=O)C4)C3)nn2)n1,RUAPSONJQMBMRJ-UHFFFAOYSA-N
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| 29156 |
+
rxn:3:1890:64994:95622,CSc1nccc(-c2cn(CC3CC(=O)N(c4ncccc4C(=O)NOC4CCS(=O)(=O)C4)C3)nn2)n1,HSFAXFJQNNZLTB-UHFFFAOYSA-N
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| 29157 |
+
rxn:3:1911:60054:126814,C=CCN(C)Cc1cn(CC23CC(C(=O)N[C@H]4C[C@@H](F)C4)(C2)C3)nn1,FQSGSWAAOZXRCO-MWABVPJASA-N
|
| 29158 |
+
rxn:3:1911:60054:71646,C=CCN(C)Cc1cn(CC23CC(C(=O)N[C@H]4C[C@H](F)C4)(C2)C3)nn1,FQSGSWAAOZXRCO-DZQYTSFXSA-N
|
| 29159 |
+
rxn:3:1911:62479:83031,C=CCN(C)Cc1cn(C(C(=O)NC2C(F)(F)C23CCC3)C(C)C)nn1,IOJGCBBGCCOZAN-UHFFFAOYSA-N
|
| 29160 |
+
rxn:3:23143:43044:92456,CCN1CC(c2cn(CC#Cc3nccc(C(=O)NCC(OC)c4ccc5c(c4)OCO5)c3F)nn2)C1,UIEVPHHUDLACBR-UHFFFAOYSA-N
|
| 29161 |
+
rxn:3:23143:43417:84946,CCN1CC(c2cn(C3C=CCC(C(=O)NCc4ccc(OS(=O)(=O)F)cc4)C3)nn2)C1,KAGOGIDXZALMFS-UHFFFAOYSA-N
|
| 29162 |
+
rxn:3:23143:44053:131256,CCN1CC(c2cn(CCC#Cc3ccc(C(=O)NCC4CC(F)(COC)C4)o3)nn2)C1,QYGXVYSNNQUSCS-UHFFFAOYSA-N
|
| 29163 |
+
rxn:3:23150:42926:111610,CN1CC(Cc2cn(-c3ccc(-c4ccc(C(=O)NC5(COS(=O)(=O)[O-])CCCC5)o4)cc3)nn2)C1,AAKKAFZTCGKSLV-UHFFFAOYSA-M
|
| 29164 |
+
rxn:3:23150:43417:84946,CN1CC(Cc2cn(C3C=CCC(C(=O)NCc4ccc(OS(=O)(=O)F)cc4)C3)nn2)C1,JRJFCMPXKOAVAG-UHFFFAOYSA-N
|
| 29165 |
+
rxn:3:23150:60054:129999,CN1CC(Cc2cn(CC34CC(C(=O)Nc5ccccc5OS(=O)(=O)F)(C3)C4)nn2)C1,BQHSCSBXPMLACT-UHFFFAOYSA-N
|
| 29166 |
+
rxn:3:23348:44053:131256,CCC(C)c1cn(CCC#Cc2ccc(C(=O)NCC3CC(F)(COC)C3)o2)nn1,FQWQPIPEUFLODZ-UHFFFAOYSA-N
|
| 29167 |
+
rxn:3:24161:42926:111610,CN(C)C1CCC(c2cn(-c3ccc(-c4ccc(C(=O)NC5(COS(=O)(=O)[O-])CCCC5)o4)cc3)nn2)CC1,BKBXIQKKFOPHFV-UHFFFAOYSA-M
|
| 29168 |
+
rxn:3:27797:59852:106561,Cc1cc(S(=O)(=O)F)ccc1NC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cccc5nccnc45)nn3)C2)CCO1,ZTEJZAFQXINXNV-FUHTXCSMSA-N
|
| 29169 |
+
rxn:3:27942:47746:118868,CN(C)c1ccncc1-c1cn(-c2c(F)cc3c(=O)c(C(=O)NC4C5CCCCCC54)cn(C4CC4)c3c2F)nn1,MXYKGCHCZSYABT-UHFFFAOYSA-N
|
| 29170 |
+
rxn:3:27942:47746:73487,CN(C)c1ccncc1-c1cn(-c2c(F)cc3c(=O)c(C(=O)NC4CC([Si](C)(C)C)C4)cn(C4CC4)c3c2F)nn1,MYYLGLHTGCMIJD-UHFFFAOYSA-N
|
| 29171 |
+
rxn:3:28204:43417:151955,C=C1CN2CCCC2(c2cn(C3C=CCC(C(=O)Nc4ccc5ccc(OS(=O)(=O)F)cc5c4)C3)nn2)C1,QTOVAUJUCABKJA-UHFFFAOYSA-N
|
| 29172 |
+
rxn:3:28204:43417:158384,C=C1CN2CCCC2(c2cn(C3C=CCC(C(=O)Nc4ccc5cc(OS(=O)(=O)F)ccc5c4)C3)nn2)C1,QNXQSMPFULKCTJ-UHFFFAOYSA-N
|
| 29173 |
+
rxn:3:31348:55878:111610,N#Cc1cnc(-c2cn(CC3CC3c3ccc(C(=O)NC4(COS(=O)(=O)[O-])CCCC4)nc3)nn2)nc1,IQFWASWLMPMMSD-UHFFFAOYSA-M
|
| 29174 |
+
rxn:3:31348:55885:111610,N#Cc1cnc(-c2cn(CC3CC3c3ncccc3C(=O)NC3(COS(=O)(=O)[O-])CCCC3)nn2)nc1,WGULVDWXQLVDNG-UHFFFAOYSA-M
|
| 29175 |
+
rxn:3:31348:55887:111610,N#Cc1cnc(-c2cn(CC3CC3c3ccnc(C(=O)NC4(COS(=O)(=O)[O-])CCCC4)c3)nn2)nc1,BJJGIDWYKWSAQK-UHFFFAOYSA-M
|
| 29176 |
+
rxn:3:31348:55888:111610,N#Cc1cnc(-c2cn(CC3CC3c3cnccc3C(=O)NC3(COS(=O)(=O)[O-])CCCC3)nn2)nc1,VEOZUMUMVZTMPY-UHFFFAOYSA-M
|
| 29177 |
+
rxn:3:3295:55877:86265,CCn1cnc(-c2cn(CC3CC3c3cncc(C(=O)NCC4(OC)CCCS(=O)(=O)C4)c3)nn2)c1,DJWUWOWWWPQDQM-UHFFFAOYSA-N
|
| 29178 |
+
rxn:3:3295:55888:86265,CCn1cnc(-c2cn(CC3CC3c3cnccc3C(=O)NCC3(OC)CCCS(=O)(=O)C3)nn2)c1,RZEQOEZQMMIMNS-UHFFFAOYSA-N
|
| 29179 |
+
rxn:3:34488:55883:111610,CCn1nccc1-c1cn(CC2CC2c2cccc(C(=O)NC3(COS(=O)(=O)[O-])CCCC3)n2)nn1,PUXACNIWJRCKGV-UHFFFAOYSA-M
|
| 29180 |
+
rxn:3:37650:59990:71118,C[C@H](CC(=O)NCC1(S(C)(=O)=O)CCOCC1)n1cc(CCSc2ncc3nccnc3n2)nn1,PFRLFKJELWGVHG-OAHLLOKOSA-N
|
| 29181 |
+
rxn:3:37853:60580:105737,C=CC[C@@H](C(=O)NC1CCCCCCC1(F)F)n1cc(-c2ccc(N(C)C)s2)nn1,OQONFXLLWYNZMK-ATNAJCNCSA-N
|
| 29182 |
+
rxn:3:37853:60580:82060,C=CC[C@@H](C(=O)NOC1CCCC(F)(F)CC1)n1cc(-c2ccc(N(C)C)s2)nn1,LAHPJSHBWXUQGV-WMCAAGNKSA-N
|
| 29183 |
+
rxn:3:37853:60582:105737,C=CC[C@H](C(=O)NC1CCCCCCC1(F)F)n1cc(-c2ccc(N(C)C)s2)nn1,OQONFXLLWYNZMK-PYUWXLGESA-N
|
| 29184 |
+
rxn:3:37853:60582:92648,C=CC[C@H](C(=O)NCC1(COC)CCCCO1)n1cc(-c2ccc(N(C)C)s2)nn1,AIHTWFAUINUPHQ-OQHSHRKDSA-N
|
| 29185 |
+
rxn:3:37866:60580:82209,C=CC[C@@H](C(=O)NC1CCC(c2ccc(OC)c(C)c2OC)CC1)n1cc(-c2ccc(F)nc2F)nn1,DQBMCQKIGHZMGR-IRZJEQJZSA-N
|
| 29186 |
+
rxn:3:38642:64961:81931,CC1(c2cn(CC3CC(=O)N(c4ncc(C(=O)NCc5ccc(S(=O)(=O)F)s5)cn4)C3)nn2)CCCCC1,SJYDFBBIAUWDEY-UHFFFAOYSA-N
|
| 29187 |
+
rxn:3:39281:49499:76797,CC(C)OC1(CNC(=O)[C@H]2C[C@H](Cn3cc(-c4nccn4C)nn3)C2)CS(=O)(=O)C1,GKXYKVIQXODBPQ-SHTZXODSSA-N
|
| 29188 |
+
rxn:3:39321:60582:95904,C=CC[C@H](C(=O)NC1CC2(C1)CC2(F)F)n1cc(CCN(C)C)nn1,SGRZRLKHMOWCHU-NPCAHTBFSA-N
|
| 29189 |
+
rxn:3:39390:42130:131256,C=CCCCc1cn(CC#Cc2sccc2C(=O)NCC2CC(F)(COC)C2)nn1,LSOVHUDQLKYCHR-UHFFFAOYSA-N
|
| 29190 |
+
rxn:3:39390:42680:131256,C=CCCCc1cn(CC#Cc2ccc(C(=O)NCC3CC(F)(COC)C3)nc2)nn1,KWYNZJPWUVQZAH-UHFFFAOYSA-N
|
| 29191 |
+
rxn:3:40003:8634:95986,CC#CC1(F)CC(NC(=O)c2ccc(C=CCn3cc(C4(N(C)C)CCC4)nn3)s2)C1,ADKUSVVPROEVJW-UHFFFAOYSA-N
|
| 29192 |
+
rxn:3:40919:28122:85099,CN(C)C1CCn2c(-c3cn(CC=Cc4cc(C(=O)NC5CC(C6CC6)C5)c(F)cn4)nn3)ccc21,LAMBRDMRVVDIBL-UHFFFAOYSA-N
|
| 29193 |
+
rxn:3:4:59957:111610,C[C@@H](CC(=O)NC1(COS(=O)(=O)[O-])CCCC1)n1cc(-c2ccc(N(C)C)nn2)nn1,YAHNLTVFYPZPPZ-ZDUSSCGKSA-M
|
| 29194 |
+
rxn:3:4:59990:111610,C[C@H](CC(=O)NC1(COS(=O)(=O)[O-])CCCC1)n1cc(-c2ccc(N(C)C)nn2)nn1,YAHNLTVFYPZPPZ-CYBMUJFWSA-M
|
| 29195 |
+
rxn:3:4:62323:111610,CC(Cn1cc(-c2ccc(N(C)C)nn2)nn1)C(=O)NC1(COS(=O)(=O)[O-])CCCC1,NPJRMEUCTGQMKX-UHFFFAOYSA-M
|
| 29196 |
+
rxn:3:49115:6382:111610,COC(Cn1cc(-c2nccc(N(C)C)n2)nn1)C(=O)NC1(COS(=O)(=O)[O-])CCCC1,JBVAGGSHYSGJRR-UHFFFAOYSA-M
|
| 29197 |
+
rxn:3:60054:14351:92547,N#CC12CC(c3cn(CC45CC(C(=O)Nc6ccc(OS(=O)(=O)F)cc6)(C4)C5)nn3)(C1)C2,SGKJXZDYQBLIKZ-UHFFFAOYSA-N
|
| 29198 |
+
rxn:3:6164:60582:69332,C=CC[C@H](C(=O)NCc1sccc1OCC1CCCO1)n1cc(C2CC[Si](C)(C)C2)nn1,YMNKMVBRAODZTL-AFMYVXGZSA-N
|
| 29199 |
+
rxn:3:62323:6382:111610,CC(Cn1cc(-c2nccc(N(C)C)n2)nn1)C(=O)NC1(COS(=O)(=O)[O-])CCCC1,GCOBYRPOHUFRLW-UHFFFAOYSA-M
|
| 29200 |
+
rxn:3:6382:45123:111610,CC(Oc1ccc(-n2cc(-c3nccc(N(C)C)n3)nn2)cc1)C(=O)NC1(COS(=O)(=O)[O-])CCCC1,HZLCKFLOZVZSNH-UHFFFAOYSA-M
|
| 29201 |
+
rxn:3:6382:47746:116072,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@@H]5CCCC(C)(C)C5)cn(C5CC5)c4c3F)nn2)n1,WEBRYTAXKILECP-MRXNPFEDSA-N
|
| 29202 |
+
rxn:3:6382:47746:124091,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5CCCC(C)(C)C5)cn(C5CC5)c4c3F)nn2)n1,WEBRYTAXKILECP-INIZCTEOSA-N
|
| 29203 |
+
rxn:3:6382:47746:128514,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5C[C@H](C(C)(C)C)C5)cn(C5CC5)c4c3F)nn2)n1,OZCYPPXDRYOCBS-WKILWMFISA-N
|
| 29204 |
+
rxn:3:6382:47746:83246,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5C[C@@H](C(C)(C)C)C5)cn(C5CC5)c4c3F)nn2)n1,OZCYPPXDRYOCBS-IYBDPMFKSA-N
|
| 29205 |
+
rxn:3:6382:47746:88981,CN(C)c1ccnc(-c2cn(-c3c(F)cc4c(=O)c(C(=O)N[C@H]5CCCCC5(C)C)cn(C5CC5)c4c3F)nn2)n1,LQRANKZQHUSCRT-NRFANRHFSA-N
|
| 29206 |
+
rxn:3:6383:45123:111610,CC(Oc1ccc(-n2cc(-c3cc(N(C)C)ncn3)nn2)cc1)C(=O)NC1(COS(=O)(=O)[O-])CCCC1,QDIPBOPZYVGRJR-UHFFFAOYSA-M
|
| 29207 |
+
rxn:3:6383:59957:111610,C[C@@H](CC(=O)NC1(COS(=O)(=O)[O-])CCCC1)n1cc(-c2cc(N(C)C)ncn2)nn1,GBJDHIYYMKEOFE-ZDUSSCGKSA-M
|
| 29208 |
+
rxn:3:6388:49127:132721,CCOC(Cn1cc(-c2ccc3nccn3n2)nn1)C(=O)NC1CCC(CS(=O)(=O)CC)CC1,QWGCHYWHIRJOOQ-UHFFFAOYSA-N
|
| 29209 |
+
rxn:3:6388:56509:86265,COc1cc(C(=O)NCC2(OC)CCCS(=O)(=O)C2)cc(C2CC2Cn2cc(-c3ccc4nccn4n3)nn2)c1,NBQFXMYPGOUVET-UHFFFAOYSA-N
|
| 29210 |
+
rxn:3:6388:56512:111610,COc1ccc(C(=O)NC2(COS(=O)(=O)[O-])CCCC2)c(C2CC2Cn2cc(-c3ccc4nccn4n3)nn2)c1,FNDLZUROAQTBPL-UHFFFAOYSA-M
|
| 29211 |
+
rxn:3:6388:56514:86265,COc1cccc(C2CC2Cn2cc(-c3ccc4nccn4n3)nn2)c1C(=O)NCC1(OC)CCCS(=O)(=O)C1,IBBKFUURSBDBPL-UHFFFAOYSA-N
|
| 29212 |
+
rxn:3:6402:59446:93449,CCS(=O)(=O)c1ccccc1CNC(=O)[C@H]1C[C@@H](n2cc(-c3cnc(N4CCCCCC4)nc3)nn2)C1,RTQHMISANXCVGO-GRGXKFILSA-N
|
| 29213 |
+
rxn:3:6402:59957:136751,C[C@@H](CC(=O)NCc1ccsc1S(=O)(=O)C1CC1)n1cc(-c2cnc(N3CCCCCC3)nc2)nn1,WZOKDWAFLQTMOI-KRWDZBQOSA-N
|
| 29214 |
+
rxn:3:6404:45841:121443,CN1CCCN(c2ncc(-c3cn(CCC=Cc4ccc(C(=O)NOS(C)(=O)=O)cc4)nn3)cn2)CC1,IMVHEQHRTGURRY-UHFFFAOYSA-N
|
| 29215 |
+
rxn:3:6404:59446:70780,CCS(=O)(=O)CNC(=O)[C@H]1C[C@@H](n2cc(-c3cnc(N4CCCN(C)CC4)nc3)nn2)C1,AEKVWEJHUJOCBC-WOVMCDHWSA-N
|
| 29216 |
+
rxn:3:6404:60582:128780,C=CC[C@H](C(=O)NCc1ccc2c(c1)CCS2(=O)=O)n1cc(-c2cnc(N3CCCN(C)CC3)nc2)nn1,PGUSYWTVMUTNFZ-HSZRJFAPSA-N
|
| 29217 |
+
rxn:3:6999:55311:111610,N#Cc1nccnc1-c1cn(CC2CC2c2ccc(C(=O)NC3(COS(=O)(=O)[O-])CCCC3)o2)nn1,KGFDTZZZKGBKNC-UHFFFAOYSA-M
|
| 29218 |
+
rxn:3:709:56119:69101,CC=Cc1cn(CC2CC2c2ccc(C(=O)N[C@H]3C[C@@H](OCC(C)C)C3)c(F)c2)nn1,OLZVSHJCKCPWLW-HGBKABEASA-N
|
| 29219 |
+
rxn:3:709:56298:108610,CC=Cc1cn(CC2CC2c2cc(C(=O)N[C@H]3C[C@H](OCC(C)C)C3)c(F)cn2)nn1,YJIBCDQBHHOYEM-JBULHWBZSA-N
|
| 29220 |
+
rxn:3:709:56298:69101,CC=Cc1cn(CC2CC2c2cc(C(=O)N[C@H]3C[C@@H](OCC(C)C)C3)c(F)cn2)nn1,YJIBCDQBHHOYEM-AFGAAMFOSA-N
|
| 29221 |
+
rxn:3:710:42180:131256,CCC(C)Cc1cn(CC#Cc2ccc(C(=O)NCC3CC(F)(COC)C3)o2)nn1,WZLSCUQPIUBIIQ-UHFFFAOYSA-N
|
| 29222 |
+
rxn:3:7196:56512:111610,COc1ccc(C(=O)NC2(COS(=O)(=O)[O-])CCCC2)c(C2CC2Cn2cc(-c3ccn4nccc4n3)nn2)c1,JWUUCTCUZRBJLC-UHFFFAOYSA-M
|
| 29223 |
+
rxn:3:7653:49127:112703,CCOC(Cn1cc(-c2ncnc3ncccc23)nn1)C(=O)NCC1(OCC)CCS(=O)(=O)CC1,QWLREAPEOOSDLE-UHFFFAOYSA-N
|
| 29224 |
+
rxn:3:7653:49127:75953,CCOC(Cn1cc(-c2ncnc3ncccc23)nn1)C(=O)NCC1(S(=O)(=O)CC)CCOCC1,FAYAFWDIPBNWSP-UHFFFAOYSA-N
|
| 29225 |
+
rxn:3:7692:60637:79124,CCc1cc2c(-c3cn(-c4ccc(OC)c(C(=O)NCC5(S(=O)(=O)C6CCCC6)COC5)c4)nn3)ncnc2s1,QOUOAQKQRKMCOS-UHFFFAOYSA-N
|
| 29226 |
+
rxn:3:7698:49127:86265,CCOC(Cn1cc(-c2ncnc3c2ccn3C)nn1)C(=O)NCC1(OC)CCCS(=O)(=O)C1,ZFBKJHQATJGHPE-UHFFFAOYSA-N
|
| 29227 |
+
rxn:3:8674:65003:151783,CC(c1cn(CC2CC(=O)N(c3ncncc3C(=O)Nc3ccc(OS(=O)(=O)F)c4ccccc34)C2)nn1)N1CCCC1,ROYZGKARLZPUSV-UHFFFAOYSA-N
|
| 29228 |
+
rxn:3:8722:55885:84946,CC(c1cn(CC2CC2c2ncccc2C(=O)NCc2ccc(OS(=O)(=O)F)cc2)nn1)N1CCSCC1,FKMCCPZXVSUIIW-UHFFFAOYSA-N
|
| 29229 |
+
rxn:3:879:44053:131256,CCC(CC)c1cn(CCC#Cc2ccc(C(=O)NCC3CC(F)(COC)C3)o2)nn1,APUFXFNYKVLBHU-UHFFFAOYSA-N
|
| 29230 |
+
rxn:3:8803:44516:131256,C=CCCc1cn(CCC#Cc2cccc(C(=O)NCC3CC(F)(COC)C3)n2)nn1,LVZXDWVRIRWDNR-UHFFFAOYSA-N
|
| 29231 |
+
rxn:3:9:49127:70780,CCOC(Cn1cc(-c2ccc(N3CCCCC3)nn2)nn1)C(=O)NCS(=O)(=O)CC,IKDUKCZQXNIGRV-UHFFFAOYSA-N
|