urdof7 commited on
Commit
ed7324b
·
verified ·
1 Parent(s): 2fb225c

Added 206 molecules from epoch 17440 for O15379

Browse files
Files changed (1) hide show
  1. O15379_molecules.csv +206 -0
O15379_molecules.csv CHANGED
@@ -31280,3 +31280,209 @@ FE481112D983033E_4E67DE24B6162E3A_6041_UN,C[Si](C)(C)C1=C(N=C(C=C1)NC2(CCC2)C3=N
31280
  FF232EFC22398707_DDF3493981FA58CB_6038_UN,CC1=C(C2=C([NH]1)C=C(F)C=C2)CCNC(=O)C3=CC=C(S3)C4=CC=CC=C4,FETCPXBOBHYIOD-UHFFFAOYSA-N
31281
  FF85D8495608B53D_B8CF7B9030784D54_6038_UN,CCC1=CC(=CC(=C1)NC(=O)C2=C[N](N=C2)C3=CC(=CC=C3)F)CC,FQCXDEDOAPGHET-UHFFFAOYSA-N
31282
  FFD59EFA28155593_69446726AB9AB922_6041_DP,OC(=O)CCC(=O)CCC(=O)C1=CC=C(C=C1)N[C@@H]2CN[C@H](C(OC)=O)C2,CGSWEDGFZWNCBN-HOCLYGCPSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
31280
  FF232EFC22398707_DDF3493981FA58CB_6038_UN,CC1=C(C2=C([NH]1)C=C(F)C=C2)CCNC(=O)C3=CC=C(S3)C4=CC=CC=C4,FETCPXBOBHYIOD-UHFFFAOYSA-N
31281
  FF85D8495608B53D_B8CF7B9030784D54_6038_UN,CCC1=CC(=CC(=C1)NC(=O)C2=C[N](N=C2)C3=CC(=CC=C3)F)CC,FQCXDEDOAPGHET-UHFFFAOYSA-N
31282
  FFD59EFA28155593_69446726AB9AB922_6041_DP,OC(=O)CCC(=O)CCC(=O)C1=CC=C(C=C1)N[C@@H]2CN[C@H](C(OC)=O)C2,CGSWEDGFZWNCBN-HOCLYGCPSA-N
31283
+ rxn:2:100822:126600,Cc1ccc(C(C)NC2CCN(C)C(c3cc4c(cn3)CCN4C)C2)c(OS(=O)(=O)F)c1,LXJGIXAZIBEYIE-UHFFFAOYSA-N
31284
+ rxn:2:100916:126600,Cc1ccc(C(C)NC2(CN3CCN(C)CC3)CC2)c(OS(=O)(=O)F)c1,XBAXJRICDFKFHQ-UHFFFAOYSA-N
31285
+ rxn:2:101811:126600,Cc1ccc(C(C)NCC(C)(C)N2CCCC(C)C2)c(OS(=O)(=O)F)c1,CZIJSSRYDJGSPA-UHFFFAOYSA-N
31286
+ rxn:2:102207:126600,Cc1ccc(C(C)NCC2C(C)CCCN2CCN2CCOCC2)c(OS(=O)(=O)F)c1,VILFIDRILQJVQM-UHFFFAOYSA-N
31287
+ rxn:2:102709:126600,Cc1ccc(C(C)NC2CCN(C)CC2N2CCCCC2)c(OS(=O)(=O)F)c1,BLBBKVUDVJZHCX-UHFFFAOYSA-N
31288
+ rxn:2:102857:171582,CCCC(C(Nc1ccc(OC)cc1OC1COC1)c1ccc2c(c1)CCCC2)N1CCCC1,KCJLBJQUWCYXOR-UHFFFAOYSA-N
31289
+ rxn:2:103034:139138,CC1(C)SC(C)(C)C1NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,ZYJWBNSVPMLMMX-UHFFFAOYSA-M
31290
+ rxn:2:103232:143973,O=S1(=O)CCC(CCNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)(n2ccnc2)CC1,QEXUGGJEGOJBCD-UHFFFAOYSA-N
31291
+ rxn:2:103931:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3cnc(N4CCOCC4)nc3N(C)C)C2(F)F)c1,DEPFGVSTXHSARC-UHFFFAOYSA-N
31292
+ rxn:2:104448:144920,COCC1CN(CCNC(C)c2c(-c3cccc(OC(C)C)c3)cn[nH]c2=O)CC1(C)C,PPLHQCHAYTUANG-UHFFFAOYSA-N
31293
+ rxn:2:104974:143973,COC1CCN(c2cccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)CC1,MEQYUTBJSSLHRS-UHFFFAOYSA-N
31294
+ rxn:2:105081:126600,Cc1ccc(C(C)NCC(C(C)C)N2CCOCC2)c(OS(=O)(=O)F)c1,WSJFDAQCOIBYEC-UHFFFAOYSA-N
31295
+ rxn:2:105166:129042,CCC(C)(CNC1c2ccccc2CCCC1C)OC1CCC(C)CC1,YGEKKJUGYKDDKD-UHFFFAOYSA-N
31296
+ rxn:2:105240:126600,Cc1ccc(C(C)NCC2CN(C)CC23CCOC3)c(OS(=O)(=O)F)c1,KCMXSIQRRSJPAJ-UHFFFAOYSA-N
31297
+ rxn:2:105712:126600,Cc1ccc(C(C)NCC2CN(C)CCC(C)N2C2CC2)c(OS(=O)(=O)F)c1,UWJBOLZCSDOYHI-UHFFFAOYSA-N
31298
+ rxn:2:105948:126600,Cc1ccc(C(C)NC2(CCN3CCOCC3)CC2)c(OS(=O)(=O)F)c1,BPAKHBXFZLWUAC-UHFFFAOYSA-N
31299
+ rxn:2:106015:126600,Cc1ccc(C(C)NCCN2CCN(C3CCSC3)CC2)c(OS(=O)(=O)F)c1,YSFTYWFRKCATFK-UHFFFAOYSA-N
31300
+ rxn:2:106476:126600,Cc1ccc(C(C)NCCCN2CCCC2C2CCCC2)c(OS(=O)(=O)F)c1,OVGYDPFEJUYGHJ-UHFFFAOYSA-N
31301
+ rxn:2:106665:143818,CCC(Cc1cnc(N2CCN(C)CC2)nc1)NC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C,OSOQWPNVKLLVSN-UHFFFAOYSA-N
31302
+ rxn:2:106853:171582,CCCC(C(Nc1cccnc1N1CCC(COC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,SDANFPSOXFRDNS-UHFFFAOYSA-N
31303
+ rxn:2:108912:112627,CCC(NCC(C)(C)N(C)c1n[nH]c(=O)[nH]c1=O)c1cccc(C#CCCSC(C)=O)c1,UOPCNHOUHYXWTD-UHFFFAOYSA-N
31304
+ rxn:2:108913:130197,CCC(Nc1ccc2c(c1)N(CCOC(C)C)CC2)c1ccc(N2CCN(C)CC2)nc1C,UVVVIGNVXOYUFX-UHFFFAOYSA-N
31305
+ rxn:2:109429:126600,Cc1ccc(C(C)NCCN2CCC(C(C)C)CC2)c(OS(=O)(=O)F)c1,XMLHCBSODOCKLM-UHFFFAOYSA-N
31306
+ rxn:2:109965:143818,Cc1cc(CN(C)C2CCCCC2)cc(NC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)c1C,CSWXDQMKPCBQKU-UHFFFAOYSA-N
31307
+ rxn:2:110003:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3ccc(N4CCC(N(C)C)CC4)nc3)C2(F)F)nc1,VILIJGOCRWAIDJ-UHFFFAOYSA-N
31308
+ rxn:2:110489:159007,CCOCc1cccc(-c2ccc(C(C)Nc3cncnc3OC3CCCC(N(C)C)C3)c3c2OCO3)c1,YHPDOYBCIRKZEZ-UHFFFAOYSA-N
31309
+ rxn:2:110751:126600,Cc1ccc(C(C)NC2CCN(C3CC3)CC2(C)C)c(OS(=O)(=O)F)c1,YCXOMHWKMNMIQM-UHFFFAOYSA-N
31310
+ rxn:2:111211:126600,Cc1ccc(C(C)NCC2(N3CCN(C)CC3)CCC2)c(OS(=O)(=O)F)c1,DUXUNTCRLMNHDO-UHFFFAOYSA-N
31311
+ rxn:2:111629:126170,CCCC(C(Nc1ccncc1OC(C)C(C)C)c1ccc2c(c1)CCC2)N1CCCC1,PCVZPVVZUFLFIV-UHFFFAOYSA-N
31312
+ rxn:2:112380:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(N[C@@H]1C[C@@H]3CCN(C3)C1)C2,WCDWJIHWHZRURT-DSFJPSOSSA-M
31313
+ rxn:2:112995:136330,COC1CN(c2ccc(NC(CCN(C)C)c3cnc(N4CCCC4)nc3C)cn2)CC1OC,MUIBPPCRCRMMKD-UHFFFAOYSA-N
31314
+ rxn:2:113055:164912,CC(CN1CCN(C)CC1CN(C)C)NC(c1ccc(-c2cc3c(=O)nc[nH]c3s2)cc1)C(C)C,DRPWOHLIJLDZPO-UHFFFAOYSA-N
31315
+ rxn:2:113725:126600,CCn1ccnc1N1CCCN(CCNC(C)c2ccc(C)cc2OS(=O)(=O)F)CC1,PWVMBLHRNFBBBM-UHFFFAOYSA-N
31316
+ rxn:2:114254:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC13CC4CC1C3C4)C2,HFUHMOFCZYZPBX-UHFFFAOYSA-M
31317
+ rxn:2:114447:126600,Cc1ccc(C(C)NCCCN2CCN(C3CCC3)CC2)c(OS(=O)(=O)F)c1,DWQPRYXYWZVCNP-UHFFFAOYSA-N
31318
+ rxn:2:114751:130197,CCC(NC(C)c1cc2c3c(c1)CCCN3CCC2)c1ccc(N2CCN(C)CC2)nc1C,SKKGDWSPVKRVFD-UHFFFAOYSA-N
31319
+ rxn:2:114816:166005,CN1CC(NC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)C(c2ccc3c(c2)OCO3)C1,IAAMMWOFBVPTIB-UHFFFAOYSA-N
31320
+ rxn:2:115387:126600,Cc1ccc(C(C)NC2CCN(C3C(C)CCCC3C)CC2)c(OS(=O)(=O)F)c1,SYYMKWMPYXKYHI-UHFFFAOYSA-N
31321
+ rxn:2:115446:150881,CCOC1CN(c2ccc(NC(C)c3cc(-c4ccc(OC5CCOCC5)nc4)ccn3)cn2)CC1OC,PISHZXXHGGNYFI-UHFFFAOYSA-N
31322
+ rxn:2:115446:154927,CCOC1CN(c2ccc(NC(c3ccccc3)c3cnc(N4CCN(C)CC4)c(C)c3)cn2)CC1OC,DVACAWYLEPPMDD-UHFFFAOYSA-N
31323
+ rxn:2:115918:126600,Cc1ccc(C(C)NCC2(N3CCC(C)CC3C)CCSC2)c(OS(=O)(=O)F)c1,ZHAFIQMMRVVIDT-UHFFFAOYSA-N
31324
+ rxn:2:115952:73038,CCC(Nc1ccc(N2CCC(C)(COC)CC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,LZHPMYXWDSDGMT-UHFFFAOYSA-N
31325
+ rxn:2:115952:89826,CCCN(C)C(C)C(Nc1ccc(N2CCC(C)(COC)CC2)nc1)c1cc(C)ccc1C,PPOGMEQMSKWKSO-UHFFFAOYSA-N
31326
+ rxn:2:117066:133266,CCC1COCCN1C1(CNC(C)c2ccc(OS(=O)(=O)[O-])cc2)CCN(C)CC1,NINGWWMJRORADV-UHFFFAOYSA-M
31327
+ rxn:2:117659:117066,CC(NCC(C)(C)CN1CCN(C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,BUTAZNXNOBJRIN-UHFFFAOYSA-M
31328
+ rxn:2:118546:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCN1C3CCC1CC3)C2,DHLBWHZYFBGIPV-UHFFFAOYSA-M
31329
+ rxn:2:118625:85884,CCOC1CCCN(c2ccc(NC(c3ccc4c(c3)N(C(C)C)CCC4)C3CC3)nc2)C1,SCLURILGTNUKON-UHFFFAOYSA-N
31330
+ rxn:2:118893:126600,Cc1ccc(C(C)NCC(C)(C)N2CCC(C)CC2)c(OS(=O)(=O)F)c1,SOUIVJLSGFBHCR-UHFFFAOYSA-N
31331
+ rxn:2:119586:171582,CCCC(C(Nc1ncc(C(C)C)cc1OC1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,IOJZNJAGOBFAIS-UHFFFAOYSA-N
31332
+ rxn:2:120989:77438,CC(CCCO[Si](C)(C)C(C)(C)C)Nc1cc(C2CCN(C)CC2)[nH]n1,MMLWBMSTZQSCLL-UHFFFAOYSA-N
31333
+ rxn:2:121533:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1C2CN(C)CC1CN(Cc1ccccn1)C2,SOHSMLFPOQVMOA-UHFFFAOYSA-N
31334
+ rxn:2:121672:126170,CCCC(C(Nc1ccnc(OC2CCCC(C)C2)c1)c1ccc2c(c1)CCC2)N1CCCC1,RNEFYVSOEFBODY-UHFFFAOYSA-N
31335
+ rxn:2:121672:171582,CCCC(C(Nc1ccnc(OC2CCCC(C)C2)c1)c1ccc2c(c1)CCCC2)N1CCCC1,ZMXLHMDLIDWDSF-UHFFFAOYSA-N
31336
+ rxn:2:123036:138789,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccc(CN2CCSCC2)cc1)C1CCC1,GUVQZBIRBMZQLF-UHFFFAOYSA-N
31337
+ rxn:2:123036:147225,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C)c1cc(-c2ccnn2C2CCCC2)ccc1OC,DSWZCISKPBWDRZ-UHFFFAOYSA-N
31338
+ rxn:2:123036:157069,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C)c1ncc(-c2ccnc(OC3CC3)c2)cc1OC,IFMCDMLKYWNTIC-UHFFFAOYSA-N
31339
+ rxn:2:123196:143109,CC(C)CC(Nc1n[nH]cc1N1CCC(CN(C)C)CC1)c1ccc2c(c1)nc(C1CC1)n2C,JCAHANZVTGLXTJ-UHFFFAOYSA-N
31340
+ rxn:2:123501:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(NCCC1CCCN1c1ccc(C3CCC3)nn1)CC2,IQZTYQAFRFWVKR-UHFFFAOYSA-N
31341
+ rxn:2:123555:133852,COc1cc(C)c(C(NC(c2cccc(C)c2)C2CCCCC2)C2CC2)cc1C(C)(C)C,WCWQUGMRFKZLTI-UHFFFAOYSA-N
31342
+ rxn:2:123907:139223,CC(NCC1CCCCCCC1)c1ccc(C(C)(C)C)cc1C(C)(C)C,UABGEISPJXBKMV-UHFFFAOYSA-N
31343
+ rxn:2:125058:140542,CC(C)OC1CCCCCCC1NC1CCc2c1cccc2C(C)(C)C,VPCZYAZVVMEIEX-UHFFFAOYSA-N
31344
+ rxn:2:125179:126600,Cc1ccc(C(C)NC2CCOC3(CCN(C)C3)C2)c(OS(=O)(=O)F)c1,KUXXYSSFFAYPRQ-UHFFFAOYSA-N
31345
+ rxn:2:125295:153663,Cc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)n1NC1CC(CS(=O)(=O)F)C1,FZUQRQPKWNCESD-UHFFFAOYSA-N
31346
+ rxn:2:125370:164411,CCC1CCCCC1OCC(NC1CC(C(c2ccc3[nH]cnc3c2)N(C)C)C1)c1cccn1C,LFYMAHBDSZVTTN-UHFFFAOYSA-N
31347
+ rxn:2:127669:123244,CC1CCCC(C(NC2CCC3(CC2)OCc2ccccc23)C(C)(C)C)C1,GNFLMPKAYXXWAI-UHFFFAOYSA-N
31348
+ rxn:2:127679:143818,CCc1ccc2c(c1)N(C(C)CNC(C)CC(c1ccc3[nH]c(=O)[nH]c3c1)N(C)C)CC(CC)O2,LJJQOCVKUNUYTF-UHFFFAOYSA-N
31349
+ rxn:2:127839:126600,Cc1ccc(C(C)NCC(C2CCN(C)CC2)C2CCCN(C)C2)c(OS(=O)(=O)F)c1,VZXCLANILATPFO-UHFFFAOYSA-N
31350
+ rxn:2:128225:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1C[C@@H]3CC[C@H]3C1)C2,IWUXDDADZSYHFW-CIMBMEOQSA-M
31351
+ rxn:2:128765:135873,CC(C)C(C)(CNC(c1ccc2cc[nH]c2n1)C1CC1)N1CCC(N(C)C)CC1,XCPOIEITFJNJMV-UHFFFAOYSA-N
31352
+ rxn:2:129077:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(C)(C)CN1CCN(c2ccccc2)CC1,VAAKWJFVFGDZRP-UHFFFAOYSA-N
31353
+ rxn:2:129155:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CCC3CCC1CC3)C2,NGQKCECBZOWOGG-UHFFFAOYSA-M
31354
+ rxn:2:129762:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC#Cc1ccsc1CN(C)CC1CCC1,CYJZCTMARXVLEX-UHFFFAOYSA-N
31355
+ rxn:2:129767:145738,CCC(NCCOC1CCC(N(C)C)CC1)c1cnc(N2CCc3ccccc32)cc1C,PLUCLOWMVAFVKK-UHFFFAOYSA-N
31356
+ rxn:2:130695:126600,Cc1ccc(C(C)NCCN(C(C)C)C2CCCCC2)c(OS(=O)(=O)F)c1,RKGFWKHPHKNAHZ-UHFFFAOYSA-N
31357
+ rxn:2:131357:171582,CCCC(C(Nc1ccc(C2CCN(C)CC2)nc1OC(C)C)c1ccc2c(c1)CCCC2)N1CCCC1,PYWZNIKFOOYDLR-UHFFFAOYSA-N
31358
+ rxn:2:131811:130197,CCC(Nc1cccc(N2CCC(N(C)C)CC2)c1)c1ccc(N2CCN(C)CC2)nc1C,FWNVMQYFUKFNNY-UHFFFAOYSA-N
31359
+ rxn:2:133247:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1C[C@@H]3CCCN(C1)C3)C2,XCAOZDJXLSMHHW-IILDEKEXSA-M
31360
+ rxn:2:135285:126600,Cc1ccc(C(C)NCC2(N3CC(C)CC(C)C3)CCN(C)CC2)c(OS(=O)(=O)F)c1,YLPLTOWVQNAQCQ-UHFFFAOYSA-N
31361
+ rxn:2:135944:143818,CCc1ccc(N2CCC(CNC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)(N(C)C)C2)cc1,BSDTWWAYQQYQBZ-UHFFFAOYSA-N
31362
+ rxn:2:136330:143784,CCC(Nc1ccc(N2CC(OC)C(OC)C2)nc1)c1ccc2oc(=O)c(=O)n(OCC(C)C)c2c1,JNHZJURFODDPQA-UHFFFAOYSA-N
31363
+ rxn:2:136368:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(NC1CCN(c3cc(C4CCCC4)ncn3)CC1)CC2,UFUYXVLOGHPBKF-UHFFFAOYSA-N
31364
+ rxn:2:136704:126600,Cc1ccc(C(C)NCC2CCN(C(C)C)CCO2)c(OS(=O)(=O)F)c1,HTOJQQDDGQUHGC-UHFFFAOYSA-N
31365
+ rxn:2:136873:143973,CN1CC(n2ncc(C3CC3)c2CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1,KSUARQRTDRDODZ-UHFFFAOYSA-N
31366
+ rxn:2:137154:126600,Cc1ccc(C(C)NC2CCN(CC3CCN(C)C3)C(C)C2)c(OS(=O)(=O)F)c1,XDXHPAFYGCDMRX-UHFFFAOYSA-N
31367
+ rxn:2:137471:150543,CC(CCO[Si](C)(C)C(C)(C)C)NC1(c2ccc3[nH]c(C4CCC4)nc3c2)CC1,YMCPIDHUYJXUGU-UHFFFAOYSA-N
31368
+ rxn:2:138332:126600,Cc1ccc(C(C)NC2CCN(C3CC(C)CC(C)(C)C3)C2)c(OS(=O)(=O)F)c1,ZZQDHISSRWHCFM-UHFFFAOYSA-N
31369
+ rxn:2:138588:126600,Cc1ccc(C(C)Nc2c3c(nn2C2CCOCC2)CCN(C)C3)c(OS(=O)(=O)F)c1,SQESCGKUDWYZBA-UHFFFAOYSA-N
31370
+ rxn:2:139096:152050,CC(Nc1[nH]nc2c1CN(CCN(C)C)CC2)SCCC#Cc1ccc(C(=O)C(C)C)cc1,KLFBPINYGZPRLP-UHFFFAOYSA-N
31371
+ rxn:2:139166:143222,CCCC(NCCC1CN(C)CC(C)CN1CC(C)C)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1,CCUVXFGHXSOMQC-UHFFFAOYSA-N
31372
+ rxn:2:139262:143973,CC(C)N1CCN(c2nccc(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)CC1,KRSNYVFFJGPSHS-UHFFFAOYSA-N
31373
+ rxn:2:139644:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC13CC4CC(CC(C4)C1)C3)C2,MCGZCDDXDXAIAV-UHFFFAOYSA-M
31374
+ rxn:2:139687:126600,Cc1ccc(C(C)NCC(C)(C2CC2)N2CCOC(C)C2)c(OS(=O)(=O)F)c1,ZVFFKTHSVDHWPR-UHFFFAOYSA-N
31375
+ rxn:2:140012:145784,COC1CCOC2(CCN(CCCNC3c4cccc5cccc(c45)CC3(C)C)C2)C1,QYGPOZCUEMJYQQ-UHFFFAOYSA-N
31376
+ rxn:2:140060:149807,CCCN1CCC(C)N(C)CC1CCNC(c1ccc(-c2nc3nc[nH]c3c(=O)[nH]2)cc1)C(C)C,OBZXNJRFHXOMIW-UHFFFAOYSA-N
31377
+ rxn:2:141435:171107,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)c1ccc(N2CCCc3ccccc32)nc1C,KHJVUASPKYUVBG-UHFFFAOYSA-N
31378
+ rxn:2:143569:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cn(Cc4nnc5n4CCCCC5)nc3C)C2(F)F)nc1,JQMIJLLYXLMFND-UHFFFAOYSA-N
31379
+ rxn:2:144237:163667,CC(=O)c1cncc(C2C(CSC(C)Nc3cc(=O)[nH]c(=O)n3CC3CCCCN3C)C2(F)F)c1,WADWKKRRHGUCBG-UHFFFAOYSA-N
31380
+ rxn:2:144270:163667,CC(=O)c1cccc(C2C(CSC(C)Nc3cc(=O)[nH]c(=O)n3CC3CCCCN3C)C2(F)F)n1,YIKURBHRSRSDAA-UHFFFAOYSA-N
31381
+ rxn:2:156311:126170,CCCC(C(Nc1ccc2c(c1)c(OCC1CC1)nn2C)c1ccc2c(c1)CCC2)N1CCCC1,QVBMEUFFIUCPCI-UHFFFAOYSA-N
31382
+ rxn:2:167242:171582,CCCC(C(Nc1ccc(-c2cccc(OC(C)C)c2)[nH]c1=O)c1ccc2c(c1)CCCC2)N1CCCC1,LJYLOBXHLXGVDE-UHFFFAOYSA-N
31383
+ rxn:2:168047:171582,CCCC(C(Nc1cnn(-c2cncc(OC)c2)c1C1CC1)c1ccc2c(c1)CCCC2)N1CCCC1,PIFJMSTVERNOEV-UHFFFAOYSA-N
31384
+ rxn:2:65846:143973,Cc1cc(N2CCC(NC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)CC2)nc(C2CC2)n1,PLFDALJJFJIFCW-UHFFFAOYSA-N
31385
+ rxn:2:66082:120322,O=S(=O)(F)CC1(CNC2CC3CCC(C2)S3(=O)=O)CC1,ZADFGRSYSHYXPD-UHFFFAOYSA-N
31386
+ rxn:2:66082:79800,CS(C)(=O)=NS(=O)(=O)CCNC1CC2CCC(C1)S2(=O)=O,ZDTHLOYNWAYLHQ-UHFFFAOYSA-N
31387
+ rxn:2:66153:102757,CN1CCC2(CC1)Oc1ccccc1C2CNCCS(=O)(=O)c1ccc2c(c1)OCCO2,SJHGAEWBLAEYJF-UHFFFAOYSA-N
31388
+ rxn:2:66816:117066,CC(NC1CCN(C2CCN(C)CC2)CC1)c1ccc(OS(=O)(=O)[O-])cc1,GJTPXBHSLXOIBW-UHFFFAOYSA-M
31389
+ rxn:2:66888:136330,COC1CN(c2ccc(NC(CN(C)C(C)C3CC3)c3ccc(C)cc3)cn2)CC1OC,LXZJPIRTQLUUAC-UHFFFAOYSA-N
31390
+ rxn:2:67015:134029,CN(C)C(C)(CNC1CCC(C2CCC2)CC1)C(C)(C)C,FAGJJIGNPKEXPM-UHFFFAOYSA-N
31391
+ rxn:2:67765:117066,CC(NCC(C)(C)N1CCC(N(C)C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,IEYMIIZIDDWZTC-UHFFFAOYSA-M
31392
+ rxn:2:67779:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1ccc(N2CCN(C)CC2)cc1OC(C)C,AYIPJBYFXIXGLZ-UHFFFAOYSA-N
31393
+ rxn:2:68680:126600,Cc1ccc(C(C)NCCCOC2CCN(C)CC2)c(OS(=O)(=O)F)c1,ZVTAVCRRBMZGCH-UHFFFAOYSA-N
31394
+ rxn:2:68921:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NOC1CCC3CCC31)C2,XWEOIFOSDSWMCC-UHFFFAOYSA-M
31395
+ rxn:2:68985:117066,CC(NCC1(N2CCN(C)CC2)CCN(C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,QPTDHWNWACOSQH-UHFFFAOYSA-M
31396
+ rxn:2:69134:84594,CN(C1CCC(NC2(C3CCC3)CC2)CC1)C(C)(C)C,YYJVTQGDYWLILJ-UHFFFAOYSA-N
31397
+ rxn:2:69248:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1[C@H]3COC[C@H]13)C2,MYLXNMFTDZQBPE-RGBFSRPTSA-M
31398
+ rxn:2:69313:67403,CCC(NCCOC1CCN(c2ccc(C)cc2)CC1)c1cnc(N2CCCC2)cc1C,WXQCTPGIRKDXOE-UHFFFAOYSA-N
31399
+ rxn:2:69924:146975,CCOC1CN(c2ncccc2NC(c2ccccc2)c2ccc(N3CCN(C)CC3)nc2C)CC1OC,VAODACWZBJSHDZ-UHFFFAOYSA-N
31400
+ rxn:2:70502:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC13CCC(C1)OC3)C2,XYRZKINHXKYIKD-UHFFFAOYSA-M
31401
+ rxn:2:70596:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NOCc1ccccc1C1CC1)C2,MDYPDKBKHPYZNR-UHFFFAOYSA-M
31402
+ rxn:2:70629:145738,CCC(Nc1oc2c(c1C1CCCC1)C(N(C)C)CCC2)c1cnc(N2CCc3ccccc32)cc1C,RHKJQEKPEXOQMZ-UHFFFAOYSA-N
31403
+ rxn:2:70685:119803,O=S(=O)(F)C1CC(NCc2cc(C3C4CC5CC(C4)CC3C5)n[nH]2)C1,ROYFDSXWEUOKSB-UHFFFAOYSA-N
31404
+ rxn:2:70685:126568,O=S(=O)(F)C1CC(NCc2[nH]cnc2C2C3CC4CC(C3)CC2C4)C1,HXIXLKRIAHBVPQ-UHFFFAOYSA-N
31405
+ rxn:2:70685:161135,O=c1[nH]nc(C2C3CC4CC(C3)CC2C4)cc1NC1CC(S(=O)(=O)F)C1,FRTAARBRKCLHHA-UHFFFAOYSA-N
31406
+ rxn:2:70685:77770,O=S(=O)(F)C1CC(NCc2c[nH]c(C3C4CC5CC(C4)CC3C5)n2)C1,YGXWAZRAZMHGIU-UHFFFAOYSA-N
31407
+ rxn:2:70705:84594,CC(NC1CCC(N(C)C(C)(C)C)CC1)C1CCCC1,CYZKXLJJRJIERY-UHFFFAOYSA-N
31408
+ rxn:2:71216:126600,Cc1ccc(C(C)NC2CCN(C3CCN(C)C3)CC2)c(OS(=O)(=O)F)c1,RNUHJVPPTCZAAK-UHFFFAOYSA-N
31409
+ rxn:2:71623:79800,CS(C)(=O)=NS(=O)(=O)CCNC1CC2CCCC(C1)C2F,KEYCILBAWPJHOY-UHFFFAOYSA-N
31410
+ rxn:2:71969:84594,CN(C)C(NC1CCC(N(C)C(C)(C)C)CC1)C1CCCC1,CBHZVSOTYHIOFJ-UHFFFAOYSA-N
31411
+ rxn:2:72532:126600,Cc1ccc(C(C)NC2CCN(CCN3CCOCC3)CC2)c(OS(=O)(=O)F)c1,JEZGLPNGJFSPQI-UHFFFAOYSA-N
31412
+ rxn:2:73460:126600,Cc1ccc(C(C)NCC2CC2CN2CCN(C)CC2)c(OS(=O)(=O)F)c1,FDUYDLNVLVHHQM-UHFFFAOYSA-N
31413
+ rxn:2:73511:149426,CC(NC(c1n[nH]c(C(C)C)n1)C(C)C)SCCC#Cc1ccc(C(=O)C2CC2)cc1,KCQIILZPVDOCHK-UHFFFAOYSA-N
31414
+ rxn:2:73666:164089,COC1CN(CCNC(C)c2ccc(-c3cncc(N4CCOCC4)n3)c(C)c2)CC1OC,ADCACHWRMQRIOQ-UHFFFAOYSA-N
31415
+ rxn:2:73760:172542,COCC1CN(c2ncccc2NC(C)c2c(C)cc(-c3ccc(OCC4CC4)nc3)cc2C)CC1(C)C,RYHXWSSDTYQZHD-UHFFFAOYSA-N
31416
+ rxn:2:73779:126600,Cc1ccc(C(C)NCC2(N3CCC(N(C)C)CC3)CCN(C)C2)c(OS(=O)(=O)F)c1,OIGJCHSHJXTLDG-UHFFFAOYSA-N
31417
+ rxn:2:73779:141610,CC(NCC1(N2CCC(N(C)C)CC2)CCN(C)C1)c1ccc(S(=O)(=O)[O-])cc1,XUTRPPWJZXHBKT-UHFFFAOYSA-M
31418
+ rxn:2:74148:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1(S(C)(=O)=O)CC1)C2,DFKAKDAFWXIOFU-UHFFFAOYSA-M
31419
+ rxn:2:74635:120955,CCCOS(=O)(=O)c1ccc(NC2CCN(C3CC(F)(F)C3)CC2)cc1,SYLHUWFCAAYWRK-UHFFFAOYSA-N
31420
+ rxn:2:74747:74148,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[O-])C(NCC1(S(C)(=O)=O)CC1)C2,DFKAKDAFWXIOFU-KKXIITGPSA-M
31421
+ rxn:2:74801:150905,CC(NC1CC(O[Si](C)(C)C(C)(C)C)C1)c1c(N2CCCC2)cc(-c2ccccc2)[nH]c1=O,LKDJZDPSNXDYJX-UHFFFAOYSA-N
31422
+ rxn:2:74951:88547,CCC(C)(C)OCc1cccc(NC(C)c2cc3c4c(c2)CCCCC4CCCC3)c1C,JUKGZVQBVALQIU-UHFFFAOYSA-N
31423
+ rxn:2:75640:126600,Cc1ccc(C(C)NC2CCC(N3CCN(C)CC3)CC2)c(OS(=O)(=O)F)c1,BRGNPTFLYJSTTK-UHFFFAOYSA-N
31424
+ rxn:2:75921:130197,CCC(NCC(C)(C)CSc1ccc2c(c1)CCCC2)c1ccc(N2CCN(C)CC2)nc1C,OABCDPAYKKROAT-UHFFFAOYSA-N
31425
+ rxn:2:76014:146898,CC(C)(C)[Si](C)(C)OCC1CC(NC2(c3ccc4[nH]c(C5CCCC5)nc4c3)CC2)C1,RESSDMWTZQMPRJ-UHFFFAOYSA-N
31426
+ rxn:2:76014:150543,CC(C)(C)[Si](C)(C)OCC1CC(NC2(c3ccc4[nH]c(C5CCC5)nc4c3)CC2)C1,AYLPDODSWMGHJO-UHFFFAOYSA-N
31427
+ rxn:2:76214:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cnc(N4CCCCC4)nc3N(C)C)C2(F)F)nc1,NZPQYSZISWPJJF-UHFFFAOYSA-N
31428
+ rxn:2:76516:98451,CCC(C)c1n[nH]c(NC(C)Oc2cccc(OC)c2C(=O)C(C)(C)C)c1CC(C)C,SNJSYIXECBJCHX-UHFFFAOYSA-N
31429
+ rxn:2:76624:126600,Cc1ccc(C(C)NCC2(N3CCCC3C)CCC(C)CC2)c(OS(=O)(=O)F)c1,SYDIXYKYZDIBFP-UHFFFAOYSA-N
31430
+ rxn:2:77092:126600,Cc1ccc(C(C)NCC2(CN(C)C3CCN(C)CC3)CC2)c(OS(=O)(=O)F)c1,CCSXJKNPLJFRJB-UHFFFAOYSA-N
31431
+ rxn:2:78803:126170,CCCC(C(Nc1ccnc(OC2CCCCC2)c1)c1ccc2c(c1)CCC2)N1CCCC1,MDHRVYMUYLOXPY-UHFFFAOYSA-N
31432
+ rxn:2:79439:84946,CN(CC1CCC(NCc2ccc(OS(=O)(=O)F)cc2)CC1)C(C)(C)C,GYPMDPFYYJTPQP-UHFFFAOYSA-N
31433
+ rxn:2:79480:126600,Cc1ccc(C(C)NC2CC(C)CN(C3CCC3)C2)c(OS(=O)(=O)F)c1,MJMRPYRAWAQKNM-UHFFFAOYSA-N
31434
+ rxn:2:79800:109651,CS(C)(=O)=NS(=O)(=O)CCNC1CC2CCC(C1)C2F,WSSOQWBGGPAJMV-UHFFFAOYSA-N
31435
+ rxn:2:79800:128655,CS(C)(=O)=NS(=O)(=O)CCNC1CC2CC3CCCN2C3C1,KFZOKXJTEMXKPS-UHFFFAOYSA-N
31436
+ rxn:2:79800:137707,CS(C)(=O)=NS(=O)(=O)CCNC1CCC2CCC1CC2,QRGRFULVWCNTSP-UHFFFAOYSA-N
31437
+ rxn:2:79800:80913,CS(C)(=O)=NS(=O)(=O)CCNC1CCC2CC3CCCN2C31,NKMYHGNFNPKZJY-UHFFFAOYSA-N
31438
+ rxn:2:79800:92710,CS(C)(=O)=NS(=O)(=O)CCNC1CC2CCCC(F)(C2)C1,UQNQGECLHKXMOU-UHFFFAOYSA-N
31439
+ rxn:2:80772:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(C)(Cc1ccc[nH]1)N1CCCCCC1,UKOXSNJAGWIEBJ-UHFFFAOYSA-N
31440
+ rxn:2:80895:162953,CCC(C)N1C(CCNC(C)c2ccccc2-c2ccc3c(=O)[nH][nH]c3c2)CN(C)CCC1(C)C,DUDCXGALKXJHMI-UHFFFAOYSA-N
31441
+ rxn:2:81395:166331,CC1(CNC2CC3CCC(C2)N3Cc2ccc3c(c2)OCO3)CS(=O)(=O)C1,DDFNLODHGFTEEV-UHFFFAOYSA-N
31442
+ rxn:2:82213:141992,COCC(NC(C)(Cc1ccc[nH]1)N1CCN(C)CC1)c1cc(C)ccc1OC(C)C,RZJIDDOQNZILOR-UHFFFAOYSA-N
31443
+ rxn:2:82477:126600,Cc1ccc(C(C)NC(C)(C)CCN2CCOCC2)c(OS(=O)(=O)F)c1,OKGGXFNRSPZMDU-UHFFFAOYSA-N
31444
+ rxn:2:83088:143818,Cc1ccccc1C(CCN1CCN(C)CC1)NC(C)CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C,IUGQPMUESVSMDW-UHFFFAOYSA-N
31445
+ rxn:2:83448:139138,CN(C)C(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CCC(CC1)C2,GAXGKHINGPSUOC-UHFFFAOYSA-M
31446
+ rxn:2:83925:171582,CCCC(C(NCc1ccc(N2CCC(N(C)C)CC2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,BCFCDAVNFZYINE-UHFFFAOYSA-N
31447
+ rxn:2:83980:169228,CC(C)(C)c1ccc2c(c1)C(NC1CCCC3CCCCC31)c1cc(C(C)(C)C)ccc1-2,LBNZDGNRSYBORL-UHFFFAOYSA-N
31448
+ rxn:2:84015:81873,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC1(S(=O)(=O)C3CC3)CC1)C2,SQPZJSLNCAFTEY-AJUCZRQESA-M
31449
+ rxn:2:84138:155159,CS(=O)(=O)c1ccc(C(CC2=NCCO2)NCCN=S2(=O)CCCC2)cc1,JGDJSBXAYFXLJQ-UHFFFAOYSA-N
31450
+ rxn:2:84594:103836,CN(C1CCC(N[C@H]2CC[C@@H](C)CC2)CC1)C(C)(C)C,JCNZZTJPFNKPHL-RYTJFDOTSA-N
31451
+ rxn:2:84594:104038,CN(C)CC1CC(NC2CCC(N(C)C(C)(C)C)CC2)C1,UNMGDMXUPPLFIJ-UHFFFAOYSA-N
31452
+ rxn:2:84594:104426,CN(C)C1CCCC(NC2CCC(N(C)C(C)(C)C)CC2)C1,XBQWGZQANXFRIH-UHFFFAOYSA-N
31453
+ rxn:2:84594:107917,CN(C)C1CCCC1NC1CCC(N(C)C(C)(C)C)CC1,KEBIJWWYEZZLBD-UHFFFAOYSA-N
31454
+ rxn:2:84594:108832,CN1CCC(C2CC2NC2CCC(N(C)C(C)(C)C)CC2)CC1,LMBVYDFMRJKWFS-UHFFFAOYSA-N
31455
+ rxn:2:84594:138984,CN(C1CCC1)C1CCC(NC2CCC(N(C)C(C)(C)C)CC2)CC1,CGYHWJWCUDTETM-UHFFFAOYSA-N
31456
+ rxn:2:84594:96306,CN(C1CCC(N[C@H]2CC[C@H](C)CC2)CC1)C(C)(C)C,JCNZZTJPFNKPHL-OJHJNGDYSA-N
31457
+ rxn:2:84594:99891,CN(C)CC1CCC(NC2CCC(N(C)C(C)(C)C)CC2)CC1,PANMPRIUSFZINR-UHFFFAOYSA-N
31458
+ rxn:2:85341:139138,CC1(C)C2CCC1(C)C(NC1CC3CCC1(CS(=O)(=O)[O-])C3(C)C)C2,JEBLUURUMWLKHU-UHFFFAOYSA-M
31459
+ rxn:2:85458:154155,CN(C)C1CCC(N(C)CCNC2COc3ccc(-c4cnn(S(C)(=O)=O)c4)cc32)CC1,QHDCDLDFJJKCFP-UHFFFAOYSA-N
31460
+ rxn:2:86416:117066,CC(NCC1(C(C2CCN(C)CC2)N(C)C)CCC1)c1ccc(OS(=O)(=O)[O-])cc1,UJPGLFGQAPMIDL-UHFFFAOYSA-M
31461
+ rxn:2:86701:139096,CC(Nc1[nH]nc2c1CN(CCN(C)C)CC2)SCC#Cc1ccc(C(=O)C(C)C)cc1,KENKKQNUSBKREL-UHFFFAOYSA-N
31462
+ rxn:2:87496:114447,CCC(NCCCN1CCN(C2CCC2)CC1)c1cccc(S(=O)(=O)F)c1,UGCLXDKUCOUYSB-UHFFFAOYSA-N
31463
+ rxn:2:87625:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCN=S(C)(C)=O)C2,NWDGMOICSOULKW-UHFFFAOYSA-M
31464
+ rxn:2:88099:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1(CN2CCC(N(C)C)CC2)CCCCC1,MZNHWFKIEQVLBR-UHFFFAOYSA-N
31465
+ rxn:2:88353:126170,CCCC(C(Nc1cnccc1N1CCC(N(C)C)C1)c1ccc2c(c1)CCC2)N1CCCC1,YAYBNTWRQZDGAY-UHFFFAOYSA-N
31466
+ rxn:2:88556:146370,CC[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](NC2CCCc3ccc(-c4ccc5c(=O)[nH][nH]c5c4)cc32)C1,XNDJECUNUKXGCN-PKIWVEJOSA-N
31467
+ rxn:2:88772:126600,Cc1ccc(C(C)NCC(C)(C)N2CCCC(N(C)C3CC3)C2)c(OS(=O)(=O)F)c1,WLEQMKAZULDIHC-UHFFFAOYSA-N
31468
+ rxn:2:88937:116942,CN(C)C1CCCC1Nc1c(C2CCC2)c(C2CCC2)nn1C(C)(C)C,JGMJQZOQZQZKCC-UHFFFAOYSA-N
31469
+ rxn:2:89218:166331,CC1(CNC2CC3CCC(C2)N3Cc2ccc3c(c2)OCO3)CCS(=O)(=O)C1,XGBJSSORJCQTCI-UHFFFAOYSA-N
31470
+ rxn:2:89533:130197,CCC(Nc1ccc(N2CCC(N(C)C)CC2)cc1)c1ccc(N2CCN(C)CC2)nc1C,PMUKILPJUXZGGM-UHFFFAOYSA-N
31471
+ rxn:2:90001:126600,Cc1ccc(C(C)NCCN2CCN(CC3CC3)CC2)c(OS(=O)(=O)F)c1,TZJZNHVFUWESFT-UHFFFAOYSA-N
31472
+ rxn:2:90147:126410,CN1CCN(CCCONC(c2ccc(S(=O)(=O)F)cc2)C2CC2)CC1,XUIZKONYZBUNOX-UHFFFAOYSA-N
31473
+ rxn:2:90156:122646,CCC(Nc1ccc(OCCN2CCN(C)CC2)nc1)C(C)CN(C)C,SWWZFEQFTFZCFE-UHFFFAOYSA-N
31474
+ rxn:2:90245:111106,COCC1CN(c2ccc(NC(c3cc(C)ccc3C)C(C)OC3CCC3)cn2)CC1C,FCFNQJPUAQWABS-UHFFFAOYSA-N
31475
+ rxn:2:90550:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC13COCC(C1)C3)C2,XIMBSKRFHJBPSJ-UHFFFAOYSA-M
31476
+ rxn:2:91160:156863,CN(C)CCN(C)C1CCC(NC(C)(C)C(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CC1,IOQOJMIVWBASBC-UHFFFAOYSA-N
31477
+ rxn:2:91168:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CN3CCC1C3)C2,SJJZSKVKSQLJLU-UHFFFAOYSA-M
31478
+ rxn:2:91379:73038,CCC(Nc1ccccc1N1CCC(N(C)C)CC1)c1cnc(N2CCN(CC)CC2)cc1C,QVCXAYRFVCWMSH-UHFFFAOYSA-N
31479
+ rxn:2:91794:126600,Cc1ccc(C(C)NCC(C)CN2CCN(C)CC2)c(OS(=O)(=O)F)c1,LTHONVCEFDGPHY-UHFFFAOYSA-N
31480
+ rxn:2:92094:159543,CCCn1nc(-c2ccc(C(C)C)cc2)cc(C(C)NCC2(c3ncc(C4CCN(C)C4)[nH]3)CC2)c1=O,CEQGOHCGEWUMHA-UHFFFAOYSA-N
31481
+ rxn:2:93740:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3ncccc3OCCC(C)(C)C)C2(F)F)nc1,FHFFRPRFXWQAEX-UHFFFAOYSA-N
31482
+ rxn:2:95120:171582,CCCC(C(Nc1cccc(OC(C)C2CC2)c1)c1ccc2c(c1)CCCC2)N1CCCC1,WXCVQXDOGPSTLJ-UHFFFAOYSA-N
31483
+ rxn:2:95886:126600,Cc1ccc(C(C)NCC(C)(C)N2CCN(C)CC2)c(OS(=O)(=O)F)c1,PJOTXCHMKQBABA-UHFFFAOYSA-N
31484
+ rxn:2:96927:117066,CC(NCCN(C1CC1)C1CCN(C)C1)c1ccc(OS(=O)(=O)[O-])cc1,GRPJIPDAYDXQNA-UHFFFAOYSA-M
31485
+ rxn:2:98703:117066,CC(NCCN(C1CC1)C1CCN(C)CC1)c1ccc(OS(=O)(=O)[O-])cc1,QHRGGSCHLASRBJ-UHFFFAOYSA-M
31486
+ rxn:2:99230:126600,Cc1ccc(C(C)NC2CN(CC3CCOCC3)C2)c(OS(=O)(=O)F)c1,YHJVKIMFSQBRBB-UHFFFAOYSA-N
31487
+ rxn:2:99566:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3nc(N4CCN(C)CC4)ns3)C2(F)F)nc1,OJDNGPICFPHSTD-UHFFFAOYSA-N
31488
+ rxn:2:99675:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CCC3CC1C3)C2,IBRYPVNCCCWJTG-UHFFFAOYSA-M