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1
urdof7 commited on
Commit
f97ff61
·
verified ·
1 Parent(s): 58a576c

Added 337 molecules from epoch 17428 for O15379

Browse files
Files changed (1) hide show
  1. O15379_molecules.csv +337 -0
O15379_molecules.csv CHANGED
@@ -27492,3 +27492,340 @@ FD0702B3AF801C30_67D9E9ED072FF942_7019_UN,C(CN1C(=O)OC2=C1C=CC=C2)=CC3=CC=CC(=C3
27492
  FD101554C78F7EE5_1BCF0E54FBD207FA_6031_UN,C[N]1N=C(C=C1C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CN=C(OC)C=C4,VMUPDDSJCWCKGG-UHFFFAOYSA-N
27493
  FD5B1900281E46F8_99A799CFDCBF4B92_7017_UN,NC1=C(C=C(C=C1)[S](=O)(=O)N3C2(C)CC(C2)(C#N)C3)Br,SDBFXZLSTDXMMS-UHFFFAOYSA-N
27494
  FF9E6EE66B59BD5C_20CC60E5E85DD35C_6035_UN,NCC1(C2CCN(C1)CC2)OC3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,AGVWPOQKGXISTH-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
27492
  FD101554C78F7EE5_1BCF0E54FBD207FA_6031_UN,C[N]1N=C(C=C1C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CN=C(OC)C=C4,VMUPDDSJCWCKGG-UHFFFAOYSA-N
27493
  FD5B1900281E46F8_99A799CFDCBF4B92_7017_UN,NC1=C(C=C(C=C1)[S](=O)(=O)N3C2(C)CC(C2)(C#N)C3)Br,SDBFXZLSTDXMMS-UHFFFAOYSA-N
27494
  FF9E6EE66B59BD5C_20CC60E5E85DD35C_6035_UN,NCC1(C2CCN(C1)CC2)OC3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,AGVWPOQKGXISTH-UHFFFAOYSA-N
27495
+ rxn:2:100417:74747,C[C@H](NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,KYBSHYVCXSTJOZ-MVCVXSNHSA-M
27496
+ rxn:2:100874:109800,CCC(C(NCC1(OC)CS(=O)(=O)C1)c1ccccc1)N1CCCOCC1,ILSANZVGMXXBGO-UHFFFAOYSA-N
27497
+ rxn:2:101026:74747,CC1(CONC2C[C@H]3CC[C@]2(CS(=O)(=O)[O-])C3(C)C)CC1,CDGBKHPVKICESQ-KKXIITGPSA-M
27498
+ rxn:2:101200:139138,Cc1ccccc1C(C)N1CCC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,SPMNUBKTQHIXKG-UHFFFAOYSA-M
27499
+ rxn:2:101547:152904,CCCC(N[C@H]1CC[C@H](N(C)C2CCCCC2)CC1)c1ccc(-c2cc3[nH]c(=O)[nH]c3cn2)cc1,KJCIMPFYGHPXBQ-HINAQMAFSA-N
27500
+ rxn:2:102195:106485,COC[C@H]1CC[C@H](NC(CC2=NCCO2)c2cc(OC)ccc2OC)CC1,ZWESCENRAJQYIK-DBTMUERSSA-N
27501
+ rxn:2:102750:104695,CCC(COS(C)(=O)=O)NC(C)C12C3C4C5C3C1C5C42,NICICUPZALVLDT-UHFFFAOYSA-N
27502
+ rxn:2:102788:117042,CCCC1CC2(C1)CC(Nc1ccccc1N1CCC(C)(COC)CC1)C2,FKNUQQIIUCLQMS-UHFFFAOYSA-N
27503
+ rxn:2:103049:139138,Cc1ccccc1C(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)N1CCCOCC1,FCAROQBQCVQMPW-UHFFFAOYSA-M
27504
+ rxn:2:103254:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(C)(CC(C)(C3)C1)C2,OYNCGXVHEYWFQJ-UHFFFAOYSA-M
27505
+ rxn:2:103305:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1(N2CCOCC2)CCC1,JPNLYEHTRURUFB-UHFFFAOYSA-N
27506
+ rxn:2:103599:139138,Cc1ccc(C(CN2CCC(C)CC2)NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c(C)c1,JTONBZQXWSCLSH-UHFFFAOYSA-M
27507
+ rxn:2:103761:143973,COc1ccc(C)cc1C(CNC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C1CCCC1,GHPYDIZRAVXXOR-UHFFFAOYSA-N
27508
+ rxn:2:104645:139138,Cc1ccsc1C1(C2(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CCC2)COC1,BHIIPQBPJGNQQO-UHFFFAOYSA-M
27509
+ rxn:2:104835:145364,CCOCC1(CNC(CN2CCCCC2)c2ccc3[nH]c(C4CC4)nc3c2)CC2(CC2)C1,ASADQBUNIPXWJF-UHFFFAOYSA-N
27510
+ rxn:2:104835:145820,CCOCC1(CNC2CCOc3cc(-c4cnn(C5CCC5)c4)ccc32)CC2(CC2)C1,LBVMDWBBSUKKNQ-UHFFFAOYSA-N
27511
+ rxn:2:104835:148738,CCOCC1(CNC(c2ccccc2)c2cnc(N3CCN(C)CC3)cc2C)CC2(CC2)C1,MPMDHVYBWDOBOZ-UHFFFAOYSA-N
27512
+ rxn:2:104835:164593,CCOCC1(CNC2CCc3ccc(-c4cnc(N5CCOCC5)nc4)cc32)CC2(CC2)C1,WDENDXRFTPGZFV-UHFFFAOYSA-N
27513
+ rxn:2:104835:168431,CCOCC1(CNC2CCCc3nc(-c4ccc(N5CCCC5)nc4)sc32)CC2(CC2)C1,GXRZBQLRUKBYHP-UHFFFAOYSA-N
27514
+ rxn:2:105068:140873,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCN(C2CCC2)CC1,VJGIXDRZJLBQIU-UHFFFAOYSA-N
27515
+ rxn:2:105921:128441,CCCN(C)C1(CNC(CCS(=O)(=O)F)C2CC2)CN2CCC1CC2,NBWWNLAVWHAVLO-UHFFFAOYSA-N
27516
+ rxn:2:105921:70685,CCCN(C)C1(CNC2CC(S(=O)(=O)F)C2)CN2CCC1CC2,UOPPJKCQZZRWRN-UHFFFAOYSA-N
27517
+ rxn:2:105948:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1(CCN2CCOCC2)CC1,ABLGHTNKLMFCHS-UHFFFAOYSA-N
27518
+ rxn:2:106065:139138,C[C@@H](NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12C3C4C5C3C1C5C42,RSDBPSNHZNWWJA-DNBYRKIISA-M
27519
+ rxn:2:106485:135524,COC[C@H]1CC[C@@H](NC(CC2=NCCO2)c2cc(OC)ccc2OC)CC1,ZWESCENRAJQYIK-MCPYQZEQSA-N
27520
+ rxn:2:106497:145150,CC(NCC1(N(C)CC2CCCCO2)CCOCC1)c1ncc(-c2ccc3[nH]c(=O)[nH]c3c2)cn1,ADONWSWRLQZLEI-UHFFFAOYSA-N
27521
+ rxn:2:106627:108131,COc1ccccc1S(=O)(=O)CCNCC(C1CCCCC1)S(C)(=O)=O,YSLPRLRTODXHPH-UHFFFAOYSA-N
27522
+ rxn:2:107255:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1C(=O)SC13CCCC3)C2,IMSSEKGRUHDBMK-UHFFFAOYSA-M
27523
+ rxn:2:107317:139138,Cc1ccccc1CN1CCC(CCNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,XOZYATZVLCSAKR-UHFFFAOYSA-M
27524
+ rxn:2:107771:139138,CC(CCC1C2CC3CC(C2)CC1C3)CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,YLPBGUHDLRFOQC-UHFFFAOYSA-M
27525
+ rxn:2:107878:143818,CCN1CCC(N(C)CC2(NC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)CCCC2)CC1,NKZLRAXZEKBYCE-UHFFFAOYSA-N
27526
+ rxn:2:108253:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1CC3CCC(C1)N3CCN1CCCC1)C2,JDYUXFYARLNFQD-UHFFFAOYSA-M
27527
+ rxn:2:108433:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cc(C2CC2)nn1C(C)C1CCCOC1,BJEBIPRTZFYLGA-UHFFFAOYSA-N
27528
+ rxn:2:108874:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(C3C4CC5CC(C4)CC3C5)CCCC1)C2,YZXZUBNSHSDEAY-UHFFFAOYSA-M
27529
+ rxn:2:108960:136737,CCOCC1CCN(c2ccc(NC3CCN(CC(C)C)CC3)cc2)CC1,YBASUTNUWQQKPT-UHFFFAOYSA-N
27530
+ rxn:2:109407:159916,COc1ccc(C(NCCN2CCS(=O)(=O)CC2)C23CN4CN(CN(C4)C2)C3)cc1,JSNZVTBHXCTNRZ-UHFFFAOYSA-N
27531
+ rxn:2:109467:145464,Cc1[nH]c(=O)[nH]c(=O)c1-c1ccc2c(c1)C(NCC1(N(C)C3CC3)CN3CCC1CC3)CCC2,VRUWGWBGYVZTHV-UHFFFAOYSA-N
27532
+ rxn:2:109467:167512,CC(NCC1(N(C)C2CC2)CN2CCC1CC2)c1cn(N2CCN(C)CC2)c(=O)[nH]c1=O,GQLFTNBAOVHVBQ-UHFFFAOYSA-N
27533
+ rxn:2:109467:67412,CN(C1CC1)C1(CNC2C[C@H]3CC[C@]2(CS(=O)(=O)F)C3(C)C)CN2CCC1CC2,XZELLRZWQDPRCP-FUGLIDABSA-N
27534
+ rxn:2:109800:125329,CCC(C(NC[C@@]12CCCN1C[C@H](OC)C2)c1ccccc1)N1CCCOCC1,BMPOQIKHUZYGJH-SMDVXAHOSA-N
27535
+ rxn:2:109810:139138,Cc1ccsc1C1(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)COC1,GDIDEKXGQVEKST-UHFFFAOYSA-M
27536
+ rxn:2:109906:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cc(CC2CCCC2)nn1C1CCOCC1,WWMLEBWRJSUITH-UHFFFAOYSA-N
27537
+ rxn:2:110482:122520,CCCC(Nc1ccc(C2(OC)COC2)cc1)C1CCCCN1C1CC1,QZAMIWXBUZTKAI-UHFFFAOYSA-N
27538
+ rxn:2:110631:88564,CN1CCC(n2c(CNC3C4(C)CCC5C4(C)COC53S(=O)(=O)[O-])cccc2=O)CC1,FBZHALLGTJVBER-UHFFFAOYSA-M
27539
+ rxn:2:110989:141998,CC(NCC#CC1C2CC3CC(C2)CC1C3)c1ccnc(S(C)(=O)=O)c1,RDNHACOQZBGOPA-UHFFFAOYSA-N
27540
+ rxn:2:111610:122201,Cc1ccc(C(COC2CCOCC2)NC2(COS(=O)(=O)[O-])CCCC2)s1,YIGOYKIDGPKZHL-UHFFFAOYSA-M
27541
+ rxn:2:111699:139138,COc1cccc(C2(NC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CCCN(C)C2)c1,JNXLIIOVUALDCN-UHFFFAOYSA-M
27542
+ rxn:2:111829:139138,CCCC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,SGFCWMODHSNONW-UHFFFAOYSA-M
27543
+ rxn:2:113025:168480,CC1(N2C3CCC2CC(Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)C3)CCCCC1,MGBGCGMNGXMKDQ-UHFFFAOYSA-N
27544
+ rxn:2:113177:153335,CCS(=O)(=O)c1ccc(C(NCCCN2CCC(F)CC2)C2CCCC2)cc1,YBGUUNXVUPRSOO-UHFFFAOYSA-N
27545
+ rxn:2:113378:144694,CCOc1ccc(-c2ccc(C(NOCC3CCN(C4CCS(=O)(=O)C4)CC3)C3CC3)cc2)cn1,FSLQTHSJPJOYOU-UHFFFAOYSA-N
27546
+ rxn:2:114046:143973,CS(=O)(=O)c1cccc(C2(CNC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)CCC2)c1,DDXQDYMZXSDEAA-UHFFFAOYSA-N
27547
+ rxn:2:114498:157320,CCC(CN1CCC(N(C)C)CC1)Nc1c(C(C)C)c(C)nn1-c1ccncc1OC,YCSJTFNHBZHLRT-UHFFFAOYSA-N
27548
+ rxn:2:114498:161299,CCC(CN1CCC(N(C)C)CC1)Nc1cc(COc2ccc3c(c2)OCO3)nn1C,UZFFOBFKZIZGQT-UHFFFAOYSA-N
27549
+ rxn:2:114521:102111,CCC(Nc1ccc(N2CCCC2COC)cc1)C1CCN(C2CC2)CC1,DNIWZAHWFZELLO-UHFFFAOYSA-N
27550
+ rxn:2:114613:159432,COc1cccc(OC(C)Nc2cnc(N(C)[C@@H]3COC[C@H]3F)nc2)c1C(=O)C1(C)CC1,CSCGCUONGVGRAB-VNCLPFQGSA-N
27551
+ rxn:2:114615:139138,CCN(c1cccc(C)c1)C1CCC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,FANRFPAFMJBYPK-UHFFFAOYSA-M
27552
+ rxn:2:114717:115972,CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)F)C(NC1C(=O)SC13CCC3)C2,SHSRRSWEEAALPU-FLRBZUCHSA-N
27553
+ rxn:2:114770:140873,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCCCN1C1CCC1,XQAFICYHHAAAKU-UHFFFAOYSA-N
27554
+ rxn:2:114951:143818,COC1CCOC2(CCCN(CCCNC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)C2)C1,ROZPNRUOEQXYCU-UHFFFAOYSA-N
27555
+ rxn:2:115952:108341,CCCCC[C@H]1CC[C@H](C2CCC(Nc3ccc(N4CCC(C)(COC)CC4)nc3)CC2)CC1,JYCBPPSTGFNJSA-UJLKWHDZSA-N
27556
+ rxn:2:115952:78919,CCCC[C@H]1CC[C@H](C2CCC(Nc3ccc(N4CCC(C)(COC)CC4)nc3)CC2)CC1,BFKWPKJBJJLFBS-DCVMKPNVSA-N
27557
+ rxn:2:116204:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1(N2CCCCC2)CCOCC1,BHVKXEUSSUFCQA-UHFFFAOYSA-N
27558
+ rxn:2:116313:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NC1CCC(N(C)OCC)CC1,RDOTXEBXHQVXES-UHFFFAOYSA-N
27559
+ rxn:2:116534:120784,CCOCC1CCN(c2ccccc2NC2CC3(CCC(C)(C)CC3)C2)CC1,QSUKXTYZBBODJS-UHFFFAOYSA-N
27560
+ rxn:2:117066:128682,CC(NCc1cn(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)c1ccc(OS(=O)(=O)[O-])cc1,JTQJVJLJINXJNV-UHFFFAOYSA-M
27561
+ rxn:2:117066:153663,Cc1nn(C23CC4CC(CC(C4)C2)C3)c(=O)n1NC(C)c1ccc(OS(=O)(=O)[O-])cc1,JRCLYGLNWBYXSX-UHFFFAOYSA-M
27562
+ rxn:2:117225:130197,CCC(Nc1ccc(OCCN2CCOCC2)nc1)c1ccc(N2CCN(C)CC2)nc1C,WZJBTFSPRPJODN-UHFFFAOYSA-N
27563
+ rxn:2:117259:168561,CC1CCCC(CNC(C#CN2CCCCC2)c2ccc3[nH]c(=O)[nH]c3c2)(N(C)Cc2ncccn2)C1,GSSDBWGTRQTLHA-UHFFFAOYSA-N
27564
+ rxn:2:117798:73038,CCC(Nc1cccnc1OCC1CCOCC1)c1cnc(N2CCN(CC)CC2)cc1C,IBKHNDQULVWKPH-UHFFFAOYSA-N
27565
+ rxn:2:117825:105145,CCOCC1CCCN(c2ncccc2NC(CC)c2ccc(N3CCC4(CC3)CC4)cc2)C1,UBJFQPCUTSBYOF-UHFFFAOYSA-N
27566
+ rxn:2:117825:75013,CCOCC1CCCN(c2ncccc2NC(C)c2cccc(C34CCN(C)CC3C4)c2)C1,AZALJWOYLXOVDB-UHFFFAOYSA-N
27567
+ rxn:2:118260:139138,C[C@H](c1ccccc1)N1C[C@H](NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C2(CC2)C1,YZFBUUPHMGBCGA-MKLAWZIZSA-M
27568
+ rxn:2:118738:143973,CC1C(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC2CC1C2(C)C,JHPZXEHBZCKECJ-UHFFFAOYSA-N
27569
+ rxn:2:119462:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(N[C@H]1C[C@@H]3OCC[C@H]13)C2,INSQJPPMVXFPNR-RJJAFJBHSA-M
27570
+ rxn:2:119511:159432,COc1cccc(OC(C)Nc2nccc(N(C)[C@@H]3COC[C@H]3F)n2)c1C(=O)C1(C)CC1,DGPGFFSJTQHXRM-ANGDWKNPSA-N
27571
+ rxn:2:119530:160422,Cc1ccc(CNC2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)c(N2CCC(N(C)C)CC2)n1,HAKDPGTYYXIYNA-UHFFFAOYSA-N
27572
+ rxn:2:119623:149730,CC(NC1(c2nc(=O)c3c([nH]2)CCC3)CCCCC1)c1ccc(-c2cccc(CN(C)C)c2)c2c1OCO2,WKKOEPJPSZHTIA-UHFFFAOYSA-N
27573
+ rxn:2:119754:153742,CCC1C(F)(F)C12CCC(Nc1ccn(C)c(=O)c1S(=O)(=O)CC)CC2,SIWDAURUMCJKJM-UHFFFAOYSA-N
27574
+ rxn:2:119803:126600,Cc1ccc(C(C)NCc2cc(C3C4CC5CC(C4)CC3C5)n[nH]2)c(OS(=O)(=O)F)c1,VBOPYWFQQVKCQB-UHFFFAOYSA-N
27575
+ rxn:2:119892:135343,COS(=O)(=O)CC12CCC(CC1NCc1ccnc(S(=O)(=O)C3CC3)c1)C2(C)C,XENNFKJJCCXVPT-UHFFFAOYSA-N
27576
+ rxn:2:120197:166784,COc1cc(-c2ccc3[nH]c(=O)[nH]c3c2)cnc1C(C)NCC1(C(C2CCOCC2)N(C)C)COC1,VYVCOZSFGIWHJO-UHFFFAOYSA-N
27577
+ rxn:2:120312:139138,COCC(ONC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,VYYHFYSLFWJRDO-UHFFFAOYSA-M
27578
+ rxn:2:120322:143973,O=S(=O)(F)CC1(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1,HJWPBSILPRGYHN-UHFFFAOYSA-N
27579
+ rxn:2:120404:119356,CCOCC1CCN(c2nc(NC(C)c3cnccc3OCC3(C)CCC3)cs2)CC1,DDDRHQOAHCBTLB-UHFFFAOYSA-N
27580
+ rxn:2:120702:133952,CC(C)C1C(F)(F)C12CCC(NCC(C)(C)S(=O)(=O)c1ccn(C)n1)CC2,VBPOIAVRLJAVEZ-UHFFFAOYSA-N
27581
+ rxn:2:120734:69927,CN1CCC2(C1)Oc1ccccc1C2CNCCN(C)C1CCS(=O)(=O)CC1,PXZZYCHTZGHPOW-UHFFFAOYSA-N
27582
+ rxn:2:120784:133491,CCOCC1CCN(c2ccccc2NC(c2ccccc2)C(C)N2CCC(CC)CC2)CC1,XTDGXFNNFFIANT-UHFFFAOYSA-N
27583
+ rxn:2:121104:152317,CC(NC(C)(C)CCc1n[nH]c(C2CCCC2)n1)c1ccc(OCc2ccccc2)c2c1=CCC(=O)N=2,GQAWXBAWHUSFAT-UHFFFAOYSA-N
27584
+ rxn:2:121236:142905,CN1CCC(C2(C3(CNCC(c4ccc5[nH]c(=O)[nH]c5c4)N(C)C)CC3)COC2)C1,OGCRDTSDDQIKBF-UHFFFAOYSA-N
27585
+ rxn:2:122111:82250,CN(C1CCSC1)C1(CNC2C[C@@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)CCSCC1,MBKUIUYGIYHKOS-RJPLPAITSA-N
27586
+ rxn:2:122548:84015,CN(C1CC1)C1(CNC2CC3CC[C@@]2(CS(=O)(=O)[O-])C3(C)C)Cc2ccccc2C1,PJKRAPOGXIJOEQ-HQOBLLPJSA-M
27587
+ rxn:2:123001:167563,CCc1[nH]c(=O)[nH]c1C(NCC1(N2CCCC2CN(C)C)CCN(C)C1)c1ccncc1,QVFJEVFKWGUWPA-UHFFFAOYSA-N
27588
+ rxn:2:123036:126122,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccc(CN2CCC2)cc1)C1CCC1,XWAABSVZXDNPLY-UHFFFAOYSA-N
27589
+ rxn:2:123472:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(C1CC1)N(C)C1CCN(C)CC1,ZIFQZUWSZBTMTM-UHFFFAOYSA-N
27590
+ rxn:2:123682:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCC(CC13CC4CC(CC(C4)C1)C3)C1CC1)C2,MHRSUXBOOYHKLN-FQFCGISBSA-M
27591
+ rxn:2:123700:139138,Cc1ccccc1C(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)N1CCCC1,GKAJENIITXAHEG-UHFFFAOYSA-M
27592
+ rxn:2:123768:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCCN1CCCC1C13CC4CC(CC(C4)C1)C3)C2,ASGKJDXUXFHXGI-UHFFFAOYSA-M
27593
+ rxn:2:123768:84015,CC1(C)C2CC[C@]1(CS(=O)(=O)[O-])C(NCCN1CCCC1C13CC4CC(CC(C4)C1)C3)C2,ASGKJDXUXFHXGI-LCQLUTKYSA-M
27594
+ rxn:2:123990:143605,CC(NCCO[Si]12OCCN(CCO1)CCO2)c1ccc(S(=O)(=O)C2CCCCC2)s1,HMSLSBVUXMQDKF-UHFFFAOYSA-N
27595
+ rxn:2:125090:84594,CN(C1CCC(NC2CCN(C3CCCCC3)CC2)CC1)C(C)(C)C,CYIGKHBMSWNCJL-UHFFFAOYSA-N
27596
+ rxn:2:125722:154947,CCc1ccc(N2CCC(OC)CC2)c(NC(CN2CCC(N(C)C)CC2)c2c[nH]c3ccccc23)c1,KQLXCUHJNRIPAO-UHFFFAOYSA-N
27597
+ rxn:2:126410:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NOCCCN1CCN(C)CC1,CBJYBKDNPWULGI-UHFFFAOYSA-N
27598
+ rxn:2:126889:81549,CC(CCc1csc(C2CCN(C)CC2)n1)Nc1ccc(OCCN2CCCC2)nc1,GABKQHGRQNYTKD-UHFFFAOYSA-N
27599
+ rxn:2:127654:83490,CCCC(C(NC1CCN(OC)CC1)c1ccc2c(c1)CCO2)N1CCCC1,SFQQKUCWZCFTID-UHFFFAOYSA-N
27600
+ rxn:2:127680:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)N[C@H](CN(C)C)C1CCOCC1,YXNHGBCWVPHDQL-VZDHWGDASA-N
27601
+ rxn:2:128281:132855,CCC(C)N1CC(NC2CCN(OC)CC2)CC(c2cccc(C)c2)C1,ATKLMMKPWJMLDO-UHFFFAOYSA-N
27602
+ rxn:2:128556:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3c(N4CCCCC4)c(=O)[nH]c(=O)n3C)C2(F)F)nc1,BXTDTTVAUUAGKA-UHFFFAOYSA-N
27603
+ rxn:2:128963:143973,O=S1(=O)CCC(F)(CNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1,AFXHAESYRSIEQS-UHFFFAOYSA-N
27604
+ rxn:2:128987:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cc(C2CCC2)nn1C(C)C1CCC1,WHHHINFBGDHYQF-UHFFFAOYSA-N
27605
+ rxn:2:129505:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)Nc1ncccc1CN1CCC(N(C)C)CC1,MSWFKJYBMVTGSJ-UHFFFAOYSA-N
27606
+ rxn:2:129802:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)Nc1cncnc1OC1CCCCC1N(C)C,QWYDHJYUQFNYIR-UHFFFAOYSA-N
27607
+ rxn:2:130033:130197,CCC(Nc1ccc(OCCN2CCOCC2)cn1)c1ccc(N2CCN(C)CC2)nc1C,HXNFWJKPOZBCPS-UHFFFAOYSA-N
27608
+ rxn:2:131193:73038,CCC(Nc1ccc(N2CCC(OC)CC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,NHVWMOUDJVJBLH-UHFFFAOYSA-N
27609
+ rxn:2:132135:144850,CCC1CCN(Cc2cc(NC(C)c3csc(-c4cnc(N5CCOCC5)nc4)c3)ccc2OC)CC1,KIFQLMDCVRUGHI-UHFFFAOYSA-N
27610
+ rxn:2:132135:149021,CCC1CCN(Cc2cc(NC(C)c3sccc3-c3cc(N4CCOCC4)ncn3)ccc2OC)CC1,YVNDCACVMSKJMF-UHFFFAOYSA-N
27611
+ rxn:2:132135:151487,CCC1CCN(Cc2cc(NC(C)c3sccc3-c3cnc(N4CCOCC4)nc3)ccc2OC)CC1,YUQFGVFATXDYQQ-UHFFFAOYSA-N
27612
+ rxn:2:132135:157570,CCC1CCN(Cc2cc(NC(C)c3ccc(-c4csc(N5CCOCC5)n4)cn3)ccc2OC)CC1,KKLMHDDKXHIOFB-UHFFFAOYSA-N
27613
+ rxn:2:132135:69140,CCC1CCN(Cc2cc(NC(CN(C)C(C)C)c3ccc(C)s3)ccc2OC)CC1,VQNSTVOTPYNSND-UHFFFAOYSA-N
27614
+ rxn:2:132135:97172,CCCC(Nc1ccc(OC)c(CN2CCC(CC)CC2)c1)C1CCCN(c2cnccn2)C1,JRCQTNLSSHWUNY-UHFFFAOYSA-N
27615
+ rxn:2:132240:139138,CCc1ccccc1N1CCC(ONC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,ZFKNBMNWMNUJEV-UHFFFAOYSA-M
27616
+ rxn:2:132243:161479,CC(CCC1(c2ccc3[nH]c(=O)[nH]c3c2)COC1)NCc1ccnc(N2CCC(N(C)C)CC2)c1,BIIGKHGYXWOQDI-UHFFFAOYSA-N
27617
+ rxn:2:132288:85031,CCCOC1CCCN(C2CCCCC2NC(c2ccccc2C2CC2)C2(C)CC2)C1,AETVIWBVBSGYQD-UHFFFAOYSA-N
27618
+ rxn:2:132608:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c(C2CCC2)c(C2CC2)nn1C1CCC1,JLNFRQMYTLPTOO-UHFFFAOYSA-N
27619
+ rxn:2:132988:138743,CN(C)C1CCCC(NC2CCN(C(C)(C)C)C2)CC1,ZEMLNOVQGOPUFG-UHFFFAOYSA-N
27620
+ rxn:2:133124:143973,Cc1cccc(OC2CCN(C)CC2)c1CNC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,AMWCCZSTNSNHQQ-UHFFFAOYSA-N
27621
+ rxn:2:133599:152720,CC(NCC1(N(C)C2CCOCC2)CCN(C)CC1)c1sccc1-c1ccc2n[nH]c(=O)n2c1,MTCPKWMCJRIXFX-UHFFFAOYSA-N
27622
+ rxn:2:133599:162543,CC(NCC1(N(C)C2CCOCC2)CCN(C)CC1)c1sccc1-c1cccc2c(=O)[nH][nH]c12,WOJULCOKUXYFMX-UHFFFAOYSA-N
27623
+ rxn:2:133891:136737,CCOCC1CCN(c2ccc(NC3CCC(N4CCCOCC4)CC3)cc2)CC1,MZSBQVHWZGHFIK-UHFFFAOYSA-N
27624
+ rxn:2:134021:139138,Cc1ccc(C2CCN(CCCNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CC2)cc1,VUIRFIQVTSTVAL-UHFFFAOYSA-M
27625
+ rxn:2:134913:143973,COc1cc(C2CCN(C)CC2)c(C)cc1NC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,KZZXMBVGZHNSOM-UHFFFAOYSA-N
27626
+ rxn:2:135170:163379,Cc1ccc2c(c1)C(Nc1cnn(S(=O)(=O)C3CCCC3)c1)C(CN1CCN(C)CC1)CCO2,UNNGEWAYAKZWEG-UHFFFAOYSA-N
27627
+ rxn:2:135309:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(C)(C1CC1)N1CCC(N(C)C)CC1,PBWNYJHLFFCLCC-UHFFFAOYSA-N
27628
+ rxn:2:135699:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1(CN2CCOCC2)CCCCC1,LHLLCOTTWVCRCL-UHFFFAOYSA-N
27629
+ rxn:2:135784:139138,CCC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2,CPJXSVFNWCLFDH-UHFFFAOYSA-M
27630
+ rxn:2:136147:139138,Cc1cccc(OCC2(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CCCCN2C)c1,BEUSTKMXVSPORK-UHFFFAOYSA-M
27631
+ rxn:2:136737:70978,CCOCC1CCN(c2ccc(NC3CCCCC3N3CCN(C(C)CC)CC3)cc2)CC1,AKSHIKNQVAKNGQ-UHFFFAOYSA-N
27632
+ rxn:2:137849:153416,CC(CN(C)Cc1ccc2[nH]c(=O)[nH]c2c1)NC1CCCN(c2ccc(C3CCOCC3)nn2)C1,HOWMUTAUKSGZEV-UHFFFAOYSA-N
27633
+ rxn:2:137912:136205,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CCSC(C)CC3)C2)nn1,TXEZAKPLHQDYDE-RWTQZSSNSA-N
27634
+ rxn:2:138126:137912,CC(=O)c1cn([C@H]2C[C@H](CSC(C)NCC(F)(F)CN3CCCSCC3)C2)nn1,URZUWDIXHJIAJB-ATBAIXNZSA-N
27635
+ rxn:2:138501:126600,Cc1ccc(C(C)NCc2cn(C3CCN(C)CC3)nc2C2CCC2)c(OS(=O)(=O)F)c1,NDWGVDRXRZTAAL-UHFFFAOYSA-N
27636
+ rxn:2:138588:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c2c(nn1C1CCOCC1)CCN(C)C2,JZBMHMPAOOACSN-UHFFFAOYSA-N
27637
+ rxn:2:140012:143818,COC1CCOC2(CCN(CCCNC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)C2)C1,KPQDCFTZLBSTGU-UHFFFAOYSA-N
27638
+ rxn:2:140012:165003,CCC1(c2cnc[nH]2)Cc2ccccc2C1NCCCN1CCC2(CC(OC)CCO2)C1,BIVJMAVSLMGESZ-UHFFFAOYSA-N
27639
+ rxn:2:140219:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCOCC2)nc1C1CCCC1,DIOSQTIPYKIGPX-UHFFFAOYSA-N
27640
+ rxn:2:140794:83224,CCS(=O)(=O)CC1(CNC2CCC(C)(C)[C@]34CC[C@H](C3)C(C)(C)[C@@H]24)CC1,RJZIYDCLEINOGX-ZFBYCHQPSA-N
27641
+ rxn:2:140873:105068,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCN(C2CCC2)CC1,VJGIXDRZJLBQIU-UHFFFAOYSA-N
27642
+ rxn:2:140873:84782,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCN(C2CCCC2)CC1,CFSUNYYQPFCZQH-UHFFFAOYSA-N
27643
+ rxn:2:141166:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC[C@@H]1OCC3(CC3)c3sccc31)C2,CWQWFHKFZWTYLN-JLUMCWCFSA-M
27644
+ rxn:2:141267:73038,CCC(Nc1ccc(C2(OC)CCOCC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,SIWZIOJUTYDYKG-UHFFFAOYSA-N
27645
+ rxn:2:141584:139138,CN(CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(CC(C3)C1)C2)C1CC1,ZVLWEOLLFDRDQI-UHFFFAOYSA-M
27646
+ rxn:2:142171:143818,CC1CCCN(c2cc3c(cc2NC(C)CC(c2ccc4[nH]c(=O)[nH]c4c2)N(C)C)OCCO3)C1,PACYLCULFBSBRR-UHFFFAOYSA-N
27647
+ rxn:2:144363:114498,CCC(CN1CCC(N(C)C)CC1)NC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCO1,OCIGZEYFWVZULL-UHFFFAOYSA-N
27648
+ rxn:2:154310:114498,CCC(CN1CCC(N(C)C)CC1)NC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCO1,ZDFBPMZLAARYQE-UHFFFAOYSA-N
27649
+ rxn:2:159744:87172,CN1CCC(N(C)CC(Nc2cc3[nH]c(=O)[nH]c3cc2N2CCOCC2)c2cccn2C)CC1,MXQOBFDNIVRPRR-UHFFFAOYSA-N
27650
+ rxn:2:164268:114498,CCC(CN1CCC(N(C)C)CC1)Nc1cc(CC(C)C)nn1-c1cnccc1OC,NPDOHYSRUBUXDI-UHFFFAOYSA-N
27651
+ rxn:2:66209:104426,CN(C)C1CCCC(NC2CCCN(C(C)(C)C)C2)C1,QYQLWKBOVHYOFU-UHFFFAOYSA-N
27652
+ rxn:2:66209:71969,CN(C)C(NC1CCCN(C(C)(C)C)C1)C1CCCC1,NRBOJJVURWBTBO-UHFFFAOYSA-N
27653
+ rxn:2:66580:88564,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])(C1CC1)n1[nH]c(=O)ccc1=O,SCOGNPCZNYCTOI-UHFFFAOYSA-M
27654
+ rxn:2:67023:139138,CN1CCC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C(N2CCc3ccccc3C2)C1,RUXFTZDILPYEQU-UHFFFAOYSA-M
27655
+ rxn:2:67638:84594,CN(C1CCC(NC2CCC(N3CCC3)C2)CC1)C(C)(C)C,BOMDTJJJVCTENY-UHFFFAOYSA-N
27656
+ rxn:2:67736:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccc(C#CC2CC2)cc1,KBVPHAIRFDGQRL-UHFFFAOYSA-M
27657
+ rxn:2:68132:78034,CN(C)C1CCC(NC2CCCN(C(C)(C)C)CC2)C1,FKFBYOGQIGPOHH-UHFFFAOYSA-N
27658
+ rxn:2:68409:136737,CCOCC1CCN(c2ccc(NC3CC[Si]4(CCCC4)CC3)cc2)CC1,OMNGEXLDCYSXKH-UHFFFAOYSA-N
27659
+ rxn:2:68897:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)Nc1cnccc1OC1(CC(C)C)COC1,LMTLGMVCUZQWQP-UHFFFAOYSA-N
27660
+ rxn:2:69035:149130,CCc1nc2cc(C(CCN3CCCCC3)Nc3ccc(N4CCC(N(C)C)CC4)cc3OC)ccc2[nH]1,AIHXPTMJONSPPI-UHFFFAOYSA-N
27661
+ rxn:2:69035:149999,COCc1cc(N2CCC(Nc3ccc(N4CCC(N(C)C)CC4)cc3OC)CC2)nc(-c2cccnc2)n1,OJZBPNWIFSSBLL-UHFFFAOYSA-N
27662
+ rxn:2:69035:160256,CCc1nc(-c2ccncc2)cc(N2CCC(Nc3ccc(N4CCC(N(C)C)CC4)cc3OC)CC2)n1,ZZOUODARGHCQAF-UHFFFAOYSA-N
27663
+ rxn:2:69491:88564,COc1ccc(C(CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])N2CCCCCC2)cc1,HKAIOUQUVQPOIR-UHFFFAOYSA-M
27664
+ rxn:2:69554:139138,Cc1ccccc1C(C)N1CCCC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C1,SSPOVIZHVDISEF-UHFFFAOYSA-M
27665
+ rxn:2:69933:126600,Cc1ccc(C(C)NCCCC2CCCN(C)CC2)c(OS(=O)(=O)F)c1,NENABAYHMLQIED-UHFFFAOYSA-N
27666
+ rxn:2:70683:140659,COCc1cc(OS(=O)(=O)F)ccc1NC1CCC2(CC1)CS(=O)(=O)C2,XWPLDKQEZGYBLV-UHFFFAOYSA-N
27667
+ rxn:2:70685:82390,CC(CC1C2CC3CC(C2)CC1C3)CC(C)(C)NC1CC(S(=O)(=O)F)C1,UZXRAKXKJFASKB-UHFFFAOYSA-N
27668
+ rxn:2:70837:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC13CCC(CC1)CC3)C2,QVGREPFQIKCSEO-UHFFFAOYSA-M
27669
+ rxn:2:71242:136518,CCC(Nc1cc2c(cc1N1CCOCC1)OCO2)C1CCC(OC)CC1,BHTJGARNPUFXFM-UHFFFAOYSA-N
27670
+ rxn:2:71576:131618,CN(C1CCC1)C(C)(C)CNC1CCC(C2CCCC2)CC1,FPPHHUDZLDZWJL-UHFFFAOYSA-N
27671
+ rxn:2:71576:139679,CN(C1CCC1)C(C)(C)CNC1CCC(C2CC2)CC1,XDEDQIHAVYFDHA-UHFFFAOYSA-N
27672
+ rxn:2:71576:96396,CN(C1CCC1)C(C)(C)CNC1CC(C2CCCC2)C1,JOXLEXKPPRWCAX-UHFFFAOYSA-N
27673
+ rxn:2:71988:90505,CCn1ncc(C(CN2CCOCC2)Nc2cccnc2OCC2CCN(C)CC2)c1C,VBYVPLOCVPKDQD-UHFFFAOYSA-N
27674
+ rxn:2:72010:91059,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCCCN3CC4CCC(F)(F)C4C3)C2)nn1,RIYBYOVXZCDMMP-BJAQTKEGSA-N
27675
+ rxn:2:72198:88564,CC(C)C(C#CC1CC1)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],MXGOSZHZYIOGQM-UHFFFAOYSA-M
27676
+ rxn:2:72247:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cc(CC2CCC2)nn1CC1CCCC1,ORXNPVMWADHHKU-UHFFFAOYSA-N
27677
+ rxn:2:72309:84594,CN(C1CCC(NC2CC3CCCC32)CC1)C(C)(C)C,UWZXAOAUMZWWIR-UHFFFAOYSA-N
27678
+ rxn:2:72687:73038,CCC(Nc1ccc(N2CCC(COC)CC2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,KMBRZCIWUMXXBV-UHFFFAOYSA-N
27679
+ rxn:2:72763:125295,CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]1NC1CC(CS(=O)(=O)F)C1,VTOKSFLJEKSMRO-TYUFSLCMSA-N
27680
+ rxn:2:72860:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cc2c(c(CN3CCCCC3)c1)OCOC2,OPTXDCMLHVAQDA-UHFFFAOYSA-N
27681
+ rxn:2:73120:120955,CCCOS(=O)(=O)c1cccc(NC2CCN(C3CC(F)(F)C3)CC2)c1,FOQPJBTUPKLMIW-UHFFFAOYSA-N
27682
+ rxn:2:73305:98213,CC1CCN(C2(CNC3CC4CCCC(C3)N4CCn3cccn3)CCS(=O)(=O)CC2)C1,NMVABUMIEDZNCY-UHFFFAOYSA-N
27683
+ rxn:2:73467:142905,CN1CCC(C(N(C)C)C2(NCC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)CC2)CC1,WXJOVOYJQRLFEA-UHFFFAOYSA-N
27684
+ rxn:2:73519:114983,CCc1nn(C2CCN(C)CC2)cc1CNC(COCC1CCOC1)c1cccn1C,CZXAPTDTWYPCDU-UHFFFAOYSA-N
27685
+ rxn:2:73534:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cn(CC2CCCC2)nc1CC1CCCC1,KBVBADHVKDFYBY-UHFFFAOYSA-N
27686
+ rxn:2:73779:150247,CC(NCC1(N2CCC(N(C)C)CC2)CCN(C)C1)c1ccc(-c2ccc3n[nH]c(=O)n3c2)s1,CEQYYQFKKQOADR-UHFFFAOYSA-N
27687
+ rxn:2:73911:77349,CCOc1ccc(C(CS(C)(=O)=O)NOC[C@@H]2[C@@H]3CCC#CCC[C@@H]32)cc1,HPQXJYJPYJNTEG-CWNQJQRUSA-N
27688
+ rxn:2:74339:140873,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCCN1C1CCCC1,JCQDQHRPOWGVGN-UHFFFAOYSA-N
27689
+ rxn:2:74482:139138,CC1CCCN(C(C)(Cc2ccsc2)NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C1,OSDPEPZKFSMTKZ-UHFFFAOYSA-M
27690
+ rxn:2:74583:84594,CN(C1CCC(NC2CC(C3CCCC3)C2)CC1)C(C)(C)C,YPMZRKZHVMPFFA-UHFFFAOYSA-N
27691
+ rxn:2:74683:130197,CCC(Nc1cnccc1OCCN1CCCCC1)c1ccc(N2CCN(C)CC2)nc1C,AECLGDPSWRRACT-UHFFFAOYSA-N
27692
+ rxn:2:74888:159511,CCC(NCC(C1CCOC1)N1CCC(N(C)C)CC1)c1cccc(-c2ccc3[nH]c(=O)[nH]c3c2)c1,PNIKIEVGJQNNTJ-UHFFFAOYSA-N
27693
+ rxn:2:74945:126600,Cc1ccc(C(C)NOCCC2CCCCN2C2CCCCC2)c(OS(=O)(=O)F)c1,OWHPRXPFBZAMFW-UHFFFAOYSA-N
27694
+ rxn:2:75029:139138,Cc1cccc(C(CN2CCC(C)CC2)NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c1,RXCBYIVLYNCJDB-UHFFFAOYSA-M
27695
+ rxn:2:75604:117066,COCCOC1CCCCCC1NC(C)c1ccc(OS(=O)(=O)[O-])cc1,XUVOGGFKZRJBCS-UHFFFAOYSA-M
27696
+ rxn:2:76179:149985,CO[C@H]1CC[C@@H](CCCNC(c2ccccc2)c2cnc(N3CCOCC3)cc2C)CC1,SGKRERQSSUODPP-PAZKDMBFSA-N
27697
+ rxn:2:76179:71784,CCc1ccccc1N1CCC(NCCC[C@H]2CC[C@@H](OC)CC2)CC1,DJYLIWGOPUEPHS-IQGASKDCSA-N
27698
+ rxn:2:76532:111009,COC1CCOC2(CCN(CCCNC(c3ccccn3)c3c(C)cccc3C)CC2)C1,NGZWWUQUUVGGQP-UHFFFAOYSA-N
27699
+ rxn:2:76532:129639,COC1CCOC2(CCN(CCCNC(c3ccccn3)C(C)(C)C)CC2)C1,AETJMKBXLRUPEQ-UHFFFAOYSA-N
27700
+ rxn:2:76532:134609,COC1CCOC2(CCN(CCCNC(Cc3ccccn3)c3ccoc3C)CC2)C1,FPJSACDSVGGAQB-UHFFFAOYSA-N
27701
+ rxn:2:76532:143065,COC1CCOC2(CCN(CCCNC(c3ccccn3)c3ccccc3-c3c(C)cnn3C)CC2)C1,ZFTVLQUEYODIHX-UHFFFAOYSA-N
27702
+ rxn:2:76532:143818,COC1CCOC2(CCN(CCCNC(C)CC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)CC2)C1,YEPOQZAXNYUKQD-UHFFFAOYSA-N
27703
+ rxn:2:76532:144920,COC1CCOC2(CCN(CCCNC(C)c3c(-c4cccc(OC(C)C)c4)cn[nH]c3=O)CC2)C1,QWXCWBUAEOJBKW-UHFFFAOYSA-N
27704
+ rxn:2:76532:148591,COC1CCOC2(CCN(CCCNC(c3cc(C)ccn3)c3ccccc3C)CC2)C1,ZUXJJQHNHCCIIX-UHFFFAOYSA-N
27705
+ rxn:2:76532:152445,CCc1ccc(C(NCCCN2CCC3(CC2)CC(OC)CCO3)c2cnccc2C)cc1,FAHRRLHNLGOIEI-UHFFFAOYSA-N
27706
+ rxn:2:76532:153078,CCC(NCCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(N2CCCc3ccccc32)nc1,IMFHOPKAPKBFLW-UHFFFAOYSA-N
27707
+ rxn:2:76569:144192,CCOc1ccc(C(C#CN2CCCC2)Nc2ccc(N3CC(N(C)C)C3)nc2)cc1C,AGNUKXDQMOKHOI-UHFFFAOYSA-N
27708
+ rxn:2:77066:139138,Cc1cc(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)ccc1OC1COC1,BKJVMPMDLLYMMA-UHFFFAOYSA-M
27709
+ rxn:2:77349:79791,CSc1ccc(C(CS(C)(=O)=O)NOC[C@@H]2[C@@H]3CCC#CCC[C@@H]32)cc1,VMOFKSBRZMCNOY-RKZNWXTNSA-N
27710
+ rxn:2:77649:105145,CCC(Nc1cccnc1OCC1CCN(C)C1)c1ccc(N2CCC3(CC2)CC3)cc1,UDFBYLYFJSCMAL-UHFFFAOYSA-N
27711
+ rxn:2:78105:104192,Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC1CC(C[Si](C)(C)C)C12CCC2,SQYJDPLLLQLPDR-YBXZHIRMSA-N
27712
+ rxn:2:78136:139138,CC(C)(F)C1(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,CNDHENRLJMUFCE-UHFFFAOYSA-M
27713
+ rxn:2:78137:96642,CCCC(Nc1cc(OC)ccc1N1CCOCC1)C1CCN(C2CC2)CC1,MSKQNNMOWXYUGG-UHFFFAOYSA-N
27714
+ rxn:2:78984:127654,CCCC(C(NC1CCN(OC)CC1)c1cccc(C)c1)N1CCCC1,MEYLXDKOCKMTNR-UHFFFAOYSA-N
27715
+ rxn:2:79020:127654,CCCC(C(NC1CCN(OC)CC1)c1ccccc1C)N1CCCC1,ZUQYAJWCTRALLZ-UHFFFAOYSA-N
27716
+ rxn:2:79124:122138,C=C=CC(NCC1(S(=O)(=O)C2CCCC2)COC1)c1ccccc1OC,CMHJCXBCWBBTFK-UHFFFAOYSA-N
27717
+ rxn:2:79530:171582,CCCC(C(Nc1ccc(OC)cc1N1CCCC1)c1ccc2c(c1)CCCC2)N1CCCC1,OJEOEUGPMGSQKN-UHFFFAOYSA-N
27718
+ rxn:2:79800:115744,COc1ccccc1C1(N2CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC2)CC1,MAEFTWFBHBTKGB-UHFFFAOYSA-N
27719
+ rxn:2:79835:125295,CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2[C@H](C1)[C@H]2NC1CC(CS(=O)(=O)F)C1,SXNNOFUBHGWIIU-UEJRTQLPSA-N
27720
+ rxn:2:80030:130197,CCC(Nc1ccc(OCC2(CC)CCCC2)nc1)c1ccc(N2CCN(C)CC2)nc1C,AUBYIGUREABJKM-UHFFFAOYSA-N
27721
+ rxn:2:80030:153615,CCc1ccc2[nH]c(N3CCCCC3)c(C(C)Nc3ccc(OCC4(CC)CCCC4)nc3)c2c1,NAMFFIBKYVTNES-UHFFFAOYSA-N
27722
+ rxn:2:80075:90864,CC1(C)CC(NCCS(=O)(=O)CC2CC2)CC2(C)C3CCC2(C)CC31,PYDVSQLCLHTLDR-UHFFFAOYSA-N
27723
+ rxn:2:80091:114541,CCS(=O)(=O)c1ccc(C(C)NCCN2CC(COC)C3(CCC3)C2)cc1,DJUAOSRAWKYNQA-UHFFFAOYSA-N
27724
+ rxn:2:80298:161893,Cc1c2c(nn1COCC[Si](C)(C)C)C(Nn1ccc3nc(N4CCOCC4)ncc3c1=O)CC2,QUQGUGKMVCAFJY-UHFFFAOYSA-N
27725
+ rxn:2:80561:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c(C2CC2)cnn1C(C)C1CCCOC1,HMIVUKKIUFPVNU-UHFFFAOYSA-N
27726
+ rxn:2:80662:133375,COc1ccc(C(NC[C@H]2[C@@H]3CCCCCC[C@@H]32)C(C)S(C)(=O)=O)cc1,PMRMQHYKIWPHAO-RXGCQVOBSA-N
27727
+ rxn:2:81199:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1c(C2CCC2)c(C2(C)CC2)nn1C1CCC1,VFKBJSAHLFBLAD-UHFFFAOYSA-N
27728
+ rxn:2:81311:139138,CC1CCCN(Cc2ccc(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)cc2)C1,ZGSFORFFIHVQNF-UHFFFAOYSA-M
27729
+ rxn:2:82688:113527,CCc1cc(C(CC2=NCCO2)NCc2ccnc(N3CCC(N(C)C)CC3)n2)ccc1OC,AYIUNZFGDCHKPS-UHFFFAOYSA-N
27730
+ rxn:2:82769:139138,Cc1cccc(CN2CCC(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CC2)c1,MGVNDRWWKBNAAY-UHFFFAOYSA-M
27731
+ rxn:2:82979:113378,CCSc1ccc(C(C#CN2CCCC2)NOCC2CCN(C3CCS(=O)(=O)C3)CC2)cc1,SMLHUZPVRSJMMR-UHFFFAOYSA-N
27732
+ rxn:2:83028:143973,CC(CN1CCC(N(C)C)CC1)NC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,HXEBNJJKOWRBMG-UHFFFAOYSA-N
27733
+ rxn:2:83224:140794,CCS(=O)(=O)CC1(CNC2CCC(C)(C)[C@]34CC[C@H](C3)C(C)(C)[C@@H]24)CC1,RJZIYDCLEINOGX-ZFBYCHQPSA-N
27734
+ rxn:2:83774:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cn(CC2CCCCC2)nc1C1CCC1,LEGPMTBZKCXDJY-UHFFFAOYSA-N
27735
+ rxn:2:83988:74747,CC(C)CC(NC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C1C2CC3CC(C2)CC1C3,DKSUASAADWRQOR-FPBLOMPZSA-M
27736
+ rxn:2:84015:103254,CC(NC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)C12CC3CC(C)(CC(C)(C3)C1)C2,OYNCGXVHEYWFQJ-CNSYHDBWSA-M
27737
+ rxn:2:84015:140904,CC(COC12CC3CC(CC(C3)C1)C2)NC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C,UVRKJHCHJJEYEP-LBPSWVDYSA-M
27738
+ rxn:2:84015:82390,CC(CC1C2CC3CC(C2)CC1C3)CC(C)(C)NC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C,XGHRDNIOHIIELN-UTRZUSEOSA-M
27739
+ rxn:2:84128:157499,CO[C@@H]1CN2CCC[C@]2(CNC2c3cc(C)ccc3N=C3C2CCN3c2ccccc2)C1,IKZOPHXCNRMCBU-GVJADEFVSA-N
27740
+ rxn:2:84594:105280,CN(C1CCC(N[C@H]2[C@@H]3CCCCC[C@@H]32)CC1)C(C)(C)C,OFFUZXQIAZQCGJ-JREVHRFXSA-N
27741
+ rxn:2:84594:124151,CN(C1CCC(NC2CCCCC2C2CC2)CC1)C(C)(C)C,IWNUKBIDXKNBDH-UHFFFAOYSA-N
27742
+ rxn:2:84594:130069,CN(C1CCC(NC2CC(N3CCCC3)C2)CC1)C(C)(C)C,PQPKFPXOKJFKAX-UHFFFAOYSA-N
27743
+ rxn:2:84594:140286,CN(C1CCC(NC2CCC3CC3C2)CC1)C(C)(C)C,KTHXYVFSAGRGOW-UHFFFAOYSA-N
27744
+ rxn:2:84594:90073,CN(C1CCC(NC2CC3CCCC3C2)CC1)C(C)(C)C,VKVKMMHFJTUJST-UHFFFAOYSA-N
27745
+ rxn:2:84594:90692,CN(C1CCC(NC2CCC(C3CCCC3)CC2)CC1)C(C)(C)C,FOIDIRGMUCDBHZ-UHFFFAOYSA-N
27746
+ rxn:2:84594:91957,CN(C1CCC(NC2CCN(C(C3CC3)C3CC3)C2)CC1)C(C)(C)C,LJBFGXWXELZGQY-UHFFFAOYSA-N
27747
+ rxn:2:84594:94305,CN(C1CCC(NC2C3CCCCC32)CC1)C(C)(C)C,KUNMRPSZCGRLSV-UHFFFAOYSA-N
27748
+ rxn:2:84594:98184,CN(C1CCC(NC2CCC(C3CC3)C2)CC1)C(C)(C)C,JJEDXFRJJXJLPD-UHFFFAOYSA-N
27749
+ rxn:2:84782:122520,CCCC(Nc1ccc(C2(OC)COC2)cc1)C1CCN(C2CCCC2)CC1,OQCWKHHZQBVVQY-UHFFFAOYSA-N
27750
+ rxn:2:84782:140873,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCN(C2CCCC2)CC1,CFSUNYYQPFCZQH-UHFFFAOYSA-N
27751
+ rxn:2:85111:140873,CCCC(NC1CCN(c2ccccc2COC)CC1)C1CCCN(C2CC2)C1,QAZHOGVJYRZWPN-UHFFFAOYSA-N
27752
+ rxn:2:85181:122520,CCCC(Nc1ccc(C2(OC)COC2)cc1)C1CCCN1C1CCC1,WMEDDTCINTVLSE-UHFFFAOYSA-N
27753
+ rxn:2:85236:149407,CN1CCCC(N(C)Cc2ccc(CNC(CC3=NCCO3)c3ccc4[nH]c(=O)[nH]c4c3)o2)C1,LZIUNXIQZUYNDT-UHFFFAOYSA-N
27754
+ rxn:2:85456:143973,CC1(F)CCN(CCNC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1,GSEHHPGQCYAELT-UHFFFAOYSA-N
27755
+ rxn:2:85477:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC(C1CCOC1)N1CCCC1,RNMPBUJKQXNNLP-UHFFFAOYSA-N
27756
+ rxn:2:85786:136378,CS(=O)(=O)OCCN1CCC(NCC23C4C5C2C2C3C4C52F)CC1,AVIURELIKMQQPT-UHFFFAOYSA-N
27757
+ rxn:2:85786:154391,CC(CCCCn1c(=O)c2nc[nH]c2n(C)c1=O)NCC12C3C4C1C1C2C3C41F,TYWHJVVNZCPHBZ-UHFFFAOYSA-N
27758
+ rxn:2:86107:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1nc2c(c(N3CCOCC3)n1)CCCN2C,HWXFXXZVJQVGLH-UHFFFAOYSA-N
27759
+ rxn:2:86393:143385,COCc1cc(N2CCC(Nc3cc(N4CCC(N(C)C)CC4)ccc3C)CC2)nc(-c2ccncc2)n1,YOXNQMZNZXIARR-UHFFFAOYSA-N
27760
+ rxn:2:86717:156199,CCS(=O)(=O)n1cc(-c2ccc3c(c2)CCC3NC2CCN(C3CCC(C(C)(C)C)CC3)CC2)cn1,HEJUCNMSOLDCQD-UHFFFAOYSA-N
27761
+ rxn:2:86963:143818,CCOC1(CNC(C)CC(c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)CCCOCC1,HBLRPJZVGBHHLF-UHFFFAOYSA-N
27762
+ rxn:2:87082:139138,Cc1ccc(C(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)N2CCCN(C)CC2)cc1,VGQPMBVKMLPKCI-UHFFFAOYSA-M
27763
+ rxn:2:87172:159744,CN1CCC(N(C)CC(Nc2cc3[nH]c(=O)[nH]c3cc2N2CCOCC2)c2cccn2C)CC1,MXQOBFDNIVRPRR-UHFFFAOYSA-N
27764
+ rxn:2:87262:141967,CC1(C)C(C[Si](C)(C)C)CC1N[C@H]1C[C@@H](N2CCCC2)C1,SGZSQGNZDTXKNG-HPZPOOBXSA-N
27765
+ rxn:2:87310:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1(CN(C)C)CCOCC1,PNOREMURFKCTHX-UHFFFAOYSA-N
27766
+ rxn:2:87496:122151,CCC(NCCN1CCN(C2CCC2)CC1)c1cccc(S(=O)(=O)F)c1,IDZVSUVQHLNNGE-UHFFFAOYSA-N
27767
+ rxn:2:87496:142064,CCC(NCC1(N2CCCN(C)CC2)CCSC1)c1cccc(S(=O)(=O)F)c1,WYRDPBYPCRKPQE-UHFFFAOYSA-N
27768
+ rxn:2:87906:126600,CO[C@H]1CCN(C2CCC(NC(C)c3ccc(C)cc3OS(=O)(=O)F)CC2)C1,JGUQIZAFXGLAEC-HLYMMOCJSA-N
27769
+ rxn:2:87986:130197,CCC(Nc1ccc(OCCN2CCCCC2)nc1)c1ccc(N2CCN(C)CC2)nc1C,XADGINJRZBRKJR-UHFFFAOYSA-N
27770
+ rxn:2:88040:139138,Cc1ccccc1C1(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CCOCC1,GJZMDUMYDZXIDT-UHFFFAOYSA-M
27771
+ rxn:2:88099:145160,Cc1cc2c(cc1-c1ccc3[nH]c(=O)[nH]c3c1)C(NC1(CN3CCC(N(C)C)CC3)CCCCC1)CC2,KCOSESKGVVZNPH-UHFFFAOYSA-N
27772
+ rxn:2:88099:163163,CCc1[nH]c(=O)[nH]c1C(NC1(CN2CCC(N(C)C)CC2)CCCCC1)c1ccc(-n2ccnc2)cc1,JEZDFSJJOLFXSZ-UHFFFAOYSA-N
27773
+ rxn:2:88287:92468,CCC(NC[C@@]12CCCN1C[C@@H](OC)C2)C1CCN(c2ccccc2)C1,RASJQYAWDRJURL-PLAFWNHUSA-N
27774
+ rxn:2:88564:102457,CC(CCC12CC3CC(CC(C3)C1)C2)(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])C1CC1,ANBNYUMBUGUQLF-UHFFFAOYSA-M
27775
+ rxn:2:88564:122337,CC(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])(Cc1ccsc1)N1CCCCC1,RWSCTDRJJXBTST-UHFFFAOYSA-M
27776
+ rxn:2:88564:136334,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3N[C@H]1CC2CCC1CC2,ARMMCWFNYKJLLV-WGWKAKJXSA-M
27777
+ rxn:2:88564:137559,Cc1cccc(OC2CCOCC2)c1CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],AWNTZEQMAOTSMN-UHFFFAOYSA-M
27778
+ rxn:2:88564:140795,CCC1CCCN(C(CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])c2ccsc2)C1,ADNCGDNRDDKSEV-UHFFFAOYSA-M
27779
+ rxn:2:88564:159168,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3Nc1cc(C2C3CC4CC(C3)CC2C4)cc(=O)[nH]1,OTMDRWUZHOELIP-UHFFFAOYSA-M
27780
+ rxn:2:88564:89182,CC(C)C(CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])N1CC2CC3CC(C2)CC1C3,DANDPNCFZPBIGH-UHFFFAOYSA-M
27781
+ rxn:2:88678:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)Nc1cc(C2CCCC2)nn1C(C)C1CCOC1,UYBLOUUYZPIRTH-UHFFFAOYSA-N
27782
+ rxn:2:88920:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC1(CCC34CC5CC(CC(C5)C3)C4)CCCC1)C2,VPTMALRMBZPOCR-UHFFFAOYSA-M
27783
+ rxn:2:89182:84015,CC(C)C(CNC1CC2CC[C@@]1(CS(=O)(=O)[O-])C2(C)C)N1CC2CC3CC(C2)CC1C3,BRORQDUWMYSLDB-YUKZTPLGSA-M
27784
+ rxn:2:89267:140202,COC1C(NC(C)c2ccc(OS(C)(=O)=O)cc2)COC12CCOCC2,HMQZNWLTZAUHIL-UHFFFAOYSA-N
27785
+ rxn:2:89533:147883,Cc1nc2nc(N3CCOCC3)[nH]c(=O)c2cc1C(C)Nc1ccc(N2CCC(N(C)C)CC2)cc1,HXHUAVJVBXOGEC-UHFFFAOYSA-N
27786
+ rxn:2:89817:124900,CCC(CNC1CCC(S(=O)(=O)CC)CC1)(OC)C12CC3CC(CC(C3)C1)C2,GYJNLJNVGQRUPY-UHFFFAOYSA-N
27787
+ rxn:2:90457:88564,Cc1cccc(OC2CCCCC2)c1CNC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],NHIZTQHFQXZNNM-UHFFFAOYSA-M
27788
+ rxn:2:90478:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(C2CCCCN2C)nc1C1CC1,QYMOZHUOYUALJJ-UHFFFAOYSA-N
27789
+ rxn:2:90507:134221,CCC(Nc1ccccc1N1CCN(CCOC)CC1)c1cnc(N2CCN(C)CC2)cc1C,ICHMQWXNSYFQSP-UHFFFAOYSA-N
27790
+ rxn:2:90901:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC[C@H]1CCCN(C2CC2)[C@@H]1c1cncn1C,HHLXHGNEMQRPIV-YSIIFBSASA-N
27791
+ rxn:2:91059:136205,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCC(F)(F)CN3CCSC(C)CC3)C2)nn1,TXEZAKPLHQDYDE-QKEFKNMBSA-N
27792
+ rxn:2:91059:138126,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCC(F)(F)CN3CCCSCC3)C2)nn1,URZUWDIXHJIAJB-ALOPSCKCSA-N
27793
+ rxn:2:91257:127163,CCc1ccc(C(C#CN2CCCCC2)N[C@H]2CC[C@H](OC)CC2)cc1,RWIWVJZTOMBFGH-UJZSUYIKSA-N
27794
+ rxn:2:91257:96499,CCc1ccc(C(C#CN2CCCCC2)N[C@H]2CC[C@@H](OC)CC2)cc1,RWIWVJZTOMBFGH-AIZNXBIQSA-N
27795
+ rxn:2:91379:147483,Cc1ccc2c(C(C)Nc3ccccc3N3CCC(N(C)C)CC3)c(N3CCCCC3)[nH]c2c1C,ZUCGHLGMZIEJCY-UHFFFAOYSA-N
27796
+ rxn:2:92143:114498,CCC(CN1CCC(N(C)C)CC1)Nc1ccc(N2CCN(CCOC)CC2)nc1,MSTBAWZADWXTEV-UHFFFAOYSA-N
27797
+ rxn:2:92363:96642,CCCC(Nc1ccc(OC)cc1N1CCOCC1)C1CCN(C2CC2)CC1,UOLLOPZJQUIHPJ-UHFFFAOYSA-N
27798
+ rxn:2:92615:105145,CCC(Nc1cccnc1N1CCC(CCOC)CC1)c1ccc(N2CCC3(CC2)CC3)cc1,JERTVXNDYKIZJP-UHFFFAOYSA-N
27799
+ rxn:2:92636:106197,CCS(=O)(=O)C1(CNC2CC3CCC(C2)N3Cc2nccs2)CC2(CC2)C1,ZAQAHEOUOIUWNS-UHFFFAOYSA-N
27800
+ rxn:2:92880:88564,CC(CC12CC3CC(CC(C3)C1)C2)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],ZCVKGXJBJXCZJV-UHFFFAOYSA-M
27801
+ rxn:2:93174:84594,CN(C1CCC(NC2CCN(C3CCCC3)CC2)CC1)C(C)(C)C,ZOGPJJVOGCGZOS-UHFFFAOYSA-N
27802
+ rxn:2:93355:139138,CN(Cc1cccc(C#CCNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c1)C1CCCC1,YQNHLSNRNVHXPW-UHFFFAOYSA-M
27803
+ rxn:2:93577:106485,COCO[C@H]1CC[C@H](NC(CC2=NCCO2)c2cc(OC)ccc2OC)CC1,YCCIZHFKSYGKOS-DBTMUERSSA-N
27804
+ rxn:2:93780:87946,CCC(Nc1ccc(OCCN2CCC(C)CC2)nc1)c1cnc(N2CCCCC2)cc1C,RFRIZRSEAKGYAP-UHFFFAOYSA-N
27805
+ rxn:2:93990:73038,CCC(Nc1ccc(N2CCCC(COC)C2)nc1)c1cnc(N2CCN(CC)CC2)cc1C,ICVFPVCBRKEUPM-UHFFFAOYSA-N
27806
+ rxn:2:94187:139310,CC1CN(c2ccc(C(C)NCC3CC(OS(C)(=O)=O)C3)cc2)CC(C)O1,LTEQZCHQUUNVGE-UHFFFAOYSA-N
27807
+ rxn:2:94196:157499,CO[C@H]1CN2CCC[C@]2(CNC2c3cc(C)ccc3N=C3C2CCN3c2ccccc2)C1,IKZOPHXCNRMCBU-WHRAWCJQSA-N
27808
+ rxn:2:94663:168480,COC1CCCCC12CC(Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)C2,FBSBALMCBMOYAU-UHFFFAOYSA-N
27809
+ rxn:2:94751:97117,CCC(NOCCC1CCN(c2ccccc2C)CC1)C1=NCCCC1,MFEWLQOTCVEIPZ-UHFFFAOYSA-N
27810
+ rxn:2:95048:91059,CC(=O)c1cn([C@H]2C[C@@H](CSC(C)NCCCN3CCC(F)(F)CC3)C2)nn1,DFXWNXBIJWBDNG-ALOPSCKCSA-N
27811
+ rxn:2:95461:139138,CC[C@H](NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccc(OC2CCCC2)cc1,NIRGJWZIROSJNT-LGZXGLGHSA-M
27812
+ rxn:2:95673:99561,CCOC1(CNC(c2cccc(CN3CCC3)c2)C2CC2)CS(=O)(=O)C1,LYMQHBDUXMLBQB-UHFFFAOYSA-N
27813
+ rxn:2:96507:110196,CCOCC1CCN(c2ccc(NC(C)c3sc(CN4CCCCCC4)nc3C3CC3)cn2)CC1,QKBRZMQSDCGSDA-UHFFFAOYSA-N
27814
+ rxn:2:96507:90924,CCOCC1CCN(c2ccc(NC(CN3CCC(CC)CC3)c3ccn(C)c3)cn2)CC1,SLJHVBQFIZCBOV-UHFFFAOYSA-N
27815
+ rxn:2:96512:133744,O=S(=O)(F)c1ccnc(NC2CC3C(C2)C2CN(C4CC4)CC3C2(F)F)c1,KXRQUTFSBLWPOB-UHFFFAOYSA-N
27816
+ rxn:2:96581:171582,CCCC(C(NC1CCN(c2ccc(OC)cn2)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,DQGKJDPYSLQVOG-UHFFFAOYSA-N
27817
+ rxn:2:96710:92979,CCC(Nc1ccc(N2CCC(CCOC)CC2)nc1)C1(c2cc(C)ccc2C)CCN(C)CC1,CPZHRAXMHCMFLI-UHFFFAOYSA-N
27818
+ rxn:2:96737:109467,Cc1c(C(C)NCC2(N(C)C3CC3)CN3CCC2CC3)[nH]c(=O)n1C1CC1,PSJFJFDSIGJMEP-UHFFFAOYSA-N
27819
+ rxn:2:97227:114498,CCOCC1CCCN(c2ccc(NC(CC)CN3CCC(N(C)C)CC3)cn2)C1,CTRSBEUEKLVQEV-UHFFFAOYSA-N
27820
+ rxn:2:97227:90924,CCOCC1CCCN(c2ccc(NC(CN3CCC(CC)CC3)c3ccn(C)c3)cn2)C1,KGUCLNIIKKUEMQ-UHFFFAOYSA-N
27821
+ rxn:2:97781:136378,CS(=O)(=O)OCCN1CCC(NCc2cccnc2C2CC(F)(F)C2)CC1,SHDDDGNYUKKCAP-UHFFFAOYSA-N
27822
+ rxn:2:97794:142905,CN1CCC(C(N(C)C)C2(CNCC(c3ccc4[nH]c(=O)[nH]c4c3)N(C)C)CC2)CC1,SRESZPMIMBNQKD-UHFFFAOYSA-N
27823
+ rxn:2:97838:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C12CC(CO1)C2,IKPQSUOVCOLMJR-UHFFFAOYSA-M
27824
+ rxn:2:98093:143973,CCC(CC)N1CCC(NC2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1,FPBJFLDJXHBDFE-UHFFFAOYSA-N
27825
+ rxn:2:98164:155396,CC(=O)c1ccc(C2C(CSC(C)NCC3(S(=O)(=O)C4CCCCC4)CC3)C2(F)F)nc1,NSFBKOABHRVOSS-UHFFFAOYSA-N
27826
+ rxn:2:98771:125295,CC1C2(CCNC3CC(CS(=O)(=O)F)C3)CCC(C2)C1(C)C,UMLMVJRRUWIJSA-UHFFFAOYSA-N
27827
+ rxn:2:99158:139138,CC(C)C12CCC(NC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)C1C2,IMMALLCKBDHOAY-UHFFFAOYSA-M
27828
+ rxn:2:99287:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCC1(N2CCOCC2)CCCC1,QJMFSLYODZSEKN-UHFFFAOYSA-N
27829
+ rxn:2:99456:139138,CC1(c2ccc(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)cc2)CC1,XUTNWDCFWBIHSM-UHFFFAOYSA-M
27830
+ rxn:2:99521:105824,CN(C)C(CNCC12CC(S(C)(=O)=O)(CO1)C2)c1ccc2c(c1)CCCS2,PGZKCPYWQXUSEP-UHFFFAOYSA-N
27831
+ rxn:2:99561:104452,CCOC1(CNC(c2ccc(CN3CCC3)cc2)C2CC2)CS(=O)(=O)C1,GNXRRHIBKTXTMU-UHFFFAOYSA-N