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103 SMILES Strings for Beta-chymotrypsin

Compound NameSMILES String
BDBM2581 O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
BDBM2681 CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:9|
BDBM3175 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM12657 CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
BDBM50014731 COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)OC
BDBM50014743 COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F
BDBM50024092 I\C=C1/CC(CC(=O)O1)c1ccccc1
BDBM50024093 I\C=C1\OC(=O)CCC1c1ccccc1
BDBM50025859 CC(=O)NC(Cc1ccccc1)B(O)O
BDBM50025860 OB(O)C(Cc1ccccc1)NC(=O)c1ccccc1
BDBM50025861 FB(F)C(NC(=O)c1ccccc1)c1ccccc1
BDBM50025862 CC(=O)N[C@@H](Cc1ccccc1)B(O)O
BDBM50025863 CC(N)C(=O)N[C@H](B(F)F)c1ccccc1
BDBM50025865 CC(=O)N[C@@H](Cc1ccccc1)B(F)F
BDBM50025866 FB(F)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
BDBM50025868 CC(N)C(=O)NC(Cc1ccccc1)B(F)F
BDBM50025870 FB(F)C(Cc1ccccc1)NC(=O)c1ccccc1
BDBM50025871 CC(=O)NC(Cc1ccccc1)B(F)F
BDBM50025872 OB(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
BDBM50025874 CC(N)C(=O)NC(B(F)F)c1ccccc1
BDBM50025875 CC(N)C(=O)N[C@@H](Cc1ccccc1)B(O)O
BDBM50025877 CC(N)C(=O)N[C@@H](Cc1ccccc1)B(F)F
BDBM50055218 NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
BDBM50069989 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
BDBM50073140 CCCCCCC(NC(=O)c1ccco1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
BDBM50073141 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N
BDBM50073123 CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
BDBM50073125 CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
BDBM50073126 CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCCC
BDBM50073127 CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)C
BDBM50073128 CCCCCCC(NC(=O)OC(C)(C)C)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
BDBM50073129 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)C(C)C
BDBM50073130 CCCCCCCCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
BDBM50073131 CCCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
BDBM50073132 CCCCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
BDBM50073133 CCCCCCC(NC(=O)c1cc(F)cc(F)c1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
BDBM50073134 CCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
BDBM50073135 CCCCCCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
BDBM50073136 CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
BDBM50073137 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1)C#N
BDBM50073138 CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
BDBM50073139 CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N
BDBM50072147 Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
BDBM50075116 Cc1ccccc1C(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1C
BDBM50075117 O=C(CCNC(=O)c1ccccc1)OC(=O)CCNC(=O)c1ccccc1
BDBM50075118 CCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCC)NC(=O)c1ccccc1
BDBM50075104 CCCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCCC)NC(=O)c1ccccc1
BDBM50075105 CCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CC)NC(=O)c1ccccc1
BDBM50075106 CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1
BDBM50075107 CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC
BDBM50075108 CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl
BDBM50075109 CCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCC)NC(=O)c1ccccc1
BDBM50075110 CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1
BDBM50075111 CC(C)(C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)C1CCC=CC1 |c:19,47|
BDBM50075112 CCCCCC(NC(=O)CCC)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCC)NC(=O)CCC
BDBM50075113 CC(C)(CNC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)CNC(=O)c1ccccc1
BDBM50075114 CCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCC)NC(=O)c1ccccc1
BDBM50075115 O=C(CC(CCc1ccccc1)NC(=O)c1ccccc1)OC(=O)CC(CCc1ccccc1)NC(=O)c1ccccc1
BDBM50076819 Nc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
BDBM50093010 CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C1CCCCC1)C(C)C)OCc1ccc2ccccc2c1)C(O)=O
BDBM50111585 Oc1ccc(cc1)N=Nc1ccc(Br)cc1 |w:8.9|
BDBM50111589 [#8-]-[#6](=O)-c1ccccc1\[#6](=[#6]-1\[#6]=[#6](I)-[#6](=O)-[#6](I)=[#6]-1)-c1cc(I)c(-[#8-])c(I)c1 |c:18,t:12|
BDBM50111591 Oc1ccc(cc1O)-c1csc(Nc2ccc(F)cc2F)n1
BDBM50111604 Oc1oc(\C=N\c2ccc(Oc3ccccc3)cc2)c2ccccc12
BDBM50126827 Oc1c(ccc2ccccc12)N=Nc1ccc(c2ccccc12)S([O-])(=O)=O |w:11.12|
BDBM50126829 CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)C=Cc3ccccc3)c2O)c1O |w:26.26,c:16|
BDBM50126635 Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1
BDBM50139459 CC(=O)N[C@H](CS)Cc1ccccc1
BDBM50139460 SC[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1
BDBM50139461 OC[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
BDBM50139462 SC[C@H](Cc1ccccc1)NC(=O)c1ccccc1
BDBM50139463 SC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
BDBM50139464 OC[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1
BDBM50139465 SC[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
BDBM50137733 CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)NC1CC1
BDBM50142275 CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1
BDBM50142276 CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1
BDBM50142284 CCCCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)C1Cc2cc3OCCOc3cc2S(=O)(=O)N1CC
BDBM50152755 CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)OC)C(C)(C)C)C(=O)C(=O)NC1CC1
BDBM50152753 CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)CC)C(C)(C)C)C(=O)C(=O)NC1CC1
BDBM50152752 CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC1
BDBM50152754 CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1
BDBM50152748 CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)CC
BDBM50152750 CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1CC2CCCC2[C@H]1C(=O)NC(CC(F)F)C(=O)C(=O)NC1CC1
BDBM50152751 CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
BDBM50175075 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C(=O)OCCCCO |w:10.11|
BDBM50187800 CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1
BDBM50284625 BrC[C@H]1OC(=O)[C@@H]1Cc1ccccc1
BDBM50023867 Oc1[nH]c2ccccc2c1C1=Nc2ccccc2C1=O |t:12|
BDBM50310357 O=C1C(Nc2ccccc12)=C1Nc2ccccc2C1=O |w:2.2|
BDBM50403613 COC(=O)CN1CC(Cc2ccccc2)(NC(=O)c2ccccc2)C1=O
BDBM50410995 NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 |r|
BDBM50437992 COC(=O)c1nn(C(=O)c2cccc(C)c2)c2cc(ccc12)[N+]([O-])=O
BDBM50437993 CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)C3CC3)cc12
BDBM50437994 CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)CC)cc12
BDBM50437995 CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(C)=O)cc12
BDBM50437996 CCOC(=O)c1nn(C(=O)c2ccsc2)c2ccc(cc12)[N+]([O-])=O
BDBM50437997 CCOC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccc(cc12)[N+]([O-])=O
BDBM50437998 CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(cc12)[N+]([O-])=O
BDBM50437999 COC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(cc12)[N+]([O-])=O
BDBM50438000 COC(=O)c1nn(C(=O)c2ccccc2)c2ccc(cc12)[N+]([O-])=O
BDBM50437991 Cc1cccc(c1)C(=O)n1nc(C#N)c2ccccc12