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149 SMILES Strings for Myosin light chain kinase, smooth muscle

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM3033 Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12
BDBM3034 COc1ccc2n(C)c3c(c4C(=O)NCc4c4c5cc(OC)ccc5n(CCC#N)c34)c2c1
BDBM3035 Cn1c2ccc(O)cc2c2c3C(=O)NCc3c3c4cc(O)ccc4n(CCC#N)c3c12
BDBM3036 CN(C)CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
BDBM3037 COc1ccc2[nH]c3c(c4C(=O)NCc4c4c5cc(OC)ccc5n(CCCN(C)C)c34)c2c1
BDBM3038 CN(C)CCCn1c2ccc(O)cc2c2c3CNC(=O)c3c3c4cc(O)ccc4[nH]c3c12
BDBM3039 CN(C)CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12
BDBM3040 Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN)c3c12
BDBM3041 CN(C)CC(O)Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12
BDBM3042 COc1ccc2n(C)c3c(c4C(=O)NCc4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1
BDBM3043 Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CCC#N)c3c12
BDBM3044 COc1ccc2n(CCC#N)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(C)c34)c2c1
BDBM3045 COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CCC#N)c34)c2c1
BDBM3046 COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5cc(OC)ccc5n(CCC#N)c34)c2c1
BDBM3047 COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CCCC#N)c34)c2c1
BDBM3048 CN(C)CC(O)Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(C)c3c12
BDBM3049 COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM2581 O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM6760 COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15234 [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM15210 CNCCNS(=O)(=O)c1cccc2cnccc12
BDBM15211 Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM50015072 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1C[C@H](O)CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015038 CC(C)[C@@H](CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO
BDBM50015039 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)OCc1ccccc1
BDBM50015040 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015041 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCCc1ccccc1
BDBM50015042 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
BDBM50015043 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015044 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)\C=C\[C@@H](C)COCc1ccccc1
BDBM50015045 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015046 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)\C=C\C=C\c1ccccc1
BDBM50015047 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015048 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015049 CC(C)[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015050 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015051 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015052 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)\C=C/[C@@H](C)COCc1ccccc1
BDBM50015053 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)OCc1ccccc1
BDBM50015054 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015055 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015056 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015057 CC(C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015058 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015059 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015060 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015061 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@H](CCCCc1ccccc1)Cc1ccccc1
BDBM50015062 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)\C=C\[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015063 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015064 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccccc1
BDBM50015065 CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015066 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)OCc1ccccc1
BDBM50015067 CSCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015068 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015069 CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015070 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015071 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015073 CCCCOC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(C)C
BDBM50015074 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015075 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015076 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015077 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCCCCc1ccccc1
BDBM50015078 CC(C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015079 CC(C)[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015080 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCC(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015081 CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(CCCc1ccccc1)CCCc1ccccc1
BDBM50015082 CC(C)[C@H](\C=C\[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccccc1
BDBM50015083 CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50015084 CC(C)[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](N)CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)OCc1ccccc1
BDBM50015085 C[C@@H](O)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
BDBM50058332 CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
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BDBM50074635 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
BDBM50074636 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50074637 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50074638 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
BDBM50074639 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
BDBM50074641 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
BDBM50074642 CC[C@@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50074643 C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50074644 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
BDBM50074645 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
BDBM50074646 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(CC1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O |wU:61.68,20.27,40.46,5.5,79.81,wD:49.59,70.77,9.16,(31.03,-1.52,;31.03,-3.06,;29.7,-3.83,;29.7,-5.37,;28.37,-6.14,;28.37,-7.68,;27.04,-8.45,;25.7,-7.68,;25.7,-6.14,;24.37,-8.45,;24.37,-9.99,;25.7,-10.76,;25.7,-12.3,;27.04,-13.07,;27.04,-14.61,;28.37,-15.38,;25.7,-15.38,;23.03,-7.68,;21.7,-8.45,;21.7,-9.99,;20.37,-7.68,;20.37,-6.14,;21.7,-5.37,;21.7,-3.83,;23.03,-3.06,;23.03,-1.52,;21.7,-.75,;24.37,-.75,;19.04,-8.45,;17.71,-7.68,;17.71,-6.14,;16.22,-8.08,;15.4,-9.39,;13.86,-9.32,;13.16,-7.96,;13.98,-6.66,;15.52,-6.73,;11.83,-7.19,;10.48,-7.96,;10.48,-9.5,;9.15,-7.19,;9.15,-5.65,;10.48,-4.88,;10.48,-3.34,;11.83,-2.57,;11.83,-1.03,;7.82,-7.96,;6.49,-7.19,;6.49,-5.65,;5.16,-7.96,;5.16,-9.5,;6.49,-10.27,;6.49,-11.81,;7.82,-12.58,;9.15,-11.81,;10.48,-12.58,;9.15,-10.25,;7.82,-9.5,;3.83,-7.19,;2.48,-7.96,;2.48,-9.5,;1.15,-7.19,;1.15,-5.65,;2.48,-4.88,;2.48,-3.34,;3.83,-2.57,;3.83,-1.03,;-.19,-7.96,;-1.52,-7.19,;-1.52,-5.65,;-2.85,-7.96,;-2.85,-9.5,;-1.52,-10.27,;-1.52,-11.81,;-.19,-12.58,;-.19,-14.12,;-4.18,-7.19,;-5.52,-7.96,;-5.52,-9.5,;-6.85,-7.19,;-8.21,-7.96,;-6.85,-5.65,;-5.52,-4.88,;-5.52,-3.34,;-4.18,-2.57,;-4.18,-1.03,;-5.52,-.26,;-2.85,-.26,;29.7,-8.45,;31.03,-7.68,;29.7,-9.99,)|
BDBM50074647 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(CC1)NC(=O)[C@H](CCCCN)NC(=O)C1CCC(CC1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O |wU:58.65,40.46,20.27,5.5,76.78,wD:67.74,9.16,(32.77,1.28,;32.77,-.26,;31.44,-1.03,;31.44,-2.57,;30.11,-3.34,;30.11,-4.88,;28.78,-5.65,;27.44,-4.88,;27.44,-3.34,;26.11,-5.65,;26.11,-7.19,;27.44,-7.96,;27.44,-9.5,;28.78,-10.27,;28.78,-11.81,;30.11,-12.58,;27.44,-12.58,;24.76,-4.88,;23.43,-5.65,;23.43,-7.19,;22.1,-4.88,;22.1,-3.34,;23.43,-2.57,;23.43,-1.03,;24.76,-.26,;24.76,1.28,;23.43,2.05,;26.11,2.05,;20.77,-5.65,;19.44,-4.88,;19.44,-3.34,;18.11,-5.65,;17.34,-4.32,;15.8,-4.32,;15.03,-5.67,;15.8,-6.98,;17.34,-6.98,;13.7,-4.91,;12.37,-5.68,;12.37,-7.22,;11.04,-4.91,;11.04,-3.37,;12.37,-2.6,;12.37,-1.06,;13.7,-.29,;13.7,1.25,;9.71,-5.68,;8.38,-4.91,;8.38,-3.37,;6.89,-5.3,;6.14,-6.63,;4.6,-6.66,;3.81,-5.33,;4.56,-3.99,;6.11,-3.97,;2.48,-4.56,;1.15,-5.33,;1.15,-6.87,;-.18,-4.56,;-.18,-3.02,;1.15,-2.25,;1.15,-.71,;2.48,.06,;2.48,1.6,;-1.52,-5.33,;-2.85,-4.56,;-2.85,-3.02,;-4.19,-5.33,;-4.19,-6.87,;-2.85,-7.64,;-2.85,-9.18,;-1.52,-9.95,;-1.52,-11.49,;-5.52,-4.56,;-6.85,-5.33,;-6.85,-6.87,;-8.18,-4.56,;-9.51,-5.33,;-8.18,-3.02,;-6.85,-2.25,;-6.85,-.71,;-5.52,.06,;-5.52,1.6,;-6.85,2.37,;-4.19,2.37,;31.44,-5.65,;32.77,-4.88,;31.44,-7.19,)|
BDBM50074648 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(CC1)NC(=O)C1CCC(CC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O |wU:61.69,20.27,5.5,79.82,wD:70.78,49.60,9.16,(33.23,-1.96,;33.23,-3.49,;31.89,-4.25,;31.89,-5.77,;30.55,-6.54,;30.55,-8.06,;29.19,-8.82,;27.85,-8.06,;27.85,-6.54,;26.49,-8.82,;26.49,-10.35,;27.85,-11.1,;27.85,-12.63,;29.19,-13.4,;29.19,-14.93,;30.55,-15.68,;27.85,-15.68,;25.15,-8.06,;23.79,-8.82,;23.79,-10.35,;22.46,-8.06,;22.46,-6.54,;23.79,-5.77,;23.79,-4.25,;25.15,-3.49,;25.15,-1.96,;23.79,-1.19,;26.49,-1.19,;21.1,-8.82,;19.74,-8.06,;19.74,-6.54,;18.24,-8.46,;17.42,-9.74,;15.87,-9.67,;15.14,-8.31,;15.99,-7.03,;17.54,-7.1,;13.81,-7.56,;12.46,-8.31,;12.46,-9.84,;11.12,-7.56,;10.28,-8.85,;8.73,-8.77,;8,-7.43,;8.84,-6.13,;10.4,-6.21,;6.67,-8.19,;5.31,-7.43,;5.31,-5.91,;3.97,-8.19,;3.97,-9.72,;5.31,-10.49,;6.67,-9.72,;8,-10.47,;8,-12.01,;9.36,-12.77,;6.66,-12.77,;5.31,-12.01,;2.62,-7.43,;1.26,-8.19,;1.26,-9.72,;-.09,-7.43,;-.09,-5.91,;1.26,-5.14,;1.26,-3.62,;2.62,-2.86,;2.62,-1.34,;-1.43,-8.19,;-2.78,-7.43,;-2.78,-5.91,;-4.13,-8.19,;-4.13,-9.72,;-2.78,-10.49,;-2.78,-12.01,;-1.43,-12.77,;-1.43,-14.3,;-5.47,-7.43,;-6.85,-8.19,;-6.85,-9.72,;-8.18,-7.43,;-9.53,-8.19,;-8.18,-5.91,;-6.85,-5.14,;-6.85,-3.62,;-5.47,-2.86,;-5.47,-1.34,;-6.85,-.57,;-4.13,-.57,;31.89,-8.82,;33.23,-8.06,;31.89,-10.35,)|
BDBM50074649 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
BDBM50074650 CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50074651 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
BDBM50074652 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
BDBM50074653 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCC(CC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O |wU:64.72,20.27,5.5,82.85,wD:52.63,31.40,73.81,9.16,(30.96,-1.28,;30.96,-2.82,;29.63,-3.59,;29.63,-5.13,;28.29,-5.9,;28.29,-7.44,;26.96,-8.21,;25.62,-7.44,;25.62,-5.9,;24.29,-8.21,;24.29,-9.75,;25.62,-10.52,;25.62,-12.06,;26.96,-12.83,;26.96,-14.37,;28.29,-15.14,;25.62,-15.14,;22.96,-7.44,;21.63,-8.21,;21.63,-9.75,;20.28,-7.44,;20.28,-5.9,;21.63,-5.13,;21.63,-3.59,;22.96,-2.82,;22.96,-1.28,;21.63,-.51,;24.29,-.51,;18.93,-8.21,;17.62,-7.44,;17.62,-5.9,;16.29,-8.21,;16.29,-9.75,;17.06,-11.08,;16.26,-12.4,;17.03,-13.73,;18.56,-13.73,;19.32,-15.07,;19.33,-12.4,;18.57,-11.08,;14.96,-7.44,;13.63,-8.21,;13.63,-9.75,;12.3,-7.45,;11.53,-8.78,;10.01,-8.78,;9.22,-7.45,;9.99,-6.12,;11.53,-6.11,;7.89,-8.22,;6.56,-7.45,;6.56,-5.91,;5.23,-8.22,;5.23,-9.76,;6.56,-10.53,;7.89,-9.76,;9.22,-10.53,;9.22,-12.07,;10.55,-12.84,;7.89,-12.84,;6.56,-12.07,;3.9,-7.45,;2.57,-8.22,;2.57,-9.76,;1.24,-7.45,;1.24,-5.91,;2.57,-5.14,;2.57,-3.6,;3.9,-2.83,;3.9,-1.29,;-.11,-8.22,;-1.44,-7.45,;-1.44,-5.91,;-2.78,-8.22,;-2.78,-9.76,;-1.44,-10.53,;-1.44,-12.07,;-.11,-12.84,;-.11,-14.38,;-4.11,-7.45,;-5.44,-8.22,;-5.44,-9.76,;-6.77,-7.45,;-8.11,-8.22,;-6.77,-5.91,;-5.44,-5.14,;-5.44,-3.6,;-4.11,-2.83,;-4.11,-1.29,;-5.44,-.52,;-2.78,-.52,;29.63,-8.21,;30.96,-7.44,;29.63,-9.75,)|
BDBM50074654 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
BDBM50074655 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
BDBM50074656 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)C1CCC(CC1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O |wU:61.68,43.49,20.27,5.5,79.81,wD:31.40,70.77,9.16,(30.71,-1.45,;30.71,-2.99,;29.38,-3.76,;29.38,-5.3,;28.05,-6.07,;28.05,-7.59,;26.72,-8.38,;25.39,-7.59,;25.39,-6.07,;24.06,-8.38,;24.06,-9.92,;25.39,-10.69,;25.39,-12.23,;26.72,-13,;26.72,-14.54,;28.05,-15.31,;25.39,-15.31,;22.71,-7.59,;21.38,-8.38,;21.38,-9.92,;20.05,-7.59,;20.05,-6.07,;21.38,-5.3,;21.38,-3.76,;22.71,-2.99,;22.71,-1.45,;21.38,-.68,;24.06,-.68,;18.72,-8.38,;17.38,-7.59,;17.38,-6.07,;16.05,-8.38,;16.05,-9.92,;17.13,-11,;18.6,-10.6,;19.7,-11.67,;19.3,-13.18,;20.39,-14.26,;17.81,-13.56,;16.73,-12.48,;14.71,-7.59,;13.38,-8.38,;13.38,-9.92,;12.05,-7.59,;12.05,-6.07,;13.38,-5.3,;13.38,-3.76,;14.71,-2.99,;14.71,-1.45,;10.72,-8.38,;9.39,-7.59,;9.39,-6.07,;7.89,-8.01,;7.12,-6.68,;5.58,-6.68,;4.83,-8.03,;5.61,-9.36,;7.15,-9.34,;3.5,-7.26,;2.15,-8.03,;2.15,-9.57,;.82,-7.26,;.82,-5.72,;2.15,-4.95,;2.15,-3.41,;3.5,-2.64,;3.5,-1.1,;-.51,-8.03,;-1.84,-7.26,;-1.84,-5.72,;-3.17,-8.03,;-3.17,-9.57,;-1.84,-10.34,;-1.84,-11.88,;-.51,-12.65,;-.51,-14.19,;-4.5,-7.26,;-5.85,-8.03,;-5.85,-9.57,;-7.18,-7.26,;-8.51,-8.03,;-7.18,-5.72,;-5.85,-4.95,;-5.85,-3.41,;-4.5,-2.64,;-4.5,-1.1,;-5.85,-.33,;-3.17,-.33,;29.38,-8.38,;30.71,-7.59,;29.38,-9.92,)|
BDBM50074657 NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50108799 COc1ccc(cc1)S(=O)(=O)N(CCO)c1ccccc1CN(C)C\C=C\c1ccc(Cl)cc1
BDBM50108800 N=c1cc2CCc3ccccc3-c2nn1CCCCCCCCCCC(=O)N1CCN(CC1)c1ncccn1
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50280867 CN1Cc2c(C1=O)c1c3ccccc3n(C)c1c1n(CCC#N)c3ccccc3c21
BDBM50280868 OCC(O)Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
BDBM50280869 CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12
BDBM50280870 Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CC(F)F)c3c12
BDBM50280871 Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN=[N+]=[N-])c3c12
BDBM50280873 CCn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12
BDBM50280874 OC(=O)CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
BDBM50280875 NC(=O)CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
BDBM50280876 Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
BDBM50280877 O=C1NCc2c1c1c3ccccc3[nH]c1c1n(CCC#N)c3ccccc3c21
BDBM50280878 Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12
BDBM50280879 CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(CC)c3c12
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50366348 C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 |r|
BDBM50369485 [#6]-[#6@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O