116 SMILES Strings for N-terminal Xaa-Pro-Lys N-methyltransferase 1

Compound Name
SMILES String
N[C@@H](CCN(CC#Cc1cccc(c1)C(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)n1cc(CN(CC[C@H](N)C(O)=O)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)nn1)C(=O)N[C@@H](C)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1CCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](C)C(N)=O |r|
N[C@@H](CCN(CCCN1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1CCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
N[C@@H](CCN(CCCNCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](C)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNCCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](C)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNCCCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](C)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNCCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNCCCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC[C@@H](C(=O)O)N)O)O)N
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNCCCCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](C)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2cccnc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ncccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(Br)c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(F)c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)NCC(N)=O |r|
C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(N)=O |r|
CN([C@@H](CCCNC(N)=N)C(N)=O)C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12 |r|
CN([C@@H](CCCCN)C(N)=O)C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12 |r|
C[C@H](N(C)C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)NCc1nc2ccccc2[nH]1 |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(c1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)Nc1ccccc1C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)Nc1ccccc1 |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
COc1ccc(CC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1 |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(CO)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1CCc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
CC1(CCCN1C(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)c1cccc(NC(=O)Cc2ccc(O)cc2)c1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)c1ccccc1NC(=O)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O |r|
C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(=O)NCC(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(=O)N[C@H](CCNC(N)=N)CC(N)=O |r|
NCCC[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1 |r|
NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
C\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)|
CC(C)(NC(=O)O[C@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wD:7.6,(-.9,2.75,;-.9,1.21,;.43,1.98,;-2.44,1.21,;-3.21,2.54,;-2.44,3.87,;-4.75,2.54,;-5.52,1.21,;-7.06,1.21,;-7.83,-.13,;-7.06,-1.46,;-5.52,-1.46,;-4.75,-.13,;-6.1,.59,;-6.5,-.9,;-.13,-.13,;-.61,-1.59,;.64,-2.5,;1.88,-1.59,;1.41,-.13,;3.37,-1.99,;4.46,-.9,;5.94,-1.3,;6.34,-2.79,;7.83,-3.19,;5.26,-3.87,;3.77,-3.48,)|
CC(C)OC(=O)NC(C)(C)c1csc(n1)-c1ccc(F)cc1
CC(C)(NC(=O)OC1CCCCC1)c1csc(n1)-c1ccc(F)cc1
Cc1nc(cs1)C(C)(C)NC(=O)O[C@@H]1CN2CCC1CC2 |r,wU:13.13,(5.6,-2.68,;4.11,-2.28,;3.64,-.82,;2.1,-.82,;1.62,-2.28,;2.87,-3.19,;1.33,.52,;1.33,2.06,;2.66,1.29,;-.21,.52,;-.98,1.85,;-.21,3.19,;-2.52,1.85,;-3.29,.52,;-4.83,.52,;-5.6,-.82,;-4.83,-2.15,;-3.29,-2.15,;-2.52,-.82,;-3.87,-.1,;-4.27,-1.59,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccccc1 |r,wU:7.6,(-.16,2.75,;-.16,1.21,;1.18,1.98,;-1.7,1.21,;-2.47,2.54,;-1.7,3.87,;-4.01,2.54,;-4.78,1.21,;-6.32,1.21,;-7.09,-.13,;-6.32,-1.46,;-4.78,-1.46,;-4.01,-.13,;-5.36,.59,;-5.75,-.9,;.61,-.13,;.14,-1.59,;1.38,-2.5,;2.63,-1.59,;2.15,-.13,;4.12,-1.99,;5.21,-.9,;6.69,-1.3,;7.09,-2.79,;6.01,-3.87,;4.52,-3.48,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(Cl)cc1 |r,wU:7.6,(-.9,2.75,;-.9,1.21,;.43,1.98,;-2.44,1.21,;-3.21,2.54,;-2.44,3.87,;-4.75,2.54,;-5.52,1.21,;-7.06,1.21,;-7.83,-.13,;-7.06,-1.46,;-5.52,-1.46,;-4.75,-.13,;-6.1,.59,;-6.5,-.9,;-.13,-.13,;-.61,-1.59,;.64,-2.5,;1.88,-1.59,;1.41,-.13,;3.37,-1.99,;4.46,-.9,;5.94,-1.3,;6.34,-2.79,;7.83,-3.19,;5.26,-3.87,;3.77,-3.48,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(Br)cc1 |r,wU:7.6,(-.9,2.75,;-.9,1.21,;.43,1.98,;-2.44,1.21,;-3.21,2.54,;-2.44,3.87,;-4.75,2.54,;-5.52,1.21,;-7.06,1.21,;-7.83,-.13,;-7.06,-1.46,;-5.52,-1.46,;-4.75,-.13,;-6.1,.59,;-6.5,-.9,;-.13,-.13,;-.61,-1.59,;.64,-2.5,;1.88,-1.59,;1.41,-.13,;3.37,-1.99,;4.46,-.9,;5.95,-1.3,;6.34,-2.79,;7.83,-3.19,;5.26,-3.87,;3.77,-3.48,)|
Cc1ccc(cc1)-c1nc(cs1)C(C)(C)NC(=O)O[C@@H]1CN2CCC1CC2 |r,wU:19.20,(7.83,-3.19,;6.34,-2.79,;5.95,-1.3,;4.46,-.9,;3.37,-1.99,;3.77,-3.48,;5.26,-3.87,;1.88,-1.59,;1.41,-.13,;-.13,-.13,;-.61,-1.59,;.64,-2.5,;-.9,1.21,;-.9,2.75,;.43,1.98,;-2.44,1.21,;-3.21,2.54,;-2.44,3.87,;-4.75,2.54,;-5.52,1.21,;-7.06,1.21,;-7.83,-.13,;-7.06,-1.46,;-5.52,-1.46,;-4.75,-.13,;-6.1,.59,;-6.5,-.9,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(cc1)C(F)(F)F |r,wU:7.6,(-1.64,3.15,;-1.64,1.61,;-.31,2.38,;-3.18,1.61,;-3.95,2.94,;-3.18,4.27,;-5.49,2.94,;-6.27,1.61,;-7.81,1.61,;-8.58,.27,;-7.81,-1.06,;-6.27,-1.06,;-5.49,.27,;-6.84,.99,;-7.24,-.5,;-.87,.27,;-1.35,-1.19,;-.1,-2.1,;1.14,-1.19,;.67,.27,;2.63,-1.59,;3.72,-.5,;5.2,-.9,;5.6,-2.39,;4.52,-3.47,;3.03,-3.08,;7.09,-2.79,;8.18,-1.7,;7.49,-4.27,;8.58,-3.19,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(\C=C\C(O)=O)cc1 |r,wU:7.6,(-4.96,3.4,;-4.96,1.86,;-3.63,2.63,;-6.5,1.86,;-7.27,3.19,;-6.5,4.53,;-8.81,3.19,;-9.58,1.86,;-11.12,1.86,;-11.89,.53,;-11.12,-.81,;-9.58,-.81,;-8.81,.53,;-10.16,1.24,;-10.56,-.24,;-4.19,.53,;-4.67,-.94,;-3.42,-1.84,;-2.18,-.94,;-2.65,.53,;-.69,-1.34,;.4,-.25,;1.88,-.65,;2.28,-2.13,;3.77,-2.53,;4.86,-1.44,;6.35,-1.84,;7.43,-.75,;6.74,-3.33,;1.2,-3.22,;-.29,-2.83,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(CCC(O)=O)cc1 |r,wU:7.6,(-4.96,3.4,;-4.96,1.86,;-3.63,2.63,;-6.5,1.86,;-7.27,3.19,;-6.5,4.53,;-8.81,3.19,;-9.58,1.86,;-11.12,1.86,;-11.89,.53,;-11.12,-.81,;-9.58,-.81,;-8.81,.53,;-10.16,1.24,;-10.56,-.24,;-4.19,.53,;-4.67,-.94,;-3.42,-1.84,;-2.18,-.94,;-2.65,.53,;-.69,-1.34,;.4,-.25,;1.88,-.65,;2.28,-2.13,;3.77,-2.53,;4.86,-1.44,;6.35,-1.84,;7.43,-.75,;6.75,-3.34,;1.2,-3.22,;-.29,-2.83,)|
CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1OCCNC(=O)c1ccccc1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)-c1scnc1C |r|
CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1OCCOCCNC(=O)c1ccccc1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)-c1scnc1C |r|
CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1OCCOCCOCCOCCNC(=O)c1ccccc1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)-c1scnc1C
CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(cc1OCCNC(=O)c1ccccc1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)-c1scnc1C |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)Nc1ccccc1C(O)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)NCCc1ccccc1 |r|
CC(C)(NC(=O)O[C@H]1CCCNC1)c1csc(n1)-c1ccc(F)cc1 |r|
CN1CCC[C@@H](C1)OC(=O)NC(C)(C)c1csc(n1)-c1ccc(F)cc1 |r|
CCCN1CCC[C@@H](C1)OC(=O)NC(C)(C)c1csc(n1)-c1ccc(F)cc1 |r|
CC(C)(NC(=O)OCCN1CCCCC1)c1csc(n1)-c1ccc(F)cc1
CC(C)(NC(=O)Oc1cccnc1)c1csc(n1)-c1ccc(F)cc1
CC(C)(NC(=O)N[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-.15,1.49,;-.92,.15,;-1.69,1.49,;-2.26,-.62,;-3.59,.15,;-3.59,1.69,;-4.93,-.62,;-6.26,.15,;-6.26,1.69,;-7.59,2.46,;-8.26,1.49,;-8.26,.36,;-7.59,-.62,;-8.93,.15,;-8.93,1.69,;.41,-.62,;.56,-2.15,;2.05,-2.46,;2.82,-1.13,;1.8,,;4.36,-.97,;5.29,-2.21,;6.77,-2.05,;7.44,-.62,;8.93,-.46,;6.52,.62,;4.98,.46,)|
CC(C)(C(=O)N[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:6.5,(-1.51,3.36,;-2.28,2.03,;-3.05,3.36,;-3.62,1.26,;-4.95,2.03,;-3.62,-.28,;-4.95,-1.05,;-6.28,-.28,;-7.62,-1.05,;-7.11,-2.08,;-6.08,-2.64,;-4.95,-2.59,;-6.28,-3.36,;-7.62,-2.59,;-.95,1.26,;-.8,-.23,;.74,-.59,;1.51,.74,;.49,1.92,;3.05,.9,;3.92,-.33,;5.46,-.18,;6.08,1.26,;7.62,1.41,;5.21,2.49,;3.67,2.33,)|
Fc1ccc(cc1)-c1nc(CNC(=O)O[C@@H]2CN3CCC2CC3)cs1 |r,wU:15.15,(8.93,-.46,;7.44,-.62,;6.77,-2.05,;5.29,-2.21,;4.36,-.98,;4.98,.46,;6.52,.62,;2.82,-1.13,;1.8,,;.41,-.62,;-.92,.15,;-2.26,-.62,;-3.59,.15,;-3.59,1.69,;-4.93,-.62,;-6.26,.15,;-6.26,1.69,;-7.6,2.46,;-8.26,1.49,;-8.26,.36,;-7.6,-.62,;-8.93,.15,;-8.93,1.69,;.56,-2.16,;2.05,-2.46,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(I)n1 |r,wU:7.6,(2.13,1.49,;1.36,.15,;.59,1.49,;.02,-.62,;-1.31,.15,;-1.31,1.69,;-2.64,-.62,;-3.98,.15,;-3.98,1.69,;-5.31,2.46,;-5.98,1.49,;-5.98,.36,;-5.31,-.62,;-6.65,.15,;-6.65,1.69,;2.69,-.62,;2.85,-2.15,;4.34,-2.46,;5.1,-1.13,;6.65,-1.13,;4.08,,)|
CNc1nc(cs1)C(C)(C)NC(=O)O[C@@H]1CN2CCC1CC2 |r,wU:14.14,(7.03,.21,;6.26,-1.13,;4.72,-1.13,;3.69,,;2.31,-.62,;2.46,-2.16,;3.95,-2.46,;.97,.15,;1.74,1.49,;.2,1.49,;-.36,-.62,;-1.69,.15,;-1.69,1.69,;-3.03,-.62,;-4.36,.15,;-4.36,1.69,;-5.7,2.46,;-6.36,1.49,;-6.36,.36,;-5.7,-.62,;-7.03,.15,;-7.03,1.69,)|
CC(C)c1nc(cs1)C(C)(C)NC(=O)O[C@@H]1CN2CCC1CC2 |r,wU:15.15,(7.03,.21,;6.26,-1.13,;7.03,-2.46,;4.72,-1.13,;3.69,,;2.31,-.62,;2.46,-2.15,;3.95,-2.46,;.97,.15,;1.74,1.49,;.2,1.49,;-.36,-.62,;-1.69,.15,;-1.69,1.69,;-3.03,-.62,;-4.36,.15,;-4.36,1.69,;-5.7,2.46,;-6.36,1.49,;-6.36,.36,;-5.7,-.62,;-7.03,.15,;-7.03,1.69,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1cccc2ccccc12 |r,wU:7.6,(.58,2.82,;-.18,1.49,;-.95,2.82,;-1.52,.72,;-2.85,1.49,;-2.85,3.03,;-4.19,.72,;-5.52,1.49,;-5.52,3.03,;-6.86,3.8,;-7.52,2.82,;-7.52,1.7,;-6.86,.72,;-8.19,1.49,;-8.19,3.03,;1.15,.72,;1.3,-.82,;2.79,-1.13,;3.56,.21,;2.53,1.34,;5.1,.21,;5.87,1.54,;7.41,1.54,;8.18,.21,;7.42,-1.12,;8.19,-2.45,;7.43,-3.79,;5.9,-3.8,;5.11,-2.48,;5.88,-1.13,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1cccnc1 |r,wU:7.6,(.59,1.49,;-.18,.16,;-.95,1.49,;-1.51,-.61,;-2.85,.16,;-2.85,1.7,;-4.18,-.61,;-5.52,.16,;-5.52,1.7,;-6.85,2.47,;-7.52,1.49,;-7.52,.36,;-6.85,-.61,;-8.18,.16,;-8.18,1.7,;1.15,-.61,;1.31,-2.15,;2.8,-2.46,;3.57,-1.13,;2.54,0,;5.11,-1.13,;5.88,-2.47,;7.42,-2.46,;8.18,-1.13,;7.41,.21,;5.88,.21,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccccn1 |r,wU:7.6,(.59,1.49,;-.18,.16,;-.95,1.49,;-1.51,-.61,;-2.85,.16,;-2.85,1.7,;-4.18,-.61,;-5.52,.16,;-5.52,1.7,;-6.85,2.47,;-7.52,1.49,;-7.52,.36,;-6.85,-.61,;-8.18,.16,;-8.18,1.7,;1.15,-.61,;1.31,-2.15,;2.8,-2.46,;3.57,-1.13,;2.54,0,;5.11,-1.13,;5.88,-2.47,;7.42,-2.46,;8.18,-1.13,;7.41,.21,;5.88,.21,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccncc1 |r,wU:7.6,(.59,1.49,;-.18,.16,;-.95,1.49,;-1.51,-.61,;-2.85,.16,;-2.85,1.7,;-4.18,-.61,;-5.52,.16,;-5.52,1.7,;-6.85,2.47,;-7.52,1.49,;-7.52,.36,;-6.85,-.61,;-8.18,.16,;-8.18,1.7,;1.15,-.61,;1.31,-2.15,;2.8,-2.46,;3.57,-1.13,;2.54,0,;5.11,-1.13,;5.88,.21,;7.41,.21,;8.18,-1.13,;7.42,-2.46,;5.88,-2.47,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1cncnc1 |r,wU:7.6,(.59,1.49,;-.18,.16,;-.95,1.49,;-1.51,-.61,;-2.85,.16,;-2.85,1.7,;-4.18,-.61,;-5.52,.16,;-5.52,1.7,;-6.85,2.47,;-7.52,1.49,;-7.52,.36,;-6.85,-.61,;-8.18,.16,;-8.18,1.7,;1.15,-.61,;1.31,-2.15,;2.8,-2.46,;3.57,-1.13,;2.54,0,;5.11,-1.13,;5.88,.21,;7.41,.21,;8.18,-1.13,;7.42,-2.46,;5.88,-2.47,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccco1 |r,wU:7.6,(.9,1.49,;.13,.15,;-.64,1.49,;-1.2,-.62,;-2.54,.15,;-2.54,1.69,;-3.87,-.62,;-5.2,.15,;-5.2,1.69,;-6.54,2.46,;-7.21,1.49,;-7.21,.36,;-6.54,-.62,;-7.87,.15,;-7.87,1.69,;1.47,-.62,;1.62,-2.15,;3.11,-2.46,;3.88,-1.13,;2.85,,;5.42,-1.13,;6.19,.21,;7.72,-.14,;7.87,-1.64,;6.45,-2.26,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccoc1 |r,wU:7.6,(.9,1.49,;.13,.15,;-.64,1.49,;-1.2,-.62,;-2.54,.15,;-2.54,1.69,;-3.87,-.62,;-5.2,.15,;-5.2,1.69,;-6.54,2.46,;-7.21,1.49,;-7.21,.36,;-6.54,-.62,;-7.87,.15,;-7.87,1.69,;1.47,-.62,;1.62,-2.16,;3.11,-2.46,;3.88,-1.13,;2.85,,;5.42,-1.13,;6.45,-2.26,;7.87,-1.64,;7.72,-.14,;6.19,.21,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1cccs1 |r,wU:7.6,(.9,1.49,;.13,.15,;-.64,1.49,;-1.2,-.62,;-2.54,.15,;-2.54,1.69,;-3.87,-.62,;-5.2,.15,;-5.2,1.69,;-6.54,2.46,;-7.21,1.49,;-7.21,.36,;-6.54,-.62,;-7.87,.15,;-7.87,1.69,;1.47,-.62,;1.62,-2.15,;3.11,-2.46,;3.88,-1.13,;2.85,,;5.42,-1.13,;6.19,.21,;7.72,-.14,;7.87,-1.64,;6.45,-2.26,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccsc1 |r,wU:7.6,(.9,1.49,;.13,.15,;-.64,1.49,;-1.2,-.62,;-2.54,.15,;-2.54,1.69,;-3.87,-.62,;-5.2,.15,;-5.2,1.69,;-6.54,2.46,;-7.21,1.49,;-7.21,.36,;-6.54,-.62,;-7.87,.15,;-7.87,1.69,;1.47,-.62,;1.62,-2.16,;3.11,-2.46,;3.88,-1.13,;2.85,,;5.42,-1.13,;6.45,-2.26,;7.87,-1.64,;7.72,-.14,;6.19,.21,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)nc1 |r,wU:7.6,(-.18,1.49,;-.95,.16,;-1.72,1.49,;-2.28,-.61,;-3.62,.16,;-3.62,1.7,;-4.95,-.61,;-6.29,.16,;-6.29,1.7,;-7.62,2.47,;-8.29,1.49,;-8.29,.36,;-7.62,-.61,;-8.95,.16,;-8.95,1.7,;.38,-.61,;.54,-2.15,;2.03,-2.46,;2.8,-1.13,;1.77,0,;4.34,-1.13,;5.11,-2.47,;6.65,-2.46,;7.41,-1.13,;8.95,-1.13,;6.64,.21,;5.11,.21,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(N)cc1 |r,wU:7.6,(-.18,1.49,;-.95,.16,;-1.72,1.49,;-2.28,-.61,;-3.62,.16,;-3.62,1.7,;-4.95,-.61,;-6.29,.16,;-6.29,1.7,;-7.62,2.47,;-8.29,1.49,;-8.29,.36,;-7.62,-.61,;-8.95,.16,;-8.95,1.7,;.38,-.61,;.54,-2.15,;2.03,-2.46,;2.8,-1.13,;1.77,0,;4.34,-1.13,;5.11,.21,;6.64,.21,;7.41,-1.13,;8.95,-1.13,;6.65,-2.46,;5.11,-2.47,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(O)cc1 |r,wU:7.6,(-.18,1.49,;-.95,.16,;-1.72,1.49,;-2.28,-.61,;-3.62,.16,;-3.62,1.7,;-4.95,-.61,;-6.29,.16,;-6.29,1.7,;-7.62,2.47,;-8.29,1.49,;-8.29,.36,;-7.62,-.61,;-8.95,.16,;-8.95,1.7,;.38,-.61,;.54,-2.15,;2.03,-2.46,;2.8,-1.13,;1.77,0,;4.34,-1.13,;5.11,.21,;6.64,.21,;7.41,-1.13,;8.95,-1.13,;6.65,-2.46,;5.11,-2.47,)|
COc1ccc(cc1)-c1nc(cs1)C(C)(C)NC(=O)O[C@@H]1CN2CCC1CC2 |r,wU:20.21,(9.34,.21,;8.57,-1.13,;7.03,-1.13,;6.26,.21,;4.72,.21,;3.95,-1.13,;4.72,-2.47,;6.26,-2.46,;2.41,-1.13,;1.38,0,;-0,-.61,;.15,-2.15,;1.64,-2.46,;-1.33,.16,;-.57,1.49,;-2.1,1.49,;-2.67,-.61,;-4,.16,;-4,1.7,;-5.34,-.61,;-6.67,.16,;-6.67,1.7,;-8,2.47,;-8.67,1.49,;-8.67,.36,;-8,-.61,;-9.34,.16,;-9.34,1.7,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(cc1)C(O)=O |r,wU:7.6,(-.57,1.49,;-1.33,.16,;-2.1,1.49,;-2.67,-.61,;-4,.16,;-4,1.7,;-5.34,-.61,;-6.67,.16,;-6.67,1.7,;-8.01,2.47,;-8.67,1.49,;-8.67,.36,;-8.01,-.61,;-9.34,.16,;-9.34,1.7,;-0,-.61,;.15,-2.15,;1.64,-2.46,;2.41,-1.13,;1.38,0,;3.95,-1.13,;4.72,.21,;6.26,.21,;7.03,-1.13,;6.26,-2.46,;4.72,-2.47,;8.57,-1.13,;9.34,-2.46,;9.34,.21,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1cccc(O)c1 |r,wU:7.6,(.59,1.49,;-.18,.16,;-.95,1.49,;-1.51,-.61,;-2.85,.16,;-2.85,1.7,;-4.18,-.61,;-5.52,.16,;-5.52,1.7,;-6.85,2.47,;-7.52,1.49,;-7.52,.36,;-6.85,-.61,;-8.18,.16,;-8.18,1.7,;1.15,-.61,;1.31,-2.15,;2.8,-2.46,;3.57,-1.13,;2.54,0,;5.11,-1.13,;5.88,-2.47,;7.42,-2.46,;8.18,-1.13,;7.41,.21,;8.18,1.54,;5.88,.21,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1cccc(F)c1 |r,wU:7.6,(.59,1.49,;-.18,.16,;-.95,1.49,;-1.51,-.61,;-2.85,.16,;-2.85,1.7,;-4.18,-.61,;-5.52,.16,;-5.52,1.7,;-6.85,2.47,;-7.52,1.49,;-7.52,.36,;-6.85,-.61,;-8.18,.16,;-8.18,1.7,;1.15,-.61,;1.31,-2.15,;2.8,-2.46,;3.57,-1.13,;2.54,0,;5.11,-1.13,;5.88,-2.47,;7.42,-2.46,;8.18,-1.13,;7.41,.21,;8.18,1.54,;5.88,.21,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1cccc(N)c1 |r,wU:7.6,(.59,1.49,;-.18,.16,;-.95,1.49,;-1.51,-.61,;-2.85,.16,;-2.85,1.7,;-4.18,-.61,;-5.52,.16,;-5.52,1.7,;-6.85,2.47,;-7.52,1.49,;-7.52,.36,;-6.85,-.61,;-8.18,.16,;-8.18,1.7,;1.15,-.61,;1.31,-2.15,;2.8,-2.46,;3.57,-1.13,;2.54,0,;5.11,-1.13,;5.88,-2.47,;7.42,-2.46,;8.18,-1.13,;7.41,.21,;8.18,1.54,;5.88,.21,)|
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