1010 SMILES Strings for Prolyl endopeptidase

Compound Name
SMILES String
Brc1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Brc1ccc(cc1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Brc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Brc1cccc2c(ccnc12)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|
C(OCc1c(COCc2ccccc2)c(c(COCc2ccccc2)c(COCc2ccccc2)c1-c1ccc(OCc2ccccc2)cc1)-c1ccc(OCc2ccccc2)cc1)c1ccccc1
C=C1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
CC#CCn1c(nc2n(C)c(=O)n(CC3=NC4C=CC=CC4C(C)=N3)c(=O)c12)N1CCC[C@@H](N)C1 |r,c:17,19,24,t:14|
CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(CO)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12 |r|
CC(=O)CCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
CC(=O)N1CC(C1)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC(=O)NCC(=O)N1CCC[C@H]1B(O)O
CC(=O)Nc1ccc(C(=O)N2CCCC2)c(F)c1
CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2B(O)O)c(F)c1 |r|
CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2C#N)c(F)c1 |r|
CC(=O)Nc1ccc(C(=O)N2C[C@@H](F)C[C@H]2C#N)c(F)c1 |r|
CC(=O)Nc1ccc(cc1)C(=O)N1CCCC1
CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H]1B(O)O |r|
CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H]1C#N |r|
CC(=O)Nc1ccc(cc1)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|
CC(=O)Nc1cccc(OP(=O)(Oc2cccc(NC(C)=O)c2)C2CCCN2C(=O)C2CCC[NH2+]2)c1
CC(=O)OC1=C(C(=O)C(OC(C)=O)=C(C1=O)c1ccc(O)cc1)c1ccc(O)cc1 |c:12,t:4|
CC(=O)OC1Oc2c(O1)c(-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c(OC(C)=O)c(OC(C)=O)c2-c1ccc(O[Si](C)(C)C(C)(C)C)cc1
CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(C)=O)c(O)c1-c1ccc(O)cc1
CC(=O)Oc1c(OC(C)=O)c(c(O)c(O)c1-c1ccc(O)cc1)-c1ccc(O)cc1
CC(=O)Oc1c(OC(C)=O)c(c2OCOc2c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)-c1ccc(O[Si](C)(C)C(C)(C)C)cc1
CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(C)=O)c2oc3cc(O)c(O)cc3c12
CC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
CC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
CC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)CO
CC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
CC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C#N
CC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)CO
CC(=O)c1cc(OCC(F)(F)F)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
CC(=O)c1cc(OCCc2ccc(F)cc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
CC(=O)c1cc(OCCc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
CC(=O)c1cc(OCc2cc(F)cc(F)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
CC(=O)c1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
CC(=O)c1cc(OCc2ccc(Cl)cc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
CC(=O)c1cc(OCc2ccc(F)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
CC(=O)c1cc(OCc2ccc(F)c(F)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
CC(=O)c1cc(OCc2ccc(F)cc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
CC(=O)c1cc(OCc2ccc(F)cc2)c(=O)n2[C@@H](CCc12)C(=O)n1cccc1 |r|
CC(=O)c1cc(OCc2ccc(cc2)C#N)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
CC(=O)c1cc(OCc2ccc(cc2)C(F)(F)F)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
CC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1B(O)O
CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1 |r|
CC(C)(C)OC(=O)N1C2CCC(C2)[C@@H]1C(=O)N1CCCC1
CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CC2CCCC2C1 |wD:14.16,(11.16,-17.66,;11.18,-16.12,;9.83,-15.34,;12.65,-16.52,;12.51,-15.35,;12.51,-13.81,;13.84,-13.04,;11.18,-13.04,;9.85,-13.8,;8.52,-13.04,;8.52,-11.5,;9.85,-10.72,;9.06,-12.05,;10.55,-11.64,;11.18,-11.5,;12.51,-10.73,;13.84,-11.51,;12.51,-9.19,;13.77,-8.29,;13.28,-6.81,;13.75,-5.35,;12.51,-4.46,;11.28,-5.37,;11.76,-6.82,;11.28,-8.28,)|
CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CC=CC1 |wD:14.16,c:21,(11.27,-16.99,;11.28,-15.45,;9.94,-14.68,;12.76,-15.85,;12.61,-14.68,;12.61,-13.14,;13.94,-12.37,;11.28,-12.37,;9.95,-13.14,;8.62,-12.37,;8.62,-10.83,;9.95,-10.06,;9.17,-11.39,;10.65,-10.97,;11.28,-10.83,;12.61,-10.06,;13.94,-10.83,;12.62,-8.52,;13.87,-7.61,;13.39,-6.14,;11.86,-6.14,;11.39,-7.61,)|
CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CCCC1 |wD:14.16,(10.06,-15.21,;11.39,-15.99,;12.88,-16.39,;11.39,-17.53,;12.72,-15.22,;12.72,-13.68,;14.05,-12.91,;11.39,-12.91,;10.06,-13.67,;8.73,-12.91,;8.73,-11.37,;10.06,-10.59,;9.29,-11.92,;10.76,-11.51,;11.39,-11.37,;12.72,-10.6,;14.05,-11.37,;12.74,-9.06,;11.5,-8.15,;11.98,-6.68,;13.49,-6.67,;13.98,-8.15,)|
CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CCSC1 |wD:14.16,(11.41,-17.05,;11.41,-15.5,;10.07,-14.73,;12.9,-15.9,;12.75,-14.73,;12.75,-13.19,;14.08,-12.42,;11.41,-12.42,;10.08,-13.19,;8.75,-12.42,;8.75,-10.88,;10.08,-10.1,;9.3,-11.44,;10.78,-11.03,;11.41,-10.88,;12.75,-10.1,;14.08,-10.89,;12.76,-8.56,;14.01,-7.67,;13.53,-6.18,;12,-6.19,;11.52,-7.65,)|
CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:14.16,(10.06,-15.21,;11.39,-15.99,;12.88,-16.39,;11.39,-17.53,;12.72,-15.22,;12.72,-13.68,;14.05,-12.91,;11.39,-12.91,;10.06,-13.67,;8.73,-12.91,;8.73,-11.37,;10.06,-10.59,;9.29,-11.92,;10.76,-11.51,;11.39,-11.37,;12.72,-10.6,;14.05,-11.37,;12.74,-9.06,;11.5,-8.15,;11.98,-6.68,;13.49,-6.67,;13.98,-8.15,)|
CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1ccc(F)c(c1)C(F)(F)F)c2=O |r|
CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1nccc(c1Cl)C(F)(F)F)c2=O |r|
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
CC(C)(C)OC(=O)N1CCN(CC1)c1cn(CC(=O)NCC(=O)N2CCC[C@H]2C#N)nn1 |r|
CC(C)(C)OC(=O)N1CCN(Cc2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)CC1 |r|
CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)N1CC2CCC1CC2 |wU:8.7,13.14,(8.87,-10.03,;7.78,-8.94,;7,-10.27,;7.02,-7.59,;9.32,-8.94,;10.1,-7.61,;11.64,-7.63,;9.34,-6.28,;7.89,-5.81,;6.56,-6.56,;5.23,-5.81,;5.23,-4.28,;6.54,-3.51,;7.89,-4.27,;9.32,-3.79,;10.24,-5.05,;11.78,-5.05,;12.55,-6.38,;12.55,-3.71,;13.88,-2.95,;13.88,-1.41,;12.74,-2.94,;11.98,-1.61,;11.22,-2.95,;11.22,-1.41,;12.55,-.64,)|
CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)N1CCC1
CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)N1CCCCC1
CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)N1CCCCCC1
CC(C)(C)OC(=O)NCCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
CC(C)(C)OC(=O)NCc1cn(nn1)[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N
CC(C)(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
CC(C)(C)[C@H]1CC[C@H](N1C(=O)CCCc1ccccc1)C(=O)N1CCCC1
CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C1=C2OCOC2=C(C(=O)C1=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 |c:15,21|
CC(C)(C)c1ccc(COc2cc(c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)S(=O)(=O)c2ccccc2)cc1 |r|
CC(C)(C)c1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
CC(C)(C)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC(C)(C)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC(C)(CC(=O)N1CCCC1C(=O)N1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCCC1
CC(C)(CC(=O)N1CCC[C@H]1C(=O)C1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
CC(C)(CC(=O)N1CCC[C@H]1C(=O)C1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)CO
CC(C)(CC(=O)N1CCC[C@H]1C(=O)N1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCCC1
CC(C)(CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N)CC(=O)N1CCCCCC1
CC(C)(F)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)(F)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC(C)(NC(=O)CCCc1ccccc1)C(=O)N1CCCC1
CC(C)C(=O)N(C)CC(=O)N1CCC[C@H]1B(O)O
CC(C)C(=O)NCC(=O)N1CCC[C@H]1B(O)O
CC(C)C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
CC(C)C(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C#N
CC(C)C(NC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)NC(=O)CSc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
CC(C)CC(=O)NCC(=O)N1CCC[C@H]1C#N |r|
CC(C)CCN(CC(=O)N1CCC[C@H]1C#N)C(=O)c1ccnc2ccccc12 |r|
CC(C)CN1CC(C(=O)N2CCCC2)n2c(C1)nn(Cc1ccc(C)cc1)c2=O
CC(C)CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1nccc(c1Cl)C(F)(F)F)c2=O |r|
CC(C)C[C@H](N)C(=O)N1CCC[C@H]1B(O)O
CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O
CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C([NH3+])C2CCCCC2)cc1)C(O)=O
CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2c(F)c(F)c(F)c(F)c2F)cc1)C(O)=O
CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2cc(F)ccc2F)cc1)C(O)=O
CC(C)[C@H](N(C)C)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)CO |r|
CC(C)[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O |r|
CC(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1B(O)O |r|
CC(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
CC(C)[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r|
CC(C)[C@H](NC(=O)CNC(=O)CCC(N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](NC(=O)CNC(=O)CC[C@@H](N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](NC(=O)CNC(=O)CC[C@H]1N2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C4)(OC(=O)C3)OC1=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](NC(=O)CNC(=O)CC[C@H]1N2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C4)(OC(=O)C3)OC1=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CCC(N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@H](C)C(=O)N1CC(F)(F)C[C@H]1C#N |r|
CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCN2CCN3CCN(CC1)CC(=O)O[Ga](OC(=O)C2)OC(=O)C3)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCN2CCN3CCN(CC1)CC(=O)O[Lu](OC(=O)C2)OC(=O)C3)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CC[C@@H](N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=S)N1CCSC1 |r|
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
CC(C)[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N1CCC[C@H]1C(=O)N1CCCCC1 |r|
CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)[C@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O |r|
CC(C)c1ccc(C(=O)c2ccco2)c(SCCCCCCCCN(C)[11CH3])n1
CC(C)c1ccc(C(=O)c2cccs2)c(SCCCCCCCCN(C)C)n1
CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2s1
CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|
CC1(C)CCN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|
CC1(C)CN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|
CC1(CC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
CC1(CCCC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
CC1(CCCCC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
CC1(CCCCC1)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
CC1(COC1)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CC1CCC(C)N1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1
CC1CCC(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)CC1 |wU:17.19,(-2.79,-4.97,;-2.78,-3.43,;-1.44,-2.66,;-1.44,-1.12,;-2.77,-.35,;-2.77,1.19,;-1.44,1.96,;-.11,1.19,;-1.44,3.5,;-2.77,4.26,;-2.77,5.8,;-4.1,6.57,;-4.12,8.08,;-2.79,8.87,;-1.45,8.1,;-1.44,6.58,;-.11,5.8,;-.11,4.26,;1.22,3.49,;1.22,1.95,;2.55,4.26,;3.95,3.63,;4.99,4.78,;4.21,6.11,;2.71,5.8,;-4.11,-1.12,;-4.11,-2.64,)|
CC1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1
CC1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccccc1 |r|
CCC1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
CCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
CCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
CCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
CCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
CCCCCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1 |r|
CCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1 |r|
CCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
CCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
CCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
CCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
CCCCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
CCCCCCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
CCCCCCCCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
CCCCCCCCCCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
CCCCCCCC\C=C/CCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
CCCCC\C=C(/C)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
CCCCC\C=C\C(=O)N1CCC[C@H]1C(=O)N1CCCC1
CCCC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O
CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CCC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
CCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CCC\C=C\C=C(/C)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
CCN(CC)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1
CCOC(=O)C(=O)C1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
CCOC(=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
CCOC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
CCOC(=O)c1ccc2[n+](C)c(c3CCOc3c2c1)-c1ccc(Cl)cc1
CC[C@@H](C)C(N)C(=O)N1Cc2ccc(F)cc2C1 |r|
CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@H]1B(O)O |r|
CC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC1=O)C(C)C)C(=O)N[C@@H](C)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N2)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C |r|
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O |r|
CC[C@H](N)C(=O)N1CCC[C@H]1B(O)O
CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CN(C)C(=O)C[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
CN(C)Cc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
CN(CB(O)O)C(=O)[C@@H](N)CCC(O)=O |r|
CN(CC(=O)N1CCCC1)C(=O)CCCc1ccccc1
CN(CC(=O)N1CCC[C@H]1B(O)O)C(=O)C1CCC(=O)N1
CN(CC(=O)N1CCC[C@H]1B(O)O)C(=O)c1ccccc1
CN(CC(=O)N1CCC[C@H]1B(O)O)C(C)=O
CN(CC(=O)N1CCC[C@H]1C#N)C(=O)CCCc1ccccc1 |r|
CN(CC(=O)N1CCC[C@H]1C#N)C(=O)c1ccnc2ccccc12 |r|
CN(CC(=O)N1CCC[C@H]1C#N)CC(=O)N1CCC[C@H]1C#N |r|
CN(CC(=O)N1CCC[C@H]1C#N)Cc1ccnc2ccccc12 |r|
CN(CC(=O)N1CCC[C@H]1C(N)=O)C(=O)CCCc1ccccc1 |r|
CN(CC(=O)N1CCC[C@H]1c1nnn[nH]1)C(=O)CCCc1ccccc1 |r|
CN(CC(=O)N1CCC[C@H]1c1nnn[nH]1)C(=O)CCc1ccccc1 |r|
CN1CC(C(=O)N2CCCC2)n2c(C1)nn(Cc1ccc(C)cc1)c2=O
CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1ccc(C)cc1)c2=O |r|
CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1ccc(nc1)C(F)(F)F)c2=O |r|
CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1cncc(Cl)c1)c2=O |r|
COC(=O)Cc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)CC([NH3+])Cc2ccccc2F)cc1
COC(=O)[C@@]1(C)[C@@H](CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@]5(C)CC[C@@]4(CO)[C@]3(C)CC[C@@H]12)C(C)=C)OC(C)=O |r|
COC(=O)[C@@]1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]12C |r,t:22|
COC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)C1CCCC1
COC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
COC(=O)c1onc(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1C(=O)OC
COC(OC)C1CCCN1C(=O)C1CCCN1C(=O)OCc1ccccc1
COC(OC)C1CSCN1C(=O)C1CCCN1C(=O)OCc1ccccc1
COC(OC)C1CSCN1C(=O)C1CSCN1C(=O)OCc1ccccc1
COC(OC)[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)CC1Cc2ccccc2C1 |r|
COCC1=C(C(=O)C(COC)=C(C1=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 |c:10,t:3|
COCC1COC(O1)C1CCCN1C(=O)C1CCCN1C(=O)OCc1ccccc1
COCCN(CC(=O)N1CCC[C@H]1C#N)C(=O)c1ccnc2ccccc12 |r|
COCCN(CC(=O)N1CCC[C@H]1C#N)Cc1ccnc2ccccc12 |r|
COCc1c(COC)c(c(COC)c(COC)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)-c1ccc(O[Si](C)(C)C(C)(C)C)cc1
COCc1c(OC(C)=O)c(c(COC)c(OC(C)=O)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)-c1ccc(O[Si](C)(C)C(C)(C)C)cc1
CO[C@@H]1CCC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
CO[C@@H]1C[C@H](N(C1)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)C(=O)N1CCC[C@H]1C#N |r|
COc1cc(cc(OC(=O)C(C)(C)C)c1OC)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
COc1cc(cc(OC(C)=O)c1OC)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
COc1cc(cc(OC)c1OC(=O)c1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
COc1cc(cc(OC)c1OC(C)=O)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@@H](C)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)OC(C)(C)C |r|
COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|
COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)C(F)(F)F |r|
COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)SC |r|
COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
COc1cc(cc(OCc2ccccc2)c1OCc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCCC1C#N |r|
COc1cc2CCN(C)C(Cc3ccc(O)cc3)c2cc1Oc1c2CN(C)CCc2cc(OC)c1OC
COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4 |r|
COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC
COc1ccc(COc2cc(C(C)=O)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
COc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
COc1ccc(NC(=O)O[C@@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1
COc1ccc(NC(=O)O[C@@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCSC2)cc1
COc1ccc(NC(=O)O[C@@H]2CC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1
COc1ccc(NC(=O)O[C@@H]2CC[C@@H](C2)[C@H](N)C(=O)N2CCSC2)cc1
COc1ccc(NC(=O)O[C@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1
COc1ccc(NC(=O)O[C@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCSC2)cc1
COc1ccc(NC(=O)O[C@H]2CC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1
COc1ccc(cc1)-c1cc(C(=O)NCC(=O)N2CCC[C@H]2C#N)c2ccccc2n1 |r|
COc1ccc(cc1)-c1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
COc1ccc(cc1)-c1nc2c(ccnc2[nH]1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
COc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:10.12,20.24,8.8,(16.46,-15.17,;16.45,-13.63,;15.1,-12.86,;15.1,-11.32,;13.77,-10.55,;12.44,-11.35,;12.44,-12.89,;13.77,-13.63,;11.11,-10.58,;9.57,-10.58,;10.34,-9.25,;10.34,-7.71,;11.67,-6.94,;9.01,-6.94,;7.68,-7.68,;6.35,-6.94,;6.35,-5.4,;7.68,-4.6,;6.91,-5.93,;8.38,-5.54,;9.01,-5.4,;10.34,-4.63,;11.67,-5.4,;10.36,-3.09,;11.6,-2.18,;11.11,-.68,;9.6,-.71,;9.12,-2.18,)|
COc1ccc(cc1OC)-c1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
COc1ccc(cc1OC1CCCC1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
COc1ccc2cc3-c4cc5OCOc5cc4CCn3c(=O)c2c1OC
COc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|
COc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
COc1cccc(c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
COc1cccc(c1)S(=O)(=O)NCC(=O)N1CCC[C@H]1C#N |r|
COc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|
CS(=O)(=O)N1CC(C1)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CS(=O)(=O)NCC(=O)N1CCC[C@H]1B(O)O
CS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[C@H](C1)[C@H](N)C(=O)N1CCCC1
CS(=O)(=O)NCCS(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
CS(=O)(=O)c1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@@H]1CC[C@H](C1)[C@H](N)C(=O)N1CCCC1
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](C1)[C@H](N)C(=O)N1CCCC1
CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
CSCC[C@@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](CCSC)C(=O)N1CCCC1)C(=O)N1CCCC1
CSCC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
CSCC[C@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](CCSC)C(=O)N1CCCC1)C(=O)N1CCCC1
CSc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
C[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
C[C@@H](NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)CN1CCN2CCN3CCN(CC1)CC(=O)O[Gd](OC(=O)C2)OC(=O)C3)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C#N
C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)CC1)C(=O)N1CCC[C@H]1B(O)O |r,wU:46.49,8.8,wD:1.0,5.4,(-9.28,10.4,;-9.28,8.86,;-10.62,8.09,;-11.95,8.86,;-11.95,10.4,;-13.28,8.09,;-14.62,8.86,;-15.95,8.09,;-15.95,6.55,;-17.28,5.78,;-18.62,6.55,;-19.95,5.78,;-19.95,4.24,;-21.28,6.55,;-22.62,5.78,;-23.34,7.1,;-24.92,7.09,;-25.72,5.78,;-26.93,6.99,;-25.85,8.17,;-24.36,7.77,;-25.85,9.71,;-27.01,5.05,;-26.99,3.47,;-25.71,2.68,;-26.8,1.59,;-28.29,1.99,;-29.06,3.32,;-29.38,.9,;-25.01,1.35,;-23.43,1.37,;-22.61,2.68,;-21.84,1.35,;-22.93,.26,;-24.42,.66,;-22.93,-1.28,;-21.3,3.44,;-21.32,5.02,;-14.62,5.78,;-13.28,6.55,;-7.95,8.09,;-7.95,6.55,;-6.62,8.86,;-6.62,10.4,;-5.15,10.88,;-4.25,9.63,;-5.15,8.39,;-4.68,6.92,;-5.71,5.78,;-3.17,6.6,)|
C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)CC1)C(=O)N1CCC[C@H]1B(O)O |r,wU:8.8,47.52,wD:5.4,1.0,(7.29,6.09,;7.29,4.55,;5.95,3.78,;4.62,4.55,;4.62,6.09,;3.29,3.78,;1.95,4.55,;.62,3.78,;.62,2.24,;-.72,1.47,;-2.05,2.24,;-3.38,1.47,;-3.38,-.07,;-4.72,2.24,;-6.05,1.47,;-6.77,2.79,;-8.35,2.78,;-9.15,1.47,;-10.44,.74,;-10.43,-.84,;-9.14,-1.63,;-8.44,-2.95,;-6.86,-2.94,;-6.04,-1.63,;-4.74,-.87,;-4.75,.71,;-5.02,-3.89,;-6.17,-4.86,;-6.17,-6.4,;-7.85,-4.59,;-7.89,-.09,;-7.92,4.44,;-9.47,4.45,;-9.47,5.99,;-10.65,3.24,;-11.81,-.09,;-11.81,-1.63,;-13.15,-2.4,;-10.48,-2.4,;1.95,1.47,;3.29,2.24,;8.62,3.78,;8.62,2.24,;9.95,4.55,;10.12,6.08,;11.62,6.4,;12.39,5.07,;11.36,3.93,;11.68,2.42,;10.54,1.39,;13.15,1.94,)|
C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)CC1)C(=O)N1CCC[C@H]1B(O)O |r,wU:8.8,47.52,wD:5.4,1.0,(7.29,6.09,;7.29,4.55,;5.95,3.78,;4.62,4.55,;4.62,6.09,;3.29,3.78,;1.95,4.55,;.62,3.78,;.62,2.24,;-.72,1.47,;-2.05,2.24,;-3.38,1.47,;-3.38,-.07,;-4.72,2.24,;-6.05,1.47,;-6.77,2.79,;-8.35,2.78,;-9.15,1.47,;-10.44,.74,;-10.43,-.84,;-9.14,-1.63,;-8.44,-2.95,;-6.86,-2.94,;-6.04,-1.63,;-4.74,-.87,;-4.75,.71,;-5.02,-3.89,;-6.17,-4.86,;-6.17,-6.4,;-7.85,-4.59,;-7.89,-.09,;-7.92,4.44,;-9.47,4.45,;-9.47,5.99,;-10.65,3.24,;-11.81,-.09,;-11.81,-1.63,;-13.15,-2.4,;-10.48,-2.4,;1.95,1.47,;3.29,2.24,;8.62,3.78,;8.62,2.24,;9.95,4.55,;10.12,6.08,;11.62,6.4,;12.39,5.07,;11.36,3.93,;11.68,2.42,;10.54,1.39,;13.15,1.94,)|
C[C@@H](NC(=O)c1ccc(CNC(=O)CCCNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(CNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(NC(=O)CCCCNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(NC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(NC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(NN)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(NNC(=O)CCCCCC2=C(\C=C\C3=C(Oc4ccc(cc4)S(O)(=O)=O)\C(\CCC3)=C\C=C3\N(CCCCS(O)(=O)=O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S(O)(=O)=O)cc1)C(=O)N1CCC[C@H]1B(O)O |r,c:18,22|
C[C@@H](NC(=O)c1ccc(NNC(=O)CCCCCC2=C(\C=C\C3=C(Oc4ccc(cc4)S(O)(=O)=O)\C(\CCC3)=C\C=C3\N(CCCCS(O)(=O)=O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S(O)(=O)=O)nc1)C(=O)N1CCC[C@H]1B(O)O |r,c:18,22|
C[C@@H](NC(=O)c1ccc(NNC(=O)CCCCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(NNC(=O)CCCCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(NNC(=O)CCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(NNC(=O)CCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(NNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(NNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Gd](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(NNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Gd](OC(=O)C3)OC(=O)C4)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(NNC(=O)CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccc(NNC(=O)CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](C)C(=O)N1CCCC1)C(=O)N1CCCC1
C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1cccnc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccnc(Cl)c1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccnc(F)c1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|
C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccncc1Cl)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(=O)c1ccncc1F)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@@H](NC(C)=O)C(=O)N1CCC[C@H]1B(O)O
C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
C[C@@H]1OC(OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
C[C@H](N(C)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
C[C@H](N(C)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
C[C@H](N(C)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
C[C@H](N(C)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
C[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|
C[C@H](NC(=O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r|
C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1c1ncc[nH]1 |r|
C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1c1nnc[nH]1 |r|
C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
C[C@H](NC(=O)CCCc1cccs1)C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
C[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
C[C@H](NC(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1)C(=O)N1CCCC1
C[C@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](C)C(=O)N1CCCC1)C(=O)N1CCCC1
C[C@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|
C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@@]1(COC(C)=O)[C@H]3[C@H](C=C[C@H]1OC(=O)c1ccccc1)C(C)(C)O[C@]3(C)C2=O |r,c:25|
C[S+]([O-])c1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
C[Si](C)(C)c1cc(no1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
C[Si](C)(C)c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2C#N)c2ccccc2n1 |r|
Cc1cc(Cl)ccc1OCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
Cc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)C2CC2)cc1
Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)NC(C)(C)C)cc1
Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)NC2CC2)cc1
Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)NCC(F)(F)F)cc1
Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)NCC(F)F)cc1
Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)OC(C)(C)C)cc1
Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)c2ccc(cc2)C(F)(F)F)cc1
Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C2CCC2)cc1
Cc1ccc(Cn2nc3CN(CC(C(=O)N4CC[C@H](F)C4)n3c2=O)C(=O)OC(C)(C)C)cc1 |r|
Cc1ccc(Cn2nc3CNCC(C(=O)N4CCCC4)n3c2=O)cc1
Cc1ccc(Cn2nc3CNCC(C(=O)N4CC[C@H](F)C4)n3c2=O)cc1 |r|
Cc1ccc(SCc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
Cc1ccc(cc1)S(=O)(=O)Cc1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
Cc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1[N+]#[C-] |r|
Cc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|
Cc1nc2ccccc2c(C(=O)NCC(=O)N2CCC[C@H]2C#N)c1O |r|
Cc1ncoc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Cc1ncsc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
ClCC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1 |r|
ClCC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
Clc1cc(Cl)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Clc1cc(NCCc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Clc1cc(NCc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Clc1cc(OCC2CCCCC2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Clc1cc(OCCc2ccc(Cl)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Clc1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Clc1cc(OCc2ccc3ccccc3c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Clc1cc(OCc2ccncc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Clc1cc(Oc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Clc1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Clc1ccc(CC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1 |r|
Clc1ccc(CN(CC(=O)N2CCC[C@H]2C#N)C(=O)c2ccnc3ccccc23)cc1 |r|
Clc1ccc(CNC(=O)CCC(=O)N2CCC[C@H]2C=O)cc1
Clc1ccc(cc1)C(C(=O)NCC(=O)N1CCC[C@H]1C#N)c1ccc(Cl)cc1 |r|
Clc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Clc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
Clc1cccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r|
Clc1cccc(Cl)c1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Clc1cccc2c(ccnc12)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Clc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|
Clc1ccccc1-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|
Cn1cc(cc1-c1ccc(Cl)cc1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
Cn1cnc(c1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Cn1cncc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Cn1nnc(n1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 |r|
Cn1nnnc1[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 |r|
FC(F)(F)C(=C\C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)\c1ccccc1
FC(F)(F)C(=O)Nc1ccc(cc1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
FC(F)(F)C(CCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)c1ccccc1
FC(F)(F)C(CCCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)C1CCCC1
FC(F)(F)C(CCCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)c1ccccc1
FC(F)(F)Oc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
FC(F)(F)Oc1ccc(cc1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
FC(F)(F)[C@@H](CC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)c1ccccc1
FC(F)(F)[C@H](CC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)c1ccccc1
FC(F)(F)[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
FC(F)(F)c1cc(Cl)ccc1-c1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
FC(F)(F)c1cc(ccc1OCc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
FC(F)(F)c1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1
FC(F)(F)c1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
FC(F)(F)c1ccc(COc2cc(c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)S(=O)(=O)c2ccccc2)cc1 |r|
FC(F)(F)c1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
FC(F)(F)c1ccc(SCc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
FC(F)(F)c1ccc(cc1)-c1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
FC(F)(F)c1ccc(cc1)S(=O)(=O)Cc1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
FC(F)(F)c1cccc(c1)[C@H]1C[C@H]1C(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:12.14,22.26,10.10,(17.13,-12.07,;15.8,-11.32,;15.78,-9.78,;16.2,-12.79,;14.47,-12.09,;14.47,-13.63,;13.14,-14.4,;11.81,-13.65,;11.81,-12.11,;13.14,-11.32,;10.48,-11.34,;8.94,-11.35,;9.71,-10.01,;9.71,-8.47,;11.04,-7.7,;8.38,-7.7,;7.05,-8.45,;5.72,-7.7,;5.72,-6.16,;7.05,-5.37,;6.26,-6.7,;7.75,-6.31,;8.38,-6.16,;9.71,-5.39,;11.04,-6.17,;9.71,-3.85,;10.97,-2.95,;10.48,-1.45,;8.97,-1.48,;8.48,-2.94,)|
FC(F)(F)c1cccc(c1)[C@H]1C[C@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1c[nH]c(c1)-c1ccc(Cl)cc1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc(n1)-c1ccc(Cl)cc1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccccc1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2cccc(Br)c12 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2cccc(C#N)c12 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cnc(cn1)-c1ccc(Cl)cc1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1coc(n1)-c1ccc(Cl)cc1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CCCc2ccc(Cl)c(Cl)c2)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CCCc2ccc(cc2)C#N)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(COc2ccc(Cl)c(Cl)c2)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(COc2ccc(cc2)C#N)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CS(=O)(=O)c2ccc(cc2)C#N)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CSc2ccc(Cl)c(Cl)c2)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CSc2ccc(cc2)C#N)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2cc(Cl)ccc2Cl)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Br)cc2)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)c(Cl)c2)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2Cl)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-c2ccc(Cl)cc2)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-c2ccc(cc2)C#N)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-n2cccn2)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-n2cncn2)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)C#N)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2cccc(Br)c2)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2-c2ccc3ccccc3c2)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2Br)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2I)n1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(n1)-c1ccc(Cl)cc1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(n1)-c1ccc(cc1)-c1ccccc1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(n1)-c1ccc2occc2c1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C#N |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 |r|
FC1(F)C[C@@H](C#N)N(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
FC1(F)C[C@H](N(C1)C(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCCC1 |r|
FC1(F)C[C@H](N(C1)C(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N1CCC[C@H]1C#N |r|
FC1(F)C[C@H](N(C1)C(=O)c1cccc(OCc2ccccc2)c1)C(=O)N1CCC[C@H]1C#N |r|
FC1(F)C[C@H](N(C1)C(=O)c1ccccc1OCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
F[C@@H]1CCN(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
F[C@@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
F[C@@H]1C[C@@H](C#N)N(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
F[C@H]1CCN(C1)C(=O)C1CN(CC(F)(F)F)Cc2nn(Cc3nccc(c3Cl)C(F)(F)F)c(=O)n12 |r|
F[C@H]1CCN(C1)C(=O)C1CN(CC2CC2(F)F)Cc2nn(Cc3cncc(Cl)c3)c(=O)n12 |r|
F[C@H]1CCN(C1)C(=O)C1CN(Cc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(=O)n12)C(=O)C1CC1 |r|
F[C@H]1CCN(C1)C(=O)C1CN(Cc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(=O)n12)C(=O)CCC(F)(F)F |r|
F[C@H]1CCN(C1)C(=O)C1CNCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(=O)n12 |r|
F[C@H]1CCN(C1)C(=O)C1CNCc2nn(Cc3ccnc(c3F)C(F)(F)F)c(=O)n12
F[C@H]1CCN(C1)C(=O)C1CNCc2nn(Cc3nccc(c3Cl)C(F)(F)F)c(=O)n12 |r|
F[C@H]1CCN(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1c(F)cccc1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)c(C#N)c(F)c1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(F)c1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(c1)C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(C#N)c(Cl)c1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(C#N)c(F)c1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(Cl)cn1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(F)cc1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1)C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1C#N)C(F)(F)F |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1C(F)(F)F)C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1Cl)C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1F)C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C(F)(F)F |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(Cl)c1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(F)c1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(c1C#N)C(F)(F)F |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccccc1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccccn1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cnc2ccccc2n1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nc2ccccc2o1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nc2ccccc2s1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccc(n1)C(F)(F)F |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccc1C#N |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccn1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccs1 |r|
F[C@H]1C[C@@H](C#N)N(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Fc1cc(F)c(F)c(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r|
Fc1cc(F)cc(COc2cc(c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)S(=O)(=O)c2ccccc2)c1 |r|
Fc1cc(F)cc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r|
Fc1cc(ccc1OCc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
Fc1ccc(-c2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)c(F)c1 |r|
Fc1ccc(CCOc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
Fc1ccc(CN2CCN(CC2)C(=O)CCC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1 |r|
Fc1ccc(CNC(=O)CCC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1 |r|
Fc1ccc(CNc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
Fc1ccc(CNc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1F |r|
Fc1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
Fc1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1Cl |r|
Fc1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1F |r|
Fc1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c(F)c1 |r|
Fc1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
Fc1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1F |r|
Fc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)c(Cl)c1 |r|
Fc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1F |r|
Fc1ccc(F)c(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r|
Fc1ccc(cc1)-c1cn(CC(=O)N2CCC[C@H]2C#N)nn1 |r|
Fc1ccc(cc1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Fc1ccc(cc1)-c1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
Fc1ccc(cc1)-c1nc2c(ccnc2[nH]1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Fc1ccc(cc1)C(N1CCN(CC(=O)NCC(=O)N2CCC[C@H]2C#N)CC1)c1ccc(F)cc1 |r|
Fc1ccc(cc1)C(N1CCN(CC1)C(=O)CCC(=O)NCC(=O)N1CCC[C@H]1C#N)c1ccc(F)cc1 |r|
Fc1ccc(cc1)C(NC(=O)CCC(=O)NCC(=O)N1CCC[C@H]1C#N)c1ccc(F)cc1 |r|
Fc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:9.11,19.23,7.7,(16.51,-14.29,;15.16,-13.54,;15.16,-11.98,;13.83,-11.22,;12.49,-11.99,;12.49,-13.54,;13.83,-14.31,;11.16,-11.22,;9.62,-11.23,;10.39,-9.89,;10.39,-8.35,;11.72,-7.58,;9.06,-7.58,;7.72,-8.35,;6.39,-7.58,;6.39,-6.03,;7.72,-5.26,;6.94,-6.59,;8.43,-6.18,;9.06,-6.03,;10.39,-5.26,;11.72,-6.04,;10.4,-3.72,;9.17,-2.81,;9.64,-1.34,;11.16,-1.33,;11.65,-2.81,)|
Fc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
Fc1ccc(cc1F)-c1cn(CC(=O)NCC(=O)N2CCC[C@H]2C#N)nn1 |r|
Fc1ccc(cc1F)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Fc1ccc2CN(Cc2c1)C(=O)[C@@H]1CCCCN1 |r|
Fc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
Ic1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N2CCCC2)cc1 |r|
Ic1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C#N)cc1 |r|
NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCCc1ccccc1 |r|
NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 |r|
NC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
NC1(CCNCC1)C(=O)N1CCSC1
NC1(CCNCC1)C(=O)N1Cc2ccc(F)cc2C1
NC1(CCNCC1)C(=O)N1Cc2ccccc2C1
NCC(=O)N1CCC[C@H]1B(O)O |r|
NCCCC[C@H](N)C(=O)N1CCC[C@H]1B(O)O
NCCCC[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
NCC[C@H](N)C(=O)N1CC[C@H]2CCC[C@@H]12
NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
NN(CC(=O)N1CSC[C@H]1C#N)C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1 |r|
N[C@@H](C1CCCC1)C(=O)N1Cc2ccc(F)cc2C1 |r|
N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1B(O)O |r|
N[C@@H](C1CCCCC1)C(=O)N1Cc2ccc(F)cc2C1 |r|
N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(CC2CC2)no1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ccccn1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1cnccn1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ncc(F)cc1F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ncccn1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)C1CC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)N1CCCC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)N1CCOCC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(F)CC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(O)CC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1CC1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 |r|
N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2[C@H]1B(O)O |r|
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(N)=O)C(=O)N1Cc2ccc(F)cc2C1 |r|
N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O
N[C@@H]([C@@H]1CC[C@@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1
N[C@@H]([C@@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCC1
N[C@@H]([C@@H]1CC[C@@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
N[C@@H]([C@@H]1CC[C@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1
N[C@@H]([C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCC1
N[C@@H]([C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)C(O)=O)C(=O)N1CCCC1
N[C@@H]([C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCC1
N[C@@H]([C@@H]1CC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
N[C@@H]([C@H]1CCC[C@@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
N[C@@H]([C@H]1CCC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
N[C@@H]([C@H]1CCC[C@H](O)C1)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCSC1
N[C@@H]([C@H]1CC[C@@H](C1)NC(=O)c1cccc2ccccc12)C(=O)N1CCSC1
N[C@@H]([C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)C(O)=O)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)S(=O)(=O)C(F)(F)F)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@@H](O)C1)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@H](C1)NC(=O)c1cccc2ccccc12)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCSC1
N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1cccc(F)c1)C(=O)N1CCSC1
N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1ccccc1-c1ccccc1)C(=O)N1CCCC1
N[C@@H]([C@H]1CC[C@H](O)C1)C(=O)N1CCCC1
N[C@H](C(=O)N1CCC[C@H]1B(O)O)C1(CC1)C(F)(F)F |r|
N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(C3)C1)C2 |r,TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:1:12:15:18.19.17,20:18:15:21.12.13,20:12:15:18.19.17|
N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(Cl)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|
N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|
N[C@H]([C@H]1CC[C@H](C1)OC(=O)Nc1cccc(F)c1)C(=O)N1CCSC1
N[C@H]([C@H]1CC[C@H](C1)OC(=O)Nc1cccc2ccccc12)C(=O)N1CCSC1
N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Nc1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Nc1ccc(cc1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
Nc1cccc(F)c1C(=O)N1CCC[C@H]1B(O)O |r|
O=C(C1CC(C1)c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:19.23,(7.73,-12.05,;6.4,-12.82,;6.39,-14.36,;5.3,-15.45,;6.39,-16.53,;7.47,-15.45,;6.39,-18.07,;7.72,-18.83,;7.72,-20.37,;6.38,-21.15,;5.05,-20.37,;5.05,-18.84,;5.06,-12.05,;3.73,-12.81,;2.41,-12.05,;2.41,-10.51,;3.73,-9.73,;2.95,-11.06,;4.44,-10.65,;5.06,-10.51,;6.4,-9.74,;7.73,-10.51,;6.4,-8.2,;7.65,-7.29,;7.17,-5.81,;5.65,-5.82,;5.16,-7.29,)|
O=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)C1CCCC1
O=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
O=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
O=C(C1CCCC1)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)C1CCCC1
O=C(C1CCCC1)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
O=C(C1CCCC1)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C#N
O=C(C1CCCN1C(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
O=C(C1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N)N1CCCC1
O=C(C1CCCN1C(=O)c1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
O=C(C1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
O=C(CC(C1CC1)C1CC1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
O=C(CC1=Cc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCCC1 |t:3|
O=C(CC1CCCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
O=C(CC1CCc2sccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
O=C(CC1Cc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCCC1
O=C(CC1Cc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCSC1
O=C(CC1Cc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCCC1
O=C(CC1Cc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
O=C(CC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
O=C(CC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCC[C@H]1C#N
O=C(CC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCSC1
O=C(CCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1)NC(C1CC1)C1CC1 |wU:13.15,(8,-22.26,;9.34,-21.49,;9.34,-19.94,;8,-19.17,;8,-17.63,;9.34,-16.86,;6.67,-16.86,;5.34,-17.61,;6.04,-15.46,;4.56,-15.86,;5.34,-14.53,;4.01,-15.32,;4.01,-16.86,;6.67,-15.32,;8,-14.54,;9.34,-15.32,;8.02,-13,;9.27,-12.1,;8.78,-10.6,;7.26,-10.62,;6.78,-12.09,;10.69,-22.27,;12.02,-21.5,;11.98,-19.99,;12.72,-18.71,;11.18,-18.67,;13.34,-22.27,;14.12,-23.58,;14.86,-22.29,)|
O=C(CCC(=O)N1CCCCCC1)N1CCC[C@H]1C(=O)N1CCCC1
O=C(CCC(=O)N1CCCCCC1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
O=C(CCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
O=C(CCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1C(=O)N1CCCC1
O=C(CCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCC[C@H]1C(=O)N1CCCC1
O=C(CCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N)N1CCCC1
O=C(CCC(=O)N1CCOCC1)N1CCC[C@H]1C(=O)N1CCCC1
O=C(CCC(C1CC1)C1CC1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
O=C(CCC1CCCCC1)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCCCC1 |r|
O=C(CCC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
O=C(CCCC(=O)N1CCCCCC1)N1CCC[C@H]1C(=O)N1CCCC1
O=C(CCCC(=O)N1CCCCCC1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
O=C(CCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1C(=O)N1CCCC1
O=C(CCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCC[C@H]1C(=O)N1CCCC1
O=C(CCCC(C1CC1)C1CC1)N1C2CCC(C2)[C@H]1C(=O)N1CCCC1
O=C(CCCC(C1CC1)C1CC1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:19.23,(4.28,.47,;2.94,-.29,;2.93,-1.85,;1.6,-2.62,;1.59,-4.16,;.26,-4.93,;-1.08,-5.7,;-1.84,-7.04,;-2.61,-5.69,;1.59,-5.7,;2.36,-7.04,;3.13,-5.69,;1.6,.47,;.27,-.29,;-1.05,.47,;-1.05,2.01,;.27,2.78,;-.51,1.45,;.98,1.86,;1.6,2.01,;2.94,2.78,;4.28,2,;2.94,4.32,;1.71,5.24,;2.18,6.7,;3.72,6.71,;4.19,5.23,)|
O=C(CCCC(C1CC1)C1CC1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
O=C(CCCC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
O=C(CCCC=C(C1CC1)C1CC1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:20.24,(12.28,-11.07,;10.95,-11.84,;10.95,-13.38,;12.28,-14.15,;11.89,-15.65,;13.21,-16.41,;13.2,-17.96,;12.17,-19.11,;11.85,-20.58,;10.73,-19.6,;14.67,-18.22,;15.78,-19.18,;16.12,-17.7,;9.62,-11.07,;8.29,-11.83,;6.95,-11.07,;6.95,-9.52,;8.29,-8.74,;7.51,-10.08,;8.99,-9.68,;9.62,-9.52,;10.95,-8.75,;12.28,-9.54,;10.97,-7.21,;9.73,-6.3,;10.2,-4.84,;11.72,-4.82,;12.21,-6.31,)|
O=C(CCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1C(=O)N1CCCC1
O=C(CCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCC[C@H]1C(=O)N1CCCC1
O=C(CCCCC(C1CC1)C1CC1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:20.24,(8.06,-.37,;6.73,-1.14,;6.73,-2.68,;5.4,-3.45,;5.37,-4.99,;4.04,-5.76,;4.04,-7.3,;2.71,-8.06,;1.2,-8.06,;1.94,-9.4,;5.37,-8.06,;6.14,-9.4,;6.91,-8.06,;5.4,-.37,;4.07,-1.14,;4.77,1.02,;3.27,.61,;4.07,1.94,;2.74,1.17,;2.74,-.37,;5.4,1.17,;6.73,1.94,;8.06,1.16,;6.73,3.48,;5.49,4.39,;5.98,5.85,;7.5,5.87,;7.99,4.38,)|
O=C(CCCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ncc[nH]1 |r|
O=C(CCCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
O=C(CCCCc1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
O=C(CCCN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC[C@H]1C(=O)N1CCCC1 |r|
O=C(CCCc1ccccc1)C1=C(CCC1)C(=O)N1CCCC1 |t:12|
O=C(CCCc1ccccc1)C1=CCCC1C(=O)N1CCCC1 |t:12|
O=C(CCCc1ccccc1)C1=CCC[C@@H]1C(=O)N1CCC[C@H]1C#N |t:12|
O=C(CCCc1ccccc1)C1=CCC[C@H]1C(=O)N1CCC[C@H]1C#N |t:12|
O=C(CCCc1ccccc1)N1C2CCC(C2)[C@@H]1C(=O)N1CCCC1
O=C(CCCc1ccccc1)N1C2CCC(CC2)C1C(=O)n1cccn1 |(2.01,-12.58,;.68,-13.35,;.68,-14.89,;-.65,-15.66,;-.67,-17.2,;-2,-17.97,;-1.98,-19.51,;-3.33,-20.28,;-4.66,-19.51,;-4.66,-17.97,;-3.33,-17.2,;-.65,-12.58,;-1.98,-13.35,;-3.31,-12.58,;-3.31,-11.04,;-1.98,-10.27,;-2.77,-11.6,;-1.28,-11.2,;-.65,-11.04,;.68,-10.27,;2.01,-11.06,;.68,-8.73,;-.58,-7.8,;-.09,-6.35,;1.45,-6.38,;1.91,-7.85,)|
O=C(CCCc1ccccc1)N1C2CCC(CC2)C1C(=O)n1ccnc1 |(2.01,-12.58,;.68,-13.35,;.68,-14.89,;-.65,-15.66,;-.67,-17.2,;-2,-17.97,;-1.98,-19.51,;-3.33,-20.28,;-4.66,-19.51,;-4.66,-17.97,;-3.33,-17.2,;-.65,-12.58,;-1.98,-13.35,;-3.31,-12.58,;-3.31,-11.04,;-1.98,-10.27,;-2.77,-11.6,;-1.28,-11.2,;-.65,-11.04,;.68,-10.27,;2.01,-11.06,;.68,-8.73,;-.58,-7.8,;-.09,-6.35,;1.45,-6.38,;1.91,-7.85,)|
O=C(CCCc1ccccc1)N1C2CCC(CC2)[C@@H]1C(=O)N1CCCC1 |wD:18.21,(12.42,-6.15,;11.09,-6.92,;11.07,-8.46,;9.73,-9.24,;9.73,-10.78,;8.4,-11.55,;8.4,-13.08,;7.07,-13.85,;5.74,-13.08,;5.74,-11.54,;7.07,-10.76,;9.73,-6.15,;8.4,-6.92,;7.09,-6.15,;7.09,-4.61,;8.4,-3.83,;7.63,-5.17,;9.13,-4.75,;9.73,-4.61,;11.09,-3.83,;12.42,-4.61,;11.09,-2.29,;9.85,-1.38,;10.32,.09,;11.86,.09,;12.33,-1.39,)|
O=C(CCCc1ccccc1)N1C2CCC(CC2)[C@@H]1C(=O)c1cccs1 |wD:18.21,(2.01,-12.42,;.68,-13.19,;.68,-14.73,;-.65,-15.5,;-.67,-17.04,;-2,-17.8,;-1.98,-19.33,;-3.33,-20.1,;-4.66,-19.33,;-4.66,-17.79,;-3.33,-17.02,;-.65,-12.42,;-1.98,-13.18,;-3.31,-12.42,;-3.31,-10.88,;-1.98,-10.1,;-2.77,-11.43,;-1.28,-11.02,;-.65,-10.88,;.68,-10.11,;2.01,-10.88,;.68,-8.57,;-.58,-7.64,;-.09,-6.18,;1.45,-6.21,;1.91,-7.68,)|
O=C(CCCc1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:18.21,(.21,-12.14,;-1.12,-12.91,;-1.14,-14.46,;-2.47,-15.23,;-2.47,-16.77,;-3.8,-17.54,;-3.8,-19.08,;-5.14,-19.85,;-6.48,-19.08,;-6.47,-17.54,;-5.14,-16.76,;-2.47,-12.14,;-3.8,-12.91,;-5.12,-12.14,;-5.12,-10.6,;-3.8,-9.83,;-4.58,-11.16,;-3.09,-10.76,;-2.47,-10.6,;-1.12,-9.83,;.21,-10.62,;-1.11,-8.29,;-2.35,-7.37,;-1.89,-5.92,;-.35,-5.9,;.12,-7.39,)|
O=C(CCCc1ccccc1)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C#N |r|
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)c1nccs1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)C1=NCCS1 |t:28|
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1 |r|
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccc[nH]1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccccn1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cccnc1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cccs1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cncnc1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cncs1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cscn1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2o1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1nc2ncccc2o1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ncc[nH]1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1nccs1
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ccn[nH]1 |r|
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1cnc[nH]1 |r|
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1cnn[nH]1 |r|
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ncc[nH]1 |r|
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnc[nH]1 |r|
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
O=C(CCCc1ccccc1)N1CCC[C@H]1CN1CCCC1 |r|
O=C(CCCc1ccccc1)N1CSC[C@H]1C(=O)N1CCCC1
O=C(CCCc1ccccc1)N1C[C@@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCNCC2)nn1 |r|
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCOCC2)nn1 |r|
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(COCc2ccccc2)nn1 |r|
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CC1 |r|
O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CCCCC1 |r|
O=C(CCCc1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
O=C(CCCc1ccccc1)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)N1CCCC1
O=C(CCCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(CCCc1ccccc1)NCC(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
O=C(CCCc1ccccc1)NCCC(=O)N1CCCC1
O=C(CCCc1cccs1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
O=C(CCCn1c2ccccc2nc(-c2ccccc2)c1=O)N1CCC[C@H]1C(=O)N1CCCC1 |r|
O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC[C@H]1C(=O)N1CCCC1 |r|
O=C(CCSC(C1CC1)C1CC1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
O=C(CC\C=C\C(C1CC1)C1CC1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:20.24,(9.28,-16.32,;7.95,-17.09,;7.93,-18.63,;9.28,-19.41,;9.26,-20.95,;10.61,-21.72,;11.31,-23.09,;10.94,-24.59,;11.34,-26.04,;9.89,-25.69,;12.74,-22.63,;14.17,-22.97,;13.77,-21.5,;6.6,-16.32,;5.27,-17.08,;3.95,-16.32,;3.95,-14.78,;5.27,-14,;4.5,-15.33,;5.98,-14.92,;6.6,-14.78,;7.95,-14.01,;9.28,-14.78,;7.95,-12.46,;6.72,-11.55,;7.18,-10.08,;8.72,-10.07,;9.19,-11.55,)|
O=C(CCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ncc[nH]1 |r|
O=C(CCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
O=C(CCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(CCc1cn(CC(=O)N2CCC[C@H]2C#N)nn1)N1Cc2ccccc2C1 |r|
O=C(CCn1c2ccccc2nc(-c2ccccc2)c1=O)N1CCC[C@H]1C(=O)N1CCCC1 |r|
O=C(CN(C1CC1)C(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r|
O=C(CN1Cc2ccccc2C1=O)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)C1=CC=NC2=NC=CC12)N1CCC[C@H]1C#N |r,c:8,12,t:6,10|
O=C(CNC(=O)C1CCNCC1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1c2CCCCc2nc2ccccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1c[nH]c2ccccc12)N1CCCC1C#N
O=C(CNC(=O)c1c[nH]c2ccccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cc(=O)[nH]c2ccccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCCC1C#N
O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccc(cc1)-c1cccs1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccc2ccccc2c1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cccc(c1)-c1ccccc1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cccc(c1)C(=O)NCC(=O)N1CCCC1)N1CCCC1
O=C(CNC(=O)c1cccc2ccccc12)N1CCCC1C#N
O=C(CNC(=O)c1cccc2ccccc12)N1CCCC[C@H]1C#N |r|
O=C(CNC(=O)c1cccc2ccccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cccc2cccnc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cccc2ccncc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cccc2cnccc12)N1CCCC1C#N
O=C(CNC(=O)c1cccc2cnccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cccc2ncccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccccc1)N1CCCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccccc1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc2[nH]ccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc2cc(Nc3ccccc3)ccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc2cc(ccc12)-c1ccccc1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc2cccc(-c3ccccc3)c12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc2ccccc12)N1CCCC1
O=C(CNC(=O)c1ccnc2ccccc12)N1CCCC1C#N
O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc2cnccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnc2ncnn12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccncc1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ccnnc1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cnc2ccccc2c1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cncc2ccccc12)N1CCCC1C#N
O=C(CNC(=O)c1cncc2ccccc12)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1cnn[nH]1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1nc[nH]n1)N1CCC[C@H]1C#N |r|
O=C(CNC(=O)c1ncn[nH]1)N1CCC[C@H]1C#N |r|
O=C(CNS(=O)(=O)c1cccc2ccccc12)N1CCC[C@H]1C#N |r|
O=C(CNc1ccc(cn1)C#N)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(COc1ccc2ccccc2c1)N1CCC[C@H]1C#N |r|
O=C(COc1ccc2ccccc2c1)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(COc1cccc2ccccc12)N1CCC[C@H]1C#N |r|
O=C(COc1cccc2ccccc12)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(C[C@@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCCC1
O=C(C[C@@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCSC1
O=C(C[C@@H]1CCc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCCC1
O=C(C[C@@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
O=C(C[C@@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCSC1
O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCCC1
O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCSC1
O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCCC1
O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCC[C@H]1C#N
O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCSC1
O=C(Cc1c[nH]cn1)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(Cc1cc2ccccc2o1)N1CCC[C@@H]1C(=O)N1CCCC1
O=C(Cc1cc2ccccc2s1)N1CSC[C@H]1C(=O)N1CCCC1
O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(Cc1cccs1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
O=C(Cc1cccs1)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(Cc1ccncc1)NCC(=O)N1CCC[C@H]1C#N |r|
O=C(Cn1cc(nn1)-c1cccc2ccccc12)N1CCC[C@H]1C#N |r|
O=C(Cn1cc(nn1)-c1ccccc1)N1CCC[C@H]1C#N |r|
O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
O=C(N1CCC[C@H]1C#N)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
O=C(NC1(CC1)C(=O)N1CCC[C@H]1C#N)c1ccnc2ccccc12 |r|
O=C(NC1CCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1
O=C(NCC(=O)N1CCC[C@@H]1C#N)OCc1ccccc1 |r|
O=C(NCC(=O)N1CCC[C@H]1C#N)OCc1ccccc1 |r|
O=C(NCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)OCc1ccccc1
O=C(NCCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)OCc1ccccc1
O=C(NCc1ccccc1)C1=C(CCC1)C(=O)N1CCCC1 |t:11|
O=C(NCc1ccccc1)C1=CCCC1C(=O)N1CCCC1 |t:11|
O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@@H]1C(=O)N1CCCC1
O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
O=C(NCc1ccccc1)c1ccccc1C(=O)N1CCC[C@H]1C#N |r|
O=C(N[C@@H]1C[C@@H]2SC[C@@H](C#N)N2C1=O)OCc1ccccc1 |r|
O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1
O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C(=O)c1ccsn1
O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C(=O)c1nccs1
O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C1OCCO1
O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C1SCCS1
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)C1=NOC(COCc2ccccc2)C1 |t:27|
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)C#N
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cccs1
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccon1
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCOC1 |r|
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCS(=O)C1 |r|
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCSC1 |r|
O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1ccnn1 |r|
O=C([C@@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)N1CCCC1
O=C([C@@H]1C2CCC(CC2)N1C(=O)C1CC1Cc1ccccc1)N1CCCC1 |wU:2.1,(13.05,-9.15,;11.72,-8.36,;10.39,-9.13,;9.06,-8.35,;7.73,-9.13,;7.73,-10.67,;9.06,-11.43,;9.76,-9.27,;8.28,-9.68,;10.39,-10.67,;11.72,-11.44,;13.05,-10.67,;11.72,-12.98,;10.95,-14.33,;12.49,-14.31,;13.82,-15.08,;13.81,-16.62,;15.13,-17.39,;15.12,-18.93,;13.77,-19.7,;12.44,-18.91,;12.47,-17.37,;11.74,-6.82,;12.98,-5.93,;12.49,-4.44,;10.97,-4.46,;10.5,-5.91,)|
O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1Cc1ccccc1)N1CCCC1 |wU:12.13,2.1,14.17,(13.05,-5,;11.72,-4.22,;10.39,-4.99,;9.06,-4.21,;7.73,-4.99,;7.73,-6.53,;9.06,-7.29,;9.76,-5.13,;8.29,-5.54,;10.39,-6.53,;11.72,-7.3,;13.05,-6.53,;11.72,-8.83,;10.95,-10.18,;12.49,-10.17,;13.82,-10.94,;13.82,-12.48,;15.13,-13.25,;15.13,-14.79,;13.77,-15.56,;12.44,-14.77,;12.47,-13.23,;11.74,-2.68,;12.98,-1.78,;12.49,-.29,;10.97,-.31,;10.51,-1.77,)|
O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1ccccc1)N1CCSC1 |wU:12.13,2.1,14.17,(12.4,-6.2,;11.07,-5.43,;9.73,-6.18,;8.4,-5.41,;7.07,-6.18,;7.07,-7.72,;8.4,-8.5,;9.1,-6.34,;7.62,-6.74,;9.73,-7.72,;11.07,-8.52,;12.4,-7.75,;11.07,-10.06,;10.3,-11.39,;11.84,-11.39,;13.17,-12.17,;13.17,-13.71,;14.5,-14.46,;15.84,-13.69,;15.84,-12.14,;14.5,-11.37,;11.08,-3.89,;12.31,-2.98,;11.84,-1.5,;10.3,-1.48,;9.8,-2.95,)|
O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1cccs1)N1CCCC1 |wU:12.13,2.1,14.17,(12.52,-6.41,;11.18,-5.63,;9.85,-6.41,;8.52,-5.62,;7.19,-6.41,;7.19,-7.95,;8.52,-8.71,;9.22,-6.55,;7.75,-6.95,;9.85,-7.95,;11.18,-8.72,;12.52,-7.95,;11.18,-10.26,;10.41,-11.6,;11.96,-11.6,;13.29,-12.37,;13.45,-13.91,;14.95,-14.22,;15.72,-12.88,;14.69,-11.74,;11.21,-4.09,;9.97,-3.18,;10.44,-1.71,;11.96,-1.68,;12.45,-3.18,)|
O=C([C@@H]1CCCN1C(=O)c1ccc(cc1)C(=O)N1CCCC1)N1CCC[C@H]1C#N
O=C([C@@H]1CCCN1C(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCCC1)N1CCC[C@H]1C#N
O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCCCCC1)N1CCC[C@H]1C#N
O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@@H]1C(=O)c1ccccc1)N1CCCC1
O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@@H]1C(=O)c1ccccc1)N1CCC[C@@H]1C#N
O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCCCC1)N1CCCC1
O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N)C1CCCCC1
O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N)N1CCCC1
O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCNCC1)N1CCCC1
O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)c1ccccc1)N1CCCC1
O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)c1ccccc1)N1CCC[C@H]1C#N
O=C([C@@H]1CCCN1C(=O)c1ccccc1)N1CCCC1
O=C([C@@H]1CCCN1C(=O)c1ccccc1)N1CCC[C@H]1C#N
O=C([C@@H]1CCCN1C(=O)c1ccccc1C(=O)N1CCCC1)N1CCCC1
O=C([C@@H]1CCCN1C(=O)c1ccccc1C(=O)N1CCCC1)N1CCC[C@H]1C#N
O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)C1=NCCS1 |t:26|
O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1ccccn1
O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1cncs1
O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1cscn1
O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1nc2ccccc2o1
O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1nc2ccccc2s1
O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1ncc[nH]1
O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1nccs1
O=C([C@@H]1CCCN1OCc1ccccc1)N1CCC[C@H]1C(=O)c1nc2ccccc2s1
O=C([C@@H]1CCCN1OCc1ccccc1)N1CCC[C@H]1C(=O)c1nccs1
O=C([C@@H]1C[C@@H]1Cc1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:2.1,22.27,4.5,(11.04,-7.7,;9.71,-8.47,;9.71,-10.01,;8.94,-11.35,;10.48,-11.34,;11.81,-12.11,;11.81,-13.65,;13.14,-14.4,;14.47,-13.63,;15.8,-14.4,;17.13,-13.61,;17.13,-12.07,;15.78,-11.32,;14.47,-12.09,;13.14,-11.32,;8.38,-7.7,;7.05,-8.45,;7.75,-6.3,;6.26,-6.7,;7.05,-5.37,;5.72,-6.16,;5.72,-7.7,;8.38,-6.16,;9.71,-5.39,;11.04,-6.17,;9.71,-3.85,;10.97,-2.95,;10.48,-1.45,;8.97,-1.48,;8.48,-2.94,)|
O=C([C@@H]1C[C@@H]1c1ccccc1)N1C2CCC(C2)[C@H]1C(=O)N1CCCC1
O=C([C@@H]1C[C@@H]1c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:2.1,18.22,4.5,(12.37,-7.7,;11.04,-8.47,;11.04,-9.99,;10.27,-11.35,;11.81,-11.34,;13.14,-12.11,;13.14,-13.65,;14.47,-14.4,;15.8,-13.63,;15.8,-12.09,;14.47,-11.32,;9.71,-7.7,;8.38,-8.45,;7.05,-7.7,;7.05,-6.16,;8.38,-5.37,;7.61,-6.7,;9.08,-6.3,;9.71,-6.16,;11.04,-5.39,;12.37,-6.17,;11.06,-3.85,;9.82,-2.94,;10.3,-1.48,;11.81,-1.45,;12.3,-2.95,)|
O=C([C@@H]1C[C@@H]1c1ccccc1)N1CSC[C@H]1C(=O)N1CCCC1
O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CC=CC1 |c:28|
O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCC=C1 |c:29|
O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1=O
O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCO1
O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCSC1
O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)n1cccc1
O=C([C@@H]1C[C@@H]1c1cccs1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
O=C([C@@H]1C[C@H]1c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |r,wU:2.1,18.22,wD:4.5,(-3.55,-32.74,;-4.32,-31.4,;-5.86,-31.4,;-7.2,-30.64,;-7.19,-32.18,;-7.95,-33.52,;-9.5,-33.52,;-10.26,-34.86,;-9.49,-36.19,;-7.94,-36.18,;-7.18,-34.84,;-3.7,-29.99,;-4.46,-28.67,;-3.68,-27.34,;-2.14,-27.35,;-1.39,-28.69,;-2.73,-29.37,;-3.13,-27.89,;-2.16,-30,;-1.4,-31.34,;-2.18,-32.67,;.14,-31.36,;1.04,-32.6,;2.51,-32.13,;2.52,-30.59,;1.05,-30.1,)|
O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CC=CC1 |r,c:28|
O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCC=C1 |r,c:29|
O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1 |r|
O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCO1 |r|
O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCSC1 |r|
O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)n1cccc1 |r|
O=C([C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)N1CCCC1
O=C([C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCCCC1)N1CCCC1
O=C([C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C#N)C1CCCCC1
O=C([C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCNCC1)N1CCCC1
O=C([C@H]1C[C@@H]1c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
O=C([C@H]1C[C@H]1c1ccccc1)N1C2CCC(C2)[C@H]1C(=O)N1CCCC1
O=C([C@H]1C[C@H]1c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:18.22,wD:2.1,4.5,(12.37,-7.7,;11.04,-8.47,;11.04,-9.99,;10.27,-11.35,;11.81,-11.34,;13.14,-12.11,;13.14,-13.65,;14.47,-14.4,;15.8,-13.63,;15.8,-12.09,;14.47,-11.32,;9.71,-7.7,;8.38,-8.45,;7.05,-7.7,;7.05,-6.16,;8.38,-5.37,;7.61,-6.7,;9.08,-6.3,;9.71,-6.16,;11.04,-5.39,;12.37,-6.17,;11.06,-3.85,;9.82,-2.94,;10.3,-1.48,;11.81,-1.45,;12.3,-2.95,)|
O=C([C@H]1C[C@H]1c1ccccc1)N1CSC[C@H]1C(=O)N1CCCC1
O=C([C@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
O=CC1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
O=CC1CSCN1C(=O)C1CSCN1C(=O)OCc1ccccc1
O=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
O=C[C@@H]1CCCN1C(=O)C1Cc2ccccc2N1C(=O)OCc1ccccc1
O=C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 |r|
O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC1Cc2ccccc2C1
O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)C[C@H]1CCc2ccccc2C1
O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCCC1C(=O)N1CCCC1
O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
O=C[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)CC1Cc2ccccc2C1
O=C[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1
O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)OCc1ccccc1
O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)OCc1ccccc1
O=C[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 |r|
O=C[C@@H]1CCCN1C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
O=C[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1
OB(O)[C@@H]1CCCN1C(=O)CCC(=O)c1ccccc1
OB(O)[C@@H]1CCCN1C(=O)CN1Cc2ccccc2C1=O
OB(O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCCC1
OB(O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCCCC1
OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1c(Cl)cccc1Cl
OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(Cl)ccc1Cl
OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc2ccccc12 |r|
OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1
OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1 |r|
OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccncc1 |r|
OB(O)[C@@H]1CCCN1C(=O)Cn1ccccc1=O
OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
OB(O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccnc2ccccc12)c1ccccc1 |r|
OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)NCc1ccc(Cl)cc1 |r|
OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 |r|
OC(C1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)c1nccs1
OC12CC3CC(C1)CC(C3)(C2)C(=O)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:4.3.2:6,THB:9:3:6:7.8.10,0:1:4:7.9.8,10:8:4:2.1.6,10:1:4:7.9.8,11:8:4:2.1.6,11:8:4.3.2:6|
OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
OC1CCN(C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1
OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC=C1C(=O)NCc1ccccc1 |c:15|
OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 |r|
OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 |r|
OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1
OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCCC1C(=O)N1CCCC1
OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)C1CCCC1
OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
OCC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC=C1C(=O)NCc1ccccc1 |c:15|
OCC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@@H]1C(=O)C1CCCC1
OCC1CCCN1C(=O)C1CCCN1C(=O)OCc1ccccc1
OC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
OC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|
OC[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Oc1ccc2c(c1)oc(-c1ccccc1)c(O)c2=O
Oc1cnc2ccccc2c1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@@H](-[#6@H]1-[#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@H]1-[#6]-[#6]-3)-[#6](-[#8])=O |r,c:12|
[#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]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@@H](-[#6]-c2ccccc-12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-[#6]-1-c2ccccc2-c2ccccc-12)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1C#N |r|
[11CH3]Nc1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N2CCCC2)cc1 |r|
[Br-].COC(=O)c1ccc(COc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)cc1
[Br-].COc1ccc(COc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)cc1
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC(C)c1ccccc1
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1cc(C)cc(C)c1
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(Br)cc1
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(C)cc1
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(Cl)c(Cl)c1
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(Cl)cc1
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(SC)cc1
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)C#N
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)C(C)C
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)C(F)(F)F
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)[N+]([O-])=O
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc2ccccc2c1
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1cccc(Br)c1
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1cccc(C)c1
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1cccc(Cl)c1
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1cccc(c1)[N+]([O-])=O
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccccc1
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccccc1Br
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccccc1C
[Br-].COc1cccc(COc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)c1
[H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@]([H])(NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@]([H])(NC(=O)[C@H](CS)NC(=O)CNC2=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O |r|
[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@]([H])(NC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@]4([H])CSSC[C@]([H])(NC(=O)CNC(=O)[C@]5([H])CCCN5C(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@]([H])(CSSC[C@]([H])(NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N4)NC(=O)[C@@]([H])(NC(=O)CNC(=O)CNC(=O)[C@@H](NC3=O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)[C@@H](C)O |r|
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O |r|
[H][C@@]12CN(Cc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:19|
[H][C@@]12CN(Cc3ccccc3)C(=O)[C@@]1([H])[C@H]([C@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:20|
[H][C@@]12CN(NC(=O)Cc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:22|
[H][C@@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:23|
[H][C@@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@@]1([H])[C@H]([C@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:24|
[H][C@@]12CN(OCc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:20|
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1c(F)cccc1F |r|
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1c(F)cccc1OC |r|
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1c(N)cccc1F |r|
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccc(NC(C)=O)cc1 |r|
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccc(NC(C)=O)cc1F |r|
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccc(NC(C)=O)cc1OC |r|
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1 |r|
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1F |r|
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1N |r|
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1OC |r|
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1SC |r|
[H][C@@]12Cc3ccc(O)c(Oc4ccc(C[C@]5([H])N(C)CCc6cc(OC)c(O)c(Oc7cc1c(CCN2C)cc7OC)c56)cc4)c3 |r|
[H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:19|
[H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:19|
[H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCCC1 |r,c:20|
[H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:20|
[H][C@]12CN(NC(=O)Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:22|
[H][C@]12CN(NC(=O)Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:22|
[H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C#N |r,c:23|
[H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:23|
[H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:23|
[H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCCC1 |r,c:24|
[H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:24|
[H][C@]12CN(OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:20|
[H][C@]12CN(OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:20|
[H][C@]12C[C@]([H])(C1(C)C)[C@@]1(C)OB(O[C@@]1([H])C2)[C@@H]1CCCN1C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
[H][C@]12Cc3ccc(Oc4cc(C[C@@]5([H])N(C)CCc6cc(OC)c(O)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4O)cc3 |r|
[H][C@]12Cc3ccc(Oc4cc(C[C@@]5([H])N(C)CCc6cc(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)cc(CN(CC)CC)c4O)cc3 |r|
[N-]=[N+]=N[C@@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
[N-]=[N+]=N[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
[N-]=[N+]=N[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
[N-]=[N+]=N[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccccc1 |r|
[N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
[N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
[N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
[O-][N+](=O)c1ccc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
[O-][N+](=O)c1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|