1758 SMILES Strings for Histone-lysine N-methyltransferase SMYD3

Compound Name
SMILES String
C=CC(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
C=CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,(8.62,-1.78,;7.29,-2.55,;5.96,-1.78,;5.96,-.24,;4.62,-2.55,;3.29,-1.78,;1.95,-2.55,;.62,-1.78,;.62,-.24,;1.95,.53,;3.29,-.24,;-.71,.53,;-2.05,-.24,;-2.05,-1.78,;-3.38,.53,;-4.84,.06,;-5.75,1.3,;-4.84,2.55,;-3.38,2.07,;-7.29,1.3,;-8.62,.53,;-8.62,2.07,)|
C=CS(=O)(=O)N1CC(C1)NC(=O)c1cc(on1)C1CC1
C=CS(=O)(=O)N1CCC(C1)NC(=O)c1cc(on1)C1CC1
C=CS(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
C=CS(=O)(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wD:9.12,6.5,(-8.62,1.5,;-7.29,.73,;-5.96,1.5,;-6.73,2.83,;-5.19,.16,;-4.62,2.27,;-3.29,1.5,;-1.95,2.27,;-.62,1.5,;-.62,-.04,;-1.95,-.81,;-3.29,-.04,;.71,-.81,;2.05,-.04,;2.05,1.5,;3.38,-.81,;4.84,-.34,;5.75,-1.58,;4.84,-2.83,;3.38,-2.35,;7.29,-1.58,;8.62,-.81,;8.62,-2.35,)|
C=CS(=O)(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-8.62,1.5,;-7.29,.73,;-5.96,1.5,;-6.73,2.83,;-5.19,.16,;-4.62,2.27,;-3.29,1.5,;-1.95,2.27,;-.62,1.5,;-.62,-.04,;-1.95,-.81,;-3.29,-.04,;.71,-.81,;2.05,-.04,;2.05,1.5,;3.38,-.81,;4.84,-.34,;5.75,-1.58,;4.84,-2.83,;3.38,-2.35,;7.29,-1.58,;8.62,-.81,;8.62,-2.35,)|
CC(=O)Nc1ccc(cc1)S(=O)(=O)C12CC3CC(CC(C1)N23)NC(=O)c1cc(on1)C1CC1
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)C1CCN(CC2CC2)CC1
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc2CC(=O)Nc2cc1Cl
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc[nH]n1
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)c1ccc2NC(=O)Cc2c1
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cccnc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)c1ccncc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)c1ccnn1C
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cn(C)cn1
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cn(nn1)C1CC1
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cnccn1
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cnn(C)c1
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:10:13:20.19.18:16.15|
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:10:13:20.19.18:16.15|
CC(=O)Nc1ccc(nc1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:13.13,wD:16.20,(-10,-2.69,;-8.67,-1.93,;-8.67,-.38,;-7.34,-2.69,;-6,-1.93,;-6,-.38,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-4.67,-2.69,;-2,.38,;-2,1.93,;-.67,-.38,;.67,.38,;.67,1.93,;2,2.69,;3.33,1.93,;3.33,.38,;2,-.38,;4.67,2.69,;6,1.93,;6,.38,;7.34,2.69,;8.67,1.92,;10,2.69,)|
CC(=O)Nc1ccc(nc1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:13.13,wD:16.17,(-7.34,-2.69,;-6,-1.93,;-6,-.38,;-4.67,-2.69,;-3.33,-1.93,;-3.33,-.38,;-2,.38,;-.67,-.38,;-.67,-1.93,;-2,-2.69,;.67,.38,;.67,1.93,;2,-.38,;3.33,.38,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;6,.38,;4.67,-.38,)|
CC(=O)Nc1cccc(c1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:13.13,wD:16.17,(-7.34,.38,;-6,-.38,;-6,-1.93,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;-.67,-.38,;-2,.38,;.67,.38,;.67,1.93,;2,-.38,;3.33,.38,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;6,.38,;4.67,-.38,)|
CC(=O)c1c[nH]c(c1)C(=O)NC1CCNCC1
CC(=O)c1c[nH]c(c1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:11.11,wD:14.15,(6.34,2.59,;5.57,1.26,;6.34,-.08,;4.03,1.26,;3.13,2.5,;1.66,2.03,;1.66,.49,;3.13,.01,;.33,-.28,;.33,-1.82,;-1.01,.49,;-2.34,-.28,;-2.34,-1.82,;-3.67,-2.59,;-5.01,-1.82,;-6.34,-2.59,;-5.01,-.28,;-3.67,.49,)|
CC(=O)c1c[nH]c(c1)C(=O)Nc1ccc(CN)cc1
CC(=O)c1cccc(c1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:12.12,wD:15.16,(6.67,-.38,;5.33,.38,;5.33,1.93,;4,-.38,;4,-1.93,;2.67,-2.69,;1.33,-1.93,;1.33,-.38,;2.67,.38,;,.38,;,1.93,;-1.33,-.38,;-2.67,.38,;-4,-.38,;-5.33,.38,;-5.33,1.93,;-6.67,2.69,;-4,2.69,;-2.67,1.93,)|
CC(C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN)n1nc(C)c(Br)c1C |r,wU:5.4,wD:8.11,(4.05,2.83,;4.05,1.29,;2.71,.52,;2.71,-1.02,;1.38,1.29,;.05,.52,;.05,-1.02,;-1.29,-1.79,;-2.62,-1.02,;-2.62,.52,;-1.29,1.29,;-3.96,-1.79,;-5.29,-1.02,;-5.29,.52,;-6.62,-1.79,;-7.96,-1.02,;-9.29,-1.79,;5.38,.52,;6.84,1,;7.75,-.25,;9.29,-.25,;6.84,-1.5,;7.61,-2.83,;5.38,-1.02,;4.05,-1.79,)|
CC(C(=O)N[C@H]1CC[C@H](N)CC1)n1nc(C)c(Br)c1C |r,wU:8.8,wD:5.4,(-1.38,-2.83,;-1.38,-1.29,;-.05,-.52,;-.05,1.02,;1.29,-1.29,;2.62,-.52,;3.96,-1.29,;5.29,-.52,;5.29,1.02,;6.62,1.79,;3.96,1.79,;2.62,1.02,;-2.71,-.52,;-4.18,-1,;-5.08,.25,;-6.62,.25,;-4.18,1.5,;-4.95,2.83,;-2.71,1.02,;-1.38,1.79,)|
CC(C)(C)C1CC(CCN1C(=O)CCCN)NC(=O)c1cc(on1)C1CC1
CC(C)(C)CCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:7.6,wD:10.10,(66.83,-2.39,;65.5,-3.15,;65.48,-4.68,;66.82,-3.91,;64.18,-2.37,;62.84,-3.12,;61.52,-2.34,;60.18,-3.1,;60.17,-4.64,;58.83,-5.4,;57.5,-4.61,;56.16,-5.38,;54.82,-4.6,;54.05,-3.26,;55.6,-3.26,;53.49,-5.37,;52.16,-4.59,;50.84,-5.37,;50.84,-6.91,;52.16,-7.67,;53.49,-6.91,;49.5,-7.68,;48.17,-6.92,;48.16,-5.38,;46.83,-7.69,;46.68,-9.22,;45.17,-9.54,;44.4,-8.21,;45.43,-7.07,;44.55,-10.95,;43.31,-11.86,;44.72,-12.48,;57.5,-3.08,;58.85,-2.32,)|
CC(C)(C)CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:6.5,wD:9.9,(29.02,-3.43,;27.7,-2.65,;27.72,-1.12,;29.02,-1.87,;26.37,-3.41,;25.05,-2.63,;23.71,-3.38,;23.69,-4.92,;22.36,-5.69,;21.03,-4.9,;19.69,-5.67,;18.35,-4.89,;17.58,-3.55,;19.12,-3.54,;17.02,-5.66,;15.69,-4.88,;14.36,-5.66,;14.36,-7.2,;15.69,-7.96,;17.02,-7.2,;13.03,-7.97,;11.69,-7.2,;11.69,-5.66,;10.36,-7.97,;10.21,-9.51,;8.7,-9.83,;7.92,-8.5,;8.96,-7.35,;8.08,-11.24,;6.83,-12.15,;8.24,-12.77,;21.03,-3.37,;22.37,-2.61,)|
CC(C)(CNC(=O)CCN)CNS(=O)(=O)c1ccc2NC(=O)Cc2c1
CC(C)(CNC(=O)CN)CNS(=O)(=O)c1ccc2NC(=O)Cc2c1
CC(C)(N)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r,TLB:10:13:16.15:20.19.18|
CC(C)(N)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1 |r,TLB:10:13:16.15:20.19.18|
CC(C)(NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1)c1ccccc1 |r,TLB:10:13:16.15:20.19.18|
CC(C)C1CC(CCN1C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:14.15,wD:11.11,(7.34,-2.84,;6.01,-3.61,;6.01,-5.15,;4.67,-2.84,;3.34,-3.61,;2.01,-2.84,;2.01,-1.3,;3.34,-.53,;4.67,-1.3,;6.01,-.53,;7.34,-1.3,;6.01,1.01,;7.34,1.78,;7.34,3.32,;6.01,4.09,;6.01,5.63,;4.67,3.32,;4.67,1.78,;.67,-3.61,;-.66,-2.84,;-.66,-1.3,;-2,-3.61,;-3.46,-3.14,;-4.37,-4.38,;-3.46,-5.63,;-2,-5.15,;-5.85,-3.98,;-6.94,-2.89,;-7.34,-4.38,)|
CC(C)C1CN(CCN1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17|
CC(C)C1CNCCN1S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:13:16:19.18:23.22.21|
CC(C)CCNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:12:15:18.17:22.21.20|
CC(C)CCN[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(9.4,-2.27,;8.07,-1.5,;8.07,.04,;6.73,-2.27,;5.4,-1.5,;4.07,-2.27,;2.73,-1.5,;1.4,-2.27,;.07,-1.5,;.07,.04,;1.4,.81,;2.73,.04,;-1.27,.81,;-2.6,.04,;-2.6,-1.5,;-3.93,.81,;-5.18,-.1,;-6.43,.81,;-5.95,2.27,;-4.41,2.27,;-7.91,.41,;-9.4,.81,;-9,-.68,)|
CC(C)CN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:12:15:18.17:22.21.20|
CC(C)CN(C)c1cc(ccn1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CN(C)c1cc(ccn1)S(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CN(C)c1ccc(cn1)S(=O)(=O)C12CC3CC(CC(C1)N23)NC(=O)c1cc(on1)C1CC1
CC(C)CN(C)c1ccc(cn1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CN(C)c1ccc(cn1)S(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CN(C)c1ccc(cn1)S(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CN(C)c1ncccc1S(=O)(=O)C12CC3CC(CC(C1)N23)NC(=O)c1cc(on1)C1CC1
CC(C)CN([C@H]1CC[C@@H](CC1)NC(=O)CCN)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,(5.4,-3.85,;4.07,-3.08,;4.07,-1.54,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
CC(C)CN([C@H]1CC[C@@H](CC1)NC(=O)C[C@@H](C)N)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,15.17,(5.4,-3.85,;4.07,-3.08,;4.07,-1.54,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;5.4,5.39,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
CC(C)CN([C@H]1CC[C@@H](CC1)NC(=O)C[C@H](C)N)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,15.17,wD:8.11,(5.4,-3.85,;4.07,-3.08,;4.07,-1.54,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;5.4,5.39,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
CC(C)CN1C2CCC1CN(C2)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:3:4:6.7:9.10.11,12:15:18.17:22.21.20|
CC(C)CN1CCC(CS(=O)(=O)N2CC[C@@H](C[C@@H]2C)NC(=O)c2cc(on2)C2CC2)CC1 |r|
CC(C)CN1CCC(CS(=O)(=O)N2CC[C@H](C[C@H]2C)NC(=O)c2cc(on2)C2CC2)CC1 |r|
CC(C)CN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:9:12:15.14:19.18.17|
CC(C)CN1CCC2(CN(C2)S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:11:14:17.16:21.20.19|
CC(C)CNC1CCN(CC1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:11:14:17.16:21.20.19|
CC(C)CNCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:10.9,wD:13.16,(11.4,.73,;10.07,1.5,;10.07,3.04,;8.73,.73,;7.4,1.5,;6.07,.73,;4.73,1.5,;3.4,.73,;3.4,-.81,;2.07,1.5,;.73,.73,;.73,-.81,;-.6,-1.58,;-1.93,-.81,;-1.93,.73,;-.6,1.5,;-3.27,-1.58,;-4.6,-.81,;-4.6,.73,;-5.94,-1.58,;-7.18,-.67,;-8.43,-1.58,;-7.95,-3.04,;-6.41,-3.04,;-9.91,-1.18,;-11,-.09,;-11.4,-1.58,)|
CC(C)CNCCCS(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CN[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,(8.73,.73,;7.4,1.5,;7.4,3.04,;6.07,.73,;4.73,1.5,;3.4,.73,;3.4,-.81,;2.07,-1.58,;.73,-.81,;.73,.73,;2.07,1.5,;-.6,-1.58,;-1.93,-.81,;-1.93,.73,;-3.27,-1.58,;-4.51,-.67,;-5.76,-1.58,;-5.28,-3.04,;-3.74,-3.04,;-7.25,-1.18,;-8.34,-.09,;-8.73,-1.58,)|
CC(C)CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:5.4,wD:8.8,(72.94,-47.45,;71.62,-46.67,;71.64,-45.14,;70.28,-47.43,;68.97,-46.65,;67.62,-47.4,;67.61,-48.94,;66.28,-49.71,;64.94,-48.92,;63.61,-49.69,;62.27,-48.91,;61.49,-47.57,;63.04,-47.56,;60.94,-49.68,;59.6,-48.9,;58.28,-49.68,;58.28,-51.22,;59.6,-51.98,;60.94,-51.22,;56.95,-51.99,;55.61,-51.22,;55.61,-49.68,;54.28,-51.99,;54.13,-53.53,;52.62,-53.85,;51.84,-52.52,;52.87,-51.37,;52,-55.26,;50.75,-56.17,;52.16,-56.79,;64.95,-47.39,;66.29,-46.63,)|
CC(C)CNc1ccc(cn1)S(=O)(=O)C12CC3CC(CC(C1)N23)NC(=O)c1cc(on1)C1CC1
CC(C)CNc1ccc(cn1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CNc1ccc(cn1)S(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CNc1ccc(cn1)S(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CNc1ccc(cn1)S(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CNc1ncccc1S(=O)(=O)C12CC3CC(CC(C1)N23)NC(=O)c1cc(on1)C1CC1
CC(C)CNc1ncccc1S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CS(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)CS(=O)(=O)N1CC[C@H](C[C@@H]1C)NCc1cc(on1)C1CC1 |r|
CC(C)CS(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)Cc1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCN(C)CC1 |r,TLB:20:19:16.15:13.12.18|
CC(C)N1CCC(CS(=O)(=O)N2CC[C@@H](C[C@@H]2C)NC(=O)c2cc(on2)C2CC2)CC1 |r|
CC(C)N1CCC(CS(=O)(=O)N2CC[C@H](C[C@H]2C)NC(=O)c2cc(on2)C2CC2)CC1 |r|
CC(C)N1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:8:11:14.13:18.17.16|
CC(C)NC1CCN(CC1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:10:13:16.15:20.19.18|
CC(C)NCCCS(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)OCCS(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)OCCS(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)OCCS(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)OCCS(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)[C@@H]1CN(CCN1C)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)[C@@H]1C[C@@H](CCN1S(=O)(=O)CCCN)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)[C@H]1C[C@@H](CCN1S(=O)(=O)CCCN)NC(=O)c1cc(on1)C1CC1 |r|
CC(C)c1cc(C[C@@H](CO)C(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)ccc1O |r|
CC(C)c1cc(C[C@H](CN)C(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)ccc1O |r|
CC(C)c1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCN(C)CC1 |r,TLB:19:18:15.14:12.11.17|
CC(C)c1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(N)CC1 |r,TLB:19:18:15.14:12.11.17|
CC(C)c1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@H]1CC[C@H](N)CC1 |r,wU:22.24,16.19,13.20,wD:11.11,25.28,TLB:19:18:15.14:12.11.17,(9.81,.1,;8.47,-.67,;8.47,-2.21,;7.14,.1,;5.68,-.37,;4.77,.87,;5.68,2.12,;7.14,1.64,;3.23,.87,;2.46,2.21,;2.46,-.46,;.92,-.46,;.25,-1.85,;-1.25,-2.19,;-2.45,-1.23,;-2.45,.31,;-1.25,1.27,;.25,.93,;-2.11,-.44,;-3.65,-.44,;-3.65,1.1,;-3.65,-1.98,;-5.19,-.44,;-5.96,-1.78,;-7.5,-1.78,;-8.27,-.44,;-9.81,-.44,;-7.5,.89,;-5.96,.89,)|
CC(CC(=O)NC(C1CCNCC1)c1ccccc1)C1CC1
CC(CC(=O)N[C@H]1CC[C@H](N)CC1)C1CC1 |r,wU:6.5,wD:9.9,(-3.23,1.44,;-3.23,-.1,;-1.9,-.87,;-.56,-.1,;-.56,1.44,;.77,-.87,;2.1,-.1,;2.1,1.44,;3.44,2.21,;4.77,1.44,;6.1,2.21,;4.77,-.1,;3.44,-.87,;-4.56,-.87,;-6.1,-.87,;-5.33,-2.21,)|
CC(CN)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,(6.73,3.04,;6.73,1.5,;8.07,.73,;9.4,1.5,;5.4,.73,;5.4,-.81,;4.07,1.5,;2.73,.73,;2.73,-.81,;1.4,-1.58,;.07,-.81,;.07,.73,;1.4,1.5,;-1.27,-1.58,;-2.6,-.81,;-2.6,.73,;-3.93,-1.58,;-5.18,-.67,;-6.43,-1.58,;-5.95,-3.04,;-4.41,-3.04,;-7.91,-1.18,;-9,-.09,;-9.4,-1.58,)|
CC(CN1CCCC1)C(=O)NC(C1CCNCC1)c1ccccc1
CC(N)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2NC(=O)Cc2c1 |r,wU:6.5,wD:9.12,(-9.29,-1.15,;-7.96,-1.93,;-7.96,-3.47,;-6.62,-1.15,;-6.62,.38,;-5.29,-1.93,;-3.96,-1.15,;-3.96,.38,;-2.62,1.15,;-1.29,.38,;-1.29,-1.15,;-2.62,-1.93,;.05,1.15,;1.38,.38,;1.38,-1.15,;2.71,1.15,;2.71,2.69,;4.05,3.47,;5.38,2.69,;6.84,3.17,;7.75,1.93,;9.29,1.93,;6.84,.68,;5.38,1.15,;4.05,.38,)|
CC(N)CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,(-9.4,-2.27,;-8.07,-1.5,;-8.07,.04,;-6.73,-2.27,;-5.4,-1.5,;-5.4,.04,;-4.07,-2.27,;-2.73,-1.5,;-2.73,.04,;-1.4,.81,;-.07,.04,;-.07,-1.5,;-1.4,-2.27,;1.27,.81,;2.6,.04,;2.6,-1.5,;3.93,.81,;5.18,-.1,;6.43,.81,;5.95,2.27,;4.41,2.27,;7.91,.41,;9,-.68,;9.4,.81,)|
CC(N)CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2NC(=O)Cc2c1 |r,wU:7.6,wD:10.13,(-9.96,-2.69,;-8.62,-1.93,;-8.62,-.38,;-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,-2.69,;-3.29,-1.93,;-3.29,-.38,;-1.95,.38,;-.62,-.38,;-.62,-1.93,;-1.95,-2.69,;.71,.38,;2.05,-.38,;2.05,-1.93,;3.38,.38,;3.38,1.93,;4.71,2.69,;6.05,1.93,;7.51,2.4,;8.42,1.15,;9.96,1.15,;7.51,-.09,;6.05,.38,;4.71,-.38,)|
CC1(C)CC(CCN1C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:10.10,wD:13.14,(4.21,-.53,;2.67,-.53,;3.44,-1.87,;1.34,-1.3,;.01,-.53,;.01,1.01,;1.34,1.78,;2.67,1.01,;4.01,1.78,;4.01,3.32,;5.34,1.01,;6.67,1.78,;8.01,1.01,;8.01,-.53,;9.34,-1.3,;6.67,-1.3,;5.34,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
CC1(C)CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)CC1CCNCC1
CC1(C)CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)CCCN
CC1(C)CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:21.23,wD:24.27,(1.53,1.01,;-.01,1.01,;.76,2.34,;-1.34,1.78,;-2.67,1.01,;-2.67,-.53,;-1.34,-1.3,;-.01,-.53,;1.33,-1.3,;2.66,-.53,;2.66,1.01,;4,-1.3,;5.46,-.83,;6.37,-2.07,;5.46,-3.32,;4,-2.84,;7.85,-1.67,;9.34,-2.07,;8.94,-.58,;-4.01,1.78,;-4.01,3.32,;-5.34,1.01,;-5.34,-.53,;-6.67,-1.3,;-8.01,-.53,;-9.34,-1.3,;-8.01,1.01,;-6.67,1.78,)|
CC1(C)CN(CCN1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:18.17.16:14.13|
CC1(CCN(CC1)C(=O)CC1CCNCC1)NC(=O)c1cc(on1)C1CC1
CC1(CCN(CC1)C(=O)CCCN)NC(=O)c1cc(on1)C1CC1
CC1(CCN(CC1)C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:9.9,wD:12.13,(-.01,-2.07,;-.01,-.53,;-1.34,-1.3,;-2.67,-.53,;-2.67,1.01,;-1.34,1.78,;-.01,1.01,;-4.01,1.78,;-4.01,3.32,;-5.34,1.01,;-5.34,-.53,;-6.67,-1.3,;-8.01,-.53,;-9.34,-1.3,;-8.01,1.01,;-6.67,1.78,;1.33,-1.3,;2.66,-.53,;2.66,1.01,;4,-1.3,;5.46,-.83,;6.37,-2.07,;5.46,-3.32,;4,-2.84,;7.85,-1.67,;9.34,-2.07,;8.94,-.58,)|
CC1(CCN(CC1)S(=O)(=O)CCCN)NC(=O)c1cc(on1)C1CC1
CC1(CCNCC1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
CC1(CNC(=O)c2ccc3NC(=O)Cc3c2)CCNCC1
CC1(N)CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
CC1=NN(C(=O)C1)c1ccc(cc1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:16.17,wD:19.24,t:1,(10.62,2.31,;9.08,2.31,;8.18,1.06,;6.71,1.54,;6.71,3.08,;5.38,3.85,;8.18,3.56,;5.38,.77,;5.38,-.77,;4.05,-1.54,;2.71,-.77,;2.71,.77,;4.05,1.54,;1.38,-1.54,;1.38,-3.08,;.05,-.77,;-1.29,-1.54,;-1.29,-3.08,;-2.62,-3.85,;-3.96,-3.08,;-3.96,-1.54,;-2.62,-.77,;-5.29,-3.85,;-6.62,-3.08,;-6.62,-1.54,;-7.96,-3.85,;-9.29,-3.08,;-10.62,-3.85,)|
CC1=NN(C(=O)C1)c1ccc(cc1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:16.17,wD:19.21,t:1,(-7.96,-2.31,;-6.42,-2.31,;-5.51,-1.06,;-4.05,-1.54,;-4.05,-3.08,;-2.71,-3.85,;-5.51,-3.56,;-2.71,-.77,;-2.71,.77,;-1.38,1.54,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;1.29,1.54,;1.29,3.08,;2.62,.77,;3.96,1.54,;3.96,3.08,;5.29,3.85,;6.62,3.08,;7.96,3.85,;6.62,1.54,;5.29,.77,)|
CC1C(CCN(C1C)C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:10.10,wD:13.14,(1.34,-2.84,;1.34,-1.3,;.01,-.53,;.01,1.01,;1.34,1.78,;2.67,1.01,;2.67,-.53,;4.01,-1.3,;4.01,1.78,;4.01,3.32,;5.34,1.01,;6.67,1.78,;8.01,1.01,;8.01,-.53,;9.34,-1.3,;6.67,-1.3,;5.34,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
CC1CC(CC(=O)N2CCC(C[C@@H]2C)NC(=O)c2cc(on2)C2CC2)CCN1 |r|
CC1CC(CC(=O)N2CCC(C[C@H]2C)NC(=O)c2cc(on2)C2CC2)CCN1 |r|
CC1CC(CCN1C(=O)Cc1c[nH]cn1)NC(=O)c1cc(on1)C1CC1
CC1CC(CCN1C(=O)Cc1ncc[nH]1)NC(=O)c1cc(on1)C1CC1
CC1CC(CS(=O)(=O)N2CC[C@@H](C[C@@H]2C)NC(=O)c2cc(on2)C2CC2)CC(C)N1 |r|
CC1CC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC(C)N1 |r,TLB:5:8:11.10:15.14.13|
CC1CC(N)CCN1S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC1CC(N)CCN1S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
CC1CCCN1CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:18.17.16:14.13|
CC1CN(C(C)CC1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:21.23,wD:24.27,(-1.33,1.78,;.01,1.01,;1.34,1.78,;2.67,1.01,;2.67,-.53,;4.01,-1.3,;1.34,-1.3,;.01,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,;4.01,1.78,;4.01,3.32,;5.34,1.01,;6.67,1.78,;8.01,1.01,;8.01,-.53,;9.34,-1.3,;6.67,-1.3,;5.34,-.53,)|
CC1CN(C(C)CN1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
CC1CN(C(C)CN1C)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17|
CC1CN(C)CCN1S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
CC1CN(CC(C)C1NC(=O)c1cc(on1)C1CC1)C(=O)CCCN
CC1CN(CC(C)C1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:21.23,wD:24.27,(-1.34,-2.84,;-1.34,-1.3,;-2.67,-.53,;-2.67,1.01,;-1.34,1.78,;-.01,1.01,;1.33,1.78,;-.01,-.53,;1.33,-1.3,;2.66,-.53,;2.66,1.01,;4,-1.3,;5.46,-.83,;6.37,-2.07,;5.46,-3.32,;4,-2.84,;7.85,-1.67,;9.34,-2.07,;8.94,-.58,;-4.01,1.78,;-4.01,3.32,;-5.34,1.01,;-5.34,-.53,;-6.67,-1.3,;-8.01,-.53,;-9.34,-1.3,;-8.01,1.01,;-6.67,1.78,)|
CC1CN(CC(C)N1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC1CN(CC(C)N1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:18.17.16:14.13|
CC1CN(CC(C)N1C)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:19.18.17:15.14|
CC1CN(CCC1N)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC1CN(CCC1N)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
CC1CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)CCN
CC1CN(CCC1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCCN
CC1CN(CCN1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:13.12:17.16.15|
CC1CN(CCN1C)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:18.17.16:14.13|
CC1CNCCC1CC(=O)N1CCC(C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC1CNCCC1CC(=O)N1CCC(C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC1CNCCN1S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:13.12:17.16.15|
CC1Oc2ccc(cc2NC1=O)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:15.16,wD:18.23,(10,2.69,;8.67,1.93,;7.34,2.69,;6,1.93,;4.67,2.69,;3.33,1.93,;3.33,.38,;4.67,-.38,;6,.38,;7.34,-.38,;8.67,.38,;10,-.38,;2,-.38,;2,-1.93,;.67,.38,;-.67,-.38,;-.67,-1.93,;-2,-2.69,;-3.33,-1.93,;-3.33,-.38,;-2,.38,;-4.67,-2.69,;-6,-1.93,;-6,-.38,;-7.34,-2.69,;-8.67,-1.93,;-10,-2.69,)|
CC1Oc2ccc(cc2NC1=O)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:15.16,wD:18.20,(7.34,2.69,;6,1.93,;4.67,2.69,;3.33,1.93,;2,2.69,;.67,1.93,;.67,.38,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;7.34,-.38,;-.67,-.38,;-.67,-1.93,;-2,.38,;-3.33,-.38,;-3.33,-1.93,;-4.67,-2.69,;-6,-1.93,;-7.34,-2.69,;-6,-.38,;-4.67,.38,)|
CCC(=O)Nc1cccc(c1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:17.18,wD:14.14,(-8,.38,;-6.67,-.38,;-5.33,.38,;-5.33,1.93,;-4,-.38,;-2.67,.38,;-2.67,1.93,;-1.33,2.69,;,1.93,;,.38,;-1.33,-.38,;1.33,-.38,;1.33,-1.93,;2.67,.38,;4,-.38,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;8,-2.69,;6.67,-.38,;5.33,.38,)|
CCC(=O)c1c[nH]c(c1)C(=O)NC(C1CCNCC1)c1ccccc1
CCC(=O)c1c[nH]c(c1)C(=O)Nc1ccc(CN)cc1
CCC1(CCCN1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(1.48,2.69,;1.48,1.15,;2.82,.38,;3.72,-.86,;5.19,-.38,;5.19,1.15,;3.72,1.63,;1.48,-.38,;1.48,-1.93,;.15,.38,;-1.18,-.38,;-1.18,-1.93,;-2.52,-2.69,;-3.85,-1.93,;-5.19,-2.69,;-3.85,-.38,;-2.52,.38,)|
CCC1(CCNCC1)C(=O)N1CCC(C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCC1(CCNCC1)C(=O)N1CCC(C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCC1CN(C)CCN1S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17|
CCC1CN(CCN1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:18.17.16:14.13|
CCC1CN(CCN1C)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:19.18.17:15.14|
CCC1CNCCN1S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCC1CNCCN1S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
CCCC1CC(CCN1C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:11.11,wD:14.15,(5.34,-3.46,;4.01,-2.69,;4.01,-1.15,;2.67,-.39,;1.34,-1.16,;.01,-.39,;.01,1.15,;1.34,1.92,;2.67,1.15,;4.01,1.92,;4.01,3.46,;5.34,1.16,;6.67,1.93,;8.01,1.16,;8.01,-.38,;9.34,-1.15,;6.67,-1.15,;5.34,-.38,;-1.33,-1.16,;-2.66,-.39,;-2.66,1.15,;-4,-1.16,;-5.46,-.68,;-6.37,-1.93,;-5.46,-3.17,;-4,-2.7,;-7.85,-1.53,;-8.94,-.44,;-9.34,-1.93,)|
CCCCC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1
CCCCC1CC1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(-7.44,-.87,;-6.1,-.1,;-4.77,-.87,;-3.44,-.1,;-2.1,-.87,;-1.33,-2.21,;-.56,-.87,;.77,-.1,;.77,1.44,;2.1,-.87,;3.44,-.1,;3.44,1.44,;4.77,2.21,;6.1,1.44,;7.44,2.21,;6.1,-.1,;4.77,-.87,)|
CCCCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:5.4,wD:8.8,(24.87,-46.28,;23.54,-47.04,;22.22,-46.26,;20.88,-47.01,;19.56,-46.23,;18.22,-46.99,;18.21,-48.53,;16.87,-49.29,;15.54,-48.5,;14.2,-49.27,;12.87,-48.49,;12.09,-47.15,;13.64,-47.14,;11.53,-49.26,;10.2,-48.48,;8.88,-49.26,;8.88,-50.8,;10.2,-51.56,;11.53,-50.8,;7.55,-51.57,;6.21,-50.81,;6.21,-49.27,;4.88,-51.58,;4.72,-53.11,;3.22,-53.43,;2.44,-52.1,;3.47,-50.95,;2.6,-54.84,;1.35,-55.75,;2.76,-56.37,;15.54,-46.97,;16.89,-46.21,)|
CCCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1
CCCCS(=O)(=O)N1CC[C@@H](C[C@@H]1C)NCc1cc(on1)C1CC1 |r|
CCCCS(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCCCS(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCCCS(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCCN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:11:14:17.16:21.20.19|
CCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:8:11:14.13:18.17.16|
CCCNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:10:13:16.15:20.19.18|
CCCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:4.3,wD:7.7,(72.52,-31.2,;71.2,-30.42,;69.86,-31.18,;68.55,-30.4,;67.2,-31.15,;67.19,-32.69,;65.86,-33.46,;64.53,-32.67,;63.19,-33.44,;61.85,-32.66,;61.08,-31.32,;62.62,-31.31,;60.52,-33.43,;59.19,-32.65,;57.86,-33.43,;57.86,-34.97,;59.19,-35.73,;60.52,-34.97,;56.53,-35.74,;55.19,-34.97,;55.19,-33.43,;53.86,-35.74,;53.71,-37.27,;52.2,-37.6,;51.43,-36.27,;52.46,-35.12,;51.59,-39,;50.34,-39.91,;51.75,-40.54,;64.53,-31.14,;65.87,-30.38,)|
CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3C(C)CCCc3nc2c1
CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CC(C)CCc3nc2c1
CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CC(CN)CCc3nc2c1
CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCC(C)Cc3nc2c1
CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCC(CN)Cc3nc2c1
CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1
CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(C)cc1
CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(OC)cc1
CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C(=O)NC
CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1
CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)ccnc2c1
CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C1(N)CC1 |r|
CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1 |r|
CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2ccc(nc2c1)-c1ccccc1 |r|
CCCOC(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2c(Cl)c3CCC(CN)Cc3nc2c1 |r|
CCCOC(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 |r|
CCCOC(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 |r|
CCCS(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCCS(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCCS(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCC[C@@H]1C[C@@H](CCN1S(=O)(=O)CC1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
CCC[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
CCC[C@H]1C[C@H](CCN1S(=O)(=O)CCCN)NC(=O)c1cc(on1)C1CC1 |r|
CCCc1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCN(C)CC1 |r,TLB:19:18:15.14:12.11.17|
CCN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:10:13:16.15:20.19.18|
CCN(CC)C1CCN(CC1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCN(CC)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:11:14:17.16:21.20.19|
CCN(CC)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCN(CCCC(F)(F)F)[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:10.9,wD:13.13,(60.74,-28.78,;59.41,-29.53,;59.39,-31.06,;60.71,-31.84,;62.05,-31.09,;63.37,-31.87,;64.71,-31.12,;66.03,-31.9,;64.72,-29.58,;66.02,-30.34,;58.05,-31.82,;58.04,-33.36,;56.7,-34.12,;55.37,-33.33,;54.03,-34.1,;52.7,-33.32,;51.92,-31.98,;53.47,-31.98,;51.36,-34.1,;50.03,-33.31,;48.71,-34.1,;48.71,-35.64,;50.03,-36.4,;51.36,-35.64,;47.37,-36.41,;46.04,-35.64,;46.03,-34.1,;44.7,-36.41,;44.55,-37.94,;43.04,-38.26,;42.27,-36.94,;43.3,-35.79,;42.43,-39.67,;41.18,-40.58,;42.59,-41.21,;55.37,-31.8,;56.72,-31.04,)|
CCN1C2CCC1CN(C2)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:1:2:4.5:7.8.9,10:13:16.15:20.19.18|
CCN1CCC(CC1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
CCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:7:10:13.12:17.16.15|
CCN1CCN(CC1)S(=O)(=O)N1C2CCC[C@@H]1CC(C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:18.17.19:13.15.14|
CCN1CCN(CC1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCNC1CCN(CC1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17|
CCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:3.2,wD:6.6,(45.9,-30.68,;44.56,-31.43,;43.24,-30.65,;41.9,-31.41,;41.89,-32.95,;40.56,-33.71,;39.22,-32.92,;37.89,-33.69,;36.55,-32.91,;35.77,-31.57,;37.32,-31.57,;35.22,-33.68,;33.88,-32.9,;32.56,-33.68,;32.56,-35.22,;33.88,-35.98,;35.22,-35.22,;31.23,-35.99,;29.89,-35.23,;29.89,-33.69,;28.56,-36,;28.41,-37.53,;26.9,-37.85,;26.13,-36.52,;27.16,-35.38,;26.28,-39.26,;25.04,-40.17,;26.45,-40.79,;39.23,-31.39,;40.57,-30.63,)|
CCOC(=O)C(NC(=O)c1ccc2NC(=O)Cc2c1)C1CCN(CC1)C(=O)[C@H](C)N |r|
CCOC(=O)C(NC(=O)c1ccc2NC(=O)Cc2c1)C1CCNCC1
CCOC(=O)C1(CNC(=O)c2ccc3NC(=O)Cc3c2)CCN(CC1)C(=O)[C@H](C)N |r|
CCOC(=O)C1(CNC(=O)c2ccc3NC(=O)Cc3c2)CCNCC1
CCOC(=O)C1CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)CC1CCNCC1
CCOC(=O)C1CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)CCCN
CCOC(=O)C1CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:27.30,wD:24.26,(-3.75,-6.69,;-2.66,-5.6,;-3.06,-4.12,;-1.97,-3.03,;-.48,-3.43,;-2.37,-1.54,;-3.86,-1.14,;-4.26,.35,;-3.17,1.43,;-1.68,1.04,;-1.28,-.45,;.21,-.85,;1.3,.24,;.9,1.73,;2.78,-.16,;3.69,1.09,;5.15,.61,;5.15,-.93,;3.69,-1.41,;6.49,1.38,;8.03,1.38,;7.26,2.71,;-5.74,.74,;-6.83,-.35,;-6.14,2.23,;-5.05,3.32,;-5.45,4.81,;-6.94,5.21,;-7.34,6.69,;-8.03,4.12,;-7.63,2.63,)|
CCOC(=O)C1CN(CCC1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCCN
CCOC(=O)CCCC(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:14.14,wD:11.10,(8,-1.54,;6.67,-.77,;5.33,-1.54,;4,-.77,;4,.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-6.67,-.77,;-5.33,-1.54,)|
CCOC(=O)CS(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCOC(=O)CS(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCOC(=O)CS(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCOC(=O)CS(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(C)c3CCCCc3nc2c1
CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCCc3nc2c1
CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1
CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCc3nc2c1
CCOC(=O)N1CCN(CC1)C(=O)c1ccc2cc3CCCCc3nc2c1
CCOC(=O)[C@@H]1CC(CCN1C(=O)CCCN)NC(=O)c1cc(on1)C1CC1 |r|
CCOC(=O)[C@@H]1CC(CCN1C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:5.4,13.13,wD:16.17,(6,-3.01,;4.67,-3.78,;3.33,-3.01,;2,-3.78,;2,-5.32,;.67,-3.01,;.67,-1.47,;-.67,-.7,;-2,-1.47,;-2,-3.01,;-.67,-3.78,;-.67,-5.32,;.67,-6.09,;-2,-6.09,;-2,-7.63,;-3.33,-8.4,;-4.67,-7.63,;-6,-8.4,;-4.67,-6.09,;-3.33,-5.32,;-.67,.84,;-2,1.61,;-3.33,.84,;-2,3.15,;-3.25,4.06,;-2.77,5.52,;-1.23,5.52,;-.75,4.06,;-3.54,6.86,;-3.54,8.4,;-4.87,7.63,)|
CCS(=O)(=O)C(C)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:13.13,wD:10.9,(-6,,;-4.67,.77,;-3.33,,;-2.56,1.33,;-4.1,-1.33,;-2,-.77,;-2,-2.31,;-.67,,;-.67,1.54,;.67,-.77,;2,,;3.33,-.77,;4.67,,;4.67,1.54,;6,2.31,;3.33,2.31,;2,1.54,)|
CCS(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
CCS(=O)(=O)N1CCC(C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCS(=O)(=O)N1CCC(C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCS(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCS(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCS(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCS(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CCS(=O)(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-8.73,1.22,;-7.4,.45,;-6.07,1.22,;-6.84,2.55,;-5.3,-.11,;-4.73,1.99,;-3.4,1.22,;-2.07,1.99,;-.73,1.22,;-.73,-.32,;-2.07,-1.09,;-3.4,-.32,;.6,-1.09,;1.93,-.32,;1.93,1.22,;3.27,-1.09,;4.51,-.18,;5.76,-1.09,;5.28,-2.55,;3.74,-2.55,;7.25,-.69,;8.73,-1.09,;8.34,.4,)|
CC[C@@H]1CC(CCN1C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:10.10,wD:2.1,13.14,(4.01,-2.84,;4.01,-1.3,;2.67,-.53,;1.34,-1.3,;.01,-.53,;.01,1.01,;1.34,1.78,;2.67,1.01,;4.01,1.78,;4.01,3.32,;5.34,1.01,;6.67,1.78,;8.01,1.01,;8.01,-.53,;9.34,-1.3,;6.67,-1.3,;5.34,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
CC[C@@H]1CN(CCN1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC[C@@H]1CN(CCN1C)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC[C@@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CCCN |r|
CC[C@@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:21.23,2.1,7.8,wD:24.27,(3.33,2.16,;2,2.93,;.66,2.16,;-.67,2.93,;-2.01,2.16,;-2.01,.62,;-.67,-.15,;.66,.62,;2,-.15,;2,-1.69,;.66,-2.46,;3.33,-2.46,;4.79,-1.98,;5.7,-3.23,;4.79,-4.47,;3.33,-4,;7.19,-2.83,;8.67,-3.23,;8.28,-1.74,;-3.34,2.93,;-3.34,4.47,;-4.67,2.16,;-4.67,.62,;-6.01,-.15,;-7.34,.62,;-8.67,-.15,;-7.34,2.16,;-6.01,2.93,)|
CC[C@@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CCCN |r|
CC[C@@H]1C[C@@H](CCN1S(=O)(=O)CC1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
CC[C@@H]1C[C@@H](N)CC[C@@H]1NC(=O)c1cc(CC)on1 |r|
CC[C@@H]1C[C@H](CC[C@@H]1NC(=O)c1cc(CC)on1)NC(=O)C[C@@H](C)N |r|
CC[C@@H]1C[C@H](CC[C@@H]1NC(=O)c1cc(CC)on1)NC(=O)C[C@H](C)N |r|
CC[C@H]1CC(CCN1C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:10.10,2.1,wD:13.14,(4.01,-2.84,;4.01,-1.3,;2.67,-.53,;1.34,-1.3,;.01,-.53,;.01,1.01,;1.34,1.78,;2.67,1.01,;4.01,1.78,;4.01,3.32,;5.34,1.01,;6.67,1.78,;8.01,1.01,;8.01,-.53,;9.34,-1.3,;6.67,-1.3,;5.34,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
CC[C@H]1CC(C[C@@H](CC)N1C(=O)CCCN)NC(=O)c1cc(on1)C1CC1 |r|
CC[C@H]1CN(CCN1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)C1CC1)C(=O)C1CC[C@H](N)CC1 |r,wU:7.8,wD:24.27,2.1,(3.33,2.16,;2,2.93,;.66,2.16,;-.67,2.93,;-2.01,2.16,;-2.01,.62,;-.67,-.15,;.66,.62,;2,-.15,;2,-1.69,;.66,-2.46,;3.33,-2.46,;4.79,-1.98,;5.7,-3.23,;4.79,-4.47,;3.33,-4,;7.19,-2.83,;8.67,-3.23,;8.28,-1.74,;-3.34,2.93,;-3.34,4.47,;-4.67,2.16,;-4.67,.62,;-6.01,-.15,;-7.34,.62,;-8.67,-.15,;-7.34,2.16,;-6.01,2.93,)|
CC[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CC1CCNCC1 |r|
CC[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CCCN |r|
CC[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CCCN |r|
CC[C@H]1CNCCN1S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CC[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
CCc1cc(C(=O)N[C@H]2CC[C@H](N)CC2)n(C)n1 |r,wU:8.7,wD:11.11,(6.34,2.49,;5.57,1.15,;4.03,1.15,;3.13,-.09,;1.66,.38,;.33,-.38,;.33,-1.93,;-1.01,.38,;-2.34,-.38,;-2.34,-1.93,;-3.67,-2.69,;-5.01,-1.93,;-6.34,-2.69,;-5.01,-.38,;-3.67,.38,;1.66,1.93,;.33,2.69,;3.13,2.4,)|
CCc1cc(no1)C(=O)N[C@@H]1CCN([C@@H](C)C1)S(=O)(=O)c1ccc(cc1)C(C)(C)N |r|
CCc1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCN(C)CC1 |r,TLB:18:17:14.13:11.10.16|
CCc1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCN(CCCC(F)(F)F)CC1 |r,TLB:18:17:14.13:11.10.16|
CCc1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1 |r,TLB:18:17:11.10.16:14.13|
CCc1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(N)CC1 |r,TLB:18:17:14.13:11.10.16|
CCc1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@@H]1CC[C@@H](CC1)NCCO |r,wU:15.18,12.19,wD:24.30,21.23,10.10,TLB:18:17:14.13:11.10.16,(11.36,.09,;10.02,-.68,;8.69,.09,;7.23,-.39,;6.32,.86,;7.23,2.1,;8.69,1.63,;4.78,.86,;4.01,2.19,;4.01,-.48,;2.47,-.48,;1.8,-1.86,;.3,-2.21,;-.9,-1.25,;-.9,.29,;.3,1.25,;1.8,.91,;-.58,-.46,;-2.12,-.46,;-2.12,1.08,;-2.12,-2,;-3.66,-.46,;-4.43,-1.79,;-5.97,-1.79,;-6.74,-.46,;-5.97,.87,;-4.43,.87,;-8.28,-.46,;-9.05,.87,;-10.59,.87,;-11.36,2.21,)|
CCc1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@@H]1CC[C@H](N)CC1 |r,wU:15.18,12.19,wD:24.27,21.23,10.10,TLB:18:17:14.13:11.10.16,(9.81,.1,;8.47,-.67,;7.14,.1,;5.68,-.38,;4.77,.87,;5.68,2.11,;7.14,1.64,;3.23,.87,;2.46,2.2,;2.46,-.47,;.92,-.47,;.25,-1.86,;-1.25,-2.2,;-2.45,-1.24,;-2.45,.3,;-1.25,1.26,;.25,.92,;-2.11,-.4,;-3.65,-.4,;-3.65,1.14,;-3.65,-1.94,;-5.19,-.4,;-5.96,-1.73,;-7.5,-1.73,;-8.27,-.4,;-9.81,-.4,;-7.5,.94,;-5.96,.94,)|
CCc1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@H]1CC[C@@H](CC1)NCCO |r,wU:15.18,12.19,21.23,wD:10.10,24.30,TLB:18:17:14.13:11.10.16,(11.35,.02,;10.01,-.75,;8.68,.02,;7.22,-.45,;6.31,.79,;7.22,2.04,;8.68,1.56,;4.77,.79,;4,2.13,;4,-.54,;2.46,-.54,;1.79,-1.93,;.29,-2.27,;-.91,-1.31,;-.91,.23,;.29,1.19,;1.79,.85,;-.57,-.4,;-2.11,-.4,;-2.11,1.14,;-2.11,-1.94,;-3.65,-.4,;-4.42,-1.73,;-5.96,-1.73,;-6.73,-.4,;-5.96,.94,;-4.42,.94,;-8.27,-.4,;-9.04,.94,;-10.58,.94,;-11.35,2.27,)|
CCc1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@H]1CC[C@H](N)CC1 |r,wU:15.18,12.19,21.23,wD:10.10,24.27,TLB:18:17:14.13:11.10.16,(9.81,.1,;8.47,-.67,;7.14,.1,;5.68,-.38,;4.77,.87,;5.68,2.11,;7.14,1.64,;3.23,.87,;2.46,2.2,;2.46,-.47,;.92,-.47,;.25,-1.86,;-1.25,-2.2,;-2.45,-1.24,;-2.45,.3,;-1.25,1.26,;.25,.92,;-2.11,-.32,;-3.65,-.32,;-3.65,1.22,;-3.65,-1.86,;-5.19,-.32,;-5.96,-1.66,;-7.5,-1.66,;-8.27,-.32,;-9.81,-.32,;-7.5,1.01,;-5.96,1.01,)|
CCc1cc(no1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)N |r,TLB:18:17:14.13:11.10.16|
CCc1cc(no1)C(=O)N[C@H]1CCN([C@@H](C)C1)S(=O)(=O)N1CCC(N)CC1 |r|
CCc1cc(no1)C(=O)N[C@H]1CCN([C@@H](C)C1)S(=O)(=O)c1ccc(cc1)C(C)(C)N |r|
CCc1cc(ns1)C(=O)N[C@@H]1CCN([C@@H](C)C1)S(=O)(=O)N1CCC(N)CC1 |r|
CCc1cc(ns1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(N)CC1 |r,TLB:18:17:14.13:11.10.16|
CCc1cc(ns1)C(=O)N[C@H]1CCN([C@@H](C)C1)S(=O)(=O)N1CCC(N)CC1 |r|
CCc1cc(ns1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(6.34,2.59,;5.57,1.26,;4.03,1.26,;3.13,.01,;1.66,.49,;1.66,2.03,;3.13,2.5,;.33,-.28,;.33,-1.82,;-1.01,.49,;-2.34,-.28,;-2.34,-1.82,;-3.67,-2.59,;-5.01,-1.82,;-6.34,-2.59,;-5.01,-.28,;-3.67,.49,)|
CCc1cc(on1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(6.34,2.59,;5.57,1.26,;4.03,1.26,;3.13,.01,;1.66,.49,;1.66,2.03,;3.13,2.5,;.33,-.28,;.33,-1.82,;-1.01,.49,;-2.34,-.28,;-2.34,-1.82,;-3.67,-2.59,;-5.01,-1.82,;-6.34,-2.59,;-5.01,-.28,;-3.67,.49,)|
CCc1ccc(cc1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:11.11,wD:14.15,(-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;-2.67,-2.69,;,.38,;,1.93,;1.33,-.38,;2.67,.38,;2.67,1.93,;4,2.69,;5.33,1.93,;6.67,2.69,;5.33,.38,;4,-.38,)|
CCc1ccc(s1)C(=O)NC(C1CCNCC1)c1ccccc1
CCc1ccc(s1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(6.34,2.59,;5.57,1.26,;4.03,1.26,;3.13,2.5,;1.66,2.03,;1.66,.49,;3.13,.01,;.33,-.28,;.33,-1.82,;-1.01,.49,;-2.34,-.28,;-2.34,-1.82,;-3.67,-2.59,;-5.01,-1.82,;-6.34,-2.59,;-5.01,-.28,;-3.67,.49,)|
CCc1ccc(s1)C(=O)Nc1ccc(CN)cc1
CCc1cccc(c1)C(=O)N[C@@H]1CCN([C@H](C)C1)S(=O)(=O)CCCN |r|
CCc1cccc(c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1 |r,TLB:19:18:15.14:12.11.17|
CCc1cccc(c1)C(=O)N[C@H]1CCN([C@H](C)C1)S(=O)(=O)CCCN |r|
CCc1cccc(c1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:11.11,wD:14.15,(-6.67,-.38,;-5.33,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;-2.67,.38,;,.38,;,1.93,;1.33,-.38,;2.67,.38,;2.67,1.93,;4,2.69,;5.33,1.93,;6.67,2.69,;5.33,.38,;4,-.38,)|
CCc1ccnc(c1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:11.11,wD:14.15,(-6.67,-.38,;-5.33,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;-2.67,.38,;,.38,;,1.93,;1.33,-.38,;2.67,.38,;2.67,1.93,;4,2.69,;5.33,1.93,;6.67,2.69,;5.33,.38,;4,-.38,)|
CCc1cnc(s1)C(=O)NC(C)C1CCN(CC1)C(=O)[C@H](C)N |r|
CCc1cnc(s1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:10.10,wD:13.17,(9.01,2.59,;8.24,1.26,;6.7,1.26,;5.79,2.5,;4.33,2.03,;4.33,.49,;5.79,.01,;2.99,-.28,;2.99,-1.82,;1.66,.49,;.33,-.28,;.33,-1.82,;-1.01,-2.59,;-2.34,-1.82,;-2.34,-.28,;-1.01,.49,;-3.67,-2.59,;-5.01,-1.82,;-5.01,-.28,;-6.34,-2.59,;-7.67,-1.82,;-9.01,-2.59,)|
CCc1cnc(s1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(6.34,2.59,;5.57,1.26,;4.03,1.26,;3.13,2.5,;1.66,2.03,;1.66,.49,;3.13,.01,;.33,-.28,;.33,-1.82,;-1.01,.49,;-2.34,-.28,;-2.34,-1.82,;-3.67,-2.59,;-5.01,-1.82,;-6.34,-2.59,;-5.01,-.28,;-3.67,.49,)|
CCc1cncc(c1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:11.11,wD:14.15,(-6.67,-.38,;-5.33,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;-2.67,.38,;,.38,;,1.93,;1.33,-.38,;2.67,.38,;2.67,1.93,;4,2.69,;5.33,1.93,;6.67,2.69,;5.33,.38,;4,-.38,)|
CCc1cnnc(c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(N)CC1 |r,TLB:19:18:15.14:12.11.17|
CCc1cnnc(c1)C(=O)N[C@H]1CCN([C@@H](C)C1)S(=O)(=O)N1CCC(N)CC1 |r|
CCc1nc(co1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(6.34,2.59,;5.57,1.26,;4.03,1.26,;3.13,.01,;1.66,.49,;1.66,2.03,;3.13,2.5,;.33,-.28,;.33,-1.82,;-1.01,.49,;-2.34,-.28,;-2.34,-1.82,;-3.67,-2.59,;-5.01,-1.82,;-6.34,-2.59,;-5.01,-.28,;-3.67,.49,)|
CCc1nc(n[nH]1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(6.34,2.59,;5.57,1.26,;4.03,1.26,;3.13,.01,;1.66,.49,;1.66,2.03,;3.13,2.5,;.33,-.28,;.33,-1.82,;-1.01,.49,;-2.34,-.28,;-2.34,-1.82,;-3.67,-2.59,;-5.01,-1.82,;-6.34,-2.59,;-5.01,-.28,;-3.67,.49,)|
CCc1ncc(s1)C(=O)NC(C1CCNCC1)c1ccccc1
CCc1ncc(s1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(6.34,2.59,;5.57,1.26,;4.03,1.26,;3.13,2.5,;1.66,2.03,;1.66,.49,;3.13,.01,;.33,-.28,;.33,-1.82,;-1.01,.49,;-2.34,-.28,;-2.34,-1.82,;-3.67,-2.59,;-5.01,-1.82,;-6.34,-2.59,;-5.01,-.28,;-3.67,.49,)|
CCc1ncc(s1)C(=O)Nc1ccc(CN)cc1
CCc1nnc([nH]1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:10.10,wD:13.17,(9.01,2.59,;8.24,1.26,;6.7,1.26,;5.79,2.5,;4.33,2.03,;4.33,.49,;5.79,.01,;2.99,-.28,;2.99,-1.82,;1.66,.49,;.33,-.28,;.33,-1.82,;-1.01,-2.59,;-2.34,-1.82,;-2.34,-.28,;-1.01,.49,;-3.67,-2.59,;-5.01,-1.82,;-5.01,-.28,;-6.34,-2.59,;-7.67,-1.82,;-9.01,-2.59,)|
CCn1ccc(n1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(6.34,2.59,;5.57,1.26,;4.03,1.26,;3.13,2.5,;1.66,2.03,;1.66,.49,;3.13,.01,;.33,-.28,;.33,-1.82,;-1.01,.49,;-2.34,-.28,;-2.34,-1.82,;-3.67,-2.59,;-5.01,-1.82,;-6.34,-2.59,;-5.01,-.28,;-3.67,.49,)|
CCn1cnc(c1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(6.34,2.59,;5.57,1.26,;4.03,1.26,;3.13,2.5,;1.66,2.03,;1.66,.49,;3.13,.01,;.33,-.28,;.33,-1.82,;-1.01,.49,;-2.34,-.28,;-2.34,-1.82,;-3.67,-2.59,;-5.01,-1.82,;-6.34,-2.59,;-5.01,-.28,;-3.67,.49,)|
CCn1nc(C)cc1C(=O)NC(C1CCNCC1)c1ccccc1
CCn1nc(C)cc1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:11.11,wD:14.15,(-.62,1.93,;.71,2.69,;2.05,1.93,;3.51,2.4,;4.42,1.15,;5.96,1.15,;3.51,-.09,;2.05,.38,;.71,-.38,;.71,-1.93,;-.62,.38,;-1.95,-.38,;-1.95,-1.93,;-3.29,-2.69,;-4.62,-1.93,;-5.96,-2.69,;-4.62,-.38,;-3.29,.38,)|
CCn1nc(C)cc1C(=O)Nc1ccc(CN)cc1
CN(C)C(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:12:15:18.17:22.21.20|
CN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17|
CN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r,TLB:9:12:15.14:19.18.17|
CN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1 |r,TLB:9:12:15.14:19.18.17|
CN(C)C1CCN(CCS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)C1 |r,TLB:9:12:19.18.17:15.14|
CN(C)CCCN(CC[C@H](N)C(O)=O)C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
CN(C)CCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:6:9:12.11:15.14.16|
CN(C)CCN(C)CCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:10:13:15.16:19.20.18|
CN(C)CCN(C)CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:18.17.19|
CN(C)CCNCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:14.15:18.19.17|
CN(C)CCNCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:17.16.18|
CN(C)CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:5:8:15.14.13:11.10|
CN(C)Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
CN(C)Cc1ccc(o1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:12.12,wD:15.16,(7.11,1.92,;5.57,1.92,;4.8,3.26,;4.8,.59,;3.26,.59,;2.36,1.84,;.89,1.36,;.89,-.18,;2.36,-.65,;-.44,-.95,;-.44,-2.49,;-1.78,-.18,;-3.11,-.95,;-3.11,-2.49,;-4.44,-3.26,;-5.78,-2.49,;-7.11,-3.26,;-5.78,-.95,;-4.44,-.18,)|
CN(C)[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:3.2,16.17,13.13,wD:6.9,18.22,TLB:9:12:15.14:19.18.17,(-10.3,-1.77,;-9.53,-.43,;-10.3,.9,;-7.99,-.43,;-7.22,.9,;-5.68,.9,;-4.91,-.43,;-5.68,-1.77,;-7.22,-1.77,;-3.37,-.43,;-3.37,1.11,;-3.37,-1.97,;-1.83,-.43,;-.97,-2.2,;-2.17,-1.24,;-2.17,.3,;-.97,1.26,;.53,.92,;1.2,-.47,;.53,-1.86,;2.74,-.47,;3.51,.87,;2.74,2.2,;5.05,.87,;5.96,-.38,;7.42,.1,;7.42,1.64,;5.96,2.11,;8.76,-.67,;9.53,-2.01,;10.3,-.67,)|
CN(C)[C@H]1CC[C@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:6.9,16.17,13.13,3.2,wD:18.22,TLB:9:12:15.14:19.18.17,(-10.35,-1.77,;-9.58,-.43,;-10.35,.9,;-8.04,-.43,;-7.27,.9,;-5.73,.9,;-4.96,-.43,;-5.73,-1.77,;-7.27,-1.77,;-3.42,-.43,;-3.42,1.11,;-3.42,-1.97,;-1.77,-.43,;-.91,-2.2,;-2.12,-1.24,;-2.12,.3,;-.91,1.26,;.59,.92,;1.26,-.47,;.59,-1.86,;2.8,-.47,;3.57,.87,;2.8,2.2,;5.11,.87,;6.01,-.38,;7.48,.1,;7.48,1.64,;6.01,2.11,;8.81,-.67,;9.58,-2.01,;10.35,-.67,)|
CN(C)[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:3.2,wD:6.6,(46.15,-47.63,;44.83,-46.85,;44.84,-45.32,;43.49,-47.6,;43.47,-49.15,;42.14,-49.91,;40.81,-49.12,;39.47,-49.89,;38.13,-49.11,;37.36,-47.77,;38.91,-47.76,;36.8,-49.88,;35.47,-49.1,;34.15,-49.88,;34.15,-51.42,;35.47,-52.18,;36.8,-51.42,;32.81,-52.19,;31.48,-51.42,;31.47,-49.88,;30.14,-52.19,;29.99,-53.73,;28.49,-54.05,;27.71,-52.72,;28.74,-51.57,;27.87,-55.45,;26.62,-56.36,;28.03,-56.99,;40.81,-47.59,;42.15,-46.83,)|
CN(C1CCC(CC1)NC(=O)c1ccc2NC(=O)Cc2c1)C(=O)CCN |(-4.62,-3.47,;-4.62,-1.93,;-3.29,-1.15,;-1.95,-1.93,;-.62,-1.15,;-.62,.38,;-1.95,1.15,;-3.29,.38,;.71,1.15,;2.05,.38,;2.05,-1.15,;3.38,1.15,;3.38,2.69,;4.71,3.47,;6.05,2.69,;7.51,3.17,;8.42,1.93,;9.96,1.93,;7.51,.68,;6.05,1.15,;4.71,.38,;-5.96,-1.15,;-5.96,.38,;-7.29,-1.93,;-8.62,-1.15,;-9.96,-1.93,)|
CN(C1CCC(CC1)NC(=O)c1ccc2NC(=O)Cc2c1)C(=O)CN |(-5.29,-3.47,;-5.29,-1.93,;-3.96,-1.15,;-2.62,-1.93,;-1.29,-1.15,;-1.29,.38,;-2.62,1.15,;-3.96,.38,;.05,1.15,;1.38,.38,;1.38,-1.15,;2.71,1.15,;2.71,2.69,;4.05,3.47,;5.38,2.69,;6.84,3.17,;7.75,1.93,;9.29,1.93,;6.84,.68,;5.38,1.15,;4.05,.38,;-6.62,-1.15,;-6.62,.38,;-7.96,-1.93,;-9.29,-1.15,)|
CN(C1CCCNC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
CN(C1CCN(C)CC1)S(=O)(=O)N1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cc(on1)C1CC1 |r|
CN(C1CCN(C)CC1)S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:19.20.18:16.14.15|
CN(C1CCN(C)CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:19.18.17:15.14|
CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:15:18:25.24.23:21.20|
CN(C1CCNCC1)S(=O)(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
CN(C1CCNCC1)S(=O)(=O)N1CC[C@H](C[C@@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
CN(C1CCNCC1)S(=O)(=O)N1CC[C@H](C[C@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
CN(C1CCNCC1)S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:18.19.17:15.13.14|
CN(C1CCNCC1)S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:18.19.17:15.13.14|
CN(C1CCNCC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:18.17.16:14.13|
CN(CCC(F)(F)F)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:14:17:20.19:24.23.22|
CN(CCCC(F)(F)F)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:15:18:25.24.23:21.20|
CN(CCCC(F)(F)F)[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:9.8,wD:12.12,(24.46,-29.4,;24.45,-30.93,;25.77,-31.71,;27.1,-30.96,;28.42,-31.74,;29.76,-30.98,;31.08,-31.76,;29.77,-29.45,;31.08,-30.21,;23.11,-31.69,;23.09,-33.23,;21.76,-33.99,;20.43,-33.2,;19.09,-33.97,;17.75,-33.19,;16.98,-31.85,;18.53,-31.85,;16.42,-33.96,;15.09,-33.18,;13.77,-33.96,;13.77,-35.5,;15.09,-36.26,;16.42,-35.5,;12.43,-36.27,;11.09,-35.51,;11.09,-33.97,;9.76,-36.28,;9.61,-37.81,;8.1,-38.13,;7.33,-36.8,;8.36,-35.66,;7.48,-39.54,;6.24,-40.45,;7.65,-41.07,;20.43,-31.67,;21.78,-30.91,)|
CN(CCCN)c1ccc(cn1)S(=O)(=O)C12CC3CC(CC(C1)N23)NC(=O)c1cc(on1)C1CC1
CN(CCCN1CCCC1)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:16:19:22.21:26.25.24|
CN(CCCN1CCOCC1)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:17:20:23.22:27.26.25|
CN(CCCO)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:12:15:18.17:22.21.20|
CN(CCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1)CCN1CCOCC1 |r,TLB:5:8:11.10:14.13.15|
CN(CCN)CCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:13.14:17.18.16|
CN(CCN)CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:13.12:16.15.17|
CN(CCN1CCCC1)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:15:18:21.20:25.24.23|
CN(CCN1CCOCC1)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:16:19:22.21:26.25.24|
CN(CCN1CCOCC1)CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:12:15:18.17:21.20.22|
CN(CCO)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:11:14:17.16:21.20.19|
CN(CCO)C1CCN(CCS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)C1 |r,TLB:11:14:17.16:21.20.19|
CN(CCc1ccccc1)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:16:19:22.21:26.25.24|
CN(CCc1ccccc1)CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:12:15:18.17:21.20.22|
CN(Cc1ccccc1)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:15:18:21.20:25.24.23|
CN([C@@H]1CC[C@@H](CC1)NC(=O)CCN)C(=O)c1cc(on1)C1CC1 |r,wD:5.8,2.1,(1.27,2.31,;1.27,.77,;-.07,,;-.07,-1.54,;-1.4,-2.31,;-2.73,-1.54,;-2.73,,;-1.4,.77,;-4.07,-2.31,;-5.4,-1.54,;-5.4,,;-6.73,-2.31,;-8.07,-1.54,;-9.4,-2.31,;2.6,,;2.6,-1.54,;3.93,.77,;5.18,-.14,;6.43,.77,;5.95,2.23,;4.41,2.23,;7.91,.37,;9,-.72,;9.4,.77,)|
CN([C@H]1CC[C@@H](CC1)NC(=O)CCN)C(=O)c1cc(on1)C1CC1 |r,wU:2.1,wD:5.8,(1.27,2.31,;1.27,.77,;-.07,,;-.07,-1.54,;-1.4,-2.31,;-2.73,-1.54,;-2.73,,;-1.4,.77,;-4.07,-2.31,;-5.4,-1.54,;-5.4,,;-6.73,-2.31,;-8.07,-1.54,;-9.4,-2.31,;2.6,,;2.6,-1.54,;3.93,.77,;5.18,-.14,;6.43,.77,;5.95,2.23,;4.41,2.23,;7.91,.37,;9,-.72,;9.4,.77,)|
CN([C@H]1CC[C@H](N)CC1)C(=O)c1ncn[nH]1 |r,wU:2.1,wD:5.5,(.15,2.07,;.15,.53,;-1.18,-.24,;-1.18,-1.78,;-2.52,-2.55,;-3.85,-1.78,;-5.19,-2.55,;-3.85,-.24,;-2.52,.53,;1.48,-.24,;1.48,-1.78,;2.82,.53,;2.82,2.07,;4.28,2.55,;5.19,1.3,;4.28,.06,)|
CN1C(=O)Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CC3CCNCC3)c(Cl)cc12 |r,TLB:19:18:12.11.17:15.14|
CN1C(=O)Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CCC(N)CC3)c(Cl)cc12 |r,TLB:19:18:12.11.17:15.14|
CN1C(=O)Cc2cc(ccc12)C(=O)NC1CCN(CC1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 |r|
CN1C(=O)Cc2cc(ccc12)C(=O)NC1CCN(CC1)C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CN1C(=O)Cc2cc(ccc12)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1 |r,TLB:22:21:15.14.20:18.17|
CN1C(=O)Cc2cc(ccc12)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:14.15,wD:17.19,(5.61,3.21,;4.84,1.88,;5.75,.64,;7.29,.64,;4.84,-.61,;3.38,-.13,;2.05,-.9,;.71,-.13,;.71,1.41,;2.05,2.18,;3.38,1.41,;-.62,-.9,;-.62,-2.44,;-1.95,-.13,;-3.29,-.9,;-3.29,-2.44,;-4.62,-3.21,;-5.96,-2.44,;-7.29,-3.21,;-5.96,-.9,;-4.62,-.13,)|
CN1C(=O)Cc2ccc(cc12)C(=O)NC1CCN(CC1)C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
CN1C2CC1CN(C2)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:13.14:17.18.16|
CN1C2CCC1CN(C2)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:19.18.17:15.14,0:1:6.7.8:3.4|
CN1CC2CC(C1)N2S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:18.17.16:14.13|
CN1CC2CC1CN2S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:18.17.16:14.13|
CN1CC2CCC(C1)N2S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17,9:8:4.5:7.1.2|
CN1CC2CCC1CN2S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:19.18.17:15.14|
CN1CCC(CC(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1
CN1CCC(CC1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
CN1CCC(CC1)NS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
CN1CCC(CC1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
CN1CCC(CC1)[C@@H](Cc1ccccc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:15:18:21.20:25.24.23|
CN1CCC(CS(=O)(=O)N2CC[C@@H](C[C@@H]2Cc2ccccc2)NC(=O)c2cc(on2)C2CC2)CC1 |r|
CN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:6:9:12.11:16.15.14|
CN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2ccc3NC(=O)Cc3c2)CC1 |r,TLB:6:9:12.11:16.15.14|
CN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2ccc3OC(F)(F)Oc3c2)CC1 |r,TLB:6:9:12.11:16.15.14|
CN1CCC2(CN(C2)S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:8:11:14.13:18.17.16|
CN1CCCC1CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:13.12:17.16.15|
CN1CCCC[C@@H]1CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
CN1CCCC[C@H]1CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
CN1CCC[C@@H](C1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:13.12:17.16.15|
CN1CCC[C@@H]1CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:13.12:17.16.15|
CN1CCC[C@H](C1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:13.12:17.16.15|
CN1CCC[C@H]1CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:13.12:17.16.15|
CN1CCN(CC1(C)C)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:19.18.17:15.14|
CN1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:17.16.15:13.12|
CN1CCN(CC1CO)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:19.18.17:15.14|
CN1CCN(CCC(=O)N[C@H]2CC[C@@H](CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:10.9,wD:13.16,(-11.4,-3.43,;-10.07,-2.66,;-10.07,-1.12,;-8.73,-.35,;-7.4,-1.12,;-6.07,-.35,;-4.73,-1.12,;-3.4,-.35,;-3.4,1.19,;-2.07,-1.12,;-.73,-.35,;-.73,1.19,;.6,1.96,;1.93,1.19,;1.93,-.35,;.6,-1.12,;3.27,1.96,;4.6,1.19,;4.6,-.35,;5.94,1.96,;7.18,1.06,;8.43,1.96,;7.95,3.43,;6.41,3.43,;9.91,1.56,;11,.48,;11.4,1.96,;-7.4,-2.66,;-8.73,-3.43,)|
CNC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:11:14:17.16:21.20.19|
CNC1CCC(CS(=O)(=O)N2CC[C@@H](C[C@@H]2C)NC(=O)c2cc(on2)C2CC2)C1 |r|
CNC1CCN(CC1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
CNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r,TLB:8:11:14.13:18.17.16|
CNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1 |r,TLB:8:11:14.13:18.17.16|
CNCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,(10.07,-1.5,;8.73,-2.27,;7.4,-1.5,;6.07,-2.27,;4.73,-1.5,;4.73,.04,;3.4,-2.27,;2.07,-1.5,;.73,-2.27,;-.6,-1.5,;-.6,.04,;.73,.81,;2.07,.04,;-1.93,.81,;-3.27,.04,;-3.27,-1.5,;-4.6,.81,;-5.85,-.1,;-7.09,.81,;-6.62,2.27,;-5.08,2.27,;-8.58,.41,;-10.07,.81,;-9.67,-.68,)|
CNCCCCS(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CNCCCS(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CNCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:5:8:10.11:14.15.13|
CNCCN(C)CCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:18.17.19|
CNCCN(C)CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:13.14:17.18.16|
CNCCNCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:17.16.18|
CNCCNCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:12.13:16.17.15|
CNCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:4:7:14.13.12:10.9|
CNC\C=C\S(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
CNCc1ccc(cc1)C(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CNS(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CNS(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CNS(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CNS(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CN[C@@H](Cc1cn(C)c2ccccc12)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
CN[C@H]1CC[C@@H](CC1)C(=O)N1CCC(C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r,wU:15.17,2.1,wD:5.8,(10.01,-.53,;8.67,-1.3,;7.34,-.53,;6.01,-1.3,;4.67,-.53,;4.67,1.01,;6.01,1.78,;7.34,1.01,;3.34,1.78,;3.34,3.32,;2.01,1.01,;.67,1.78,;-.66,1.01,;-.66,-.53,;.67,-1.3,;2.01,-.53,;3.34,-1.3,;-2,-1.3,;-3.33,-.53,;-3.33,1.01,;-4.66,-1.3,;-6.13,-.83,;-7.03,-2.07,;-6.13,-3.32,;-4.66,-2.84,;-8.52,-1.67,;-9.61,-.58,;-10.01,-2.07,)|
CN[C@H]1CC[C@@H](CC1)C(=O)N1CCC(C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r,wU:2.1,wD:5.8,15.17,(10.01,-.53,;8.67,-1.3,;7.34,-.53,;6.01,-1.3,;4.67,-.53,;4.67,1.01,;6.01,1.78,;7.34,1.01,;3.34,1.78,;3.34,3.32,;2.01,1.01,;.67,1.78,;-.66,1.01,;-.66,-.53,;.67,-1.3,;2.01,-.53,;3.34,-1.3,;-2,-1.3,;-3.33,-.53,;-3.33,1.01,;-4.66,-1.3,;-6.13,-.83,;-7.03,-2.07,;-6.13,-3.32,;-4.66,-2.84,;-8.52,-1.67,;-9.61,-.58,;-10.01,-2.07,)|
CN[C@H]1CC[C@@H](CC1)S(=O)(=O)N1CC[C@@H](NC(=O)c2cc(on2)C2CC2)[C@@H](C)C1 |r,wU:2.1,wD:5.8,26.29,14.15,(-9.96,3.32,;-8.62,4.09,;-7.29,3.32,;-5.96,4.09,;-4.62,3.32,;-4.62,1.78,;-5.96,1.01,;-7.29,1.78,;-3.29,1.01,;-2.52,2.34,;-4.06,-.33,;-1.95,.24,;-1.95,-1.3,;-.62,-2.07,;.71,-1.3,;2.05,-2.07,;3.38,-1.3,;3.38,.24,;4.71,-2.07,;6.18,-1.6,;7.08,-2.84,;6.18,-4.09,;4.71,-3.61,;8.62,-2.84,;9.96,-3.61,;9.96,-2.07,;.71,.24,;2.05,1.01,;-.62,1.01,)|
CN[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:15.16,12.12,2.1,wD:17.21,5.8,TLB:8:11:14.13:18.17.16,(-10.3,-1.66,;-9.53,-.32,;-7.99,-.32,;-7.22,1.01,;-5.68,1.01,;-4.91,-.32,;-5.68,-1.66,;-7.22,-1.66,;-3.37,-.32,;-3.37,1.22,;-3.37,-1.86,;-1.83,-.32,;-.97,-2.2,;-2.17,-1.24,;-2.17,.3,;-.97,1.26,;.53,.92,;1.2,-.47,;.53,-1.86,;2.74,-.47,;3.51,.87,;2.74,2.2,;5.05,.87,;5.96,-.38,;7.42,.1,;7.42,1.64,;5.96,2.11,;8.76,-.67,;9.53,-2.01,;10.3,-.67,)|
CN[C@H]1CC[C@H](CC1)S(=O)(=O)N1CC[C@@H](NC(=O)c2cc(on2)C2CC2)[C@@H](C)C1 |r,wU:2.1,5.8,wD:26.29,14.15,(-9.96,3.32,;-8.62,4.09,;-7.29,3.32,;-5.96,4.09,;-4.62,3.32,;-4.62,1.78,;-5.96,1.01,;-7.29,1.78,;-3.29,1.01,;-2.52,2.34,;-4.06,-.33,;-1.95,.24,;-1.95,-1.3,;-.62,-2.07,;.71,-1.3,;2.05,-2.07,;3.38,-1.3,;3.38,.24,;4.71,-2.07,;6.18,-1.6,;7.08,-2.84,;6.18,-4.09,;4.71,-3.61,;8.62,-2.84,;9.96,-3.61,;9.96,-2.07,;.71,.24,;2.05,1.01,;-.62,1.01,)|
CN[C@H]1CC[C@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:2.1,5.8,15.16,12.12,wD:17.21,TLB:8:11:14.13:18.17.16,(-10.31,-1.78,;-9.54,-.45,;-8,-.45,;-7.23,.88,;-5.69,.88,;-4.92,-.45,;-5.69,-1.78,;-7.23,-1.78,;-3.38,-.45,;-3.38,1.09,;-3.38,-1.99,;-1.84,-.45,;-.96,-2.2,;-2.16,-1.24,;-2.16,.3,;-.96,1.26,;.54,.92,;1.21,-.47,;.54,-1.86,;2.75,-.47,;3.52,.87,;2.75,2.2,;5.06,.87,;5.97,-.38,;7.43,.1,;7.43,1.64,;5.97,2.11,;8.77,-.67,;9.54,-2.01,;10.31,-.67,)|
CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:2.1,wD:5.5,(20.3,-31.05,;18.98,-30.27,;17.64,-31.03,;17.62,-32.57,;16.29,-33.33,;14.96,-32.54,;13.62,-33.31,;12.28,-32.53,;11.51,-31.19,;13.06,-31.19,;10.95,-33.31,;9.62,-32.52,;8.3,-33.31,;8.3,-34.85,;9.62,-35.6,;10.95,-34.85,;6.96,-35.61,;5.63,-34.85,;5.63,-33.31,;4.29,-35.62,;4.14,-37.15,;2.64,-37.47,;1.86,-36.14,;2.89,-35,;2.02,-38.88,;.77,-39.79,;2.18,-40.41,;14.96,-31.01,;16.31,-30.25,)|
CNc1ccc(cn1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CNc1ccc(cn1)S(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CNc1ccc(cn1)S(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CNc1ccc(cn1)S(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
CNc1ncccc1S(=O)(=O)C12CC3CC(CC(C1)N23)NC(=O)c1cc(on1)C1CC1
CNc1ncccc1S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COC(=O)C1CN(CC(C)C1NC(=O)c1cc(on1)C1CC1)C(=O)CCCN
COC(=O)C1CN(CC(C)C1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:24.26,wD:27.30,(3.33,4.86,;2,4.09,;2,2.55,;3.33,1.78,;.66,1.78,;-.67,2.55,;-2.01,1.78,;-2.01,.24,;-.67,-.53,;-.67,-2.07,;.66,.24,;2,-.53,;2,-2.07,;.66,-2.84,;3.33,-2.84,;4.79,-2.37,;5.7,-3.61,;4.79,-4.86,;3.33,-4.38,;7.19,-3.21,;8.67,-3.61,;8.28,-2.12,;-3.34,2.55,;-3.34,4.09,;-4.67,1.78,;-4.67,.24,;-6.01,-.53,;-7.34,.24,;-8.67,-.53,;-7.34,1.78,;-6.01,2.55,)|
COC(=O)CCS(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COC(=O)CCS(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COC(=O)CCS(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COC(=O)CCS(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1
COCC(C)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCC1CCCN1CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:10:13:20.19.18:16.15|
COCCCN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:13:16:21.22.23:18.19|
COCCCN1C2CCC1CN(C2)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:4:5:7.8:10.11.12,13:16:19.18:23.22.21|
COCCCN1CCC(CS(=O)(=O)N2CC[C@@H](C[C@@H]2Cc2ccccc2)NC(=O)c2cc(on2)C2CC2)CC1 |r|
COCCCN1CCC(CS(=O)(=O)N2CC[C@@H](NC(=O)c3cc(on3)C3CC3)[C@@H](C)C2)CC1 |r|
COCCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:10:13:20.19.18:16.15|
COCCCNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:12:15:20.21.22:17.18|
COCCCS(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCCS(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCCS(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCCS(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCN(C)C1CCN(CC1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:12:15:18.17:22.21.20|
COCCN(C)CCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:18.17.19|
COCCN(C)c1ccc(cn1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCN(C)c1ccc(cn1)S(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCN(C)c1ccc(cn1)S(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCN([C@H]1CC[C@@H](CC1)NC(=O)CCN)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,(6.73,-3.08,;5.4,-3.85,;4.07,-3.08,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
COCCN([C@H]1CC[C@@H](CC1)NC(=O)C[C@@H](C)N)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,15.17,(6.73,-3.08,;5.4,-3.85,;4.07,-3.08,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;5.4,5.39,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
COCCN([C@H]1CC[C@@H](CC1)NC(=O)C[C@H](C)N)C(=O)c1cc(on1)C1CC1 |r,wU:5.4,15.17,wD:8.11,(6.73,-3.08,;5.4,-3.85,;4.07,-3.08,;2.73,-3.85,;1.4,-3.08,;1.4,-1.54,;.07,-.77,;.07,.77,;1.4,1.54,;2.73,.77,;2.73,-.77,;1.4,3.08,;2.73,3.85,;2.73,5.39,;4.07,3.08,;5.4,3.85,;6.73,3.08,;5.4,5.39,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,)|
COCCN1C2CCC1CN(C2)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:3:4:6.7:9.10.11,12:15:18.17:22.21.20|
COCCN1CCC(CS(=O)(=O)N2CC[C@@H](C[C@@H]2C)NC(=O)c2cc(on2)C2CC2)CC1 |r|
COCCN1CCC(CS(=O)(=O)N2CC[C@@H](C[C@@H]2Cc2ccccc2)NC(=O)c2cc(on2)C2CC2)CC1 |r|
COCCN1CCC(CS(=O)(=O)N2CC[C@@H](NC(=O)c3cc(on3)C3CC3)[C@@H](C)C2)CC1 |r|
COCCN1CCC(CS(=O)(=O)N2CC[C@H](C[C@H]2C)NC(=O)c2cc(on2)C2CC2)CC1 |r|
COCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:9:12:19.18.17:15.14|
COCCNC1CCN(CC1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:11:14:17.16:21.20.19|
COCCNCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:17.16.18|
COCCNCc1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:12:15:18.17:21.20.22|
COCCNS(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCN[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:5.4,18.19,15.15,wD:8.11,20.24,TLB:11:14:17.16:21.20.19,(-12.23,2.22,;-10.69,2.22,;-9.92,.88,;-8.38,.88,;-7.61,-.45,;-6.07,-.45,;-5.3,.88,;-3.76,.88,;-2.99,-.45,;-3.76,-1.78,;-5.3,-1.78,;-1.45,-.45,;-1.45,1.09,;-1.45,-1.99,;.09,-.45,;.97,-2.22,;-.24,-1.26,;-.24,.28,;.97,1.24,;2.47,.9,;3.14,-.49,;2.47,-1.87,;4.68,-.49,;5.45,.85,;4.68,2.18,;6.99,.85,;7.89,-.4,;9.36,.08,;9.36,1.62,;7.89,2.09,;10.69,-.69,;11.46,-2.03,;12.23,-.69,)|
COCCN[C@H]1CC[C@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:5.4,8.11,18.19,15.15,wD:20.24,TLB:11:14:17.16:21.20.19,(-12.23,2.22,;-10.69,2.22,;-9.92,.88,;-8.38,.88,;-7.61,-.45,;-6.07,-.45,;-5.3,.88,;-3.76,.88,;-2.99,-.45,;-3.76,-1.78,;-5.3,-1.78,;-1.45,-.45,;-1.45,1.09,;-1.45,-1.99,;.09,-.45,;.97,-2.22,;-.24,-1.26,;-.24,.28,;.97,1.24,;2.47,.9,;3.14,-.49,;2.47,-1.87,;4.68,-.49,;5.45,.85,;4.68,2.18,;6.99,.85,;7.89,-.4,;9.36,.08,;9.36,1.62,;7.89,2.09,;10.69,-.69,;11.46,-2.03,;12.23,-.69,)|
COCCNc1ccc(cn1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCNc1ccc(cn1)S(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCNc1ccc(cn1)S(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCS(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCS(=O)(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCS(=O)(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COCCS(=O)(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
COc1cc(C(=O)NC(C)C2CCN(CC2)C(=O)[C@H](C)N)c2ccccc2n1 |r|
COc1cc(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)CCN)c2ccccc2n1 |r,wU:8.7,wD:11.14,(2.67,-6.16,;1.33,-6.93,;,-6.16,;,-4.62,;-1.33,-3.85,;-1.33,-2.31,;-2.67,-1.54,;,-1.54,;;-1.33,.77,;-1.33,2.31,;,3.08,;1.33,2.31,;1.33,.77,;,4.62,;1.33,5.39,;1.33,6.93,;2.67,4.62,;4,5.39,;5.33,4.62,;-2.67,-4.62,;-4,-3.85,;-5.33,-4.62,;-5.33,-6.16,;-4,-6.93,;-2.67,-6.16,;-1.33,-6.93,)|
COc1cc(C(=O)N[C@H]2CC[C@H](N)CC2)c2ccccc2n1 |r,wU:8.7,wD:11.11,(4,-5,;2.67,-5.78,;1.33,-5,;1.33,-3.47,;,-2.69,;,-1.15,;-1.33,-.38,;1.33,-.38,;1.33,1.15,;,1.93,;,3.47,;1.33,4.23,;1.33,5.78,;2.67,3.47,;2.67,1.93,;-1.33,-3.47,;-2.67,-2.69,;-4,-3.47,;-4,-5,;-2.67,-5.78,;-1.33,-5,;,-5.78,)|
COc1cc(cc2NC(=O)COc12)C(=O)NC(C)C1CCN(CC1)C(=O)[C@H](C)N |r|
COc1cc(cc2NC(=O)COc12)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:16.17,wD:19.21,(.67,3.85,;2,3.08,;2,1.54,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;6,.77,;4.67,1.54,;3.33,.77,;-.67,-1.54,;-.67,-3.08,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-4.67,-3.85,;-6,-3.08,;-7.34,-3.85,;-6,-1.54,;-4.67,-.77,)|
COc1ccc2cc(ccc2c1)C(=O)NC(C)C1CCN(CC1)C(=O)[C@H](C)N |r|
COc1ccc2cc(ccc2c1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:15.16,wD:18.23,(-10.67,-1.93,;-9.34,-2.69,;-8,-1.93,;-8,-.38,;-6.67,.38,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-6.67,-2.69,;-1.33,.38,;-1.33,1.93,;,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;4,1.93,;4,.38,;2.67,-.38,;5.33,2.69,;6.67,1.93,;6.67,.38,;8,2.69,;9.34,1.93,;10.67,2.69,)|
COc1ccc2cc(ccc2c1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:15.16,wD:18.20,(-8,-1.93,;-6.67,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-1.33,.38,;,-.38,;,-1.93,;-1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;1.33,.38,;1.33,1.93,;2.67,-.38,;4,.38,;4,1.93,;5.33,2.69,;6.67,1.93,;8,2.69,;6.67,.38,;5.33,-.38,)|
COc1ccc2cc(ccc2c1)C(C)C(=O)NC(C)C1CCN(CC1)C(=O)[C@H](C)N |r|
COc1ccc2cc(ccc2c1)C(C)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:17.18,wD:20.25,(-11.34,-1.54,;-10,-2.31,;-8.67,-1.54,;-8.67,,;-7.34,.77,;-6,,;-4.67,.77,;-3.33,,;-3.33,-1.54,;-4.67,-2.31,;-6,-1.54,;-7.34,-2.31,;-2,.77,;-2,2.31,;-.67,,;-.67,-1.54,;.67,.77,;2,,;3.33,.77,;4.67,,;4.67,-1.54,;3.33,-2.31,;2,-1.54,;6,-2.31,;7.34,-1.54,;7.34,,;8.67,-2.31,;10,-1.54,;11.34,-2.31,)|
COc1ccc2cc(ccc2c1)C(C)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:17.18,wD:20.22,(-8.67,-1.54,;-7.34,-2.31,;-6,-1.54,;-6,,;-4.67,.77,;-3.33,,;-2,.77,;-.67,,;-.67,-1.54,;-2,-2.31,;-3.33,-1.54,;-4.67,-2.31,;.67,.77,;.67,2.31,;2,,;2,-1.54,;3.33,.77,;4.67,,;6,.77,;7.34,,;7.34,-1.54,;8.67,-2.31,;6,-2.31,;4.67,-1.54,)|
COc1cccc(n1)C(=O)NC(C)C1CCN(CC1)C(=O)[C@H](C)N |r|
COc1cccc(n1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:11.11,wD:14.18,(9.34,.38,;8,-.38,;6.67,.38,;6.67,1.93,;5.33,2.69,;4,1.93,;4,.38,;5.33,-.38,;2.67,-.38,;2.67,-1.93,;1.33,.38,;,-.38,;,-1.93,;-1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-1.33,.38,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-6.67,-2.69,;-8,-1.93,;-9.34,-2.69,)|
COc1cccc(n1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:11.11,wD:14.15,(-6.67,-.38,;-5.33,.39,;-4,-.38,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.38,;-2.67,.39,;,.39,;,1.93,;1.33,-.38,;2.67,.39,;2.67,1.93,;4,2.7,;5.33,1.93,;6.67,2.7,;5.33,.39,;4,-.38,)|
COc1cccc2[nH]cc(C(=O)NC(C)C3CCN(CC3)C(=O)[C@H](C)N)c12 |r|
COc1cccc2[nH]cc(C(=O)N[C@H]3CC[C@@H](CC3)NC(=O)CCN)c12 |r,wU:13.12,wD:16.19,(-6.38,.86,;-5.05,1.63,;-5.05,3.17,;-6.38,3.94,;-6.38,5.48,;-5.05,6.25,;-3.72,5.48,;-2.25,5.96,;-1.35,4.71,;-2.25,3.47,;-1.85,1.98,;-2.94,.89,;-.36,1.58,;.03,.09,;1.52,-.3,;1.92,-1.79,;.83,-2.88,;-.66,-2.48,;-1.06,-.99,;1.23,-4.37,;2.72,-4.77,;3.12,-6.25,;3.81,-3.68,;5.29,-4.08,;6.38,-2.99,;-3.72,3.94,)|
COc1cccc2[nH]cc(C(=O)N[C@H]3CC[C@H](N)CC3)c12 |r,wU:13.12,wD:16.16,(-4.15,-.08,;-2.82,.69,;-2.82,2.23,;-4.15,3,;-4.15,4.54,;-2.82,5.31,;-1.48,4.54,;-.02,5.02,;.89,3.77,;-.02,2.53,;.38,1.04,;-.71,-.05,;1.87,.64,;2.27,-.85,;3.75,-1.25,;4.15,-2.73,;3.06,-3.82,;3.46,-5.31,;1.57,-3.42,;1.18,-1.94,;-1.48,3,)|
COc1cnc(cn1)C(=O)NC(C)C1CCN(CC1)C(=O)[C@H](C)N |r|
COc1cnc(cn1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:11.11,wD:14.18,(9.34,1.93,;8,2.69,;6.67,1.93,;6.67,.38,;5.33,-.38,;4,.38,;4,1.93,;5.33,2.69,;2.67,-.38,;2.67,-1.93,;1.33,.38,;,-.38,;,-1.93,;-1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-1.33,.38,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-6.67,-2.69,;-8,-1.92,;-9.34,-2.69,)|
COc1cnc(cn1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:11.11,wD:14.15,(-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;-2.67,-2.69,;,.38,;,1.93,;1.33,-.38,;2.67,.38,;2.67,1.93,;4,2.69,;5.33,1.93,;6.67,2.69,;5.33,.38,;4,-.38,)|
COc1cncc(n1)C(=O)NC(C)C1CCN(CC1)C(=O)[C@H](C)N |r|
COc1cncc(n1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:11.11,wD:14.18,(9.34,.38,;8,-.38,;6.67,.38,;6.67,1.93,;5.33,2.69,;4,1.93,;4,.38,;5.33,-.38,;2.67,-.38,;2.67,-1.93,;1.33,.38,;,-.38,;,-1.93,;-1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-1.33,.38,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-6.67,-2.69,;-8,-1.93,;-9.34,-2.69,)|
COc1cncc(n1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:11.11,wD:14.15,(-6.67,-.38,;-5.33,.39,;-4,-.38,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.38,;-2.67,.39,;,.39,;,1.93,;1.33,-.38,;2.67,.39,;2.67,1.93,;4,2.7,;5.33,1.93,;6.67,2.7,;5.33,.39,;4,-.38,)|
CS(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
CS(=O)(=O)c1cccc(c1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:13.13,wD:16.20,(9.34,-1.15,;8,-.38,;8.77,.95,;7.23,-1.72,;6.67,.39,;6.67,1.93,;5.33,2.69,;4,1.93,;4,.39,;5.33,-.38,;2.67,-.38,;2.67,-1.92,;1.33,.39,;,-.38,;,-1.92,;-1.33,-2.69,;-2.67,-1.92,;-2.67,-.38,;-1.33,.39,;-4,-2.69,;-5.33,-1.92,;-5.33,-.38,;-6.67,-2.69,;-8,-1.92,;-9.34,-2.69,)|
CS(=O)(=O)c1cccc(c1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:13.13,wD:16.17,(-6.67,1.15,;-5.33,.38,;-4.56,1.72,;-6.1,-.95,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;-2.67,.38,;,.38,;,1.93,;1.33,-.38,;2.67,.38,;2.67,1.93,;4,2.69,;5.33,1.93,;6.67,2.69,;5.33,.38,;4,-.38,)|
C[C@@H](C1CCN(C)CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17|
C[C@@H](C1CCNCC1)C(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H](C1CCNCC1)C(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H](C1CCNCC1)C(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H](C1CCNCC1)C(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H](C1CCNCC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
C[C@@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2NC(=O)Cc2c1 |r|
C[C@@H](N)C(=O)N1CC[C@@H](CNC(=O)c2ccc3NC(=O)Cc3c2)C1 |r|
C[C@@H](N)C(=O)N1CC[C@H](CNC(=O)c2ccc3NC(=O)Cc3c2)C1 |r|
C[C@@H](N)C(=O)NCCCCNC(=O)c1ccc2NC(=O)Cc2c1 |r|
C[C@@H](N)C(=O)NC[C@@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NCc1cc(on1)C1CC1 |r|
C[C@@H](N)C(=O)NC[C@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NCc1cc(on1)C1CC1 |r|
C[C@@H](N)CC(=O)NC[C@@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NCc1cc(on1)C1CC1 |r|
C[C@@H](N)CC(=O)NC[C@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NCc1cc(on1)C1CC1 |r|
C[C@@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(C)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,1.1,wD:10.13,(-9.4,-2.31,;-8.07,-1.54,;-8.07,,;-6.73,-2.31,;-5.4,-1.54,;-5.4,,;-4.07,-2.31,;-2.73,-1.54,;-2.73,,;-1.4,.77,;-.07,,;-.07,-1.54,;-1.4,-2.31,;1.27,.77,;1.27,2.31,;2.6,,;2.6,-1.54,;3.93,.77,;5.18,-.14,;6.43,.77,;5.95,2.23,;4.41,2.23,;7.91,.37,;9,-.72,;9.4,.77,)|
C[C@@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(CCO)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,1.1,wD:10.13,(-8.73,-3.43,;-7.4,-2.66,;-7.4,-1.12,;-6.07,-3.43,;-4.73,-2.66,;-4.73,-1.12,;-3.4,-3.43,;-2.07,-2.66,;-2.07,-1.12,;-.73,-.35,;.6,-1.12,;.6,-2.66,;-.73,-3.43,;1.93,-.35,;3.27,-1.12,;3.27,-2.66,;4.6,-3.43,;1.93,1.19,;.6,1.96,;3.27,1.96,;4.51,1.06,;5.76,1.96,;5.28,3.43,;3.74,3.43,;7.25,1.56,;8.34,.48,;8.73,1.96,)|
C[C@@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(CCc1ccccc1)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,1.1,wD:10.13,(-8.73,-2.27,;-7.4,-1.5,;-7.4,.04,;-6.07,-2.27,;-4.73,-1.5,;-4.73,.04,;-3.4,-2.27,;-2.07,-1.5,;-2.07,.04,;-.73,.81,;.6,.04,;.6,-1.5,;-.73,-2.27,;1.93,.81,;3.27,.04,;3.27,-1.5,;4.6,-2.27,;4.6,-3.81,;5.94,-4.58,;7.27,-3.81,;7.27,-2.27,;5.94,-1.5,;1.93,2.35,;.6,3.12,;3.27,3.12,;4.51,2.21,;5.76,3.12,;5.28,4.58,;3.74,4.58,;7.25,2.72,;8.34,1.63,;8.73,3.12,)|
C[C@@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,1.1,wD:10.13,(-9.4,-3.85,;-8.07,-3.08,;-8.07,-1.54,;-6.73,-3.85,;-5.4,-3.08,;-5.4,-1.54,;-4.07,-3.85,;-2.73,-3.08,;-2.73,-1.54,;-1.4,-.77,;-.07,-1.54,;-.07,-3.08,;-1.4,-3.85,;1.27,-.77,;1.27,.77,;-.07,1.54,;-.07,3.08,;-1.4,3.85,;-2.73,3.08,;-2.73,1.54,;-1.4,.77,;2.6,-1.54,;2.6,-3.08,;3.93,-.77,;5.18,-1.68,;6.43,-.77,;5.95,.69,;4.41,.69,;7.91,-1.17,;9,-2.26,;9.4,-.77,)|
C[C@@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.6,1.1,wD:10.13,(-9.4,-2.27,;-8.07,-1.5,;-8.07,.04,;-6.73,-2.27,;-5.4,-1.5,;-5.4,.04,;-4.07,-2.27,;-2.73,-1.5,;-2.73,.04,;-1.4,.81,;-.07,.04,;-.07,-1.5,;-1.4,-2.27,;1.27,.81,;2.6,.04,;2.6,-1.5,;3.93,.81,;5.18,-.1,;6.43,.81,;5.95,2.27,;4.41,2.27,;7.91,.41,;9,-.68,;9.4,.81,)|
C[C@@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2NC(=O)Cc2c1 |r,wU:7.6,1.1,wD:10.13,(-9.96,-2.69,;-8.62,-1.93,;-8.62,-.38,;-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,-2.69,;-3.29,-1.93,;-3.29,-.38,;-1.95,.38,;-.62,-.38,;-.62,-1.93,;-1.95,-2.69,;.71,.38,;2.05,-.38,;2.05,-1.93,;3.38,.38,;3.38,1.93,;4.71,2.69,;6.05,1.93,;7.51,2.4,;8.42,1.15,;9.96,1.15,;7.51,-.09,;6.05,.38,;4.71,-.38,)|
C[C@@H](N)CC(=O)N[C@H]1CC[C@H](CC1)N(C)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,10.13,1.1,(-9.4,-2.31,;-8.07,-1.54,;-8.07,,;-6.73,-2.31,;-5.4,-1.54,;-5.4,,;-4.07,-2.31,;-2.73,-1.54,;-2.73,,;-1.4,.77,;-.07,,;-.07,-1.54,;-1.4,-2.31,;1.27,.77,;1.27,2.31,;2.6,,;2.6,-1.54,;3.93,.77,;5.18,-.14,;6.43,.77,;5.95,2.23,;4.41,2.23,;7.91,.37,;9,-.72,;9.4,.77,)|
C[C@@H](N)CC(=O)N[C@H]1CC[C@H](NC(=O)c2cc(on2)C2CC2)[C@H](Cc2ccccc2)C1 |r|
C[C@@H](N)c1ccc(cc1)C(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H](N)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17|
C[C@@H](NC1CCN(CC1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1)c1ccccc1 |r|
C[C@@H](NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1)c1ccc(F)cc1 |r,TLB:9:12:15.14:19.18.17|
C[C@@H](NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1)c1ccccc1 |r,TLB:9:12:15.14:19.18.17|
C[C@@H]1CC(CCN1C(=O)C(C)(C)C1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)C1(C)CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)C1(F)CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)C12C3C4C1C1C2C3C41N)NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,(-3.24,-1.32,;-2.15,-.23,;-.66,-.62,;.43,.46,;.03,1.95,;-1.46,2.35,;-2.55,1.26,;-4.03,1.66,;-4.43,3.15,;-5.12,.57,;-6.21,-.52,;-7.75,-.52,;-8.84,.57,;-8.84,-3.15,;-5.12,-3.15,;-6.21,-2.06,;-7.75,-2.06,;-9.96,-2.82,;1.92,.07,;3.01,1.15,;2.61,2.64,;4.49,.76,;5.74,1.66,;6.99,.76,;6.51,-.71,;4.97,-.71,;8.47,1.15,;9.96,.76,;9.56,2.24,)|
C[C@@H]1CC(CCN1C(=O)C1CC11CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)C1CC2(C1)CCNC2)NC(=O)c1cc(on1)C1CC1 |r,wD:1.0,(3.88,-1.3,;2.55,-.53,;1.21,-1.3,;-.12,-.53,;-.12,1.01,;1.21,1.78,;2.55,1.01,;3.88,1.78,;3.88,3.32,;5.21,1.01,;5.61,-.48,;7.1,-.08,;6.7,1.41,;8.56,.39,;9.47,-.85,;8.56,-2.1,;7.1,-1.62,;-1.46,-1.3,;-2.79,-.53,;-2.79,1.01,;-4.12,-1.3,;-5.59,-.83,;-6.49,-2.07,;-5.59,-3.32,;-4.12,-2.84,;-7.98,-1.67,;-9.07,-.58,;-9.47,-2.07,)|
C[C@@H]1CC(CCN1C(=O)C1CC2(CC(N)C2)C1)NC(=O)c1cc(on1)C1CC1 |r,wD:1.0,(3.45,-1.3,;2.12,-.53,;.79,-1.3,;-.55,-.53,;-.55,1.01,;.79,1.78,;2.12,1.01,;3.45,1.78,;3.45,3.32,;4.79,1.01,;5.19,-.48,;6.67,-.08,;7.07,-1.57,;8.56,-1.17,;9.89,-1.94,;8.16,.32,;6.27,1.41,;-1.88,-1.3,;-3.21,-.53,;-3.21,1.01,;-4.55,-1.3,;-6.01,-.83,;-6.92,-2.07,;-6.01,-3.32,;-4.55,-2.84,;-8.41,-1.67,;-9.49,-.58,;-9.89,-2.07,)|
C[C@@H]1CC(CCN1C(=O)C1CCCNC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)C1CNCC(O)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)CC(C)(C)CN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)CC1(C)CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)CC1(CN)CCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)CC1(O)CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)CC12CC3CCC(C1)N23)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)CC1CCCC(N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)CCC1CCNC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)CCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)CCN1CCCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)CN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)CN1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)C[C@H](O)CCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)N1CCC(N)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)[C@@H](CN)Cc1ccc(O)cc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)[C@@H]1CC[C@@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)[C@@H]1CC[C@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)[C@@H]1C[C@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r,wD:9.9,1.0,11.12,(4.4,-1.3,;3.06,-.53,;1.73,-1.3,;.4,-.53,;.4,1.01,;1.73,1.78,;3.06,1.01,;4.4,1.78,;4.4,3.32,;5.73,1.01,;7.22,1.41,;7.62,-.08,;8.95,-.85,;6.13,-.48,;-.94,-1.3,;-2.27,-.53,;-2.27,1.01,;-3.61,-1.3,;-5.07,-.83,;-5.98,-2.07,;-5.07,-3.32,;-3.61,-2.84,;-7.46,-1.67,;-8.55,-.58,;-8.95,-2.07,)|
C[C@@H]1CC(CCN1C(=O)[C@H]1CCC[C@@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)[C@H]1CCC[C@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)[C@H]1CC[C@@H](CC1)N(C)C)NC(=O)c1cc(on1)C1CC1 |r,wU:9.9,wD:1.0,12.16,(3.34,-1.3,;2.01,-.53,;.67,-1.3,;-.66,-.53,;-.66,1.01,;.67,1.78,;2.01,1.01,;3.34,1.78,;3.34,3.32,;4.67,1.01,;6.01,1.78,;7.34,1.01,;7.34,-.53,;6.01,-1.3,;4.67,-.53,;8.67,-1.3,;10.01,-.53,;8.67,-2.84,;-2,-1.3,;-3.33,-.53,;-3.33,1.01,;-4.66,-1.3,;-6.13,-.83,;-7.03,-2.07,;-6.13,-3.32,;-4.66,-2.84,;-8.52,-1.67,;-9.61,-.58,;-10.01,-2.07,)|
C[C@@H]1CC(CCN1C(=O)[C@H]1CC[C@H](N)CO1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1C(=O)[C@H]1CC[C@H](O)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:9.9,wD:1.0,12.13,(4.01,-1.3,;2.67,-.53,;1.34,-1.3,;.01,-.53,;.01,1.01,;1.34,1.78,;2.67,1.01,;4.01,1.78,;4.01,3.32,;5.34,1.01,;6.67,1.78,;8.01,1.01,;8.01,-.53,;9.34,-1.3,;6.67,-1.3,;5.34,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
C[C@@H]1CC(CCN1C(=O)[C@H]1C[C@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r,wU:9.9,wD:11.12,1.0,(4.4,-1.3,;3.06,-.53,;1.73,-1.3,;.4,-.53,;.4,1.01,;1.73,1.78,;3.06,1.01,;4.4,1.78,;4.4,3.32,;5.73,1.01,;7.22,1.41,;7.62,-.08,;8.95,-.85,;6.13,-.48,;-.94,-1.3,;-2.27,-.53,;-2.27,1.01,;-3.61,-1.3,;-5.07,-.83,;-5.98,-2.07,;-5.07,-3.32,;-3.61,-2.84,;-7.46,-1.67,;-8.55,-.58,;-8.95,-2.07,)|
C[C@@H]1CC(CCN1C[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.8,wD:1.0,11.12,(4.01,-.53,;2.67,.24,;1.34,-.53,;.01,.24,;.01,1.78,;1.34,2.55,;2.67,1.78,;4.01,2.55,;5.34,1.78,;6.67,2.55,;8.01,1.78,;8.01,.24,;9.34,-.53,;6.67,-.53,;5.34,.24,;-1.33,-.53,;-2.66,.24,;-2.66,1.78,;-4,-.53,;-5.46,-.06,;-6.37,-1.3,;-5.46,-2.55,;-4,-2.07,;-7.85,-.9,;-8.94,.19,;-9.34,-1.3,)|
C[C@@H]1CC(CCN1S(=O)(=O)C=C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CC(CCN1S(=O)(=O)CCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
C[C@@H]1CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H](N)Cc1ccc(O)cc1 |r|
C[C@@H]1CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:1.0,20.22,wD:23.26,(1.33,1.78,;-.01,1.01,;-1.34,1.78,;-2.67,1.01,;-2.67,-.53,;-1.34,-1.3,;-.01,-.53,;1.33,-1.3,;2.66,-.53,;2.66,1.01,;4,-1.3,;5.46,-.83,;6.37,-2.07,;5.46,-3.32,;4,-2.84,;7.85,-1.67,;9.34,-2.07,;8.94,-.58,;-4.01,1.78,;-4.01,3.32,;-5.34,1.01,;-5.34,-.53,;-6.67,-1.3,;-8.01,-.53,;-9.34,-1.3,;-8.01,1.01,;-6.67,1.78,)|
C[C@@H]1CN(CCC1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCN |r|
C[C@@H]1CN(CCN1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CC1CCNCC1 |r|
C[C@@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CCCN |r|
C[C@@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CN |r|
C[C@@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:6.7,20.22,1.0,wD:23.26,(1.33,1.78,;-.01,1.01,;-1.34,1.78,;-2.67,1.01,;-2.67,-.53,;-1.34,-1.3,;-.01,-.53,;1.33,-1.3,;2.66,-.53,;2.66,1.01,;4,-1.3,;5.46,-.83,;6.37,-2.07,;5.46,-3.32,;4,-2.84,;7.85,-1.67,;9.34,-2.07,;8.94,-.58,;-4.01,1.78,;-4.01,3.32,;-5.34,1.01,;-5.34,-.53,;-6.67,-1.3,;-8.01,-.53,;-9.34,-1.3,;-8.01,1.01,;-6.67,1.78,)|
C[C@@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCCN |r|
C[C@@H]1CN(CC[C@@H]1NC(=O)c1cc2CC(=O)Nc2cc1Cl)S(=O)(=O)N1CCC(N)CC1 |r|
C[C@@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CC1CCNCC1 |r|
C[C@@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CCCN |r|
C[C@@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CN |r|
C[C@@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:20.22,1.0,wD:6.7,23.26,(1.33,1.78,;-.01,1.01,;-1.34,1.78,;-2.67,1.01,;-2.67,-.53,;-1.34,-1.3,;-.01,-.53,;1.33,-1.3,;2.66,-.53,;2.66,1.01,;4,-1.3,;5.46,-.83,;6.37,-2.07,;5.46,-3.32,;4,-2.84,;7.85,-1.67,;9.34,-2.07,;8.94,-.58,;-4.01,1.78,;-4.01,3.32,;-5.34,1.01,;-5.34,-.53,;-6.67,-1.3,;-8.01,-.53,;-9.34,-1.3,;-8.01,1.01,;-6.67,1.78,)|
C[C@@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCCN |r|
C[C@@H]1CN(CC[C@H]1NC(=O)c1cc2CC(=O)Nc2cc1Cl)S(=O)(=O)N1CCC(N)CC1 |r|
C[C@@H]1CN([C@@H](C)CN1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1CN([C@H](C)C[C@@H]1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:21.23,wD:7.8,4.4,1.0,24.27,(-1.33,1.78,;.01,1.01,;1.34,1.78,;2.67,1.01,;2.67,-.53,;4.01,-1.3,;1.34,-1.3,;.01,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,;4.01,1.78,;4.01,3.32,;5.34,1.01,;6.67,1.78,;8.01,1.01,;8.01,-.53,;9.34,-1.3,;6.67,-1.3,;5.34,-.53,)|
C[C@@H]1CN([C@H](C)C[C@@H]1NC(=O)c1cc(on1)C1CC1)C(=O)c1ccc(cc1)C(C)(C)N |r|
C[C@@H]1CN([C@H](C)C[C@@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CC1CCNCC1 |r|
C[C@@H]1CN([C@H](C)C[C@@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCCN |r|
C[C@@H]1CN([C@H](C)C[C@@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCCNCc1ccccc1 |r|
C[C@@H]1CN([C@H](C)C[C@@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCN |r|
C[C@@H]1CN([C@H](C)C[C@@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCN1CCCC1 |r|
C[C@@H]1CN([C@H](C)C[C@@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)N1CCN(C)CC1 |r|
C[C@@H]1CN([C@H](C)C[C@@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)N1CCNCC1 |r|
C[C@@H]1CNCCN1S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)C1CCC(N)CC1)NC(=O)c1ccccc1 |r,wD:3.17,1.0,(2.67,-1.15,;1.33,-.38,;,-1.15,;-1.33,-.38,;-1.33,1.15,;,1.93,;1.33,1.15,;2.67,1.93,;2.67,3.47,;4,1.15,;4,-.38,;5.33,-1.15,;6.67,-.38,;8,-1.15,;6.67,1.15,;5.33,1.93,;-2.67,-1.15,;-4,-.38,;-4,1.15,;-5.33,-1.15,;-6.67,-.38,;-8,-1.15,;-8,-2.69,;-6.67,-3.47,;-5.33,-2.69,)|
C[C@@H]1C[C@@H](CCN1C(=O)C1CCCC(CN)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)CC(C)(C)CN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)CC(CN)Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)CC(CN)c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)CC(O)CN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)CC1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)CCCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)CCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:9.9,wD:3.17,1.0,12.13,(4.01,-1.3,;2.67,-.53,;1.34,-1.3,;.01,-.53,;.01,1.01,;1.34,1.78,;2.67,1.01,;4.01,1.78,;4.01,3.32,;5.34,1.01,;6.67,1.78,;8.01,1.01,;8.01,-.53,;9.34,-1.3,;6.67,-1.3,;5.34,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
C[C@@H]1C[C@@H](CCN1C(=O)c1ccc(CN(C)C)cc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)c1ccc(CN2CCNCC2)cc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)c1ccc(OCCN)cc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)c1ccc(OCCN2CCNCC2)cc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)c1ccc(cc1)C(C)(C)N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)c1ccc(cc1)C1(N)CCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)c1ccc(cc1)C1CCCNC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)c1ccc(cc1)C1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)c1ccc(nc1)N1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)c1ccc2[nH]cnc2c1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)c1ccc2n(C)cnc2c1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1C(=O)c1cccc(c1)C(C)(C)N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)C1CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)CC1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)CC1CCN(CCN2CCCCC2)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)CC1CCN(CCN2CCOCC2)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)CC1CCN(CCO)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)CC1CCN(CCc2ccccc2)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)CC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)CC1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)CCC(F)(F)F)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)CCC(N)Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)CCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)CCCN)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)CCCN)NC(=O)c1ccccc1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)CCc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)Cc1cccnc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)N(C)C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)N1CCCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)N1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)c1c[nH]cn1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)c1ccc(Cl)nc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)c1ccc(NC(C)=O)cc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)c1ccc(NCCN)nc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)c1ccc(NCCN2CCOCC2)nc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)c1ccc(nc1)N(C)CCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)c1ccc(nc1)N(C)CCN1CCOCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)c1cccc(c1)C#N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)c1ccccn1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@@H](CCN1S(=O)(=O)c1cn(C)cn1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1)NS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
C[C@@H]1C[C@H](CCN1C(=O)C1CCC(N)CC1)NC(=O)c1ccccc1 |r,wU:3.17,wD:1.0,(2.67,-1.15,;1.33,-.38,;,-1.15,;-1.33,-.38,;-1.33,1.15,;,1.93,;1.33,1.15,;2.67,1.93,;2.67,3.47,;4,1.15,;4,-.38,;5.33,-1.15,;6.67,-.38,;8,-1.15,;6.67,1.15,;5.33,1.93,;-2.67,-1.15,;-4,-.38,;-4,1.15,;-5.33,-1.15,;-6.67,-.38,;-8,-1.15,;-8,-2.69,;-6.67,-3.47,;-5.33,-2.69,)|
C[C@@H]1C[C@H](CCN1C(=O)C1CCCC(CN)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1C(=O)CC(C)(C)CN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1C(=O)CC(CN)Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1C(=O)CC(CN)c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1C(=O)CC(O)CN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1C(=O)CC1(CN)CCCCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1C(=O)CC1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1C(=O)CCCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1C(=O)CCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:3.17,9.9,wD:1.0,12.13,(4.01,-1.3,;2.67,-.53,;1.34,-1.3,;.01,-.53,;.01,1.01,;1.34,1.78,;2.67,1.01,;4.01,1.78,;4.01,3.32,;5.34,1.01,;6.67,1.78,;8.01,1.01,;8.01,-.53,;9.34,-1.3,;6.67,-1.3,;5.34,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
C[C@@H]1C[C@H](CCN1C(=O)c1ccc(cc1)C(C)(C)N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1C(=O)c1ccc2[nH]cnc2c1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1C(=O)c1cccc(c1)C(C)(C)N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)C(CCN)c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)C1CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)CC(F)(F)F)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)CCC(F)(F)F)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)CCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)CCCN)NC(=O)c1ccccc1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)CCc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)Cc1cccnc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)N1CCCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)N1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)N1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)c1ccc(Cl)nc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)c1ccc(NC(C)=O)cc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)c1ccc(NCCN2CCOCC2)nc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)c1ccc(nc1)N(C)CCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)c1cccc(c1)C#N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)c1ccccn1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)c1ccnc(c1)N(C)CCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@H]1C[C@H](CCN1S(=O)(=O)c1cn(C)cn1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@@]1(N)CCC(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:15.16,12.12,1.1,wD:17.21,1.0,TLB:8:11:14.13:18.17.16,(-9.82,.32,;-8.48,-.45,;-9.82,-1.22,;-7.71,-1.78,;-6.17,-1.78,;-5.4,-.45,;-6.17,.88,;-7.71,.88,;-3.86,-.45,;-3.86,1.09,;-3.86,-1.99,;-2.32,-.45,;-1.45,-2.2,;-2.65,-1.24,;-2.65,.3,;-1.45,1.26,;.06,.92,;.72,-.47,;.06,-1.86,;2.26,-.47,;3.03,.87,;2.26,2.2,;4.57,.87,;5.48,-.38,;6.94,.1,;6.94,1.64,;5.48,2.11,;8.28,-.67,;9.05,-2.01,;9.82,-.67,)|
C[C@H](C1CCN(C)CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17|
C[C@H](C1CCNCC1)C(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H](C1CCNCC1)C(=O)N1CC[C@@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H](C1CCNCC1)C(=O)N1CC[C@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H](C1CCNCC1)C(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H](C1CCNCC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
C[C@H](N)C(=O)N1CCC(C)(CNC(=O)c2ccc3NC(=O)Cc3c2)CC1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)C(C)n1nc(C)c(Br)c1C |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)C1=NNC(=O)CC1 |r,t:17|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)C1C[C@H]2C[C@@H]1C=C2 |r,c:23|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)CCCn1ccnc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)Cc1c[nH]c2ccccc12 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)Cc1c[nH]c2cccnc12 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)Cc1cc(F)cc(F)c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)Cc1ccc(F)cc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)Cc1ccc2NC(=O)Cc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)Cc1cccc(c1)C(F)(F)F |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)Cc1cccnc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)Cc1cncnc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)Cn1ccnc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)[C@@H]1C[C@H](F)CN1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)[C@H]1CC[C@H](N)CC1 |r,wU:16.16,wD:1.1,19.20,(8,1.54,;6.67,.77,;6.67,-.77,;5.33,1.54,;5.33,3.08,;4,.77,;4,-.77,;2.67,-1.54,;1.33,-.77,;1.33,.77,;2.67,1.54,;,-1.54,;,-3.08,;-1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-6.67,.77,;-8,1.54,;-5.33,1.54,;-4,.77,)|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)[C@H]1C[C@H](O)CN1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)[C@H]1Cc2ccccc2CN1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)\C=C\c1c[nH]cn1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1c(C)cc(C)[nH]c1=O |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1c(C)n[nH]c1C |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1c(N)c(C)nc2ccccc12 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1c[nH]c2ccccc12 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc(=O)c2ccccc2o1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc(Cl)[nH]n1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc(O)c2ccccc2n1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc(O)nc2ccccc12 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc(nn1C)C(C)(C)C |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc(nn1Cc1cccc(C)c1)C(C)(C)C |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc2cc(Cl)ccc2[nH]1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc2cc(F)ccc2[nH]1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc2cccc(C)c2[nH]1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc2cccc(O)c2cc1O |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc2ccccc2[nH]1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc2ccccc2n1C |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc2ccccc2nc1O |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc2cn[nH]c2cn1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cc[n+]([O-])cc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(C)nc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(Cl)cc1C(F)(F)F |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(N)cn1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(N)nc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(NC(C)=O)cn1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(O)cn1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(O)nc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(O)nn1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(cc1)-c1noc(C)n1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(cc1)-n1cncn1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(cc1)-n1cnnc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(cc1)N1CCCC1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(cc1)N1N=C(C)CC1=O |r,t:25|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc(cc1)S(N)(=O)=O |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2C(=O)NCc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2CCC(=O)Nc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2CCCCc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2NC(=O)CCc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2NC(=O)Cc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2OC(C)C(=O)Nc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2OC(F)(F)Oc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2OCOc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2[n+]([O-])onc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2[nH]c(=O)oc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2[nH]c(C)cc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2[nH]ccc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2cc(N)ccc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2cc[nH]c2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2ccc(O)nc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2ccccc2n1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2cnccc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2cnn(C)c2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2nc[nH]c2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2ncc(O)nc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2nccc(N)c2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2ncsc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2nonc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccc2oc(=O)ccc2c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cccc(F)n1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cccc(N)n1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cccc(c1)S(C)(=O)=O |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cccc2NC(=O)Cc12 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cccc2OC(F)(F)Oc12 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cccc2[nH]ccc12 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccccn1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cccnc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cccnc1O |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccn(C)n1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccnc(C)c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccnc(N)c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccnc(O)c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccncc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccncc1C |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccncc1F |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ccnn1C |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cn(CC(N)=O)nn1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cn2ccsc2n1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cn2ncccc2n1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cnc(C)cn1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cnc(C)nc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cnc2ccccc2n1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cncc(C)c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cncc(F)c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cncc(O)c1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cnccc1C |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cnccc1N |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cnccn1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cncnc1N |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cncnc1O |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1cncs1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1csnc1C |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1n[nH]c(=O)[nH]1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1n[nH]c2ccccc12 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1nc(C)n[nH]1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1nc2ccc(F)cc2s1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1nc2ccccc2[nH]1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1nc2ccccc2s1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1nc2ccncc2s1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ncc(C)s1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1nccc2ccccc12 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ncccc1O |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1ncccn1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1nccn1C |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1nccnc1N |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1nnc[nH]1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1nnn(c1C)-c1ccccc1 |r|
C[C@H](N)C(=O)N1CCC(CC1)C(C)NC(=O)c1noc(n1)C1CC1 |r|
C[C@H](N)C(=O)N1CCC(F)(CNC(=O)c2ccc3NC(=O)Cc3c2)CC1 |r|
C[C@H](N)C(=O)N1CCC(O)(CNC(=O)c2ccc3NC(=O)Cc3c2)CC1 |r|
C[C@H](N)C(=O)N1CC[C@@H](CNC(=O)c2ccc3NC(=O)Cc3c2)C1 |r|
C[C@H](N)C(=O)N1CC[C@H](CNC(=O)c2ccc3NC(=O)Cc3c2)C1 |r|
C[C@H](N)C(=O)NCCCCNC(=O)c1ccc2NC(=O)Cc2c1 |r|
C[C@H](N)C(=O)NC[C@@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NCc1cc(on1)C1CC1 |r|
C[C@H](N)C(=O)NC[C@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NCc1cc(on1)C1CC1 |r|
C[C@H](N)CC(=O)NC[C@@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H](N)CC(=O)NC[C@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(C)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,1.1,(-9.4,-2.31,;-8.07,-1.54,;-8.07,,;-6.73,-2.31,;-5.4,-1.54,;-5.4,,;-4.07,-2.31,;-2.73,-1.54,;-2.73,,;-1.4,.77,;-.07,,;-.07,-1.54,;-1.4,-2.31,;1.27,.77,;1.27,2.31,;2.6,,;2.6,-1.54,;3.93,.77,;5.18,-.14,;6.43,.77,;5.95,2.23,;4.41,2.23,;7.91,.37,;9,-.72,;9.4,.77,)|
C[C@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(CCO)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,1.1,(-8.73,-3.43,;-7.4,-2.66,;-7.4,-1.12,;-6.07,-3.43,;-4.73,-2.66,;-4.73,-1.12,;-3.4,-3.43,;-2.07,-2.66,;-2.07,-1.12,;-.73,-.35,;.6,-1.12,;.6,-2.66,;-.73,-3.43,;1.93,-.35,;3.27,-1.12,;3.27,-2.66,;4.6,-3.43,;1.93,1.19,;.6,1.96,;3.27,1.96,;4.51,1.06,;5.76,1.96,;5.28,3.43,;3.74,3.43,;7.25,1.56,;8.34,.48,;8.73,1.96,)|
C[C@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(CCc1ccccc1)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,1.1,(-8.73,-2.27,;-7.4,-1.5,;-7.4,.04,;-6.07,-2.27,;-4.73,-1.5,;-4.73,.04,;-3.4,-2.27,;-2.07,-1.5,;-2.07,.04,;-.73,.81,;.6,.04,;.6,-1.5,;-.73,-2.27,;1.93,.81,;3.27,.04,;3.27,-1.5,;4.6,-2.27,;4.6,-3.81,;5.94,-4.58,;7.27,-3.81,;7.27,-2.27,;5.94,-1.5,;1.93,2.35,;.6,3.12,;3.27,3.12,;4.51,2.21,;5.76,3.12,;5.28,4.58,;3.74,4.58,;7.25,2.72,;8.34,1.63,;8.73,3.12,)|
C[C@H](N)CC(=O)N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,1.1,(-9.4,-3.85,;-8.07,-3.08,;-8.07,-1.54,;-6.73,-3.85,;-5.4,-3.08,;-5.4,-1.54,;-4.07,-3.85,;-2.73,-3.08,;-2.73,-1.54,;-1.4,-.77,;-.07,-1.54,;-.07,-3.08,;-1.4,-3.85,;1.27,-.77,;1.27,.77,;-.07,1.54,;-.07,3.08,;-1.4,3.85,;-2.73,3.08,;-2.73,1.54,;-1.4,.77,;2.6,-1.54,;2.6,-3.08,;3.93,-.77,;5.18,-1.68,;6.43,-.77,;5.95,.69,;4.41,.69,;7.91,-1.17,;9,-2.26,;9.4,-.77,)|
C[C@H](N)CC(=O)N[C@H]1CC[C@H](CC1)N(C)C(=O)c1cc(on1)C1CC1 |r,wU:7.6,10.13,wD:1.1,(-9.4,-2.31,;-8.07,-1.54,;-8.07,,;-6.73,-2.31,;-5.4,-1.54,;-5.4,,;-4.07,-2.31,;-2.73,-1.54,;-2.73,,;-1.4,.77,;-.07,,;-.07,-1.54,;-1.4,-2.31,;1.27,.77,;1.27,2.31,;2.6,,;2.6,-1.54,;3.93,.77,;5.18,-.14,;6.43,.77,;5.95,2.23,;4.41,2.23,;7.91,.37,;9,-.72,;9.4,.77,)|
C[C@H](N)c1ccc(cc1)C(=O)N1CC[C@H](C[C@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H](N)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17|
C[C@H](NC1CCN(CC1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1)c1ccccc1 |r|
C[C@H](NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1)c1ccc(F)cc1 |r,TLB:9:12:15.14:19.18.17|
C[C@H](NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1)c1ccccc1 |r,TLB:9:12:15.14:19.18.17|
C[C@H]1CC(CCN1C(=O)C(C)(C)C1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)C1(F)CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)C12C3C4C1C1C2C3C41N)NC(=O)c1cc(on1)C1CC1 |r,wD:1.0,(-3.24,-1.32,;-2.15,-.23,;-.66,-.62,;.43,.46,;.03,1.95,;-1.46,2.35,;-2.55,1.26,;-4.03,1.66,;-4.43,3.15,;-5.12,.57,;-6.21,-.52,;-7.75,-.52,;-8.84,.57,;-8.84,-3.15,;-5.12,-3.15,;-6.21,-2.06,;-7.75,-2.06,;-9.96,-2.82,;1.92,.07,;3.01,1.15,;2.61,2.64,;4.49,.76,;5.74,1.66,;6.99,.76,;6.51,-.71,;4.97,-.71,;8.47,1.15,;9.96,.76,;9.56,2.24,)|
C[C@H]1CC(CCN1C(=O)C1CC2(C1)CCNC2)NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,(3.88,-1.3,;2.55,-.53,;1.21,-1.3,;-.12,-.53,;-.12,1.01,;1.21,1.78,;2.55,1.01,;3.88,1.78,;3.88,3.32,;5.21,1.01,;5.61,-.48,;7.1,-.08,;6.7,1.41,;8.56,.39,;9.47,-.85,;8.56,-2.1,;7.1,-1.62,;-1.46,-1.3,;-2.79,-.53,;-2.79,1.01,;-4.12,-1.3,;-5.59,-.83,;-6.49,-2.07,;-5.59,-3.32,;-4.12,-2.84,;-7.98,-1.67,;-9.07,-.58,;-9.47,-2.07,)|
C[C@H]1CC(CCN1C(=O)C1CC2(CC(N)C2)C1)NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,(3.45,-1.3,;2.12,-.53,;.79,-1.3,;-.55,-.53,;-.55,1.01,;.79,1.78,;2.12,1.01,;3.45,1.78,;3.45,3.32,;4.79,1.01,;5.19,-.48,;6.67,-.08,;7.07,-1.57,;8.56,-1.17,;9.89,-1.94,;8.16,.32,;6.27,1.41,;-1.88,-1.3,;-3.21,-.53,;-3.21,1.01,;-4.55,-1.3,;-6.01,-.83,;-6.92,-2.07,;-6.01,-3.32,;-4.55,-2.84,;-8.41,-1.67,;-9.49,-.58,;-9.89,-2.07,)|
C[C@H]1CC(CCN1C(=O)C1CCCNC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)C1CNCC(O)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)CC(C)(C)CN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)CC(O)CN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)CC1(C)CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)CC1(CN)CCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)CC1(O)CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)CC12CC3CCC(C1)N23)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)CC1CCCC(N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)CCC1CCNC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)CCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)CCN1CCCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)CN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)CN1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)C[C@H](O)CCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)N1CCC(N)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)[C@@H]1CC[C@@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)[C@@H]1CC[C@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)[C@@H]1C[C@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,wD:9.9,11.12,(4.4,-1.3,;3.06,-.53,;1.73,-1.3,;.4,-.53,;.4,1.01,;1.73,1.78,;3.06,1.01,;4.4,1.78,;4.4,3.32,;5.73,1.01,;7.22,1.41,;7.62,-.08,;8.95,-.85,;6.13,-.48,;-.94,-1.3,;-2.27,-.53,;-2.27,1.01,;-3.61,-1.3,;-5.07,-.83,;-5.98,-2.07,;-5.07,-3.32,;-3.61,-2.84,;-7.46,-1.67,;-8.55,-.58,;-8.95,-2.07,)|
C[C@H]1CC(CCN1C(=O)[C@H]1CCC[C@@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)[C@H]1CCC[C@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)[C@H]1CC[C@@H](CC1)N(C)C)NC(=O)c1cc(on1)C1CC1 |r,wU:9.9,1.0,wD:12.16,(3.34,-1.3,;2.01,-.53,;.67,-1.3,;-.66,-.53,;-.66,1.01,;.67,1.78,;2.01,1.01,;3.34,1.78,;3.34,3.32,;4.67,1.01,;6.01,1.78,;7.34,1.01,;7.34,-.53,;6.01,-1.3,;4.67,-.53,;8.67,-1.3,;10.01,-.53,;8.67,-2.84,;-2,-1.3,;-3.33,-.53,;-3.33,1.01,;-4.66,-1.3,;-6.13,-.83,;-7.03,-2.07,;-6.13,-3.32,;-4.66,-2.84,;-8.52,-1.67,;-9.61,-.58,;-10.01,-2.07,)|
C[C@H]1CC(CCN1C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r,wU:1.0,9.9,wD:12.13,(-4.62,1.15,;-3.29,.38,;-1.95,1.15,;-.62,.38,;-.62,-1.15,;-1.95,-1.93,;-3.29,-1.15,;-4.62,-1.93,;-4.62,-3.47,;-5.96,-1.15,;-7.29,-1.93,;-8.62,-1.15,;-8.62,.38,;-9.96,1.15,;-7.29,1.15,;-5.96,.38,;.71,1.15,;2.05,.38,;2.05,-1.15,;3.38,1.15,;4.71,.38,;6.05,1.15,;7.51,.68,;8.42,1.93,;9.96,1.93,;7.51,3.17,;6.05,2.69,;4.71,3.47,;3.38,2.69,;2.05,3.47,)|
C[C@H]1CC(CCN1C(=O)[C@H]1CC[C@H](N)CO1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1C(=O)[C@H]1C[C@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r,wU:9.9,1.0,wD:11.12,(4.4,-1.3,;3.06,-.53,;1.73,-1.3,;.4,-.53,;.4,1.01,;1.73,1.78,;3.06,1.01,;4.4,1.78,;4.4,3.32,;5.73,1.01,;7.22,1.41,;7.62,-.08,;8.95,-.85,;6.13,-.48,;-.94,-1.3,;-2.27,-.53,;-2.27,1.01,;-3.61,-1.3,;-5.07,-.83,;-5.98,-2.07,;-5.07,-3.32,;-3.61,-2.84,;-7.46,-1.67,;-8.55,-.58,;-8.95,-2.07,)|
C[C@H]1CC(CCN1C[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.8,1.0,wD:11.12,(4.01,-.53,;2.67,.24,;1.34,-.53,;.01,.24,;.01,1.78,;1.34,2.55,;2.67,1.78,;4.01,2.55,;5.34,1.78,;6.67,2.55,;8.01,1.78,;8.01,.24,;9.34,-.53,;6.67,-.53,;5.34,.24,;-1.33,-.53,;-2.66,.24,;-2.66,1.78,;-4,-.53,;-5.46,-.06,;-6.37,-1.3,;-5.46,-2.55,;-4,-2.07,;-7.85,-.9,;-8.94,.19,;-9.34,-1.3,)|
C[C@H]1CC(CCN1S(=O)(=O)C=C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1S(=O)(=O)CCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CC(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)N)NC(=O)c1ccc2NC(=O)Cc2c1 |r|
C[C@H]1CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
C[C@H]1CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H](N)Cc1ccc(O)cc1 |r|
C[C@H]1CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:20.22,wD:1.0,23.26,(1.33,1.78,;-.01,1.01,;-1.34,1.78,;-2.67,1.01,;-2.67,-.53,;-1.34,-1.3,;-.01,-.53,;1.33,-1.3,;2.66,-.53,;2.66,1.01,;4,-1.3,;5.46,-.83,;6.37,-2.07,;5.46,-3.32,;4,-2.84,;7.85,-1.67,;9.34,-2.07,;8.94,-.58,;-4.01,1.78,;-4.01,3.32,;-5.34,1.01,;-5.34,-.53,;-6.67,-1.3,;-8.01,-.53,;-9.34,-1.3,;-8.01,1.01,;-6.67,1.78,)|
C[C@H]1CN(CCC1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCN |r|
C[C@H]1CN(CCC1NC(=O)c1cc2CC(=O)Nc2cc1Cl)S(=O)(=O)N1CCC(N)CC1 |r|
C[C@H]1CN(CCC1NCc1cc(on1)C1CC1)C(=O)CN |r|
C[C@H]1CN(CCN1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CCCN |r|
C[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCCN |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CCCN |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CC1CCN(C)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CC1CCN(CCC(F)(F)F)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CC1CCN(CCCC(F)(F)F)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CC1CCN(CCCO)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CC1CCN(CCN2CCCCC2)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CC1CCN(CCN2CCOCC2)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CC1CCN(CCO)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CC1CCN(Cc2ccccc2)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CC1CCNCC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCCN |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)N(C)C1CCN(C)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)N(C)C1CCN(Cc2ccccc2)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)N(C)C1CCNCC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)N1CCC(CC1)NCc1ccccc1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)N1CCC(N)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)N1CCN(C)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)N1CCNCC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)NC1CCN(C)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)NC1CCNCC1 |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)[C@@H]1CC[C@@H](CC1)N(C)C |r,wD:24.30,21.23,1.0,6.7,(2.05,.24,;.71,-.53,;-.62,.24,;-1.95,-.53,;-1.95,-2.07,;-.62,-2.84,;.71,-2.07,;2.05,-2.84,;3.38,-2.07,;3.38,-.53,;4.71,-2.84,;6.18,-2.37,;7.08,-3.61,;6.18,-4.86,;4.71,-4.38,;8.62,-3.61,;9.96,-4.38,;9.96,-2.84,;-3.29,.24,;-2.52,1.57,;-4.06,-1.1,;-4.62,1.01,;-5.96,.24,;-7.29,1.01,;-7.29,2.55,;-5.96,3.32,;-4.62,2.55,;-8.62,3.32,;-8.62,4.86,;-9.96,2.55,)|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)[C@@H]1CC[C@H](N)CC1 |r,wD:24.27,21.23,1.0,6.7,(1.38,1.01,;.05,.24,;-1.29,1.01,;-2.62,.24,;-2.62,-1.3,;-1.29,-2.07,;.05,-1.3,;1.38,-2.07,;2.71,-1.3,;2.71,.24,;4.05,-2.07,;5.51,-1.6,;6.42,-2.84,;5.51,-4.09,;4.05,-3.61,;7.96,-2.84,;9.29,-3.61,;9.29,-2.07,;-3.96,1.01,;-3.19,2.34,;-4.73,-.33,;-5.29,1.78,;-6.62,1.01,;-7.96,1.78,;-7.96,3.32,;-9.29,4.09,;-6.62,4.09,;-5.29,3.32,)|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)[C@H]1CC[C@@H](CC1)N(C)C |r,wU:21.23,wD:1.0,6.7,24.30,(2.05,.24,;.71,-.53,;-.62,.24,;-1.95,-.53,;-1.95,-2.07,;-.62,-2.84,;.71,-2.07,;2.05,-2.84,;3.38,-2.07,;3.38,-.53,;4.71,-2.84,;6.18,-2.37,;7.08,-3.61,;6.18,-4.86,;4.71,-4.38,;8.62,-3.61,;9.96,-4.38,;9.96,-2.84,;-3.29,.24,;-2.52,1.57,;-4.06,-1.1,;-4.62,1.01,;-5.96,.24,;-7.29,1.01,;-7.29,2.55,;-5.96,3.32,;-4.62,2.55,;-8.62,3.32,;-9.96,2.55,;-8.62,4.86,)|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)[C@H]1CC[C@H](N)CC1 |r,wU:21.23,wD:24.27,1.0,6.7,(1.38,1.01,;.05,.24,;-1.29,1.01,;-2.62,.24,;-2.62,-1.3,;-1.29,-2.07,;.05,-1.3,;1.38,-2.07,;2.71,-1.3,;2.71,.24,;4.05,-2.07,;5.51,-1.6,;6.42,-2.84,;5.51,-4.09,;4.05,-3.61,;7.96,-2.84,;9.29,-3.61,;9.29,-2.07,;-3.96,1.01,;-3.19,2.34,;-4.73,-.33,;-5.29,1.78,;-6.62,1.01,;-7.96,1.78,;-7.96,3.32,;-9.29,4.09,;-6.62,4.09,;-5.29,3.32,)|
C[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)N |r|
C[C@H]1CN([C@@H](C)CN1)S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1CN([C@@H](C)CN1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
C[C@H]1CN([C@@H](C)C[C@H]1NC(=O)c1cc(on1)C1CC1)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:7.8,4.4,1.0,21.23,wD:24.27,(-1.33,1.78,;.01,1.01,;1.34,1.78,;2.67,1.01,;2.67,-.53,;4.01,-1.3,;1.34,-1.3,;.01,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,;4.01,1.78,;4.01,3.32,;5.34,1.01,;6.67,1.78,;8.01,1.01,;8.01,-.53,;9.34,-1.3,;6.67,-1.3,;5.34,-.53,)|
C[C@H]1CN([C@@H](C)C[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CC1CCNCC1 |r|
C[C@H]1CN([C@@H](C)C[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCCN |r|
C[C@H]1CN([C@@H](C)C[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCCNCc1ccccc1 |r|
C[C@H]1CN([C@@H](C)C[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCN |r|
C[C@H]1CN([C@@H](C)C[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)CCN1CCCC1 |r|
C[C@H]1CN([C@@H](C)C[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)N1CCN(C)CC1 |r|
C[C@H]1CN([C@@H](C)C[C@H]1NC(=O)c1cc(on1)C1CC1)S(=O)(=O)N1CCNCC1 |r|
C[C@H]1CNCCN1S(=O)(=O)N1CC[C@@H](C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1C(=O)C1CCC(N)CC1)NC(=O)c1ccccc1 |r,wU:1.0,wD:3.17,(2.67,-1.15,;1.33,-.38,;,-1.15,;-1.33,-.38,;-1.33,1.15,;,1.93,;1.33,1.15,;2.67,1.93,;2.67,3.47,;4,1.15,;4,-.38,;5.33,-1.15,;6.67,-.38,;8,-1.15,;6.67,1.15,;5.33,1.93,;-2.67,-1.15,;-4,-.38,;-4,1.15,;-5.33,-1.15,;-6.67,-.38,;-8,-1.15,;-8,-2.69,;-6.67,-3.47,;-5.33,-2.69,)|
C[C@H]1C[C@@H](CCN1C(=O)C1CCCC(CN)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1C(=O)CC(C)(C)CN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1C(=O)CC(CN)Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1C(=O)CC(CN)c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1C(=O)CC1(CN)CCCCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1C(=O)CC1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1C(=O)CCCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1C(=O)CCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:9.9,1.0,wD:3.17,12.13,(4.01,-1.3,;2.67,-.53,;1.34,-1.3,;.01,-.53,;.01,1.01,;1.34,1.78,;2.67,1.01,;4.01,1.78,;4.01,3.32,;5.34,1.01,;6.67,1.78,;8.01,1.01,;8.01,-.53,;9.34,-1.3,;6.67,-1.3,;5.34,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
C[C@H]1C[C@@H](CCN1C(=O)c1ccc(cc1)C(C)(C)N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1C(=O)c1ccc2[nH]cnc2c1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1C(=O)c1cccc(c1)C(C)(C)N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)C1CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)CC(F)(F)F)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)CCC(F)(F)F)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)CCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)CCc1ccccc1)NCc1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)Cc1cccnc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)N(C)C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)N1CCC(N)CC1)NC(=O)c1nnc(s1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)N1CCCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)N1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)c1ccc(Cl)nc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)c1ccc(NC(C)=O)cc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)c1ccc(NCCN)nc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)c1ccc(NCCN2CCOCC2)nc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)c1ccc(nc1)N(C)CCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)c1cccc(c1)C#N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)c1ccccn1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@@H](CCN1S(=O)(=O)c1cn(C)cn1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1)NS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
C[C@H]1C[C@H](CCN1C(=O)C1CCC(N)CC1)NC(=O)c1ccccc1 |r,wU:3.17,1.0,(2.67,-1.15,;1.33,-.38,;,-1.15,;-1.33,-.38,;-1.33,1.15,;,1.93,;1.33,1.15,;2.67,1.93,;2.67,3.47,;4,1.15,;4,-.38,;5.33,-1.15,;6.67,-.38,;8,-1.15,;6.67,1.15,;5.33,1.93,;-2.67,-1.15,;-4,-.38,;-4,1.15,;-5.33,-1.15,;-6.67,-.38,;-8,-1.15,;-8,-2.69,;-6.67,-3.47,;-5.33,-2.69,)|
C[C@H]1C[C@H](CCN1C(=O)C1CCCC(CN)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1C(=O)CC(C)(C)CN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1C(=O)CC(CN)Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1C(=O)CC(CN)c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1C(=O)CC1(CN)CCCCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1C(=O)CC1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1C(=O)CCCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1C(=O)CCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1C(=O)N1CCN(Cc2ccccc2)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:3.17,9.9,1.0,wD:12.13,(4.01,-1.3,;2.67,-.53,;1.34,-1.3,;.01,-.53,;.01,1.01,;1.34,1.78,;2.67,1.01,;4.01,1.78,;4.01,3.32,;5.34,1.01,;6.67,1.78,;8.01,1.01,;8.01,-.53,;9.34,-1.3,;6.67,-1.3,;5.34,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
C[C@H]1C[C@H](CCN1C(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1ccc2NC(=O)Cc2c1 |r,wU:3.17,1.0,9.9,wD:12.13,(-4.62,1.15,;-3.29,.38,;-1.95,1.15,;-.62,.38,;-.62,-1.15,;-1.95,-1.93,;-3.29,-1.15,;-4.62,-1.93,;-4.62,-3.47,;-5.96,-1.15,;-7.29,-1.93,;-8.62,-1.15,;-8.62,.38,;-9.96,1.15,;-7.29,1.15,;-5.96,.38,;.71,1.15,;2.05,.38,;2.05,-1.15,;3.38,1.15,;3.38,2.69,;4.71,3.47,;6.05,2.69,;7.51,3.17,;8.42,1.93,;9.96,1.93,;7.51,.68,;6.05,1.15,;4.71,.38,)|
C[C@H]1C[C@H](CCN1C(=O)c1ccc(cc1)C(C)(C)N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1C(=O)c1ccc2[nH]cnc2c1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1C(=O)c1cccc(c1)C(C)(C)N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=C)(=O)C[C@H]1CCC[C@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)C(CCN)c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)C1CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)C1CCC(CN)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)C1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)C1CCOC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC(F)(F)F)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCC(C1)N(C)C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCCC(N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCCCN1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCN(CCN2CCCCC2)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCN(CCN2CCOCC2)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCN(CCO)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCN(CCc2ccccc2)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC1CCNCC1)NC(=O)c1ccc2NC(=O)Cc2c1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCC(F)(F)F)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCCCN(C)C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCCN)NC(=O)c1ccccc1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCCNC(c1ccccc1)c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCCNCC(C)(C)C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCCNCC1CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCCNCC1CCCCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCCNCc1ccc(cc1)C(F)(F)F)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCCNCc1ccc2ccccc2c1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCCNCc1cccc(c1)C(F)(F)F)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCCNCc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCCNc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC[C@@H]1CCN(C)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC[C@@H]1CCNC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC[C@H]1CCN(C)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CC[C@H]1CCNC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)CCc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)C[C@@H]1CCCNC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)C[C@@H]1CCC[C@@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)C[C@@H]1CC[C@@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)C[C@H]1CCCNC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)C[C@H]1CC[C@H](N)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)Cc1cccnc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N(C)C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N(C)C1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N(C)CCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1C2CC1CNC2)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1C2CCC1CNC2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:12.13:15.16.17|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CC2CC(C1)N2)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CC2CC1CN2)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CC2CCC(C1)N2)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CC2CCC(C1)N2C)NC(=O)c1cc(on1)C1CC1 |r,TLB:18:17:13.14:16.10.11|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CC2CCC1CN2)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CC2CCC1CN2C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(C)(N)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(CC1)N(C)C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(CC1)N(C)CCN1CCOCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(CC1)N(C)CCO)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(CC1)N(C)Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(CC1)N1CCCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(CC1)NC(C)(C)c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(CC1)NCCN1CCOCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(CC1)NCCO)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(CC1)NCc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(N)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(N)CC1)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(N)CC1)NC(=O)c1ccc2NC(=O)Cc2c1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(N)CC1)NC(=O)c1cnn(c1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC(N)CC1)NC(=O)c1nnc(s1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC2(CCCN2)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCC2(CCN2)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCN(C)C(C)(C)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCN(C)C(C)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCN(C)CC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCN(C)C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCN(C)[C@@H](C)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCN(C)[C@H](C)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCN(C)[C@H](CCO)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCNC(C)(C)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCNC(Cc2ccccc2)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCNCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCNCC1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCNC[C@@H]1c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCNC[C@H]1c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1CCN[C@@H](C1)c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1C[C@@H](C)N(C)C[C@@H]1C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1C[C@H](C)N(C)[C@H](C)C1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)N1C[C@H]2C[C@@H]1CN2C)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)NCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)NCc1c(F)cccc1Cl)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)[C@@H]1CCCNC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)[C@H]1CCCNC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)[C@H]1CC[C@H](N)CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:3.18,1.0,10.10,wD:13.14,(3.96,-2.07,;2.62,-1.3,;1.29,-2.07,;-.05,-1.3,;-.05,.24,;1.29,1.01,;2.62,.24,;3.96,1.01,;3.19,2.34,;4.73,-.33,;5.29,1.78,;5.29,3.32,;6.62,4.09,;7.96,3.32,;9.29,4.09,;7.96,1.78,;6.62,1.01,;-1.38,-2.07,;-2.71,-1.3,;-2.71,.24,;-4.05,-2.07,;-5.51,-1.6,;-6.42,-2.84,;-5.51,-4.09,;-4.05,-3.61,;-7.96,-2.84,;-9.29,-2.07,;-9.29,-3.61,)|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1c[nH]cn1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1cc(C)ccn1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(CNC(C)=O)cc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(Cl)cn1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(Cl)nc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(N)nc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(NC(C)=O)cc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(NC(C)=O)cc1)NC(=O)c1ccc2NC(=O)Cc2c1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(NCCN)nc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(NCCN2CCOCC2)nc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)N)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(nc1)C#N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(nc1)N(C)CCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccc(nc1)N(C)CCN1CCOCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1cccc(N)n1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1cccc(NCCCN)n1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1cccc(c1)C#N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1cccc(c1)C(N)=O)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1cccc(n1)C(F)(F)F)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1cccc(n1)N(C)CCN1CCOCC1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccccn1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1cccnc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1cccnc1N)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1cccnc1NCCN)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccnc(N)c1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1ccncc1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1C[C@H](CCN1S(=O)(=O)c1cn(C)cn1)NC(=O)c1cc(on1)C1CC1 |r|
C[C@H]1Oc2ccc(cc2NC1=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1 |r,TLB:23:22:16.15.21:19.18|
Cc1[nH]cnc1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:9.9,wD:12.13,(5.38,-5.05,;3.91,-5.53,;3.44,-6.99,;1.9,-6.99,;1.42,-5.53,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;1.33,3.85,;2.67,1.54,;2.67,,)|
Cc1c(nnn1-c1ccccc1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:15.16,wD:18.23,(5.41,-1.32,;4.64,.01,;3.17,.49,;3.17,2.03,;4.64,2.5,;5.54,1.26,;7.08,1.26,;7.85,-.08,;9.39,-.08,;10.16,1.26,;9.39,2.59,;7.85,2.59,;1.84,-.28,;1.84,-1.82,;.51,.49,;-.83,-.28,;-.83,-1.82,;-2.16,-2.59,;-3.49,-1.82,;-3.49,-.28,;-2.16,.49,;-4.83,-2.59,;-6.16,-1.82,;-6.16,-.28,;-7.5,-2.59,;-8.83,-1.82,;-10.16,-2.59,)|
Cc1c(nnn1-c1ccccc1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:15.16,wD:18.20,(2.74,-1.32,;1.97,.01,;.51,.49,;.51,2.03,;1.97,2.5,;2.88,1.26,;4.42,1.26,;5.19,-.08,;6.73,-.08,;7.5,1.26,;6.73,2.59,;5.19,2.59,;-.83,-.28,;-.83,-1.82,;-2.16,.49,;-3.49,-.28,;-3.49,-1.82,;-4.83,-2.59,;-6.16,-1.82,;-7.5,-2.59,;-6.16,-.28,;-4.83,.49,)|
Cc1c[nH]c(n1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:9.9,wD:12.13,(5.96,1.3,;4.42,1.3,;3.51,2.55,;2.05,2.07,;2.05,.53,;3.51,.06,;.71,-.24,;.71,-1.78,;-.62,.53,;-1.95,-.24,;-1.95,-1.78,;-3.29,-2.55,;-4.62,-1.78,;-5.96,-2.55,;-4.62,-.24,;-3.29,.53,)|
Cc1cc(C(=O)NC(C2CCNCC2)c2ccccc2)n(Cc2ccccc2)n1
Cc1cc(C(=O)NC(C2CCNCC2)c2ccccc2)n(n1)-c1ccccc1
Cc1cc(C(=O)N[C@H]2CC[C@H](N)CC2)n(Cc2ccccc2)n1 |r,wU:10.10,wD:7.6,(5.29,-.08,;3.75,-.08,;2.84,-1.33,;1.38,-.85,;.05,-1.62,;-1.29,-.85,;.05,-3.16,;-1.29,-3.93,;-2.62,-3.16,;-3.96,-3.93,;-3.96,-5.47,;-5.29,-6.24,;-2.62,-6.24,;-1.29,-5.47,;1.38,.69,;.29,1.78,;.69,3.27,;2.18,3.66,;2.58,5.15,;1.49,6.24,;-0,5.84,;-.4,4.35,;2.84,1.17,)|
Cc1cc(C(=O)N[C@H]2CC[C@H](N)CC2)n(n1)-c1ccccc1 |r,wU:7.6,wD:10.10,(5.96,-.29,;4.42,-.29,;3.51,-1.54,;2.05,-1.06,;.71,-1.83,;.71,-3.37,;-.62,-1.06,;-1.95,-1.83,;-1.95,-3.37,;-3.29,-4.14,;-4.62,-3.37,;-5.96,-4.14,;-4.62,-1.83,;-3.29,-1.06,;2.05,.48,;3.51,.95,;.96,1.57,;1.36,3.05,;.27,4.14,;-1.22,3.74,;-1.62,2.26,;-.53,1.17,)|
Cc1cc(C(=O)Nc2ccc(CN)cc2)n(n1)-c1ccccc1
Cc1cc(C)c(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)CCN)c(=O)[nH]1 |r,wU:9.8,wD:12.15,(8.67,2.69,;7.34,1.92,;7.34,.38,;6,-.38,;6,-1.92,;4.67,.38,;3.33,-.39,;3.33,-1.93,;2,.38,;.67,-.39,;.67,-1.93,;-.67,-2.7,;-2,-1.93,;-2,-.39,;-.67,.38,;-3.33,-2.7,;-4.67,-1.93,;-4.67,-.39,;-6,-2.7,;-7.34,-1.93,;-8.67,-2.7,;4.67,1.92,;3.33,2.7,;6,2.69,)|
Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](N)CC2)c(=O)[nH]1 |r,wU:9.8,wD:12.12,(-6,-2.69,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;-2,-.38,;-.67,.38,;-.67,1.93,;.67,-.38,;2,.38,;2,1.93,;3.33,2.69,;4.67,1.93,;6,2.69,;4.67,.38,;3.33,-.38,;-3.33,.38,;-3.33,1.93,;-4.67,-.38,)|
Cc1cc(ccn1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:10.10,wD:13.17,(8.67,-.38,;7.34,.38,;6,-.38,;4.67,.38,;4.67,1.93,;6,2.69,;7.34,1.93,;3.33,-.38,;3.33,-1.93,;2,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,-2.69,;-7.34,-1.92,;-8.67,-2.69,)|
Cc1cc(ccn1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(-6,.38,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-.67,.38,;-.67,1.93,;.67,-.38,;2,.38,;2,1.93,;3.33,2.69,;4.67,1.93,;6,2.69,;4.67,.38,;3.33,-.38,)|
Cc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(N)CC1 |r,TLB:22:21:15.14.20:18.17|
Cc1cc2[nH]c(cc2o1)C(=O)NC(C1CCNCC1)c1ccccc1
Cc1cc2[nH]c(cc2o1)C(=O)NC1CCNCC1
Cc1cc2[nH]c(cc2o1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:12.13,wD:15.17,(7.37,.67,;5.83,.67,;4.93,-.58,;3.47,-.1,;2,-.58,;1.1,.67,;2,1.91,;3.47,1.44,;4.93,1.91,;-.44,.67,;-1.21,2,;-1.21,-.67,;-2.75,-.67,;-3.52,-2,;-5.06,-2,;-5.83,-.67,;-7.37,-.67,;-5.06,.67,;-3.52,.67,)|
Cc1cc2[nH]c(cc2o1)C(=O)Nc1ccc(CN)cc1
Cc1cc2cc(ccc2[nH]1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:13.14,wD:16.21,(9.96,1.15,;8.42,1.15,;7.51,-.09,;6.05,.38,;4.71,-.38,;3.38,.38,;3.38,1.93,;4.71,2.69,;6.05,1.93,;7.51,2.4,;2.05,-.38,;2.05,-1.93,;.71,.38,;-.62,-.38,;-.62,-1.93,;-1.95,-2.69,;-3.29,-1.93,;-3.29,-.38,;-1.95,.38,;-4.62,-2.69,;-5.96,-1.93,;-5.96,-.38,;-7.29,-2.69,;-8.62,-1.93,;-9.96,-2.69,)|
Cc1cc2cc(ccc2[nH]1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:13.14,wD:16.18,(7.29,1.15,;5.75,1.15,;4.84,-.09,;3.38,.38,;2.05,-.38,;.71,.38,;.71,1.93,;2.05,2.69,;3.38,1.93,;4.84,2.4,;-.62,-.38,;-.62,-1.93,;-1.95,.38,;-3.29,-.38,;-3.29,-1.93,;-4.62,-2.69,;-5.96,-1.93,;-7.29,-2.69,;-5.96,-.38,;-4.62,.38,)|
Cc1ccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)cc1 |r,wU:7.6,wD:10.10,(47.1,-24.77,;47.11,-23.24,;45.79,-22.46,;45.81,-20.92,;47.14,-20.18,;47.16,-18.65,;45.84,-17.87,;44.5,-18.62,;44.48,-20.17,;43.15,-20.93,;41.82,-20.14,;40.48,-20.91,;39.14,-20.13,;38.37,-18.79,;39.91,-18.78,;37.81,-20.9,;36.48,-20.12,;35.15,-20.9,;35.15,-22.44,;36.48,-23.2,;37.81,-22.44,;33.82,-23.21,;32.48,-22.45,;32.48,-20.91,;31.15,-23.22,;30.99,-24.75,;29.49,-25.07,;28.71,-23.74,;29.74,-22.59,;28.87,-26.48,;27.62,-27.39,;29.03,-28.01,;41.82,-18.61,;43.16,-17.85,;48.46,-20.95,;48.45,-22.48,)|
Cc1ccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)nc1 |r,wU:7.6,wD:10.10,(72.1,-54.13,;72.11,-52.6,;70.79,-51.82,;70.8,-50.29,;72.14,-49.54,;72.15,-48.01,;70.83,-47.23,;69.49,-47.99,;69.48,-49.53,;68.15,-50.29,;66.81,-49.5,;65.47,-50.27,;64.14,-49.49,;63.36,-48.15,;64.91,-48.14,;62.8,-50.26,;61.47,-49.48,;60.15,-50.26,;60.15,-51.8,;61.47,-52.56,;62.8,-51.8,;58.82,-52.57,;57.48,-51.81,;57.48,-50.27,;56.15,-52.58,;55.99,-54.11,;54.49,-54.43,;53.71,-53.1,;54.74,-51.96,;53.87,-55.84,;52.62,-56.75,;54.03,-57.37,;66.82,-47.97,;68.16,-47.21,;73.46,-50.31,;73.45,-51.84,)|
Cc1ccc(C[C@@H](CN)C(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)cc1O |r|
Cc1ccc(C[C@H](CN)C(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)cc1O |r|
Cc1ccc(cn1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:10.10,wD:13.17,(8.67,2.69,;7.34,1.93,;7.34,.38,;6,-.38,;4.67,.38,;4.67,1.93,;6,2.69,;3.33,-.38,;3.33,-1.93,;2,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,-2.69,;-7.34,-1.92,;-8.67,-2.69,)|
Cc1ccc(cn1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.39,;-2,-.38,;-2,-1.93,;-3.33,-2.7,;-.67,.39,;-.67,1.93,;.67,-.38,;2,.39,;2,1.93,;3.33,2.7,;4.67,1.93,;6,2.7,;4.67,.39,;3.33,-.38,)|
Cc1ccc(nc1)S(=O)(=O)N1C2CCC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:17.18.16:14.12.13|
Cc1cccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)c1 |r,wU:8.7,wD:11.11,(74.61,-23.58,;73.29,-22.81,;71.95,-23.57,;70.62,-22.79,;70.64,-21.25,;71.98,-20.51,;71.99,-18.98,;70.67,-18.2,;69.33,-18.95,;69.32,-20.5,;67.98,-21.26,;66.65,-20.47,;65.31,-21.24,;63.97,-20.46,;63.2,-19.12,;64.75,-19.11,;62.64,-21.23,;61.31,-20.45,;59.99,-21.23,;59.99,-22.77,;61.31,-23.53,;62.64,-22.77,;58.65,-23.54,;57.31,-22.78,;57.31,-21.24,;55.98,-23.54,;55.83,-25.08,;54.32,-25.4,;53.55,-24.07,;54.58,-22.92,;53.7,-26.81,;52.46,-27.72,;53.87,-28.34,;66.65,-18.94,;68,-18.18,;73.29,-21.28,)|
Cc1cccc(Cn2nc(cc2C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)CCN)C(C)(C)C)c1 |r,wU:15.15,wD:18.22,(9.14,-5.21,;8.74,-3.72,;9.83,-2.63,;9.43,-1.15,;7.95,-.75,;6.86,-1.84,;5.37,-1.44,;4.97,.05,;5.88,1.3,;4.97,2.54,;3.51,2.07,;3.51,.53,;2.17,-.24,;2.17,-1.78,;.84,.53,;-.5,-.24,;-.5,-1.78,;-1.83,-2.55,;-3.16,-1.78,;-3.16,-.24,;-1.83,.53,;-4.5,-2.55,;-5.83,-1.78,;-5.83,-.24,;-7.16,-2.55,;-8.5,-1.78,;-9.83,-2.55,;5.74,3.88,;7.28,3.88,;4.97,5.21,;6.51,5.21,;7.25,-3.32,)|
Cc1cccc(Cn2nc(cc2C(=O)N[C@H]2CC[C@H](N)CC2)C(C)(C)C)c1 |r,wU:15.15,wD:18.19,(3.26,5.99,;1.93,5.22,;.59,5.99,;-.74,5.22,;-.74,3.68,;.59,2.91,;.59,1.37,;-.74,.6,;-2.21,1.07,;-3.11,-.17,;-2.21,-1.42,;-.74,-.94,;.35,-2.03,;-.05,-3.52,;1.84,-1.63,;2.92,-2.72,;4.41,-2.32,;5.5,-3.41,;5.1,-4.9,;6.19,-5.99,;3.61,-5.3,;2.53,-4.21,;-4.65,-.17,;-5.42,-1.51,;-5.42,1.16,;-6.19,-.17,;1.93,3.68,)|
Cc1cccc2cc([nH]c12)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:13.14,wD:16.21,(-7.73,2.31,;-7.73,.77,;-9.06,,;-9.06,-1.54,;-7.73,-2.31,;-6.4,-1.54,;-4.93,-2.02,;-4.03,-.77,;-4.93,.48,;-6.4,,;-2.49,-.77,;-1.72,-2.1,;-1.72,.56,;-.18,.56,;.59,1.9,;2.13,1.9,;2.9,.56,;2.13,-.77,;.59,-.77,;4.44,.56,;5.21,-.77,;4.44,-2.1,;6.75,-.77,;7.52,-2.1,;9.06,-2.1,)|
Cc1cccc2cc([nH]c12)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:13.14,wD:16.18,(-5.42,2.31,;-5.42,.77,;-6.75,,;-6.75,-1.54,;-5.42,-2.31,;-4.09,-1.54,;-2.62,-2.02,;-1.72,-.77,;-2.62,.48,;-4.09,,;-.18,-.77,;.59,-2.1,;.59,.56,;2.13,.56,;2.9,1.9,;4.44,1.9,;5.21,.56,;6.75,.56,;4.44,-.77,;2.9,-.77,)|
Cc1ccccc1CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:9.9,wD:12.13,(23,-35.39,;21.67,-36.15,;21.66,-37.68,;20.32,-38.44,;19,-37.66,;19.01,-36.13,;20.35,-35.38,;20.36,-33.85,;19.04,-33.07,;17.7,-33.83,;17.69,-35.37,;16.35,-36.13,;15.02,-35.34,;13.68,-36.11,;12.34,-35.33,;11.57,-33.99,;13.12,-33.98,;11.01,-36.1,;9.68,-35.32,;8.36,-36.1,;8.36,-37.64,;9.68,-38.4,;11.01,-37.64,;7.02,-38.41,;5.68,-37.65,;5.68,-36.11,;4.35,-38.42,;4.2,-39.95,;2.69,-40.27,;1.92,-38.94,;2.95,-37.8,;2.07,-41.68,;.83,-42.59,;2.24,-43.21,;15.02,-33.81,;16.37,-33.05,)|
Cc1ccncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:10.10,wD:13.17,(4,2.69,;5.33,1.93,;6.67,2.69,;8,1.93,;8,.38,;6.67,-.38,;5.33,.38,;4,-.38,;4,-1.93,;2.67,.38,;1.33,-.38,;1.33,-1.93,;,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-5.33,-2.69,;-6.67,-1.92,;-8,-2.69,)|
Cc1ccncc1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(-1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-1.33,.38,;-1.33,1.93,;,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;4,.38,;2.67,-.38,)|
Cc1cnc(cn1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:10.10,wD:13.17,(8.67,2.69,;7.34,1.93,;7.34,.38,;6,-.38,;4.67,.38,;4.67,1.93,;6,2.69,;3.33,-.38,;3.33,-1.93,;2,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,-2.69,;-7.34,-1.93,;-8.67,-2.69,)|
Cc1cnc(cn1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-.67,.38,;-.67,1.93,;.67,-.38,;2,.38,;2,1.93,;3.33,2.69,;4.67,1.93,;6,2.69,;4.67,.38,;3.33,-.38,)|
Cc1cnc(s1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:9.9,wD:12.16,(8.62,1.3,;7.08,1.3,;6.18,2.55,;4.71,2.07,;4.71,.53,;6.18,.06,;3.38,-.24,;3.38,-1.78,;2.05,.53,;.71,-.24,;.71,-1.78,;-.62,-2.55,;-1.95,-1.78,;-1.95,-.24,;-.62,.53,;-3.29,-2.55,;-4.62,-1.78,;-4.62,-.24,;-5.96,-2.55,;-7.29,-1.78,;-8.62,-2.55,)|
Cc1cnc(s1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:9.9,wD:12.13,(5.96,1.3,;4.42,1.3,;3.51,2.55,;2.05,2.07,;2.05,.53,;3.51,.06,;.71,-.24,;.71,-1.78,;-.62,.53,;-1.95,-.24,;-1.95,-1.78,;-3.29,-2.55,;-4.62,-1.78,;-5.96,-2.55,;-4.62,-.24,;-3.29,.53,)|
Cc1cncc(c1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:10.10,wD:13.17,(8.67,-.38,;7.34,.39,;7.34,1.93,;6,2.69,;4.67,1.93,;4.67,.39,;6,-.38,;3.33,-.38,;3.33,-1.92,;2,.39,;.67,-.38,;.67,-1.92,;-.67,-2.69,;-2,-1.92,;-2,-.38,;-.67,.39,;-3.33,-2.69,;-4.67,-1.92,;-4.67,-.38,;-6,-2.69,;-7.34,-1.92,;-8.67,-2.69,)|
Cc1cncc(c1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(-6,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-.67,.38,;-.67,1.93,;.67,-.38,;2,.38,;2,1.93,;3.33,2.69,;4.67,1.93,;6,2.69,;4.67,.38,;3.33,-.38,)|
Cc1cnccc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:10.10,wD:13.17,(4,2.69,;5.33,1.93,;6.67,2.69,;8,1.93,;8,.38,;6.67,-.38,;5.33,.38,;4,-.38,;4,-1.93,;2.67,.38,;1.33,-.38,;1.33,-1.93,;,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-5.33,-2.69,;-6.67,-1.92,;-8,-2.69,)|
Cc1cnccc1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(-1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-1.33,.38,;-1.33,1.93,;,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;4,.38,;2.67,-.38,)|
Cc1n[nH]c(C)c1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:10.10,wD:13.17,(4.15,2.69,;5.48,1.93,;6.95,2.4,;7.85,1.15,;6.95,-.09,;7.72,-1.42,;5.48,.38,;4.15,-.38,;4.15,-1.93,;2.82,.38,;1.48,-.38,;1.48,-1.93,;.15,-2.69,;-1.18,-1.93,;-1.18,-.38,;.15,.38,;-2.52,-2.69,;-3.85,-1.93,;-3.85,-.38,;-5.19,-2.69,;-6.52,-1.93,;-7.85,-2.69,)|
Cc1n[nH]c(C)c1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(1.48,2.69,;2.82,1.93,;4.28,2.4,;5.19,1.15,;4.28,-.09,;5.05,-1.42,;2.82,.38,;1.48,-.38,;1.48,-1.93,;.15,.38,;-1.18,-.38,;-1.18,-1.93,;-2.52,-2.69,;-3.85,-1.93,;-5.19,-2.69,;-3.85,-.38,;-2.52,.38,)|
Cc1nc(n[nH]1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:9.9,wD:12.13,(5.96,1.3,;4.42,1.3,;3.51,.06,;2.05,.53,;2.05,2.07,;3.51,2.55,;.71,-.24,;.71,-1.78,;-.62,.53,;-1.95,-.24,;-1.95,-1.78,;-3.29,-2.55,;-4.62,-1.78,;-5.96,-2.55,;-4.62,-.24,;-3.29,.53,)|
Cc1nc(no1)-c1ccc(cc1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:15.16,wD:18.23,(10.62,2.46,;9.08,2.46,;8.18,1.21,;6.71,1.69,;6.71,3.23,;8.18,3.7,;5.38,.92,;5.38,-.62,;4.05,-1.39,;2.71,-.62,;2.71,.92,;4.05,1.69,;1.38,-1.39,;1.38,-2.93,;.05,-.62,;-1.29,-1.39,;-1.29,-2.93,;-2.62,-3.7,;-3.96,-2.93,;-3.96,-1.39,;-2.62,-.62,;-5.29,-3.7,;-6.62,-2.93,;-6.62,-1.39,;-7.96,-3.7,;-9.29,-2.93,;-10.62,-3.7,)|
Cc1nc(no1)-c1ccc(cc1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:15.16,wD:18.20,(-7.96,-2.46,;-6.42,-2.46,;-5.51,-1.21,;-4.05,-1.69,;-4.05,-3.23,;-5.51,-3.7,;-2.71,-.92,;-1.38,-1.69,;-.05,-.92,;-.05,.62,;-1.38,1.39,;-2.71,.62,;1.29,1.39,;1.29,2.93,;2.62,.62,;3.96,1.39,;3.96,2.93,;5.29,3.7,;6.62,2.93,;7.96,3.7,;6.62,1.39,;5.29,.62,)|
Cc1nc2ccccc2c(C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)CCN)c1N |r,wU:13.13,wD:16.20,(1.33,-6.93,;,-6.16,;-1.33,-6.93,;-2.67,-6.16,;-4,-6.93,;-5.33,-6.16,;-5.33,-4.62,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;-2.67,-1.54,;,-1.54,;;-1.33,.77,;-1.33,2.31,;,3.08,;1.33,2.31,;1.33,.77,;,4.62,;1.33,5.39,;1.33,6.93,;2.67,4.62,;4,5.39,;5.33,4.62,;,-4.62,;1.33,-3.85,)|
Cc1nc2ccccc2c(C(=O)N[C@H]2CC[C@H](N)CC2)c1N |r,wU:13.13,wD:16.17,(3.33,-5.78,;2,-5,;.67,-5.77,;-.67,-5,;-2,-5.77,;-3.33,-5,;-3.33,-3.46,;-2,-2.69,;-.67,-3.46,;.67,-2.69,;.67,-1.15,;-.67,-.38,;2,-.38,;2,1.16,;.67,1.93,;.67,3.47,;2,4.24,;2,5.78,;3.33,3.47,;3.33,1.93,;2,-3.46,;3.33,-2.69,)|
Cc1ncc([nH]1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:9.9,wD:12.13,(5.96,1.3,;4.42,1.3,;3.51,2.55,;2.05,2.07,;2.05,.53,;3.51,.06,;.71,-.24,;.71,-1.78,;-.62,.53,;-1.95,-.24,;-1.95,-1.78,;-3.29,-2.55,;-4.62,-1.78,;-5.96,-2.55,;-4.62,-.24,;-3.29,.53,)|
Cc1ncc(cn1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:10.10,wD:13.17,(8.67,2.69,;7.34,1.93,;7.34,.38,;6,-.38,;4.67,.38,;4.67,1.93,;6,2.69,;3.33,-.38,;3.33,-1.93,;2,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,-2.69,;-7.34,-1.93,;-8.67,-2.69,)|
Cc1ncc(cn1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(-6,-2.69,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-.67,.38,;-.67,1.93,;.67,-.38,;2,.38,;2,1.93,;3.33,2.69,;4.67,1.93,;6,2.69,;4.67,.38,;3.33,-.38,)|
Cc1nnc([nH]1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:9.9,wD:12.16,(8.62,1.3,;7.08,1.3,;6.18,2.55,;4.71,2.07,;4.71,.53,;6.18,.06,;3.38,-.24,;3.38,-1.78,;2.05,.53,;.71,-.24,;.71,-1.78,;-.62,-2.55,;-1.95,-1.78,;-1.95,-.24,;-.62,.53,;-3.29,-2.55,;-4.62,-1.78,;-4.62,-.24,;-5.96,-2.55,;-7.29,-1.78,;-8.62,-2.55,)|
Cc1nscc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:9.9,wD:12.16,(4.15,2.69,;5.48,1.93,;6.95,2.4,;7.85,1.15,;6.95,-.09,;5.48,.38,;4.15,-.38,;4.15,-1.93,;2.82,.38,;1.48,-.38,;1.48,-1.93,;.15,-2.69,;-1.18,-1.93,;-1.18,-.38,;.15,.38,;-2.52,-2.69,;-3.85,-1.93,;-3.85,-.38,;-5.19,-2.69,;-6.52,-1.92,;-7.85,-2.69,)|
Cc1nscc1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:9.9,wD:12.13,(1.48,2.69,;2.82,1.93,;4.28,2.4,;5.19,1.15,;4.28,-.09,;2.82,.38,;1.48,-.38,;1.48,-1.93,;.15,.38,;-1.18,-.38,;-1.18,-1.93,;-2.52,-2.69,;-3.85,-1.93,;-5.19,-2.69,;-3.85,-.38,;-2.52,.38,)|
ClCC(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCCNC1 |r,TLB:22:21:15.14.20:18.17|
Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1 |r,TLB:22:21:15.14.20:18.17|
Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCN1CCCC1 |r,TLB:22:21:15.14.20:18.17|
Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1 |r,TLB:22:21:15.14.20:18.17|
Clc1cc2NC(=O)Cc2cc1S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:11:14:21.20.19:17.16|
Clc1cc2NC(=O)Cc2cc1S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:11:14:21.20.19:17.16|
Clc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:11:14:20.19.21:17.16|
Clc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:11:14:20.19.21:17.16|
Clc1ccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)cc1 |r,wU:7.6,wD:10.10,(47.16,-8.85,;47.17,-7.32,;45.85,-6.53,;45.87,-5,;47.2,-4.26,;47.22,-2.73,;45.9,-1.95,;44.56,-2.7,;44.54,-4.24,;43.21,-5.01,;41.88,-4.22,;40.54,-4.99,;39.2,-4.2,;38.43,-2.87,;39.97,-2.86,;37.87,-4.98,;36.53,-4.2,;35.21,-4.98,;35.21,-6.52,;36.53,-7.28,;37.87,-6.52,;33.88,-7.29,;32.54,-6.52,;32.54,-4.98,;31.21,-7.29,;31.05,-8.83,;29.55,-9.15,;28.77,-7.82,;29.8,-6.67,;28.93,-10.56,;27.68,-11.47,;29.09,-12.09,;41.88,-2.68,;43.22,-1.93,;48.52,-5.02,;48.51,-6.55,)|
Clc1ccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)nc1 |r,wU:7.6,wD:10.10,(46.62,-55.46,;46.63,-53.93,;45.31,-53.15,;45.33,-51.62,;46.66,-50.87,;46.68,-49.34,;45.36,-48.56,;44.02,-49.32,;44,-50.86,;42.67,-51.62,;41.34,-50.83,;40,-51.6,;38.66,-50.82,;37.89,-49.48,;39.44,-49.47,;37.33,-51.59,;36,-50.81,;34.68,-51.59,;34.68,-53.13,;36,-53.89,;37.33,-53.13,;33.34,-53.9,;32.01,-53.14,;32,-51.6,;30.67,-53.91,;30.52,-55.44,;29.01,-55.76,;28.24,-54.43,;29.27,-53.28,;28.4,-57.17,;27.15,-58.08,;28.56,-58.7,;41.34,-49.3,;42.69,-48.54,;47.98,-51.64,;47.97,-53.17,)|
Clc1ccc(nc1)S(=O)(=O)N1C2CCC[C@@H]1CC(C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:17.18.16:14.12.13|
Clc1cccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)c1 |r,wU:8.7,wD:11.11,(74.09,-7.16,;72.77,-6.38,;71.43,-7.14,;70.11,-6.36,;70.12,-4.83,;71.46,-4.09,;71.47,-2.56,;70.15,-1.78,;68.81,-2.53,;68.8,-4.07,;67.46,-4.84,;66.13,-4.05,;64.79,-4.82,;63.45,-4.03,;62.68,-2.69,;64.23,-2.69,;62.12,-4.81,;60.79,-4.03,;59.47,-4.81,;59.47,-6.35,;60.79,-7.11,;62.12,-6.35,;58.13,-7.12,;56.79,-6.35,;56.79,-4.81,;55.46,-7.12,;55.31,-8.66,;53.8,-8.98,;53.03,-7.65,;54.06,-6.5,;53.18,-10.39,;51.94,-11.3,;53.35,-11.92,;66.13,-2.51,;67.48,-1.76,;72.78,-4.85,)|
Clc1ccccc1CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:9.9,wD:12.13,(22.94,-20.75,;21.61,-21.51,;21.6,-23.04,;20.26,-23.8,;18.94,-23.02,;18.96,-21.49,;20.29,-20.75,;20.31,-19.21,;18.99,-18.43,;17.65,-19.19,;17.63,-20.73,;16.3,-21.49,;14.97,-20.7,;13.63,-21.47,;12.29,-20.69,;11.52,-19.35,;13.06,-19.35,;10.96,-21.47,;9.62,-20.68,;8.3,-21.47,;8.3,-23.01,;9.62,-23.77,;10.96,-23.01,;6.97,-23.78,;5.63,-23.01,;5.63,-21.47,;4.3,-23.78,;4.14,-25.31,;2.64,-25.63,;1.86,-24.31,;2.89,-23.16,;2.02,-27.04,;.77,-27.95,;2.18,-28.58,;14.97,-19.17,;16.31,-18.41,)|
Cn1c(cc2ccccc12)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:13.14,wD:16.21,(-4.16,2.02,;-4.93,.68,;-4.03,-.56,;-4.93,-1.81,;-6.4,-1.33,;-7.73,-2.1,;-9.06,-1.33,;-9.06,.21,;-7.73,.98,;-6.4,.21,;-2.49,-.56,;-1.72,-1.9,;-1.72,.77,;-.18,.77,;.59,2.1,;2.13,2.1,;2.9,.77,;2.13,-.56,;.59,-.56,;4.44,.77,;5.21,-.56,;4.44,-1.9,;6.75,-.56,;7.52,-1.9,;9.06,-1.9,)|
Cn1c(cc2ccccc12)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:13.14,wD:16.18,(-1.85,2.02,;-2.62,.68,;-1.72,-.56,;-2.62,-1.81,;-4.09,-1.33,;-5.42,-2.1,;-6.75,-1.33,;-6.75,.21,;-5.42,.98,;-4.09,.21,;-.18,-.56,;.59,-1.9,;.59,.77,;2.13,.77,;2.9,2.1,;4.44,2.1,;5.21,.77,;6.75,.77,;4.44,-.56,;2.9,-.56,)|
Cn1ccc(n1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:9.9,wD:12.16,(8.62,1.3,;7.08,1.3,;6.18,2.55,;4.71,2.07,;4.71,.53,;6.18,.06,;3.38,-.24,;3.38,-1.78,;2.05,.53,;.71,-.24,;.71,-1.78,;-.62,-2.55,;-1.95,-1.78,;-1.95,-.24,;-.62,.53,;-3.29,-2.55,;-4.62,-1.78,;-4.62,-.24,;-5.96,-2.55,;-7.29,-1.78,;-8.62,-2.55,)|
Cn1ccc(n1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:9.9,wD:12.13,(5.96,1.3,;4.42,1.3,;3.51,2.55,;2.05,2.07,;2.05,.53,;3.51,.06,;.71,-.24,;.71,-1.78,;-.62,.53,;-1.95,-.24,;-1.95,-1.78,;-3.29,-2.55,;-4.62,-1.78,;-5.96,-2.55,;-4.62,-.24,;-3.29,.53,)|
Cn1ccnc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:9.9,wD:12.16,(4.15,2.69,;5.48,1.93,;6.95,2.4,;7.85,1.15,;6.95,-.09,;5.48,.38,;4.15,-.38,;4.15,-1.93,;2.82,.38,;1.48,-.38,;1.48,-1.93,;.15,-2.69,;-1.18,-1.93,;-1.18,-.38,;.15,.38,;-2.52,-2.69,;-3.85,-1.93,;-3.85,-.38,;-5.19,-2.69,;-6.52,-1.93,;-7.85,-2.69,)|
Cn1ccnc1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:9.9,wD:12.13,(1.48,2.69,;2.82,1.93,;4.28,2.4,;5.19,1.15,;4.28,-.09,;2.82,.38,;1.48,-.38,;1.48,-1.93,;.15,.38,;-1.18,-.38,;-1.18,-1.93,;-2.52,-2.69,;-3.85,-1.93,;-5.19,-2.69,;-3.85,-.38,;-2.52,.38,)|
Cn1cnc(n1)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:9.9,wD:12.13,(5.96,1.3,;4.42,1.3,;3.51,2.55,;2.05,2.07,;2.05,.53,;3.51,.06,;.71,-.24,;.71,-1.78,;-.62,.53,;-1.95,-.24,;-1.95,-1.78,;-3.29,-2.55,;-4.62,-1.78,;-5.96,-2.55,;-4.62,-.24,;-3.29,.53,)|
Cn1nc(N)cc1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(.71,2.69,;2.05,1.93,;3.51,2.4,;4.42,1.15,;5.96,1.15,;3.51,-.09,;2.05,.38,;.71,-.38,;.71,-1.93,;-.62,.38,;-1.95,-.38,;-1.95,-1.93,;-3.29,-2.69,;-4.62,-1.93,;-5.96,-2.69,;-4.62,-.38,;-3.29,.38,)|
Cn1nc(O)cc1C(=O)NC1CCNCC1
Cn1nc(O)cc1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:10.10,wD:13.14,(.71,2.69,;2.05,1.93,;3.51,2.4,;4.42,1.15,;5.96,1.16,;3.51,-.09,;2.05,.38,;.71,-.38,;.71,-1.93,;-.62,.38,;-1.95,-.38,;-1.95,-1.93,;-3.29,-2.69,;-4.62,-1.93,;-5.96,-2.69,;-4.62,-.38,;-3.29,.38,)|
Cn1nc(cc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN)C(C)(C)C |r,wU:9.9,wD:12.16,(2.61,2.69,;3.94,1.93,;5.41,2.4,;6.31,1.15,;5.41,-.09,;3.94,.38,;2.61,-.38,;2.61,-1.93,;1.28,.38,;-.06,-.38,;-.06,-1.93,;-1.39,-2.69,;-2.72,-1.93,;-2.72,-.38,;-1.39,.38,;-4.06,-2.69,;-5.39,-1.93,;-5.39,-.38,;-6.73,-2.69,;-8.06,-1.93,;-9.39,-2.69,;7.85,1.16,;8.62,-.18,;8.62,2.49,;9.39,1.16,)|
Cn1nc(cc1C(=O)N[C@H]1CC[C@H](N)CC1)C(C)(C)C |r,wU:9.9,wD:12.13,(-.06,2.69,;1.28,1.93,;2.74,2.4,;3.65,1.15,;2.74,-.09,;1.28,.38,;-.06,-.38,;-.06,-1.93,;-1.39,.38,;-2.72,-.38,;-2.72,-1.93,;-4.06,-2.69,;-5.39,-1.93,;-6.73,-2.69,;-5.39,-.38,;-4.06,.38,;5.19,1.16,;5.96,-.18,;5.96,2.49,;6.73,1.16,)|
Cn1nc(cc1C(=O)Nc1ccc(CN)cc1)C(F)(F)F
Cn1ncc2ccc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:13.14,wD:16.21,(9.05,1.42,;8.28,.09,;9.19,-1.15,;8.28,-2.4,;6.82,-1.93,;5.48,-2.69,;4.15,-1.93,;4.15,-.38,;5.48,.38,;6.82,-.38,;2.82,.38,;2.82,1.93,;1.48,-.38,;.15,.38,;-1.18,-.38,;-2.52,.38,;-2.52,1.93,;-1.18,2.69,;.15,1.93,;-3.85,2.69,;-5.19,1.93,;-5.19,.38,;-6.52,2.69,;-7.85,1.93,;-9.19,2.69,)|
Cn1ncc2ccc(cc12)C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:13.14,wD:16.18,(6.38,1.42,;5.61,.09,;6.52,-1.15,;5.61,-2.4,;4.15,-1.93,;2.82,-2.69,;1.48,-1.93,;1.48,-.38,;2.82,.38,;4.15,-.38,;.15,.38,;.15,1.93,;-1.18,-.38,;-2.52,.38,;-3.85,-.38,;-5.19,.38,;-5.19,1.93,;-6.52,2.69,;-3.85,2.69,;-2.52,1.93,)|
Cn1nccc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN |r,wU:9.9,wD:12.16,(4.15,2.69,;5.48,1.93,;6.95,2.4,;7.85,1.15,;6.95,-.09,;5.48,.38,;4.15,-.38,;4.15,-1.93,;2.82,.38,;1.48,-.38,;1.48,-1.93,;.15,-2.69,;-1.18,-1.93,;-1.18,-.38,;.15,.38,;-2.52,-2.69,;-3.85,-1.93,;-3.85,-.38,;-5.19,-2.69,;-6.52,-1.93,;-7.85,-2.69,)|
Cn1nccc1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:9.9,wD:12.13,(1.48,2.69,;2.82,1.93,;4.28,2.4,;5.19,1.15,;4.28,-.09,;2.82,.38,;1.48,-.38,;1.48,-1.93,;.15,.38,;-1.18,-.38,;-1.18,-1.93,;-2.52,-2.69,;-3.85,-1.93,;-5.19,-2.69,;-3.85,-.38,;-2.52,.38,)|
Cn1ncnc1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:9.9,wD:12.13,(1.48,2.69,;2.82,1.93,;4.28,2.4,;5.19,1.15,;4.28,-.09,;2.82,.38,;1.48,-.38,;1.48,-1.93,;.15,.38,;-1.18,-.38,;-1.18,-1.93,;-2.52,-2.69,;-3.85,-1.93,;-5.19,-2.69,;-3.85,-.38,;-2.52,.38,)|
FC(F)(F)CCCN1C2CCC1CN(C2)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:6:7:9.10:12.13.14,15:18:21.20:25.24.23|
FC(F)(F)CCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:12:15:22.21.20:18.17|
FC(F)(F)CCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1 |r,TLB:12:15:18.17:22.21.20|
FC(F)(F)CCCNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:14:17:24.23.22:20.19|
FC(F)(F)CCCN[C@H]1CC[C@@H](CC1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:11.14,wD:8.7,(25.04,-22.84,;23.7,-23.6,;23.69,-25.14,;25.02,-24.36,;22.37,-22.82,;21.03,-23.58,;19.7,-22.8,;18.36,-23.56,;17.04,-22.78,;17.06,-21.23,;15.72,-20.44,;14.38,-21.21,;14.36,-22.76,;15.7,-23.54,;13.04,-20.42,;12.27,-19.09,;13.82,-19.08,;11.71,-21.2,;10.38,-20.42,;9.06,-21.2,;9.06,-22.74,;10.38,-23.5,;11.71,-22.74,;7.73,-23.51,;6.39,-22.75,;6.39,-21.21,;5.06,-23.51,;4.91,-25.04,;3.4,-25.36,;2.62,-24.04,;3.65,-22.89,;2.78,-26.77,;1.54,-27.68,;2.95,-28.3,)|
FC(F)(F)CCCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:8.7,wD:11.11,(68.22,-17.58,;66.9,-16.8,;66.91,-15.26,;68.21,-16.02,;65.56,-17.55,;64.24,-16.77,;62.91,-17.52,;61.59,-16.74,;60.24,-17.5,;60.23,-19.04,;58.9,-19.8,;57.56,-19.01,;56.23,-19.78,;54.89,-19,;54.11,-17.66,;55.66,-17.66,;53.56,-19.78,;52.22,-18.99,;50.9,-19.78,;50.9,-21.32,;52.22,-22.07,;53.56,-21.32,;49.57,-22.08,;48.23,-21.32,;48.23,-19.78,;46.9,-22.09,;46.74,-23.62,;45.24,-23.94,;44.46,-22.62,;45.49,-21.47,;44.62,-25.35,;43.37,-26.26,;44.78,-26.88,;57.57,-17.48,;58.91,-16.72,)|
FC(F)(F)CCN1C2CCC1CN(C2)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:5:6:8.9:11.12.13,14:17:20.19:24.23.22|
FC(F)(F)CCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:11:14:21.20.19:17.16|
FC(F)(F)CCNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:13:16:19.18:23.22.21|
FC(F)(F)CCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:7.6,wD:10.10,(31.62,-17.73,;30.29,-18.48,;30.27,-20.02,;31.61,-19.25,;28.97,-17.7,;27.63,-18.46,;26.31,-17.68,;24.97,-18.43,;24.96,-19.97,;23.63,-20.74,;22.29,-19.95,;20.96,-20.72,;19.62,-19.94,;18.84,-18.6,;20.39,-18.59,;18.28,-20.71,;16.95,-19.93,;15.63,-20.71,;15.63,-22.25,;16.95,-23.01,;18.28,-22.25,;14.3,-23.02,;12.96,-22.25,;12.96,-20.71,;11.63,-23.02,;11.47,-24.56,;9.97,-24.88,;9.19,-23.55,;10.22,-22.4,;9.35,-26.29,;8.1,-27.2,;9.51,-27.82,;22.3,-18.42,;23.64,-17.66,)|
FC(F)(F)c1ccc(CNC2CCN(CC2)S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)cc1 |r,TLB:16:19:22.21:26.25.24|
FC1(F)CN(CCC1NC(=O)c1cc(on1)C1CC1)C(=O)CC1CCNCC1
FC1(F)Oc2ccc(cc2O1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1 |r,TLB:22:21:15.14.20:18.17|
FC1(F)Oc2ccc(cc2O1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@H]1CC[C@@H](CC1)NCc1ccccc1 |r,wU:19.23,16.24,25.28,wD:14.15,28.35,TLB:22:21:15.14.20:18.17,(12.54,4.47,;11.21,3.7,;12.54,2.93,;10.3,4.95,;8.84,4.47,;7.5,5.24,;6.17,4.47,;6.17,2.93,;7.5,2.16,;8.84,2.93,;10.3,2.46,;4.84,2.16,;4.84,.62,;3.5,2.93,;2.17,2.16,;2.17,.62,;.96,-.34,;-.54,.01,;-1.21,1.39,;-.54,2.78,;.96,3.12,;-.54,.92,;-1.87,.15,;-2.64,1.48,;-1.1,-1.19,;-3.2,-.62,;-3.2,-2.16,;-4.54,-2.93,;-5.87,-2.16,;-5.87,-.62,;-4.54,.15,;-7.21,-2.93,;-8.54,-2.16,;-9.87,-2.93,;-11.21,-2.16,;-12.54,-2.93,;-12.54,-4.47,;-11.21,-5.24,;-9.87,-4.47,)|
Fc1ccc(CN2CCC(CS(=O)(=O)N3[C@H]4CC[C@@H]3C[C@@H](C4)NC(=O)c3cc(on3)C3CC3)CC2)cc1 |r,TLB:11:14:17.16:21.20.19|
Fc1ccc(CNC2CCN(CC2)S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)cc1 |r,TLB:13:16:19.18:23.22.21|
Fc1ccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)cc1 |r,wU:7.6,wD:10.10,(45.32,-53.87,;45.34,-52.34,;44.01,-51.55,;44.03,-50.02,;45.37,-49.28,;45.38,-47.75,;44.06,-46.97,;42.72,-47.72,;42.71,-49.26,;41.37,-50.03,;40.04,-49.24,;38.7,-50.01,;37.36,-49.23,;36.59,-47.89,;38.14,-47.88,;36.03,-50,;34.7,-49.22,;33.37,-50,;33.37,-51.54,;34.7,-52.3,;36.03,-51.54,;32.04,-52.31,;30.7,-51.54,;30.7,-50,;29.37,-52.31,;29.22,-53.85,;27.71,-54.17,;26.93,-52.84,;27.97,-51.69,;27.09,-55.58,;25.85,-56.49,;27.26,-57.11,;40.04,-47.71,;41.39,-46.95,;46.68,-50.05,;46.67,-51.57,)|
Fc1ccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)nc1 |r,wU:7.6,wD:10.10,(20.89,-9.64,;20.9,-8.1,;19.58,-7.32,;19.59,-5.79,;20.93,-5.05,;20.94,-3.51,;19.62,-2.73,;18.28,-3.49,;18.27,-5.03,;16.94,-5.79,;15.6,-5.01,;14.27,-5.78,;12.93,-4.99,;12.15,-3.65,;13.7,-3.65,;11.6,-5.77,;10.26,-4.99,;8.94,-5.77,;8.94,-7.31,;10.26,-8.07,;11.6,-7.31,;7.61,-8.08,;6.27,-7.31,;6.27,-5.77,;4.94,-8.08,;4.79,-9.61,;3.28,-9.93,;2.5,-8.61,;3.53,-7.46,;2.66,-11.34,;1.41,-12.25,;2.82,-12.88,;15.61,-3.47,;16.95,-2.72,;22.25,-5.81,;22.24,-7.34,)|
Fc1cccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)c1 |r,wU:8.7,wD:11.11,(73.92,-51.69,;72.6,-50.91,;71.26,-51.67,;69.93,-50.89,;69.95,-49.36,;71.29,-48.62,;71.3,-47.08,;69.98,-46.3,;68.64,-47.06,;68.63,-48.6,;67.29,-49.36,;65.96,-48.57,;64.62,-49.34,;63.28,-48.56,;62.51,-47.22,;64.06,-47.22,;61.95,-49.34,;60.62,-48.55,;59.29,-49.34,;59.29,-50.88,;60.62,-51.64,;61.95,-50.88,;57.96,-51.65,;56.62,-50.88,;56.62,-49.34,;55.29,-51.65,;55.14,-53.18,;53.63,-53.5,;52.85,-52.18,;53.89,-51.03,;53.01,-54.91,;51.77,-55.82,;53.18,-56.45,;65.96,-47.04,;67.31,-46.28,;72.61,-49.38,)|
Fc1cccc(F)c1CNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:16:19:22.21:26.25.24|
Fc1ccccc1CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:9.9,wD:12.13,(23.18,-4.43,;21.85,-5.19,;21.84,-6.72,;20.5,-7.48,;19.18,-6.7,;19.2,-5.16,;20.53,-4.42,;20.55,-2.89,;19.23,-2.11,;17.89,-2.86,;17.87,-4.41,;16.54,-5.17,;15.2,-4.38,;13.87,-5.15,;12.53,-4.37,;11.75,-3.03,;13.3,-3.02,;11.2,-5.14,;9.86,-4.36,;8.54,-5.14,;8.54,-6.68,;9.86,-7.44,;11.2,-6.68,;7.21,-7.45,;5.87,-6.69,;5.87,-5.15,;4.54,-7.46,;4.38,-8.99,;2.88,-9.31,;2.1,-7.98,;3.13,-6.83,;2.26,-10.72,;1.01,-11.63,;2.42,-12.25,;15.21,-2.85,;16.55,-2.09,)|
Fc1ccnc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)c1 |r,wU:8.7,wD:11.11,(68.65,-7.73,;69.98,-6.98,;71.3,-7.76,;72.64,-7,;72.65,-5.47,;71.33,-4.71,;71.35,-3.17,;70.03,-2.39,;68.69,-3.15,;68.68,-4.69,;67.34,-5.45,;66.01,-4.67,;64.67,-5.44,;63.33,-4.65,;62.56,-3.31,;64.11,-3.31,;62,-5.43,;60.67,-4.65,;59.35,-5.43,;59.35,-6.97,;60.67,-7.73,;62,-6.97,;58.01,-7.74,;56.68,-6.97,;56.67,-5.43,;55.34,-7.74,;55.19,-9.27,;53.68,-9.59,;52.91,-8.27,;53.94,-7.12,;53.06,-11,;51.82,-11.91,;53.23,-12.54,;66.01,-3.13,;67.36,-2.38,;70,-5.45,)|
Fc1cncc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)c1 |r,wU:8.7,wD:11.11,(44.01,-7.26,;45.35,-6.51,;46.67,-7.29,;48.01,-6.53,;48.02,-5,;46.7,-4.24,;46.71,-2.7,;45.39,-1.92,;44.05,-2.68,;44.04,-4.22,;42.7,-4.98,;41.37,-4.19,;40.03,-4.96,;38.69,-4.18,;37.92,-2.84,;39.47,-2.84,;37.36,-4.96,;36.03,-4.17,;34.71,-4.96,;34.71,-6.5,;36.03,-7.26,;37.36,-6.5,;33.37,-7.27,;32.04,-6.5,;32.03,-4.96,;30.7,-7.27,;30.55,-8.8,;29.04,-9.12,;28.27,-7.8,;29.3,-6.65,;28.42,-10.53,;27.18,-11.44,;28.59,-12.07,;41.37,-2.66,;42.72,-1.9,;45.36,-4.98,)|
Fc1cncc(c1)S(=O)(=O)N1C2CCC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:17.18.16:14.12.13|
NC1C2CN(CC12)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:12.13:15.16.17|
NC1CC2(C1)CN(C2)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:18.17.16:14.13|
NC1CCC(CC1)NC(=O)c1c[nH]cn1 |(5.19,2.55,;3.85,1.78,;3.85,.24,;2.52,-.53,;1.18,.24,;1.18,1.78,;2.52,2.55,;-.15,-.53,;-1.48,.24,;-1.48,1.78,;-2.82,-.53,;-2.82,-2.07,;-4.28,-2.55,;-5.19,-1.3,;-4.28,-.06,)|
NC1CCC(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:16.20,wD:11.11,14.15,THB:7:10:16.17.15:12.13,(9.34,-1.2,;8.01,-.43,;6.67,-1.2,;5.34,-.43,;5.34,1.11,;6.67,1.88,;8.01,1.11,;4.01,1.88,;3.24,3.21,;4.78,3.21,;2.67,1.11,;2.67,-.43,;1.13,-.43,;.57,.55,;1.34,1.88,;.01,1.11,;.01,-.43,;1.34,-1.2,;-1.33,-1.2,;-2.66,-.43,;-2.66,1.11,;-4,-1.2,;-5.46,-.72,;-6.37,-1.97,;-5.46,-3.21,;-4,-2.74,;-7.85,-1.57,;-8.94,-.48,;-9.34,-1.97,)|
NC1CCC(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2OC(F)(F)Oc2c1 |r,wU:14.15,11.11,wD:16.20,TLB:7:10:13.12:17.16.15,(-10.2,-1.39,;-8.66,-1.39,;-7.89,-2.72,;-6.35,-2.72,;-5.58,-1.39,;-6.35,-.05,;-7.89,-.05,;-4.04,-1.39,;-4.04,-2.93,;-4.04,.15,;-2.5,-1.39,;-2.1,-3.12,;-3.31,-2.16,;-3.31,-.62,;-2.1,.34,;-.6,-.01,;.07,-1.39,;-.6,-2.78,;1.61,-1.39,;2.38,-.06,;1.61,1.27,;3.92,-.06,;4.69,-1.39,;6.23,-1.39,;7,-.06,;8.5,.26,;8.66,1.79,;10.2,1.79,;9.43,3.12,;7.26,2.42,;6.23,1.27,;4.69,1.27,)|
NC1CCC1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.8,wD:11.15,(6.75,3.68,;7.52,2.35,;9.01,1.95,;8.61,.46,;7.13,.86,;5.79,.09,;5.79,-1.45,;4.46,.86,;3.12,.09,;3.12,-1.45,;1.79,-2.22,;.46,-1.45,;.46,.09,;1.79,.86,;-.88,-2.22,;-2.21,-1.45,;-2.21,.09,;-3.54,-2.22,;-4.79,-1.31,;-6.04,-2.22,;-5.56,-3.68,;-4.02,-3.68,;-7.52,-1.82,;-8.61,-.73,;-9.01,-2.22,)|
NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc([nH]n1)C1CC1 |r,TLB:7:10:13.12:17.16.15|
NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(no1)C1CC1 |r,TLB:7:10:13.12:17.16.15|
NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:17.16.15:13.12|
NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Br |r,TLB:7:10:13.12:17.16.15|
NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r,TLB:7:10:13.12:17.16.15|
NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1F |r,TLB:7:10:13.12:17.16.15|
NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)COc2c1 |r,TLB:7:10:13.12:17.16.15|
NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1 |r,TLB:7:10:13.12:17.16.15|
NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2OC(F)(F)Oc2c1 |r,TLB:7:10:13.12:17.16.15|
NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2OCC(=O)Nc2c1 |r,TLB:7:10:13.12:17.16.15|
NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cnn(c1)C1CC1 |r,TLB:7:10:13.12:17.16.15|
NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nnc(s1)C1CC1 |r,TLB:7:10:13.12:17.16.15|
NC1CC[C@@H](CC1)NC(=O)c1cccc2CC(=O)Nc12 |r,wD:4.7,(-2.62,5.78,;-2.62,4.23,;-1.29,3.47,;-1.29,1.93,;-2.62,1.15,;-3.96,1.93,;-3.96,3.47,;-2.62,-.38,;-1.29,-1.15,;.05,-.38,;-1.29,-2.69,;-2.62,-3.47,;-2.62,-5,;-1.29,-5.78,;.05,-5,;1.51,-5.48,;2.42,-4.23,;3.96,-4.23,;1.51,-2.99,;.05,-3.47,)|
NCC(=O)NC[C@@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NCC(=O)NC[C@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2NC(=O)Cc2c1 |r,wU:5.4,wD:8.11,(-9.29,-1.93,;-7.96,-2.69,;-6.62,-1.93,;-6.62,-.38,;-5.29,-2.69,;-3.96,-1.93,;-3.96,-.38,;-2.62,.38,;-1.29,-.38,;-1.29,-1.93,;-2.62,-2.69,;.05,.38,;1.38,-.38,;1.38,-1.93,;2.71,.38,;2.71,1.93,;4.05,2.69,;5.38,1.93,;6.84,2.4,;7.75,1.15,;9.29,1.15,;6.84,-.09,;5.38,.38,;4.05,-.38,)|
NCC(O)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,(9.4,1.5,;8.07,.73,;6.73,1.5,;6.73,3.04,;5.4,.73,;5.4,-.81,;4.07,1.5,;2.73,.73,;2.73,-.81,;1.4,-1.58,;.07,-.81,;.07,.73,;1.4,1.5,;-1.27,-1.58,;-2.6,-.81,;-2.6,.73,;-3.93,-1.58,;-5.18,-.67,;-6.43,-1.58,;-5.95,-3.04,;-4.41,-3.04,;-7.91,-1.18,;-9,-.09,;-9.4,-1.58,)|
NCC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
NCCC(=O)N(CCCO)[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:10.9,wD:13.16,(-6.73,3.08,;-5.4,3.85,;-4.07,3.08,;-2.73,3.85,;-2.73,5.39,;-1.4,3.08,;-.07,3.85,;1.27,3.08,;2.6,3.85,;3.93,3.08,;-1.4,1.54,;-.07,.77,;-.07,-.77,;-1.4,-1.54,;-2.73,-.77,;-2.73,.77,;-1.4,-3.08,;-.07,-3.85,;-.07,-5.39,;1.27,-3.08,;2.51,-3.99,;3.76,-3.08,;3.28,-1.62,;1.74,-1.62,;5.25,-3.48,;6.34,-4.57,;6.73,-3.08,)|
NCCC(=O)N(CCO)[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:9.8,wD:12.15,(-6.73,3.08,;-5.4,3.85,;-4.07,3.08,;-2.73,3.85,;-2.73,5.39,;-1.4,3.08,;-.07,3.85,;1.27,3.08,;2.6,3.85,;-1.4,1.54,;-.07,.77,;-.07,-.77,;-1.4,-1.54,;-2.73,-.77,;-2.73,.77,;-1.4,-3.08,;-.07,-3.85,;-.07,-5.39,;1.27,-3.08,;2.51,-3.99,;3.76,-3.08,;3.28,-1.62,;1.74,-1.62,;5.25,-3.48,;6.34,-4.57,;6.73,-3.08,)|
NCCC(=O)N1CCC(CC(=O)N2CCC3NC(=O)CC3C2)CC1
NCCC(=O)N1CCC(CC1)NC(=O)c1nnc[nH]1
NCCC(=O)NC1CCC(CC1)NC(=O)c1ccc2NC(=O)Cc2c1 |(-9.96,-2.69,;-8.62,-1.92,;-7.29,-2.69,;-5.96,-1.92,;-5.96,-.38,;-4.62,-2.69,;-3.29,-1.92,;-1.95,-2.69,;-.62,-1.92,;-.62,-.38,;-1.95,.39,;-3.29,-.38,;.71,.39,;2.05,-.38,;2.05,-1.92,;3.38,.39,;3.38,1.93,;4.71,2.69,;6.05,1.93,;7.51,2.4,;8.42,1.16,;9.96,1.16,;7.51,-.09,;6.05,.39,;4.71,-.38,)|
NCCC(=O)NC1CCC(CC1)NC(=O)c1ncc[nH]1 |(-7.85,-2.55,;-6.52,-1.78,;-5.19,-2.55,;-3.85,-1.78,;-3.85,-.24,;-2.52,-2.55,;-1.18,-1.78,;-1.18,-.24,;.15,.53,;1.48,-.24,;1.48,-1.78,;.15,-2.55,;2.82,.53,;4.15,-.24,;4.15,-1.78,;5.48,.53,;5.48,2.07,;6.95,2.55,;7.85,1.3,;6.95,.06,)|
NCCC(=O)NC[C@@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NCCC(=O)NC[C@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NCCC(=O)N[C@H]1CCC(CC1)NC(=O)c1ccccn1 |r,wU:6.5,(-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-4,-.38,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;1.33,-.38,;1.33,-1.93,;,-2.69,;2.67,.38,;4,-.38,;4,-1.93,;5.33,.38,;5.33,1.93,;6.67,2.69,;8,1.93,;8,.38,;6.67,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc2NC(=O)Cc2c1 |r,wU:6.5,wD:9.12,(-9.96,-2.69,;-8.62,-1.93,;-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,-2.69,;-3.29,-1.93,;-3.29,-.38,;-1.95,.38,;-.62,-.38,;-.62,-1.93,;-1.95,-2.69,;.71,.38,;.71,1.93,;2.05,-.38,;3.38,.38,;3.38,1.93,;4.71,2.69,;6.05,1.93,;7.51,2.4,;8.42,1.15,;9.96,1.15,;7.51,-.09,;6.05,.38,;4.71,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)N(CCO)C(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-8.73,-3.43,;-7.4,-2.66,;-6.07,-3.43,;-4.73,-2.66,;-4.73,-1.12,;-3.4,-3.43,;-2.07,-2.66,;-2.07,-1.12,;-.73,-.35,;.6,-1.12,;.6,-2.66,;-.73,-3.43,;1.93,-.35,;3.27,-1.12,;3.27,-2.66,;4.6,-3.43,;1.93,1.19,;.6,1.96,;3.27,1.96,;4.51,1.06,;5.76,1.96,;5.28,3.43,;3.74,3.43,;7.25,1.56,;8.34,.48,;8.73,1.96,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)N(CCc1ccccc1)C(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-8.73,-2.27,;-7.4,-1.5,;-6.07,-2.27,;-4.73,-1.5,;-4.73,.04,;-3.4,-2.27,;-2.07,-1.5,;-2.07,.04,;-.73,.81,;.6,.04,;.6,-1.5,;-.73,-2.27,;1.93,.81,;3.27,.04,;3.27,-1.5,;4.6,-2.27,;4.6,-3.81,;5.94,-4.58,;7.27,-3.81,;7.27,-2.27,;5.94,-1.5,;1.93,2.35,;.6,3.12,;3.27,3.12,;4.51,2.21,;5.76,3.12,;5.28,4.58,;3.74,4.58,;7.25,2.72,;8.34,1.63,;8.73,3.12,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-9.4,-3.85,;-8.07,-3.08,;-6.73,-3.85,;-5.4,-3.08,;-5.4,-1.54,;-4.07,-3.85,;-2.73,-3.08,;-2.73,-1.54,;-1.4,-.77,;-.07,-1.54,;-.07,-3.08,;-1.4,-3.85,;1.27,-.77,;1.27,.77,;-.07,1.54,;-.07,3.08,;-1.4,3.85,;-2.73,3.08,;-2.73,1.54,;-1.4,.77,;2.6,-1.54,;2.6,-3.08,;3.93,-.77,;5.18,-1.68,;6.43,-.77,;5.95,.69,;4.41,.69,;7.91,-1.17,;9,-2.26,;9.4,-.77,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)C1=NNC(=O)CC1 |r,wU:6.5,wD:9.12,t:16,(-8.67,-2.69,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;4.67,1.93,;6,2.69,;7.34,1.93,;8.67,2.69,;7.34,.38,;6,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)C1C[C@H]2C[C@@H]1C=C2 |r,wU:19.19,17.18,9.12,wD:6.5,c:22,(8,3.47,;6.67,2.69,;5.33,3.47,;4,2.69,;4,1.15,;2.67,3.47,;1.33,2.69,;,3.47,;-1.33,2.69,;-1.33,1.15,;,.38,;1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-5.33,.38,;-5.33,-1.15,;-6.67,-1.93,;-7.21,-.38,;-6.67,1.15,;-8,.38,;-8,-1.15,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCCn1ccnc1 |r,wU:6.5,wD:9.12,(9.85,1.54,;8.52,.77,;7.19,1.54,;5.85,.77,;5.85,-.77,;4.52,1.54,;3.19,.77,;3.19,-.77,;1.85,-1.54,;.52,-.77,;.52,.77,;1.85,1.54,;-.82,-1.54,;-2.15,-.77,;-2.15,.77,;-3.48,-1.54,;-4.82,-.77,;-6.15,-1.54,;-7.48,-.77,;-8.95,-1.25,;-9.85,,;-8.95,1.25,;-7.48,.77,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)Cc1c[nH]c2ccccc12 |r,wU:6.5,wD:9.12,(9.11,-.72,;7.62,-.32,;6.53,-1.41,;5.04,-1.01,;4.64,.48,;3.95,-2.1,;2.46,-1.7,;1.38,-2.79,;-.11,-2.39,;-.51,-.9,;.58,.19,;2.07,-.21,;-2,-.5,;-3.09,-1.59,;-2.69,-3.08,;-4.57,-1.19,;-4.97,.29,;-4.07,1.54,;-4.97,2.79,;-6.44,2.31,;-7.77,3.08,;-9.11,2.31,;-9.11,.77,;-7.77,-0,;-6.44,.77,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)Cc1c[nH]c2cccnc12 |r,wU:6.5,wD:9.12,(9.11,-.72,;7.62,-.32,;6.53,-1.41,;5.04,-1.01,;4.64,.48,;3.95,-2.1,;2.46,-1.7,;1.38,-2.79,;-.11,-2.39,;-.51,-.9,;.58,.19,;2.07,-.21,;-2,-.5,;-3.09,-1.59,;-2.69,-3.08,;-4.57,-1.19,;-4.97,.29,;-4.07,1.54,;-4.97,2.79,;-6.44,2.31,;-7.77,3.08,;-9.11,2.31,;-9.11,.77,;-7.77,-0,;-6.44,.77,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)Cc1cc(F)cc(F)c1 |r,wU:6.5,wD:9.12,(-9.34,-.77,;-8,,;-6.67,-.77,;-5.33,,;-5.33,1.54,;-4,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;,1.54,;;-1.33,-.77,;1.33,2.31,;2.67,1.54,;2.67,,;4,2.31,;5.33,1.54,;6.67,2.31,;8,1.54,;9.34,2.31,;8,,;6.67,-.77,;6.67,-2.31,;5.33,,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)Cc1ccc(F)cc1 |r,wU:6.5,wD:9.12,(-9.34,-1.54,;-8,-.77,;-6.67,-1.54,;-5.33,-.77,;-5.33,.77,;-4,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;1.33,1.54,;2.67,.77,;2.67,-.77,;4,1.54,;5.33,.77,;5.33,-.77,;6.67,-1.54,;8,-.77,;9.34,-1.54,;8,.77,;6.67,1.54,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)Cc1ccc2NC(=O)Cc2c1 |r,wU:6.5,wD:9.12,(-10.62,1.54,;-9.29,.77,;-7.96,1.54,;-6.62,.77,;-6.62,-.77,;-5.29,1.54,;-3.96,.77,;-2.62,1.54,;-1.29,.77,;-1.29,-.77,;-2.62,-1.54,;-3.96,-.77,;.05,-1.54,;1.38,-.77,;1.38,.77,;2.71,-1.54,;4.05,-.77,;4.05,.77,;5.38,1.54,;6.71,.77,;8.18,1.25,;9.08,,;10.62,,;8.18,-1.25,;6.71,-.77,;5.38,-1.54,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)Cc1cccc(c1)C(F)(F)F |r,wU:6.5,wD:9.12,(-10,-2.31,;-8.67,-1.54,;-7.34,-2.31,;-6,-1.54,;-6,,;-4.67,-2.31,;-3.33,-1.54,;-3.33,,;-2,.77,;-.67,,;-.67,-1.54,;-2,-2.31,;.67,.77,;2,,;2,-1.54,;3.33,.77,;4.67,,;4.67,-1.54,;6,-2.31,;7.34,-1.54,;7.34,,;6,.77,;8.67,.77,;10,,;8.67,2.31,;10,1.54,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)Cc1cccnc1 |r,wU:6.5,wD:9.12,(-8.67,-1.54,;-7.34,-.77,;-6,-1.54,;-4.67,-.77,;-4.67,.77,;-3.33,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;2,1.54,;3.33,.77,;3.33,-.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;8.67,-.77,;7.34,-1.54,;6,-.77,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)Cc1cncnc1 |r,wU:6.5,wD:9.12,(-8.67,-1.54,;-7.34,-.77,;-6,-1.54,;-4.67,-.77,;-4.67,.77,;-3.33,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;2,1.54,;3.33,.77,;3.33,-.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;7.34,1.54,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccnc1 |r,wU:6.5,wD:9.12,(-8.52,-1.54,;-7.19,-.77,;-5.85,-1.54,;-4.52,-.77,;-4.52,.77,;-3.19,-1.54,;-1.85,-.77,;-1.85,.77,;-.52,1.54,;.82,.77,;.82,-.77,;-.52,-1.54,;2.15,1.54,;3.48,.77,;3.48,-.77,;4.82,1.54,;6.15,.77,;7.61,1.25,;8.52,,;7.61,-1.25,;6.15,-.77,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)[C@H]1CC[C@H](N)CC1 |r,wU:6.5,15.15,wD:9.12,18.19,(-8.67,-2.7,;-7.34,-1.93,;-6,-2.7,;-4.67,-1.92,;-4.67,-.38,;-3.33,-2.69,;-2,-1.92,;-2,-.38,;-.67,.39,;.67,-.38,;.67,-1.92,;-.67,-2.69,;2,.39,;3.33,-.38,;3.33,-1.92,;4.67,.39,;4.67,1.93,;6,2.7,;7.34,1.93,;8.67,2.7,;7.34,.39,;6,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)[C@H]1C[C@H](O)CN1 |r,wU:6.5,17.18,wD:9.12,15.15,(-8.62,-2.55,;-7.29,-1.78,;-5.96,-2.55,;-4.62,-1.78,;-4.62,-.24,;-3.29,-2.55,;-1.95,-1.78,;-1.95,-.24,;-.62,.53,;.71,-.24,;.71,-1.78,;-.62,-2.55,;2.05,.53,;3.38,-.24,;3.38,-1.78,;4.71,.53,;6.18,.06,;7.08,1.3,;8.62,1.3,;6.18,2.55,;4.71,2.07,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)\C=C\c1c[nH]cn1 |r,wU:6.5,wD:9.12,(-9.19,-2.55,;-7.85,-1.78,;-6.52,-2.55,;-5.19,-1.78,;-5.19,-.24,;-3.85,-2.55,;-2.52,-1.78,;-2.52,-.24,;-1.18,.53,;.15,-.24,;.15,-1.78,;-1.18,-2.55,;1.48,.53,;2.82,-.24,;2.82,-1.78,;4.15,.53,;5.48,-.24,;6.82,.53,;6.82,2.07,;8.28,2.55,;9.19,1.3,;8.28,.06,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1c[nH]c2ccccc12 |r,wU:6.5,wD:9.12,(6.38,-2.99,;5.29,-4.08,;3.81,-3.68,;2.72,-4.77,;3.12,-6.25,;1.23,-4.37,;.83,-2.88,;-.66,-2.48,;-1.06,-.99,;.03,.09,;1.52,-.3,;1.92,-1.79,;-.36,1.58,;-1.85,1.98,;-2.94,.89,;-2.25,3.47,;-1.35,4.71,;-2.25,5.96,;-3.72,5.48,;-5.05,6.25,;-6.38,5.48,;-6.38,3.94,;-5.05,3.17,;-3.72,3.94,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1c[nH]cn1 |r,wU:6.5,wD:9.12,(-7.85,-2.55,;-6.52,-1.78,;-5.19,-2.55,;-3.85,-1.78,;-3.85,-.24,;-2.52,-2.55,;-1.18,-1.78,;-1.18,-.24,;.15,.53,;1.48,-.24,;1.48,-1.78,;.15,-2.55,;2.82,.53,;4.15,-.24,;4.15,-1.78,;5.48,.53,;5.48,2.07,;6.95,2.55,;7.85,1.3,;6.95,.06,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(=O)c2ccccc2o1 |r,wU:6.5,wD:9.12,(9.34,-3.46,;8,-2.69,;6.67,-3.47,;5.33,-2.69,;5.33,-1.15,;4,-3.47,;2.67,-2.69,;1.33,-3.47,;,-2.69,;,-1.15,;1.33,-.38,;2.67,-1.15,;-1.33,-.38,;-2.67,-1.15,;-2.67,-2.69,;-4,-.38,;-4,1.15,;-5.33,1.93,;-5.33,3.47,;-6.67,1.15,;-8,1.93,;-9.34,1.15,;-9.34,-.38,;-8,-1.15,;-6.67,-.38,;-5.33,-1.15,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Cl)[nH]n1 |r,wU:6.5,wD:9.12,(-8.62,-2.55,;-7.29,-1.78,;-5.96,-2.55,;-4.62,-1.78,;-4.62,-.24,;-3.29,-2.55,;-1.95,-1.78,;-1.95,-.24,;-.62,.53,;.71,-.24,;.71,-1.78,;-.62,-2.55,;2.05,.53,;3.38,-.24,;3.38,-1.78,;4.71,.53,;6.18,.06,;7.08,1.3,;8.62,1.3,;6.18,2.55,;4.71,2.07,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(O)c2ccccc2n1 |r,wU:6.5,wD:9.12,(9.34,-3.47,;8,-2.69,;6.67,-3.47,;5.33,-2.69,;5.33,-1.15,;4,-3.47,;2.67,-2.69,;1.33,-3.47,;,-2.69,;,-1.15,;1.33,-.38,;2.67,-1.15,;-1.33,-.38,;-2.67,-1.15,;-2.67,-2.69,;-4,-.38,;-4,1.15,;-5.33,1.93,;-5.33,3.47,;-6.67,1.15,;-8,1.93,;-9.34,1.15,;-9.34,-.38,;-8,-1.15,;-6.67,-.38,;-5.33,-1.15,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(O)nc2ccccc12 |r,wU:6.5,wD:9.12,(5.33,4.62,;4,5.39,;2.67,4.62,;1.33,5.39,;1.33,6.93,;,4.62,;,3.08,;1.33,2.31,;1.33,.77,;;-1.33,.77,;-1.33,2.31,;,-1.54,;-1.33,-2.31,;-2.67,-1.54,;-1.33,-3.85,;,-4.62,;,-6.16,;1.33,-6.93,;-1.33,-6.93,;-2.67,-6.16,;-4,-6.93,;-5.33,-6.16,;-5.33,-4.62,;-4,-3.85,;-2.67,-4.62,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-9.4,-2.27,;-8.07,-1.5,;-6.73,-2.27,;-5.4,-1.5,;-5.4,.04,;-4.07,-2.27,;-2.73,-1.5,;-2.73,.04,;-1.4,.81,;-.07,.04,;-.07,-1.5,;-1.4,-2.27,;1.27,.81,;2.6,.04,;2.6,-1.5,;3.93,.81,;5.18,-.1,;6.43,.81,;5.95,2.27,;4.41,2.27,;7.91,.41,;9,-.68,;9.4,.81,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r,wU:6.5,wD:9.12,(-9.96,-2.69,;-8.62,-1.93,;-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,-2.69,;-3.29,-1.93,;-3.29,-.38,;-1.95,.38,;-.62,-.38,;-.62,-1.93,;-1.95,-2.69,;.71,.38,;2.05,-.38,;2.05,-1.93,;3.38,.38,;4.71,-.38,;6.05,.38,;7.51,-.09,;8.42,1.15,;9.96,1.15,;7.51,2.4,;6.05,1.93,;4.71,2.69,;3.38,1.93,;2.05,2.69,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cc(Br)ccc2nc1O |r,wU:6.5,wD:9.12,(10,-2.69,;8.67,-1.93,;7.34,-2.69,;6,-1.93,;6,-.38,;4.67,-2.69,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;3.33,-.38,;-.67,.38,;-2,-.38,;-2,-1.93,;-3.33,.38,;-4.67,-.38,;-6,.38,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-8.67,1.93,;-7.34,2.69,;-6,1.93,;-4.67,2.69,;-3.33,1.93,;-2,2.69,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 |r,wU:6.5,wD:9.12,(9.73,-1.9,;8.19,-1.9,;7.42,-.56,;5.88,-.56,;5.11,-1.9,;5.11,.77,;3.57,.77,;2.8,-.56,;1.26,-.56,;.49,.77,;1.26,2.1,;2.8,2.1,;-1.05,.77,;-1.82,-.56,;-1.05,-1.9,;-3.36,-.56,;-4.26,-1.81,;-5.73,-1.33,;-7.06,-2.1,;-8.4,-1.33,;-9.73,-2.1,;-8.4,.21,;-7.06,.98,;-5.73,.21,;-4.26,.68,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cc(F)ccc2[nH]1 |r,wU:6.5,wD:9.12,(9.73,-1.9,;8.19,-1.9,;7.42,-.56,;5.88,-.56,;5.11,-1.9,;5.11,.77,;3.57,.77,;2.8,-.56,;1.26,-.56,;.49,.77,;1.26,2.1,;2.8,2.1,;-1.05,.77,;-1.82,-.56,;-1.05,-1.9,;-3.36,-.56,;-4.26,-1.81,;-5.73,-1.33,;-7.06,-2.1,;-8.4,-1.33,;-9.73,-2.1,;-8.4,.21,;-7.06,.98,;-5.73,.21,;-4.26,.68,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccc(O)c2cc1O |r,wU:6.5,wD:9.12,(-9.34,-3.47,;-8,-2.69,;-6.67,-3.47,;-5.33,-2.69,;-5.33,-1.15,;-4,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;,-2.69,;-1.33,-3.47,;1.33,-.38,;2.67,-1.15,;2.67,-2.69,;4,-.38,;5.33,-1.15,;6.67,-.38,;8,-1.15,;9.34,-.38,;9.34,1.15,;8,1.93,;8,3.47,;6.67,1.15,;5.33,1.93,;4,1.15,;2.67,1.93,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccccc2[nH]1 |r,wU:6.5,wD:9.12,(9.06,-1.9,;7.52,-1.9,;6.75,-.56,;5.21,-.56,;4.44,-1.9,;4.44,.77,;2.9,.77,;2.13,-.56,;.59,-.56,;-.18,.77,;.59,2.1,;2.13,2.1,;-1.72,.77,;-2.49,-.56,;-1.72,-1.9,;-4.03,-.56,;-4.93,-1.81,;-6.4,-1.33,;-7.73,-2.1,;-9.06,-1.33,;-9.06,.21,;-7.73,.98,;-6.4,.21,;-4.93,.68,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccccc2nc1O |r,wU:6.5,wD:9.12,(9.34,-2.69,;8,-1.93,;6.67,-2.69,;5.33,-1.93,;5.33,-.38,;4,-2.69,;2.67,-1.93,;1.33,-2.69,;,-1.93,;,-.38,;1.33,.38,;2.67,-.38,;-1.33,.38,;-2.67,-.38,;-2.67,-1.93,;-4,.38,;-5.33,-.38,;-6.67,.38,;-8,-.38,;-9.34,.38,;-9.34,1.93,;-8,2.69,;-6.67,1.93,;-5.33,2.69,;-4,1.93,;-2.67,2.69,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cn[nH]c2cn1 |r,wU:6.5,wD:9.12,(-9.19,-2.69,;-7.85,-1.93,;-6.52,-2.69,;-5.19,-1.93,;-5.19,-.38,;-3.85,-2.69,;-2.52,-1.93,;-2.52,-.38,;-1.18,.38,;.15,-.38,;.15,-1.93,;-1.18,-2.69,;1.48,.38,;2.82,-.38,;2.82,-1.93,;4.15,.38,;5.48,-.38,;6.82,.38,;8.28,-.09,;9.19,1.15,;8.28,2.4,;6.82,1.93,;5.48,2.69,;4.15,1.93,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc[nH+]cc1 |r,wU:6.5,wD:9.12,(-8.67,-2.69,;-7.34,-1.92,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;6,-.38,;7.34,.38,;7.34,1.93,;6,2.69,;4.67,1.93,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(Cl)cc1C(F)(F)F |r,wU:6.5,wD:9.12,(-8.67,-3.47,;-7.34,-2.69,;-6,-3.47,;-4.67,-2.69,;-4.67,-1.15,;-3.33,-3.47,;-2,-2.69,;-2,-1.15,;-.67,-.38,;.67,-1.15,;.67,-2.69,;-.67,-3.47,;2,-.38,;3.33,-1.15,;3.33,-2.69,;4.67,-.38,;6,-1.15,;7.34,-.38,;7.34,1.15,;8.67,1.93,;6,1.93,;4.67,1.15,;3.33,1.93,;2,1.15,;3.33,3.47,;2,2.69,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(N)cn1 |r,wU:6.5,wD:9.12,(-8.67,-2.69,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;4.67,1.93,;6,2.69,;7.34,1.93,;8.67,2.69,;7.34,.38,;6,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(N)nc1 |r,wU:6.5,wD:9.12,(-8.67,-2.69,;-7.34,-1.92,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;4.67,1.93,;6,2.69,;7.34,1.93,;8.67,2.69,;7.34,.38,;6,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(O)cn1 |r,wU:6.5,wD:9.12,(-8.67,-2.69,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;4.67,1.93,;6,2.69,;7.34,1.93,;8.67,2.69,;7.34,.38,;6,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(O)nc1 |r,wU:6.5,wD:9.12,(-8.67,-2.69,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;4.67,1.93,;6,2.69,;7.34,1.93,;8.67,2.69,;7.34,.38,;6,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(O)nn1 |r,wU:6.5,wD:9.12,(-8.67,-2.69,;-7.34,-1.92,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;4.67,1.93,;6,2.69,;7.34,1.93,;8.67,2.69,;7.34,.38,;6,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(cc1)-c1ccccc1 |r,wU:6.5,wD:9.12,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-6,-1.54,;-4.67,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;-.67,-3.08,;-2,-3.85,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(cc1)-n1cncn1 |r,wU:6.5,wD:9.12,(-9.85,-3.7,;-8.52,-2.93,;-7.19,-3.7,;-5.85,-2.93,;-5.85,-1.39,;-4.52,-3.7,;-3.19,-2.93,;-3.19,-1.39,;-1.85,-.62,;-.52,-1.39,;-.52,-2.93,;-1.85,-3.7,;.82,-.62,;2.15,-1.39,;2.15,-2.93,;3.48,-.62,;4.82,-1.39,;6.15,-.62,;6.15,.92,;4.82,1.69,;3.48,.92,;7.48,1.69,;7.48,3.23,;8.95,3.7,;9.85,2.46,;8.95,1.21,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(cc1)-n1cnnc1 |r,wU:6.5,wD:9.12,(-9.85,-3.7,;-8.52,-2.93,;-7.19,-3.7,;-5.85,-2.93,;-5.85,-1.39,;-4.52,-3.7,;-3.19,-2.93,;-3.19,-1.39,;-1.85,-.62,;-.52,-1.39,;-.52,-2.93,;-1.85,-3.7,;.82,-.62,;2.15,-1.39,;2.15,-2.93,;3.48,-.62,;4.82,-1.39,;6.15,-.62,;6.15,.92,;4.82,1.69,;3.48,.92,;7.48,1.69,;7.48,3.23,;8.95,3.7,;9.85,2.46,;8.95,1.21,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(cc1)N1CCCC1 |r,wU:6.5,wD:9.12,(-9.85,-3.7,;-8.52,-2.93,;-7.19,-3.7,;-5.85,-2.93,;-5.85,-1.39,;-4.52,-3.7,;-3.19,-2.93,;-3.19,-1.39,;-1.85,-.62,;-.52,-1.39,;-.52,-2.93,;-1.85,-3.7,;.82,-.62,;2.15,-1.39,;2.15,-2.93,;3.48,-.62,;4.82,-1.39,;6.15,-.62,;6.15,.92,;4.82,1.69,;3.48,.92,;7.48,1.69,;8.95,1.21,;9.85,2.46,;8.95,3.7,;7.48,3.23,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(cc1)S(N)(=O)=O |r,wU:6.5,wD:9.12,(-9.34,-3.36,;-8,-2.59,;-6.67,-3.36,;-5.33,-2.59,;-5.33,-1.05,;-4,-3.36,;-2.67,-2.59,;-2.67,-1.05,;-1.33,-.28,;,-1.05,;,-2.59,;-1.33,-3.36,;1.33,-.28,;2.67,-1.05,;2.67,-2.59,;4,-.28,;5.33,-1.05,;6.67,-.28,;6.67,1.26,;5.33,2.03,;4,1.26,;8,2.03,;9.34,2.8,;7.23,3.36,;8.77,.69,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2C(=O)NCc2c1 |r,wU:6.5,wD:9.12,(-9.19,-3.21,;-7.85,-2.44,;-6.52,-3.21,;-5.19,-2.44,;-5.19,-.9,;-3.85,-3.21,;-2.52,-2.44,;-2.52,-.9,;-1.18,-.13,;.15,-.9,;.15,-2.44,;-1.18,-3.21,;1.48,-.13,;2.82,-.9,;2.82,-2.44,;4.15,-.13,;4.15,1.41,;5.48,2.18,;6.82,1.41,;8.28,1.88,;9.05,3.21,;9.19,.64,;8.28,-.61,;6.82,-.13,;5.48,-.9,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2CCCCc2c1 |r,wU:6.5,wD:9.12,(-9.34,-2.69,;-8,-1.93,;-6.67,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,-2.69,;-2.67,-1.93,;-2.67,-.38,;-1.33,.38,;,-.38,;,-1.93,;-1.33,-2.69,;1.33,.38,;2.67,-.38,;2.67,-1.93,;4,.38,;4,1.93,;5.33,2.69,;6.67,1.93,;8,2.69,;9.34,1.93,;9.34,.38,;8,-.38,;6.67,.38,;5.33,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2NC(=O)C(=O)c2c1 |r,wU:6.5,wD:9.12,(-9.96,-2.69,;-8.62,-1.93,;-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,-2.69,;-3.29,-1.93,;-3.29,-.38,;-1.95,.38,;-.62,-.38,;-.62,-1.93,;-1.95,-2.69,;.71,.38,;2.05,-.38,;2.05,-1.93,;3.38,.38,;3.38,1.93,;4.71,2.69,;6.05,1.93,;7.51,2.4,;8.42,1.15,;9.96,1.15,;7.51,-.09,;8.28,-1.42,;6.05,.38,;4.71,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2NC(=O)C(=O)c2c1 |r,wU:6.5,wD:9.12,(-9.96,-2.69,;-8.62,-1.93,;-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,-2.69,;-3.29,-1.93,;-3.29,-.38,;-1.95,.38,;-.62,-.38,;-.62,-1.93,;-1.95,-2.69,;.71,.38,;2.05,-.38,;2.05,-1.93,;3.38,.38,;3.38,1.93,;4.71,2.69,;6.05,1.93,;7.51,2.4,;8.42,1.15,;9.96,1.16,;7.51,-.09,;8.28,-1.42,;6.05,.38,;4.71,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2OC(F)(F)Oc2c1 |r,wU:6.5,wD:9.12,(-9.85,-2.69,;-8.52,-1.92,;-7.19,-2.69,;-5.85,-1.93,;-5.85,-.38,;-4.52,-2.69,;-3.19,-1.93,;-3.19,-.38,;-1.85,.38,;-.52,-.38,;-.52,-1.93,;-1.85,-2.69,;.82,.38,;2.15,-.38,;2.15,-1.93,;3.48,.38,;3.48,1.93,;4.82,2.69,;6.15,1.93,;7.61,2.4,;8.52,1.15,;9.85,.38,;9.85,1.93,;7.61,-.09,;6.15,.38,;4.82,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2OCOc2c1 |r,wU:6.5,wD:9.12,(-9.19,-2.69,;-7.85,-1.92,;-6.52,-2.69,;-5.19,-1.92,;-5.19,-.38,;-3.85,-2.69,;-2.52,-1.92,;-2.52,-.38,;-1.18,.39,;.15,-.38,;.15,-1.92,;-1.18,-2.69,;1.48,.39,;2.82,-.38,;2.82,-1.92,;4.15,.39,;4.15,1.93,;5.48,2.69,;6.82,1.93,;8.28,2.4,;9.19,1.16,;8.28,-.09,;6.82,.39,;5.48,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2[n+]([O-])onc2c1 |r,wU:6.5,wD:9.12,(-9.19,-3.21,;-7.85,-2.44,;-6.52,-3.21,;-5.19,-2.44,;-5.19,-.9,;-3.85,-3.21,;-2.52,-2.44,;-2.52,-.9,;-1.18,-.13,;.15,-.9,;.15,-2.44,;-1.18,-3.21,;1.48,-.13,;2.82,-.9,;2.82,-2.44,;4.15,-.13,;4.15,1.41,;5.48,2.18,;6.82,1.41,;8.28,1.88,;9.05,3.21,;9.19,.64,;8.28,-.61,;6.82,-.13,;5.48,-.9,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2[nH]ccc2c1 |r,wU:6.5,wD:9.12,(-9.19,-2.69,;-7.85,-1.93,;-6.52,-2.69,;-5.19,-1.93,;-5.19,-.38,;-3.85,-2.69,;-2.52,-1.93,;-2.52,-.38,;-1.18,.38,;.15,-.38,;.15,-1.93,;-1.18,-2.69,;1.48,.38,;2.82,-.38,;2.82,-1.93,;4.15,.38,;4.15,1.93,;5.48,2.69,;6.82,1.93,;8.28,2.4,;9.19,1.15,;8.28,-.09,;6.82,.38,;5.48,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2[nH]cnc2c1 |r,wU:6.5,wD:9.12,(-9.19,-2.69,;-7.85,-1.92,;-6.52,-2.69,;-5.19,-1.93,;-5.19,-.38,;-3.85,-2.69,;-2.52,-1.93,;-2.52,-.38,;-1.18,.38,;.15,-.38,;.15,-1.93,;-1.18,-2.69,;1.48,.38,;2.82,-.38,;2.82,-1.93,;4.15,.38,;4.15,1.93,;5.48,2.69,;6.82,1.93,;8.28,2.4,;9.19,1.15,;8.28,-.09,;6.82,.38,;5.48,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2cc[nH]c2c1 |r,wU:6.5,wD:9.12,(-9.19,2.69,;-7.85,1.93,;-6.52,2.69,;-5.19,1.93,;-5.19,.38,;-3.85,2.69,;-2.52,1.93,;-1.18,2.69,;.15,1.93,;.15,.38,;-1.18,-.38,;-2.52,.38,;1.48,-.38,;2.82,.38,;2.82,1.93,;4.15,-.38,;4.15,-1.93,;5.48,-2.69,;6.82,-1.93,;8.28,-2.4,;9.19,-1.15,;8.28,.09,;6.82,-.38,;5.48,.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2n1 |r,wU:6.5,wD:9.12,(9.34,2.69,;8,1.92,;6.67,2.69,;5.33,1.93,;5.33,.38,;4,2.69,;2.67,1.93,;2.67,.38,;1.33,-.38,;,.38,;,1.93,;1.33,2.69,;-1.33,-.38,;-2.67,.38,;-2.67,1.93,;-4,-.38,;-4,-1.93,;-5.33,-2.69,;-6.67,-1.93,;-8,-2.69,;-9.34,-1.93,;-9.34,-.38,;-8,.38,;-6.67,-.38,;-5.33,.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2cnccc2c1 |r,wU:6.5,wD:9.12,(-9.34,-2.69,;-8,-1.93,;-6.67,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,-2.69,;-2.67,-1.93,;-2.67,-.38,;-1.33,.38,;,-.38,;,-1.93,;-1.33,-2.69,;1.33,.38,;2.67,-.38,;2.67,-1.93,;4,.38,;4,1.93,;5.33,2.69,;6.67,1.93,;8,2.69,;9.34,1.93,;9.34,.38,;8,-.38,;6.67,.38,;5.33,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ncsc2c1 |r,wU:6.5,wD:9.12,(-9.19,2.69,;-7.85,1.93,;-6.52,2.69,;-5.19,1.93,;-5.19,.38,;-3.85,2.69,;-2.52,1.93,;-1.18,2.69,;.15,1.93,;.15,.38,;-1.18,-.38,;-2.52,.38,;1.48,-.38,;2.82,.38,;2.82,1.93,;4.15,-.38,;4.15,-1.93,;5.48,-2.69,;6.82,-1.93,;8.28,-2.4,;9.19,-1.15,;8.28,.09,;6.82,-.38,;5.48,.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nonc2c1 |r,wU:6.5,wD:9.12,(-9.19,-2.69,;-7.85,-1.92,;-6.52,-2.69,;-5.19,-1.93,;-5.19,-.38,;-3.85,-2.69,;-2.52,-1.93,;-2.52,-.38,;-1.18,.38,;.15,-.38,;.15,-1.93,;-1.18,-2.69,;1.48,.38,;2.82,-.38,;2.82,-1.93,;4.15,.38,;4.15,1.93,;5.48,2.69,;6.82,1.93,;8.28,2.4,;9.19,1.15,;8.28,-.09,;6.82,.38,;5.48,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cccc(F)n1 |r,wU:6.5,wD:9.12,(-8.67,-2.69,;-7.34,-1.92,;-6,-2.69,;-4.67,-1.92,;-4.67,-.38,;-3.33,-2.69,;-2,-1.92,;-2,-.38,;-.67,.39,;.67,-.38,;.67,-1.92,;-.67,-2.69,;2,.39,;3.33,-.38,;3.33,-1.92,;4.67,.39,;4.67,1.93,;6,2.69,;7.34,1.93,;7.34,.39,;8.67,-.38,;6,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cccc(N)n1 |r,wU:6.5,wD:9.12,(-8.67,-2.69,;-7.34,-1.92,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;4.67,1.93,;6,2.69,;7.34,1.93,;7.34,.38,;8.67,-.38,;6,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2CC(=O)Nc12 |r,wU:6.5,wD:9.12,(-5.96,4.62,;-4.62,5.39,;-3.29,4.62,;-1.95,5.39,;-1.95,6.93,;-.62,4.62,;-.62,3.08,;.71,2.31,;.71,.77,;-.62,,;-1.95,.77,;-1.95,2.31,;-.62,-1.54,;.71,-2.31,;2.05,-1.54,;.71,-3.85,;-.62,-4.62,;-.62,-6.16,;.71,-6.93,;2.05,-6.16,;3.51,-6.64,;4.42,-5.39,;5.96,-5.39,;3.51,-4.14,;2.05,-4.62,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2NC(=O)Cc12 |r,wU:6.5,wD:9.12,(-5.96,-4.62,;-4.62,-5.39,;-3.29,-4.62,;-1.95,-5.39,;-1.95,-6.93,;-.62,-4.62,;-.62,-3.08,;-1.95,-2.31,;-1.95,-.77,;-.62,,;.71,-.77,;.71,-2.31,;-.62,1.54,;.71,2.31,;2.05,1.54,;.71,3.85,;-.62,4.62,;-.62,6.16,;.71,6.93,;2.05,6.16,;3.51,6.64,;4.42,5.39,;5.96,5.39,;3.51,4.14,;2.05,4.62,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2OC(F)(F)Oc12 |r,wU:6.5,wD:9.12,(-5.85,-4.62,;-4.52,-5.39,;-3.19,-4.62,;-1.85,-5.39,;-1.85,-6.93,;-.52,-4.62,;-.52,-3.08,;-1.85,-2.31,;-1.85,-.77,;-.52,,;.82,-.77,;.82,-2.31,;-.52,1.54,;.82,2.31,;2.15,1.54,;.82,3.85,;-.52,4.62,;-.52,6.16,;.82,6.93,;2.15,6.16,;3.61,6.64,;4.52,5.39,;5.85,4.62,;5.85,6.16,;3.61,4.14,;2.15,4.62,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2[nH]ccc12 |r,wU:6.5,wD:9.12,(-5.19,-4.62,;-3.85,-5.39,;-2.52,-4.62,;-1.18,-5.39,;-1.18,-6.93,;.15,-4.62,;.15,-3.08,;-1.18,-2.31,;-1.18,-.77,;.15,,;1.48,-.77,;1.48,-2.31,;.15,1.54,;1.48,2.31,;2.82,1.54,;1.48,3.85,;.15,4.62,;.15,6.16,;1.48,6.93,;2.82,6.16,;4.28,6.64,;5.19,5.39,;4.28,4.14,;2.82,4.62,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cccnc1 |r,wU:6.5,wD:9.12,(-8,-2.69,;-6.67,-1.92,;-5.33,-2.69,;-4,-1.92,;-4,-.38,;-2.67,-2.69,;-1.33,-1.92,;-1.33,-.38,;,.39,;1.33,-.38,;1.33,-1.92,;,-2.69,;2.67,.39,;4,-.38,;4,-1.92,;5.33,.39,;5.33,1.93,;6.67,2.69,;8,1.93,;8,.39,;6.67,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cccnc1O |r,wU:6.5,wD:9.12,(-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-4,-.38,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;1.33,-.38,;1.33,-1.93,;,-2.69,;2.67,.38,;4,-.38,;4,-1.93,;5.33,.38,;6.67,-.38,;8,.38,;8,1.93,;6.67,2.69,;5.33,1.93,;4,2.69,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc(N)c1 |r,wU:6.5,wD:9.12,(-8.67,-2.7,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.92,;-4.67,-.38,;-3.33,-2.69,;-2,-1.92,;-2,-.38,;-.67,.39,;.67,-.38,;.67,-1.92,;-.67,-2.69,;2,.39,;3.33,-.38,;3.33,-1.92,;4.67,.39,;4.67,1.93,;6,2.7,;7.34,1.93,;7.34,.39,;8.67,-.38,;6,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc(O)c1 |r,wU:6.5,wD:9.12,(-8.67,-2.7,;-7.34,-1.93,;-6,-2.7,;-4.67,-1.93,;-4.67,-.39,;-3.33,-2.7,;-2,-1.93,;-2,-.39,;-.67,.38,;.67,-.39,;.67,-1.93,;-.67,-2.7,;2,.38,;3.33,-.39,;3.33,-1.93,;4.67,.38,;4.67,1.92,;6,2.7,;7.34,1.92,;7.34,.38,;8.67,-.38,;6,-.39,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccncc1 |r,wU:6.5,wD:9.12,(-8,-2.69,;-6.67,-1.92,;-5.33,-2.69,;-4,-1.92,;-4,-.38,;-2.67,-2.69,;-1.33,-1.92,;-1.33,-.38,;,.39,;1.33,-.38,;1.33,-1.92,;,-2.69,;2.67,.39,;4,-.38,;4,-1.92,;5.33,.39,;6.67,-.38,;8,.39,;8,1.93,;6.67,2.69,;5.33,1.93,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccncc1F |r,wU:6.5,wD:9.12,(-8,-2.69,;-6.67,-1.92,;-5.33,-2.69,;-4,-1.93,;-4,-.38,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;1.33,-.38,;1.33,-1.93,;,-2.69,;2.67,.38,;4,-.38,;4,-1.93,;5.33,.38,;6.67,-.38,;8,.38,;8,1.93,;6.67,2.69,;5.33,1.93,;4,2.69,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cn(CC(N)=O)nn1 |r,wU:6.5,wD:9.12,(-9.78,-3.26,;-8.44,-2.49,;-7.11,-3.26,;-5.78,-2.49,;-5.78,-.95,;-4.44,-3.26,;-3.11,-2.49,;-3.11,-.95,;-1.78,-.18,;-.44,-.95,;-.44,-2.49,;-1.78,-3.26,;.89,-.18,;2.22,-.95,;2.22,-2.49,;3.56,-.18,;5.02,-.65,;5.93,.59,;7.47,.59,;8.24,1.93,;9.78,1.93,;7.47,3.26,;5.02,1.84,;3.56,1.36,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cn2ccsc2n1 |r,wU:6.5,wD:9.12,(-8.91,2,;-7.37,2,;-6.6,.67,;-5.06,.67,;-4.29,2,;-4.29,-.67,;-2.75,-.67,;-1.98,.67,;-.44,.67,;.33,-.67,;-.44,-2,;-1.98,-2,;1.87,-.67,;2.64,.67,;1.87,2,;4.18,.67,;5.08,1.91,;6.54,1.44,;8.01,1.91,;8.91,.67,;8.01,-.58,;6.54,-.1,;5.08,-.58,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cn2ncccc2n1 |r,wU:6.5,wD:9.12,(9.06,-1.9,;7.52,-1.9,;6.75,-.56,;5.21,-.56,;4.44,-1.9,;4.44,.77,;2.9,.77,;2.13,-.56,;.59,-.56,;-.18,.77,;.59,2.1,;2.13,2.1,;-1.72,.77,;-2.49,-.56,;-1.72,-1.9,;-4.03,-.56,;-4.93,-1.81,;-6.4,-1.33,;-7.73,-2.1,;-9.06,-1.33,;-9.06,.21,;-7.73,.98,;-6.4,.21,;-4.93,.68,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2ccccc2n1 |r,wU:6.5,wD:9.12,(9.34,2.69,;8,1.93,;6.67,2.69,;5.33,1.93,;5.33,.38,;4,2.69,;2.67,1.93,;2.67,.38,;1.33,-.38,;,.38,;,1.93,;1.33,2.69,;-1.33,-.38,;-2.67,.38,;-2.67,1.93,;-4,-.38,;-4,-1.93,;-5.33,-2.69,;-6.67,-1.93,;-8,-2.69,;-9.34,-1.93,;-9.34,-.38,;-8,.38,;-6.67,-.38,;-5.33,.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cncc(F)c1 |r,wU:6.5,wD:9.12,(-8.67,-2.69,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;4.67,1.93,;6,2.69,;7.34,1.93,;7.34,.38,;8.67,-.39,;6,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cncc(O)c1 |r,wU:6.5,wD:9.12,(-8.67,-2.69,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;.67,-.38,;.67,-1.93,;-.67,-2.69,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;4.67,1.93,;6,2.69,;7.34,1.93,;7.34,.38,;8.67,-.38,;6,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnccc1N |r,wU:6.5,wD:9.12,(-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-4,-.38,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;1.33,-.38,;1.33,-1.93,;,-2.69,;2.67,.38,;4,-.38,;4,-1.93,;5.33,.38,;6.67,-.38,;8,.38,;8,1.93,;6.67,2.69,;5.33,1.93,;4,2.69,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnccn1 |r,wU:6.5,wD:9.12,(-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-4,-.38,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;1.33,-.38,;1.33,-1.93,;,-2.69,;2.67,.38,;4,-.38,;4,-1.93,;5.33,.38,;5.33,1.93,;6.67,2.69,;8,1.93,;8,.38,;6.67,-.38,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cncnc1N |r,wU:6.5,wD:9.12,(-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-4,-.38,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;1.33,-.38,;1.33,-1.93,;,-2.69,;2.67,.38,;4,-.38,;4,-1.93,;5.33,.38,;6.67,-.38,;8,.38,;8,1.93,;6.67,2.69,;5.33,1.93,;4,2.69,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cncnc1O |r,wU:6.5,wD:9.12,(-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-4,-.38,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;1.33,-.38,;1.33,-1.93,;,-2.69,;2.67,.38,;4,-.38,;4,-1.93,;5.33,.38,;6.67,-.38,;8,.38,;8,1.93,;6.67,2.69,;5.33,1.93,;4,2.69,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cncs1 |r,wU:6.5,wD:9.12,(-7.85,-2.55,;-6.52,-1.78,;-5.19,-2.55,;-3.85,-1.78,;-3.85,-.24,;-2.52,-2.55,;-1.18,-1.78,;-1.18,-.24,;.15,.53,;1.48,-.24,;1.48,-1.78,;.15,-2.55,;2.82,.53,;4.15,-.24,;4.15,-1.78,;5.48,.53,;5.48,2.07,;6.95,2.55,;7.85,1.3,;6.95,.06,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]c(=O)[nH]1 |r,wU:6.5,wD:9.12,(-8.62,-2.55,;-7.29,-1.78,;-5.96,-2.55,;-4.62,-1.78,;-4.62,-.24,;-3.29,-2.55,;-1.95,-1.78,;-1.95,-.24,;-.62,.53,;.71,-.24,;.71,-1.78,;-.62,-2.55,;2.05,.53,;3.38,-.24,;3.38,-1.78,;4.71,.53,;4.71,2.07,;6.18,2.55,;7.08,1.3,;8.62,1.3,;6.18,.06,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]c2ccccc12 |r,wU:6.5,wD:9.12,(6.38,-2.99,;5.29,-4.08,;3.81,-3.68,;2.72,-4.77,;3.12,-6.25,;1.23,-4.37,;.83,-2.88,;-.66,-2.48,;-1.06,-.99,;.03,.09,;1.52,-.3,;1.92,-1.79,;-.36,1.58,;-1.85,1.98,;-2.94,.89,;-2.25,3.47,;-1.35,4.71,;-2.25,5.96,;-3.72,5.48,;-5.05,6.25,;-6.38,5.48,;-6.38,3.94,;-5.05,3.17,;-3.72,3.94,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1nc2ccc(F)cc2s1 |r,wU:6.5,wD:9.12,(9.73,-1.9,;8.19,-1.9,;7.42,-.56,;5.88,-.56,;5.11,-1.9,;5.11,.77,;3.57,.77,;2.8,-.56,;1.26,-.56,;.49,.77,;1.26,2.1,;2.8,2.1,;-1.05,.77,;-1.82,-.56,;-1.05,-1.9,;-3.36,-.56,;-4.26,-1.81,;-5.73,-1.33,;-7.06,-2.1,;-8.4,-1.33,;-8.4,.21,;-9.73,.98,;-7.06,.98,;-5.73,.21,;-4.26,.68,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1nc2ccccc2[nH]1 |r,wU:6.5,wD:9.12,(9.06,-1.9,;7.52,-1.9,;6.75,-.56,;5.21,-.56,;4.44,-1.9,;4.44,.77,;2.9,.77,;2.13,-.56,;.59,-.56,;-.18,.77,;.59,2.1,;2.13,2.1,;-1.72,.77,;-2.49,-.56,;-1.72,-1.9,;-4.03,-.56,;-4.93,-1.81,;-6.4,-1.33,;-7.73,-2.1,;-9.06,-1.33,;-9.06,.21,;-7.73,.98,;-6.4,.21,;-4.93,.68,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1nc2ccccc2s1 |r,wU:6.5,wD:9.12,(9.06,-1.9,;7.52,-1.9,;6.75,-.56,;5.21,-.56,;4.44,-1.9,;4.44,.77,;2.9,.77,;2.13,-.56,;.59,-.56,;-.18,.77,;.59,2.1,;2.13,2.1,;-1.72,.77,;-2.49,-.56,;-1.72,-1.9,;-4.03,-.56,;-4.93,-1.81,;-6.4,-1.33,;-7.73,-2.1,;-9.06,-1.33,;-9.06,.21,;-7.73,.98,;-6.4,.21,;-4.93,.68,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1nc2ccncc2s1 |r,wU:6.5,wD:9.12,(9.06,-1.9,;7.52,-1.9,;6.75,-.56,;5.21,-.56,;4.44,-1.9,;4.44,.77,;2.9,.77,;2.13,-.56,;.59,-.56,;-.18,.77,;.59,2.1,;2.13,2.1,;-1.72,.77,;-2.49,-.56,;-1.72,-1.9,;-4.03,-.56,;-4.93,.68,;-6.4,.21,;-7.73,.98,;-9.06,.21,;-9.06,-1.33,;-7.73,-2.1,;-6.4,-1.33,;-4.93,-1.81,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1nccc2ccccc12 |r,wU:6.5,wD:9.12,(5.33,4.62,;4,5.39,;2.67,4.62,;1.33,5.39,;1.33,6.93,;,4.62,;,3.08,;1.33,2.31,;1.33,.77,;;-1.33,.77,;-1.33,2.31,;,-1.54,;-1.33,-2.31,;-2.67,-1.54,;-1.33,-3.85,;,-4.62,;,-6.16,;-1.33,-6.93,;-2.67,-6.16,;-4,-6.93,;-5.33,-6.16,;-5.33,-4.62,;-4,-3.85,;-2.67,-4.62,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ncccc1O |r,wU:6.5,wD:9.12,(-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-4,-.38,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;1.33,-.38,;1.33,-1.93,;,-2.69,;2.67,.38,;4,-.38,;4,-1.93,;5.33,.38,;6.67,-.38,;8,.38,;8,1.93,;6.67,2.69,;5.33,1.93,;4,2.69,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ncccn1 |r,wU:6.5,wD:9.12,(-8,-2.69,;-6.67,-1.92,;-5.33,-2.69,;-4,-1.92,;-4,-.38,;-2.67,-2.69,;-1.33,-1.92,;-1.33,-.38,;,.39,;1.33,-.38,;1.33,-1.92,;,-2.69,;2.67,.39,;4,-.38,;4,-1.92,;5.33,.39,;6.67,-.38,;8,.39,;8,1.93,;6.67,2.69,;5.33,1.93,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1nccnc1N |r,wU:6.5,wD:9.12,(-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-4,-.38,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;1.33,-.38,;1.33,-1.93,;,-2.69,;2.67,.38,;4,-.38,;4,-1.93,;5.33,.38,;6.67,-.38,;8,.38,;8,1.93,;6.67,2.69,;5.33,1.93,;4,2.69,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1nnc[nH]1 |r,wU:6.5,wD:9.12,(-7.85,-2.55,;-6.52,-1.78,;-5.19,-2.55,;-3.85,-1.78,;-3.85,-.24,;-2.52,-2.55,;-1.18,-1.78,;-1.18,-.24,;.15,.53,;1.48,-.24,;1.48,-1.78,;.15,-2.55,;2.82,.53,;4.15,-.24,;4.15,-1.78,;5.48,.53,;5.48,2.07,;6.95,2.55,;7.85,1.3,;6.95,.06,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1noc(n1)C1CC1 |r,wU:6.5,wD:9.12,(-9.29,-2.55,;-7.96,-1.78,;-6.62,-2.55,;-5.29,-1.78,;-5.29,-.24,;-3.96,-2.55,;-2.62,-1.78,;-2.62,-.24,;-1.29,.53,;.05,-.24,;.05,-1.78,;-1.29,-2.55,;1.38,.53,;2.71,-.24,;2.71,-1.78,;4.05,.53,;4.05,2.07,;5.51,2.55,;6.42,1.3,;5.51,.06,;7.96,1.3,;9.29,.53,;9.29,2.07,)|
NCCC(=O)N[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc2NC(=O)Cc2c1 |r,wU:6.5,wD:9.12,(-9.96,1.44,;-8.62,.67,;-7.29,1.44,;-5.96,.67,;-5.96,-.87,;-4.62,1.44,;-3.29,.67,;-1.95,1.44,;-.62,.67,;-.62,-.87,;-1.95,-1.64,;-3.29,-.87,;.71,-1.64,;2.05,-.87,;1.28,.46,;2.82,-2.21,;3.38,-.1,;3.38,1.44,;4.71,2.21,;6.05,1.44,;7.51,1.91,;8.42,.67,;9.96,.67,;7.51,-.58,;6.05,-.1,;4.71,-.87,)|
NCCCC(=O)N1C2CCC1CC(C2)NC(=O)c1cc(on1)C1CC1 |TLB:4:6:11.12.13:8.9|
NCCCC(=O)N1C2CCCC1CC(C2)NC(=O)c1cc(on1)C1CC1 |TLB:4:6:13.12.14:8.9.10|
NCCCC(=O)N1CC2CCC1CC2NC(=O)c1cc(on1)C1CC1
NCCCC(=O)N1CCC(CC1)NC(=O)c1nnc[nH]1
NCCCC(=O)N1CCC(CC11CCCCC1)NC(=O)c1cc(on1)C1CC1
NCCCC(=O)N1CCC(NC(=O)c2cc(on2)C2CC2)C(C1)C(F)(F)F
NCCCC(=O)N1CCC(NC(=O)c2cc(on2)C2CC2)C(F)(F)C1
NCCCC(=O)N1CCC(NC(=O)c2cc(on2)C2CC2)C2(CC2)C1
NCCCC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1
NCCCC(=O)N1CC[C@@H](C[C@@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
NCCCC(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
NCCCC(=O)N1CC[C@@H](NC(=O)c2cc(on2)C2CC2)[C@@H](C1)c1ccccc1 |r|
NCCCC(=O)N1CC[C@H](C[C@@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
NCCCC(=O)N1CC[C@H](C[C@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
NCCCC(=O)N1CC[C@H](NC(=O)c2cc(on2)C2CC2)[C@@H](C1)c1ccccc1 |r|
NCCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1nnc[nH]1 |r,wU:7.6,wD:10.13,(8.52,-1.78,;7.19,-2.55,;5.85,-1.78,;4.52,-2.55,;3.19,-1.78,;3.19,-.24,;1.85,-2.55,;.52,-1.78,;-.82,-2.55,;-2.15,-1.78,;-2.15,-.24,;-.82,.53,;.52,-.24,;-3.48,.53,;-4.82,-.24,;-4.82,-1.78,;-6.15,.53,;-7.61,.06,;-8.52,1.3,;-7.61,2.55,;-6.15,2.07,)|
NCCCCNC(=O)c1ccc2NC(=O)Cc2c1
NCCCCS(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
NCCCN([C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1)C(=O)CCN |r,wU:8.11,wD:5.4,(6.73,3.08,;5.4,3.85,;4.07,3.08,;2.73,3.85,;1.4,3.08,;1.4,1.54,;.07,.77,;.07,-.77,;1.4,-1.54,;2.73,-.77,;2.73,.77,;1.4,-3.08,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,;.07,3.85,;.07,5.39,;-1.27,3.08,;-2.6,3.85,;-3.93,3.08,)|
NCCCN([C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1)C(=O)CCO |r,wU:8.11,wD:5.4,(6.73,3.08,;5.4,3.85,;4.07,3.08,;2.73,3.85,;1.4,3.08,;1.4,1.54,;.07,.77,;.07,-.77,;1.4,-1.54,;2.73,-.77,;2.73,.77,;1.4,-3.08,;.07,-3.85,;.07,-5.39,;-1.27,-3.08,;-2.51,-3.99,;-3.76,-3.08,;-3.28,-1.62,;-1.74,-1.62,;-5.25,-3.48,;-6.73,-3.08,;-6.34,-4.57,;.07,3.85,;.07,5.39,;-1.27,3.08,;-2.6,3.85,;-3.93,3.08,)|
NCCCN1CCC(CC1)NC(=O)c1cc(on1)C1CC1
NCCCN[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,(9.4,2.27,;8.07,1.5,;6.73,2.27,;5.4,1.5,;4.07,2.27,;2.73,1.5,;2.73,-.04,;1.4,-.81,;.07,-.04,;.07,1.5,;1.4,2.27,;-1.27,-.81,;-2.6,-.04,;-2.6,1.5,;-3.93,-.81,;-5.18,.1,;-6.43,-.81,;-5.95,-2.27,;-4.41,-2.27,;-7.91,-.41,;-9,.68,;-9.4,-.81,)|
NCCCNc1ccc(cn1)S(=O)(=O)C12CC3CC(CC(C1)N23)NC(=O)c1cc(on1)C1CC1
NCCCNc1ncccc1S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:11:14:21.20.22:16.18.17|
NCCCS(=O)(=O)C12CC3CC(CC(C1)N23)NC(=O)c1cc(on1)C1CC1
NCCCS(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
NCCCS(=O)(=O)N1CCC(CC1)NC(=O)c1cc2CC(=O)Nc2cc1Cl
NCCCS(=O)(=O)N1CCC(CC1)NC(=O)c1ccc2NC(=O)Cc2c1
NCCCS(=O)(=O)N1CCC(CC11CCC1)NC(=O)c1cc(on1)C1CC1
NCCCS(=O)(=O)N1CCC(C[C@@H]1c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
NCCCS(=O)(=O)N1CCC(C[C@H]1c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
NCCCS(=O)(=O)N1CCC(NC(=O)c2cc(on2)C2CC2)C(C1)c1ccccc1
NCCCS(=O)(=O)N1CC[C@@H](C[C@@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
NCCCS(=O)(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
NCCCS(=O)(=O)N1CC[C@H](C[C@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
NCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:4:7:14.13.12:10.9|
NCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:4:7:14.13.12:10.9|
NCCCS(=O)(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.7,wD:11.14,(10.07,1.22,;8.73,.45,;7.4,1.22,;6.07,.45,;4.73,1.22,;5.5,2.55,;3.96,-.11,;3.4,1.99,;2.07,1.22,;2.07,-.32,;.73,-1.09,;-.6,-.32,;-.6,1.22,;.73,1.99,;-1.93,-1.09,;-3.27,-.32,;-3.27,1.22,;-4.6,-1.09,;-5.85,-.18,;-7.09,-1.09,;-6.62,-2.55,;-5.08,-2.55,;-8.58,-.69,;-9.67,.4,;-10.07,-1.09,)|
NCCNCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:12.13:16.17.15|
NCCNCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:6:9:12.11:15.14.16|
NCCN[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.10,wD:4.3,(8.73,1.5,;7.4,2.27,;6.07,1.5,;4.73,2.27,;3.4,1.5,;2.07,2.27,;.73,1.5,;.73,-.04,;2.07,-.81,;3.4,-.04,;-.6,-.81,;-1.93,-.04,;-1.93,1.5,;-3.27,-.81,;-4.51,.1,;-5.76,-.81,;-5.28,-2.27,;-3.74,-2.27,;-7.25,-.41,;-8.34,.68,;-8.73,-.81,)|
NCCNc1ccc(cn1)S(=O)(=O)C12CC3CC(CC(C1)N23)NC(=O)c1cc(on1)C1CC1
NCCNc1ncccc1S(=O)(=O)C12CC3CC(CC(C1)N23)NC(=O)c1cc(on1)C1CC1
NCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1
NCCS(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
NCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:3:6:13.12.11:9.8|
NCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:3:6:13.12.11:9.8|
NCCS(=O)(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:7.6,wD:10.13,(-9.4,.45,;-8.07,1.22,;-6.73,.45,;-5.4,1.22,;-6.17,2.55,;-4.63,-.11,;-4.07,1.99,;-2.73,1.22,;-1.4,1.99,;-.07,1.22,;-.07,-.32,;-1.4,-1.09,;-2.73,-.32,;1.27,-1.09,;2.6,-.32,;2.6,1.22,;3.93,-1.09,;5.18,-.18,;6.43,-1.09,;5.95,-2.55,;4.41,-2.55,;7.91,-.69,;9.4,-1.09,;9,.4,)|
NCCc1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17|
NC[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NC[C@@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NC[C@@H](Cc1ccc(O)c(c1)C(F)(F)F)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NC[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NC[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NC[C@@H](O)CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.7,wD:11.14,2.2,(10.07,-1.5,;8.73,-2.27,;7.4,-1.5,;7.4,.04,;6.07,-2.27,;4.73,-1.5,;4.73,.04,;3.4,-2.27,;2.07,-1.5,;.73,-2.27,;-.6,-1.5,;-.6,.04,;.73,.81,;2.07,.04,;-1.93,.81,;-3.27,.04,;-3.27,-1.5,;-4.6,.81,;-5.85,-.1,;-7.09,.81,;-6.62,2.27,;-5.08,2.27,;-8.58,.41,;-10.07,.81,;-9.67,-.68,)|
NC[C@H](Cc1ccc(O)c(Cl)c1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NC[C@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NC[C@H](Cc1ccc(O)c(c1)C(F)(F)F)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NC[C@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NC[C@H](Cc1ccccc1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
NC[C@H](O)CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.7,2.2,wD:11.14,(10.07,-1.5,;8.73,-2.27,;7.4,-1.5,;7.4,.04,;6.07,-2.27,;4.73,-1.5,;4.73,.04,;3.4,-2.27,;2.07,-1.5,;.73,-2.27,;-.6,-1.5,;-.6,.04,;.73,.81,;2.07,.04,;-1.93,.81,;-3.27,.04,;-3.27,-1.5,;-4.6,.81,;-5.85,-.1,;-7.09,.81,;-6.62,2.27,;-5.08,2.27,;-8.58,.41,;-10.07,.81,;-9.67,-.68,)|
NC[C@H]1CC[C@@H](CC1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:5.8,wD:2.1,(68.52,-54.04,;68.53,-52.5,;67.2,-51.72,;67.21,-50.18,;65.88,-49.39,;64.55,-50.16,;64.53,-51.71,;65.86,-52.48,;63.21,-49.38,;62.43,-48.04,;63.98,-48.04,;61.88,-50.15,;60.55,-49.37,;59.22,-50.15,;59.22,-51.69,;60.55,-52.45,;61.88,-51.69,;57.89,-52.46,;56.55,-51.7,;56.55,-50.16,;55.22,-52.47,;55.07,-54,;53.56,-54.32,;52.79,-52.99,;53.82,-51.84,;52.94,-55.73,;51.7,-56.64,;53.11,-57.26,)|
NCc1ccc(NC(=O)c2ccc(O)nn2)cc1
NCc1ccc(c(Cl)c1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17|
NCc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
NCc1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:14.13:18.17.16|
N[C@@H](CN1CCC(CC1)NC(=O)c1cc(on1)C1CC1)Cc1ccc(O)cc1 |r|
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CC1)NC(=O)c1ccc2NC(=O)Cc2c1 |r|
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CNC(=O)c2ccc3NC(=O)Cc3c2)CC1 |r|
N[C@@H](Cc1ccc(O)c(Br)c1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)NC(=O)c1ccc2CC(=O)Nc2c1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)NC(=O)c1ccc2NC(=O)Cc2c1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CNC(=O)c2ccc3NC(=O)Cc3c2)CC1 |r|
N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
N[C@@H]1CCC[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:5.7,10.10,1.0,wD:13.17,(-10.07,-.35,;-8.73,-1.12,;-8.73,-2.66,;-7.4,-3.43,;-6.07,-2.66,;-6.07,-1.12,;-7.4,-.35,;-4.73,-.35,;-4.73,1.19,;-3.4,-1.12,;-2.07,-.35,;-2.07,1.19,;-.73,1.96,;.6,1.19,;.6,-.35,;-.73,-1.12,;1.93,1.96,;3.27,1.19,;3.27,-.35,;4.6,1.96,;5.85,1.06,;7.09,1.96,;6.62,3.43,;5.08,3.43,;8.58,1.56,;9.67,.48,;10.07,1.96,)|
N[C@@H]1CC[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:9.9,4.6,1.0,wD:12.16,(10.06,1.14,;8.57,1.54,;8.09,3,;6.55,3,;6.08,1.54,;7.32,.63,;4.74,.77,;4.74,-.77,;3.41,1.54,;2.08,.77,;2.08,-.77,;.74,-1.54,;-.59,-.77,;-.59,.77,;.74,1.54,;-1.92,-1.54,;-3.26,-.77,;-3.26,.77,;-4.59,-1.54,;-5.84,-.63,;-7.08,-1.54,;-6.61,-3,;-5.07,-3,;-8.57,-1.14,;-9.66,-.05,;-10.06,-1.54,)|
N[C@@H]1CC[C@H](C1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
N[C@H](CN1CCC(CC1)NC(=O)c1cc(on1)C1CC1)Cc1ccc(O)cc1 |r|
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
N[C@H]1CCC(CC1)C(=O)C1CCC(NC(=O)c2cc(on2)C2CC2)C2(CC2)C1 |r,wU:1.0,(-6.67,5.78,;-5.34,5,;-4.01,5.78,;-2.67,5,;-2.67,3.47,;-4.01,2.69,;-5.34,3.47,;-1.34,2.69,;-.01,3.47,;-1.34,1.15,;-.01,.38,;-.01,-1.15,;-1.34,-1.93,;-1.34,-3.47,;-.01,-4.23,;-.01,-5.78,;1.33,-3.47,;2.79,-3.94,;3.7,-2.69,;2.79,-1.45,;1.33,-1.93,;5.19,-3.09,;6.27,-4.18,;6.67,-2.69,;-2.67,-1.15,;-4.21,-1.15,;-3.44,-2.49,;-2.67,.38,)|
N[C@H]1CCC(CC1)NC(=O)[C@H]1Cc2ccccc2CN1 |r,wU:10.10,1.0,(6.67,-2.69,;5.33,-1.93,;4,-2.69,;2.67,-1.93,;2.67,-.38,;4,.38,;5.33,-.38,;1.33,.38,;,-.38,;,-1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-6.67,.38,;-6.67,1.93,;-5.33,2.69,;-4,1.93,;-2.67,2.69,;-1.33,1.93,)|
N[C@H]1CCC[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:5.7,10.10,wD:13.17,1.0,(-10.07,-.35,;-8.73,-1.12,;-8.73,-2.66,;-7.4,-3.43,;-6.07,-2.66,;-6.07,-1.12,;-7.4,-.35,;-4.73,-.35,;-4.73,1.19,;-3.4,-1.12,;-2.07,-.35,;-2.07,1.19,;-.73,1.96,;.6,1.19,;.6,-.35,;-.73,-1.12,;1.93,1.96,;3.27,1.19,;3.27,-.35,;4.6,1.96,;5.85,1.06,;7.09,1.96,;6.62,3.43,;5.08,3.43,;8.58,1.56,;9.67,.48,;10.07,1.96,)|
N[C@H]1CC[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:9.9,4.6,wD:12.16,1.0,(10.06,1.14,;8.57,1.54,;8.09,3,;6.55,3,;6.08,1.54,;7.32,.63,;4.74,.77,;4.74,-.77,;3.41,1.54,;2.08,.77,;2.08,-.77,;.74,-1.54,;-.59,-.77,;-.59,.77,;.74,1.54,;-1.92,-1.54,;-3.26,-.77,;-3.26,.77,;-4.59,-1.54,;-5.84,-.63,;-7.08,-1.54,;-6.61,-3,;-5.07,-3,;-8.57,-1.14,;-9.66,-.05,;-10.06,-1.54,)|
N[C@H]1CC[C@@H](CC1)C(=O)C1CCC(CC1c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r,wU:4.7,wD:1.0,(5.34,5.78,;5.34,4.23,;4.01,3.47,;4.01,1.93,;5.34,1.15,;6.67,1.93,;6.67,3.47,;5.34,-.38,;6.67,-1.15,;4.01,-1.15,;2.67,-.38,;1.34,-1.15,;1.34,-2.69,;2.67,-3.47,;4.01,-2.69,;5.34,-3.47,;5.34,-5,;6.67,-5.78,;8.01,-5,;8.01,-3.47,;6.67,-2.69,;.01,-3.47,;-1.33,-2.69,;-1.33,-1.15,;-2.66,-3.47,;-4.13,-2.99,;-5.03,-4.23,;-4.13,-5.48,;-2.66,-5,;-6.52,-3.84,;-7.61,-2.75,;-8.01,-4.23,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1C2CCC1CC(C2)NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,wD:4.7,TLB:7:9:14.15.16:11.12,(-8.26,-4,;-7.49,-2.66,;-8.26,-1.33,;-7.49,0,;-5.95,0,;-5.18,-1.33,;-5.95,-2.66,;-5.18,1.34,;-5.95,2.67,;-3.64,1.34,;-3,3.06,;-4.21,2.11,;-4.21,.57,;-3,-.4,;-1.5,-.06,;-.83,1.33,;-1.5,2.72,;.71,1.33,;1.48,2.66,;.71,4,;3.02,2.66,;3.93,1.42,;5.39,1.89,;5.39,3.43,;3.93,3.91,;6.72,1.12,;7.49,-.21,;8.26,1.12,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1C2CCCC1CC(C2)NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,wD:4.7,TLB:7:9:16.15.17:11.12.13,(9.71,.73,;8.22,1.13,;7.13,.04,;5.64,.44,;5.24,1.93,;6.33,3.02,;7.82,2.62,;3.76,2.32,;3.36,3.81,;2.31,.51,;.97,1.28,;2.31,2.05,;3.64,1.28,;3.64,-.26,;2.31,-1.03,;.97,-1.8,;-.36,-1.03,;-.36,.51,;-1.69,-1.8,;-3.03,-1.03,;-3.03,.51,;-4.36,-1.8,;-5.83,-1.32,;-6.73,-2.57,;-5.83,-3.81,;-4.36,-3.34,;-8.22,-2.17,;-9.31,-1.08,;-9.71,-2.57,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CC2CC1CC2NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,wD:4.7,(9.34,-1.3,;8.01,-.53,;6.67,-1.3,;5.34,-.53,;5.34,1.01,;6.67,1.78,;8.01,1.01,;4.01,1.78,;4.01,3.32,;2.67,1.01,;2.67,-.53,;1.34,-1.3,;.94,.19,;1.34,1.78,;.01,1.01,;.01,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CC2CCC1CC2NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,wD:4.7,(9.34,-1.3,;8.01,-.53,;6.67,-1.3,;5.34,-.53,;5.34,1.01,;6.67,1.78,;8.01,1.01,;4.01,1.78,;4.01,3.32,;2.67,1.01,;2.67,-.53,;1.34,-1.3,;.57,-.33,;.57,.81,;1.34,1.78,;.01,1.01,;.01,-.53,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,wD:4.7,(9.34,-1.3,;8.01,-.53,;6.67,-1.3,;5.34,-.53,;5.34,1.01,;6.67,1.78,;8.01,1.01,;4.01,1.78,;4.01,3.32,;2.67,1.01,;2.67,-.53,;1.34,-1.3,;.01,-.53,;.01,1.01,;1.34,1.78,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC1)NC(=O)c1nnc[nH]1 |r,wU:1.0,wD:4.7,(7.85,-1.3,;6.52,-.53,;5.19,-1.3,;3.85,-.53,;3.85,1.01,;5.19,1.78,;6.52,1.01,;2.52,1.78,;2.52,3.32,;1.18,1.01,;1.18,-.53,;-.15,-1.3,;-1.48,-.53,;-1.48,1.01,;-.15,1.78,;-2.82,-1.3,;-4.15,-.53,;-4.15,1.01,;-5.48,-1.3,;-5.48,-2.84,;-6.95,-3.32,;-7.85,-2.07,;-6.95,-.83,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC11CCC1)NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,wD:4.7,(-6.84,-6.39,;-6.44,-4.9,;-7.53,-3.81,;-7.13,-2.32,;-5.65,-1.93,;-4.56,-3.01,;-4.96,-4.5,;-5.25,-.44,;-6.34,.65,;-3.76,-.04,;-3.36,1.45,;-1.88,1.85,;-.79,.76,;-1.18,-.73,;-2.67,-1.13,;-4.01,-1.9,;-3.24,-3.23,;-1.9,-2.46,;.7,1.16,;1.1,2.64,;.01,3.73,;2.59,3.04,;3.49,4.29,;4.96,3.81,;4.96,2.27,;3.49,1.8,;6.05,4.9,;7.53,5.3,;6.44,6.39,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,wD:4.7,(9.34,,;8.01,.77,;6.67,,;5.34,.77,;5.34,2.31,;6.67,3.08,;8.01,2.31,;4.01,3.08,;4.01,4.62,;2.67,2.31,;1.34,3.08,;.01,2.31,;.01,.77,;1.34,,;2.67,.77,;4.01,,;4.01,-1.54,;2.67,-2.31,;2.67,-3.85,;4.01,-4.62,;5.34,-3.85,;5.34,-2.31,;-1.33,,;-2.66,.77,;-2.66,2.31,;-4,,;-5.46,.48,;-6.37,-.77,;-5.46,-2.02,;-4,-1.54,;-7.85,-.37,;-8.94,.72,;-9.34,-.77,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CCC(C[C@@H]1c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r,wU:14.16,4.7,wD:1.0,(5.34,5.77,;5.34,4.23,;4.01,3.46,;4.01,1.92,;5.34,1.15,;6.67,1.92,;6.67,3.46,;5.34,-.39,;6.67,-1.16,;4.01,-1.16,;2.67,-.39,;1.34,-1.16,;1.34,-2.7,;2.67,-3.47,;4.01,-2.7,;5.34,-3.47,;5.34,-5,;6.67,-5.77,;8.01,-5,;8.01,-3.47,;6.67,-2.69,;.01,-3.47,;-1.33,-2.7,;-1.33,-1.16,;-2.66,-3.47,;-4.13,-2.99,;-5.03,-4.24,;-4.13,-5.48,;-2.66,-5.01,;-6.52,-3.84,;-7.61,-2.75,;-8.01,-4.24,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CCC(C[C@H]1c1ccccc1)NC(=O)c1cc(on1)C1CC1 |r,wU:4.7,wD:14.16,1.0,(5.34,5.77,;5.34,4.23,;4.01,3.46,;4.01,1.92,;5.34,1.15,;6.67,1.92,;6.67,3.46,;5.34,-.39,;6.67,-1.16,;4.01,-1.16,;2.67,-.39,;1.34,-1.16,;1.34,-2.7,;2.67,-3.47,;4.01,-2.7,;5.34,-3.47,;5.34,-5,;6.67,-5.77,;8.01,-5,;8.01,-3.47,;6.67,-2.69,;.01,-3.47,;-1.33,-2.7,;-1.33,-1.16,;-2.66,-3.47,;-4.13,-2.99,;-5.03,-4.24,;-4.13,-5.48,;-2.66,-5.01,;-6.52,-3.84,;-7.61,-2.75,;-8.01,-4.24,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CCC(NC(=O)c2cc(on2)C2CC2)C(C1)C(F)(F)F |r,wU:1.0,wD:4.7,(-8.67,-.15,;-7.34,.62,;-7.34,2.16,;-6.01,2.93,;-4.67,2.16,;-4.67,.62,;-6.01,-.15,;-3.34,2.93,;-3.34,4.47,;-2.01,2.16,;-2.01,.62,;-.67,-.15,;.66,.62,;2,-.15,;2,-1.69,;.66,-2.46,;3.33,-2.46,;4.79,-1.98,;5.7,-3.23,;4.79,-4.47,;3.33,-4,;7.19,-2.83,;8.67,-3.23,;8.28,-1.74,;.66,2.16,;-.67,2.93,;2,2.93,;3.33,2.16,;2,4.47,;3.33,3.7,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CCC(NC(=O)c2cc(on2)C2CC2)C(C1)c1ccccc1 |r,wU:1.0,wD:4.7,(-8.67,-.53,;-7.34,.24,;-7.34,1.78,;-6.01,2.55,;-4.67,1.78,;-4.67,.24,;-6.01,-.53,;-3.34,2.55,;-3.34,4.09,;-2.01,1.78,;-2.01,.24,;-.67,-.53,;.66,.24,;2,-.53,;2,-2.07,;.66,-2.84,;3.33,-2.84,;4.79,-2.37,;5.7,-3.61,;4.79,-4.86,;3.33,-4.38,;7.19,-3.21,;8.67,-3.61,;8.28,-2.12,;.66,1.78,;-.67,2.55,;2,2.55,;3.33,1.78,;4.66,2.55,;4.66,4.09,;3.33,4.86,;2,4.09,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CCC(NC(=O)c2cc(on2)C2CC2)C(F)(F)C1 |r,wU:1.0,wD:4.7,(-9.34,-1.3,;-8.01,-.53,;-8.01,1.01,;-6.67,1.78,;-5.34,1.01,;-5.34,-.53,;-6.67,-1.3,;-4.01,1.78,;-4.01,3.32,;-2.67,1.01,;-2.67,-.53,;-1.34,-1.3,;-.01,-.53,;1.33,-1.3,;2.66,-.53,;2.66,1.01,;4,-1.3,;5.46,-.83,;6.37,-2.07,;5.46,-3.32,;4,-2.84,;7.85,-1.67,;9.34,-2.07,;8.94,-.58,;-.01,1.01,;1.53,1.01,;.76,2.34,;-1.34,1.78,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H](C[C@@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r,wU:12.24,14.16,1.0,wD:4.7,(9.34,,;8.01,.77,;6.67,,;5.34,.77,;5.34,2.31,;6.67,3.08,;8.01,2.31,;4.01,3.08,;4.01,4.62,;2.67,2.31,;1.34,3.08,;.01,2.31,;.01,.77,;1.34,,;2.67,.77,;4.01,,;4.01,-1.54,;2.67,-2.31,;2.67,-3.85,;4.01,-4.62,;5.34,-3.85,;5.34,-2.31,;-1.33,,;-2.66,.77,;-2.66,2.31,;-4,,;-5.46,.48,;-6.37,-.77,;-5.46,-2.02,;-4,-1.54,;-7.85,-.37,;-8.94,.72,;-9.34,-.77,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r,wU:12.24,1.0,wD:4.7,14.16,(9.34,,;8.01,.77,;6.67,,;5.34,.77,;5.34,2.31,;6.67,3.08,;8.01,2.31,;4.01,3.08,;4.01,4.62,;2.67,2.31,;1.34,3.08,;.01,2.31,;.01,.77,;1.34,,;2.67,.77,;4.01,,;4.01,-1.54,;2.67,-2.31,;2.67,-3.85,;4.01,-4.62,;5.34,-3.85,;5.34,-2.31,;-1.33,,;-2.66,.77,;-2.66,2.31,;-4,,;-5.46,.48,;-6.37,-.77,;-5.46,-2.02,;-4,-1.54,;-7.85,-.37,;-8.94,.72,;-9.34,-.77,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H](NC(=O)c2cc(on2)C2CC2)[C@H](CO)C1 |r,wU:1.0,24.27,wD:4.7,12.13,(-8.67,-.15,;-7.34,.62,;-7.34,2.16,;-6.01,2.93,;-4.67,2.16,;-4.67,.62,;-6.01,-.15,;-3.34,2.93,;-3.34,4.47,;-2.01,2.16,;-2.01,.62,;-.67,-.15,;.66,.62,;2,-.15,;2,-1.69,;.66,-2.46,;3.33,-2.46,;4.79,-1.98,;5.7,-3.23,;4.79,-4.47,;3.33,-4,;7.19,-2.83,;8.67,-3.23,;8.28,-1.74,;.66,2.16,;2,2.93,;3.33,2.16,;-.67,2.93,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H](C[C@@H]1CO)NC(=O)c1cc(on1)C1CC1 |r,wU:14.16,1.0,wD:12.18,4.7,(9.34,-1.3,;8.01,-.53,;6.67,-1.3,;5.34,-.53,;5.34,1.01,;6.67,1.78,;8.01,1.01,;4.01,1.78,;4.01,3.32,;2.67,1.01,;1.34,1.78,;.01,1.01,;.01,-.53,;1.34,-1.3,;2.67,-.53,;4.01,-1.3,;4.01,-2.84,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H](C[C@@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r,wU:14.16,1.0,wD:12.24,4.7,(9.34,,;8.01,.77,;6.67,,;5.34,.77,;5.34,2.31,;6.67,3.08,;8.01,2.31,;4.01,3.08,;4.01,4.62,;2.67,2.31,;1.34,3.08,;.01,2.31,;.01,.77,;1.34,,;2.67,.77,;4.01,,;4.01,-1.54,;2.67,-2.31,;2.67,-3.85,;4.01,-4.62,;5.34,-3.85,;5.34,-2.31,;-1.33,,;-2.66,.77,;-2.66,2.31,;-4,,;-5.46,.48,;-6.37,-.77,;-5.46,-2.02,;-4,-1.54,;-7.85,-.37,;-8.94,.72,;-9.34,-.77,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H](C[C@H]1CO)NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,wD:12.18,4.7,14.16,(9.34,-1.3,;8.01,-.53,;6.67,-1.3,;5.34,-.53,;5.34,1.01,;6.67,1.78,;8.01,1.01,;4.01,1.78,;4.01,3.32,;2.67,1.01,;1.34,1.78,;.01,1.01,;.01,-.53,;1.34,-1.3,;2.67,-.53,;4.01,-1.3,;4.01,-2.84,;-1.33,-1.3,;-2.66,-.53,;-2.66,1.01,;-4,-1.3,;-5.46,-.83,;-6.37,-2.07,;-5.46,-3.32,;-4,-2.84,;-7.85,-1.67,;-8.94,-.58,;-9.34,-2.07,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H](C[C@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,wD:12.24,4.7,14.16,(9.34,,;8.01,.77,;6.67,,;5.34,.77,;5.34,2.31,;6.67,3.08,;8.01,2.31,;4.01,3.08,;4.01,4.62,;2.67,2.31,;1.34,3.08,;.01,2.31,;.01,.77,;1.34,,;2.67,.77,;4.01,,;4.01,-1.54,;2.67,-2.31,;2.67,-3.85,;4.01,-4.62,;5.34,-3.85,;5.34,-2.31,;-1.33,,;-2.66,.77,;-2.66,2.31,;-4,,;-5.46,.48,;-6.37,-.77,;-5.46,-2.02,;-4,-1.54,;-7.85,-.37,;-8.94,.72,;-9.34,-.77,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H](NC(=O)c2cc(on2)C2CC2)[C@@H](CO)C1 |r,wU:1.0,12.13,wD:4.7,24.27,(-8.67,-.15,;-7.34,.62,;-7.34,2.16,;-6.01,2.93,;-4.67,2.16,;-4.67,.62,;-6.01,-.15,;-3.34,2.93,;-3.34,4.47,;-2.01,2.16,;-2.01,.62,;-.67,-.15,;.66,.62,;2,-.15,;2,-1.69,;.66,-2.46,;3.33,-2.46,;4.79,-1.98,;5.7,-3.23,;4.79,-4.47,;3.33,-4,;7.19,-2.83,;8.67,-3.23,;8.28,-1.74,;.66,2.16,;2,2.93,;3.33,2.16,;-.67,2.93,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H](NC(=O)c2cc(on2)C2CC2)[C@H](CO)C1 |r,wU:1.0,24.27,12.13,wD:4.7,(-8.67,-.15,;-7.34,.62,;-7.34,2.16,;-6.01,2.93,;-4.67,2.16,;-4.67,.62,;-6.01,-.15,;-3.34,2.93,;-3.34,4.47,;-2.01,2.16,;-2.01,.62,;-.67,-.15,;.66,.62,;2,-.15,;2,-1.69,;.66,-2.46,;3.33,-2.46,;4.79,-1.98,;5.7,-3.23,;4.79,-4.47,;3.33,-4,;7.19,-2.83,;8.67,-3.23,;8.28,-1.74,;.66,2.16,;2,2.93,;3.33,2.16,;-.67,2.93,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:13.14,10.10,1.0,wD:15.19,4.7,TLB:7:9:16.15.14:12.11,(-8.26,-4,;-7.49,-2.66,;-8.27,-1.33,;-7.49,.01,;-5.95,0,;-5.18,-1.33,;-5.95,-2.66,;-5.18,1.34,;-5.95,2.67,;-3.64,1.34,;-3,-.4,;-4.21,.56,;-4.2,2.1,;-3,3.06,;-1.5,2.72,;-.83,1.33,;-1.5,-.06,;.71,1.33,;1.48,2.66,;.71,4,;3.02,2.66,;3.93,1.42,;5.39,1.89,;5.39,3.43,;3.93,3.91,;6.73,1.12,;7.5,-.21,;8.27,1.12,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1 |r,wU:13.14,10.10,1.0,wD:15.19,4.7,TLB:7:9:12.11:16.15.14,(-8.44,-4.8,;-7.67,-3.47,;-8.44,-2.13,;-7.67,-.8,;-6.13,-.8,;-5.36,-2.13,;-6.13,-3.47,;-5.36,.53,;-6.13,1.87,;-3.82,.53,;-3.42,-1.2,;-4.62,-.24,;-4.62,1.3,;-3.42,2.26,;-1.92,1.91,;-1.25,.53,;-1.92,-.86,;.29,.53,;1.06,1.86,;.29,3.19,;2.6,1.86,;3.37,.53,;4.91,.53,;5.68,1.86,;7.19,2.18,;7.35,3.71,;8.44,4.8,;5.94,4.34,;4.91,3.19,;3.37,3.19,)|
N[C@H]1CC[C@@H](CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:15.19,13.14,10.10,1.0,wD:4.7,TLB:7:9:16.15.14:12.11,(-8.26,-4,;-7.49,-2.66,;-8.27,-1.33,;-7.49,.01,;-5.95,0,;-5.18,-1.33,;-5.95,-2.66,;-5.18,1.34,;-5.95,2.67,;-3.64,1.34,;-3,-.4,;-4.21,.56,;-4.2,2.1,;-3,3.06,;-1.5,2.72,;-.83,1.33,;-1.5,-.06,;.71,1.33,;1.48,2.66,;.71,4,;3.02,2.66,;3.93,1.42,;5.39,1.89,;5.39,3.43,;3.93,3.91,;6.73,1.12,;7.5,-.21,;8.27,1.12,)|
N[C@H]1CC[C@@H](CC1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:10.10,1.0,wD:4.7,13.17,(-10.07,-3.43,;-8.73,-2.66,;-8.73,-1.12,;-7.4,-.35,;-6.07,-1.12,;-6.07,-2.66,;-7.4,-3.43,;-4.73,-.35,;-4.73,1.19,;-3.4,-1.12,;-2.07,-.35,;-2.07,1.19,;-.73,1.96,;.6,1.19,;.6,-.35,;-.73,-1.12,;1.93,1.96,;3.27,1.19,;3.27,-.35,;4.6,1.96,;5.85,1.06,;7.09,1.96,;6.62,3.43,;5.08,3.43,;8.58,1.56,;9.67,.48,;10.07,1.96,)|
N[C@H]1CC[C@@H](CC1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ncn[nH]1 |r,wU:10.10,1.0,wD:13.17,4.7,(-8.52,-3.7,;-7.19,-2.93,;-7.19,-1.39,;-5.85,-.62,;-4.52,-1.39,;-4.52,-2.93,;-5.85,-3.7,;-3.19,-.62,;-3.19,.92,;-1.85,-1.39,;-.52,-.62,;-.52,.92,;.82,1.69,;2.15,.92,;2.15,-.62,;.82,-1.39,;3.48,1.69,;4.82,.92,;4.82,-.62,;6.15,1.69,;6.15,3.23,;7.61,3.7,;8.52,2.46,;7.61,1.21,)|
N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc2NC(=O)Cc2c1 |r,wU:1.0,wD:4.7,(-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,.38,;-3.29,-.38,;-3.29,-1.93,;-4.62,-2.69,;-1.95,.38,;-1.95,1.93,;-.62,-.38,;.71,.38,;.71,1.93,;2.05,2.69,;3.38,1.93,;4.84,2.4,;5.75,1.15,;7.29,1.15,;4.84,-.09,;3.38,.38,;2.05,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)C1=NNC(=O)CC1 |r,wU:1.0,wD:4.7,t:11,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-4.67,-.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)C1C[C@H]2C[C@@H]1C=C2 |r,wU:14.14,12.13,4.7,wD:1.0,c:17,(5.33,3.47,;4,2.69,;2.67,3.47,;1.33,2.69,;1.33,1.15,;2.67,.38,;4,1.15,;,.38,;-1.33,1.15,;-1.33,2.69,;-2.67,.38,;-2.67,-1.15,;-4,-1.93,;-4.54,-.38,;-4,1.15,;-5.33,.38,;-5.33,-1.15,)|
N[C@H]1CC[C@@H](CC1)NC(=O)CCCn1ccnc1 |r,wU:1.0,wD:4.7,(7.19,1.54,;5.85,.77,;5.85,-.77,;4.52,-1.54,;3.19,-.77,;3.19,.77,;4.52,1.54,;1.85,-1.54,;.52,-.77,;.52,.77,;-.82,-1.54,;-2.15,-.77,;-3.48,-1.54,;-4.82,-.77,;-6.28,-1.25,;-7.19,,;-6.28,1.25,;-4.82,.77,)|
N[C@H]1CC[C@@H](CC1)NC(=O)Cc1c[nH]c2ccccc12 |r,wU:1.0,wD:4.7,(6.53,-2.1,;5.04,-1.7,;3.95,-2.79,;2.46,-2.39,;2.07,-.9,;3.15,.19,;4.64,-.21,;.58,-.5,;-.51,-1.59,;-.11,-3.08,;-2,-1.19,;-2.4,.29,;-1.49,1.54,;-2.4,2.79,;-3.86,2.31,;-5.19,3.08,;-6.53,2.31,;-6.53,.77,;-5.19,-0,;-3.86,.77,)|
N[C@H]1CC[C@@H](CC1)NC(=O)Cc1c[nH]c2cccnc12 |r,wU:1.0,wD:4.7,(6.53,-2.1,;5.04,-1.7,;3.95,-2.79,;2.46,-2.39,;2.07,-.9,;3.15,.19,;4.64,-.21,;.58,-.5,;-.51,-1.59,;-.11,-3.08,;-2,-1.19,;-2.4,.29,;-1.49,1.54,;-2.4,2.79,;-3.86,2.31,;-5.19,3.08,;-6.53,2.31,;-6.53,.77,;-5.19,-0,;-3.86,.77,)|
N[C@H]1CC[C@@H](CC1)NC(=O)Cc1cc(F)cc(F)c1 |r,wU:1.0,wD:4.7,(6.67,.77,;5.33,,;5.33,-1.54,;4,-2.31,;2.67,-1.54,;2.67,,;4,.77,;1.33,-2.31,;,-1.54,;;-1.33,-2.31,;-2.67,-1.54,;-4,-2.31,;-5.33,-1.54,;-6.67,-2.31,;-5.33,,;-4,.77,;-4,2.31,;-2.67,,)|
N[C@H]1CC[C@@H](CC1)NC(=O)Cc1ccc(F)cc1 |r,wU:1.0,wD:4.7,(6.67,1.54,;5.33,.77,;5.33,-.77,;4,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;1.33,-1.54,;,-.77,;,.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-5.33,-.77,;-4,-1.54,)|
N[C@H]1CC[C@@H](CC1)NC(=O)Cc1ccc2NC(=O)Cc2c1 |r,wU:1.0,wD:4.7,(-7.96,1.54,;-6.62,.77,;-5.29,1.54,;-3.96,.77,;-3.96,-.77,;-5.29,-1.54,;-6.62,-.77,;-2.62,-1.54,;-1.29,-.77,;-1.29,.77,;.05,-1.54,;1.38,-.77,;1.38,.77,;2.71,1.54,;4.05,.77,;5.51,1.25,;6.42,,;7.96,,;5.51,-1.25,;4.05,-.77,;2.71,-1.54,)|
N[C@H]1CC[C@@H](CC1)NC(=O)Cc1cccc(c1)C(F)(F)F |r,wU:1.0,wD:4.7,(7.34,2.31,;6,1.54,;6,,;4.67,-.77,;3.33,,;3.33,1.54,;4.67,2.31,;2,-.77,;.67,,;.67,1.54,;-.67,-.77,;-2,,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-6,-.77,;-6,-2.31,;-7.34,,;-7.34,-1.54,)|
N[C@H]1CC[C@@H](CC1)NC(=O)Cc1cccnc1 |r,wU:1.0,wD:4.7,(6,1.54,;4.67,.77,;4.67,-.77,;3.33,-1.54,;2,-.77,;2,.77,;3.33,1.54,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-6,-.77,;-6,.77,;-4.67,1.54,;-3.33,.77,)|
N[C@H]1CC[C@@H](CC1)NC(=O)Cc1cncnc1 |r,wU:1.0,wD:4.7,(6,1.54,;4.67,.77,;4.67,-.77,;3.33,-1.54,;2,-.77,;2,.77,;3.33,1.54,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-4.67,-1.54,)|
N[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccnc1 |r,wU:1.0,wD:4.7,(5.85,1.54,;4.52,.77,;4.52,-.77,;3.19,-1.54,;1.85,-.77,;1.85,.77,;3.19,1.54,;.52,-1.54,;-.82,-.77,;-.82,.77,;-2.15,-1.54,;-3.48,-.77,;-4.95,-1.25,;-5.85,,;-4.95,1.25,;-3.48,.77,)|
N[C@H]1CC[C@@H](CC1)NC(=O)[C@H]1CC[C@H](N)CC1 |r,wU:10.10,1.0,wD:4.7,13.14,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-4.67,-.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)[C@H]1CCc2ccccc2N1 |r,wU:10.10,1.0,wD:4.7,(6.67,2.69,;5.33,1.93,;5.33,.38,;4,-.38,;2.67,.38,;2.67,1.93,;4,2.69,;1.33,-.38,;,.38,;,1.93,;-1.33,-.38,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-5.33,-2.69,;-6.67,-1.93,;-6.67,-.38,;-5.33,.38,;-4,-.38,;-2.67,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)[C@H]1C[C@H](O)CN1 |r,wU:1.0,12.13,wD:10.10,4.7,(5.96,2.55,;4.62,1.78,;4.62,.24,;3.29,-.53,;1.95,.24,;1.95,1.78,;3.29,2.55,;.62,-.53,;-.71,.24,;-.71,1.78,;-2.05,-.53,;-3.51,-.06,;-4.42,-1.3,;-5.96,-1.3,;-3.51,-2.55,;-2.05,-2.07,)|
N[C@H]1CC[C@@H](CC1)NC(=O)\C=C\c1c[nH]cn1 |r,wU:1.0,wD:4.7,(6.52,2.55,;5.19,1.78,;5.19,.24,;3.85,-.53,;2.52,.24,;2.52,1.78,;3.85,2.55,;1.18,-.53,;-.15,.24,;-.15,1.78,;-1.48,-.53,;-2.82,.24,;-4.15,-.53,;-4.15,-2.07,;-5.61,-2.55,;-6.52,-1.3,;-5.61,-.06,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1c[nH]c(N)n1 |r,wU:1.0,wD:4.7,(5.96,2.55,;4.62,1.78,;4.62,.24,;3.29,-.53,;1.95,.24,;1.95,1.78,;3.29,2.55,;.62,-.53,;-.71,.24,;-.71,1.78,;-2.05,-.53,;-2.05,-2.07,;-3.51,-2.55,;-4.42,-1.3,;-5.96,-1.3,;-3.51,-.06,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1c[nH]c2ccccc12 |r,wU:1.0,wD:4.7,(3.46,-5.31,;3.06,-3.82,;1.57,-3.42,;1.18,-1.94,;2.27,-.85,;3.75,-1.25,;4.15,-2.73,;1.87,.64,;.38,1.04,;-.71,-.05,;-.02,2.53,;.89,3.77,;-.02,5.02,;-1.48,4.54,;-2.82,5.31,;-4.15,4.54,;-4.15,3,;-2.82,2.23,;-1.48,3,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1c[nH]cn1 |r,wU:1.0,wD:4.7,(5.19,2.55,;3.85,1.78,;3.85,.24,;2.52,-.53,;1.18,.24,;1.18,1.78,;2.52,2.55,;-.15,-.53,;-1.48,.24,;-1.48,1.78,;-2.82,-.53,;-2.82,-2.07,;-4.28,-2.55,;-5.19,-1.3,;-4.28,-.06,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(=O)c2ccccc2o1 |r,wU:1.0,wD:4.7,(6.67,-3.47,;5.33,-2.69,;4,-3.47,;2.67,-2.69,;2.67,-1.15,;4,-.38,;5.33,-1.15,;1.33,-.38,;,-1.15,;,-2.69,;-1.33,-.38,;-1.33,1.15,;-2.67,1.93,;-2.67,3.47,;-4,1.15,;-5.33,1.93,;-6.67,1.15,;-6.67,-.38,;-5.33,-1.15,;-4,-.38,;-2.67,-1.15,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Cl)[nH]n1 |r,wU:1.0,wD:4.7,(5.96,2.55,;4.62,1.78,;4.62,.24,;3.29,-.53,;1.95,.24,;1.95,1.78,;3.29,2.55,;.62,-.53,;-.71,.24,;-.71,1.78,;-2.05,-.53,;-3.51,-.06,;-4.42,-1.3,;-5.96,-1.3,;-3.51,-2.55,;-2.05,-2.07,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(O)c2ccccc2n1 |r,wU:1.0,wD:4.7,(6.67,-3.47,;5.33,-2.69,;4,-3.47,;2.67,-2.69,;2.67,-1.15,;4,-.38,;5.33,-1.15,;1.33,-.38,;,-1.15,;,-2.69,;-1.33,-.38,;-1.33,1.15,;-2.67,1.93,;-2.67,3.47,;-4,1.15,;-5.33,1.93,;-6.67,1.15,;-6.67,-.38,;-5.33,-1.15,;-4,-.38,;-2.67,-1.15,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(O)nc2cc(F)ccc12 |r,wU:1.0,wD:4.7,(2.67,-5.78,;2.67,-4.23,;1.33,-3.47,;1.33,-1.93,;2.67,-1.15,;4,-1.93,;4,-3.47,;2.67,.38,;1.33,1.15,;,.38,;1.33,2.69,;2.67,3.47,;2.67,5,;4,5.78,;1.33,5.78,;,5,;-1.33,5.78,;-2.67,5,;-4,5.78,;-2.67,3.47,;-1.33,2.69,;,3.47,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(O)nc2ccccc12 |r,wU:1.0,wD:4.7,(2,5.78,;2,4.23,;3.33,3.47,;3.33,1.93,;2,1.15,;.67,1.93,;.67,3.47,;2,-.38,;.67,-1.15,;-.67,-.38,;.67,-2.69,;2,-3.47,;2,-5,;3.33,-5.78,;.67,-5.78,;-.67,-5,;-2,-5.78,;-3.33,-5,;-3.33,-3.47,;-2,-2.69,;-.67,-3.47,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)-n1cnnc1 |r,wU:1.0,wD:4.7,(7.19,2.69,;5.85,1.93,;5.85,.38,;4.52,-.38,;3.19,.38,;3.19,1.93,;4.52,2.69,;1.85,-.38,;.52,.38,;.52,1.93,;-.82,-.38,;-2.15,.38,;-3.48,-.38,;-3.48,-1.93,;-2.15,-2.69,;-.82,-1.93,;.52,-2.69,;-4.82,.38,;-4.82,1.93,;-6.28,2.4,;-7.19,1.15,;-6.28,-.09,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r,wU:1.0,wD:4.7,(-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,.38,;-3.29,-.38,;-3.29,-1.93,;-4.62,-2.69,;-1.95,.38,;-.62,-.38,;-.62,-1.93,;.71,.38,;2.05,-.38,;3.38,.38,;4.84,-.09,;5.75,1.15,;7.29,1.15,;4.84,2.4,;3.38,1.93,;2.05,2.69,;.71,1.93,;-.62,2.69,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2CC(=O)Nc2cn1 |r,wU:1.0,wD:4.7,(-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,.38,;-3.29,-.38,;-3.29,-1.93,;-4.62,-2.69,;-1.95,.38,;-.62,-.38,;-.62,-1.93,;.71,.38,;2.05,-.38,;3.38,.38,;4.84,-.09,;5.75,1.15,;7.29,1.15,;4.84,2.4,;3.38,1.93,;2.05,2.69,;.71,1.93,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cc(Br)ccc2nc1O |r,wU:1.0,wD:4.7,(7.34,-2.69,;6,-1.93,;4.67,-2.69,;3.33,-1.93,;3.33,-.38,;4.67,.38,;6,-.38,;2,.38,;.67,-.38,;.67,-1.93,;-.67,.38,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-6,.38,;-7.34,-.38,;-6,1.93,;-4.67,2.69,;-3.33,1.93,;-2,2.69,;-.67,1.93,;.67,2.69,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 |r,wU:1.0,wD:4.7,(7.42,.77,;5.88,.77,;5.11,-.56,;3.57,-.56,;2.8,.77,;3.57,2.1,;5.11,2.1,;1.26,.77,;.49,-.56,;1.26,-1.9,;-1.05,-.56,;-1.95,-1.81,;-3.42,-1.33,;-4.75,-2.1,;-6.09,-1.33,;-7.42,-2.1,;-6.09,.21,;-4.75,.98,;-3.42,.21,;-1.95,.68,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cc(F)ccc2[nH]1 |r,wU:1.0,wD:4.7,(7.42,.77,;5.88,.77,;5.11,-.56,;3.57,-.56,;2.8,.77,;3.57,2.1,;5.11,2.1,;1.26,.77,;.49,-.56,;1.26,-1.9,;-1.05,-.56,;-1.95,-1.81,;-3.42,-1.33,;-4.75,-2.1,;-6.09,-1.33,;-7.42,-2.1,;-6.09,.21,;-4.75,.98,;-3.42,.21,;-1.95,.68,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccc(O)c2cc1O |r,wU:1.0,wD:4.7,(-6.67,-3.47,;-5.33,-2.69,;-5.33,-1.15,;-4,-.38,;-2.67,-1.15,;-2.67,-2.69,;-4,-3.47,;-1.33,-.38,;,-1.15,;,-2.69,;1.33,-.38,;2.67,-1.15,;4,-.38,;5.33,-1.15,;6.67,-.38,;6.67,1.15,;5.33,1.93,;5.33,3.47,;4,1.15,;2.67,1.93,;1.33,1.15,;,1.93,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccccc2[nH]1 |r,wU:1.0,wD:4.7,(6.75,.77,;5.21,.77,;4.44,-.56,;2.9,-.56,;2.13,.77,;2.9,2.1,;4.44,2.1,;.59,.77,;-.18,-.56,;.59,-1.9,;-1.72,-.56,;-2.62,-1.81,;-4.09,-1.33,;-5.42,-2.1,;-6.75,-1.33,;-6.75,.21,;-5.42,.98,;-4.09,.21,;-2.62,.68,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccccc2nc1O |r,wU:1.0,wD:4.7,(6.67,-2.69,;5.33,-1.93,;4,-2.69,;2.67,-1.93,;2.67,-.38,;4,.38,;5.33,-.38,;1.33,.38,;,-.38,;,-1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-6.67,.38,;-6.67,1.93,;-5.33,2.69,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cn[nH]c2cn1 |r,wU:1.0,wD:4.7,(-6.52,-2.69,;-5.19,-1.93,;-5.19,-.38,;-3.85,.38,;-2.52,-.38,;-2.52,-1.93,;-3.85,-2.69,;-1.18,.38,;.15,-.38,;.15,-1.93,;1.48,.38,;2.82,-.38,;4.15,.38,;5.61,-.09,;6.52,1.15,;5.61,2.4,;4.15,1.93,;2.82,2.69,;1.48,1.93,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc[n+]([O-])cc1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-4.67,-.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(Cl)cc1C(F)(F)F |r,wU:1.0,wD:4.7,(6,3.47,;4.67,2.7,;4.67,1.16,;3.33,.39,;2,1.16,;2,2.7,;3.33,3.47,;.67,.39,;-.67,1.16,;-.67,2.7,;-2,.39,;-3.33,1.16,;-4.67,.39,;-4.67,-1.16,;-6,-1.93,;-3.33,-1.93,;-2,-1.16,;-.67,-1.93,;-.67,-3.47,;.67,-1.15,;.67,-2.7,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(N)cn1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-4.67,-.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(N)nc1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-4.67,-.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(O)cn1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-4.67,-.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(O)nc1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-4.67,-.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(O)nn1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-4.67,-.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(cc1)-c1ccccc1 |r,wU:1.0,wD:4.7,(7.34,3.85,;6,3.08,;6,1.54,;4.67,.77,;3.33,1.54,;3.33,3.08,;4.67,3.85,;2,.77,;.67,1.54,;.67,3.08,;-.67,.77,;-2,1.54,;-3.33,.77,;-3.33,-.77,;-2,-1.54,;-.67,-.77,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(cc1)-n1cncn1 |r,wU:1.0,wD:4.7,(7.19,3.7,;5.85,2.93,;5.85,1.39,;4.52,.62,;3.19,1.39,;3.19,2.93,;4.52,3.7,;1.85,.62,;.52,1.39,;.52,2.93,;-.82,.62,;-2.15,1.39,;-3.48,.62,;-3.48,-.92,;-2.15,-1.69,;-.82,-.92,;-4.82,-1.69,;-4.82,-3.23,;-6.28,-3.7,;-7.19,-2.46,;-6.28,-1.21,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(cc1)-n1cnnc1 |r,wU:1.0,wD:4.7,(7.19,3.7,;5.85,2.93,;5.85,1.39,;4.52,.62,;3.19,1.39,;3.19,2.93,;4.52,3.7,;1.85,.62,;.52,1.39,;.52,2.93,;-.82,.62,;-.82,-.92,;-2.15,-1.69,;-3.48,-.92,;-3.48,.62,;-2.15,1.39,;-4.82,-1.69,;-4.82,-3.23,;-6.28,-3.7,;-7.19,-2.46,;-6.28,-1.21,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(cc1)N1CCCC1 |r,wU:1.0,wD:4.7,(7.19,3.7,;5.85,2.93,;5.85,1.39,;4.52,.62,;3.19,1.39,;3.19,2.93,;4.52,3.7,;1.85,.62,;.52,1.39,;.52,2.93,;-.82,.62,;-2.15,1.39,;-3.48,.62,;-3.48,-.92,;-2.15,-1.69,;-.82,-.92,;-4.82,-1.69,;-6.28,-1.21,;-7.19,-2.46,;-6.28,-3.7,;-4.82,-3.23,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(cc1)S(N)(=O)=O |r,wU:1.0,wD:4.7,(6.67,3.36,;5.33,2.59,;5.33,1.05,;4,.28,;2.67,1.05,;2.67,2.59,;4,3.36,;1.33,.28,;,1.05,;,2.59,;-1.33,.28,;-2.67,1.05,;-4,.28,;-4,-1.26,;-2.67,-2.03,;-1.33,-1.26,;-5.33,-2.03,;-6.67,-2.8,;-6.1,-.69,;-4.56,-3.36,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2C(=O)NCc2c1 |r,wU:1.0,wD:4.7,(-6.52,-3.21,;-5.19,-2.44,;-5.19,-.9,;-3.85,-.13,;-2.52,-.9,;-2.52,-2.44,;-3.85,-3.21,;-1.18,-.13,;.15,-.9,;.15,-2.44,;1.48,-.13,;1.48,1.41,;2.82,2.18,;4.15,1.41,;5.61,1.88,;6.38,3.21,;6.52,.64,;5.61,-.61,;4.15,-.13,;2.82,-.9,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2CC(=O)Nc2c1 |r,wU:1.0,wD:4.7,(-7.29,2.7,;-5.96,1.93,;-4.62,2.7,;-3.29,1.93,;-3.29,.39,;-4.62,-.38,;-5.96,.39,;-1.95,-.38,;-.62,.39,;-.62,1.93,;.71,-.38,;.71,-1.93,;2.05,-2.7,;3.38,-1.93,;4.84,-2.4,;5.75,-1.15,;7.29,-1.15,;4.84,.09,;3.38,-.38,;2.05,.39,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2CCC(=O)Nc2c1 |r,wU:1.0,wD:4.7,(-7.34,2.69,;-6,1.93,;-4.67,2.69,;-3.33,1.93,;-3.33,.38,;-4.67,-.38,;-6,.38,;-2,-.38,;-.67,.38,;-.67,1.93,;.67,-.38,;.67,-1.93,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;6,-.38,;7.34,.38,;4.67,.38,;3.33,-.38,;2,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2CCCCc2c1 |r,wU:1.0,wD:4.7,(-6.67,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-4,-2.69,;-1.33,.38,;,-.38,;,-1.93,;1.33,.38,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;6.67,1.93,;6.67,.38,;5.33,-.38,;4,.38,;2.67,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2NC(=O)C(=O)c2c1 |r,wU:1.0,wD:4.7,(-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,.38,;-3.29,-.38,;-3.29,-1.93,;-4.62,-2.69,;-1.95,.38,;-.62,-.38,;-.62,-1.93,;.71,.38,;.71,1.93,;2.05,2.69,;3.38,1.93,;4.84,2.4,;5.75,1.15,;7.29,1.15,;4.84,-.09,;5.61,-1.42,;3.38,.38,;2.05,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2NC(=O)CCc2c1 |r,wU:1.0,wD:4.7,(-7.34,-2.69,;-6,-1.93,;-6,-.38,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-4.67,-2.69,;-2,.38,;-.67,-.38,;-.67,-1.93,;.67,.38,;.67,1.93,;2,2.69,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2NC(=O)COc2c1 |r,wU:1.0,wD:4.7,(-7.34,2.69,;-6,1.93,;-4.67,2.69,;-3.33,1.93,;-3.33,.38,;-4.67,-.38,;-6,.38,;-2,-.38,;-.67,.38,;-.67,1.93,;.67,-.38,;.67,-1.93,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;6,-.38,;4.67,.38,;3.33,-.38,;2,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2NC(=O)Cc2c1 |r,wU:1.0,wD:4.7,(-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,.38,;-3.29,-.38,;-3.29,-1.93,;-4.62,-2.69,;-1.95,.38,;-.62,-.38,;-.62,-1.93,;.71,.38,;.71,1.93,;2.05,2.69,;3.38,1.93,;4.84,2.4,;5.75,1.15,;7.29,1.15,;4.84,-.09,;3.38,.38,;2.05,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2NCC(=O)Nc2c1 |r,wU:1.0,wD:4.7,(-7.34,2.69,;-6,1.93,;-4.67,2.69,;-3.33,1.93,;-3.33,.38,;-4.67,-.38,;-6,.38,;-2,-.38,;-.67,.38,;-.67,1.93,;.67,-.38,;.67,-1.93,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;6,-.38,;7.34,.38,;4.67,.38,;3.33,-.38,;2,.39,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2OC(F)(F)Oc2c1 |r,wU:1.0,wD:4.7,(-7.19,-2.69,;-5.85,-1.93,;-5.85,-.38,;-4.52,.38,;-3.19,-.38,;-3.19,-1.93,;-4.52,-2.69,;-1.85,.38,;-.52,-.38,;-.52,-1.93,;.82,.38,;.82,1.93,;2.15,2.69,;3.48,1.93,;4.95,2.4,;5.85,1.15,;7.19,.38,;7.19,1.93,;4.95,-.09,;3.48,.38,;2.15,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2OCC(=O)Nc2c1 |r,wU:1.0,wD:4.7,(-7.34,-2.69,;-6,-1.93,;-6,-.38,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-4.67,-2.69,;-2,.38,;-.67,-.38,;-.67,-1.93,;.67,.38,;.67,1.93,;2,2.69,;3.33,1.93,;4.67,2.69,;6,1.93,;6,.38,;7.34,-.38,;4.67,-.38,;3.33,.38,;2,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2OCOc2c1 |r,wU:1.0,wD:4.7,(-6.52,-2.69,;-5.19,-1.92,;-5.19,-.38,;-3.85,.39,;-2.52,-.38,;-2.52,-1.92,;-3.85,-2.69,;-1.18,.39,;.15,-.38,;.15,-1.92,;1.48,.39,;1.48,1.93,;2.82,2.69,;4.15,1.93,;5.61,2.4,;6.52,1.16,;5.61,-.09,;4.15,.39,;2.82,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2[n+]([O-])onc2c1 |r,wU:1.0,wD:4.7,(-6.52,-3.21,;-5.19,-2.44,;-5.19,-.9,;-3.85,-.13,;-2.52,-.9,;-2.52,-2.44,;-3.85,-3.21,;-1.18,-.13,;.15,-.9,;.15,-2.44,;1.48,-.13,;1.48,1.41,;2.82,2.18,;4.15,1.41,;5.61,1.88,;6.38,3.21,;6.52,.64,;5.61,-.61,;4.15,-.13,;2.82,-.9,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 |r,wU:1.0,wD:4.7,(-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,.38,;-3.29,-.38,;-3.29,-1.93,;-4.62,-2.69,;-1.95,.38,;-.62,-.38,;-.62,-1.93,;.71,.38,;.71,1.93,;2.05,2.69,;3.38,1.93,;4.84,2.4,;5.75,1.15,;7.29,1.15,;4.84,-.09,;3.38,.38,;2.05,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2[nH]c(=O)oc2c1 |r,wU:1.0,wD:4.7,(-7.29,2.69,;-5.96,1.93,;-4.62,2.69,;-3.29,1.93,;-3.29,.38,;-4.62,-.38,;-5.96,.38,;-1.95,-.38,;-.62,.38,;-.62,1.93,;.71,-.38,;.71,-1.93,;2.05,-2.69,;3.38,-1.93,;4.84,-2.4,;5.75,-1.15,;7.29,-1.15,;4.84,.09,;3.38,-.38,;2.05,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2[nH]ccc2c1 |r,wU:1.0,wD:4.7,(-6.52,-2.69,;-5.19,-1.93,;-5.19,-.38,;-3.85,.38,;-2.52,-.38,;-2.52,-1.93,;-3.85,-2.69,;-1.18,.38,;.15,-.38,;.15,-1.93,;1.48,.38,;1.48,1.93,;2.82,2.69,;4.15,1.93,;5.61,2.4,;6.52,1.15,;5.61,-.09,;4.15,.38,;2.82,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2cc(N)ccc2c1 |r,wU:1.0,wD:4.7,(-7.34,-2.69,;-6,-1.93,;-6,-.38,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-4.67,-2.69,;-2,.38,;-.67,-.38,;-.67,-1.93,;.67,.38,;.67,1.93,;2,2.69,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2cc[nH]c2c1 |r,wU:1.0,wD:4.7,(-6.52,2.69,;-5.19,1.93,;-3.85,2.69,;-2.52,1.93,;-2.52,.38,;-3.85,-.38,;-5.19,.38,;-1.18,-.38,;.15,.38,;.15,1.93,;1.48,-.38,;1.48,-1.93,;2.82,-2.69,;4.15,-1.93,;5.61,-2.4,;6.52,-1.15,;5.61,.09,;4.15,-.38,;2.82,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccc(O)nc2c1 |r,wU:1.0,wD:4.7,(-7.34,2.69,;-6,1.93,;-4.67,2.69,;-3.33,1.93,;-3.33,.38,;-4.67,-.38,;-6,.38,;-2,-.38,;-.67,.38,;-.67,1.93,;.67,-.38,;.67,-1.93,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;6,-.38,;7.34,.38,;4.67,.38,;3.33,-.38,;2,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2n1 |r,wU:1.0,wD:4.7,(6.67,2.69,;5.33,1.93,;5.33,.38,;4,-.38,;2.67,.38,;2.67,1.93,;4,2.69,;1.33,-.38,;,.38,;,1.93,;-1.33,-.38,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-5.33,-2.69,;-6.67,-1.93,;-6.67,-.38,;-5.33,.38,;-4,-.38,;-2.67,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2cnccc2c1 |r,wU:1.0,wD:4.7,(-6.67,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-4,-2.69,;-1.33,.38,;,-.38,;,-1.93,;1.33,.38,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;6.67,1.93,;6.67,.38,;5.33,-.38,;4,.38,;2.67,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(O)ccc2c1 |r,wU:1.0,wD:4.7,(-7.34,-2.69,;-6,-1.93,;-6,-.38,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-4.67,-2.69,;-2,.38,;-.67,-.38,;-.67,-1.93,;.67,.38,;.67,1.93,;2,2.69,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(O)cnc2c1 |r,wU:1.0,wD:4.7,(-7.34,-2.69,;-6,-1.93,;-6,-.38,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-4.67,-2.69,;-2,.38,;-.67,-.38,;-.67,-1.93,;.67,.38,;.67,1.93,;2,2.69,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc[nH]c2c1 |r,wU:1.0,wD:4.7,(-6.52,2.69,;-5.19,1.93,;-3.85,2.69,;-2.52,1.93,;-2.52,.38,;-3.85,-.38,;-5.19,.38,;-1.18,-.38,;.15,.38,;.15,1.93,;1.48,-.38,;1.48,-1.93,;2.82,-2.69,;4.15,-1.93,;5.61,-2.4,;6.52,-1.15,;5.61,.09,;4.15,-.38,;2.82,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nccc(N)c2c1 |r,wU:1.0,wD:4.7,(-6.67,2.69,;-5.33,1.93,;-4,2.69,;-2.67,1.93,;-2.67,.38,;-4,-.38,;-5.33,.38,;-1.33,-.38,;,.38,;,1.93,;1.33,-.38,;1.33,-1.93,;2.67,-2.69,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;6.67,-.38,;5.33,.38,;5.33,1.93,;4,-.38,;2.67,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ncsc2c1 |r,wU:1.0,wD:4.7,(-6.52,2.69,;-5.19,1.93,;-3.85,2.69,;-2.52,1.93,;-2.52,.38,;-3.85,-.38,;-5.19,.38,;-1.18,-.38,;.15,.38,;.15,1.93,;1.48,-.38,;1.48,-1.93,;2.82,-2.69,;4.15,-1.93,;5.61,-2.4,;6.52,-1.15,;5.61,.09,;4.15,-.38,;2.82,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nonc2c1 |r,wU:1.0,wD:4.7,(-6.52,-2.69,;-5.19,-1.93,;-5.19,-.38,;-3.85,.38,;-2.52,-.38,;-2.52,-1.93,;-3.85,-2.69,;-1.18,.38,;.15,-.38,;.15,-1.93,;1.48,.38,;1.48,1.93,;2.82,2.69,;4.15,1.93,;5.61,2.4,;6.52,1.15,;5.61,-.09,;4.15,.38,;2.82,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2oc(=O)[nH]c2c1 |r,wU:1.0,wD:4.7,(-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,.38,;-3.29,-.38,;-3.29,-1.93,;-4.62,-2.69,;-1.95,.38,;-.62,-.38,;-.62,-1.93,;.71,.38,;.71,1.93,;2.05,2.69,;3.38,1.93,;4.84,2.4,;5.75,1.15,;7.29,1.15,;4.84,-.09,;3.38,.38,;2.05,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cccc(CO)c1 |r,wU:1.0,wD:4.7,(6.67,2.69,;5.33,1.93,;5.33,.38,;4,-.38,;2.67,.38,;2.67,1.93,;4,2.69,;1.33,-.38,;,.38,;,1.93,;-1.33,-.38,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-5.33,.38,;-6.67,-.38,;-2.67,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cccc(F)n1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cccc(N)n1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2NC(=O)COc12 |r,wU:1.0,wD:4.7,(-2.67,5.78,;-2.67,4.23,;-1.33,3.47,;-1.33,1.93,;-2.67,1.15,;-4,1.93,;-4,3.47,;-2.67,-.38,;-1.33,-1.15,;,-.38,;-1.33,-2.69,;-2.67,-3.47,;-2.67,-5,;-1.33,-5.78,;,-5,;1.33,-5.78,;2.67,-5,;4,-5.78,;2.67,-3.47,;1.33,-2.69,;,-3.47,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2NC(=O)Cc12 |r,wU:1.0,wD:4.7,(-2.62,-5.78,;-2.62,-4.23,;-3.96,-3.47,;-3.96,-1.93,;-2.62,-1.15,;-1.29,-1.93,;-1.29,-3.47,;-2.62,.38,;-1.29,1.15,;.05,.38,;-1.29,2.69,;-2.62,3.47,;-2.62,5,;-1.29,5.78,;.05,5,;1.51,5.48,;2.42,4.23,;3.96,4.23,;1.51,2.99,;.05,3.47,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2OC(F)(F)Oc12 |r,wU:1.0,wD:4.7,(-2.52,-5.78,;-2.52,-4.23,;-3.85,-3.47,;-3.85,-1.93,;-2.52,-1.15,;-1.18,-1.93,;-1.18,-3.47,;-2.52,.38,;-1.18,1.15,;.15,.38,;-1.18,2.69,;-2.52,3.47,;-2.52,5,;-1.18,5.78,;.15,5,;1.61,5.48,;2.52,4.23,;3.85,3.47,;3.85,5,;1.61,2.99,;.15,3.47,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2[nH]ccc12 |r,wU:1.0,wD:4.7,(-1.85,-5.78,;-1.85,-4.23,;-3.19,-3.47,;-3.19,-1.93,;-1.85,-1.15,;-.52,-1.93,;-.52,-3.47,;-1.85,.38,;-.52,1.15,;.82,.38,;-.52,2.69,;-1.85,3.47,;-1.85,5,;-.52,5.78,;.82,5,;2.28,5.48,;3.19,4.23,;2.28,2.99,;.82,3.47,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccccn1 |r,wU:1.0,wD:4.7,(5.33,2.69,;4,1.93,;4,.38,;2.67,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,-.38,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cccnc1 |r,wU:1.0,wD:4.7,(5.33,2.69,;4,1.93,;4,.38,;2.67,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,-.38,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cccnc1O |r,wU:1.0,wD:4.7,(5.33,2.69,;4,1.93,;4,.38,;2.67,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-1.33,-2.69,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc(N)c1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc(O)c1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccncc1 |r,wU:1.0,wD:4.7,(5.33,2.69,;4,1.93,;4,.38,;2.67,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ccncc1F |r,wU:1.0,wD:4.7,(5.33,2.69,;4,1.93,;4,.38,;2.67,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-1.33,-2.69,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cn(CC(N)=O)nn1 |r,wU:1.0,wD:4.7,(7.11,3.26,;5.78,2.49,;5.78,.95,;4.44,.18,;3.11,.95,;3.11,2.49,;4.44,3.26,;1.78,.18,;.44,.95,;.44,2.49,;-.89,.18,;-2.36,.65,;-3.26,-.59,;-4.8,-.59,;-5.57,-1.93,;-7.11,-1.93,;-4.8,-3.26,;-2.36,-1.84,;-.89,-1.36,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cn(nn1)C1CC1 |r,wU:1.0,wD:4.7,(6.62,2.55,;5.29,1.78,;5.29,.24,;3.96,-.53,;2.62,.24,;2.62,1.78,;3.96,2.55,;1.29,-.53,;-.05,.24,;-.05,1.78,;-1.38,-.53,;-2.84,-.06,;-3.75,-1.3,;-2.84,-2.55,;-1.38,-2.07,;-5.29,-1.3,;-6.62,-.53,;-6.62,-2.07,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cn2ccsc2n1 |r,wU:1.0,wD:4.7,(-6.6,-.67,;-5.06,-.67,;-4.29,.67,;-2.75,.67,;-1.98,-.67,;-2.75,-2,;-4.29,-2,;-.44,-.67,;.33,.67,;-.44,2,;1.87,.67,;2.77,1.91,;4.23,1.44,;5.7,1.91,;6.6,.67,;5.7,-.58,;4.23,-.1,;2.77,-.58,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cn2ncccc2n1 |r,wU:1.0,wD:4.7,(6.75,.77,;5.21,.77,;4.44,-.56,;2.9,-.56,;2.13,.77,;2.9,2.1,;4.44,2.1,;.59,.77,;-.18,-.56,;.59,-1.9,;-1.72,-.56,;-2.62,-1.81,;-4.09,-1.33,;-5.42,-2.1,;-6.75,-1.33,;-6.75,.21,;-5.42,.98,;-4.09,.21,;-2.62,.68,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2NC(=O)Cc2c1 |r,wU:1.0,wD:4.7,(-7.29,-2.69,;-5.96,-1.93,;-5.96,-.38,;-4.62,.38,;-3.29,-.38,;-3.29,-1.93,;-4.62,-2.69,;-1.95,.38,;-.62,-.38,;-.62,-1.93,;.71,.38,;.71,1.93,;2.05,2.69,;3.38,1.93,;4.84,2.4,;5.75,1.15,;7.29,1.15,;4.84,-.09,;3.38,.38,;2.05,-.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2ccccc2n1 |r,wU:1.0,wD:4.7,(6.67,2.69,;5.33,1.93,;5.33,.38,;4,-.38,;2.67,.38,;2.67,1.93,;4,2.69,;1.33,-.38,;,.38,;,1.93,;-1.33,-.38,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-5.33,-2.69,;-6.67,-1.93,;-6.67,-.38,;-5.33,.38,;-4,-.38,;-2.67,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2ncccn12 |r,wU:1.0,wD:4.7,(3.46,-5.31,;3.06,-3.82,;1.57,-3.42,;1.18,-1.94,;2.27,-.85,;3.75,-1.25,;4.15,-2.73,;1.87,.64,;.38,1.04,;-.71,-.05,;-.02,2.53,;.89,3.77,;-.02,5.02,;-1.48,4.54,;-2.82,5.31,;-4.15,4.54,;-4.15,3,;-2.82,2.23,;-1.48,3,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cncc(Br)c1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cncc(Cl)c1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cncc(F)c1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cncc(O)c1 |r,wU:1.0,wD:4.7,(6,2.69,;4.67,1.93,;4.67,.38,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.69,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-3.33,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cnccc1N |r,wU:1.0,wD:4.7,(5.33,2.7,;4,1.93,;4,.39,;2.67,-.38,;1.33,.39,;1.33,1.93,;2.67,2.7,;,-.38,;-1.33,.39,;-1.33,1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.92,;-4,-2.69,;-2.67,-1.92,;-1.33,-2.7,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cnccn1 |r,wU:1.0,wD:4.7,(5.33,2.69,;4,1.93,;4,.38,;2.67,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,-.38,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cncnc1N |r,wU:1.0,wD:4.7,(5.33,2.69,;4,1.93,;4,.38,;2.67,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-1.33,-2.69,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cncnc1O |r,wU:1.0,wD:4.7,(5.33,2.69,;4,1.93,;4,.38,;2.67,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-1.33,-2.69,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1cncs1 |r,wU:1.0,wD:4.7,(5.19,2.55,;3.85,1.78,;3.85,.24,;2.52,-.53,;1.18,.24,;1.18,1.78,;2.52,2.55,;-.15,-.53,;-1.48,.24,;-1.48,1.78,;-2.82,-.53,;-2.82,-2.07,;-4.28,-2.55,;-5.19,-1.3,;-4.28,-.06,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]c(=O)[nH]1 |r,wU:1.0,wD:4.7,(5.96,2.55,;4.62,1.78,;4.62,.24,;3.29,-.53,;1.95,.24,;1.95,1.78,;3.29,2.55,;.62,-.53,;-.71,.24,;-.71,1.78,;-2.05,-.53,;-2.05,-2.07,;-3.51,-2.55,;-4.42,-1.3,;-5.96,-1.3,;-3.51,-.06,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]c(Cl)n1 |r,wU:1.0,wD:4.7,(5.96,2.55,;4.62,1.78,;4.62,.24,;3.29,-.53,;1.95,.24,;1.95,1.78,;3.29,2.55,;.62,-.53,;-.71,.24,;-.71,1.78,;-2.05,-.53,;-2.05,-2.07,;-3.51,-2.55,;-4.42,-1.3,;-5.96,-1.3,;-3.51,-.06,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]c2ccccc12 |r,wU:1.0,wD:4.7,(3.46,-5.31,;3.06,-3.82,;1.57,-3.42,;1.18,-1.94,;2.27,-.85,;3.75,-1.25,;4.15,-2.73,;1.87,.64,;.38,1.04,;-.71,-.05,;-.02,2.53,;.89,3.77,;-.02,5.02,;-1.48,4.54,;-2.82,5.31,;-4.15,4.54,;-4.15,3,;-2.82,2.23,;-1.48,3,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1nc(I)n[nH]1 |r,wU:1.0,wD:4.7,(5.96,2.55,;4.62,1.78,;4.62,.24,;3.29,-.53,;1.95,.24,;1.95,1.78,;3.29,2.55,;.62,-.53,;-.71,.24,;-.71,1.78,;-2.05,-.53,;-3.51,-.06,;-4.42,-1.3,;-5.96,-1.3,;-3.51,-2.55,;-2.05,-2.07,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1nc(N)n[nH]1 |r,wU:1.0,wD:4.7,(5.96,2.55,;4.62,1.78,;4.62,.24,;3.29,-.53,;1.95,.24,;1.95,1.78,;3.29,2.55,;.62,-.53,;-.71,.24,;-.71,1.78,;-2.05,-.53,;-3.51,-.06,;-4.42,-1.3,;-5.96,-1.3,;-3.51,-2.55,;-2.05,-2.07,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1nc2ccc(F)cc2s1 |r,wU:1.0,wD:4.7,(7.42,.77,;5.88,.77,;5.11,-.56,;3.57,-.56,;2.8,.77,;3.57,2.1,;5.11,2.1,;1.26,.77,;.49,-.56,;1.26,-1.9,;-1.05,-.56,;-1.95,-1.81,;-3.42,-1.33,;-4.75,-2.1,;-6.09,-1.33,;-6.09,.21,;-7.42,.98,;-4.75,.98,;-3.42,.21,;-1.95,.68,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1nc2ccccc2[nH]1 |r,wU:1.0,wD:4.7,(6.75,.77,;5.21,.77,;4.44,-.56,;2.9,-.56,;2.13,.77,;2.9,2.1,;4.44,2.1,;.59,.77,;-.18,-.56,;.59,-1.9,;-1.72,-.56,;-2.62,-1.81,;-4.09,-1.33,;-5.42,-2.1,;-6.75,-1.33,;-6.75,.21,;-5.42,.98,;-4.09,.21,;-2.62,.68,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1nc2ccccc2s1 |r,wU:1.0,wD:4.7,(6.75,.77,;5.21,.77,;4.44,-.56,;2.9,-.56,;2.13,.77,;2.9,2.1,;4.44,2.1,;.59,.77,;-.18,-.56,;.59,-1.9,;-1.72,-.56,;-2.62,-1.81,;-4.09,-1.33,;-5.42,-2.1,;-6.75,-1.33,;-6.75,.21,;-5.42,.98,;-4.09,.21,;-2.62,.68,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1nc2ccncc2s1 |r,wU:1.0,wD:4.7,(6.75,.77,;5.21,.77,;4.44,-.56,;2.9,-.56,;2.13,.77,;2.9,2.1,;4.44,2.1,;.59,.77,;-.18,-.56,;.59,-1.9,;-1.72,-.56,;-2.62,.68,;-4.09,.21,;-5.42,.98,;-6.75,.21,;-6.75,-1.33,;-5.42,-2.1,;-4.09,-1.33,;-2.62,-1.81,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ncc[nH]1 |r,wU:1.0,wD:4.7,(5.19,2.55,;3.85,1.78,;3.85,.24,;2.52,-.53,;1.18,.24,;1.18,1.78,;2.52,2.55,;-.15,-.53,;-1.48,.24,;-1.48,1.78,;-2.82,-.53,;-2.82,-2.07,;-4.28,-2.55,;-5.19,-1.3,;-4.28,-.06,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1nccc2ccccc12 |r,wU:1.0,wD:4.7,(2,5.78,;2,4.23,;3.33,3.47,;3.33,1.93,;2,1.15,;.67,1.93,;.67,3.47,;2,-.38,;.67,-1.15,;-.67,-.38,;.67,-2.69,;2,-3.47,;2,-5,;.67,-5.78,;-.67,-5,;-2,-5.78,;-3.33,-5,;-3.33,-3.47,;-2,-2.69,;-.67,-3.47,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ncccc1O |r,wU:1.0,wD:4.7,(5.33,2.69,;4,1.93,;4,.38,;2.67,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-1.33,-2.69,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1ncccn1 |r,wU:1.0,wD:4.7,(5.33,2.69,;4,1.93,;4,.38,;2.67,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1nccnc1N |r,wU:1.0,wD:4.7,(5.33,2.69,;4,1.93,;4,.38,;2.67,-.38,;1.33,.38,;1.33,1.93,;2.67,2.69,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-1.33,-2.69,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1nnc[nH]1 |r,wU:1.0,wD:4.7,(5.19,2.55,;3.85,1.78,;3.85,.24,;2.52,-.53,;1.18,.24,;1.18,1.78,;2.52,2.55,;-.15,-.53,;-1.48,.24,;-1.48,1.78,;-2.82,-.53,;-2.82,-2.07,;-4.28,-2.55,;-5.19,-1.3,;-4.28,-.06,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1noc(n1)C1CC1 |r,wU:1.0,wD:4.7,(6.62,2.55,;5.29,1.78,;5.29,.24,;3.96,-.53,;2.62,.24,;2.62,1.78,;3.96,2.55,;1.29,-.53,;-.05,.24,;-.05,1.78,;-1.38,-.53,;-1.38,-2.07,;-2.84,-2.55,;-3.75,-1.3,;-2.84,-.06,;-5.29,-1.3,;-6.62,-.53,;-6.62,-2.07,)|
N[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc2NC(=O)Cc2c1 |r,wU:1.0,wD:4.7,(-7.29,1.44,;-5.96,.67,;-4.62,1.44,;-3.29,.67,;-3.29,-.87,;-4.62,-1.64,;-5.96,-.87,;-1.95,-1.64,;-.62,-.87,;-1.39,.46,;.15,-2.21,;.71,-.1,;.71,1.44,;2.05,2.21,;3.38,1.44,;4.84,1.91,;5.75,.67,;7.29,.67,;4.84,-.58,;3.38,-.1,;2.05,-.87,)|
N[C@H]1CC[C@@H](CC1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:4.7,wD:1.0,(20.36,-52.28,;19.03,-51.5,;19.04,-49.95,;17.7,-49.16,;16.37,-49.93,;16.35,-51.48,;17.68,-52.26,;15.03,-49.16,;14.26,-47.82,;15.8,-47.81,;13.7,-49.93,;12.37,-49.15,;11.04,-49.93,;11.04,-51.47,;12.37,-52.23,;13.7,-51.47,;9.71,-52.24,;8.38,-51.47,;8.38,-49.93,;7.04,-52.24,;6.89,-53.78,;5.39,-54.1,;4.61,-52.77,;5.64,-51.62,;4.77,-55.51,;3.52,-56.41,;4.93,-57.04,)|
N[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:14.15,11.11,1.0,wD:4.7,16.20,TLB:7:10:17.16.15:13.12,(-9.8,-.46,;-8.26,-.46,;-7.49,.87,;-5.95,.87,;-5.18,-.46,;-5.95,-1.8,;-7.49,-1.8,;-3.64,-.46,;-3.64,1.08,;-3.64,-2,;-2.1,-.46,;-1.46,-2.2,;-2.67,-1.24,;-2.67,.3,;-1.46,1.26,;.04,.92,;.71,-.47,;.04,-1.86,;2.25,-.47,;3.02,.86,;2.25,2.2,;4.56,.86,;5.47,-.38,;6.93,.09,;6.93,1.63,;5.47,2.11,;8.26,-.68,;9.03,-2.01,;9.8,-.68,)|
N[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r,wU:1.0,14.15,11.11,wD:4.7,16.20,TLB:7:10:13.12:17.16.15,(-9.98,-1.26,;-8.44,-1.26,;-7.67,.07,;-6.13,.07,;-5.36,-1.26,;-6.13,-2.6,;-7.67,-2.6,;-3.82,-1.26,;-3.82,-2.8,;-3.82,.28,;-2.28,-1.26,;-1.88,-3,;-3.08,-2.04,;-3.08,-.5,;-1.88,.46,;-.38,.12,;.29,-1.27,;-.38,-2.66,;1.83,-1.27,;2.6,.06,;1.83,1.4,;4.14,.06,;4.91,1.4,;6.45,1.4,;7.48,2.54,;8.89,1.91,;9.98,3,;8.73,.38,;7.22,.06,;6.45,-1.27,;4.91,-1.27,;4.14,-2.61,)|
N[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1 |r,wU:1.0,14.15,11.11,wD:4.7,16.20,TLB:7:10:13.12:17.16.15,(-9.98,-1.26,;-8.44,-1.26,;-7.67,.07,;-6.13,.07,;-5.36,-1.26,;-6.13,-2.6,;-7.67,-2.6,;-3.82,-1.26,;-3.82,-2.8,;-3.82,.28,;-2.28,-1.26,;-1.88,-3,;-3.08,-2.04,;-3.08,-.5,;-1.88,.46,;-.38,.12,;.29,-1.27,;-.38,-2.66,;1.83,-1.27,;2.6,.06,;1.83,1.4,;4.14,.06,;4.91,-1.27,;6.45,-1.27,;7.22,.06,;8.73,.38,;8.89,1.91,;9.98,3,;7.48,2.54,;6.45,1.4,;4.91,1.4,)|
N[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2OC(F)(F)Oc2c1 |r,wU:1.0,14.15,11.11,wD:4.7,16.20,TLB:7:10:13.12:17.16.15,(-10.2,-1.39,;-8.66,-1.39,;-7.89,-.05,;-6.35,-.05,;-5.58,-1.39,;-6.35,-2.72,;-7.89,-2.72,;-4.04,-1.39,;-4.04,-2.93,;-4.04,.15,;-2.5,-1.39,;-2.1,-3.12,;-3.31,-2.16,;-3.31,-.62,;-2.1,.34,;-.6,-.01,;.07,-1.39,;-.6,-2.78,;1.61,-1.39,;2.38,-.06,;1.61,1.27,;3.92,-.06,;4.69,-1.39,;6.23,-1.39,;7,-.06,;8.5,.26,;8.66,1.79,;10.2,1.79,;9.43,3.12,;7.26,2.42,;6.23,1.27,;4.69,1.27,)|
N[C@H]1CC[C@H](C1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
N[C@H]1CC[C@H](CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:13.14,10.10,4.7,1.0,wD:15.19,TLB:7:9:16.15.14:12.11,(-8.26,-4,;-7.49,-2.66,;-8.26,-1.33,;-7.49,0,;-5.95,0,;-5.18,-1.33,;-5.95,-2.66,;-5.18,1.34,;-5.95,2.67,;-3.64,1.34,;-3,-.4,;-4.21,.57,;-4.21,2.11,;-3,3.06,;-1.5,2.72,;-.83,1.33,;-1.5,-.06,;.71,1.33,;1.48,2.66,;.71,4,;3.02,2.66,;3.93,1.42,;5.39,1.89,;5.39,3.43,;3.93,3.91,;6.72,1.12,;7.49,-.21,;8.26,1.12,)|
N[C@H]1CC[C@H](CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:13.14,10.10,15.19,4.7,1.0,TLB:7:9:16.15.14:12.11,(-8.26,-4,;-7.49,-2.66,;-8.26,-1.33,;-7.49,0,;-5.95,0,;-5.18,-1.33,;-5.95,-2.66,;-5.18,1.34,;-5.95,2.67,;-3.64,1.34,;-3,-.4,;-4.21,.57,;-4.21,2.11,;-3,3.06,;-1.5,2.72,;-.83,1.33,;-1.5,-.06,;.71,1.33,;1.48,2.66,;.71,4,;3.02,2.66,;3.93,1.42,;5.39,1.89,;5.39,3.43,;3.93,3.91,;6.72,1.12,;7.49,-.21,;8.26,1.12,)|
N[C@H]1CC[C@H](CC1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:4.7,10.10,1.0,wD:13.17,(-10.07,-3.43,;-8.73,-2.66,;-8.73,-1.12,;-7.4,-.35,;-6.07,-1.12,;-6.07,-2.66,;-7.4,-3.43,;-4.73,-.35,;-4.73,1.19,;-3.4,-1.12,;-2.07,-.35,;-2.07,1.19,;-.73,1.96,;.6,1.19,;.6,-.35,;-.73,-1.12,;1.93,1.96,;3.27,1.19,;3.27,-.35,;4.6,1.96,;5.85,1.06,;7.09,1.96,;6.62,3.43,;5.08,3.43,;8.58,1.56,;9.67,.48,;10.07,1.96,)|
N[C@H]1CC[C@H](CC1)S(=O)(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:4.7,1.0,(45.34,-51.22,;44.01,-50.44,;42.67,-51.2,;41.34,-50.42,;41.35,-48.88,;42.68,-48.11,;44.02,-48.89,;40.02,-48.1,;39.24,-46.76,;40.79,-46.76,;38.69,-48.87,;37.36,-48.09,;36.03,-48.87,;36.03,-50.41,;37.36,-51.17,;38.69,-50.41,;34.69,-51.18,;33.36,-50.41,;33.36,-48.87,;32.03,-51.18,;31.88,-52.72,;30.37,-53.04,;29.6,-51.71,;30.63,-50.56,;29.75,-54.45,;28.5,-55.35,;29.91,-55.98,)|
N[C@H]1CC[C@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:4.7,14.15,11.11,1.0,wD:16.20,TLB:7:10:17.16.15:13.12,(-9.8,-.46,;-8.26,-.46,;-7.49,.87,;-5.95,.87,;-5.18,-.46,;-5.95,-1.8,;-7.49,-1.8,;-3.64,-.46,;-3.64,1.08,;-3.64,-2,;-2.1,-.46,;-1.46,-2.2,;-2.67,-1.24,;-2.67,.3,;-1.46,1.26,;.04,.92,;.71,-.47,;.04,-1.86,;2.25,-.47,;3.02,.86,;2.25,2.2,;4.56,.86,;5.47,-.38,;6.93,.09,;6.93,1.63,;5.47,2.11,;8.26,-.68,;9.03,-2.01,;9.8,-.68,)|
N[C@H]1CC[C@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1 |r,wU:4.7,14.15,11.11,1.0,wD:16.20,TLB:7:10:13.12:17.16.15,(-9.98,-1.26,;-8.44,-1.26,;-7.67,.07,;-6.13,.07,;-5.36,-1.26,;-6.13,-2.6,;-7.67,-2.6,;-3.82,-1.26,;-3.82,-2.8,;-3.82,.28,;-2.28,-1.26,;-1.88,-3,;-3.08,-2.04,;-3.08,-.5,;-1.88,.46,;-.38,.12,;.29,-1.27,;-.38,-2.66,;1.83,-1.27,;2.6,.06,;1.83,1.4,;4.14,.06,;4.91,-1.27,;6.45,-1.27,;7.22,.06,;8.73,.38,;8.89,1.91,;9.98,3,;7.48,2.54,;6.45,1.4,;4.91,1.4,)|
N[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1 |r,wU:4.4,wD:1.0,(21.16,-1.33,;19.82,-2.09,;18.49,-1.31,;17.14,-2.07,;17.14,-3.6,;15.8,-4.37,;14.47,-3.59,;13.69,-2.25,;15.24,-2.25,;13.13,-4.37,;11.8,-3.58,;10.48,-4.37,;10.48,-5.91,;11.8,-6.66,;13.13,-5.91,;9.15,-6.67,;7.81,-5.91,;7.81,-4.37,;6.48,-6.68,;6.33,-8.21,;4.82,-8.53,;4.04,-7.21,;5.07,-6.06,;4.2,-9.94,;2.95,-10.85,;4.36,-11.47,;18.47,-4.39,;19.81,-3.63,)|
N[C@H]1C[C@@H](C1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:1.0,wD:3.5,(8.95,-.85,;7.62,-.08,;6.13,-.48,;5.73,1.01,;7.22,1.41,;4.4,1.78,;4.4,3.32,;3.06,1.01,;3.06,-.53,;1.73,-1.3,;.4,-.53,;.4,1.01,;1.73,1.78,;-.94,-1.3,;-2.27,-.53,;-2.27,1.01,;-3.61,-1.3,;-5.07,-.83,;-5.98,-2.07,;-5.07,-3.32,;-3.61,-2.84,;-7.46,-1.67,;-8.55,-.58,;-8.95,-2.07,)|
N[C@H]1C[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.8,1.0,wD:11.15,3.5,(9.68,3.2,;8.34,2.43,;7.95,.94,;6.46,1.34,;6.86,2.83,;5.12,.57,;5.12,-.97,;3.79,1.34,;2.46,.57,;2.46,-.97,;1.12,-1.74,;-.21,-.97,;-.21,.57,;1.12,1.34,;-1.54,-1.74,;-2.88,-.97,;-2.88,.57,;-4.21,-1.74,;-5.46,-.83,;-6.7,-1.74,;-6.23,-3.2,;-4.69,-3.2,;-8.19,-1.34,;-9.28,-.25,;-9.68,-1.74,)|
N[C@H]1C[C@H](C1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:3.5,1.0,(8.95,-.85,;7.62,-.08,;6.13,-.48,;5.73,1.01,;7.22,1.41,;4.4,1.78,;4.4,3.32,;3.06,1.01,;3.06,-.53,;1.73,-1.3,;.4,-.53,;.4,1.01,;1.73,1.78,;-.94,-1.3,;-2.27,-.53,;-2.27,1.01,;-3.61,-1.3,;-5.07,-.83,;-5.98,-2.07,;-5.07,-3.32,;-3.61,-2.84,;-7.46,-1.67,;-8.55,-.58,;-8.95,-2.07,)|
N[C@H]1C[C@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:8.8,3.5,1.0,wD:11.15,(9.68,3.2,;8.34,2.43,;7.95,.94,;6.46,1.34,;6.86,2.83,;5.12,.57,;5.12,-.97,;3.79,1.34,;2.46,.57,;2.46,-.97,;1.12,-1.74,;-.21,-.97,;-.21,.57,;1.12,1.34,;-1.54,-1.74,;-2.88,-.97,;-2.88,.57,;-4.21,-1.74,;-5.46,-.83,;-6.7,-1.74,;-6.23,-3.2,;-4.69,-3.2,;-8.19,-1.34,;-9.28,-.25,;-9.68,-1.74,)|
Nc1cc(ccn1)S(=O)(=O)N1C2CCC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:17.18.16:14.12.13|
Nc1cc(n[nH]1)C(=O)NC(C1CCNCC1)c1ccccc1
Nc1cccc(n1)S(=O)(=O)N1C2CCC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:7:10:17.18.16:14.12.13|
Nc1nc(co1)C(=O)NC(C1CCNCC1)c1ccccc1
O=C(CC1CCNCC1)N1C2CCCC1CC(C2)NC(=O)c1cc(on1)C1CC1 |TLB:1:9:16.15.17:11.12.13|
O=C(CC1CCNCC1)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1
O=C(CC1CCNCC1)N1CCC(CC1)NC(=O)c1nnc[nH]1
O=C(CC1CCNCC1)N1CCC(CC1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1
O=C(CC1CCNCC1)N1CCC2NC(=O)CC2C1
O=C(CC1CCNCC1)N1CC[C@@H](C[C@@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
O=C(CC1CCNCC1)N1CC[C@@H](C[C@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
O=C(CC1CCNCC1)N1CC[C@H](C[C@@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
O=C(CC1CCNCC1)N1CC[C@H](C[C@H]1Cc1ccccc1)NC(=O)c1cc(on1)C1CC1 |r|
O=C(CC1CCNCC1)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:1:9:16.15.14:12.11|
O=C(CC1CCNCC1)N1[C@H]2CC[C@@H]1C[C@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:1:9:16.15.14:12.11|
O=C(CCN1CCCC1)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:10.10,wD:13.17,(4.16,-.77,;4.16,.77,;5.49,1.54,;6.82,.77,;8.16,1.54,;8.63,3,;10.17,3,;10.65,1.54,;9.4,.63,;2.82,1.54,;1.49,.77,;1.49,-.77,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;.15,1.54,;-2.51,-1.54,;-3.85,-.77,;-3.85,.77,;-5.18,-1.54,;-6.43,-.63,;-7.67,-1.54,;-7.2,-3,;-5.66,-3,;-9.16,-1.14,;-10.25,-.05,;-10.65,-1.54,)|
O=C(CCN1CCNCC1)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:11.11,wD:14.18,(4.07,-1.19,;4.07,.35,;5.4,1.12,;6.73,.35,;8.07,1.12,;9.4,.35,;10.74,1.12,;10.74,2.66,;9.4,3.43,;8.07,2.66,;2.73,1.12,;1.4,.35,;1.4,-1.19,;.07,-1.96,;-1.27,-1.19,;-1.27,.35,;.07,1.12,;-2.6,-1.96,;-3.93,-1.19,;-3.93,.35,;-5.27,-1.96,;-6.51,-1.06,;-7.76,-1.96,;-7.28,-3.43,;-5.74,-3.43,;-9.25,-1.56,;-10.34,-.48,;-10.74,-1.96,)|
O=C(CCN1CCOCC1)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:11.11,wD:14.18,(4.07,-1.19,;4.07,.35,;5.4,1.12,;6.73,.35,;8.07,1.12,;9.4,.35,;10.74,1.12,;10.74,2.66,;9.4,3.43,;8.07,2.66,;2.73,1.12,;1.4,.35,;1.4,-1.19,;.07,-1.96,;-1.27,-1.19,;-1.27,.35,;.07,1.12,;-2.6,-1.96,;-3.93,-1.19,;-3.93,.35,;-5.27,-1.96,;-6.51,-1.06,;-7.76,-1.96,;-7.28,-3.43,;-5.74,-3.43,;-9.25,-1.56,;-10.34,-.48,;-10.74,-1.96,)|
O=C(CCNCc1ccccc1)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:13.13,wD:16.20,(-2.73,1.19,;-2.73,-.35,;-4.07,-1.12,;-5.4,-.35,;-6.73,-1.12,;-8.07,-.35,;-9.4,-1.12,;-10.74,-.35,;-12.07,-1.12,;-12.07,-2.66,;-10.74,-3.43,;-9.4,-2.66,;-1.4,-1.12,;-.07,-.35,;-.07,1.19,;1.27,1.96,;2.6,1.19,;2.6,-.35,;1.27,-1.12,;3.93,1.96,;5.27,1.19,;5.27,-.35,;6.6,1.96,;7.85,1.06,;9.09,1.96,;8.62,3.43,;7.08,3.43,;10.58,1.56,;11.67,.48,;12.07,1.96,)|
O=C(NC(C1CCNCC1)c1ccccc1)c1ccc2NC(=O)Cc2c1
O=C(NC1CC2CC3(CC(C1)N23)S(=O)(=O)CC1CCCNC1)c1cc(on1)C1CC1
O=C(NC1CC2CC3(CC(C1)N23)S(=O)(=O)CCCN1CCOCC1)c1cc(on1)C1CC1
O=C(NC1CC2CC3(CC(C1)N23)S(=O)(=O)CCN1CCCC1)c1cc(on1)C1CC1
O=C(NC1CC2CC3(CC(C1)N23)S(=O)(=O)CCN1CCOCC1)c1cc(on1)C1CC1
O=C(NC1CC2CC3(CC(C1)N23)S(=O)(=O)c1ccccc1)c1cc(on1)C1CC1
O=C(NC1CC2CCC(C1)N2S(=O)(=O)CC1CCNCC1)c1cc(on1)C1CC1 |TLB:11:10:9.3.4:6.7|
O=C(NC1CCN(CC1)C(=O)C1(Cc2ccccc2)CCNCC1)c1cc(on1)C1CC1
O=C(NC1CCN(CC1)C(=O)C1CCNCC1)c1cc(on1)C1CC1
O=C(NC1CCN(CC1)S(=O)(=O)C1CCNC1)c1cc(on1)C1CC1
O=C(NC1CCN(CC1)S(=O)(=O)C1CCNCC1)c1cc(on1)C1CC1
O=C(NC1CCN(CC1)S(=O)(=O)CC1CCNCC1)c1ccc2NC(=O)Cc2c1
O=C(NC1CCN(CC1)S(=O)(=O)CCCN1CCCC1)c1cc(on1)C1CC1
O=C(NC1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)NCc1ccccc1)c1cc(on1)C1CC1 |r,wU:16.20,wD:13.13,(6.12,-49.41,;6.12,-50.95,;7.45,-51.72,;8.79,-50.95,;8.79,-49.41,;10.11,-48.63,;11.44,-49.41,;11.44,-50.95,;10.11,-51.71,;12.78,-48.64,;12,-47.3,;13.55,-47.29,;14.11,-49.42,;15.45,-48.65,;16.78,-49.44,;18.12,-48.67,;18.13,-47.13,;16.8,-46.36,;15.45,-47.12,;19.47,-46.38,;20.79,-47.16,;20.78,-48.69,;19.44,-49.43,;19.43,-50.96,;20.75,-51.75,;22.09,-50.98,;22.1,-49.46,;4.78,-51.72,;4.63,-53.26,;3.12,-53.58,;2.35,-52.25,;3.38,-51.1,;2.51,-54.99,;1.26,-55.9,;2.67,-56.52,)|
O=C(NC1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)NCc1ccccn1)c1cc(on1)C1CC1 |r,wU:16.20,wD:13.13,(6.54,-51.66,;6.54,-53.2,;7.88,-53.96,;9.21,-53.19,;9.21,-51.65,;10.54,-50.87,;11.87,-51.65,;11.87,-53.19,;10.54,-53.95,;13.2,-50.88,;12.43,-49.54,;13.98,-49.53,;14.54,-51.66,;15.88,-50.89,;17.21,-51.68,;18.54,-50.92,;18.56,-49.38,;17.23,-48.6,;15.88,-49.36,;19.9,-48.62,;21.22,-49.4,;21.2,-50.93,;19.87,-51.67,;19.85,-53.21,;21.17,-53.99,;22.51,-53.23,;22.52,-51.7,;5.21,-53.97,;5.06,-55.5,;3.55,-55.82,;2.77,-54.49,;3.81,-53.34,;2.93,-57.23,;1.69,-58.14,;3.09,-58.76,)|
O=C(NC1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)NCc1cccnc1)c1cc(on1)C1CC1 |r,wU:16.20,wD:13.13,(57.52,-35.56,;57.53,-37.1,;58.86,-37.87,;60.2,-37.1,;60.2,-35.56,;61.52,-34.78,;62.85,-35.56,;62.85,-37.1,;61.52,-37.86,;64.19,-34.78,;63.41,-33.44,;64.96,-33.44,;65.52,-35.57,;66.86,-34.8,;68.19,-35.59,;69.53,-34.82,;69.54,-33.28,;68.21,-32.51,;66.86,-33.26,;70.88,-32.52,;72.2,-33.3,;72.19,-34.84,;70.85,-35.58,;70.84,-37.11,;72.16,-37.89,;73.5,-37.13,;73.51,-35.6,;56.19,-37.87,;56.04,-39.4,;54.53,-39.73,;53.76,-38.4,;54.79,-37.25,;53.92,-41.14,;52.67,-42.05,;54.08,-42.67,)|
O=C(NC1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)NCc1ccncc1)c1cc(on1)C1CC1 |r,wU:16.20,wD:13.13,(32.19,-36.05,;32.19,-37.59,;33.53,-38.36,;34.86,-37.59,;34.86,-36.05,;36.18,-35.26,;37.52,-36.05,;37.52,-37.59,;36.18,-38.35,;38.85,-35.27,;38.07,-33.93,;39.62,-33.93,;40.19,-36.05,;41.52,-35.28,;42.86,-36.07,;44.19,-35.31,;44.21,-33.77,;42.87,-32.99,;41.53,-33.75,;45.55,-33.01,;46.87,-33.79,;46.85,-35.33,;45.52,-36.07,;45.5,-37.6,;46.82,-38.38,;48.16,-37.62,;48.17,-36.09,;30.86,-38.36,;30.7,-39.89,;29.2,-40.21,;28.42,-38.89,;29.45,-37.74,;28.58,-41.62,;27.33,-42.53,;28.74,-43.16,)|
O=C(NC1CCN(CC1)S(=O)(=O)c1ccc(CN2CCC2)cc1)c1cc(on1)C1CC1
O=C(NC1CCN(CC1)S(=O)(=O)c1ccc(CN2CCCC2)cc1)c1cc(on1)C1CC1
O=C(NC1CCN(CC1)S(=O)(=O)c1ccc(CN2CCCCC2)cc1)c1cc(on1)C1CC1
O=C(NC1CCNCC1)c1ccc2NC(=O)CNc2c1
O=C(NC1CCNCC1)c1ccc2NC(=O)Cc2c1
O=C(NC1CCNCC1)c1ccc2ncc(=O)[nH]c2c1
O=C(NC1CCNCC1)c1cnc2NC(=O)Cc2c1
O=C(NCC1CCNCC1)c1ccc2NC(=O)Cc2c1
O=C(NC[C@@H]1CCNC1)c1ccc2NC(=O)Cc2c1 |r|
O=C(NC[C@H]1CCNC1)c1ccc2NC(=O)Cc2c1 |r|
O=C(N[C@@H]1CCN([C@@H](Cc2ccccc2)C1)S(=O)(=O)CC1CCNCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@@H]1CCN([C@@H](Cc2ccccc2)C1)S(=O)(=O)CCCN1CCOCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@@H]1CCN([C@@H](Cc2ccccc2)C1)S(=O)(=O)CCN1CCCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@@H]1CCN([C@@H](Cc2ccccc2)C1)S(=O)(=O)CCN1CCOCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@@H]1CCN([C@H](Cc2ccccc2)C1)S(=O)(=O)C1CCNC1)c1cc(on1)C1CC1 |r|
O=C(N[C@@H]1CCN([C@H](Cc2ccccc2)C1)S(=O)(=O)CC1CCNCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@@H]1CCN([C@H](Cc2ccccc2)C1)S(=O)(=O)CCCN1CCOCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@@H]1CCN([C@H](Cc2ccccc2)C1)S(=O)(=O)CCN1CCCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)CC1CCNCC1)c1cc(on1)C1CC1 |r,TLB:12:11:3.10.4:6.8.7|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1CCCCNC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCCCC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCCNC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCCNC1)c1ccc2NC(=O)Cc2c1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCN(CCN2CCCCC2)CC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCN(CCN2CCOCC2)CC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCN(Cc2ccccc2)CC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1)c1cc(on1)C1CC1 |r,THB:11:10:3.4.9:6.7|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1)c1ccc2NC(=O)Cc2c1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1)c1ccc2[nH]c(=O)oc2c1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCCN1CCCC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCCN1CCOCC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCCNCCN1CCOCC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:3.9.4|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCN1CCC(C1)N1CCCCC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCN1CCC(C1)OCc1ccccc1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCN1CCCC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCN1CCCC1)c1ccc2NC(=O)Cc2c1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCN1CCOCC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCNCCN1CCOCC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:3.9.4|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCNCCc1ccccc1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:3.9.4|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCc1ccncc1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C[C@@H]1CCCCN1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C[C@@H]1CCCN1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C[C@@H]1CCCNC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C[C@H]1CCCN1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C[C@H]1CCCNC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N(Cc1ccccc1)C1CCNCC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1C2CC1CNC2)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1C2CCC1CNC2)c1cc(on1)C1CC1 |r,TLB:11:14:16.17:19.20.21,11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC2(C1)CCN(CCc1ccccc1)CC2)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC2(C1)CCN(Cc1ccccc1)CC2)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC2(C1)CCNCC2)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC2(CNC2)C1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC2CC(C1)N2)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC2CC1CN2)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC2CCC(C1)N2)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC2CCC(C1)N2CCN1CCOCC1)c1cc(on1)C1CC1 |r,TLB:22:21:17.18:20.14.15,11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC2CCC(C1)N2CCc1ccccc1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9,22:21:17.18:20.14.15|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC2CCC(C1)N2Cc1ccccc1)c1cc(on1)C1CC1 |r,TLB:22:21:17.18:20.14.15,11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC2CCC1CN2)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC2CC[C@@H](C2)C1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC2COCC(C1)N2)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)N1CCCC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCCCN1CCCC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCCCN1CCOCC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCCN1CCCC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCCN1CCOCC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCCc1ccccc1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccc(cc1)C#N)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1)c1ccc2NC(=O)Cc2c1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)Nc1ncccn1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC2(CCCN2)CC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC2(CCN2)CC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCNC(C1)c1ccccc1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCNC(Cc2ccccc2)C1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCNCC1)c1cc(on1)C1CC1 |r,THB:11:10:3.4.9:6.7|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCNCC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCNCC1Cc1ccccc1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCNCC1c1ccccc1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)NC1CC2(CNC2)C1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)NC1CCN(Cc2ccccc2)CC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)NC1CCNCC1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)NC1CCN[C@@H](Cc2ccccc2)C1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)NC1CCN[C@H](Cc2ccccc2)C1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@@H]1CC[C@@H](CC1)NCCN1CCOCC1)c1cc(on1)C1CC1 |r,wU:8.10,5.11,wD:3.2,14.15,17.22,TLB:11:10:7.6:4.3.9,(5.06,.85,;5.83,-.49,;5.06,-1.82,;3.52,-1.82,;2.85,-3.21,;1.35,-3.55,;.15,-2.59,;.15,-1.05,;1.35,-.09,;2.85,-.43,;.47,-1.78,;-1.07,-1.78,;-1.07,-.24,;-1.07,-3.32,;-2.61,-1.78,;-3.38,-3.12,;-4.92,-3.12,;-5.69,-1.78,;-4.92,-.45,;-3.38,-.45,;-7.23,-1.78,;-8,-.45,;-9.54,-.45,;-10.31,.88,;-9.54,2.22,;-10.31,3.55,;-11.85,3.55,;-12.62,2.22,;-11.85,.88,;7.37,-.49,;8.28,-1.73,;9.74,-1.26,;9.74,.28,;8.28,.76,;11.08,-2.03,;11.85,-3.36,;12.62,-2.03,)|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@H]1CC[C@@H](CC1)NCCN1CCOCC1)c1cc(on1)C1CC1 |r,wU:14.15,8.10,5.11,wD:17.22,3.2,TLB:11:10:7.6:4.3.9,(5.05,.85,;5.82,-.49,;5.05,-1.82,;3.51,-1.82,;2.84,-3.21,;1.34,-3.55,;.14,-2.59,;.14,-1.05,;1.34,-.09,;2.84,-.43,;.48,-1.78,;-1.06,-1.78,;-1.06,-.24,;-1.06,-3.32,;-2.6,-1.78,;-3.37,-3.12,;-4.91,-3.12,;-5.68,-1.78,;-4.91,-.45,;-3.37,-.45,;-7.22,-1.78,;-7.99,-.45,;-9.53,-.45,;-10.3,.88,;-9.53,2.22,;-10.3,3.55,;-11.84,3.55,;-12.61,2.22,;-11.84,.88,;7.36,-.49,;8.27,-1.73,;9.73,-1.26,;9.73,.28,;8.27,.76,;11.07,-2.03,;11.84,-3.36,;12.61,-2.03,)|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@H]1CC[C@@H](CC1)NCc1ccccc1)c1cc(on1)C1CC1 |r,wU:14.15,8.10,5.11,wD:17.22,3.2,TLB:11:10:7.6:4.3.9,(5.11,2.65,;5.88,1.32,;5.11,-.02,;3.57,-.02,;2.9,-1.41,;1.4,-1.75,;.19,-.79,;.19,.75,;1.4,1.71,;2.9,1.37,;.54,.02,;-1.11,.02,;-1.11,1.56,;-1.11,-1.52,;-2.65,.02,;-3.42,-1.32,;-4.96,-1.32,;-5.73,.02,;-4.96,1.35,;-3.42,1.35,;-7.27,.02,;-8.04,-1.32,;-9.58,-1.32,;-10.35,.02,;-11.89,.02,;-12.66,-1.32,;-11.89,-2.65,;-10.35,-2.65,;7.42,1.32,;8.32,.07,;9.79,.55,;9.79,2.09,;8.32,2.56,;11.12,-.22,;11.89,-1.56,;12.66,-.22,)|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(CN2CCCC2)cc1)c1cc(on1)C1CC1 |r,TLB:11:10:7.6:4.3.9|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc2NC(=O)Cc2c1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc2[nH]c(=O)oc2c1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccccc1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@H]1CCN([C@@H](Cc2ccccc2)C1)S(=O)(=O)C1CCCNC1)c1cc(on1)C1CC1 |r|
O=C(N[C@H]1CCN([C@@H](Cc2ccccc2)C1)S(=O)(=O)C1CCNC1)c1cc(on1)C1CC1 |r|
O=C(N[C@H]1CCN([C@@H](Cc2ccccc2)C1)S(=O)(=O)CC1CCCN1)c1cc(on1)C1CC1 |r|
O=C(N[C@H]1CCN([C@@H](Cc2ccccc2)C1)S(=O)(=O)CC1CCCNC1)c1cc(on1)C1CC1 |r|
O=C(N[C@H]1CCN([C@@H](Cc2ccccc2)C1)S(=O)(=O)CC1CCNCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@H]1CCN([C@@H](Cc2ccccc2)C1)S(=O)(=O)CCCN1CCOCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@H]1CCN([C@@H](Cc2ccccc2)C1)S(=O)(=O)CCN1CCCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@H]1CCN([C@@H](Cc2ccccc2)C1)S(=O)(=O)N1CCNCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@H]1CCN([C@@H](Cc2ccccc2)C1)S(=O)(=O)NC1CCNCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@H]1CCN([C@H](Cc2ccccc2)C1)S(=O)(=O)CC1CCNCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@H]1CCN([C@H](Cc2ccccc2)C1)S(=O)(=O)CCCN1CCOCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@H]1CCN([C@H](Cc2ccccc2)C1)S(=O)(=O)CCN1CCCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@H]1CCN([C@H](Cc2ccccc2)C1)S(=O)(=O)CCN1CCOCC1)c1cc(on1)C1CC1 |r|
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1CCCNC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCCNC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCCN1CCOCC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCN1CCCC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCN1CCOCC1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc2NC(=O)Cc2c1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc2[nH]c(=O)oc2c1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccccc1)c1cc(on1)C1CC1 |r,TLB:11:10:4.3.9:7.6|
OC1(CNC(=O)c2ccc3NC(=O)Cc3c2)CCNCC1
OC1CCN(CCS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)C1 |r,TLB:7:10:17.16.15:13.12|
OCC1CN(CCN1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:8:11:18.17.16:14.13|
OCCCN1C2CCC1CN(C2)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:3:4:6.7:9.10.11,12:15:18.17:22.21.20|
OCCCN1CCC(CS(=O)(=O)N2CC[C@@H](C[C@@H]2Cc2ccccc2)NC(=O)c2cc(on2)C2CC2)CC1 |r|
OCCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:9:12:19.18.17:15.14|
OCCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1 |r,TLB:9:12:15.14:19.18.17|
OCCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2ccc3NC(=O)Cc3c2)CC1 |r,TLB:9:12:15.14:19.18.17|
OCCCNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:11:14:17.16:21.20.19|
OCCN1C2CCC1CN(C2)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:2:3:5.6:8.9.10,11:14:17.16:21.20.19|
OCCN1CCC(CS(=O)(=O)N2CC[C@@H](C[C@@H]2Cc2ccccc2)NC(=O)c2cc(on2)C2CC2)CC1 |r|
OCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc(on2)C2CC2)CC1 |r,TLB:8:11:18.17.16:14.13|
OCCN1CCC[C@@H](C1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17|
OCCN1CCC[C@H](C1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:9:12:15.14:19.18.17|
OCCNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:10:13:16.15:20.19.18|
OCCNCc1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,TLB:11:14:17.16:21.20.19|
OCCN[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:4.3,17.18,14.14,wD:7.10,19.23,TLB:10:13:16.15:20.19.18,(-11.51,-2.65,;-10.74,-1.32,;-9.2,-1.32,;-8.43,.02,;-6.89,.02,;-6.12,1.35,;-4.58,1.35,;-3.81,.02,;-4.58,-1.32,;-6.12,-1.32,;-2.27,.02,;-2.27,1.56,;-2.27,-1.52,;-.62,.02,;.24,-1.75,;-.96,-.79,;-.96,.75,;.24,1.71,;1.74,1.37,;2.41,-.02,;1.74,-1.41,;3.95,-.02,;4.72,1.32,;3.95,2.65,;6.26,1.32,;7.17,.07,;8.63,.55,;8.63,2.09,;7.17,2.56,;9.97,-.22,;10.74,-1.56,;11.51,-.22,)|
OCCN[C@H]1CC[C@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc(on1)C1CC1 |r,wU:4.3,7.10,17.18,14.14,wD:19.23,TLB:10:13:16.15:20.19.18,(-11.51,-2.65,;-10.74,-1.32,;-9.2,-1.32,;-8.43,.02,;-6.89,.02,;-6.12,1.35,;-4.58,1.35,;-3.81,.02,;-4.58,-1.32,;-6.12,-1.32,;-2.27,.02,;-2.27,1.56,;-2.27,-1.52,;-.65,.02,;.24,-1.75,;-.96,-.79,;-.96,.75,;.24,1.71,;1.74,1.37,;2.41,-.02,;1.74,-1.41,;3.95,-.02,;4.72,1.32,;3.95,2.65,;6.26,1.32,;7.17,.07,;8.63,.55,;8.63,2.09,;7.17,2.56,;9.97,-.22,;10.74,-1.56,;11.51,-.22,)|
OC[C@@H](Cc1ccc(O)c(I)c1)C(=O)N1CCC(CC1)NC(=O)c1cc(on1)C1CC1 |r|
OC[C@@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CC1CCNCC1 |r|
OC[C@H]1CN(CC[C@H]1NC(=O)c1cc(on1)C1CC1)C(=O)CC1CCNCC1 |r|
O[C@@H](CN1CCC(CC1)NC(=O)c1cc(on1)C1CC1)Cc1ccc(O)cc1 |r|
Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc2ccc(Cl)c(Cl)c2)c2OCC(=O)Nc12
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3CC(=O)Nc3cc1Cl)N2S(=O)(=O)C[C@@H]1CCCNC1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3CC(=O)Nc3cc1Cl)N2S(=O)(=O)C[C@H]1CCCNC1 |r|