0 B6R0.2 CC(=O)CC(C)N 4022442 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(=O)CC(C)N 4089784 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.2 CC(C)CC(=N)N 4089840 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 COCC(=N)N 4091089 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.2 CC[C@@H](N)CN(C)C 4066349 [0,1,0,0,0,0|2,0,1]=4 5 B7R0.2 CC[C@H](N)CN(C)C 4069075 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.2 CN(C)CC(O)CN 4088537 [0,1,0,0,0,0|1,0,2]=4 7 B7R0.2 CNC(C)CC(=O)O 4090195 [0,1,0,0,0,0|1,0,0]=2 8 B7R0.9 CC(C)CC(C)(C)N 4088334 [0,1,0,0,0,0|1,0,1]=3 9 B7R0.9 CN(C)CC(C)(C)N 4089578 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.16 C[C@@H](C(=O)O)N(C)C 4053971 [0,1,0,0,0,0|2,0,0]=3 11 B7R0.16 C[C@H](C(=O)O)N(C)C 4078952 [0,1,0,0,0,0|2,0,0]=3 12 B7R1.2 CN1CC[C@@H](N)C1 4093148 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.2 NC1CCC(O)C1 4094627 [0,0,0,1,0,0|1,0,2]=4 14 B7R1.2 N[C@@H]1CC[C@H](O)C1 4089591 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.20 N=C(N)NC1CC1 4087927 [0,0,0,1,0,0|3,0,0]=4 16 B5R0.5 CC(O)C(=N)N 4089130 [0,0,0,0,1,0|3,0,0]=4 17 B5R0.5 C[C@@H](O)C(=N)N 4060246 [0,0,0,0,1,0|3,0,0]=4 18 B5R0.5 C[C@H](O)C(=N)N 4057094 [0,0,0,0,1,0|3,0,0]=4 19 B7R0.6 CC(N)CCN(C)C 4033886 [0,0,0,0,0,1|2,0,1]=4 20 B7R0.6 CN(C)CCC(=N)N 4089883 [0,0,0,0,0,1|3,0,0]=4 21 B4R0.2 CCCNN 4088315 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.1 CCOC(C)CN 4089019 [1,1,0,0,0,0|1,0,1]=4 23 B6R0.1 CNCC(C)OC 4089097 [1,1,0,0,0,0|1,0,0]=3 24 B6R0.3 CNC(C)C(C)C 4089636 [1,1,0,0,0,0|1,0,0]=3 25 B6R0.3 CN[C@@H](C)C(N)=O 4077652 [1,1,0,0,0,0|2,0,0]=4 26 B6R0.3 CN[C@H](C)C(N)=O 4076581 [1,1,0,0,0,0|2,0,0]=4 27 B6R0.4 CCCCC(=N)N 4090419 [1,1,0,0,0,0|2,0,0]=4 28 B6R0.4 CNCCC(=O)O 4088781 [1,1,0,0,0,0|1,0,0]=3 29 B6R0.4 CNCCC(N)=O 4090391 [1,1,0,0,0,0|1,0,0]=3 30 B6R0.5 CC(C)(C)CNN 4088354 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.5 CNCC(C)(C)C 4088888 [1,1,0,0,0,0|1,0,0]=3 32 B6R0.5 COCC(C)(C)N 4088100 [1,1,0,0,0,0|1,0,0]=3 33 B6R0.7 CC(C)(C)C(=N)N 4089911 [0,1,0,0,1,0|2,0,0]=4 34 B6R0.7 CC(C)C(C)(C)N 4091195 [0,1,0,0,1,0|1,0,1]=4 35 B6R0.7 CC(N)C(C)(C)C 3001722 [0,1,0,0,1,0|1,0,1]=4 36 B6R0.7 CC(O)C(C)(C)N 4021798 [0,1,0,0,1,0|0,0,2]=4 37 B8R0.23 CC(C)C(N)CC(=O)O 3020223 [0,1,0,0,0,1|1,0,0]=3 38 B8R0.23 CC(C)[C@H](N)CC(=O)O 4106166 [0,1,0,0,0,1|1,0,0]=3 39 B8R0.23 CC(CC(=O)O)N(C)C 4088130 [0,1,0,0,0,1|2,0,0]=4 40 B8R0.23 CC(CN(C)C)C(=O)O 4090277 [0,1,0,0,0,1|2,0,0]=4 41 B8R0.29 CC(C)(N)CCC(=O)O 4090529 [0,1,0,0,0,1|1,0,0]=3 42 B8R0.2 COC(=O)C(=O)C(C)C 4045773 [0,2,0,0,0,0|0,0,1]=3 43 B8R0.16 CCN(CC)CC(=O)O 4088211 [0,2,0,0,0,0|2,0,0]=4 44 B8R0.18 CC(C)[C@@H](CN)N(C)C 4063861 [0,2,0,0,0,0|2,0,0]=4 45 B8R0.18 CC(C)[C@H](CN)N(C)C 4059844 [0,2,0,0,0,0|2,0,0]=4 46 B6R1.2 NC1C=CCC1 4068828 [1,0,0,1,0,0|1,0,1]=4 47 B6R1.2 NC1CCSC1 4014976 [1,0,0,1,0,0|2,0,0]=4 48 B6R1.2 N[C@@H]1CCOC1 4107838 [1,0,0,1,0,0|2,0,0]=4 49 B6R1.2 OC1CCSC1 4030923 [1,0,0,1,0,0|2,0,0]=4 50 B6R1.3 CCNC1CC1 4026907 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.3 CC1CCC(N)CC1 3002871 [0,0,0,1,0,1|1,0,1]=4 52 B8R1.3 CC1CNC(=O)CN1 4045852 [0,0,0,1,0,1|1,0,0]=3 53 B8R1.3 C[C@@H]1CNC(=O)CN1 4090663 [0,0,0,1,0,1|1,0,0]=3 54 B8R1.3 C[C@H]1CC[C@@H](N)CC1 4095854 [0,0,0,1,0,1|1,0,1]=4 55 B8R1.3 C[C@H]1CNC(=O)CN1 4089619 [0,0,0,1,0,1|1,0,0]=3 56 B8R1.3 N[C@H]1CCC(=O)NC1 4097106 [0,0,0,1,0,1|1,0,0]=3 57 B8R1.23 CC(C)N1CC(O)C1 4043143 [0,0,0,1,0,1|0,0,2]=4 58 B8R1.23 O=C(O)C1CC(O)C1 4028966 [0,0,0,1,0,1|2,0,0]=4 59 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 4045921 [0,0,0,1,0,1|2,0,0]=4 60 B8R1.35 CC(C)CNC1CC1 4090064 [0,0,0,1,0,1|1,0,1]=4 61 B8R1.35 CC(C)NCC1CC1 4090465 [0,0,0,1,0,1|1,0,1]=4 62 B8R1.51 CC1CCC(C)(C)N1 4045271 [0,0,0,1,0,1|1,0,1]=4 63 B8R1.1 CC1=NOC(CN)C1 4090248 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.1 CCC1CCC(=O)N1 4027451 [0,1,0,1,0,0|1,0,0]=3 65 B8R1.1 CCC1CNC(=O)C1 4026756 [0,1,0,1,0,0|1,0,0]=3 66 B8R1.1 CN1CCC(CBr)C1 4090341 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.1 NCC1CCC(=O)N1 4111537 [0,1,0,1,0,0|1,0,0]=3 68 B8R1.1 O=C1CCC(CCl)O1 4035082 [0,1,0,1,0,0|1,0,0]=3 69 B8R1.4 CC1CNCC(=O)N1 4049339 [0,1,0,1,0,0|1,0,0]=3 70 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [0,1,0,1,0,0|1,0,0]=3 71 B8R1.40 NCC(=O)NC1CC1 4088865 [0,1,0,1,0,0|1,0,0]=3 72 B8R1.42 CC(C)CC1(N)CC1 4088974 [0,1,0,1,0,0|1,0,1]=4