0 B6R0.3 CNC(C)C(C)C 4089636 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 CN[C@@H](C)C(N)=O 4077652 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 CN[C@H](C)C(N)=O 4076581 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 C[C@@H](CN)N(C)C 4051077 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.3 C[C@H](CN)N(C)C 4073390 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 COCC(=N)N 4091089 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.3 C=CC(O)CN 4055871 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.3 CCC(C)NC 4039876 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.3 CCC(C)NC 4089297 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.3 COC(C)CN 4089925 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.3 CO[C@@H](C)C#N 4030194 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.3 CO[C@@H](C)CO 4031352 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.5 CC(O)C(=N)N 4089130 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.5 C[C@@H](O)C(=N)N 4060246 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.5 C[C@H](O)C(=N)N 4057094 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.5 O=C(O)C(=O)O 4034715 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.5 CNCC(C)C(=O)O 4088272 [0,1,0,0,0,0|0,0,0]=1 17 B7R0.10 CCC(N)C(=O)NC 4090715 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.10 CNC(=O)C(C)CN 4089454 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.10 CNC(=O)[C@@H](C)NC 4058453 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.10 CNC(=O)[C@H](C)NC 4051973 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.10 CN[C@@H](C)C(=O)OC 4063702 [0,1,0,0,0,0|1,0,0]=2 22 B7R0.10 CN[C@H](C)C(=O)OC 4068255 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.13 CC(C)(CN)C(=O)O 4089012 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.15 CC[C@@H](CN)N(C)C 4069612 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.15 CC[C@H](CN)N(C)C 4070052 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.16 C[C@@H](C(=O)O)N(C)C 4053971 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.16 C[C@H](C(=O)O)N(C)C 4078952 [0,1,0,0,0,0|1,0,0]=2 28 B7R1.4 NC1CCNC1=O 4019954 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.4 N[C@@H]1CCNC1=O 4101224 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.4 N[C@H]1CCNC1=O 4107612 [0,0,0,1,0,0|2,0,0]=3 31 B7R0.2 CNC(C)CC(=O)O 4090195 [0,0,0,0,0,1|1,0,0]=2 32 B4R0.2 CCCNN 4088315 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.2 CC(=O)CC(C)N 4022442 [1,1,0,0,0,0|1,0,0]=3 34 B6R0.2 CC(=O)CC(C)N 4089784 [1,1,0,0,0,0|1,0,0]=3 35 B6R0.2 CC(C)CC(=N)N 4089840 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.4 CCCCC(=N)N 4090419 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.4 CNCCC(=O)O 4088781 [1,1,0,0,0,0|0,0,0]=2 38 B6R0.4 CNCCC(N)=O 4090391 [1,1,0,0,0,0|1,0,0]=3 39 B6R0.9 CCC(CN)OC 4090078 [1,1,0,0,0,0|1,0,1]=4 40 B6R0.7 CC(C)(C)C(=N)N 4089911 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.7 CC(O)C(C)(C)N 4021798 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.16 CCN(CC)CC(=O)O 4088211 [0,1,0,0,0,1|1,0,0]=3 43 B8R0.23 CC(C)C(N)CC(=O)O 3020223 [0,1,0,0,0,1|1,0,0]=3 44 B8R0.23 CC(C)[C@H](N)CC(=O)O 4106166 [0,1,0,0,0,1|1,0,0]=3 45 B8R0.23 CC(CC(=O)O)N(C)C 4088130 [0,1,0,0,0,1|1,0,0]=3 46 B8R0.3 CCOC(=O)C(N)CO 3020297 [0,2,0,0,0,0|2,0,0]=4 47 B8R0.3 COC(=O)[C@@H](N)CSC 4090948 [0,2,0,0,0,0|1,0,0]=3 48 B6R1.4 N[C@H]1CC[C@@H]1O 4071120 [1,0,0,1,0,0|1,0,1]=4 49 B6R1.4 N[C@H]1CC[C@H]1O 4068939 [1,0,0,1,0,0|1,0,1]=4 50 B6R1.6 NCC1CCC1 4090412 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.1 CCC1CCC(=O)N1 4027451 [0,0,0,1,0,1|1,0,0]=3 52 B8R1.1 CCC1CNC(=O)C1 4026756 [0,0,0,1,0,1|1,0,0]=3 53 B8R1.1 NCC1CCC(=O)N1 4111537 [0,0,0,1,0,1|2,0,0]=4 54 B8R1.1 O=C1CCC(CCl)O1 4035082 [0,0,0,1,0,1|2,0,0]=4 55 B8R1.4 CC1CNCC(=O)N1 4049339 [0,0,0,1,0,1|2,0,0]=4 56 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [0,0,0,1,0,1|2,0,0]=4 57 B8R1.5 CC1CNCCC1O 4097511 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.5 CN1CCNCC1=O 4090061 [0,1,0,1,0,0|2,0,0]=4 59 B8R1.5 NC1CCCNC1=O 4089547 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.23 O=C(O)C1CC(O)C1 4028966 [0,1,0,1,0,0|0,0,0]=2 61 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 4045921 [0,1,0,1,0,0|0,0,0]=2