0 B4R0.2 CCCNN 4088315 [1,0,0,0,0,0|2,0,1]=4 1 B6R0.1 CCOC(C)CN 4089019 [0,1,0,0,0,0|1,0,1]=3 2 B6R0.1 CNCC(C)OC 4089097 [0,1,0,0,0,0|1,0,1]=3 3 B6R0.2 CC(=O)CC(C)N 4022442 [0,1,0,0,0,0|1,0,1]=3 4 B6R0.2 CC(=O)CC(C)N 4089784 [0,1,0,0,0,0|1,0,1]=3 5 B6R0.2 CC(C)CC(=N)N 4089840 [0,1,0,0,0,0|1,0,1]=3 6 B6R0.3 CN(C)C(=O)CN 4088697 [0,1,0,0,0,0|2,0,1]=4 7 B6R0.3 CNC(=O)C(C)N 4088228 [0,1,0,0,0,0|2,0,0]=3 8 B6R0.3 CNC(=O)[C@@H](C)N 4055906 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.3 CNC(C)C(C)C 4089636 [0,1,0,0,0,0|1,0,1]=3 10 B6R0.3 C[C@@H](O)C(=N)NO 4081862 [0,1,0,0,0,0|3,0,0]=4 11 B6R0.3 C[C@H](O)C(=N)NO 4061691 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.5 CC(C)(C)CNN 4088354 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.5 CNCC(C)(C)C 4088888 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.5 COCC(C)(C)N 4088100 [0,1,0,0,0,0|1,0,1]=3 15 B6R1.2 NC1C=CCC1 4068828 [0,0,0,1,0,0|1,0,0]=2 16 B6R1.2 NC1CCSC1 4014976 [0,0,0,1,0,0|2,0,1]=4 17 B6R1.2 N[C@@H]1CCOC1 4107838 [0,0,0,1,0,0|2,0,1]=4 18 B6R1.2 OC1CCSC1 4030923 [0,0,0,1,0,0|2,0,1]=4 19 B6R1.3 CCNC1CC1 4026907 [0,0,0,1,0,0|1,0,1]=3 20 B5R0.3 C=CC(O)CN 4055871 [1,1,0,0,0,0|1,0,0]=3 21 B5R0.3 CCC(C)NC 4039876 [1,1,0,0,0,0|0,0,1]=3 22 B5R0.3 CCC(C)NC 4089297 [1,1,0,0,0,0|0,0,1]=3 23 B5R0.3 COC(C)CN 4089925 [1,1,0,0,0,0|1,0,0]=3 24 B5R0.3 CO[C@@H](C)C#N 4030194 [1,1,0,0,0,0|1,0,1]=4 25 B5R0.3 CO[C@@H](C)CO 4031352 [1,1,0,0,0,0|1,0,0]=3 26 B5R0.5 CC(O)C(=N)N 4089130 [1,1,0,0,0,0|2,0,0]=4 27 B5R0.5 C[C@@H](O)C(=N)N 4060246 [1,1,0,0,0,0|2,0,0]=4 28 B5R0.5 C[C@H](O)C(=N)N 4057094 [1,1,0,0,0,0|2,0,0]=4 29 B7R0.2 CNC(C)CC(=O)O 4090195 [0,2,0,0,0,0|1,0,1]=4 30 B7R0.3 CCCOC(C)CN 4089733 [0,2,0,0,0,0|0,0,2]=4 31 B7R0.5 CN(C)C(=O)CCN 4090962 [0,2,0,0,0,0|1,0,1]=4 32 B7R0.7 CCCC(C)NCC 4090739 [0,2,0,0,0,0|0,0,2]=4 33 B7R0.10 CCC(N)C(=O)NC 4090715 [0,2,0,0,0,0|2,0,0]=4 34 B7R0.10 CNC(=O)C(C)CN 4089454 [0,2,0,0,0,0|1,0,0]=3 35 B7R0.10 CNC(=O)[C@@H](C)NC 4058453 [0,2,0,0,0,0|1,0,0]=3 36 B7R0.10 CNC(=O)[C@H](C)NC 4051973 [0,2,0,0,0,0|1,0,0]=3 37 B7R0.10 CN[C@@H](C)C(=O)OC 4063702 [0,2,0,0,0,0|1,0,0]=3 38 B7R0.10 CN[C@H](C)C(=O)OC 4068255 [0,2,0,0,0,0|1,0,0]=3 39 B7R0.11 COCC(C)(C)CN 4090889 [0,2,0,0,0,0|1,0,1]=4 40 B7R0.9 CC(C)CC(C)(C)N 4088334 [0,2,0,0,0,0|0,0,2]=4 41 B7R0.9 CN(C)CC(C)(C)N 4089578 [0,2,0,0,0,0|1,0,1]=4 42 B7R0.16 C[C@@H](N)C(=O)N(C)C 4082759 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.16 C[C@H](N)C(=O)N(C)C 4059620 [0,2,0,0,0,0|1,0,1]=4 44 B7R0.14 CC(C)(C)C(=O)CN 4089213 [0,2,0,0,0,0|1,0,1]=4 45 B7R0.14 CC(C)(O)C(=O)NN 3015527 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.14 CNC(=O)C(C)(C)N 4090091 [0,2,0,0,0,0|1,0,0]=3 47 B7R0.14 CNC(C)C(C)(C)C 4089219 [0,2,0,0,0,0|1,0,1]=4 48 B7R0.4 CC(C)CNCCO 4090750 [0,2,0,0,0,0|0,0,2]=4 49 B7R0.4 CC(C)NCCCN 3020450 [0,2,0,0,0,0|0,0,2]=4 50 B7R0.8 CC(C)(C)CCCN 4041483 [0,2,0,0,0,0|0,0,2]=4 51 B7R0.8 CC(C)(N)CCCO 4034885 [0,2,0,0,0,0|0,0,2]=4 52 B7R0.8 CCNCC(C)(C)C 4090473 [0,2,0,0,0,0|0,0,2]=4 53 B7R0.8 CCOCC(C)(C)N 4090193 [0,2,0,0,0,0|0,0,2]=4 54 B5R1.4 C[C@@H]1C[C@H]1N 4110616 [1,0,0,1,0,0|1,0,1]=4 55 B5R1.1 C1CNOC1 4089053 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.1 CCC1C=CCN1 4090190 [0,1,0,1,0,0|1,0,0]=3 57 B7R1.1 CNC1CCOC1 4003583 [0,1,0,1,0,0|1,0,1]=4 58 B7R1.1 COC1CCNC1 4089940 [0,1,0,1,0,0|1,0,1]=4 59 B7R1.1 CO[C@@H]1CCNC1 4098907 [0,1,0,1,0,0|1,0,1]=4 60 B7R1.1 CO[C@H]1CCNC1 4093842 [0,1,0,1,0,0|1,0,1]=4 61 B7R1.1 OC[C@@H]1CCNC1 4098010 [0,1,0,1,0,0|1,0,1]=4 62 B7R1.2 CC1=COC(C)=C1 4091270 [0,1,0,1,0,0|0,0,2]=4 63 B7R1.2 CC1=NN(C)C=C1 3020421 [0,1,0,1,0,0|1,0,1]=4 64 B7R1.3 CC1CNCCO1 4090031 [0,1,0,1,0,0|1,0,1]=4 65 B7R1.3 CC1COCCN1 4037925 [0,1,0,1,0,0|1,0,1]=4 66 B7R1.3 C[C@@H]1CNCCO1 4037141 [0,1,0,1,0,0|1,0,1]=4 67 B7R1.3 NC1C=CCCC1 4075151 [0,1,0,1,0,0|1,0,0]=3 68 B7R1.3 NC1CC=CCC1 4110793 [0,1,0,1,0,0|1,0,0]=3 69 B7R1.4 C[C@@H]1CNC[C@@H]1C 4034805 [0,1,0,1,0,0|1,0,1]=4 70 B7R1.4 C[C@@H]1CNC[C@H]1C 4034801 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.4 NC1CCNC1=O 4019954 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.4 N[C@@H]1CCNC1=O 4101224 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.4 N[C@H]1CCNC1=O 4107612 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.6 CNCC1CCC1 4089393 [0,1,0,1,0,0|1,0,1]=4 75 B7R1.21 CCCC1(N)CC1 4090398 [0,1,0,1,0,0|0,0,2]=4 76 B7R1.25 CC1(CO)CNC1 4074448 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.20 N=C(N)NC1CC1 4087927 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.14 CC1(N)CCCC1 4088523 [0,1,0,1,0,0|0,0,2]=4 79 B7R1.26 CC(C)(N)C1CC1 4049152 [0,1,0,1,0,0|0,0,2]=4