0 B7R0.6 CC(N)CCN(C)C 4033886 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CN(C)CCC(=N)N 4089883 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.4 CCCCC(=N)N 4090419 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.4 CNCCC(=O)O 4088781 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.4 CNCCC(N)=O 4090391 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.23 CC(C)C(N)CC(=O)O 3020223 [0,1,0,0,0,0|2,0,0]=3 6 B8R0.23 CC(C)[C@H](N)CC(=O)O 4106166 [0,1,0,0,0,0|2,0,0]=3 7 B8R0.23 CC(CC(=O)O)N(C)C 4088130 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.23 CC(CN(C)C)C(=O)O 4090277 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.29 CC(C)(N)CCC(=O)O 4090529 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.3 CC1CCC(N)CC1 3002871 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.3 CC1CNC(=O)CN1 4045852 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.3 C[C@@H]1CNC(=O)CN1 4090663 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.3 C[C@H]1CC[C@@H](N)CC1 4095854 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.3 C[C@H]1CNC(=O)CN1 4089619 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.3 N[C@H]1CCC(=O)NC1 4097106 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.23 O=C(O)C1CC(O)C1 4028966 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 4045921 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.35 CC(C)CNC1CC1 4090064 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.35 CC(C)NCC1CC1 4090465 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.51 CC1CCC(C)(C)N1 4045271 [0,0,0,1,0,0|2,0,1]=4 21 B6R0.2 CC(=O)CC(C)N 4022442 [0,0,0,0,1,0|1,0,0]=2 22 B6R0.2 CC(=O)CC(C)N 4089784 [0,0,0,0,1,0|1,0,0]=2 23 B6R0.2 CC(C)CC(=N)N 4089840 [0,0,0,0,1,0|2,0,0]=3 24 B7R0.3 CCC(=O)NCCN 4028425 [1,1,0,0,0,0|2,0,0]=4 25 B7R0.3 CCCOC(C)CN 4089733 [1,1,0,0,0,0|1,0,1]=4 26 B7R0.3 CNC(=O)CCCN 4089383 [1,1,0,0,0,0|2,0,0]=4 27 B7R0.3 CNCCC(=O)NC 4088709 [1,1,0,0,0,0|2,0,0]=4 28 B7R0.4 CC(C)CNCCO 4090750 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.8 CCNCC(C)(C)C 4090473 [1,1,0,0,0,0|1,0,1]=4 30 B7R0.8 CCOCC(C)(C)N 4090193 [1,1,0,0,0,0|0,0,1]=3 31 B7R0.9 CC(C)CC(C)(C)N 4088334 [0,1,0,0,1,0|1,0,1]=4 32 B7R0.9 CN(C)CC(C)(C)N 4089578 [0,1,0,0,1,0|2,0,0]=4 33 B7R0.16 C[C@@H](C(=O)O)N(C)C 4053971 [0,1,0,0,1,0|2,0,0]=4 34 B7R0.16 C[C@H](C(=O)O)N(C)C 4078952 [0,1,0,0,1,0|2,0,0]=4 35 B9R0.21 CNC(=O)CCC(C)(C)N 4090294 [0,2,0,0,0,0|1,0,0]=3 36 B7R1.3 CC1COCCN1 4037925 [1,0,0,1,0,0|1,0,1]=4 37 B7R1.3 NC1CC=CCC1 4110793 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.3 N[C@@H]1CCCOC1 4095390 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.3 N[C@H]1CCCOC1 4105155 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.49 CC1CNC(=O)CCN1 4089332 [0,0,0,1,0,1|2,0,0]=4 41 B9R1.49 NC1CCNC(=O)CC1 4020296 [0,0,0,1,0,1|2,0,0]=4 42 B9R1.66 CC1(C)CCNC(=O)C1 4036163 [0,0,0,1,0,1|1,0,0]=3 43 B9R1.69 CN1CC(N)CCC1=O 4016162 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.69 CN1CC(N)CCC1=O 4087873 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.69 CN1CC(O)CCC1=O 4079526 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 4089064 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 4089003 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.95 COC1CC(C(=O)O)C1 4029580 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 4058431 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.147 CC1(CCC(=O)O)CC1 4012703 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.185 CC1(C)CC1C(=O)NN 4088459 [0,1,0,1,0,0|2,0,0]=4