0 B7R0.4 C=CCNCC(C)C 4029119 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.4 CC(C)CNCCO 4029069 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 CC(C)NCCCO 4088008 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 CC(C)NCCCO 5116284 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 CC(C)OCCCO 4034289 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 CCCCNC(C)C 4024831 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.4 C=CCNC(C)C 4026873 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.4 C=CCNC(C)C 4090944 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 CC(C)SCCN 4012669 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 CC(C)SCCN 4089980 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 COCCC(C)=O 4022132 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.6 C=CCCCCN 4067494 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.6 C=CCNCCC 4031693 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.6 CCOCCNC 4030249 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 COCCN=C=O 4027817 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.6 C\C=C\CNC(C)CC 4030326 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.6 C\C=C\CNC(C)CC 4088628 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.28 CC(C)NCCC(N)=O 4029400 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.4 CC1CCCC(=O)N1 4027532 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.4 CC1COCC(=O)N1 4028237 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.4 CN1CCC=C(Br)C1 4108273 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.7 CC(C)C1C=CCN1 4030034 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.19 CC1(C)CCNC1=O 4035085 [0,0,0,1,0,0|1,0,0]=2 25 B8R1.22 CC1CCCNCC1 4041336 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.72 CC1(C)CCCNC1 4029954 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.72 CC1(C)CCNCC1 4023814 [0,0,0,1,0,0|2,0,1]=4 28 B5R0.1 CC(N)CCO 4027026 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.2 C=CCCCN 4075680 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.2 C=CCCNC 4110731 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.2 CNC(C)CC(C)C 4027376 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.2 CNC(C)CC(C)C 4089905 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.6 CC(=O)CCN(C)C 4090669 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.6 CC(=O)CCN(C)C 5108147 [1,1,0,0,0,0|1,0,0]=3 35 B7R0.6 CC(C)CCC(=N)N 4012910 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.6 CC(C)CCC(=N)N 4091144 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.6 CC(C)NCC(=O)O 4028411 [1,1,0,0,0,0|1,0,0]=3 38 B7R0.6 CC(C)OCC(=O)O 4020858 [1,1,0,0,0,0|1,0,0]=3 39 B7R0.6 CC(C)SCC(=O)O 4028613 [1,1,0,0,0,0|1,0,0]=3 40 B7R0.6 CN(C)CCC(=N)N 4033502 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.8 CC(C)(C)CCC#N 4041024 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.8 CC(C)(C)CCCO 4040977 [1,1,0,0,0,0|0,0,2]=4 43 B7R0.8 CCOCC(C)(C)N 4026868 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.8 CNCCC(C)(C)O 4021555 [1,1,0,0,0,0|1,0,1]=4 45 B9R0.7 CC(C)CNC(=O)C(=O)O 4030063 [0,2,0,0,0,0|2,0,0]=4 46 B9R0.7 CC(C)N(C)CCC(=O)O 4028345 [0,2,0,0,0,0|2,0,0]=4 47 B9R0.7 CC(C)N(C)CCC(=O)O 4091071 [0,2,0,0,0,0|2,0,0]=4 48 B7R1.2 CC1CNC(=O)C1 4026755 [1,0,0,1,0,0|1,0,0]=3 49 B7R1.2 CC1CNC(=O)O1 4043936 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.2 CC1COC(=O)N1 4045335 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.14 CC1(C)CCCN1 4020218 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.14 CC1(C)CCNC1 4018853 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.23 CC1(C)CC1CN 4032113 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.23 CC1(C)CC1CO 4033976 [1,0,0,1,0,0|0,0,2]=4 55 B7R1.4 NC1CCNC1=O 4110613 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.41 CC(C)N1CCNC1=O 4041535 [0,1,0,1,0,0|1,0,0]=3 57 B9R1.48 CC1CCCCC(=O)N1 4085312 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.1 CN1CCC(C=O)CC1 4017912 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.2 CCN1CCNC(=O)C1 4044495 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.3 C[C@@H]1CNCC(=O)N1C 4067271 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.3 C[C@H]1CNCC(=O)N1C 4051612 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.49 CC1CCNC(=O)CC1 4041565 [0,1,0,1,0,0|1,0,0]=3 63 B9R1.49 CC1CNC(=O)CCN1 4017913 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.118 CC1(CN)CCOCC1 4020985 [0,1,0,1,0,0|1,0,1]=4 65 B9R1.40 CC1(C)NCCNC1=O 4014693 [0,1,0,1,0,0|1,0,0]=3 66 B9R1.85 O=C(O)CSCC1CC1 4028705 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.35 CC(C)N1CCC(=O)C1 4085392 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.35 CN1CCC(C(=O)O)C1 4003798 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.35 CN1CCC(C(=O)O)C1 4087795 [0,1,0,1,0,0|2,0,0]=4