0 B6R0.3 CNC(=O)[C@H](C)N BB_NC-02402 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.3 NNC(=O)C(N)=O BB_SC-06266 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 C=C(C)CCO BB_NC-02269 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CC(C)=CCO BB_NC-02261 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 COCC(=O)Cl BB_SC-11218 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CSCC(C)=O BB_SC-12665 [1,0,0,0,0,0|1,1,1]=4 9 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.3 C=CC(=O)OC BB_SC-06906 [1,0,0,0,0,0|0,0,0]=1 12 B5R0.3 CCC(=O)CC BB_SC-06948 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.3 CCC(=O)NO BB_SC-06499 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.3 CNC(=O)NC BB_SC-07191 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.3 COC(=O)CN BB_NC-03070 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.3 COC(=O)CO BB_SC-06427 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.3 COC(=O)CS BB_SC-06606 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.3 COC(=O)NN BB_SC-07168 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [1,0,0,0,0,0|0,0,0]=1 21 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.5 CC(C)C(=O)O BB_SC-06843 [1,0,0,0,0,0|0,0,2]=3 26 B5R0.5 CC(O)C(N)=O BB_SC-07034 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.5 CC(S)C(=O)O BB_SC-09380 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.5 O=C(Cl)C(=O)Cl BB_SC-07090 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [0,1,0,0,0,0|0,0,0]=1 34 B7R0.5 CCOC(=O)C(=O)Cl BB_SC-06434 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.5 CCOC(=O)C(F)F BB_SC-04011 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.5 CCOC(=O)C(N)=O BB_SC-07128 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.5 CNCC(=O)N(C)C BB_SC-03467 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.10 CNC(=O)C(=O)NC BB_SC-00324 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.10 COC(=O)C(=O)NN BB_SC-06265 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.10 COC(=O)C(=O)OC BB_SC-07155 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.15 COC(OC)C(C)=O BB_SC-06949 [0,1,0,0,0,0|1,0,2]=4 45 B7R1.4 NC1CCOC1=O BB_NC-01193 [0,0,0,1,0,0|1,0,1]=3 46 B7R1.4 NC1CCSC1=O BB_SC-05358 [0,0,0,1,0,0|1,1,1]=4 47 B7R1.4 O=C1OCCC1Br BB_SC-08882 [0,0,0,1,0,0|1,0,1]=3 48 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [0,0,0,0,0,1|1,0,0]=2 49 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [0,0,0,0,0,1|0,0,2]=3 50 B7R0.2 COC(=O)\C=C(/C)N BB_SC-05576 [0,0,0,0,0,1|1,0,0]=2 51 B4R0.1 C#CC(=O)O BB_SC-06516 [2,0,0,0,0,0|0,0,2]=4 52 B4R0.1 C=C(C)C#N BB_SC-06810 [2,0,0,0,0,0|1,0,1]=4 53 B4R0.1 CC(=O)CCl BB_SC-12393 [2,0,0,0,0,0|1,0,1]=4 54 B4R0.1 CC(=O)CO BB_SC-06929 [2,0,0,0,0,0|1,0,1]=4 55 B4R0.1 CC(C)C=O BB_SC-11515 [2,0,0,0,0,0|0,0,2]=4 56 B4R0.1 CCC(=O)Cl BB_SC-06942 [2,0,0,0,0,0|1,0,1]=4 57 B4R0.1 CCC(C)=O BB_SC-06989 [2,0,0,0,0,0|0,0,1]=3 58 B4R0.1 CNC(N)=O BB_SC-07198 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 COC(=N)N BB_SC-07172 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.1 COC(=O)Cl BB_SC-07075 [2,0,0,0,0,0|1,0,0]=3 61 B4R0.1 COC(N)=O BB_SC-06903 [2,0,0,0,0,0|1,0,0]=3 62 B4R0.1 C\C(N)=N\O BB_SC-09052 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.1 O=C(O)CCl BB_SC-12338 [2,0,0,0,0,0|1,0,1]=4 64 B4R0.1 O=C(O)CI BB_SC-06475 [2,0,0,0,0,0|1,0,1]=4 65 B4R0.2 CC=CCO BB_NC-02275 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.2 C\C=C\C#N BB_SC-12445 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.2 C\C=C\C=O BB_SC-06898 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.8 COS(=O)(=O)OC BB_SC-11852 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.7 CC(C)(N)C(=O)O BB_SC-07216 [1,1,0,0,0,0|0,0,2]=4 71 B8R0.2 COC(=O)[C@@H](N)C(C)C BB_NC-01236 [0,1,0,0,0,1|0,0,2]=4 72 B8R0.5 CCOC(=O)CC(=O)O BB_SC-06245 [0,1,0,0,0,1|2,0,0]=4 73 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [0,1,0,0,0,1|1,0,0]=3 74 B8R0.19 COC(=O)CC(=O)CCl BB_SC-11229 [0,1,0,0,0,1|1,0,0]=3 75 B8R0.19 COC(=O)CC(=O)OC BB_SC-06935 [0,1,0,0,0,1|1,0,0]=3 76 B8R0.3 CCOC(=O)C(Br)CBr BB_SC-07193 [0,2,0,0,0,0|1,0,1]=4 77 B8R0.3 CCOC(=O)\C(Cl)=N\O BB_SC-03909 [0,2,0,0,0,0|2,0,0]=4 78 B8R0.3 [C@H](N)(CS)C(=O)OCC BB_NC-02280 [0,2,0,0,0,0|1,0,1]=4 79 B8R1.1 CCC1=NC(C)=CN1 BB_SC-05574 [0,0,0,1,0,1|2,0,0]=4 80 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [0,0,0,1,0,1|2,0,0]=4 81 B8R1.18 CC1=CC(=O)OC1=O BB_SC-06526 [0,0,0,1,0,1|2,0,0]=4 82 B8R1.18 CN1CC(=O)NC1=O BB_NC-02021 [0,0,0,1,0,1|2,0,0]=4 83 B8R1.11 CC1=C(C=O)SC=C1 BB_SC-02989 [0,1,0,1,0,0|0,1,1]=4 84 B8R1.50 CC1CCC(=O)C1=O BB_NC-01986 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.50 O=C1COC(=O)C1Cl BB_SC-02413 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.50 O=C1OCC(O)=C1Br BB_SC-05637 [0,1,0,1,0,0|1,0,0]=3 87 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,0,0,0,0,2|1,0,0]=3