0 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(=O)NC(N)=S BB_SC-06851 [0,0,0,0,0,0|2,1,0]=3 3 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CC(C)OC(=S)[S-] BB_SC-00268 [0,0,0,0,0,0|2,1,1]=4 7 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.2 NC(=O)NC(N)=O BB_SC-00442 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 C=COC(C)=O BB_SC-12396 [1,0,0,0,0,0|0,0,1]=2 11 B5R0.1 CC(=O)CCO BB_SC-06926 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 CC(C)CC=O BB_NC-02289 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CCCC(=O)Cl BB_SC-06847 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CCOC(=O)Cl BB_SC-07081 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 CNCC(=O)O BB_NC-02298 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 CNCC(N)=O BB_NC-02649 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 COCC(=O)Cl BB_SC-11218 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CSCC(C)=O BB_SC-12665 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.2 CC(C)NC(=O)CN BB_SC-04121 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.2 COC(=O)\C=C(/C)N BB_SC-05576 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.9 CC(=O)CC(C)(C)O BB_NC-02286 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.16 CC(=O)C(Cl)C(C)=O BB_SC-07213 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.16 CC(C(=O)O)C(=O)O BB_SC-06503 [0,1,0,0,0,0|3,0,0]=4 28 B7R1.2 CC1=CC(C)=NN1 BB_SC-02785 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.2 CC1=CNC(C)=N1 BB_SC-07154 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.2 CC1=NNC(=O)C1 BB_SC-06921 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,0,0,1,0,0|1,0,1]=3 32 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.2 NC1=CC(=O)CC1 BB_SC-06410 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.2 O=C1C=C(Cl)CC1 BB_SC-06411 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.2 O=C1C=C(O)CO1 BB_SC-12693 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [0,0,0,1,0,0|1,0,0]=2 37 B7R1.2 O=C1CCC(=O)N1 BB_SC-06814 [0,0,0,1,0,0|1,0,0]=2 38 B7R1.2 O=C1CNC(=O)N1 BB_NC-02287 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.2 O=C1CNC(=S)N1 BB_SC-12671 [0,0,0,1,0,0|2,1,0]=4 40 B7R1.2 O=C1CNC(=S)S1 BB_SC-06897 [0,0,0,1,0,0|1,2,0]=4 41 B7R1.2 O=C1CSC(=O)N1 BB_SC-06863 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.2 O=C1CSC(=S)N1 BB_SC-12361 [0,0,0,1,0,0|2,1,0]=4 43 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [0,0,0,0,1,0|2,0,0]=3 44 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [0,0,0,0,1,0|2,0,0]=3 45 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [0,0,0,0,1,0|2,0,0]=3 46 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [0,0,0,0,1,0|1,0,0]=2 47 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [0,0,0,0,1,0|0,0,0]=1 48 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,0,0,0,1,0|2,0,1]=4 49 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,0,0,0,1,0|2,0,1]=4 50 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,0,0,0,1,0|1,0,2]=4 51 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,0,0,0,1,0|1,1,1]=4 52 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [0,0,0,0,1,0|3,0,0]=4 53 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,0,0,0,1,0|2,0,1]=4 54 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,0,0,0,1,0|1,0,2]=4 55 B5R0.5 O=C(Cl)C(=O)Cl BB_SC-07090 [0,0,0,0,1,0|2,0,0]=3 56 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [0,0,0,0,0,1|2,0,1]=4 57 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,0,0,0,0,1|2,0,0]=3 58 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [0,0,0,0,0,1|1,0,0]=2 59 B7R0.6 CC(=O)\C=C\N(C)C BB_SC-05573 [0,0,0,0,0,1|3,0,0]=4 60 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [0,0,0,0,0,1|2,0,1]=4 61 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [0,0,0,0,0,1|2,0,1]=4 62 B7R0.6 O=C(O)C#CC(=O)O BB_SC-06599 [0,0,0,0,0,1|3,0,0]=4 63 B7R0.6 O=C([O-])C#CC(=O)O BB_SC-07180 [0,0,0,0,0,1|3,0,0]=4 64 B4R0.1 CC(=O)CCl BB_SC-12393 [2,0,0,0,0,0|1,0,1]=4 65 B4R0.1 CC(=O)CO BB_SC-06929 [2,0,0,0,0,0|0,0,2]=4 66 B4R0.1 CC(C)C=O BB_SC-11515 [2,0,0,0,0,0|1,0,1]=4 67 B4R0.1 CCC(=O)Cl BB_SC-06942 [2,0,0,0,0,0|1,0,1]=4 68 B4R0.1 CCC(C)=O BB_SC-06989 [2,0,0,0,0,0|0,0,1]=3 69 B4R0.1 CNC(N)=O BB_SC-07198 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.1 COC(=N)N BB_SC-07172 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.1 COC(=O)Cl BB_SC-07075 [2,0,0,0,0,0|1,0,0]=3 72 B4R0.1 COC(N)=O BB_SC-06903 [2,0,0,0,0,0|1,0,0]=3 73 B4R0.2 C\C=C\C=O BB_SC-06898 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.1 C=CC(=O)OCC BB_SC-07096 [1,1,0,0,0,0|0,0,2]=4 75 B6R0.1 CCOC(=O)CBr BB_SC-06646 [1,1,0,0,0,0|0,0,1]=3 76 B6R0.1 CCOC(=O)CCl BB_SC-06777 [1,1,0,0,0,0|0,0,1]=3 77 B6R0.1 CCOC(=O)CS BB_SC-07162 [1,1,0,0,0,0|0,0,1]=3 78 B6R0.1 CCOC(=O)NN BB_SC-07159 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.1 CNCC(=O)NC BB_NC-02631 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.4 CC(=O)CCCCl BB_SC-07709 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.4 CC(=O)NCCN BB_SC-10762 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.4 CCCCC(C)=O BB_SC-06917 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [1,1,0,0,0,0|2,0,0]=4 87 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,1,0,0,0,1|1,0,0]=3 88 B8R0.9 NCC(=O)NCC(=O)O BB_NC-03236 [0,1,0,0,0,1|2,0,0]=4 89 B8R0.9 O=C(O)CNC(=O)CCl BB_SC-01509 [0,1,0,0,0,1|2,0,0]=4 90 B8R0.23 CC(=O)NC(C)C(=O)O BB_NC-00510 [0,1,0,0,0,1|2,0,0]=4 91 B8R0.5 CC(C)OC(=O)CC#N BB_SC-06927 [0,2,0,0,0,0|1,0,1]=4 92 B8R0.5 CCOC(=O)CC(=O)O BB_SC-06245 [0,2,0,0,0,0|2,0,0]=4 93 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [0,2,0,0,0,0|1,0,0]=3 94 B8R0.19 COC(=O)CC(=O)CCl BB_SC-11229 [0,2,0,0,0,0|1,0,0]=3 95 B8R0.19 COC(=O)CC(=O)OC BB_SC-06935 [0,2,0,0,0,0|1,0,0]=3 96 B6R1.2 O=C1CCCC1 BB_SC-09627 [1,0,0,1,0,0|1,0,1]=4 97 B6R1.2 O=C1CCSC1 BB_SC-08806 [1,0,0,1,0,0|2,0,0]=4 98 B6R1.2 O=C1NCCO1 BB_SC-06954 [1,0,0,1,0,0|1,0,1]=4 99 B6R1.2 O=C1OC=CO1 BB_SC-06550 [1,0,0,1,0,0|1,0,1]=4 100 B6R1.2 O=C1OCCO1 BB_SC-06807 [1,0,0,1,0,0|1,0,1]=4 101 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.3 O=C1CCC(=O)CC1 BB_SC-06510 [0,0,0,1,0,1|1,0,0]=3 103 B8R1.3 O=C1CNC(=O)CN1 BB_NC-00669 [0,0,0,1,0,1|2,0,0]=4 104 B8R1.23 O=C1CC(C(=O)O)C1 BB_SC-07711 [0,0,0,1,0,1|2,0,0]=4 105 B8R1.1 CC1=CC=C(C=O)O1 BB_SC-08898 [0,1,0,1,0,0|1,0,1]=4 106 B8R1.1 CC1=CC=C(CN)O1 BB_SC-07231 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.18 CC1=CC(=O)OC1=O BB_SC-06526 [0,1,0,1,0,0|0,0,1]=3 109 B8R1.18 CN1CC(=O)NC1=N BB_NC-00783 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.18 CN1CC(=O)NC1=O BB_NC-02021 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.50 O=C1CCC(=O)N1Br BB_SC-07072 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.50 O=C1CCC(=O)N1Cl BB_SC-07097 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.50 O=C1COC(=O)C1Cl BB_SC-02413 [0,1,0,1,0,0|2,0,0]=4 114 B8R0.28 CC(=O)CCC=C(C)C BB_NC-00183 [0,0,0,0,0,2|2,0,0]=4