0 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [1,0,0,0,0,0|1,0,1]=3 5 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [1,0,0,0,0,0|0,0,1]=2 8 B6R0.2 CC(C)OC(=S)[S-] BB_SC-00268 [1,0,0,0,0,0|1,2,0]=4 9 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.3 CC(C)\C(N)=N\O BB_SC-09261 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.3 CNC(=O)[C@H](C)N BB_NC-02402 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.3 NNC(=O)C(N)=O BB_SC-06266 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O BB_NC-02400 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.2 COC(=O)[C@@H](N)C(C)C BB_NC-01236 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-01043 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-02929 [0,1,0,0,0,0|1,0,1]=3 24 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1Br BB_SC-02689 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.50 CC1CCC(=O)C1=O BB_NC-01986 [0,0,0,1,0,0|1,0,0]=2 26 B8R1.50 O=C1OCC(O)=C1Br BB_SC-05637 [0,0,0,1,0,0|2,0,1]=4 27 B8R0.23 CC(C)C[C@H](N)C(N)=O BB_NC-02379 [0,0,0,0,0,1|2,0,1]=4 28 B5R0.1 CC(C)=CCO BB_NC-02261 [2,0,0,0,0,0|0,0,2]=4 29 B5R0.1 CC(C)CC=O BB_NC-02289 [2,0,0,0,0,0|0,0,1]=3 30 B5R0.1 CCCC(=O)Cl BB_SC-06847 [2,0,0,0,0,0|1,0,1]=4 31 B5R0.1 CCOC(=O)Cl BB_SC-07081 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.1 CNCC(=O)O BB_NC-02298 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [2,0,0,0,0,0|1,0,1]=4 34 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [2,0,0,0,0,0|0,0,1]=3 35 B5R0.1 NCCC(=O)O BB_SC-12000 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.1 O=C(O)CCBr BB_SC-12703 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.1 O=C(O)CCCl BB_SC-06966 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.3 C=CC(=O)OC BB_SC-06906 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.3 CCC(=O)CC BB_SC-06948 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.3 CCC(=O)NO BB_SC-06499 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.3 COC(=O)CO BB_SC-06427 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [2,0,0,0,0,0|0,0,0]=2 46 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.5 CC(C)C(=N)N BB_SC-09590 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.5 CC(C)C(=O)O BB_SC-06843 [2,0,0,0,0,0|0,0,0]=2 50 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.5 CC(O)C(N)=O BB_SC-07034 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.5 CC(S)C(=O)O BB_SC-09380 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.5 O=C(Cl)C(=O)Cl BB_SC-07090 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.2 CC(C)NC(=O)CN BB_SC-04121 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [1,1,0,0,0,0|0,0,1]=3 60 B7R0.2 COC(=O)\C=C(/C)N BB_SC-05576 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.9 CC(=O)CC(C)(C)O BB_NC-02286 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.5 CCOC(=O)C(=O)Cl BB_SC-06434 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [1,1,0,0,0,0|1,0,0]=3 65 B7R0.5 CCOC(=O)C(N)=O BB_SC-07128 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.10 CNC(=O)C(=O)NC BB_SC-00324 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.10 COC(=O)C(=O)NN BB_SC-06265 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.10 COC(=O)C(=O)OC BB_SC-07155 [1,1,0,0,0,0|1,0,0]=3 70 B9R0.23 COC(=O)C(=O)CC(C)=O BB_SC-01708 [0,1,0,0,0,1|1,0,1]=4 71 B9R0.23 COC(=O)[C@@H](N)CC(C)C BB_NC-01737 [0,1,0,0,0,1|1,0,1]=4 72 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC BB_NC-01741 [0,2,0,0,0,0|1,0,1]=4 73 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.2 O=C1C=C(O)CO1 BB_SC-12693 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.4 NC1CCOC1=O BB_NC-01193 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.4 N[C@@H]1CONC1=O BB_NC-01631 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.4 O=C1OCCC1Br BB_SC-08882 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.22 C\C(=N/O)C1CC1 BB_SC-00309 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.35 CC(C)C1=NOC(N)=C1 BB_SC-12276 [0,0,0,1,0,1|2,0,0]=4 82 B9R1.38 CC1(C)NC(=O)NC1=O BB_SC-06899 [0,0,0,1,0,1|1,0,0]=3 83 B9R1.69 CC1CNC(=O)NC1=O BB_SC-01351 [0,0,0,1,0,1|1,0,0]=3 84 B9R1.138 CC1(C)COC(=O)C1O BB_NC-00082 [0,1,0,1,0,0|0,0,2]=4 85 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [1,0,0,0,0,1|1,0,0]=3 86 B7R0.6 CC(=O)\C=C\N(C)C BB_SC-05573 [1,0,0,0,0,1|2,0,0]=4 87 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [1,0,0,0,0,1|1,0,1]=4 88 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [1,0,0,0,0,1|0,0,1]=3 89 B9R0.7 C=C(C)C(=O)OCC(C)C BB_NC-00772 [0,0,0,0,0,2|2,0,0]=4 90 B9R0.53 CC(=O)CC(=O)OC(C)C BB_SC-06951 [0,0,0,0,0,2|1,0,0]=3