0 B6R0.3 CC(C)\C(N)=N\O BB_SC-09261 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.3 CNC(=O)[C@H](C)N BB_NC-02402 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.1 CC(C)=CCO BB_NC-02261 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 CC(C)CC=O BB_NC-02289 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CC(C)CCBr BB_SC-07141 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CC(C)CCI BB_SC-06842 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CC(C)CCS BB_SC-06570 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CC(C)N=C=S BB_NC-02791 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 CCCC(C)O BB_SC-07025 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.3 C=CC(=O)OC BB_SC-06906 [1,0,0,0,0,0|0,0,2]=3 12 B5R0.3 CCC(=O)CC BB_SC-06948 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.3 CCC(=O)NO BB_SC-06499 [1,0,0,0,0,0|2,0,0]=3 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|1,0,0]=2 16 B5R0.3 COC(=O)CO BB_SC-06427 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.3 COC(=O)CS BB_SC-06606 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.3 COC(=O)NN BB_SC-07168 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.3 O=C(CCl)CCl BB_SC-08807 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [1,0,0,0,0,0|0,0,2]=3 22 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.5 CC(C)C(=N)N BB_SC-09590 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.5 CC(C)C(=O)O BB_SC-06843 [1,0,0,0,0,0|0,0,0]=1 28 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.5 CC(O)C(N)=O BB_SC-07034 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.5 CC(S)C(=O)O BB_SC-09380 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.5 CN(C)C(=S)Cl BB_SC-06432 [1,0,0,0,0,0|2,1,0]=4 33 B5R0.5 CN(C)C(=S)[S-] BB_SC-06476 [1,0,0,0,0,0|1,2,0]=4 34 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.5 N=C(/N)N(C)C BB_SC-07220 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.5 NC(=O)C(Cl)Cl BB_SC-08831 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.5 O=C(Cl)C(Cl)Cl BB_SC-06836 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [0,1,0,0,0,0|0,0,2]=3 41 B7R0.5 CCOC(=O)C(=O)Cl BB_SC-06434 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [0,1,0,0,0,0|1,0,1]=3 43 B7R0.5 CCOC(=O)C(F)F BB_SC-04011 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.5 CCOC(=O)C(N)=O BB_SC-07128 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.5 CNCC(=O)N(C)C BB_SC-03467 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.10 CNC(=O)C(=O)NC BB_SC-00324 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.10 COC(=O)C(=O)NN BB_SC-06265 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.10 COC(=O)C(=O)OC BB_SC-07155 [0,1,0,0,0,0|1,0,1]=3 50 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.15 COC(OC)N(C)C BB_SC-05862 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.16 CN(C)C(=N)N(C)C BB_SC-07177 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.4 NC1CCOC1=O BB_NC-01193 [0,0,0,1,0,0|1,0,0]=2 54 B7R1.4 NC1CCSC1=O BB_SC-05358 [0,0,0,1,0,0|1,1,0]=3 55 B7R1.4 N[C@@H]1CONC1=O BB_NC-01631 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.4 O=C1OCCC1Br BB_SC-08882 [0,0,0,1,0,0|1,0,0]=2 57 B7R1.22 C\C(=N/O)C1CC1 BB_SC-00309 [0,0,0,1,0,0|3,0,0]=4 58 B7R0.2 CC(C)NC(=O)CN BB_SC-04121 [0,0,0,0,0,1|2,0,0]=3 59 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [0,0,0,0,0,1|1,0,1]=3 60 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [0,0,0,0,0,1|0,0,0]=1 61 B7R0.2 COC(=O)\C=C(/C)N BB_SC-05576 [0,0,0,0,0,1|1,0,1]=3 62 B4R0.1 C#CC(=O)O BB_SC-06516 [2,0,0,0,0,0|0,0,2]=4 63 B4R0.1 CC(=O)CCl BB_SC-12393 [2,0,0,0,0,0|1,0,0]=3 64 B4R0.1 CC(=O)CO BB_SC-06929 [2,0,0,0,0,0|1,0,0]=3 65 B4R0.1 CC(C)C=O BB_SC-11515 [2,0,0,0,0,0|0,0,0]=2 66 B4R0.1 CC(C)CBr BB_SC-12386 [2,0,0,0,0,0|1,0,1]=4 67 B4R0.1 CC(C)CI BB_SC-06912 [2,0,0,0,0,0|1,0,1]=4 68 B4R0.1 CC(O)CO BB_SC-07047 [2,0,0,0,0,0|1,0,1]=4 69 B4R0.1 CCC(=O)Cl BB_SC-06942 [2,0,0,0,0,0|1,0,0]=3 70 B4R0.1 CCC(C)=O BB_SC-06989 [2,0,0,0,0,0|0,0,0]=2 71 B4R0.1 CCC(C)N BB_SC-06740 [2,0,0,0,0,0|1,0,1]=4 72 B4R0.1 CCC(C)O BB_SC-07031 [2,0,0,0,0,0|0,0,2]=4 73 B4R0.1 CNC(N)=O BB_SC-07198 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.1 COC(=N)N BB_SC-07172 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.1 COC(=O)Cl BB_SC-07075 [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 COC(N)=O BB_SC-06903 [2,0,0,0,0,0|1,0,0]=3 77 B4R0.1 NC(=O)CCl BB_SC-06849 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.1 O=C(Br)CBr BB_SC-06823 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.1 O=C(Cl)CCl BB_SC-06733 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.1 O=C(O)CCl BB_SC-12338 [2,0,0,0,0,0|1,0,0]=3 81 B4R0.1 O=C(O)CI BB_SC-06475 [2,0,0,0,0,0|1,0,0]=3 82 B4R0.2 CC=CCO BB_NC-02275 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.2 COCCBr BB_SC-07068 [2,0,0,0,0,0|1,0,1]=4 84 B4R0.2 COCCCl BB_SC-07014 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.4 CC(C)OCCCl BB_SC-03437 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.8 COS(=O)(=O)OC BB_SC-11852 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.7 CC(=O)C(F)(F)F BB_SC-06519 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.7 CC(C)(C)C(=O)Cl BB_SC-06723 [1,1,0,0,0,0|1,0,0]=3 91 B6R0.7 CC(C)(N)C(=O)O BB_SC-07216 [1,1,0,0,0,0|0,0,0]=2 92 B6R0.7 CC(C)S(=O)(=O)Cl BB_SC-06555 [1,1,0,0,0,0|1,0,1]=4 93 B6R0.7 O=C(O)C(Cl)(Cl)Cl BB_SC-06768 [1,1,0,0,0,0|2,0,0]=4 94 B8R0.2 COC(=O)[C@@H](N)C(C)C BB_NC-01236 [0,1,0,0,0,1|0,0,0]=2 95 B8R0.5 CC(C)OC(=O)CC#N BB_SC-06927 [0,1,0,0,0,1|1,0,1]=4 96 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [0,1,0,0,0,1|1,0,1]=4 97 B8R0.19 CCC(=O)CC(C)CC BB_SC-06894 [0,1,0,0,0,1|1,0,0]=3 98 B8R0.19 COC(=O)CC(=O)CCl BB_SC-11229 [0,1,0,0,0,1|1,0,1]=4 99 B8R0.19 COC(=O)CC(=O)OC BB_SC-06935 [0,1,0,0,0,1|1,0,1]=4 100 B8R0.24 CC(C)(C)OC(=O)NN BB_SC-07087 [0,1,0,0,0,1|2,0,0]=4 101 B8R0.3 CCOC(=O)C(Br)CBr BB_SC-07193 [0,2,0,0,0,0|1,0,0]=3 102 B8R0.3 [C@H](N)(CS)C(=O)OCC BB_NC-02280 [0,2,0,0,0,0|1,0,0]=3 103 B8R0.8 CNCCC(=O)N(C)C BB_SC-05314 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.13 CC(C)(CCl)C(=O)NO BB_SC-05360 [0,2,0,0,0,0|2,0,0]=4 105 B6R1.3 COCC1CO1 BB_SC-09489 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [0,0,0,1,0,1|1,0,0]=3 107 B8R1.5 CC1CCCCC1=O BB_SC-06869 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.5 O=C1CCCCC1Cl BB_SC-05549 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.50 CC1CCC(=O)C1=O BB_NC-01986 [0,1,0,1,0,0|1,0,0]=3 110 B8R1.50 O=C1COC(=O)C1Cl BB_SC-02413 [0,1,0,1,0,0|1,0,1]=4 111 B8R0.9 CC(C)CNC(=O)CN BB_SC-07829 [0,0,0,0,0,2|2,0,0]=4 112 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,0,0,0,0,2|1,0,1]=4