0 B5R0.3 CCC(=O)CC BB_SC-06948 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 CCC(=O)NO BB_SC-06499 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CCC(N)CO BB_SC-06587 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 COC(=O)CO BB_SC-06427 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 NCC(O)CN BB_SC-06694 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 O=C(CCl)CCl BB_SC-08807 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 OCC(O)CCl BB_SC-06682 [0,0,0,0,0,0|1,0,0]=1 7 B4R0.1 C#CC(C)O BB_SC-06602 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 CC(=O)CCl BB_SC-12393 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.1 CC(=O)CO BB_SC-06929 [1,0,0,0,0,0|0,0,2]=3 10 B4R0.1 CC(C)C=O BB_SC-11515 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 CC(C)CBr BB_SC-12386 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 CC(C)CI BB_SC-06912 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 CC(N)CN BB_SC-06623 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(O)CCl BB_SC-06971 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 CC(O)CO BB_SC-07047 [1,0,0,0,0,0|0,0,0]=1 16 B4R0.1 CCC(C)=O BB_SC-06989 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 CCC(C)N BB_SC-06740 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 CCC(C)O BB_SC-07031 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 C\C(N)=N\O BB_SC-09052 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 O=C(O)CCl BB_SC-12338 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 O=C(O)CI BB_SC-06475 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.2 BrCCCBr BB_SC-06684 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 CC=CCO BB_NC-02275 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.2 CCCCCl BB_SC-07054 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.2 CCCCI BB_SC-06943 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 CCCCN BB_SC-06761 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.2 CNCCN BB_NC-02991 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.2 CNCCO BB_SC-06928 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.2 COCCBr BB_SC-07068 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.2 COCCCl BB_SC-07014 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.2 N#CCCBr BB_SC-09411 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.2 N#CCCO BB_SC-02742 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.2 NCCCBr BB_SC-06502 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.2 NCCCCl BB_SC-07208 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.2 NCCCN BB_NC-02306 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 NNCCO BB_SC-09930 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 OCCCBr BB_SC-07264 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.1 CNCC(O)CO BB_SC-04061 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [0,1,0,0,0,0|1,1,1]=4 43 B6R0.8 CC(N)(CO)CO BB_SC-06454 [0,1,0,0,0,0|1,0,0]=2 44 B6R0.8 O=P(O)(CCl)CCl BB_SC-01543 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.9 COC(CCl)OC BB_SC-07093 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.9 COC(CN)OC BB_SC-06731 [0,1,0,0,0,0|3,0,0]=4 47 B6R1.2 NC1CCCC1 BB_SC-12557 [0,0,0,1,0,0|3,0,0]=4 48 B3R0.1 BrCCBr BB_SC-07189 [2,0,0,0,0,0|2,0,0]=4 49 B3R0.1 C#CCO BB_SC-06540 [2,0,0,0,0,0|0,0,2]=4 50 B3R0.1 CCCI BB_SC-06937 [2,0,0,0,0,0|1,0,0]=3 51 B3R0.1 ClCCBr BB_SC-06512 [2,0,0,0,0,0|2,0,0]=4 52 B3R0.1 NCCBr BB_SC-12695 [2,0,0,0,0,0|2,0,0]=4 53 B3R0.1 NCCCl BB_SC-07224 [2,0,0,0,0,0|2,0,0]=4 54 B3R0.1 OCCBr BB_SC-07017 [2,0,0,0,0,0|1,0,0]=3 55 B3R0.1 OCCCl BB_SC-07062 [2,0,0,0,0,0|1,0,0]=3 56 B3R0.1 OCCF BB_SC-00430 [2,0,0,0,0,0|1,0,0]=3 57 B3R0.1 OCCI BB_SC-04664 [2,0,0,0,0,0|1,0,0]=3 58 B3R0.1 SCCS BB_SC-06621 [2,0,0,0,0,0|0,2,0]=4 59 B3R0.2 CC(C)Br BB_SC-06848 [2,0,0,0,0,0|1,0,0]=3 60 B3R0.2 CC(C)I BB_SC-06934 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 C=C(C)CCO BB_NC-02269 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.1 CC(=O)CCO BB_SC-06926 [1,1,0,0,0,0|0,0,2]=4 63 B5R0.1 CC(C)=CCO BB_NC-02261 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.1 CC(C)CC=O BB_NC-02289 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.1 CC(C)CCBr BB_SC-07141 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.1 CC(C)CCI BB_SC-06842 [1,1,0,0,0,0|2,0,0]=4 67 B5R0.1 CC(C)CCS BB_SC-06570 [1,1,0,0,0,0|1,1,0]=4 68 B5R0.1 CC(O)CCO BB_SC-11995 [1,1,0,0,0,0|0,0,0]=2 69 B5R0.1 CCCC(C)O BB_SC-07025 [1,1,0,0,0,0|1,0,0]=3 70 B5R0.4 C#CC(C)(C)O BB_SC-06658 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.4 CC(C)(N)CO BB_SC-06588 [1,1,0,0,0,0|1,0,0]=3 72 B5R0.4 CC(C)(O)C#N BB_SC-06536 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.4 OCC(F)(F)F BB_SC-04010 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.5 CC(C)C(=O)O BB_SC-06843 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.5 CC(O)C(N)=O BB_SC-07034 [1,1,0,0,0,0|0,0,2]=4 76 B5R0.5 CC(S)C(=O)O BB_SC-09380 [1,1,0,0,0,0|0,1,1]=4 77 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [1,1,0,0,0,0|0,0,1]=3 78 B5R0.2 BrCCCCBr BB_SC-06730 [1,1,0,0,0,0|2,0,0]=4 79 B5R0.2 CCCCC=O BB_NC-02285 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.2 CCCCCN BB_SC-06799 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.2 CCNCCO BB_SC-07158 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.2 CCOCCBr BB_SC-07261 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.2 CNCCCN BB_SC-07066 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.2 COCCCN BB_SC-06753 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.2 NCCCCN BB_NC-02221 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.7 OCNC(=S)NCO BB_SC-05376 [0,2,0,0,0,0|0,1,1]=4 87 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [0,2,0,0,0,0|1,0,1]=4 88 B7R0.13 OCC(F)(F)C(F)F BB_SC-00393 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,2,0,0,0,0|1,0,1]=4 90 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,2,0,0,0,0|1,0,1]=4 91 B7R0.18 CCC(N)(CO)CO BB_SC-07123 [0,2,0,0,0,0|1,0,0]=3 92 B7R0.18 NC(CO)(CO)CO BB_SC-06482 [0,2,0,0,0,0|0,0,0]=2 93 B7R0.18 NC(CO)(CO)CO BB_SC-11997 [0,2,0,0,0,0|0,0,0]=2 94 B5R1.3 BrCC1CC1 BB_SC-04711 [1,0,0,1,0,0|2,0,0]=4 95 B5R1.3 CCC1CO1 BB_SC-07230 [1,0,0,1,0,0|1,0,0]=3 96 B5R1.3 ClCC1CO1 BB_SC-06806 [1,0,0,1,0,0|1,0,0]=3 97 B5R1.3 ClC[C@@H]1CO1 BB_SC-10326 [1,0,0,1,0,0|1,0,0]=3 98 B5R1.3 ClC[C@H]1CO1 BB_SC-09935 [1,0,0,1,0,0|1,0,0]=3 99 B5R1.3 NCC1CC1 BB_SC-04639 [1,0,0,1,0,0|2,0,0]=4 100 B5R1.1 C1=COCC1 BB_SC-06597 [1,0,0,1,0,0|1,0,1]=4 101 B7R1.1 BrCC1OCCO1 BB_SC-06594 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.1 ClCC1OCCO1 BB_SC-06593 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.1 OC[C@@H]1CCCN1 BB_SC-12416 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.3 OC1CCCCC1 BB_SC-07055 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.3 OC1CCNCC1 BB_SC-02766 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.3 OC1COCOC1 BB_SC-07035 [0,1,0,1,0,0|0,0,0]=2 107 B7R1.4 NC1CSCC1O BB_NC-00016 [0,1,0,1,0,0|1,1,0]=4 108 B7R1.4 OC1COCC1O BB_NC-00093 [0,1,0,1,0,0|0,0,0]=2 109 B7R1.25 CC1(CO)COC1 BB_SC-05506 [0,1,0,1,0,0|1,0,0]=3