0 B5R1.1 C1=CNC=C1 BB_SC-07205 [0,0,0,0,0,0|0,0,4]=4 1 B5R1.1 C1=CNC=N1 BB_SC-06938 [0,0,0,0,0,0|1,0,3]=4 2 B5R1.1 C1=CNN=C1 BB_SC-04986 [0,0,0,0,0,0|1,0,3]=4 3 B5R1.1 C1=COCC1 BB_SC-06597 [0,0,0,0,0,0|1,0,2]=3 4 B5R1.1 C1=NNN=N1 BB_SC-06554 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 NC1=NCCC1 BB_SC-10415 [0,1,0,0,0,0|0,0,2]=3 6 B6R1.2 NC1=NCCS1 BB_SC-06601 [0,1,0,0,0,0|1,0,2]=4 7 B6R1.2 NC1CCCC1 BB_SC-12557 [0,1,0,0,0,0|1,0,0]=2 8 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,1,0,0,0,0|1,0,0]=2 9 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,1,0,0,0,0|1,0,1]=3 10 B6R1.2 O=C1NCCO1 BB_SC-06954 [0,1,0,0,0,0|1,0,1]=3 11 B6R1.2 O=C1OCCO1 BB_SC-06807 [0,1,0,0,0,0|2,0,1]=4 12 B6R1.2 S=C1NCCN1 BB_SC-06569 [0,1,0,0,0,0|1,0,1]=3 13 B6R1.2 SC1=NCCS1 BB_SC-06486 [0,1,0,0,0,0|1,0,2]=4 14 B4R0.2 BrCCCBr BB_SC-06684 [0,0,1,0,0,0|2,0,0]=3 15 B4R0.2 CC=CCO BB_NC-02275 [0,0,1,0,0,0|1,0,2]=4 16 B4R0.2 CCCCCl BB_SC-07054 [0,0,1,0,0,0|1,0,0]=2 17 B4R0.2 CCCCI BB_SC-06943 [0,0,1,0,0,0|1,0,0]=2 18 B4R0.2 CCCCN BB_SC-06761 [0,0,1,0,0,0|0,0,0]=1 19 B4R0.2 CCN=C=S BB_SC-06545 [0,0,1,0,0,0|1,0,2]=4 20 B4R0.2 CNCCN BB_NC-02991 [0,0,1,0,0,0|1,0,0]=2 21 B4R0.2 CNCCO BB_SC-06928 [0,0,1,0,0,0|1,0,0]=2 22 B4R0.2 COCCBr BB_SC-07068 [0,0,1,0,0,0|2,0,0]=3 23 B4R0.2 COCCCl BB_SC-07014 [0,0,1,0,0,0|2,0,0]=3 24 B4R0.2 N#CCCBr BB_SC-09411 [0,0,1,0,0,0|1,0,2]=4 25 B4R0.2 N#CCCO BB_SC-02742 [0,0,1,0,0,0|1,0,2]=4 26 B4R0.2 NCCCBr BB_SC-06502 [0,0,1,0,0,0|1,0,0]=2 27 B4R0.2 NCCCCl BB_SC-07208 [0,0,1,0,0,0|1,0,0]=2 28 B4R0.2 NCCCN BB_NC-02306 [0,0,1,0,0,0|1,0,0]=2 29 B4R0.2 NNCCO BB_SC-09930 [0,0,1,0,0,0|2,0,0]=3 30 B4R0.2 OCCCBr BB_SC-07264 [0,0,1,0,0,0|2,0,0]=3 31 B6R1.1 C1=COCCC1 BB_SC-07074 [0,0,0,0,0,1|1,0,1]=3 32 B6R1.1 C1CSCCN1 BB_SC-06531 [0,0,0,0,0,1|0,0,0]=1 33 B6R1.1 C1OCOCO1 BB_SC-06816 [0,0,0,0,0,1|2,0,0]=3 34 B3R0.1 BrCCBr BB_SC-07189 [1,0,1,0,0,0|2,0,0]=4 35 B3R0.1 C#CCN BB_SC-08803 [1,0,1,0,0,0|0,0,2]=4 36 B3R0.1 CCCI BB_SC-06937 [1,0,1,0,0,0|1,0,0]=3 37 B3R0.1 CNC=O BB_SC-06939 [1,0,1,0,0,0|1,0,1]=4 38 B3R0.1 ClCCBr BB_SC-06512 [1,0,1,0,0,0|2,0,0]=4 39 B3R0.1 N#CCN BB_SC-06479 [1,0,1,0,0,0|1,0,1]=4 40 B3R0.1 NCCBr BB_SC-12695 [1,0,1,0,0,0|1,0,0]=3 41 B3R0.1 NCCCl BB_SC-07224 [1,0,1,0,0,0|1,0,0]=3 42 B3R0.1 OCCBr BB_SC-07017 [1,0,1,0,0,0|2,0,0]=4 43 B3R0.1 OCCCl BB_SC-07062 [1,0,1,0,0,0|2,0,0]=4 44 B3R0.1 OCCF BB_SC-00430 [1,0,1,0,0,0|2,0,0]=4 45 B3R0.1 OCCI BB_SC-04664 [1,0,1,0,0,0|2,0,0]=4 46 B3R0.1 SCCS BB_SC-06621 [1,0,1,0,0,0|2,0,0]=4 47 B5R0.1 C#CCN(C)C BB_SC-06626 [0,1,1,0,0,0|0,0,2]=4 48 B5R0.1 C=C(C)CCO BB_NC-02269 [0,1,1,0,0,0|1,0,1]=4 49 B5R0.1 CC(=O)CCO BB_SC-06926 [0,1,1,0,0,0|1,0,1]=4 50 B5R0.1 CC(C)CC=O BB_NC-02289 [0,1,1,0,0,0|1,0,1]=4 51 B5R0.1 CC(C)CCBr BB_SC-07141 [0,1,1,0,0,0|1,0,0]=3 52 B5R0.1 CC(C)CCI BB_SC-06842 [0,1,1,0,0,0|1,0,0]=3 53 B5R0.1 CC(C)CCS BB_SC-06570 [0,1,1,0,0,0|1,0,0]=3 54 B5R0.1 CC(O)CCO BB_SC-11995 [0,1,1,0,0,0|1,0,0]=3 55 B5R0.1 CCCC(=O)Cl BB_SC-06847 [0,1,1,0,0,0|1,0,1]=4 56 B5R0.1 CCCC(C)O BB_SC-07025 [0,1,1,0,0,0|1,0,0]=3 57 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [0,1,1,0,0,0|1,0,1]=4 58 B5R0.1 CN(C)CCCl BB_SC-07254 [0,1,1,0,0,0|1,0,0]=3 59 B5R0.1 CN(C)CCN BB_SC-10968 [0,1,1,0,0,0|1,0,0]=3 60 B5R0.1 CNCC(=O)O BB_NC-02298 [0,1,1,0,0,0|1,0,1]=4 61 B5R0.1 CNCC(N)=O BB_NC-02649 [0,1,1,0,0,0|1,0,1]=4 62 B5R0.1 CSCC(C)=O BB_SC-12665 [0,1,1,0,0,0|1,0,1]=4 63 B5R0.1 NC(=O)CCCl BB_SC-07003 [0,1,1,0,0,0|1,0,1]=4 64 B5R0.1 NCCC(=O)O BB_SC-12000 [0,1,1,0,0,0|1,0,1]=4 65 B5R0.2 BrCCCCBr BB_SC-06730 [0,1,1,0,0,0|1,0,0]=3 66 B5R0.2 CCCCC=O BB_NC-02285 [0,1,1,0,0,0|1,0,0]=3 67 B5R0.2 CCCCCN BB_SC-06799 [0,1,1,0,0,0|0,0,0]=2 68 B5R0.2 CCNCCO BB_SC-07158 [0,1,1,0,0,0|0,0,0]=2 69 B5R0.2 CCOCCBr BB_SC-07261 [0,1,1,0,0,0|1,0,0]=3 70 B5R0.2 CNCCC#N BB_SC-07065 [0,1,1,0,0,0|0,0,1]=3 71 B5R0.2 CNCCCN BB_SC-07066 [0,1,1,0,0,0|0,0,0]=2 72 B5R0.2 COCCCN BB_SC-06753 [0,1,1,0,0,0|0,0,0]=2 73 B5R0.2 NCCCCN BB_NC-02221 [0,1,1,0,0,0|0,0,0]=2 74 B5R0.3 CCC(=O)CC BB_SC-06948 [0,1,1,0,0,0|1,0,0]=3 75 B5R0.3 CCC(=O)NO BB_SC-06499 [0,1,1,0,0,0|1,0,1]=4 76 B5R0.3 CCC(N)CO BB_SC-06587 [0,1,1,0,0,0|1,0,0]=3 77 B5R0.3 CNC(=O)NC BB_SC-07191 [0,1,1,0,0,0|1,0,1]=4 78 B5R0.3 COC(=O)CN BB_NC-03070 [0,1,1,0,0,0|1,0,1]=4 79 B5R0.3 NCC(O)CN BB_SC-06694 [0,1,1,0,0,0|1,0,0]=3 80 B5R0.3 OCC(O)CCl BB_SC-06682 [0,1,1,0,0,0|2,0,0]=4 81 B7R1.3 CN1CCNCC1 BB_SC-06441 [0,1,0,0,0,1|0,0,0]=2 82 B7R1.3 NN1CCCCC1 BB_SC-04637 [0,1,0,0,0,1|0,0,0]=2 83 B7R1.3 NN1CCOCC1 BB_SC-06464 [0,1,0,0,0,1|0,0,0]=2 84 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [0,1,0,0,0,1|1,0,1]=4 85 B7R1.3 O=C1CCCCN1 BB_SC-06941 [0,1,0,0,0,1|0,0,0]=2 86 B7R1.3 O=C1CCNCC1 BB_SC-06576 [0,1,0,0,0,1|0,0,0]=2 87 B7R1.3 O=C1CCOCC1 BB_SC-11189 [0,1,0,0,0,1|1,0,0]=3 88 B7R1.3 O=C1CCSCC1 BB_SC-06397 [0,1,0,0,0,1|1,0,0]=3 89 B7R1.3 O=C1CNCCN1 BB_SC-04934 [0,1,0,0,0,1|0,0,1]=3 90 B7R1.3 OC1CCCCC1 BB_SC-07055 [0,1,0,0,0,1|1,0,0]=3 91 B7R1.3 OC1CCNCC1 BB_SC-02766 [0,1,0,0,0,1|0,0,0]=2 92 B7R1.3 OC1COCOC1 BB_SC-07035 [0,1,0,0,0,1|1,0,0]=3 93 B7R1.3 SC1=NCCCN1 BB_SC-05375 [0,1,0,0,0,1|0,0,1]=3 94 B7R1.1 BrCC1OCCO1 BB_SC-06594 [0,2,0,0,0,0|2,0,0]=4 95 B7R1.1 CNC1CCSC1 BB_SC-11874 [0,2,0,0,0,0|1,0,0]=3 96 B7R1.1 ClCC1OCCO1 BB_SC-06593 [0,2,0,0,0,0|2,0,0]=4 97 B7R1.1 OC[C@@H]1CCCN1 BB_SC-12416 [0,2,0,0,0,0|0,0,0]=2 98 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,2,0,0,0,0|1,0,1]=4 99 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [0,2,0,0,0,0|1,0,1]=4 100 B7R1.2 O=C1CCC(=O)N1 BB_SC-06814 [0,2,0,0,0,0|0,0,2]=4 101 B7R1.4 NC1CCOC1=O BB_NC-01193 [0,2,0,0,0,0|1,0,1]=4 102 B7R1.4 NC1CCSC1=O BB_SC-05358 [0,2,0,0,0,0|1,0,1]=4 103 B7R1.4 NC1CSCC1O BB_NC-00016 [0,2,0,0,0,0|1,0,0]=3 104 B7R1.4 N[C@@H]1CONC1=O BB_NC-01631 [0,2,0,0,0,0|1,0,1]=4 105 B7R1.4 O=C1OCCC1Br BB_SC-08882 [0,2,0,0,0,0|1,0,1]=4 106 B7R1.4 OC1COCC1O BB_NC-00093 [0,2,0,0,0,0|1,0,0]=3 107 B7R1.14 O=S1(=O)CCCO1 BB_SC-12403 [0,2,0,0,0,0|2,0,0]=4 108 B7R1.14 O=[S+]1([O-])CCCC1 BB_SC-06657 [0,2,0,0,0,0|1,0,0]=3 109 B5R1.3 BrCC1CC1 BB_SC-04711 [0,0,1,1,0,0|1,0,0]=3 110 B5R1.3 C(=O)C1CC1 BB_SC-11514 [0,0,1,1,0,0|1,0,1]=4 111 B5R1.3 CCC1CO1 BB_SC-07230 [0,0,1,1,0,0|1,0,0]=3 112 B5R1.3 ClCC1CO1 BB_SC-06806 [0,0,1,1,0,0|2,0,0]=4 113 B5R1.3 ClC[C@@H]1CO1 BB_SC-10326 [0,0,1,1,0,0|2,0,0]=4 114 B5R1.3 ClC[C@H]1CO1 BB_SC-09935 [0,0,1,1,0,0|2,0,0]=4 115 B5R1.3 NCC1CC1 BB_SC-04639 [0,0,1,1,0,0|0,0,0]=2 116 B7R1.24 C1=CCOCOC1 BB_SC-05392 [0,0,0,0,0,2|1,0,1]=4 117 B7R1.24 C1CCCNCC1 BB_SC-12394 [0,0,0,0,0,2|0,0,0]=2 118 B7R1.24 C1CNCCNC1 BB_SC-11240 [0,0,0,0,0,2|0,0,0]=2