0 B4R0.2 BrCCCBr BB_SC-06684 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 CC=CCO BB_NC-02275 [0,0,0,0,0,0|1,1,2]=4 2 B4R0.2 CCCCCl BB_SC-07054 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 CCCCI BB_SC-06943 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 CCCCN BB_SC-06761 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.2 CCN=C=S BB_SC-06545 [0,0,0,0,0,0|0,0,0]=0 6 B4R0.2 CNCCN BB_NC-02991 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 CNCCO BB_SC-06928 [0,0,0,0,0,0|2,1,1]=4 8 B4R0.2 COCCBr BB_SC-07068 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.2 COCCCl BB_SC-07014 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 C\C=C\C#N BB_SC-12445 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.2 C\C=C\C=O BB_SC-06898 [0,0,0,0,0,0|1,1,2]=4 12 B4R0.2 N#CCCBr BB_SC-09411 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.2 N#CCCO BB_SC-02742 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.2 N#CSCCl BB_SC-05540 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.2 NCCCBr BB_SC-06502 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.2 NCCCCl BB_SC-07208 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.2 NCCCN BB_NC-02306 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.2 NNCCO BB_SC-09930 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.2 OCCCBr BB_SC-07264 [0,0,0,0,0,0|2,1,1]=4 20 B3R0.1 BrCCBr BB_SC-07189 [1,0,0,0,0,0|2,0,1]=4 21 B3R0.1 C#CCN BB_SC-08803 [1,0,0,0,0,0|2,0,1]=4 22 B3R0.1 C#CCO BB_SC-06540 [1,0,0,0,0,0|2,0,1]=4 23 B3R0.1 CCCI BB_SC-06937 [1,0,0,0,0,0|1,0,1]=3 24 B3R0.1 CN=C=S BB_SC-05863 [1,0,0,0,0,0|0,0,0]=1 25 B3R0.1 CNC=O BB_SC-06939 [1,0,0,0,0,0|0,1,2]=4 26 B3R0.1 ClCCBr BB_SC-06512 [1,0,0,0,0,0|2,0,1]=4 27 B3R0.1 N#CCCl BB_SC-10991 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.1 N#CCN BB_SC-06479 [1,0,0,0,0,0|2,0,1]=4 29 B3R0.1 NCCBr BB_SC-12695 [1,0,0,0,0,0|2,0,1]=4 30 B3R0.1 NCCCl BB_SC-07224 [1,0,0,0,0,0|2,0,1]=4 31 B3R0.1 OCCBr BB_SC-07017 [1,0,0,0,0,0|1,1,1]=4 32 B3R0.1 OCCCl BB_SC-07062 [1,0,0,0,0,0|1,1,1]=4 33 B3R0.1 OCCF BB_SC-00430 [1,0,0,0,0,0|1,1,1]=4 34 B3R0.1 OCCI BB_SC-04664 [1,0,0,0,0,0|1,1,1]=4 35 B3R0.1 SCCS BB_SC-06621 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 CC(C)CC=O BB_NC-02289 [0,1,0,0,0,0|1,1,1]=4 37 B5R0.1 CC(C)CCBr BB_SC-07141 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(C)CCI BB_SC-06842 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.1 CC(C)CCS BB_SC-06570 [0,1,0,0,0,0|1,0,2]=4 40 B5R0.1 CC(C)N=C=S BB_NC-02791 [0,1,0,0,0,0|0,0,0]=1 41 B5R0.1 CC(O)CCO BB_SC-11995 [0,1,0,0,0,0|1,1,1]=4 42 B5R0.1 CCCC(=O)Cl BB_SC-06847 [0,1,0,0,0,0|1,1,1]=4 43 B5R0.1 CCCC(C)O BB_SC-07025 [0,1,0,0,0,0|1,1,1]=4 44 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [0,1,0,0,0,0|2,1,0]=4 45 B5R0.1 CCOC(=O)Cl BB_SC-07081 [0,1,0,0,0,0|1,1,1]=4 46 B5R0.2 BrCCCCBr BB_SC-06730 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.2 C=CCN=C=S BB_SC-06433 [0,1,0,0,0,0|0,0,1]=2 48 B5R0.2 CCCCC=O BB_NC-02285 [0,1,0,0,0,0|1,1,1]=4 49 B5R0.2 CCCCCN BB_SC-06799 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.2 CCNCCO BB_SC-07158 [0,1,0,0,0,0|0,1,2]=4 51 B5R0.2 CCOCCBr BB_SC-07261 [0,1,0,0,0,0|2,0,1]=4 52 B5R0.2 CNCCC#N BB_SC-07065 [0,1,0,0,0,0|2,0,1]=4 53 B5R0.2 CNCCCN BB_SC-07066 [0,1,0,0,0,0|2,0,1]=4 54 B5R0.2 COCCCN BB_SC-06753 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.2 NCCCCN BB_NC-02221 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.2 O=C=NCCCl BB_SC-04063 [0,1,0,0,0,0|0,1,0]=2 57 B5R0.3 CCC(=O)CC BB_SC-06948 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.3 CCC(=O)NO BB_SC-06499 [0,1,0,0,0,0|2,1,0]=4 59 B5R0.3 CCC(N)CO BB_SC-06587 [0,1,0,0,0,0|1,1,1]=4 60 B5R1.1 C1=COCC1 BB_SC-06597 [0,0,0,1,0,0|1,1,1]=4 61 B5R1.3 BrCC1CC1 BB_SC-04711 [0,0,0,1,0,0|2,0,1]=4 62 B5R1.3 C(=O)C1CC1 BB_SC-11514 [0,0,0,1,0,0|1,1,1]=4 63 B5R1.3 CCC1CO1 BB_SC-07230 [0,0,0,1,0,0|1,1,1]=4 64 B5R1.3 NCC1CC1 BB_SC-04639 [0,0,0,1,0,0|2,0,1]=4 65 B2R0.1 CCI BB_SC-11853 [2,0,0,0,0,0|1,0,0]=3 66 B2R0.1 CNN BB_SC-12360 [2,0,0,0,0,0|1,0,1]=4 67 B2R0.1 CON BB_SC-06505 [2,0,0,0,0,0|1,0,1]=4 68 B2R0.1 ICI BB_SC-06852 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.1 C#CC(C)O BB_SC-06602 [1,1,0,0,0,0|1,0,1]=4 70 B4R0.1 CC(C)C=O BB_SC-11515 [1,1,0,0,0,0|0,1,1]=4 71 B4R0.1 CC(C)CBr BB_SC-12386 [1,1,0,0,0,0|1,0,1]=4 72 B4R0.1 CC(C)CI BB_SC-06912 [1,1,0,0,0,0|1,0,1]=4 73 B4R0.1 CC(N)CN BB_SC-06623 [1,1,0,0,0,0|1,0,1]=4 74 B4R0.1 CC(O)CCl BB_SC-06971 [1,1,0,0,0,0|1,0,1]=4 75 B4R0.1 CC(O)CO BB_SC-07047 [1,1,0,0,0,0|0,1,1]=4 76 B4R0.1 CCC(=O)Cl BB_SC-06942 [1,1,0,0,0,0|0,1,1]=4 77 B4R0.1 CCC(C)=O BB_SC-06989 [1,1,0,0,0,0|0,1,1]=4 78 B4R0.1 CCC(C)N BB_SC-06740 [1,1,0,0,0,0|1,0,1]=4 79 B4R0.1 CCC(C)O BB_SC-07031 [1,1,0,0,0,0|0,1,1]=4 80 B4R0.1 C\C(N)=N\O BB_SC-09052 [1,1,0,0,0,0|0,1,1]=4 81 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.1 CCC(C)N=C=S BB_NC-02793 [0,2,0,0,0,0|0,0,0]=2 83 B6R0.2 CC(C)OC(=S)[S-] BB_SC-00268 [0,2,0,0,0,0|1,0,1]=4 84 B6R0.4 CC(C)CN=C=S BB_NC-02792 [0,2,0,0,0,0|0,0,0]=2 85 B6R0.5 CC(C)(C)N=C=S BB_SC-09379 [0,2,0,0,0,0|0,0,0]=2 86 B6R0.6 CCCCN=C=O BB_SC-06541 [0,2,0,0,0,0|0,1,0]=3 87 B6R0.6 COCCN=C=S BB_SC-01858 [0,2,0,0,0,0|0,0,0]=2 88 B4R1.2 NC1CC1 BB_SC-07203 [1,0,0,1,0,0|1,0,1]=4 89 B6R1.2 NC1=NCCC1 BB_SC-10415 [0,1,0,1,0,0|1,0,1]=4 90 B6R1.2 NC1=NCCS1 BB_SC-06601 [0,1,0,1,0,0|0,0,2]=4 91 B6R1.2 S=C1NCCN1 BB_SC-06569 [0,1,0,1,0,0|0,0,2]=4 92 B6R1.2 SC1=NCCS1 BB_SC-06486 [0,1,0,1,0,0|0,0,2]=4 93 B6R1.3 S=C=NC1CC1 BB_SC-05675 [0,1,0,1,0,0|0,0,0]=2