0 B3R0.2 CC(=O)Br ACT03135 [0,0,0,0,0,0|1,0,0]=1 1 B3R0.2 CC(=O)[S-] ACT05622 [0,0,0,0,0,0|0,1,0]=1 2 B3R0.2 CC(C)S ACT06230 [0,0,0,0,0,0|1,1,1]=3 3 B3R0.2 CC(C)[CH2-] ACT07636 [0,0,0,0,0,0|2,0,1]=3 4 B3R0.2 CP(C)C ACT08935 [0,0,0,0,0,0|3,0,0]=3 5 B3R0.2 P(Br)(Br)Br ACT03432 [0,0,0,0,0,0|4,0,0]=4 6 B2R0.1 CC#N ACT03992 [1,0,0,0,0,0|1,0,1]=3 7 B2R0.1 CCI ACT05467 [1,0,0,0,0,0|1,0,1]=3 8 B2R0.1 CSC ACT08194 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 C(=O)(N)NO ACT02611 [0,1,0,0,0,0|1,0,0]=2 10 B4R0.1 C(=O)C(=O)O ACT06826 [0,1,0,0,0,0|0,0,1]=2 11 B4R0.1 C(C(=N)N)N ACT10088 [0,1,0,0,0,0|2,0,0]=3 12 B4R0.1 C(C(=O)Br)Br ACT03212 [0,1,0,0,0,0|1,0,0]=2 13 B4R0.1 C(C(=O)O)Br ACT01771 [0,1,0,0,0,0|0,0,0]=1 14 B4R0.1 CC(=C)CBr ACT08856 [0,1,0,0,0,0|2,0,0]=3 15 B4R0.1 CC(=N)OC ACT09196 [0,1,0,0,0,0|1,0,0]=2 16 B4R0.1 CC(=O)C#C ACT08607 [0,1,0,0,0,0|1,0,0]=2 17 B4R0.1 CC(=O)CCl ACT09266 [0,1,0,0,0,0|1,0,0]=2 18 B4R0.1 CC(=O)SC ACT06385 [0,1,0,0,0,0|0,1,0]=2 19 B4R0.1 CC(C#C)O ACT09213 [0,1,0,0,0,0|1,0,1]=3 20 B4R0.1 CC(C)CS ACT06243 [0,1,0,0,0,0|1,1,1]=4 21 B4R0.1 CC=C(C)Br ACT12017 [0,1,0,0,0,0|2,0,0]=3 22 B4R0.1 C[C@@H](CN)N ACT04807 [0,1,0,0,0,0|2,0,1]=4 23 B4R0.1 C[C@H](CN)N ACT06789 [0,1,0,0,0,0|2,0,1]=4 24 B4R0.3 CC(C)(C)[O-] ACT11948 [0,1,0,0,0,0|1,0,2]=4 25 B4R0.3 C[N+](C)(C)C ACT05642 [0,1,0,0,0,0|3,0,0]=4 26 B4R0.3 C[N+](C)(C)C ACT05647 [0,1,0,0,0,0|3,0,0]=4 27 B4R0.3 C[S+](=O)(C)C ACT04864 [0,1,0,0,0,0|2,0,0]=3 28 B4R0.3 C[S+](=O)(C)C ACT09781 [0,1,0,0,0,0|2,0,0]=3 29 B4R0.3 C[Si](C)(C)[O-] ACT09154 [0,1,0,0,0,0|1,1,1]=4 30 B1R0.1 CI ACT10179 [2,0,0,0,0,0|1,0,0]=3 31 B1R0.1 [C-]#N ACT09415 [2,0,0,0,0,0|1,0,1]=4 32 B3R0.1 C#CCBr ACT00929 [1,1,0,0,0,0|1,0,1]=4 33 B3R0.1 C#CCN ACT03245 [1,1,0,0,0,0|1,0,1]=4 34 B3R0.1 C(CCl)O ACT07200 [1,1,0,0,0,0|0,0,1]=3 35 B3R0.1 C(CF)O ACT09629 [1,1,0,0,0,0|0,0,1]=3 36 B3R0.1 C=CCS ACT06237 [1,1,0,0,0,0|1,0,0]=3 37 B3R0.1 CCCS ACT06229 [1,1,0,0,0,0|0,1,1]=4 38 B3R0.1 CCSC ACT06182 [1,1,0,0,0,0|0,1,1]=4 39 B3R0.1 CSSC ACT06113 [1,1,0,0,0,0|1,1,0]=4 40 B5R0.1 C(CN)C(=O)N ACT05141 [0,2,0,0,0,0|1,0,0]=3 41 B5R0.1 C(CN)C(=O)O ACT04890 [0,2,0,0,0,0|0,0,0]=2 42 B5R0.1 CC#CC(=O)O ACT02801 [0,2,0,0,0,0|0,0,0]=2 43 B5R0.1 CC(=CC#N)N ACT07325 [0,2,0,0,0,0|2,0,0]=4 44 B5R0.1 CC(=CCS)C ACT06408 [0,2,0,0,0,0|1,1,0]=4 45 B5R0.1 CCSC(=O)C ACT06390 [0,2,0,0,0,0|0,1,0]=3 46 B5R0.1 CNCC(=O)O ACT04970 [0,2,0,0,0,0|0,0,0]=2 47 B5R0.3 C(C(CO)O)N ACT05643 [0,2,0,0,0,0|0,0,2]=4 48 B5R0.3 C([C@@H](CCl)O)N ACT03555 [0,2,0,0,0,0|1,0,1]=4 49 B5R0.3 C([C@H](CCl)O)O ACT05632 [0,2,0,0,0,0|0,0,2]=4 50 B5R0.3 CCC(C#C)O ACT09706 [0,2,0,0,0,0|1,0,1]=4 51 B5R0.3 CCC(C=C)O ACT06029 [0,2,0,0,0,0|1,0,1]=4 52 B5R0.3 COC(=O)C#C ACT08917 [0,2,0,0,0,0|0,0,1]=3 53 B5R0.3 COC(=O)CBr ACT01939 [0,2,0,0,0,0|0,0,0]=2 54 B5R0.3 COC(=O)CN ACT08376 [0,2,0,0,0,0|0,0,0]=2 55 B5R0.4 CC(C)(C#C)O ACT07439 [0,2,0,0,0,0|1,0,1]=4 56 B5R0.4 CC(C)(C)CO ACT08906 [0,2,0,0,0,0|1,0,1]=4 57 B5R0.4 CC(CO)(F)F ACT02888 [0,2,0,0,0,0|1,0,1]=4 58 B5R0.4 C[Si](C)(C)CO ACT09537 [0,2,0,0,0,0|1,1,0]=4 59 B5R0.5 CC(=O)C(=O)C ACT06100 [0,2,0,0,0,0|0,0,1]=3 60 B5R0.5 CC(C(=O)Br)Br ACT03417 [0,2,0,0,0,0|1,0,0]=3 61 B5R0.5 CC(C(=O)C)O ACT06054 [0,2,0,0,0,0|0,0,0]=2 62 B5R0.5 CC(C(=O)C)S ACT06274 [0,2,0,0,0,0|0,1,0]=3 63 B5R0.5 CC(C(=O)O)Br ACT01974 [0,2,0,0,0,0|0,0,0]=2 64 B5R0.5 CC(C(=O)O)N ACT07794 [0,2,0,0,0,0|0,0,0]=2 65 B5R0.5 CC(C(C)S)O ACT06277 [0,2,0,0,0,0|0,1,1]=4 66 B5R0.5 CC(C)C(=O)Cl ACT05625 [0,2,0,0,0,0|1,0,0]=3 67 B5R0.5 C[C@@H](C(=O)N)N ACT03139 [0,2,0,0,0,0|1,0,0]=3 68 B5R0.5 C[C@H](C(=O)N)N ACT10902 [0,2,0,0,0,0|1,0,0]=3 69 B5R0.5 C[C@H](C(=O)O)N ACT07928 [0,2,0,0,0,0|0,0,0]=2 70 B5R1.2 C1C(CN1)O ACT02769 [0,1,0,1,0,0|1,0,1]=4