0 B4R0.2 C#CCCO ACT08938 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C(CCl)CBr ACT04979 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.2 C=CCCBr ACT03064 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 CC#CCBr ACT08918 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 CC#CCO ACT02835 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 CCCCS ACT06241 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.2 CCCSC ACT06183 [0,0,0,0,0,0|1,0,0]=1 7 B4R0.2 CCOC#C ACT10610 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.2 CCSCC ACT06138 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.2 CNCC=C ACT04698 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.2 CSCC=C ACT06184 [0,0,0,0,0,0|1,0,1]=2 11 B4R0.2 CSCCO ACT06338 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.2 CSSSC ACT06121 [0,0,0,0,0,0|1,0,0]=1 13 B3R0.1 C#CCBr ACT00929 [1,0,0,0,0,0|2,0,1]=4 14 B3R0.1 C#CCN ACT03245 [1,0,0,0,0,0|2,0,1]=4 15 B3R0.1 C(CCl)O ACT07200 [1,0,0,0,0,0|2,1,0]=4 16 B3R0.1 C(CF)O ACT09629 [1,0,0,0,0,0|2,1,0]=4 17 B3R0.1 C=CCS ACT06237 [1,0,0,0,0,0|1,0,1]=3 18 B3R0.1 CCCS ACT06229 [1,0,0,0,0,0|1,0,0]=2 19 B3R0.1 CCSC ACT06182 [1,0,0,0,0,0|0,0,0]=1 20 B3R0.1 CSSC ACT06113 [1,0,0,0,0,0|0,0,0]=1 21 B5R0.1 CC(C)CCS ACT06430 [0,1,0,0,0,0|3,0,0]=4 22 B5R0.1 CCSC(=O)C ACT06390 [0,1,0,0,0,0|3,0,0]=4 23 B5R0.1 CNCC(=O)O ACT04970 [0,1,0,0,0,0|3,0,0]=4 24 B5R0.2 C#CCCCCl ACT08610 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.2 C#CCCCO ACT09819 [0,1,0,0,0,0|2,0,1]=4 26 B5R0.2 C(CCO)CN ACT08231 [0,1,0,0,0,0|3,0,0]=4 27 B5R0.2 C=CCCCBr ACT10075 [0,1,0,0,0,0|2,0,1]=4 28 B5R0.2 C=CCCCO ACT03061 [0,1,0,0,0,0|2,0,1]=4 29 B5R0.2 CCCCC#C ACT10051 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.2 CCCSSC ACT06210 [0,1,0,0,0,0|1,0,0]=2 31 B5R0.2 CCSSCC ACT06136 [0,1,0,0,0,0|2,0,0]=3 32 B5R0.2 CNCCNC ACT07313 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.2 CSCCCO ACT06341 [0,1,0,0,0,0|1,0,0]=2 34 B5R0.2 CSSCC=C ACT06216 [0,1,0,0,0,0|1,0,1]=3 35 B5R0.3 CCC(C#C)O ACT09706 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.3 CCC(C=C)O ACT06029 [0,1,0,0,0,0|2,0,1]=4 37 B5R1.1 C1C=CCN1 ACT12011 [0,0,0,1,0,0|2,0,1]=4 38 B5R1.1 C1CCCC1 ACT08097 [0,0,0,1,0,0|2,0,0]=3 39 B5R1.1 C1CCOC1 ACT09264 [0,0,0,1,0,0|1,1,0]=3 40 B5R1.2 C1C(CN1)O ACT02769 [0,0,0,1,0,0|3,0,0]=4 41 B5R1.3 C1CC1CBr ACT02757 [0,0,0,1,0,0|3,0,0]=4 42 B2R0.1 CC#N ACT03992 [2,0,0,0,0,0|1,0,1]=4 43 B2R0.1 CCI ACT05467 [2,0,0,0,0,0|1,0,0]=3 44 B2R0.1 CSC ACT08194 [2,0,0,0,0,0|0,0,0]=2 45 B4R0.1 CC(=C)CBr ACT08856 [1,1,0,0,0,0|2,0,0]=4 46 B4R0.1 CC(=N)OC ACT09196 [1,1,0,0,0,0|0,1,1]=4 47 B4R0.1 CC(=O)CCl ACT09266 [1,1,0,0,0,0|2,0,0]=4 48 B4R0.1 CC(=O)SC ACT06385 [1,1,0,0,0,0|0,0,1]=3 49 B4R0.1 CC(C#C)O ACT09213 [1,1,0,0,0,0|1,0,1]=4 50 B4R0.1 CC(C)CS ACT06243 [1,1,0,0,0,0|1,0,0]=3 51 B4R0.1 CC=C(C)Br ACT12017 [1,1,0,0,0,0|1,0,1]=4 52 B4R0.1 C[C@@H](CN)N ACT04807 [1,1,0,0,0,0|2,0,0]=4 53 B4R0.1 C[C@H](CN)N ACT06789 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.1 CCCC(=O)SC ACT06405 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.1 CNCC(=O)OC ACT07185 [0,2,0,0,0,0|1,1,0]=4 56 B6R0.1 CNCC(CO)O ACT08072 [0,2,0,0,0,0|2,0,0]=4 57 B6R0.3 CCC(C(=O)C)S ACT06317 [0,2,0,0,0,0|2,0,0]=4 58 B6R0.4 CC(=O)CCCO ACT07203 [0,2,0,0,0,0|2,0,0]=4 59 B6R0.4 CCCSC(=O)C ACT06394 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.6 C=CCSCC=C ACT06160 [0,2,0,0,0,0|1,0,1]=4 61 B6R0.6 CNCCCNC ACT10138 [0,2,0,0,0,0|2,0,0]=4 62 B6R0.6 CSSSCC=C ACT06482 [0,2,0,0,0,0|1,0,0]=3 63 B4R1.1 C1CNC1 ACT04149 [1,0,0,1,0,0|1,0,0]=3 64 B6R1.2 C1CNC[C@@H]1N ACT06688 [0,1,0,1,0,0|2,0,0]=4 65 B6R1.2 C1CNC[C@@H]1O ACT01716 [0,1,0,1,0,0|2,0,0]=4 66 B6R1.2 C1CNC[C@H]1N ACT04905 [0,1,0,1,0,0|2,0,0]=4 67 B6R1.2 C1CNC[C@H]1O ACT00442 [0,1,0,1,0,0|2,0,0]=4 68 B6R1.2 C1COC[C@@H]1O ACT10453 [0,1,0,1,0,0|1,1,0]=4 69 B6R1.2 C1COC[C@H]1N ACT06806 [0,1,0,1,0,0|1,1,0]=4 70 B6R1.2 C1COC[C@H]1O ACT05256 [0,1,0,1,0,0|1,1,0]=4 71 B6R1.2 C[C@@H]1CCNC1 ACT09361 [0,1,0,1,0,0|2,0,0]=4 72 B6R1.2 C[C@H]1CCCN1 ACT06587 [0,1,0,1,0,0|2,0,0]=4 73 B6R1.2 C[C@H]1CCNC1 ACT11957 [0,1,0,1,0,0|2,0,0]=4 74 B6R1.5 CN1CC(C1)N ACT10720 [0,1,0,1,0,0|2,0,0]=4 75 B6R1.10 CC1(CNC1)C ACT11956 [0,1,0,1,0,0|2,0,0]=4 76 B6R1.1 C1COCCO1 ACT10984 [0,1,0,1,0,0|0,2,0]=4 77 B6R1.1 C1COCCO1 ACT10984 [0,1,0,1,0,0|0,2,0]=4 78 B6R1.6 C1CC(C1)CBr ACT03403 [0,1,0,1,0,0|2,0,0]=4 79 B6R1.6 C1CC(C1)CO ACT03329 [0,1,0,1,0,0|2,0,0]=4