0 B7R0.1 C#CCCCCC#C ACT10485 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.1 C#CCCCCCO ACT09966 [0,0,0,0,0,0|0,1,2]=3 2 B7R0.1 C(CCCO)CCN ACT05269 [0,0,0,0,0,0|1,1,0]=2 3 B7R0.1 C(CCCS)CCS ACT06276 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.1 CCCSSCC=C ACT06226 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 CCCSSCCC ACT06139 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 C(CCl)NCCCl ACT03764 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.6 C=CCCCCCl ACT10617 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.6 C=CCCCCO ACT10087 [1,0,0,0,0,0|0,1,2]=4 9 B6R0.6 CNCCCNC ACT10138 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.1 CCOC(=O)CCCBr ACT03470 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.4 CCCSSSCCC ACT06147 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.6 C(CCN)C[C@@H](CO)N ACT07913 [0,1,0,0,0,0|1,1,0]=3 13 B8R0.6 CCCCCC(C#C)O ACT10370 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.6 CCCCCC(C=C)O ACT05316 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.6 CCCCCC(CC)O ACT06057 [0,1,0,0,0,0|1,0,0]=2 16 B8R1.2 C1CC(CNC1)CO ACT04176 [0,0,0,1,0,0|1,1,0]=3 17 B8R1.2 C1CCC(CC1)CO ACT10090 [0,0,0,1,0,0|0,1,0]=2 18 B8R1.2 C1CCNC(C1)CO ACT02103 [0,0,0,1,0,0|1,1,0]=3 19 B8R1.2 C1CCN[C@@H](C1)CO ACT09705 [0,0,0,1,0,0|1,1,0]=3 20 B8R1.2 C1CCN[C@H](C1)CO ACT09534 [0,0,0,1,0,0|1,1,0]=3 21 B8R1.2 C1CNCCC1C#N ACT09389 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.2 C1CNCCC1CO ACT02060 [0,0,0,1,0,0|1,1,0]=3 23 B8R1.2 C1COCC(N1)CO ACT07199 [0,0,0,1,0,0|2,1,0]=4 24 B8R1.2 C1COCCC1C=O ACT10828 [0,0,0,1,0,0|1,1,1]=4 25 B8R1.2 C1COCCC1CN ACT01866 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.2 C1COCCC1CO ACT04637 [0,0,0,1,0,0|1,1,0]=3 27 B8R1.2 CNC1CCOCC1 ACT10530 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.5 C1CCC(C(C1)N)N ACT11641 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.5 C1CC[C@@H]([C@H](C1)N)N ACT02838 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT03415 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT11629 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT11642 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.5 CC1CNCCC1=O ACT09743 [0,0,0,1,0,0|1,1,1]=4 34 B8R1.8 C1CC(NC1)CCO ACT09194 [0,0,0,1,0,0|1,1,0]=3 35 B8R1.11 CN1CCCC1CO ACT09599 [0,0,0,1,0,0|1,1,0]=3 36 B8R1.11 CN1CCC[C@@H]1CO ACT10747 [0,0,0,1,0,0|1,1,0]=3 37 B8R1.11 CN1CCC[C@H]1CO ACT09566 [0,0,0,1,0,0|1,1,0]=3 38 B8R1.22 C1CCNCC(C1)N ACT07491 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.22 CN1CCCNCC1 ACT09728 [0,0,0,1,0,0|3,0,0]=4 40 B5R0.2 C(CCO)CN ACT08231 [2,0,0,0,0,0|1,1,0]=4 41 B5R0.2 CCCCC#C ACT10051 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.2 CCCSSC ACT06210 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.2 CCSSCC ACT06136 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.2 CNCCNC ACT07313 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.2 CSCCCO ACT06341 [2,0,0,0,0,0|1,1,0]=4 46 B7R0.3 CCCCC(C#C)O ACT10155 [1,1,0,0,0,0|0,0,2]=4 47 B7R0.3 CSCC[C@@H](CO)N ACT04170 [1,1,0,0,0,0|1,1,0]=4 48 B7R0.3 CSCC[C@H](CO)N ACT03140 [1,1,0,0,0,0|1,1,0]=4 49 B7R0.4 CC(=O)CCCCBr ACT03439 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.7 CCCC(C)CC=S ACT06342 [1,1,0,0,0,0|0,0,2]=4 51 B9R0.35 CCCC(C(=O)CCC)O ACT06072 [0,2,0,0,0,0|1,0,1]=4 52 B9R0.45 CCCCCCCCC#C ACT10241 [0,2,0,0,0,0|1,0,0]=3 53 B7R1.1 C1CC(NC1)CO ACT09769 [1,0,0,1,0,0|1,1,0]=4 54 B7R1.1 C1CNC[C@@H]1CO ACT07264 [1,0,0,1,0,0|1,1,0]=4 55 B7R1.1 C1COCC1CO ACT09047 [1,0,0,1,0,0|1,1,0]=4 56 B7R1.1 C1C[C@@H](NC1)CO ACT04141 [1,0,0,1,0,0|1,1,0]=4 57 B7R1.1 C1C[C@H](NC1)CO ACT04140 [1,0,0,1,0,0|1,1,0]=4 58 B7R1.3 C1CC(CNC1)O ACT02059 [1,0,0,1,0,0|1,1,0]=4 59 B7R1.3 C1CC(COC1)O ACT09202 [1,0,0,1,0,0|1,1,0]=4 60 B7R1.3 C1CCN(CC1)N ACT09283 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.3 C1CCN(CC1)O ACT09755 [1,0,0,1,0,0|1,1,0]=4 62 B7R1.3 C1CNCCC1Br ACT08302 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.3 C1CNCCC1N ACT05214 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.3 C1CNCCC1N ACT09600 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.3 C1CNCCC1O ACT02058 [1,0,0,1,0,0|1,1,0]=4 66 B7R1.3 C1COCCC1O ACT01892 [1,0,0,1,0,0|1,1,0]=4 67 B7R1.3 C1C[C@@H](CNC1)O ACT02045 [1,0,0,1,0,0|1,1,0]=4 68 B7R1.3 C1C[C@H](CNC1)N ACT04891 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.3 C1C[C@H](CNC1)O ACT02079 [1,0,0,1,0,0|1,1,0]=4 70 B7R1.3 C[C@@H]1CCCCN1 ACT09105 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.3 C[C@@H]1CNCCN1 ACT11136 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 C[C@H]1CCCCN1 ACT09533 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.2 CN1CCCC(C1)CO ACT04179 [0,1,0,1,0,0|1,1,0]=4 74 B9R1.8 C1CCN(CC1)CCCl ACT05803 [0,1,0,1,0,0|1,0,0]=3 75 B9R1.8 C1CCN[C@@H](C1)CCO ACT02082 [0,1,0,1,0,0|0,1,0]=3 76 B9R1.8 C1COCCC1CCO ACT09747 [0,1,0,1,0,0|0,1,0]=3 77 B9R1.15 CN1CCCCC1CCl ACT09451 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.15 CN1CCCCC1CO ACT04178 [0,1,0,1,0,0|0,1,0]=3 79 B9R1.15 CN1CCCC[C@@H]1CO ACT10048 [0,1,0,1,0,0|0,1,0]=3 80 B9R1.15 CN1CCCC[C@H]1CO ACT08347 [0,1,0,1,0,0|0,1,0]=3 81 B9R1.5 CN1CCCCCC1=O ACT05308 [0,1,0,1,0,0|0,1,1]=4 82 B9R1.1 CN1CCC(CC1)CN ACT10113 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.1 CN1CCC(CC1)CO ACT04180 [0,1,0,1,0,0|1,1,0]=4 84 B9R2.68 C1CC2CNCC1O2 ACT09837 [0,0,0,2,0,0|1,1,0]=4