0 B6R0.1 CC#CC(=O)OC ACT09348 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCCC(=O)SC ACT06405 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 CCCC(C=C)O ACT06034 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 CCOC(=O)C#C ACT08916 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.1 CCOC(=O)CBr ACT01957 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.1 CCOC(=O)CN ACT03311 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.1 CC\C=C(/C)\C=O ACT06055 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 CNCC(=O)OC ACT07185 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 COC(=O)CCN ACT07866 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C(CN)C(=O)N ACT05141 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 C(CN)C(=O)O ACT04890 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 CC#CC(=O)O ACT02801 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CCSC(=O)C ACT06390 [1,0,0,0,0,0|0,1,1]=3 13 B5R0.1 CNCC(=O)O ACT04970 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.2 C=CCCCBr ACT10075 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 C=CCCCO ACT03061 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 CSSCC=C ACT06216 [1,0,0,0,0,0|1,1,1]=4 17 B5R0.3 C=C[C@@H](CO)N ACT09263 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 CCC(C=C)O ACT06029 [1,0,0,0,0,0|0,0,2]=3 19 B5R0.3 COC(=O)C#C ACT08917 [1,0,0,0,0,0|0,0,2]=3 20 B5R0.3 COC(=O)CBr ACT01939 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.3 COC(=O)CN ACT08376 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.2 C[C@H](CC(=O)OC)O ACT06831 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.3 COC(=O)CCSC ACT06346 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.5 CCOC(=O)C(=O)Cl ACT12045 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.5 CCOC(=O)C(C)Br ACT02065 [0,1,0,0,0,0|0,0,2]=3 26 B7R0.5 CCOC(=O)C(C)Cl ACT02803 [0,1,0,0,0,0|0,0,2]=3 27 B7R0.5 CCOC(=O)C(C)N ACT08470 [0,1,0,0,0,0|0,0,2]=3 28 B7R0.5 CCOC(=O)[C@H](C)N ACT00044 [0,1,0,0,0,0|0,0,2]=3 29 B7R0.7 CCOC(=O)C#CC ACT02922 [0,1,0,0,0,0|0,0,2]=3 30 B7R0.7 CCOC(=O)CCN ACT00057 [0,1,0,0,0,0|0,0,2]=3 31 B7R0.7 CCOC(=O)CNC ACT08249 [0,1,0,0,0,0|0,0,2]=3 32 B7R0.7 CCOC(=O)C[N+]#[C-] ACT02731 [0,1,0,0,0,0|0,0,2]=3 33 B7R0.10 CCC(C(=O)OC)Br ACT02122 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.10 CC[C@H](C(=O)OC)N ACT10443 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.2 C1=CC(=O)NC1=O ACT09826 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.2 Cc1ccc(o1)C ACT06577 [0,0,0,1,0,0|1,0,1]=3 37 B7R1.3 C1CC=CC(C1)O ACT10372 [0,0,0,1,0,0|1,0,2]=4 38 B7R1.3 c1cc(=O)[nH]nc1 ACT01784 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.4 C1CNC(=O)C1N ACT09401 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,0,0,1,0,0|2,0,1]=4 41 B4R0.1 C(=O)C(=O)O ACT06826 [2,0,0,0,0,0|1,0,0]=3 42 B4R0.1 C(C(=O)Br)Br ACT03212 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.1 C(C(=O)O)Br ACT01771 [2,0,0,0,0,0|1,0,1]=4 44 B4R0.1 CC(=C)CBr ACT08856 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.1 CC(=N)OC ACT09196 [2,0,0,0,0,0|1,0,1]=4 46 B4R0.1 CC(=O)C#C ACT08607 [2,0,0,0,0,0|0,0,2]=4 47 B4R0.1 CC(=O)CCl ACT09266 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.1 CC(=O)SC ACT06385 [2,0,0,0,0,0|0,1,1]=4 49 B4R0.1 CC=C(C)Br ACT12017 [2,0,0,0,0,0|1,0,1]=4 50 B4R0.2 C=CCCBr ACT03064 [2,0,0,0,0,0|1,0,1]=4 51 B4R0.2 CCOC#C ACT10610 [2,0,0,0,0,0|0,0,2]=4 52 B4R0.2 CNCC=C ACT04698 [2,0,0,0,0,0|1,0,1]=4 53 B4R0.2 CSCC=C ACT06184 [2,0,0,0,0,0|0,1,1]=4 54 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.3 CCC(C(=O)C)S ACT06317 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.3 CCC(C(=O)O)Br ACT02003 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.4 C(CC(=O)O)CN ACT11886 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.4 CC(=O)CCCO ACT07203 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.4 CC(=O)NCCCl ACT10150 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.4 CCCSC(=O)C ACT06394 [1,1,0,0,0,0|0,1,1]=4 64 B6R0.5 CCOP(=O)(Cl)Cl ACT04099 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.6 C=CCCCCCl ACT10617 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.6 C=CCCCCO ACT10087 [1,1,0,0,0,0|1,0,1]=4 67 B6R0.6 CCC\C=C\C=O ACT06041 [1,1,0,0,0,0|1,0,0]=3 68 B6R0.8 CCS(=O)(=O)C=C ACT04703 [1,1,0,0,0,0|1,0,0]=3 69 B8R0.24 CC(C)(C)OC(=O)C#C ACT08467 [0,2,0,0,0,0|0,0,2]=4 70 B8R0.24 CC(C)(C)OC(=O)CBr ACT01959 [0,2,0,0,0,0|1,0,1]=4 71 B8R0.24 CC(C)(C)OC(=O)CCl ACT03419 [0,2,0,0,0,0|1,0,1]=4 72 B8R0.24 CC(C)(C)OC(=O)CN ACT02827 [0,2,0,0,0,0|1,0,1]=4 73 B8R0.24 CC(C)(C)OC(=O)NN ACT03351 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.1 CCOC(=O)CCCBr ACT03470 [0,2,0,0,0,0|0,0,2]=4 75 B8R0.1 CCOC(=O)CCSC ACT06366 [0,2,0,0,0,0|0,0,2]=4 76 B8R0.1 CCOC(=O)NCCCl ACT09961 [0,2,0,0,0,0|0,0,2]=4 77 B8R0.3 CCC(C(=O)OCC)Br ACT02390 [0,2,0,0,0,0|0,0,2]=4 78 B8R0.3 CCOC(=O)[C@H](CO)N ACT07709 [0,2,0,0,0,0|0,0,2]=4 79 B8R0.3 CCOC(=O)[C@H](CS)N ACT08955 [0,2,0,0,0,0|0,0,2]=4 80 B8R0.3 CCOC(=O)\C(=N\O)\Cl ACT04467 [0,2,0,0,0,0|1,0,0]=3 81 B8R0.14 CCOC(=O)C(C)(C)Br ACT02786 [0,2,0,0,0,0|0,0,2]=4 82 B8R1.1 Cc1ccc(o1)C=O ACT06515 [0,1,0,1,0,0|0,0,1]=3 83 B8R1.1 c1cc(oc1C=O)Br ACT11328 [0,1,0,1,0,0|1,0,1]=4 84 B8R1.18 CC1CC(=O)NC1=O ACT09858 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.18 Cc1c(oc(=O)o1)C ACT08015 [0,1,0,1,0,0|0,0,2]=4 86 B8R1.18 Cc1cc(c(o1)C)S ACT06481 [0,1,0,1,0,0|1,0,1]=4