0 B6R0.3 C(C(=O)C(=O)O)Br ACT09279 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.3 C(C(C(=O)O)N)O ACT07798 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.3 CC(CN)C(=O)O ACT09241 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CCC(=O)N(C)C ACT06844 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.3 CCC(C(=O)C)S ACT06317 [0,0,0,0,0,0|2,1,1]=4 7 B6R0.3 CCC(C(=O)O)Br ACT02003 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 CN(C)C(=O)CCl ACT03938 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.3 C[C@@H]([C@H](CO)N)O ACT04169 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.3 C[C@H]([C@@H](CO)N)O ACT04168 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.3 C[C@H]([C@@H](CO)N)O ACT10787 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 C(CN)C(=O)N ACT05141 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 C(CN)C(=O)O ACT04890 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 CC#CC(=O)O ACT02801 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CC(=CCS)C ACT06408 [1,0,0,0,0,0|2,1,0]=4 17 B5R0.1 CCSC(=O)C ACT06390 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CNCC(=O)O ACT04970 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.3 C=C[C@@H](CO)N ACT09263 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.3 COC(=O)CBr ACT01939 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.3 COC(=O)CN ACT08376 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.5 CC(=O)C(=O)C ACT06100 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.5 CC(C(=O)Br)Br ACT03417 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.5 CC(C(=O)C)O ACT06054 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.5 CC(C(=O)C)S ACT06274 [1,0,0,0,0,0|1,1,1]=4 26 B5R0.5 CC(C(=O)O)Br ACT01974 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.5 CC(C(=O)O)N ACT07794 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.5 CC(C)C(=O)Cl ACT05625 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.5 C[C@@H](C(=O)N)N ACT03139 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.5 C[C@H](C(=O)N)N ACT10902 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.5 C[C@H](C(=O)O)N ACT07928 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.5 C(CBr)C(C(=O)O)Br ACT09951 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.5 C(CN)C(C(=O)O)O ACT11882 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.5 C(CN)[C@@H](C(=O)O)O ACT02354 [0,1,0,0,0,0|1,0,2]=4 35 B7R0.5 C=CC[C@@H](C(=O)O)N ACT02836 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.5 CCOC(=O)C(=O)Cl ACT12045 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.10 CCC(C(=O)OC)Br ACT02122 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.10 CC[C@H](C(=O)OC)N ACT10443 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.10 COC(=O)C(=C)CO ACT03973 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.10 COC(=O)C(CO)N ACT08359 [0,1,0,0,0,0|1,0,1]=3 41 B7R0.10 COC(=O)[C@@H](CO)N ACT05963 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.10 COC(=O)[C@H](CO)N ACT09183 [0,1,0,0,0,0|1,0,1]=3 43 B7R0.10 COC(=O)[C@H](CS)N ACT07406 [0,1,0,0,0,0|1,1,1]=4 44 B7R0.13 CCC(C)(C)C(=O)O ACT06818 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.13 CC[C@@](C)(C(=O)O)N ACT09522 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.15 CNC(CS)C(=O)O ACT09439 [0,1,0,0,0,0|1,1,1]=4 47 B7R0.16 CC(C)[C@H](C(=O)O)N ACT04818 [0,1,0,0,0,0|2,0,1]=4 48 B7R1.4 C1C(C(=O)NO1)N ACT10891 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.4 C1[C@@H](C(=O)NO1)N ACT10801 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.4 C1[C@H](C(=O)NO1)N ACT04767 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.18 C1CN[C@@H]1C(=O)O ACT01799 [0,0,0,1,0,0|2,0,1]=4 53 B7R0.2 C([C@H](CN)O)C(=O)O ACT10094 [0,0,0,0,0,1|1,0,2]=4 54 B7R0.2 CC[C@H](C)CC(=O)O ACT09115 [0,0,0,0,0,1|2,0,1]=4 55 B4R0.1 C(=O)(N)NO ACT02611 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 C(=O)C(=O)O ACT06826 [2,0,0,0,0,0|0,0,0]=2 57 B4R0.1 C(C(=O)Br)Br ACT03212 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.1 C(C(=O)O)Br ACT01771 [2,0,0,0,0,0|1,0,0]=3 59 B4R0.1 CC(=C)CBr ACT08856 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.1 CC(=O)C#C ACT08607 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.1 CC(=O)CCl ACT09266 [2,0,0,0,0,0|1,0,1]=4 62 B4R0.1 CC(=O)SC ACT06385 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.1 CC=C(C)Br ACT12017 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.1 CC\C=C(/C)\C=O ACT06055 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.1 COC(=O)CCN ACT07866 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [1,1,0,0,0,0|1,0,1]=4 67 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [1,1,0,0,0,0|1,0,1]=4 68 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.4 C(CC(=O)O)CN ACT11886 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.4 C(\C=C\C(=O)O)Cl ACT11965 [1,1,0,0,0,0|1,0,0]=3 71 B6R0.4 CC(=O)CCCO ACT07203 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.7 CC(=O)C(C)(C)O ACT02809 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.3 CCOC(=O)[C@H](CO)N ACT07709 [0,2,0,0,0,0|1,0,1]=4 74 B8R0.3 CCOC(=O)\C(=N\O)\Cl ACT04467 [0,2,0,0,0,0|2,0,0]=4 75 B8R1.4 C1C(=O)OC(=O)CS1 ACT03974 [0,0,0,1,0,1|1,1,0]=4 76 B8R1.18 C1[C@H](C(=O)OC1=O)N ACT04893 [0,0,0,1,0,1|2,0,0]=4 77 B8R1.18 CC1CC(=O)NC1=O ACT09858 [0,0,0,1,0,1|2,0,0]=4 78 B8R1.7 C1COC=C1C(=O)O ACT10735 [0,1,0,1,0,0|1,0,0]=3 79 B8R1.7 C1COC[C@H]1C(=O)O ACT09087 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.50 C1CC(=O)N(C1=O)O ACT08453 [0,1,0,1,0,0|2,0,0]=4 81 B8R0.9 C(C(=O)NCC(=O)O)N ACT05216 [0,0,0,0,0,2|1,0,0]=3