0 B8R1.4 C1C(=O)OC(=O)CS1 ACT03974 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.4 C1CNC(=O)CC1O ACT02046 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.4 C1CNC(=O)C[C@H]1O ACT09754 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 C1CC(CNC1)O ACT02059 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.3 C1CC(COC1)O ACT09202 [1,0,0,0,0,0|2,0,0]=3 5 B7R1.3 C1CC=CC(C1)O ACT10372 [1,0,0,0,0,0|1,0,1]=3 6 B7R1.3 C1CCN(CC1)N ACT09283 [1,0,0,0,0,0|2,0,0]=3 7 B7R1.3 C1CCN(CC1)O ACT09755 [1,0,0,0,0,0|1,0,1]=3 8 B7R1.3 C1CNCCC1=O ACT02123 [1,0,0,0,0,0|1,0,0]=2 9 B7R1.3 C1CNCCC1Br ACT08302 [1,0,0,0,0,0|2,0,1]=4 10 B7R1.3 C1CNCCC1N ACT05214 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.3 C1CNCCC1N ACT09600 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.3 C1CNCCC1O ACT02058 [1,0,0,0,0,0|1,0,2]=4 13 B7R1.3 C1COCCC1=O ACT01867 [1,0,0,0,0,0|1,0,0]=2 14 B7R1.3 C1COCCC1O ACT01892 [1,0,0,0,0,0|1,0,2]=4 15 B7R1.3 C1C[C@@H](CNC1)O ACT02045 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.3 C1C[C@H](CNC1)N ACT04891 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.3 C1C[C@H](CNC1)O ACT02079 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 C[C@@H]1CCCCN1 ACT09105 [1,0,0,0,0,0|1,0,1]=3 19 B7R1.3 C[C@@H]1CNCCN1 ACT11136 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.3 C[C@H]1CCCCN1 ACT09533 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.2 CN1CCCC(C1)CO ACT04179 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.69 CC1CN(CCC1=O)C ACT05241 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.2 C([C@H](CN)O)C(=O)O ACT10094 [0,0,1,0,0,0|3,0,0]=4 24 B7R0.2 CC(C)C[C@@H](CO)N ACT04160 [0,0,1,0,0,0|2,0,1]=4 25 B7R0.2 CC(C)C[C@H](CO)N ACT04161 [0,0,1,0,0,0|2,0,1]=4 26 B7R0.2 CC[C@H](C)CC(=O)O ACT09115 [0,0,1,0,0,0|1,0,0]=2 27 B7R0.2 C[C@H](CC(=O)OC)O ACT06831 [0,0,1,0,0,0|2,0,0]=3 28 B7R0.4 C(CCN)CC(=O)O ACT10888 [0,0,1,0,0,0|2,0,0]=3 29 B7R0.4 C(CCl)OCC(=O)N ACT03751 [0,0,1,0,0,0|3,0,0]=4 30 B7R0.4 CC(=O)CCCCBr ACT03439 [0,0,1,0,0,0|1,0,0]=2 31 B7R0.4 CC(C)CCON=O ACT05198 [0,0,1,0,0,0|2,0,0]=3 32 B7R0.7 CCCC(C)CC=S ACT06342 [0,0,1,0,0,0|0,1,0]=2 33 B7R0.7 CCOC(=O)C#CC ACT02922 [0,0,1,0,0,0|1,0,2]=4 34 B7R0.7 CCOC(=O)CCN ACT00057 [0,0,1,0,0,0|2,0,0]=3 35 B7R0.7 CCOC(=O)CNC ACT08249 [0,0,1,0,0,0|2,0,0]=3 36 B7R0.7 CCOC(=O)C[N+]#[C-] ACT02731 [0,0,1,0,0,0|2,0,1]=4 37 B9R2.39 C1C2C=CC1NC2=O ACT05289 [0,0,0,1,0,0|1,0,2]=4 38 B7R1.2 C1CC(=O)OC1=O ACT11409 [0,0,0,0,1,0|2,0,1]=4 39 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [0,0,0,0,1,0|2,0,0]=3 40 B7R1.2 CN1CCC(C1)O ACT03466 [0,0,0,0,1,0|1,0,2]=4 41 B7R1.2 CN1CC[C@@H](C1)N ACT10431 [0,0,0,0,1,0|2,0,1]=4 42 B7R1.2 CN1CC[C@@H](C1)O ACT05086 [0,0,0,0,1,0|1,0,2]=4 43 B7R1.2 CN1CC[C@H](C1)O ACT05087 [0,0,0,0,1,0|1,0,2]=4 44 B7R1.4 C1C(C(=O)NO1)N ACT10891 [0,0,0,0,1,0|3,0,0]=4 45 B7R1.4 C1CNC(=O)C1N ACT09401 [0,0,0,0,1,0|2,0,0]=3 46 B7R1.4 C1[C@@H](C(=O)NO1)N ACT10801 [0,0,0,0,1,0|3,0,0]=4 47 B7R1.4 C1[C@H](C(=O)NO1)N ACT04767 [0,0,0,0,1,0|3,0,0]=4 48 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,0,0,0,1,0|1,0,0]=2 49 B7R1.4 CC1C(=O)CCS1 ACT06593 [0,0,0,0,1,0|1,0,0]=2 50 B9R1.49 CN1CCC(=O)NCC1 ACT09833 [0,0,0,0,0,1|2,0,0]=3 51 B6R0.1 CCCC(=O)SC ACT06405 [1,0,1,0,0,0|1,0,0]=3 52 B6R0.1 CCCC(C=C)O ACT06034 [1,0,1,0,0,0|1,0,1]=4 53 B6R0.1 CCOC(=O)CBr ACT01957 [1,0,1,0,0,0|2,0,0]=4 54 B6R0.1 CCOC(=O)CN ACT03311 [1,0,1,0,0,0|2,0,0]=4 55 B6R0.1 CC\C=C(/C)\C=O ACT06055 [1,0,1,0,0,0|0,0,2]=4 56 B6R0.1 CNCC(=O)OC ACT07185 [1,0,1,0,0,0|2,0,0]=4 57 B6R0.1 COC(=O)CCN ACT07866 [1,0,1,0,0,0|2,0,0]=4 58 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [1,0,1,0,0,0|2,0,0]=4 59 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [1,0,1,0,0,0|2,0,0]=4 60 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [1,0,1,0,0,0|2,0,0]=4 61 B6R0.4 C(CC(=O)O)CN ACT11886 [1,0,1,0,0,0|2,0,0]=4 62 B6R0.4 CC(=O)CCCO ACT07203 [1,0,1,0,0,0|1,0,0]=3 63 B6R0.4 CC(=O)NCCCl ACT10150 [1,0,1,0,0,0|2,0,0]=4 64 B6R0.4 CC(C)CON=O ACT08297 [1,0,1,0,0,0|2,0,0]=4 65 B6R0.4 CCCSC(=O)C ACT06394 [1,0,1,0,0,0|1,0,0]=3 66 B6R0.6 C=CCCCCCl ACT10617 [1,0,1,0,0,0|1,0,1]=4 67 B6R0.6 C=CCCCCO ACT10087 [1,0,1,0,0,0|1,0,1]=4 68 B6R0.6 CCC\C=C\C=O ACT06041 [1,0,1,0,0,0|0,0,2]=4 69 B6R0.6 CNCCCNC ACT10138 [1,0,1,0,0,0|2,0,0]=4 70 B6R1.1 C1COCCO1 ACT10984 [2,0,0,0,0,0|2,0,0]=4 71 B6R1.1 C1COCCO1 ACT10984 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.2 CC(C)C(C(=O)OC)Br ACT03009 [0,1,1,0,0,0|1,0,0]=3 73 B8R0.2 CC(C)[C@@H](C(=O)OC)N ACT08510 [0,1,1,0,0,0|1,0,0]=3 74 B8R0.2 CC(C)[C@H](C(=O)OC)N ACT07567 [0,1,1,0,0,0|1,0,0]=3 75 B8R0.2 C[C@H]([C@@H](C(=O)O)N)OC ACT05274 [0,1,1,0,0,0|2,0,0]=4 76 B8R0.23 CC(C)[C@H](CC(=O)O)N ACT09686 [0,1,1,0,0,0|2,0,0]=4 77 B8R0.24 CC(C)(C)OC(=O)CBr ACT01959 [0,1,1,0,0,0|2,0,0]=4 78 B8R0.24 CC(C)(C)OC(=O)CCl ACT03419 [0,1,1,0,0,0|2,0,0]=4 79 B8R0.24 CC(C)(C)OC(=O)CN ACT02827 [0,1,1,0,0,0|2,0,0]=4 80 B8R0.34 CC(=O)CC(C)(C)SC ACT06334 [0,1,1,0,0,0|1,0,0]=3 81 B8R0.6 CCCCCC(CC)O ACT06057 [0,1,1,0,0,0|0,0,2]=4 82 B8R0.6 COCCCC(=O)OC ACT03831 [0,1,1,0,0,0|1,0,0]=3 83 B8R0.7 C#CCCCCC(=O)O ACT09524 [0,1,1,0,0,0|1,0,1]=4 84 B8R0.8 CCCCC(C(=O)O)Br ACT02064 [0,1,1,0,0,0|1,0,0]=3 85 B8R0.21 CCCCCS(=O)(=O)[O-] ACT04175 [0,1,1,0,0,0|2,0,0]=4 86 B8R0.28 CN(C)CCCC(=O)O ACT10895 [0,1,1,0,0,0|1,0,0]=3 87 B8R0.1 CCOC(=O)CCCBr ACT03470 [0,1,1,0,0,0|1,0,0]=3 88 B8R0.1 CCOC(=O)CCSC ACT06366 [0,1,1,0,0,0|1,0,0]=3 89 B8R0.1 CCOC(=O)NCCCl ACT09961 [0,1,1,0,0,0|2,0,0]=4 90 B8R0.3 CCC(C(=O)OCC)Br ACT02390 [0,1,1,0,0,0|1,0,0]=3 91 B8R0.3 CCOC(=O)[C@H](CO)N ACT07709 [0,1,1,0,0,0|2,0,0]=4 92 B8R0.3 CCOC(=O)[C@H](CS)N ACT08955 [0,1,1,0,0,0|2,0,0]=4 93 B8R0.22 CCCC(CCO)SC ACT06344 [0,1,1,0,0,0|0,0,2]=4 94 B8R1.2 C1CC(CNC1)CO ACT04176 [1,1,0,0,0,0|1,0,0]=3 95 B8R1.2 C1CCC(CC1)CO ACT10090 [1,1,0,0,0,0|0,0,1]=3 96 B8R1.2 C1CCNC(C1)CO ACT02103 [1,1,0,0,0,0|1,0,1]=4 97 B8R1.2 C1CCN[C@@H](C1)CO ACT09705 [1,1,0,0,0,0|1,0,1]=4 98 B8R1.2 C1CCN[C@H](C1)CO ACT09534 [1,1,0,0,0,0|1,0,1]=4 99 B8R1.2 C1CN(CCN1)C=O ACT08513 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.2 C1CNCCC1CO ACT02060 [1,1,0,0,0,0|1,0,1]=4 101 B8R1.2 C1COCC(N1)CO ACT07199 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.2 C1COCCC1C=O ACT10828 [1,1,0,0,0,0|1,0,1]=4 103 B8R1.2 C1COCCC1CN ACT01866 [1,1,0,0,0,0|1,0,1]=4 104 B8R1.2 C1COCCC1CO ACT04637 [1,1,0,0,0,0|1,0,1]=4 105 B8R1.2 CNC1CCOCC1 ACT10530 [1,1,0,0,0,0|1,0,1]=4 106 B8R1.3 C1CC(=O)NCC1O ACT09193 [1,1,0,0,0,0|1,0,0]=3 107 B8R1.3 C1CC(=O)NC[C@H]1O ACT09390 [1,1,0,0,0,0|1,0,0]=3 108 B8R1.3 C1[C@@H](CC[C@H](C1)N)N ACT02728 [1,1,0,0,0,0|1,0,1]=4 109 B8R1.3 CN1CCC(=O)CC1 ACT04210 [1,1,0,0,0,0|1,0,0]=3 110 B8R1.3 CN1CCC(CC1)Cl ACT02144 [1,1,0,0,0,0|1,0,1]=4 111 B8R1.3 CN1CCC(CC1)Cl ACT04219 [1,1,0,0,0,0|1,0,1]=4 112 B8R1.3 CN1CCC(CC1)O ACT04216 [1,1,0,0,0,0|1,0,1]=4 113 B8R1.5 C1CCC(C(C1)N)N ACT11641 [1,1,0,0,0,0|1,0,1]=4 114 B8R1.5 C1CC[C@@H]([C@H](C1)N)N ACT02838 [1,1,0,0,0,0|1,0,1]=4 115 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT03415 [1,1,0,0,0,0|1,0,1]=4 116 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT11629 [1,1,0,0,0,0|1,0,1]=4 117 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT11642 [1,1,0,0,0,0|1,0,1]=4 118 B8R1.5 C1C[C@@H](C(=O)NC1)N ACT09712 [1,1,0,0,0,0|1,0,0]=3 119 B8R1.5 CC1CNCCC1=O ACT09743 [1,1,0,0,0,0|1,0,0]=3 120 B8R1.72 C1CS(=O)(=O)CCN1 ACT01985 [1,1,0,0,0,0|2,0,0]=4 121 B8R1.72 CC1(CCCCC1)O ACT11541 [1,1,0,0,0,0|0,0,1]=3 122 B8R1.1 C1CC(=O)N[C@@H]1CO ACT04172 [0,1,0,0,1,0|1,0,0]=3 123 B8R1.1 C1CC(=O)N[C@H]1CO ACT04367 [0,1,0,0,1,0|1,0,0]=3 124 B8R1.18 CC1CC(=O)NC1=O ACT09858 [0,1,0,0,1,0|1,0,1]=4 125 B8R1.11 CN1CCCC1CO ACT09599 [0,1,0,0,1,0|2,0,0]=4 126 B8R1.11 CN1CCC[C@@H]1CO ACT10747 [0,1,0,0,1,0|2,0,0]=4 127 B8R1.11 CN1CCC[C@H]1CO ACT09566 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.113 C1CC(NC(=O)C1)C(=O)O ACT09643 [0,2,0,0,0,0|1,0,1]=4 129 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O ACT10129 [0,2,0,0,0,0|1,0,1]=4 130 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O ACT09572 [0,2,0,0,0,0|1,0,1]=4 131 B8R1.7 C1COC[C@H]1C(=O)O ACT09087 [0,0,1,1,0,0|2,0,0]=4 132 B8R1.7 C1C[C@@H](NC1)C(=O)N ACT05031 [0,0,1,1,0,0|2,0,0]=4 133 B8R1.7 C1C[C@@H](NC1)C(=O)O ACT05623 [0,0,1,1,0,0|2,0,0]=4 134 B8R1.7 C1C[C@H](NC1)C(=O)N ACT05030 [0,0,1,1,0,0|2,0,0]=4 135 B6R0.3 CC(CN)C(=O)O ACT09241 [0,0,1,0,1,0|2,0,0]=4 136 B6R0.3 CCC(=O)N(C)C ACT06844 [0,0,1,0,1,0|1,0,0]=3 137 B6R0.3 CCC(C(=O)C)S ACT06317 [0,0,1,0,1,0|1,0,0]=3 138 B6R0.3 CCC(C(=O)O)Br ACT02003 [0,0,1,0,1,0|2,0,0]=4 139 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [0,0,1,0,1,0|2,0,0]=4 140 B6R0.3 CN(C)C(=O)CCl ACT03938 [0,0,1,0,1,0|2,0,0]=4 141 B6R0.3 C[C@@H](C(=O)OC)N ACT02716 [0,0,1,0,1,0|2,0,0]=4 142 B6R0.3 C[C@@H](C(=O)OC)N ACT07687 [0,0,1,0,1,0|2,0,0]=4 143 B6R0.3 C[C@H](C(=O)OC)N ACT07214 [0,0,1,0,1,0|2,0,0]=4 144 B6R1.2 C1C=CCC1N ACT10576 [1,0,0,0,1,0|1,0,1]=4 145 B6R1.2 C1CNC[C@@H]1N ACT06688 [1,0,0,0,1,0|2,0,0]=4 146 B6R1.2 C1CNC[C@@H]1O ACT01716 [1,0,0,0,1,0|2,0,0]=4 147 B6R1.2 C1CNC[C@H]1N ACT04905 [1,0,0,0,1,0|2,0,0]=4 148 B6R1.2 C1CNC[C@H]1O ACT00442 [1,0,0,0,1,0|2,0,0]=4 149 B6R1.2 C1COC[C@@H]1O ACT10453 [1,0,0,0,1,0|2,0,0]=4 150 B6R1.2 C1COC[C@H]1N ACT06806 [1,0,0,0,1,0|2,0,0]=4 151 B6R1.2 C1COC[C@H]1O ACT05256 [1,0,0,0,1,0|2,0,0]=4 152 B6R1.2 C[C@@H]1CCNC1 ACT09361 [1,0,0,0,1,0|1,0,0]=3 153 B6R1.2 C[C@H]1CCCN1 ACT06587 [1,0,0,0,1,0|1,0,0]=3 154 B6R1.2 C[C@H]1CCNC1 ACT11957 [1,0,0,0,1,0|1,0,0]=3