0 B5R0.3 C=CC(C)C#N 5710AL [0,0,0,0,0,0|1,0,3]=4 1 B5R0.3 C=CC(C)CC 6094AL [0,0,0,0,0,0|1,0,1]=2 2 B5R0.3 C=CC(O)CC 7733AJ [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 C=CC(O)CO V0531 [0,0,0,0,0,0|1,1,2]=4 4 B5R0.3 C=C[C@@H](N)CO 3384AB [0,0,0,0,0,0|1,1,2]=4 5 B5R0.3 C=C[C@H](N)CO W4532 [0,0,0,0,0,0|1,1,2]=4 6 B5R0.3 CCC(=O)NC 7273AF [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 CCC(=O)NN 6023AE [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CCC(C)C=O 7969AJ [0,0,0,0,0,0|0,1,1]=2 9 B5R0.3 CCC(C)CC 6117AL [0,0,0,0,0,0|1,0,0]=1 10 B5R0.3 CCC(C)CI 4886AL [0,0,0,0,0,0|1,0,0]=1 11 B5R0.3 CCC(C)NC 9511AE [0,0,0,0,0,0|2,0,0]=2 12 B5R0.3 CCC(C)NN 0007AD [0,0,0,0,0,0|2,0,0]=2 13 B5R0.3 CCC(O)CN 6349AA [0,0,0,0,0,0|2,0,0]=2 14 B5R0.3 CCN(C)CC 7490AH [0,0,0,0,0,0|2,0,0]=2 15 B5R0.3 CC[C@H](O)CO 1422AC [0,0,0,0,0,0|1,1,0]=2 16 B5R0.3 CC\C(N)=N\O 9295AD [0,0,0,0,0,0|2,1,1]=4 17 B5R0.3 CON(C)C=O 3547AB [0,0,0,0,0,0|2,1,1]=4 18 B5R0.3 C\C=C(/C)C#N 5703AL [0,0,0,0,0,0|1,0,3]=4 19 B5R0.3 NC(CO)CO V0534 [0,0,0,0,0,0|2,1,0]=3 20 B5R0.3 NCC(O)CCl Z2000 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.3 O=CC(O)CO 6635AH [0,0,0,0,0,0|2,1,1]=4 22 B5R0.3 OCC(S)CS F878 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 C#CC(C)N 6477AH [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 C=CC(C)O 6444AE [1,0,0,0,0,0|0,1,2]=4 25 B4R0.1 CC(Br)C#N X7909 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CC(C)=CBr X6156 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 CC(C)CN 8086AL [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 CC(Cl)C#N 2066AL [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(O)CCl 7057AF [1,0,0,0,0,0|1,1,0]=3 30 B4R0.1 CCC(N)=S 9153AL [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CO[SiH](C)C 3278AL [1,0,0,0,0,0|1,1,0]=3 32 B4R0.1 NCC(F)F 9861AE [1,0,0,0,0,0|3,0,0]=4 33 B4R0.2 C#CCCI 6186AJ [1,0,0,0,0,0|1,0,2]=4 34 B4R0.2 C#CCCN 6476AH [1,0,0,0,0,0|1,0,2]=4 35 B4R0.2 C=CCCC 7306AF [1,0,0,0,0,0|1,0,1]=3 36 B4R0.2 C=CCCN 2362AH [1,0,0,0,0,0|1,0,2]=4 37 B4R0.2 C=CSCC 7899AL [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 CCC#CI 4805AL [1,0,0,0,0,0|1,0,2]=4 39 B4R0.2 CCCC#N A365 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.2 CCCCC 8942AJ [1,0,0,0,0,0|1,0,0]=2 41 B4R0.2 CCCCN 7306AL [1,0,0,0,0,0|1,0,0]=2 42 B4R0.2 CCCCS 4787AL [1,0,0,0,0,0|0,0,0]=1 43 B4R0.2 CCNCC 7648AL [1,0,0,0,0,0|2,0,0]=3 44 B4R0.2 CCNCC 7649AL [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 CCNCC 7650AL [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 CCOC=N M412 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 CNCCN X9276 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 CSCCO U461 [1,0,0,0,0,0|1,1,0]=3 49 B4R0.2 C\C=C\CC 7309AF [1,0,0,0,0,0|1,0,2]=4 50 B4R0.2 ClCSCCl 7220AL [1,0,0,0,0,0|3,0,0]=4 51 B4R0.2 NCCCN 7173AL [1,0,0,0,0,0|2,0,0]=3 52 B4R0.2 NCCCO 5983AL [1,0,0,0,0,0|1,1,0]=3 53 B4R0.2 NCCON W5869 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.2 NOCCO 5251AJ [1,0,0,0,0,0|2,1,0]=4 55 B6R0.1 C=CC(O)CCC I123 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.1 CC(CO)CCN 2620AL [0,1,0,0,0,0|0,1,0]=2 57 B6R0.1 CCC(=O)CC#N 0486AE [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 CCC(C)N=C=O 4892AD [0,1,0,0,0,0|0,1,1]=3 59 B6R0.1 CCC(O)COC 4893AL [0,1,0,0,0,0|1,1,0]=3 60 B6R0.1 CCCC(C)CCl 4812AL [0,1,0,0,0,0|1,0,0]=2 61 B6R0.1 CCNC(=O)CC 8553AL [0,1,0,0,0,0|2,0,1]=4 62 B6R0.1 CCOC(=O)CI 7240AF [0,1,0,0,0,0|2,0,1]=4 63 B6R0.1 C[C@@H](CO)CCN 4158AL [0,1,0,0,0,0|0,1,0]=2 64 B6R0.1 ClCC(Cl)CCBr 4770AL [0,1,0,0,0,0|2,0,0]=3 65 B6R0.1 OC(CCl)CCCl 4625AL [0,1,0,0,0,0|2,0,0]=3 66 B6R0.3 CC(=O)C(C)C#N 6171AB [0,1,0,0,0,0|1,0,2]=4 67 B6R0.3 CC(C)C(=O)CBr W4222 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 CC(CN)C(=O)O B714 [0,1,0,0,0,0|1,1,1]=4 69 B6R0.3 CC(O)C(O)CO 4398AL [0,1,0,0,0,0|1,1,0]=3 70 B6R0.3 CCC(Br)C(=O)Cl 5533AL [0,1,0,0,0,0|1,1,1]=4 71 B6R0.3 CCC(Cl)C(=O)O 7236AF [0,1,0,0,0,0|1,1,1]=4 72 B6R0.3 CCC(O)C(=O)O Z2570 [0,1,0,0,0,0|1,1,1]=4 73 B6R0.3 CCC(O)C(C)C 8275AB [0,1,0,0,0,0|2,0,0]=3 74 B6R0.3 CC[C@H](N)C(N)=O V3235 [0,1,0,0,0,0|1,1,1]=4 75 B6R0.3 CNC(C)C(=O)O 0549AP [0,1,0,0,0,0|1,1,1]=4 76 B6R0.3 COC(C)C(C)O V6491 [0,1,0,0,0,0|1,1,0]=3 77 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,1,0,0,0,0|1,1,1]=4 78 B6R0.3 C[C@H](CN)C(=O)O 5992AA [0,1,0,0,0,0|1,1,1]=4 79 B6R0.3 C[C@H](CO)C(=O)O 9933AA [0,1,0,0,0,0|1,1,1]=4 80 B6R0.3 C[C@H](O)[C@@H](N)CO W6337 [0,1,0,0,0,0|1,1,0]=3 81 B6R0.8 C#CC(C)(N)CC X8885 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.8 CC(C)(C#N)CO 0005AB [0,1,0,0,0,0|1,1,1]=4 83 B6R0.8 CCC(C)(N)C#N Z4767 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.8 CNC(C)(C)CO 5580AJ [0,1,0,0,0,0|1,1,0]=3 85 B6R0.8 COC(C)(C)CN 0561AA [0,1,0,0,0,0|2,0,0]=3 86 B6R0.8 COC(C)(C)CN 4739AC [0,1,0,0,0,0|2,0,0]=3 87 B6R0.8 NCC(F)(F)CO V7051 [0,1,0,0,0,0|2,1,0]=4 88 B6R0.9 CC=C(CC)CC 6043AL [0,1,0,0,0,0|1,0,1]=3 89 B6R0.9 CCN(CC)CC C978 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.9 CCN(CC)CC X6424 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.9 COC(CO)OC 3441AL [0,1,0,0,0,0|1,1,0]=3 92 B6R0.9 OCC(CO)CO 6412AB [0,1,0,0,0,0|1,1,0]=3 93 B6R1.2 BrC1CCNC1 X9668 [0,0,0,1,0,0|2,0,0]=3 94 B6R1.2 BrC1CCOC1 W4135 [0,0,0,1,0,0|1,1,0]=3 95 B6R1.2 CC1CCCN1 2138AL [0,0,0,1,0,0|2,0,0]=3 96 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,1,0,0|1,0,0]=2 97 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,1,0,0|1,0,0]=2 98 B6R1.2 ClC1CCCC1 H294 [0,0,0,1,0,0|2,0,0]=3 99 B6R1.2 ClC1CCOC1 X2032 [0,0,0,1,0,0|1,1,0]=3 100 B6R1.2 N[C@@H]1CCOC1 X8829 [0,0,0,1,0,0|1,1,0]=3 101 B6R1.2 O=S1CCCC1 X4814 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.6 BrCC1COC1 2022AJ [0,0,0,1,0,0|1,1,0]=3 103 B6R1.6 CNC1CCC1 4414AJ [0,0,0,1,0,0|2,0,0]=3 104 B6R1.6 ICC1CCO1 1038AD [0,0,0,1,0,0|2,0,0]=3 105 B6R1.6 N#CC1CNC1 W5620 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.6 NCC1CCC1 W6312 [0,0,0,1,0,0|1,0,0]=2 107 B6R1.6 NCC1CCC1 W6876 [0,0,0,1,0,0|1,0,0]=2 108 B6R1.6 NCC1CNC1 W4567 [0,0,0,1,0,0|2,0,0]=3 109 B6R1.6 NCC1COC1 4443AJ [0,0,0,1,0,0|1,1,0]=3 110 B6R1.6 NNC1CCC1 2537AA [0,0,0,1,0,0|2,0,0]=3 111 B6R1.6 NNC1CCC1 W3433 [0,0,0,1,0,0|2,0,0]=3 112 B6R1.6 OCC1CCO1 Z4942 [0,0,0,1,0,0|1,1,0]=3 113 B6R1.6 OCC1CNC1 W9563 [0,0,0,1,0,0|1,1,0]=3 114 B6R1.6 OCC1CNC1 Y5829 [0,0,0,1,0,0|1,1,0]=3 115 B6R1.7 CC1(CO)CC1 8973AD [0,0,0,1,0,0|0,1,0]=2 116 B6R1.7 NC1(CO)CC1 X9119 [0,0,0,1,0,0|1,1,0]=3 117 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,0]=3 118 B3R0.1 CCCS 7738AJ [2,0,0,0,0,0|0,0,0]=2 119 B3R0.1 CCNO X5655 [2,0,0,0,0,0|1,1,0]=4 120 B3R0.1 ClCCI 4811AL [2,0,0,0,0,0|2,0,0]=4 121 B3R0.1 FCCI V7660 [2,0,0,0,0,0|2,0,0]=4 122 B3R0.1 NCCN 7518AA [2,0,0,0,0,0|2,0,0]=4 123 B3R0.1 NCCN 8659AJ [2,0,0,0,0,0|2,0,0]=4 124 B3R0.2 C=C(C)C 5301AF [2,0,0,0,0,0|0,0,2]=4 125 B3R0.2 [BH3-][NH+](C)C 8584AJ [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 C#CCC(C)C 8172AJ [1,1,0,0,0,0|0,0,1]=3 127 B5R0.1 C=C(C)CCBr Z4377 [1,1,0,0,0,0|0,0,2]=4 128 B5R0.1 C=C(C)CCC 5700AL [1,1,0,0,0,0|0,0,2]=4 129 B5R0.1 CC(C)=CCBr Z1911 [1,1,0,0,0,0|0,0,2]=4 130 B5R0.1 CC(C)CCI X5313 [1,1,0,0,0,0|0,0,0]=2 131 B5R0.1 CC(C)CNN Z1645 [1,1,0,0,0,0|1,0,0]=3 132 B5R0.1 CC(C)OC=O 7262AF [1,1,0,0,0,0|0,1,1]=4 133 B5R0.1 CC(N)CCO Z2685 [1,1,0,0,0,0|1,0,0]=3 134 B5R0.1 CN(C)CC=O 4924AA [1,1,0,0,0,0|1,0,1]=4 135 B5R0.1 COCC(C)=O U020 [1,1,0,0,0,0|0,1,1]=4 136 B5R0.1 COCC(C)N 0442AC [1,1,0,0,0,0|1,0,0]=3 137 B5R0.1 COC[C@@H](C)N W7467 [1,1,0,0,0,0|1,0,0]=3 138 B5R0.1 CSC=[N+](C)C 8446AL [1,1,0,0,0,0|1,0,1]=4 139 B5R0.1 CSCC(C)=O Y1373 [1,1,0,0,0,0|0,1,1]=4 140 B5R0.1 CSCS(C)=O E772 [1,1,0,0,0,0|1,1,0]=4 141 B5R0.1 C[C@H](N)CCO W7371 [1,1,0,0,0,0|1,0,0]=3 142 B5R0.4 C=CC(C)(C)C 5869AL [1,1,0,0,0,0|0,0,2]=4 143 B5R0.4 CC(C)(C)CN 8004AA [1,1,0,0,0,0|1,0,0]=3 144 B5R0.4 CC(C)(C)NO B804 [1,1,0,0,0,0|1,1,0]=4 145 B5R0.4 CC(C)(F)CBr 5101AJ [1,1,0,0,0,0|1,0,0]=3 146 B5R0.4 CC(C)(N)CO 4971AH [1,1,0,0,0,0|0,1,0]=3 147 B5R0.4 CC(F)(F)CN V8232 [1,1,0,0,0,0|2,0,0]=4 148 B5R0.4 CCC(C)(C)Br 5515AL [1,1,0,0,0,0|0,0,0]=2 149 B5R0.4 CCC(C)(C)Cl 5561AL [1,1,0,0,0,0|0,0,0]=2 150 B5R0.4 CCS(C)(=O)=O F876 [1,1,0,0,0,0|1,1,0]=4 151 B5R0.4 CO[Si](C)(C)C X3592 [1,1,0,0,0,0|1,1,0]=4 152 B5R0.4 C[N+](C)(C)CI 2479AE [1,1,0,0,0,0|2,0,0]=4 153 B5R0.4 C[Si](C)(C)CBr 4095AL [1,1,0,0,0,0|1,1,0]=4 154 B5R0.4 C[Si](C)(C)CO X6387 [1,1,0,0,0,0|0,2,0]=4 155 B5R0.4 C[Si](C)(Cl)CCl 8463AJ [1,1,0,0,0,0|1,1,0]=4 156 B5R0.5 CC(=O)N(C)C B355 [1,1,0,0,0,0|1,0,1]=4 157 B5R0.5 CC(=O)[C@H](C)N 2350AA [1,1,0,0,0,0|0,1,1]=4 158 B5R0.5 CC(C)C(=O)[O-] 7249AF [1,1,0,0,0,0|0,1,1]=4 159 B5R0.5 CC(C)C(C)O 6096AL [1,1,0,0,0,0|0,0,0]=2 160 B5R0.5 CC(C)S(=O)[O-] 4057AH [1,1,0,0,0,0|1,1,0]=4 161 B5R0.5 CC(S)C(C)S 9352AJ [1,1,0,0,0,0|0,0,0]=2 162 B5R0.5 CN(C)C(=S)S 7714AL [1,1,0,0,0,0|1,0,1]=4 163 B5R0.2 C=CCCCN 2628AB [1,1,0,0,0,0|1,0,1]=4 164 B5R0.2 CC#CCCC 7448AF [1,1,0,0,0,0|1,0,1]=4 165 B5R0.2 CCCCON 7308AJ [1,1,0,0,0,0|0,1,0]=3 166 B5R0.2 CCCOC=O 8880AL [1,1,0,0,0,0|0,1,1]=4 167 B5R0.2 CCCSSC 8846AJ [1,1,0,0,0,0|1,0,0]=3 168 B5R0.2 CC\C=C/CC 7431AL [1,1,0,0,0,0|1,0,1]=4 169 B5R0.2 CC\C=C/CO 3214AL [1,1,0,0,0,0|0,1,1]=4 170 B5R0.2 CC\C=C\CC 3771AD [1,1,0,0,0,0|1,0,1]=4 171 B5R0.2 CNCCSC 7146AJ [1,1,0,0,0,0|1,0,0]=3 172 B5R0.2 COCCNN 5901AC [1,1,0,0,0,0|2,0,0]=4 173 B5R0.2 N#CCCCBr B613 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.2 NCCCCBr 4038AB [1,1,0,0,0,0|1,0,0]=3 175 B5R0.2 NCCCCBr Z4484 [1,1,0,0,0,0|1,0,0]=3 176 B5R0.2 NCCCCCl 9859AB [1,1,0,0,0,0|1,0,0]=3 177 B5R0.2 OCCNCO 5459AL [1,1,0,0,0,0|1,1,0]=4 178 B7R0.2 CCC(C)OC(C)=O 7525AF [0,2,0,0,0,0|0,1,1]=4 179 B7R0.2 CCC(N)CC(=O)O W4035 [0,2,0,0,0,0|1,1,0]=4 180 B7R0.2 CCN(C)CC(=O)O 9048AE [0,2,0,0,0,0|1,1,0]=4 181 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [0,2,0,0,0,0|0,1,0]=3 182 B7R0.2 CNC(C)CC(C)C 2627AF [0,2,0,0,0,0|2,0,0]=4 183 B7R0.3 C=CCCC(Br)CBr 4446AL [0,2,0,0,0,0|2,0,0]=4 184 B7R0.3 CCC(C)CN=C=S 3700AE [0,2,0,0,0,0|0,0,1]=3 185 B7R0.3 CCCCC(Br)CC 6006AL [0,2,0,0,0,0|2,0,0]=4 186 B7R0.3 CCCC[C@@H](N)CO V7833 [0,2,0,0,0,0|1,1,0]=4 187 B7R0.3 CCOCC(O)CCl 5717AB [0,2,0,0,0,0|2,0,0]=4 188 B7R0.3 OCCCC(O)CO 4412AL [0,2,0,0,0,0|1,1,0]=4 189 B7R0.5 CC(C)C(C)N=C=S 6785AD [0,2,0,0,0,0|0,0,2]=4 190 B7R0.5 CC(C)C(N)CCO 5799AJ [0,2,0,0,0,0|1,1,0]=4 191 B7R0.7 CCCC(C)CC=S U658 [0,2,0,0,0,0|0,0,1]=3 192 B7R0.7 CCCC(C)CCC 6609AL [0,2,0,0,0,0|1,0,0]=3 193 B7R0.7 CCCC(C)N=C=S 6786AD [0,2,0,0,0,0|0,0,2]=4 194 B7R0.7 CCCC(O)CCC 6512AL [0,2,0,0,0,0|2,0,0]=4 195 B7R0.7 CCCC(S)CCO U459 [0,2,0,0,0,0|1,1,0]=4 196 B7R0.7 CCNC(C)CCO 9482AE [0,2,0,0,0,0|0,1,0]=3 197 B7R0.7 CCOC(C)OCC U086 [0,2,0,0,0,0|1,0,0]=3 198 B7R0.7 CN(CCN)CCN 8596AL [0,2,0,0,0,0|2,0,0]=4 199 B7R0.7 COCC(C)N=C=S V5502 [0,2,0,0,0,0|0,0,2]=4 200 B7R0.10 CCC(C)C(=O)NN 8409AE [0,2,0,0,0,0|0,1,1]=4 201 B7R0.10 CC[C@@H](C)[C@@H](N)CO G876 [0,2,0,0,0,0|0,1,0]=3 202 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [0,2,0,0,0,0|1,0,1]=4 203 B7R0.10 COC(=O)[C@H](C)CBr 4182AL [0,2,0,0,0,0|1,0,1]=4 204 B7R0.10 COC(=O)[C@H](C)CO X3275 [0,2,0,0,0,0|0,1,1]=4 205 B7R0.10 COC(=O)[C@H](N)CS 8434AE [0,2,0,0,0,0|1,0,1]=4 206 B7R0.10 O[C@@H](CS)[C@@H](O)CS 7309AH [0,2,0,0,0,0|1,0,0]=3 207 B7R0.11 CCO[Si](C)(C)CCl 3206AL [0,2,0,0,0,0|1,1,0]=4 208 B7R0.11 C[N+](C)(CF)CCO 3959AE [0,2,0,0,0,0|2,0,0]=4 209 B7R0.12 CCC(CC)N=C=S 6784AD [0,2,0,0,0,0|0,0,2]=4 210 B7R0.13 CCC(C)(C)C(C)=O 0596AB [0,2,0,0,0,0|0,1,1]=4 211 B7R0.13 CC[C@@](C)(N)C(=O)O Q389 [0,2,0,0,0,0|0,1,1]=4 212 B7R0.14 CC(C)(C)C(N)CO 1480AJ [0,2,0,0,0,0|1,1,0]=4 213 B7R0.15 CCC(CC)C(C)=O 6697AE [0,2,0,0,0,0|1,0,0]=3 214 B7R0.15 CCC(CO)N(C)C 5536AD [0,2,0,0,0,0|0,1,0]=3 215 B7R0.15 CCC(NC)C(N)=O 1348AD [0,2,0,0,0,0|0,1,1]=4 216 B7R0.16 CC(C)C(C)C(=O)O 6994AA [0,2,0,0,0,0|0,1,1]=4 217 B7R0.18 CC[Ge](Cl)(CC)CC 9285AL [0,2,0,0,0,0|1,1,0]=4 218 B7R0.18 CC[Si](O)(CC)CC 9154AJ [0,2,0,0,0,0|1,1,0]=4 219 B5R1.2 BrC1CNC1 7707AB [1,0,0,1,0,0|2,0,0]=4 220 B5R1.2 CC1CNC1 W9623 [1,0,0,1,0,0|1,0,0]=3 221 B5R1.2 ClC1CCC1 Z7366 [1,0,0,1,0,0|1,0,0]=3 222 B5R1.2 ClC1CNC1 3365AB [1,0,0,1,0,0|2,0,0]=4 223 B5R1.2 FC1CNC1 X3056 [1,0,0,1,0,0|2,0,0]=4 224 B5R1.2 NC1CNC1 0554AA [1,0,0,1,0,0|2,0,0]=4 225 B5R1.2 NC1COC1 6668AB [1,0,0,1,0,0|1,1,0]=4 226 B5R1.2 O=C1CSC1 Z4430 [1,0,0,1,0,0|1,0,1]=4 227 B5R1.2 OC1CNC1 W6360 [1,0,0,1,0,0|1,1,0]=4 228 B5R1.3 CC[C@H]1CO1 7482AJ [1,0,0,1,0,0|0,1,0]=3 229 B5R1.3 NCC1CC1 Y1835 [1,0,0,1,0,0|1,0,0]=3 230 B5R1.5 CC1(N)CC1 W9186 [1,0,0,1,0,0|1,0,0]=3 231 B5R1.1 C1=CCCC1 7379AF [1,0,0,1,0,0|1,0,1]=4 232 B5R1.1 C1CCCC1 8499AJ [1,0,0,1,0,0|1,0,0]=3 233 B7R1.1 CNC1CCCC1 W8261 [0,1,0,1,0,0|1,0,0]=3 234 B7R1.1 CNC1CCCC1 Z4480 [0,1,0,1,0,0|1,0,0]=3 235 B7R1.1 COC1CCNC1 Z2737 [0,1,0,1,0,0|1,0,0]=3 236 B7R1.1 CO[C@@H]1CCNC1 Z4777 [0,1,0,1,0,0|1,0,0]=3 237 B7R1.1 CO[C@H]1CCNC1 Z5035 [0,1,0,1,0,0|1,0,0]=3 238 B7R1.1 ICC1CCOC1 3884AL [0,1,0,1,0,0|0,1,0]=3 239 B7R1.1 NCC1CCCC1 W7173 [0,1,0,1,0,0|1,0,0]=3 240 B7R1.1 NCC1CCCN1 W7106 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.1 NCC1CCCN1 W7375 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.1 NC[C@@H]1CCCN1 0819AA [0,1,0,1,0,0|1,0,0]=3 243 B7R1.1 NC[C@H]1CCCN1 Z3950 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.1 NNC1CCCC1 W7612 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.1 OCC1OCCO1 2093AL [0,1,0,1,0,0|1,1,0]=4 246 B7R1.1 OC[C@@H]1CCNC1 4311AA [0,1,0,1,0,0|0,1,0]=3 247 B7R1.1 OC[C@@H]1CCNC1 Z7301 [0,1,0,1,0,0|0,1,0]=3 248 B7R1.1 OC[C@@H]1CCOC1 4598AA [0,1,0,1,0,0|0,1,0]=3 249 B7R1.1 OC[C@H]1CCNC1 1914AA [0,1,0,1,0,0|0,1,0]=3 250 B7R1.2 CC1C=CC(C)N1 Y9566 [0,1,0,1,0,0|1,0,1]=4 251 B7R1.2 CC1CCC(=O)N1 1659AA [0,1,0,1,0,0|0,1,1]=4 252 B7R1.2 CN1CCC(N)C1 9936AH [0,1,0,1,0,0|2,0,0]=4 253 B7R1.2 CN1CCC(N)C1 X9823 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.2 CN1CC[C@@H](N)C1 3935AE [0,1,0,1,0,0|2,0,0]=4 255 B7R1.2 NC1CCC(O)C1 X9254 [0,1,0,1,0,0|1,1,0]=4 256 B7R1.2 N[C@@H]1CC[C@H](O)C1 4920AA [0,1,0,1,0,0|1,1,0]=4 257 B7R1.2 OC1CCC(O)C1 7614AJ [0,1,0,1,0,0|1,1,0]=4 258 B7R1.3 BrC1CCCOC1 X9769 [0,1,0,1,0,0|1,1,0]=4 259 B7R1.3 BrC1CCOCC1 W4892 [0,1,0,1,0,0|1,1,0]=4 260 B7R1.3 CC1=CCCNC1 V9748 [0,1,0,1,0,0|1,0,1]=4 261 B7R1.3 CC1COCCN1 W6211 [0,1,0,1,0,0|0,1,0]=3 262 B7R1.3 CN1CCNCC1 4120AB [0,1,0,1,0,0|2,0,0]=4 263 B7R1.3 C[C@@H]1CNCCO1 8974AH [0,1,0,1,0,0|1,0,0]=3 264 B7R1.3 C[C@@H]1CNCCO1 W3662 [0,1,0,1,0,0|1,0,0]=3 265 B7R1.3 C[C@@H]1COCCN1 X4857 [0,1,0,1,0,0|0,1,0]=3 266 B7R1.3 C[C@H]1CNCCO1 W8218 [0,1,0,1,0,0|1,0,0]=3 267 B7R1.3 C[C@H]1COCCN1 X4748 [0,1,0,1,0,0|0,1,0]=3 268 B7R1.3 ClC1CCNCC1 7684AB [0,1,0,1,0,0|2,0,0]=4 269 B7R1.3 ClC1CCNCC1 Q214 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.3 NC1CCCNC1 5237AE [0,1,0,1,0,0|2,0,0]=4 271 B7R1.3 NC1CCCOC1 X9447 [0,1,0,1,0,0|1,1,0]=4 272 B7R1.3 NC1CCSCC1 W4711 [0,1,0,1,0,0|1,0,0]=3 273 B7R1.3 N[C@@H]1CCCOC1 5857AA [0,1,0,1,0,0|1,1,0]=4 274 B7R1.3 O=C1CCCSC1 Z4344 [0,1,0,1,0,0|1,0,1]=4 275 B7R1.3 OC1CCSCC1 W5218 [0,1,0,1,0,0|1,0,0]=3 276 B7R1.3 O[C@@H]1CCCNC1 9408AB [0,1,0,1,0,0|2,0,0]=4 277 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,1,0,0|0,1,1]=4 278 B7R1.4 CC1CCOC1=O W3659 [0,1,0,1,0,0|0,1,1]=4 279 B7R1.4 CC1CSCC1=O 6972AB [0,1,0,1,0,0|0,0,1]=3 280 B7R1.4 CC1SCCC1=O 6512AA [0,1,0,1,0,0|0,1,1]=4 281 B7R1.4 CN1CCSC1=S 9921AA [0,1,0,1,0,0|1,0,1]=4 282 B7R1.4 NC1CCCC1O W9232 [0,1,0,1,0,0|1,1,0]=4 283 B7R1.4 N[C@@H]1CCC[C@@H]1O V0969 [0,1,0,1,0,0|1,1,0]=4 284 B7R1.4 N[C@@H]1CCC[C@H]1O V0968 [0,1,0,1,0,0|1,1,0]=4 285 B7R1.4 N[C@@H]1COC[C@@H]1N X8658 [0,1,0,1,0,0|1,1,0]=4 286 B7R1.4 N[C@@H]1COC[C@H]1O 4689AJ [0,1,0,1,0,0|1,1,0]=4 287 B7R1.4 N[C@H]1CCC[C@H]1O V0971 [0,1,0,1,0,0|1,1,0]=4 288 B7R1.4 OC1CCCC1O 5008AJ [0,1,0,1,0,0|1,1,0]=4 289 B7R1.4 O[C@@H]1CCC[C@H]1O 6973AB [0,1,0,1,0,0|1,1,0]=4 290 B7R1.4 O[C@H]1CNC[C@@H]1O Z5315 [0,1,0,1,0,0|1,1,0]=4 291 B7R1.6 CCOC1CNC1 V6478 [0,1,0,1,0,0|1,0,0]=3 292 B7R1.6 COCC1CNC1 2582AD [0,1,0,1,0,0|1,0,0]=3 293 B7R1.6 COCC1CNC1 Z5376 [0,1,0,1,0,0|1,0,0]=3 294 B7R1.6 OCCC1COC1 1983AB [0,1,0,1,0,0|0,1,0]=3 295 B7R1.10 CCN1CC(N)C1 9834AH [0,1,0,1,0,0|2,0,0]=4 296 B7R1.10 CCN1CC(O)C1 4525AB [0,1,0,1,0,0|1,1,0]=4 297 B7R1.10 OCC1CC(Cl)C1 8034AA [0,1,0,1,0,0|0,1,0]=3 298 B7R1.25 CC1(C=O)COC1 6969AC [0,1,0,1,0,0|0,1,1]=4 299 B7R1.25 CC1(CI)COC1 Z7396 [0,1,0,1,0,0|1,0,0]=3 300 B7R1.25 CC1(CN)COC1 W3338 [0,1,0,1,0,0|1,0,0]=3 301 B7R1.25 CC1(CO)CSC1 5905AE [0,1,0,1,0,0|0,1,0]=3 302 B7R1.25 COC1(C)CNC1 5082AC [0,1,0,1,0,0|2,0,0]=4 303 B7R1.25 NCC1(O)CCC1 W3913 [0,1,0,1,0,0|1,0,0]=3 304 B7R1.18 CC(=O)C1CCC1 9513AD [0,1,0,1,0,0|0,1,1]=4 305 B7R1.18 CC(O)C1CCC1 W8263 [0,1,0,1,0,0|0,1,0]=3 306 B7R1.18 CN(C)C1CNC1 3640AF [0,1,0,1,0,0|2,0,0]=4 307 B7R1.18 CN(C)C1CNC1 X9606 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.18 N=C(N)C1CCC1 1131AC [0,1,0,1,0,0|1,0,1]=4 309 B7R1.14 CC1(C)CCCN1 W7438 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.14 CC1(O)CCNC1 Y1200 [0,1,0,1,0,0|1,0,0]=3 311 B7R1.14 CC1(O)CCNC1 Y7315 [0,1,0,1,0,0|1,0,0]=3 312 B7R1.14 FC1(F)CCNC1 W3565 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.29 BrCC1(CBr)CC1 2934AB [0,1,0,1,0,0|1,0,0]=3 314 B7R1.29 N#CC1(CO)CC1 6923AC [0,1,0,1,0,0|0,1,1]=4