0 B6R0.9 CC=C(CC)CC 6043AL [0,0,0,0,0,0|1,0,1]=2 1 B6R0.9 CCN(CC)CC C978 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.9 CCN(CC)CC X6424 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.9 COC(CO)OC 3441AL [0,0,0,0,0,0|2,0,2]=4 4 B6R0.9 OCC(CO)CO 6412AB [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 C=CC(C)C#N 5710AL [1,0,0,0,0,0|2,0,1]=4 6 B5R0.3 C=CC(C)CC 6094AL [1,0,0,0,0,0|1,0,0]=2 7 B5R0.3 C=CC(O)CC 7733AJ [1,0,0,0,0,0|2,0,0]=3 8 B5R0.3 C=CC(O)CO V0531 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.3 C=C[C@@H](N)CO 3384AB [1,0,0,0,0,0|3,0,0]=4 10 B5R0.3 C=C[C@H](N)CO W4532 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.3 CCC(=O)NC 7273AF [1,0,0,0,0,0|1,0,1]=3 12 B5R0.3 CCC(=O)NN 6023AE [1,0,0,0,0,0|2,0,1]=4 13 B5R0.3 CCC(C)C=O 7969AJ [1,0,0,0,0,0|0,0,0]=1 14 B5R0.3 CCC(C)CC 6117AL [1,0,0,0,0,0|0,0,1]=2 15 B5R0.3 CCC(C)CI 4886AL [1,0,0,0,0,0|1,0,1]=3 16 B5R0.3 CCC(C)NC 9511AE [1,0,0,0,0,0|1,0,1]=3 17 B5R0.3 CCC(C)NN 0007AD [1,0,0,0,0,0|2,0,0]=3 18 B5R0.3 CCC(O)CN 6349AA [1,0,0,0,0,0|1,0,1]=3 19 B5R0.3 CCN(C)CC 7490AH [1,0,0,0,0,0|1,0,1]=3 20 B5R0.3 CC[C@H](O)CO 1422AC [1,0,0,0,0,0|1,0,1]=3 21 B5R0.3 CON(C)C=O 3547AB [1,0,0,0,0,0|2,0,0]=3 22 B5R0.3 COS(=O)OC 6871AF [1,0,0,0,0,0|3,0,0]=4 23 B5R0.3 NC(CO)CO V0534 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.3 NCC(O)CCl Z2000 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.3 O=CC(O)CO 6635AH [1,0,0,0,0,0|2,0,0]=3 26 B5R0.3 OCC(S)CS F878 [1,0,0,0,0,0|2,1,0]=4 27 B7R0.12 CCC(CC)N=C=S 6784AD [0,1,0,0,0,0|0,1,1]=3 28 B7R0.12 CCN(CCO)N=O 8548AL [0,1,0,0,0,0|2,0,0]=3 29 B7R0.15 CCC(CC)C(C)=O 6697AE [0,1,0,0,0,0|0,0,0]=1 30 B7R0.15 CCC(CO)N(C)C 5536AD [0,1,0,0,0,0|1,0,2]=4 31 B7R0.15 CCC(NC)C(N)=O 1348AD [0,1,0,0,0,0|1,0,0]=2 32 B7R0.15 CCN(CC)C(=N)N 9544AE [0,1,0,0,0,0|2,0,0]=3 33 B7R0.15 CCN(CC)P(Cl)Cl 7662AL [0,1,0,0,0,0|3,0,0]=4 34 B7R0.15 CN[C@@H](CO)C(=O)O 0565AP [0,1,0,0,0,0|2,0,0]=3 35 B7R0.15 CN[C@@H](CO)C(=O)O Z5780 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.18 CC[Ge](Cl)(CC)CC 9285AL [0,1,0,0,0,0|1,1,1]=4 37 B7R0.18 CC[Si](O)(CC)CC 9154AJ [0,1,0,0,0,0|1,1,1]=4 38 B7R1.1 CNC1CCCC1 W8261 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.1 CNC1CCCC1 Z4480 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.1 COC1CCNC1 Z2737 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.1 CO[C@@H]1CCNC1 Z4777 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.1 CO[C@H]1CCNC1 Z5035 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.1 ICC1CCOC1 3884AL [0,0,0,1,0,0|1,0,2]=4 44 B7R1.1 NCC1CCCC1 W7173 [0,0,0,1,0,0|1,0,1]=3 45 B7R1.1 NCC1CCCN1 W7106 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.1 NCC1CCCN1 W7375 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.1 NC[C@@H]1CCCN1 0819AA [0,0,0,1,0,0|2,0,1]=4 48 B7R1.1 NC[C@H]1CCCN1 Z3950 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.1 NNC1CCCC1 W7612 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.1 O=CC1=CCCC1 Z4945 [0,0,0,1,0,0|0,0,2]=3 51 B7R1.1 OC[C@@H]1CCNC1 4311AA [0,0,0,1,0,0|1,0,2]=4 52 B7R1.1 OC[C@@H]1CCNC1 Z7301 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.1 OC[C@@H]1CCOC1 4598AA [0,0,0,1,0,0|1,0,2]=4 54 B7R1.1 OC[C@H]1CCNC1 1914AA [0,0,0,1,0,0|1,0,2]=4 55 B7R1.29 BrCC1(CBr)CC1 2934AB [0,0,0,1,0,0|2,0,1]=4 56 B7R1.29 N#CC1(CO)CC1 6923AC [0,0,0,1,0,0|2,0,1]=4 57 B4R0.1 C=CC(C)O 6444AE [2,0,0,0,0,0|2,0,0]=4 58 B4R0.1 CC(C)=CBr X6156 [2,0,0,0,0,0|1,0,1]=4 59 B4R0.1 CC(C)CN 8086AL [2,0,0,0,0,0|1,0,1]=4 60 B4R0.1 CC(O)CCl 7057AF [2,0,0,0,0,0|1,0,1]=4 61 B4R0.2 C=CCCC 7306AF [2,0,0,0,0,0|1,0,0]=3 62 B4R0.2 C=CCCN 2362AH [2,0,0,0,0,0|2,0,0]=4 63 B4R0.2 C=CSCC 7899AL [2,0,0,0,0,0|2,0,0]=4 64 B4R0.2 CCCC#N A365 [2,0,0,0,0,0|1,0,1]=4 65 B4R0.2 CCCCC 8942AJ [2,0,0,0,0,0|0,0,0]=2 66 B4R0.2 CCCCN 7306AL [2,0,0,0,0,0|1,0,0]=3 67 B4R0.2 CCCCS 4787AL [2,0,0,0,0,0|1,0,0]=3 68 B4R0.2 CCNCC 7648AL [2,0,0,0,0,0|1,0,0]=3 69 B4R0.2 CCNCC 7649AL [2,0,0,0,0,0|1,0,0]=3 70 B4R0.2 CCNCC 7650AL [2,0,0,0,0,0|1,0,0]=3 71 B4R0.2 CCOC=N M412 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.2 CNCCN X9276 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.2 CSCCO U461 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.2 C\C=C\CC 7309AF [2,0,0,0,0,0|0,0,2]=4 75 B4R0.2 NCCCN 7173AL [2,0,0,0,0,0|2,0,0]=4 76 B4R0.2 NCCCO 5983AL [2,0,0,0,0,0|2,0,0]=4 77 B6R0.1 C=CC(O)CCC I123 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.1 CC(CO)CCN 2620AL [1,1,0,0,0,0|0,0,2]=4 79 B6R0.1 CCC(=O)CC#N 0486AE [1,1,0,0,0,0|0,0,2]=4 80 B6R0.1 CCC(C)N=C=O 4892AD [1,1,0,0,0,0|0,0,1]=3 81 B6R0.1 CCC(O)COC 4893AL [1,1,0,0,0,0|0,0,1]=3 82 B6R0.1 CCCC(C)CCl 4812AL [1,1,0,0,0,0|1,0,1]=4 83 B6R0.1 CCNC(=O)CC 8553AL [1,1,0,0,0,0|0,0,1]=3 84 B6R0.1 CCOC(=O)CI 7240AF [1,1,0,0,0,0|1,0,1]=4 85 B6R0.1 CCOC(=O)OC 7884AL [1,1,0,0,0,0|1,0,1]=4 86 B6R0.1 CNC(=O)CCN 4757AE [1,1,0,0,0,0|1,0,1]=4 87 B6R0.1 C[C@@H](CO)CCN 4158AL [1,1,0,0,0,0|0,0,2]=4 88 B6R0.1 C\C=C\C(=O)CC 2730AL [1,1,0,0,0,0|0,0,2]=4 89 B6R0.1 ClCC(Cl)CCBr 4770AL [1,1,0,0,0,0|2,0,0]=4 90 B6R0.1 OC(CCl)CCCl 4625AL [1,1,0,0,0,0|1,0,1]=4 91 B6R0.3 CC(=O)C(C)C#N 6171AB [1,1,0,0,0,0|1,0,1]=4 92 B6R0.3 CC(C)C(=O)CBr W4222 [1,1,0,0,0,0|1,0,1]=4 93 B6R0.3 CC(CN)C(=O)O B714 [1,1,0,0,0,0|1,0,0]=3 94 B6R0.3 CC(O)C(O)CO 4398AL [1,1,0,0,0,0|1,0,1]=4 95 B6R0.3 CCC(=O)C(C)=O 7386AF [1,1,0,0,0,0|0,0,2]=4 96 B6R0.3 CCC(Br)C(=O)Cl 5533AL [1,1,0,0,0,0|1,0,0]=3 97 B6R0.3 CCC(Cl)C(=O)O 7236AF [1,1,0,0,0,0|1,0,0]=3 98 B6R0.3 CCC(O)C(=O)O Z2570 [1,1,0,0,0,0|1,0,0]=3 99 B6R0.3 CCC(O)C(C)C 8275AB [1,1,0,0,0,0|0,0,1]=3 100 B6R0.3 CC[C@H](N)C(N)=O V3235 [1,1,0,0,0,0|1,0,0]=3 101 B6R0.3 CNC(=O)C(C)Cl 3091AE [1,1,0,0,0,0|1,0,1]=4 102 B6R0.3 CNC(C)C(=O)O 0549AP [1,1,0,0,0,0|1,0,0]=3 103 B6R0.3 COC(C)C(C)O V6491 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.3 CON(C)C(=O)Cl 8593AL [1,1,0,0,0,0|2,0,0]=4 105 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [1,1,0,0,0,0|1,0,0]=3 106 B6R0.3 C[C@H](CN)C(=O)O 5992AA [1,1,0,0,0,0|1,0,0]=3 107 B6R0.3 C[C@H](CO)C(=O)O 9933AA [1,1,0,0,0,0|1,0,0]=3 108 B6R0.3 C[C@H](O)[C@@H](N)CO W6337 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.3 NC(=O)C(Cl)CCl 5220AL [1,1,0,0,0,0|2,0,0]=4 110 B6R0.3 NC(CCl)C(=O)O 1396AE [1,1,0,0,0,0|2,0,0]=4 111 B6R0.3 NCC(F)C(=O)O 5631AL [1,1,0,0,0,0|2,0,0]=4 112 B6R0.3 NCC(N)C(=O)O 3293AL [1,1,0,0,0,0|2,0,0]=4 113 B6R0.3 NCC(N)C(=O)O V0517 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.3 NCC(O)C(=O)O X2972 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.3 N[C@@H](CCl)C(=O)O W6670 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.3 N[C@H](CCl)C(=O)O 3161AL [1,1,0,0,0,0|2,0,0]=4 117 B6R0.8 C#CC(C)(N)CC X8885 [1,1,0,0,0,0|1,0,1]=4 118 B6R0.8 CCC(C)(N)C#N Z4767 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.8 O=CC(Br)(Br)CBr 2470AB [1,1,0,0,0,0|2,0,0]=4 120 B8R0.11 CCCCC(CC)CN 5628AL [0,2,0,0,0,0|1,0,1]=4 121 B8R0.11 CCC\C=C(\C=O)CC 5610AL [0,2,0,0,0,0|0,0,1]=3 122 B8R0.15 CCC(NC=O)C(=O)O 1472AA [0,2,0,0,0,0|1,0,1]=4 123 B8R0.15 CCC[C@H](NC)C(=O)O 6616AD [0,2,0,0,0,0|1,0,0]=3 124 B8R0.16 CCN(CC)CC(=O)O 8208AD [0,2,0,0,0,0|1,0,0]=3 125 B8R0.20 CCC(=O)N(CC)CC P947 [0,2,0,0,0,0|1,0,0]=3 126 B8R0.20 CCN(CC)C(=O)CN 8531AC [0,2,0,0,0,0|1,0,0]=3 127 B8R0.20 CCN(CC)C(=S)S[Ag] 7310AF [0,2,0,0,0,0|1,1,0]=4 128 B8R0.20 COC(=O)C(CBr)CBr U873 [0,2,0,0,0,0|2,0,0]=4 129 B8R0.22 CCCC(C#N)CCC Y5013 [0,2,0,0,0,0|1,0,1]=4 130 B8R0.22 CCOC(CC)OCC 8872AL [0,2,0,0,0,0|1,0,1]=4 131 B8R0.18 CCC(C(C)=O)C(=O)[O-] M209 [0,2,0,0,0,0|0,0,1]=3 132 B8R0.18 CN[C@H](C(=O)O)C(C)C 7209AH [0,2,0,0,0,0|1,0,0]=3 133 B8R0.18 CN[C@H](C(N)=O)C(C)C Z9432 [0,2,0,0,0,0|1,0,0]=3 134 B8R0.26 CCN(CC)S(=O)(=O)Cl 6973AD [0,2,0,0,0,0|2,0,0]=4 135 B8R0.26 CCN(N=O)C(C)(C)C 8676AL [0,2,0,0,0,0|2,0,0]=4 136 B8R0.36 CCC(Br)(CC)C(=O)O 5369AE [0,2,0,0,0,0|0,0,0]=2 137 B8R0.36 CCC(N)(CC)C(=O)O V4713 [0,2,0,0,0,0|0,0,0]=2 138 B8R0.10 CCC(CC)(CBr)CBr 0472AC [0,2,0,0,0,0|1,0,1]=4 139 B6R1.2 BrC1CCNC1 X9668 [1,0,0,1,0,0|2,0,0]=4 140 B6R1.2 BrC1CCOC1 W4135 [1,0,0,1,0,0|2,0,0]=4 141 B6R1.2 CC1CCCN1 2138AL [1,0,0,1,0,0|1,0,1]=4 142 B6R1.2 C[C@@H]1CCNC1 1585AB [1,0,0,1,0,0|1,0,1]=4 143 B6R1.2 C[C@H]1CCNC1 W4034 [1,0,0,1,0,0|1,0,1]=4 144 B6R1.2 ClC1CCCC1 H294 [1,0,0,1,0,0|1,0,0]=3 145 B6R1.2 ClC1CCOC1 X2032 [1,0,0,1,0,0|2,0,0]=4 146 B6R1.2 N[C@@H]1CCOC1 X8829 [1,0,0,1,0,0|2,0,0]=4 147 B6R1.2 O=S1CCCC1 X4814 [1,0,0,1,0,0|1,0,0]=3 148 B6R1.6 CNC1CCC1 4414AJ [1,0,0,1,0,0|1,0,1]=4 149 B6R1.6 ICC1CCO1 1038AD [1,0,0,1,0,0|1,0,1]=4 150 B6R1.6 NCC1CCC1 W6312 [1,0,0,1,0,0|1,0,1]=4 151 B6R1.6 NCC1CCC1 W6876 [1,0,0,1,0,0|1,0,1]=4 152 B6R1.6 NNC1CCC1 2537AA [1,0,0,1,0,0|2,0,0]=4 153 B6R1.6 NNC1CCC1 W3433 [1,0,0,1,0,0|2,0,0]=4 154 B6R1.6 OCC1CCO1 Z4942 [1,0,0,1,0,0|1,0,1]=4 155 B6R1.7 CC1(CO)CC1 8973AD [1,0,0,1,0,0|0,0,2]=4 156 B6R1.7 NC1(CO)CC1 X9119 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.1 CN1CCC(CO)C1 6863AB [0,1,0,1,0,0|0,0,2]=4 158 B8R1.1 CNC1CCN(C)C1 5528AA [0,1,0,1,0,0|2,0,0]=4 159 B8R1.1 COC1=CC(=O)CC1 6398AB [0,1,0,1,0,0|1,0,1]=4 160 B8R1.1 NCC1CCC(=O)N1 2507AA [0,1,0,1,0,0|1,0,0]=3 161 B8R1.1 O=C1CCC(CBr)O1 3312AH [0,1,0,1,0,0|1,0,0]=3 162 B8R1.1 O=C1CCC(CO)O1 X3393 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.1 O=C1CC[C@@H](CBr)N1 W8109 [0,1,0,1,0,0|1,0,0]=3 164 B8R1.1 O=C1CC[C@@H](CO)O1 N841 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.1 O=C1CC[C@H](CBr)N1 W9851 [0,1,0,1,0,0|1,0,0]=3 166 B8R1.1 O=C1CC[C@H](CO)O1 B249 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.1 O=C1NCC(CCl)O1 2907AL [0,1,0,1,0,0|2,0,0]=4 168 B8R1.1 O=C1NC[C@@H](CCl)O1 8648AA [0,1,0,1,0,0|2,0,0]=4 169 B8R1.2 BrCC1CCNCC1 Z2771 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.2 C#CC1CCCCN1 Y6045 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.2 C#CC1CCCNC1 Y6534 [0,1,0,1,0,0|1,0,1]=4 172 B8R1.2 CCC1CCCCC1 8567AA [0,1,0,1,0,0|1,0,1]=4 173 B8R1.2 CCC1CCNCC1 0192AE [0,1,0,1,0,0|1,0,1]=4 174 B8R1.2 CCC1CNCCO1 V6407 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.2 CC[C@H]1COCCN1 1076AB [0,1,0,1,0,0|0,0,2]=4 176 B8R1.2 CNC1CCOCC1 5124AB [0,1,0,1,0,0|2,0,0]=4 177 B8R1.2 CNC1CCOCC1 W4553 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.2 COC1CCC=CO1 5901AL [0,1,0,1,0,0|2,0,0]=4 179 B8R1.2 COC1CCNCC1 V5785 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.2 FCC1CCCNC1 2978AD [0,1,0,1,0,0|1,0,1]=4 181 B8R1.2 ICC1CCCCC1 4784AJ [0,1,0,1,0,0|1,0,1]=4 182 B8R1.2 ICC1CCOCC1 Y6802 [0,1,0,1,0,0|1,0,1]=4 183 B8R1.2 N#CC1CCCNC1 W8644 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.2 NCC1CCCCO1 V7179 [0,1,0,1,0,0|1,0,1]=4 185 B8R1.2 NCC1CCCNC1 U802 [0,1,0,1,0,0|1,0,1]=4 186 B8R1.2 NNC1CCCCC1 3658AF [0,1,0,1,0,0|2,0,0]=4 187 B8R1.2 NNC1CCOCC1 0074AB [0,1,0,1,0,0|2,0,0]=4 188 B8R1.2 NNC1CCOCC1 X9318 [0,1,0,1,0,0|2,0,0]=4 189 B8R1.2 NNC1CCOCC1 Z3438 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.2 O=CC1=CCCOC1 Z4103 [0,1,0,1,0,0|0,0,2]=4 191 B8R1.2 O=CC1CCCOC1 2092AC [0,1,0,1,0,0|0,0,0]=2 192 B8R1.2 O=CC1CCOCC1 X4660 [0,1,0,1,0,0|0,0,0]=2 193 B8R1.2 OCC1CCNCC1 5626AH [0,1,0,1,0,0|0,0,2]=4 194 B8R1.2 OCC1CCSCC1 Y6767 [0,1,0,1,0,0|0,0,2]=4 195 B8R1.2 ONC1CCCCC1 1210AB [0,1,0,1,0,0|1,0,1]=4 196 B8R1.2 [C-]#[N+]C1CCCCC1 M219 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.2 [C@@H]1(CC)COCCN1 9533AF [0,1,0,1,0,0|0,0,2]=4 198 B8R1.8 CNCC1CCCO1 7539AF [0,1,0,1,0,0|2,0,0]=4 199 B8R1.8 COCC1CCCN1 V2776 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.8 COCC1CCCN1 Y4051 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.8 COC[C@H]1CCCN1 8959AH [0,1,0,1,0,0|2,0,0]=4 202 B8R1.8 N#CCC1CCCC1 5870AE [0,1,0,1,0,0|1,0,1]=4 203 B8R1.8 N#CSC1CCCC1 4959AE [0,1,0,1,0,0|1,0,1]=4 204 B8R1.8 NCCC1CCCC1 W7101 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.8 NCCC1CCCC1 Z5033 [0,1,0,1,0,0|1,0,1]=4 206 B8R1.8 O=C=NC1CCCC1 4108AE [0,1,0,1,0,0|0,0,1]=3 207 B8R1.11 CCC1CCCC1=O 6742AB [0,1,0,1,0,0|0,0,0]=2 208 B8R1.11 N#CC1CCCC1=O U935 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.60 CCC1(C=O)COC1 V9816 [0,1,0,1,0,0|0,0,0]=2 210 B8R1.7 N=C(N)C1CCCC1 0061AF [0,1,0,1,0,0|1,0,0]=3 211 B8R1.7 NC(=O)C1CCCO1 5362AC [0,1,0,1,0,0|1,0,0]=3 212 B8R1.7 NC(=O)C1CCNC1 9876AB [0,1,0,1,0,0|1,0,0]=3 213 B8R1.7 O=C(Cl)N1CCCC1 0711AQ [0,1,0,1,0,0|1,0,0]=3 214 B8R1.7 O=C(O)C1CCNC1 W9737 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.7 O=C(O)C1CSSC1 X3729 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.7 O=C(O)C1NCCS1 W7647 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.7 O=C(O)[C@@H]1CCNC1 1252AC [0,1,0,1,0,0|1,0,0]=3 218 B8R1.7 O=C(O)[C@H]1CCNC1 1251AC [0,1,0,1,0,0|1,0,0]=3 219 B8R1.7 O=C(O)[C@H]1CCNC1 X9011 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.7 O=C(O)[C@H]1CSCN1 6272AB [0,1,0,1,0,0|2,0,0]=4 221 B8R1.63 CNC1(C(=O)O)CC1 Z6018 [0,1,0,1,0,0|1,0,0]=3 222 B8R2.34 C12CCC(CC1)C2 8648AL [0,0,0,2,0,0|1,0,1]=4 223 B8R2.34 C1CC2CC1CN2 Z4541 [0,0,0,2,0,0|1,0,1]=4