0 B6R0.1 C=CC(C)CCC 6092AL [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 CC(\C=N\O)=N/O P687 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCCC(=O)SC 8847AJ [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCCC(C)CC 7810AF [0,0,0,0,0,0|1,0,3]=4 4 B6R0.1 CCCC(C)CO 1207AA [0,0,0,0,0,0|0,0,4]=4 5 B6R0.1 CCNC(=O)CBr 5060AE [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CCNC(=O)CN 8793AD [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CCNC(C)CC 7145AD [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 CCNC(C)CO 8218AD [0,0,0,0,0,0|1,0,3]=4 9 B6R0.1 CCOC(=N)CC 8352AC [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CCOC(C)CC 8956AL [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 CCOC(C)CN 0082AD [0,0,0,0,0,0|2,0,2]=4 12 B6R0.1 CCSC(=O)CC 8960AL [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 C=C(C)CON 4430AJ [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 C=CCC(=C)C 5694AL [1,0,0,0,0,0|0,0,3]=4 15 B5R0.1 CC(C)=CCCl 7671AJ [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CCC=C(C)C 7499AF [1,0,0,0,0,0|0,0,1]=2 17 B5R0.1 CCOC(C)C 7879AL [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 CCSC(=N)N 2034AH [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CCSC(C)C 7880AL [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 CNCC(C)=O 4565AF [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 C\C(Cl)=C\CN 9653AD [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 C\C(Cl)=C\CO X6578 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 C\C=C\C(C)C 7501AF [1,0,0,0,0,0|0,0,3]=4 24 B5R0.1 C\C=C\C(N)=O 7909AD [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 NC(=O)CCO 8063AJ [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 O=C(O)CCF 6350AB [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 O=C(O)\C=C/Br V3608 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 O=C(O)\C=C/I 9333AB [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 O=C(O)\C=C\I V7047 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 C=CCOCC 5601AE [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 C=CC\C=C/C 0307AQ [1,0,0,0,0,0|1,0,2]=4 32 B5R0.2 CCC\C=N\O 7272AF [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 CC\C=C\C#N 5776AL [1,0,0,0,0,0|1,0,1]=3 34 B5R0.2 NC\C=C/CCl 3552AH [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 NC\C=C/CN Z2171 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.3 CCC(=O)CN X8894 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.3 CCC(=O)CO X5132 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.3 CCC(=S)OC R571 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.3 CCC(C)CCl U282 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.3 CCC(C)NN 9798AD [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 CC[C@H](C)CCl 4194AL [1,0,0,0,0,0|1,0,2]=4 42 B5R0.3 C\C(C=O)=C/N 3293AB [1,0,0,0,0,0|1,0,0]=2 43 B5R0.3 C\C=C(/C)CC 0241AQ [1,0,0,0,0,0|1,0,0]=2 44 B5R0.3 C\C=C(/C)CC 9220AL [1,0,0,0,0,0|1,0,0]=2 45 B5R0.3 C\C=C(\C)CC 7440AL [1,0,0,0,0,0|1,0,0]=2 46 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [0,1,0,0,0,0|2,0,1]=4 47 B7R0.2 CN(C)C=C(Br)C=O 0627AQ [0,1,0,0,0,0|2,0,0]=3 48 B7R0.2 CN(C)C=C(I)C=O 1090AQ [0,1,0,0,0,0|2,0,0]=3 49 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,1,0,0,0,0|2,0,1]=4 50 B7R0.3 C=CC(=O)NCCC 3769AL [0,1,0,0,0,0|2,0,1]=4 51 B7R0.3 C=CC(=O)NCCN 1689AB [0,1,0,0,0,0|3,0,0]=4 52 B7R0.3 CCC\C=C(/C)CC 6104AL [0,1,0,0,0,0|1,0,1]=3 53 B7R0.5 CCC[C@H](O)C(=O)O Z6053 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.5 CCNC(C)C(N)=O 7697AD [0,1,0,0,0,0|1,0,1]=3 55 B7R0.5 CCSC(C)C(=O)O 6924AD [0,1,0,0,0,0|1,0,1]=3 56 B7R0.7 C=C=CC(=O)OCC 4330AD [0,1,0,0,0,0|3,0,0]=4 57 B7R0.7 C=CCC(=O)OCC X3652 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.7 C=COC(=O)\C=C\C E081 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [0,1,0,0,0,0|3,0,0]=4 60 B7R0.7 CCOC(=O)\C=C/I 7873AL [0,1,0,0,0,0|3,0,0]=4 61 B7R0.10 C=CC(C)C(C)CC 5904AL [0,1,0,0,0,0|1,0,2]=4 62 B7R0.10 CCC(=O)C(=O)OC W5987 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,1,0,0,0,0|2,0,1]=4 64 B7R0.10 COC(=O)\C(C)=C\Br 1158AL [0,1,0,0,0,0|2,0,0]=3 65 B7R0.10 C\C=C(\C)C(=O)OC 7087AL [0,1,0,0,0,0|2,0,0]=3 66 B7R0.11 C=C[Si](C)(C)OCC 3277AL [0,1,0,0,0,0|2,1,0]=4 67 B7R1.1 C=CC1CCCC1 9406AL [0,0,0,1,0,0|1,0,2]=4 68 B7R1.1 O=CC1=CC=C[Se]1 5634AL [0,0,0,1,0,0|1,0,2]=4 69 B7R1.1 O=CC1=CCSC1 2331AA [0,0,0,1,0,0|1,0,0]=2 70 B7R1.1 O=CC1=CNN=N1 Z5678 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.1 O=CN1CCCC1 0706AQ [0,0,0,1,0,0|1,0,1]=3 72 B7R1.2 CC1=CC(N)=CS1 Z4474 [0,0,0,1,0,0|1,1,1]=4 73 B7R1.2 CC1=COC(C)=N1 5323AL [0,0,0,1,0,0|1,0,2]=4 74 B7R1.2 CC1=CSC(N)=C1 5740AC [0,0,0,1,0,0|1,1,1]=4 75 B7R1.2 CC1=NN(C)N=C1 8968AB [0,0,0,1,0,0|3,0,0]=4 76 B7R1.3 BrC1=CCCCC1 Z0360 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.3 CC1=CCC=CC1 7751AF [0,0,0,1,0,0|1,0,2]=4 78 B7R1.3 CC1C=CCCC1 6090AL [0,0,0,1,0,0|1,0,2]=4 79 B7R1.3 O=C1C=CCCN1 9030AB [0,0,0,1,0,0|3,0,0]=4 80 B7R1.4 CC1=C(N)ON=C1 4334AB [0,0,0,1,0,0|3,0,0]=4 81 B7R1.4 CC1=CCOC1=O 7576AD [0,0,0,1,0,0|1,0,0]=2 82 B7R1.4 CC1=CNC=C1C 2295AL [0,0,0,1,0,0|2,0,1]=4 83 B7R1.4 CC1=CNN=C1N 9912AB [0,0,0,1,0,0|3,0,0]=4 84 B7R1.4 CC1C=NNC1=O 1336AQ [0,0,0,1,0,0|2,0,1]=4 85 B7R1.4 NN1CCCC1=O 0452AB [0,0,0,1,0,0|2,0,1]=4 86 B7R1.4 O=C1CCC=C1Br 8037AC [0,0,0,1,0,0|1,0,0]=2 87 B7R1.4 O=C1CCCC1Cl W7923 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.22 CN(C=O)C1CC1 V3060 [0,0,0,1,0,0|1,0,1]=3 89 B4R0.1 C=C(F)CCl 6785AE [2,0,0,0,0,0|2,0,0]=4 90 B4R0.1 C=C=C(C)C 6086AL [2,0,0,0,0,0|1,0,1]=4 91 B4R0.1 C=CC(C)C 7308AF [2,0,0,0,0,0|1,0,1]=4 92 B4R0.1 CC(=O)NBr 6847AF [2,0,0,0,0,0|2,0,0]=4 93 B4R0.1 CC(=O)NBr 6848AF [2,0,0,0,0,0|2,0,0]=4 94 B4R0.1 CCC(=O)Br C859 [2,0,0,0,0,0|1,0,0]=3 95 B4R0.1 CSC(C)=O 9061AJ [2,0,0,0,0,0|1,0,0]=3 96 B4R0.1 C\C=C(/C)Cl 5560AL [2,0,0,0,0,0|1,0,0]=3 97 B4R0.1 C\C=C(\C)Cl 4247AL [2,0,0,0,0,0|1,0,0]=3 98 B4R0.1 NCC(=O)O 7986AL [2,0,0,0,0,0|2,0,0]=4 99 B4R0.1 NCC(=O)[O-] P522 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.2 C=C=CCO 0432AQ [2,0,0,0,0,0|1,0,1]=4 101 B4R0.2 CCC=NO 0148AQ [2,0,0,0,0,0|1,0,1]=4 102 B4R0.2 CCCOC 4896AL [2,0,0,0,0,0|1,0,1]=4 103 B4R0.2 CCCSC U677 [2,0,0,0,0,0|1,0,1]=4 104 B4R0.2 CCSCC E138 [2,0,0,0,0,0|1,0,1]=4 105 B4R0.2 C\C=C/CC 7428AL [2,0,0,0,0,0|0,0,0]=2 106 B4R0.2 Cl\C=C/CCl 7411AL [2,0,0,0,0,0|2,0,0]=4 107 B4R0.2 N\C=C/C=O 4699AJ [2,0,0,0,0,0|1,0,0]=3 108 B6R0.2 CC(=O)SC(C)=O 7216AF [1,1,0,0,0,0|1,0,1]=4 109 B6R0.2 C[C@H](Br)CC(=O)O V0016 [1,1,0,0,0,0|1,0,1]=4 110 B6R0.3 C=C(CBr)C(=O)O 1795AL [1,1,0,0,0,0|2,0,0]=4 111 B6R0.3 CC(=O)C(N)CO 6844AC [1,1,0,0,0,0|1,0,1]=4 112 B6R0.3 CCC(=O)C(C)Br 5539AL [1,1,0,0,0,0|1,0,1]=4 113 B6R0.3 CCC(=O)C(C)S 5675AL [1,1,0,0,0,0|0,1,1]=4 114 B6R0.3 CCC(Br)C(N)=O 5224AE [1,1,0,0,0,0|1,0,1]=4 115 B6R0.3 CCC(C)C(C)=O U423 [1,1,0,0,0,0|0,0,1]=3 116 B6R0.3 CCC(O)C(=O)[O-] 8154AL [1,1,0,0,0,0|1,0,1]=4 117 B6R0.3 CCC(S)C(C)=O 9471AJ [1,1,0,0,0,0|0,0,1]=3 118 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [1,1,0,0,0,0|1,0,1]=4 119 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [1,1,0,0,0,0|1,0,1]=4 120 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [1,1,0,0,0,0|1,0,1]=4 121 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [1,1,0,0,0,0|1,0,1]=4 122 B6R0.3 CSC(C)C(C)=O 6125AL [1,1,0,0,0,0|1,0,1]=4 123 B6R0.3 C\C=C(/C)C(C)=O 6105AL [1,1,0,0,0,0|0,0,1]=3 124 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [1,1,0,0,0,0|1,0,1]=4 125 B6R0.4 C#CCNC(C)=O 3665AL [1,1,0,0,0,0|1,0,1]=4 126 B6R0.4 C=C(C)CCCC 5699AL [1,1,0,0,0,0|0,0,1]=3 127 B6R0.4 C=CCCC(=C)C 5696AL [1,1,0,0,0,0|0,0,2]=4 128 B6R0.4 CC(=O)CCCBr W5938 [1,1,0,0,0,0|0,0,1]=3 129 B6R0.4 CC(=O)NCCCl W8163 [1,1,0,0,0,0|1,0,0]=3 130 B6R0.4 CC(=O)OCCCl 7237AF [1,1,0,0,0,0|1,0,0]=3 131 B6R0.4 CC(=O)SCC#N 6370AE [1,1,0,0,0,0|1,0,1]=4 132 B6R0.4 CC(=O)SCCN 5884AD [1,1,0,0,0,0|1,0,0]=3 133 B6R0.4 CCCC=C(C)C 5704AL [1,1,0,0,0,0|0,0,1]=3 134 B6R0.4 CCCCC(=O)Br 7391AF [1,1,0,0,0,0|1,0,1]=4 135 B6R0.4 CC\C=C\C(=O)O 6805AA [1,1,0,0,0,0|1,0,0]=3 136 B6R0.4 CSCCC(=O)Cl 6126AL [1,1,0,0,0,0|1,0,1]=4 137 B6R0.4 FC(F)=CCCBr 4541AD [1,1,0,0,0,0|2,0,0]=4 138 B6R0.6 CC=C=CCCO 1076AQ [1,1,0,0,0,0|1,0,1]=4 139 B6R0.6 CCC\C=C/CO 7423AL [1,1,0,0,0,0|0,0,2]=4 140 B6R0.6 CC\C=C\CCC 9219AL [1,1,0,0,0,0|1,0,1]=4 141 B6R0.6 C\C=C/CCCC 7422AL [1,1,0,0,0,0|1,0,1]=4 142 B6R0.6 C\C=C/CCCCl 7455AL [1,1,0,0,0,0|1,0,1]=4 143 B6R0.6 C\C=C\CCCC 7780AF [1,1,0,0,0,0|1,0,1]=4 144 B6R0.6 C\C=C\SCCC U946 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.2 COC(=O)C(C)C(=O)O 2314AJ [0,2,0,0,0,0|1,0,1]=4 146 B8R0.5 CCOC(=O)NC(N)=O 7871AL [0,2,0,0,0,0|2,0,0]=4 147 B8R0.16 CO\C(C=O)=C\N(C)C X9940 [0,2,0,0,0,0|1,0,0]=3 148 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,2,0,0,0,0|1,0,1]=4 149 B8R0.1 CCCC(C)COC=O 5740AL [0,2,0,0,0,0|0,0,2]=4 150 B8R0.8 CCCCC(=O)C(C)=O 5249AL [0,2,0,0,0,0|1,0,1]=4 151 B8R0.8 CCCNC(=O)C(=O)O 0106AF [0,2,0,0,0,0|1,0,1]=4 152 B8R0.8 CCCOC(C)C(=O)O 5764AE [0,2,0,0,0,0|0,0,2]=4 153 B8R0.15 CCCC(OC)C(=O)O 5382AE [0,2,0,0,0,0|0,0,2]=4 154 B8R0.15 CCC[C@@H](NC)C(=O)O 0554AP [0,2,0,0,0,0|0,0,2]=4 155 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,1,0,0|0,0,1]=3 156 B6R1.2 CC1=CCCO1 0728AQ [1,0,0,1,0,0|0,0,1]=3 157 B6R1.2 CC1=CON=C1 9884AB [1,0,0,1,0,0|2,0,0]=4 158 B6R1.2 ClC1=CCCC1 9304AJ [1,0,0,1,0,0|1,0,0]=3 159 B6R1.2 O=C1C=CCN1 V5771 [1,0,0,1,0,0|1,0,1]=4 160 B6R1.2 O=C1C=CCS1 1311AQ [1,0,0,1,0,0|1,0,1]=4 161 B6R1.11 CC(=O)C1CO1 3696AE [1,0,0,1,0,0|1,0,1]=4 162 B8R1.1 CC1=CC=C(C=O)N1 3298AA [0,1,0,1,0,0|1,0,1]=4 163 B8R1.1 CC1=CC=C(CCl)S1 4231AB [0,1,0,1,0,0|2,0,0]=4 164 B8R1.1 CC1=CC=C(CN)S1 V3761 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.1 CC1=CC=C(CO)S1 V7056 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.1 CC1=CNC(CN)=N1 3888AJ [0,1,0,1,0,0|2,0,0]=4 167 B8R1.1 CC1=CNC(CO)=C1 4693AD [0,1,0,1,0,0|1,0,1]=4 168 B8R1.1 CC1=CSC(CN)=C1 Y6895 [0,1,0,1,0,0|0,1,1]=4 169 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.1 CCC1=NC(Br)=CS1 2688AJ [0,1,0,1,0,0|1,1,0]=4 171 B8R1.1 CCC1=NC=C(Br)S1 1720AA [0,1,0,1,0,0|2,0,0]=4 172 B8R1.1 CCN1C=C(Cl)C=N1 9799AC [0,1,0,1,0,0|2,0,0]=4 173 B8R1.1 CCN1C=C(I)C=N1 V3768 [0,1,0,1,0,0|2,0,0]=4 174 B8R1.1 CCN1C=CC(C)=N1 9609AD [0,1,0,1,0,0|2,0,0]=4 175 B8R1.1 CN1C=C(CCl)C=N1 8978AE [0,1,0,1,0,0|2,0,0]=4 176 B8R1.1 CNC1=NC(C)=CS1 V4374 [0,1,0,1,0,0|1,1,0]=4 177 B8R1.1 CSC1=CC(C)=CS1 Z0195 [0,1,0,1,0,0|0,1,1]=4 178 B8R1.1 CSC1=NC(C)=CS1 2874AJ [0,1,0,1,0,0|1,1,0]=4 179 B8R1.4 CC1=CC(=O)NC=C1 X3603 [0,1,0,1,0,0|1,0,1]=4 180 B8R1.4 CC1=CC(=O)NN=C1 X7047 [0,1,0,1,0,0|2,0,0]=4 181 B8R1.4 CC1=CN=NC(=O)C1 5887AH [0,1,0,1,0,0|2,0,0]=4 182 B8R1.4 CC1CC(=O)CCN1 1072AC [0,1,0,1,0,0|1,0,1]=4 183 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,1,0,1,0,0|0,0,2]=4 184 B8R1.4 CN1CCCC(=O)C1 9933AH [0,1,0,1,0,0|1,0,1]=4 185 B8R1.4 CN1CCCC(=O)C1 9934AH [0,1,0,1,0,0|1,0,1]=4 186 B8R1.18 CC1CC(=O)NC1=O 2461AL [0,1,0,1,0,0|1,0,1]=4 187 B8R1.2 BrC=C1CCCCC1 0651AQ [0,1,0,1,0,0|1,0,1]=4 188 B8R1.2 COC1=CCOCC1 Y5304 [0,1,0,1,0,0|2,0,0]=4 189 B8R1.2 N#CC1=CCCCC1 0160AQ [0,1,0,1,0,0|1,0,1]=4 190 B8R1.2 NCC1=CCCCC1 3737AB [0,1,0,1,0,0|1,0,1]=4 191 B8R1.2 O=CC1CCCCN1 X3865 [0,1,0,1,0,0|0,0,2]=4 192 B8R1.2 O=CC1CCCNC1 4398AB [0,1,0,1,0,0|0,0,2]=4 193 B8R1.2 O=CC1CCNCC1 0201AP [0,1,0,1,0,0|0,0,2]=4 194 B8R1.2 O=CC1CCNCC1 Y9263 [0,1,0,1,0,0|0,0,2]=4 195 B8R1.2 O=CC1CCSCC1 Y9262 [0,1,0,1,0,0|0,0,2]=4 196 B8R1.3 CC1=CN=C(C)N=C1 1431AB [0,1,0,1,0,0|1,0,1]=4 197 B8R1.5 CC1COCCC1=O Z3955 [0,1,0,1,0,0|0,0,2]=4 198 B8R1.5 CC1NCCNC1=O 1693AB [0,1,0,1,0,0|1,0,1]=4 199 B8R1.5 CC1OCCNC1=O 5590AJ [0,1,0,1,0,0|1,0,1]=4 200 B8R1.5 CN1CCNCC1=O 7723AJ [0,1,0,1,0,0|1,0,1]=4 201 B8R1.5 O=C1CCCC=C1Br V6293 [0,1,0,1,0,0|1,0,0]=3 202 B8R1.5 O=C1CCCC=C1I 2099AL [0,1,0,1,0,0|1,0,0]=3 203 B8R1.5 O=C1NCCNC1=O 3615AD [0,1,0,1,0,0|2,0,0]=4 204 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,1,0,1,0,0|1,0,0]=3 205 B8R1.50 CC1=C(C)C(=O)NC1 2679AE [0,1,0,1,0,0|1,0,0]=3 206 B8R1.50 CC1=CSC(C)=C1Br 2426AC [0,1,0,1,0,0|0,1,1]=4 207 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,1,0,1,0,0|1,0,1]=4 208 B8R1.50 CN1C(=O)CNC1=O 0568AC [0,1,0,1,0,0|2,0,0]=4 209 B8R1.50 CN1C(=O)COC1=O 4361AD [0,1,0,1,0,0|2,0,0]=4 210 B8R1.50 CN1C(=O)CSC1=S 0599AQ [0,1,0,1,0,0|2,0,0]=4 211 B8R1.50 CN1CCC(Br)C1=O 0624AE [0,1,0,1,0,0|1,0,1]=4 212 B8R1.50 O=C1CCC(=O)C1Br 4248AD [0,1,0,1,0,0|1,0,1]=4 213 B8R1.50 O=C1OCC(Cl)=C1Cl 0792AQ [0,1,0,1,0,0|2,0,0]=4 214 B8R1.7 CC(=O)N1CCCC1 4743AL [0,1,0,1,0,0|1,0,1]=4 215 B8R1.7 O=C(O)C1=COCC1 W9830 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,1,0,1,0,0|1,0,1]=4 217 B8R1.23 CC1CC(C(=O)O)C1 3997AC [0,1,0,1,0,0|0,0,2]=4 218 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [0,1,0,1,0,0|0,0,2]=4 219 B8R1.8 N#CCC1=CCCC1 4828AL [0,1,0,1,0,0|1,0,1]=4 220 B8R1.11 CC1=C(C=O)C=CO1 Y9472 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [0,1,0,1,0,0|1,0,1]=4 222 B8R1.11 CC1=C(C=O)SN=C1 4154AC [0,1,0,1,0,0|2,0,0]=4 223 B8R1.11 CC1=C(CN)SC=N1 3343AC [0,1,0,1,0,0|1,1,0]=4 224 B8R1.11 CC1=C(CO)C=CO1 8108AB [0,1,0,1,0,0|2,0,0]=4 225 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,1,0,1,0,0|1,0,1]=4 226 B8R1.11 CC1=C(CO)SC=C1 W7564 [0,1,0,1,0,0|1,1,0]=4 227 B8R1.11 CCC1=NNC=C1I 2420AL [0,1,0,1,0,0|2,0,0]=4 228 B8R1.11 CCN1N=CC=C1C 3292AE [0,1,0,1,0,0|2,0,0]=4 229 B8R1.11 O=C1CCCN1CO 7398AF [0,1,0,1,0,0|1,0,1]=4