0 B7R0.6 C=C(C)CCC(=C)C 7929AF [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 C=C(C)CCC(C)C 5371AL [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 C=C(Cl)CSC(C)=O 8348AD [0,0,0,0,0,0|1,1,2]=4 3 B7R0.6 CC(=O)CCN(C)C 8474AD [0,0,0,0,0,0|2,0,0]=2 4 B7R0.6 CC(=O)NN=C(C)C 3890AH [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CC(=O)NNC(C)=O D302 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,0,0,0,0,0|2,1,1]=4 7 B7R0.6 CC(C)CCC(=O)O 9893AB [0,0,0,0,0,0|2,0,0]=2 8 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,0,0,0,0,0|2,0,1]=3 9 B7R0.6 CC(C)CCC(C)C 5381AL [0,0,0,0,0,0|2,0,1]=3 10 B7R0.6 CC(C)NCC(N)=O V7257 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.6 CC(C)\C=C\[N+](=O)[O-] 2447AL [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 CN(C)CCN(C)C 2336AA [0,0,0,0,0,0|4,0,0]=4 13 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,0,0,0,0,0|3,0,0]=3 14 B6R0.4 C#CCNC(C)=O 3665AL [1,0,0,0,0,0|1,0,2]=4 15 B6R0.4 C=C(C)CCCC 5699AL [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 C=C(C)CCCO 2774AL [1,0,0,0,0,0|3,0,0]=4 17 B6R0.4 C=CCCC(C)C 6791AL [1,0,0,0,0,0|1,0,1]=3 18 B6R0.4 CC(=O)NCCCl W8163 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CC(=O)OCCCl 7237AF [1,0,0,0,0,0|1,0,0]=2 20 B6R0.4 CC(=O)SCC#N 6370AE [1,0,0,0,0,0|1,1,1]=4 21 B6R0.4 CC(=O)SCCN 5884AD [1,0,0,0,0,0|1,1,0]=3 22 B6R0.4 CC(C)CCC=O Y1162 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.4 CC(C)CCCCl 6814AE [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CC(C)CCCN 7575AF [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 CC(C)OCCN 2664AC [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CCCC=C(C)C 5704AL [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 CCCCC(=O)Br 7391AF [1,0,0,0,0,0|2,0,0]=3 28 B6R0.4 CCCCC(C)C 5734AL [1,0,0,0,0,0|1,0,1]=3 29 B6R0.4 CCCCC(C)Cl 5578AL [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 CCCCC(C)O 9467AB [1,0,0,0,0,0|1,0,2]=4 31 B6R0.4 CCCNC(C)C 7560AH [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CCCNC(N)=S 3447AF [1,0,0,0,0,0|2,1,0]=4 33 B6R0.4 CCCO[N+](=O)[O-] X5340 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 CCCSC(C)C 8111AL [1,0,0,0,0,0|1,1,1]=4 35 B6R0.4 CCNCC(=O)O X5133 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.4 CCNCC(C)O 2626AE [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 CNCCC(=O)O 5026AF [1,0,0,0,0,0|3,0,0]=4 38 B6R0.4 CNCCN(C)C J70105 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.4 COCCC(C)=O B939 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.4 C\C=C\CC(C)C 6798AL [1,0,0,0,0,0|1,0,0]=2 41 B6R0.4 NC(=O)CCCCl Y1653 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 NC(=O)NCCCl 5576AL [1,0,0,0,0,0|3,0,0]=4 43 B6R0.4 NC(=O)OCCCl 7044AF [1,0,0,0,0,0|2,0,0]=3 44 B6R0.4 O=C(O)CCCS 7264AF [1,0,0,0,0,0|3,0,0]=4 45 B8R0.9 CC(C)CNC(=O)CBr 4255AF [0,1,0,0,0,0|1,0,0]=2 46 B8R0.9 CC(C)CNC(=O)CN 5727AD [0,1,0,0,0,0|1,0,0]=2 47 B8R0.9 CC(C)OCC(=O)NN 2431AF [0,1,0,0,0,0|3,0,0]=4 48 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,1,0,0,0,0|2,0,1]=4 49 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,1,0,0,0,0|1,0,0]=2 50 B8R0.9 CCC(=O)COC(C)=O X5648 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.9 CCC(C)CCC(C)O 6794AL [0,1,0,0,0,0|1,0,2]=4 52 B8R0.9 COC(=O)CNC(C)=O 3516AL [0,1,0,0,0,0|2,0,1]=4 53 B8R0.9 C\C(CCC(C)C)=N/O 6797AL [0,1,0,0,0,0|1,0,1]=3 54 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,1,0,0,0,0|1,0,0]=2 55 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,1,0,0,0,0|1,0,0]=2 56 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,1,0,0,0,0|1,0,1]=3 57 B8R0.23 CC(C)CC(=O)C(=O)O 2659AC [0,1,0,0,0,0|2,0,0]=3 58 B8R0.23 CC(C)CC(O)C(C)C 5374AL [0,1,0,0,0,0|2,0,1]=4 59 B8R0.23 CC(C)OC(=O)C(C)C 7796AF [0,1,0,0,0,0|1,0,2]=4 60 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 9975AA [0,1,0,0,0,0|3,0,0]=4 61 B8R0.29 CC(C)(N)CCC(=O)O 0201AE [0,1,0,0,0,0|2,0,0]=3 62 B8R0.29 CC(C)(N)CNC(N)=O 1059AL [0,1,0,0,0,0|2,0,0]=3 63 B8R0.29 CC(C)CCC(C)(C)C 8138AF [0,1,0,0,0,0|2,0,1]=4 64 B8R0.29 CC(C)CCC(C)(C)Cl 5559AL [0,1,0,0,0,0|2,0,1]=4 65 B8R0.29 CC(C)CNS(=O)(=O)Cl 6827AJ [0,1,0,0,0,0|3,0,0]=4 66 B8R0.29 CC(C)CNS(C)(=O)=O 7559AH [0,1,0,0,0,0|2,0,0]=3 67 B8R0.29 CN(C)CCC(C)(C)N 5824AC [0,1,0,0,0,0|3,0,0]=4 68 B8R1.3 CC1CCC(C)CC1 7953AF [0,0,0,1,0,0|2,0,1]=4 69 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,0,0,1,0,0|2,0,0]=3 70 B8R1.3 CN1CCC(=O)CC1 A394 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.3 C[C@H]1CC[C@@H](C)CC1 7416AL [0,0,0,1,0,0|2,0,1]=4 72 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3945AJ [0,0,0,1,0,0|2,0,1]=4 73 B8R1.3 C[C@H]1CC[C@H](C)CC1 3891AL [0,0,0,1,0,0|2,0,1]=4 74 B8R1.3 NC1CCC(=O)NC1 7736AA [0,0,0,1,0,0|2,0,0]=3 75 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,0,0,1,0,0|2,0,0]=3 76 B8R1.3 O=C1CCC(=O)NC1 7306AB [0,0,0,1,0,0|2,0,1]=4 77 B8R1.3 O=C1CCS(=O)CC1 5611AD [0,0,0,1,0,0|3,0,0]=4 78 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.23 NC1CC(C(=O)O)C1 2935AC [0,0,0,1,0,0|3,0,0]=4 80 B8R1.23 NC1CC(C(=O)O)C1 3481AA [0,0,0,1,0,0|3,0,0]=4 81 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 W8206 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 2936AC [0,0,0,1,0,0|3,0,0]=4 83 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 W8205 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.23 O=C(O)C1CC(Cl)C1 4357AB [0,0,0,1,0,0|3,0,0]=4 85 B8R1.23 O=C(O)C1CC(F)C1 2538AD [0,0,0,1,0,0|3,0,0]=4 86 B8R1.35 CC(C)CNC1CC1 7259AJ [0,0,0,1,0,0|2,0,1]=4 87 B8R1.35 N=C(N)SCC1CC1 3978AJ [0,0,0,1,0,0|2,1,0]=4 88 B8R1.35 O=C(O)C#CC1CC1 0479AQ [0,0,0,1,0,0|2,0,1]=4 89 B8R1.35 O=C(O)CNC1CC1 0701AA [0,0,0,1,0,0|3,0,0]=4 90 B8R1.51 CC1(C)CC(=O)CS1 3715AB [0,0,0,1,0,0|2,0,0]=3 91 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,0,0,1,0,0|1,0,0]=2 92 B8R1.51 CC1(C)CCC(N)C1 2064AJ [0,0,0,1,0,0|2,0,1]=4 93 B8R1.51 CC1(C)CNC(=O)O1 2855AL [0,0,0,1,0,0|2,0,0]=3 94 B8R1.51 CC1(C)COC(=O)C1 2579AL [0,0,0,1,0,0|0,0,0]=1 95 B8R1.51 CC1(C)OCC(=O)O1 5725AB [0,0,0,1,0,0|3,0,0]=4 96 B8R1.51 CC1COC(C)(C)O1 5088AL [0,0,0,1,0,0|2,0,1]=4 97 B8R1.51 O=S1(=O)CC(Br)CO1 9883AA [0,0,0,1,0,0|3,0,0]=4 98 B8R1.77 CC1(C)CC1C(N)=O 5881AD [0,0,0,1,0,0|2,0,0]=3 99 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,0,0,0,1,0|2,0,1]=4 100 B6R0.2 CC(=O)SC(C)=O 7216AF [0,0,0,0,1,0|1,1,1]=4 101 B6R0.2 CC(C)=NN(C)C 6998AL [0,0,0,0,1,0|3,0,0]=4 102 B6R0.2 CC(C)CC(C)C 7809AF [0,0,0,0,1,0|1,0,1]=3 103 B6R0.2 CC(C)CC(C)N I823 [0,0,0,0,1,0|1,0,1]=3 104 B6R0.2 CC(C)O[N+](=O)[O-] F423 [0,0,0,0,1,0|2,0,0]=3 105 B6R0.2 CC(N)CN(C)C 8452AC [0,0,0,0,1,0|2,0,1]=4 106 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,0,0,0,1,0|3,0,0]=4 107 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,0,0,0,1,0|2,0,0]=3 108 B6R0.2 CN(C)NC(N)=O 4373AL [0,0,0,0,1,0|3,0,0]=4 109 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,0,0,0,1,0|2,0,0]=3 110 B6R0.2 C[C@H](O)CN(C)C 7646AB [0,0,0,0,1,0|1,0,2]=4 111 B8R0.28 CC(=O)CCOC(C)C 6552AL [0,0,0,0,0,1|1,0,0]=2 112 B8R0.28 CC(=O)O[Pd]OC(C)=O 8735AL [0,0,0,0,0,1|2,0,1]=4 113 B8R0.28 CC(=O)O[Pd]OC(C)=O X7235 [0,0,0,0,0,1|2,0,1]=4 114 B8R0.28 CC(=O)O[Rh]OC(C)=O 7677AH [0,0,0,0,0,1|2,0,1]=4 115 B8R0.28 CC(=O)O[Rh]OC(C)=O E174 [0,0,0,0,0,1|2,0,1]=4 116 B8R0.28 CC(C)CSCC(C)C 8004AF [0,0,0,0,0,1|1,1,1]=4 117 B8R0.28 CC(C)NCCC(N)=O 6779AD [0,0,0,0,0,1|2,0,0]=3 118 B8R0.28 CC(C)\C=C\CC(C)C 5417AL [0,0,0,0,0,1|2,0,1]=4 119 B5R0.1 C=C(C)CCBr Z4377 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.1 C=COC(C)C 3476AL [2,0,0,0,0,0|0,0,1]=3 121 B5R0.1 CC#CC(C)C 6601AL [2,0,0,0,0,0|0,0,2]=4 122 B5R0.1 CC(C)CCCl 7326AF [2,0,0,0,0,0|1,0,1]=4 123 B5R0.1 CC(C)CON 7310AJ [2,0,0,0,0,0|1,0,0]=3 124 B5R0.1 CC(C)C[Mg]Br 8722AJ [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 CC(O)CON 3604AB [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 CCC=C(C)C 7499AF [2,0,0,0,0,0|1,0,1]=4 127 B5R0.1 CCOC(C)C 7879AL [2,0,0,0,0,0|0,0,1]=3 128 B5R0.1 CCSC(C)C 7880AL [2,0,0,0,0,0|0,1,1]=4 129 B5R0.1 CNCC(C)=O 4565AF [2,0,0,0,0,0|1,0,0]=3 130 B5R0.1 CNCC(C)C 8603AL [2,0,0,0,0,0|1,0,0]=3 131 B5R0.1 CNCC(C)O 5343AD [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 CNOC(C)=O 8699AL [2,0,0,0,0,0|1,0,0]=3 133 B5R0.1 COCC(C)N 0442AC [2,0,0,0,0,0|1,0,0]=3 134 B5R0.1 COC[C@H](C)O W4988 [2,0,0,0,0,0|1,0,0]=3 135 B5R0.1 CS(=O)CCN 4290AE [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 C\C=C\C(C)C 7501AF [2,0,0,0,0,0|0,0,1]=3 137 B5R0.1 O=C(O)CCF 6350AB [2,0,0,0,0,0|2,0,0]=4 138 B5R0.2 CCCCOC 7303AL [2,0,0,0,0,0|2,0,0]=4 139 B5R0.2 CCCNCC 8554AL [2,0,0,0,0,0|1,0,1]=4 140 B5R0.2 CCCOCC 7892AL [2,0,0,0,0,0|0,0,1]=3 141 B5R0.2 CCCOCCl 4494AB [2,0,0,0,0,0|1,0,1]=4 142 B5R0.2 CCCSCC R576 [2,0,0,0,0,0|0,1,1]=4 143 B5R0.2 CCOCCCl 7903AJ [2,0,0,0,0,0|1,0,1]=4 144 B5R0.2 CCOCCN 3903AD [2,0,0,0,0,0|1,0,1]=4 145 B7R0.2 C=C(C)CC(C)CC 5312AL [1,1,0,0,0,0|2,0,0]=4 146 B7R0.2 C=CC(C)OC(C)=O 6010AL [1,1,0,0,0,0|0,0,2]=4 147 B7R0.2 CCC(C)CC(C)C 5322AL [1,1,0,0,0,0|1,0,1]=4 148 B7R0.2 CCC(N)CC(=O)O W4035 [1,1,0,0,0,0|2,0,0]=4 149 B7R0.2 CCN(C)CC(C)=O 9608AC [1,1,0,0,0,0|2,0,0]=4 150 B7R0.3 C=C(CC)CCCC 5608AL [1,1,0,0,0,0|2,0,0]=4 151 B7R0.3 C=C(CCl)OCOC 1799AL [1,1,0,0,0,0|2,0,0]=4 152 B7R0.3 CCC(=O)NCCN 3366AF [1,1,0,0,0,0|2,0,0]=4 153 B7R0.3 CCCCC(C)CC 6251AE [1,1,0,0,0,0|1,0,1]=4 154 B7R0.3 CCCNC(=O)CN V6930 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.3 CCC\C=C(/C)CC 6104AL [1,1,0,0,0,0|2,0,0]=4 156 B7R0.3 CCNCC(=O)OC 2143AA [1,1,0,0,0,0|2,0,0]=4 157 B7R0.3 CCNCC(=O)OC 2988AC [1,1,0,0,0,0|2,0,0]=4 158 B7R0.3 CCOCC(N)CC 8270AE [1,1,0,0,0,0|1,0,1]=4 159 B7R0.3 CNCCC(=O)NC 5845AE [1,1,0,0,0,0|2,0,0]=4 160 B7R0.3 COC(=O)CCCS X9990 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.3 NCC(=O)NCCO 0947AF [1,1,0,0,0,0|2,0,0]=4 162 B7R0.4 C=C(C)CCCCC 5698AL [1,1,0,0,0,0|2,0,0]=4 163 B7R0.4 C=CCCOC(C)=O 3121AL [1,1,0,0,0,0|0,0,1]=3 164 B7R0.4 CC(=O)NCCCN V6432 [1,1,0,0,0,0|1,0,0]=3 165 B7R0.4 CC(=O)NCCCO 8280AC [1,1,0,0,0,0|1,0,0]=3 166 B7R0.4 CC(C)CCCCO 6988AE [1,1,0,0,0,0|1,0,1]=4 167 B7R0.4 CC(C)CCN=C=O 5158AD [1,1,0,0,0,0|1,0,1]=4 168 B7R0.4 CC(C)COCCN 0042AD [1,1,0,0,0,0|0,0,1]=3 169 B7R0.4 CC(C)CSCCO 5051AL [1,1,0,0,0,0|0,1,1]=4 170 B7R0.4 CC(C)OCCCCl U192 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.4 CC(C)OCCCO 9315AD [1,1,0,0,0,0|1,0,1]=4 172 B7R0.4 CCCCCC(C)C 5733AL [1,1,0,0,0,0|1,0,1]=4 173 B7R0.4 CCCCNC(C)C 2334AE [1,1,0,0,0,0|1,0,1]=4 174 B7R0.4 CCCSCC(=O)O 6980AD [1,1,0,0,0,0|1,1,0]=4 175 B7R0.4 CCOCCC(C)=O 6489AL [1,1,0,0,0,0|1,0,0]=3 176 B7R0.4 CNCCCC(=O)O 2115AA [1,1,0,0,0,0|2,0,0]=4 177 B7R0.4 COCCNC(C)C 8018AC [1,1,0,0,0,0|2,0,0]=4 178 B7R0.5 CCCC(=O)C(=O)O 5775AL [1,1,0,0,0,0|2,0,0]=4 179 B7R0.5 CCCC(O)C(C)C 5711AL [1,1,0,0,0,0|1,0,1]=4 180 B7R0.5 COCC(N)C(C)C 9904AH [1,1,0,0,0,0|2,0,0]=4 181 B7R0.8 CCCCC(C)(C)C 5136AL [1,1,0,0,0,0|1,0,1]=4 182 B7R0.8 CCNCC(C)(C)O 9524AH [1,1,0,0,0,0|1,0,1]=4 183 B7R0.8 CNCCC(C)(C)C 9066AC [1,1,0,0,0,0|2,0,0]=4 184 B7R0.9 CC(=O)CC(F)(F)F 8006AD [0,1,0,0,1,0|2,0,0]=4 185 B7R0.9 CC(=O)OC(C)(C)C Y7726 [0,1,0,0,1,0|0,0,0]=2 186 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,1,0,0,1,0|1,0,0]=3 187 B7R0.9 CN(C)CC(C)(C)N 9307AJ [0,1,0,0,1,0|2,0,0]=4 188 B7R0.16 CC(=O)C(=O)C(C)Br Y2126 [0,1,0,0,1,0|1,0,1]=4 189 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,1,0,0,1,0|1,0,1]=4 190 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,1,0,0,1,0|2,0,0]=4 191 B7R0.16 CC(C)C(C)C(C)C 7982AF [0,1,0,0,1,0|1,0,1]=4 192 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,1,0,0,1,0|1,0,0]=3 193 B9R0.1 CC(O)CCNC(=O)CN 2340AD [0,1,0,0,0,1|2,0,0]=4 194 B9R0.1 CCC(C)OCCC(C)=O 6681AL [0,1,0,0,0,1|1,0,0]=3 195 B9R0.1 CN(C)CCNC(=O)CN 9486AC [0,1,0,0,0,1|2,0,0]=4 196 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [0,1,0,0,0,1|1,0,0]=3 197 B9R0.7 CC(C)CC[C@H](N)C(=O)O 7177AH [0,1,0,0,0,1|2,0,0]=4 198 B9R0.7 CC(C)CNC(=O)C(=O)O 9215AE [0,1,0,0,0,1|2,0,0]=4 199 B9R0.7 CC(C)N(C)CCC(=O)O 8219AD [0,1,0,0,0,1|2,0,0]=4 200 B9R0.53 CC(=O)CC(C)CC(C)C 0099AB [0,1,0,0,0,1|1,0,0]=3 201 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5270AC [0,1,0,0,0,1|2,0,0]=4 202 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5354AA [0,1,0,0,0,1|2,0,0]=4 203 B9R0.56 CC(=O)OCC[N+](C)(C)C X7331 [0,1,0,0,0,1|1,0,0]=3 204 B9R0.56 CC(=O)SCC[N+](C)(C)C 7815AF [0,1,0,0,0,1|1,1,0]=4 205 B9R0.56 CC(C)(C)CNCC(=O)O Y6728 [0,1,0,0,0,1|2,0,0]=4 206 B9R0.23 CCC(C)C(=N)CC(C)=O Y2757 [0,2,0,0,0,0|1,0,1]=4 207 B9R0.23 CCC(C)C(N)CC(=O)O 2728AE [0,2,0,0,0,0|2,0,0]=4 208 B9R0.43 CCC(COC(C)=O)OC 5685AL [0,2,0,0,0,0|0,0,0]=2 209 B9R0.48 CC(C)CNC(=O)CCN 2257AD [0,2,0,0,0,0|1,0,0]=3 210 B9R0.48 CCCC(C)CCC(C)=O 6799AL [0,2,0,0,0,0|1,0,0]=3 211 B9R0.48 CNCC(=O)NCC(C)C 2001AD [0,2,0,0,0,0|1,0,0]=3 212 B9R0.10 CC(=O)CC(=O)C(C)(C)C 1341AC [0,2,0,0,0,0|1,0,1]=4 213 B9R0.10 CC(=O)OC(C)C(F)(F)F 7372AF [0,2,0,0,0,0|2,0,0]=4 214 B9R0.11 CC(C)CC(C)(O)C(=O)O 4614AB [0,2,0,0,0,0|2,0,0]=4 215 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O 0594AP [0,2,0,0,0,0|2,0,0]=4 216 B9R0.11 CC(C)C[C@](C)(N)C(=O)O 7059AH [0,2,0,0,0,0|2,0,0]=4 217 B9R0.39 CC(C)CC(CN)C(=O)O 1792AL [0,2,0,0,0,0|2,0,0]=4 218 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 0447AB [0,2,0,0,0,0|2,0,0]=4 219 B9R0.39 CC(C)C[C@H](CN)C(=O)O 0749AB [0,2,0,0,0,0|2,0,0]=4 220 B9R0.57 CC(C)(C)CC(N)C(=O)O X5326 [0,2,0,0,0,0|2,0,0]=4 221 B9R0.57 CC(C)(C)CC(N)C(=O)O X8798 [0,2,0,0,0,0|2,0,0]=4 222 B7R1.2 CC1=NOC(=O)C1 0252AQ [1,0,0,1,0,0|1,0,1]=4 223 B7R1.2 CN1CCC(=O)C1 B871 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.2 C[C@@H]1COC(=O)O1 P610 [1,0,0,1,0,0|1,0,0]=3 225 B7R1.2 NC1CNC(=O)C1 4028AC [1,0,0,1,0,0|2,0,0]=4 226 B7R1.2 O=C1CCC(I)C1 3588AC [1,0,0,1,0,0|2,0,0]=4 227 B7R1.2 O=C1OCC(Cl)O1 E933 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.3 BrC1CCCOC1 X9769 [1,0,0,1,0,0|1,0,1]=4 229 B7R1.3 ClC1=CCCCC1 5746AC [1,0,0,1,0,0|2,0,0]=4 230 B7R1.3 NC1CC=CCC1 3966AJ [1,0,0,1,0,0|2,0,0]=4 231 B7R1.3 NC1CCCOC1 X9447 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.3 O=C1C=CCCO1 X2978 [1,0,0,1,0,0|0,0,2]=4 233 B7R1.3 O=C1NCCCO1 V6397 [1,0,0,1,0,0|1,0,0]=3 234 B7R1.7 CCNCC1CC1 8749AD [1,0,0,1,0,0|1,0,1]=4 235 B7R1.7 CCOCC1CO1 7875AL [1,0,0,1,0,0|1,0,1]=4 236 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 8055AC [1,0,0,1,0,0|2,0,0]=4 237 B7R1.14 CC1(C)CCNC1 2404AC [1,0,0,1,0,0|1,0,1]=4 238 B7R1.14 CC1(C)COC=N1 6315AL [1,0,0,1,0,0|1,0,0]=3 239 B7R1.18 NC(=O)C1CCC1 F371 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.20 CC(=O)CC1CC1 5730AB [1,0,0,1,0,0|1,0,0]=3 241 B7R1.32 CC1(C)CC1(C)C 4327AL [0,0,0,1,1,0|1,0,1]=4 242 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Z2268 [0,0,0,1,0,1|2,0,0]=4 243 B9R1.49 CN1CCCC(=O)CC1 W4017 [0,0,0,1,0,1|2,0,0]=4 244 B9R1.1 CC1CCC(=CBr)CC1 V7740 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.1 CC1CCC(=NO)CC1 4311AE [0,1,0,1,0,0|1,0,1]=4 246 B9R1.1 O=C1CCC(CO)CN1 7233AA [0,1,0,1,0,0|1,0,0]=3 247 B9R1.1 O=CC1CCC(=O)CC1 6740AC [0,1,0,1,0,0|1,0,1]=4 248 B9R1.10 CC1(C)CC=C(Br)CC1 Y3535 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.10 CC1(O)CCC(=O)CC1 9011AA [0,1,0,1,0,0|1,0,0]=3 250 B9R1.69 CC1CC(=O)CCC1O 4918AC [0,1,0,1,0,0|2,0,0]=4 251 B9R1.69 CC1CCC(=O)CC1C 2294AL [0,1,0,1,0,0|1,0,0]=3 252 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,1,0,1,0,0|1,0,1]=4 253 B9R1.69 CC1CNC(=O)N(C)C1 3005AD [0,1,0,1,0,0|1,0,0]=3 254 B9R1.69 CN1CC(N)CCC1=O 2690AD [0,1,0,1,0,0|2,0,0]=4 255 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 1466AA [0,1,0,1,0,0|2,0,0]=4 256 B9R1.80 C=CC(=O)OCC1CO1 7692AF [0,1,0,1,0,0|1,0,1]=4 257 B9R1.80 O=C(CCl)NCC1CC1 4816AE [0,1,0,1,0,0|1,0,0]=3 258 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 9615AF [0,1,0,1,0,0|2,0,0]=4 259 B9R1.84 O=C(O)CCC1CCC1 3714AE [0,1,0,1,0,0|2,0,0]=4 260 B9R1.95 COC1CC(C(=O)O)C1 6586AB [0,1,0,1,0,0|2,0,0]=4 261 B9R1.95 O=C(O)C1CC(CBr)C1 X8764 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.138 CC1(C)COC(=O)[C@H]1O 7759AB [0,1,0,1,0,0|0,0,0]=2 263 B9R1.138 CC1(C)COC(=O)[C@H]1O J80014 [0,1,0,1,0,0|0,0,0]=2 264 B9R1.38 CC1(C)CC(=O)NC1=O 2278AL [0,1,0,1,0,0|1,0,1]=4 265 B9R1.164 CC1(O)CC(C(=O)O)C1 W3550 [0,1,0,1,0,0|2,0,0]=4 266 B9R2.139 O=C1CCC2(CC2)N1 9782AD [0,0,0,2,0,0|2,0,0]=4 267 B9R2.143 O=C(O)C1CC12CC2 8844AA [0,0,0,2,0,0|2,0,0]=4 268 B5R0.5 C=C(C)C(C)C 5230AL [0,0,0,0,2,0|1,0,0]=3 269 B5R0.5 CC(=O)C(C)F 0085AF [0,0,0,0,2,0|1,0,0]=3 270 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,0,0,0,2,0|2,0,0]=4 271 B9R0.55 CC(=O)CCOCC(C)C 6549AL [0,0,0,0,0,2|0,0,0]=2