0 B6R0.1 C=CC[C@H](N)CO F16846 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 CCC[C@@H](Br)CC D78429 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CC[C@H](S)CCO D84734 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C=CC[C@H](C)O 71459 [1,0,0,0,0,0|1,1,0]=3 4 B5R0.1 C=CC[C@H](C)O A12634 [1,0,0,0,0,0|1,1,0]=3 5 B5R0.1 CCC[C@H](C)N P14575 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CCC[C@H](C)N Y10887 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CN(C)CC=O D88083 [1,0,0,0,0,0|1,0,0]=2 8 B5R0.1 CN(C)CCO D93012 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 CNC[C@H](C)O AC1157 [1,0,0,0,0,0|2,1,0]=4 10 B5R0.1 CNC[C@H](C)O N12528 [1,0,0,0,0,0|2,1,0]=4 11 B5R0.1 COC[C@H](C)Br 78860 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 COC[C@H](C)N 25526 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 COC[C@H](C)N D95458 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 COC[C@H](C)N W17998 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 C[C@H](N)CC#N 12486 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 C[C@H](O)CC#N 87623 [1,0,0,0,0,0|1,1,1]=4 17 B5R0.1 C[C@H](O)CCN 83616 [1,0,0,0,0,0|1,1,1]=4 18 B5R0.1 C[C@H](O)CON O10313 [1,0,0,0,0,0|2,1,0]=4 19 B5R0.1 C[S+](C)CCCl 77752 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 C#CCCC=C T71785 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 C#CCCC=O 89357 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.2 C=CCCNC W16107 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.2 CCCCON 31644 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.2 COCCCO D77912 [1,0,0,0,0,0|0,1,2]=4 25 B5R0.2 O=CCCCO 55817 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.3 C=C[C@H](C)ON F31247 [1,0,0,0,0,0|1,1,1]=4 27 B5R0.3 CC[C@H](C)CN 88665 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.3 CN[C@@H](C)CO AC8719 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.3 CN[C@@H](C)CO C77593 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.3 CN[C@@H](C)CO D80042 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.3 CN[C@@H](C)CO D80344 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.3 CN[C@@H](C)CO D82586 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.3 CO[C@@H](C)CN 91001 [1,0,0,0,0,0|1,1,0]=3 34 B5R0.3 CO[C@@H](C)CO 91002 [1,0,0,0,0,0|0,1,1]=3 35 B5R0.3 C[C@@H](CN)CCl 72948 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.3 C[C@@H](CO)CBr AB3182 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,1,0,0,0,0|1,0,0]=2 39 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.2 COC(C)CC(C)O 78061 [0,1,0,0,0,0|0,1,2]=4 43 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,1,0,0,0,0|0,1,2]=4 44 B7R0.2 N[C@H](CO)CC(=O)O D95019 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.2 N[C@H](CO)CC(=O)O F14029 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.5 C[C@H](NC=O)C(=O)O FD21046 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.10 CCC(C)[C@H](N)C#N AR2444 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.11 CCC(C)(C)CCCl F50555 [0,1,0,0,0,0|2,0,1]=4 50 B7R1.1 CC[C@H]1CCNC1 P14869 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.1 CN[C@H]1CCOC1 P18534 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.1 CN[C@H]1CCOC1 P18535 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.1 CO[C@H]1CCNC1 26935 [0,0,0,1,0,0|1,1,1]=4 54 B7R1.1 CO[C@H]1CCNC1 P10862 [0,0,0,1,0,0|1,1,1]=4 55 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,0,0,1,0,0|0,1,2]=4 56 B7R1.2 CN1CCC(=O)C1 64220 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,0,0,1,0,0|1,0,2]=4 59 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,0,0,1,0,0|2,0,0]=3 71 B7R1.2 O=C1CNC(=O)C1 76756 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,1,0,0|2,1,0]=4 76 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,1,0,0|2,1,0]=4 77 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,1,0,0|2,1,0]=4 78 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,1,0,0|2,1,0]=4 79 B7R1.3 C[C@H]1COCCN1 72593 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.4 CC1CNCC1C P18713 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.6 C=CCC1CNC1 P14594 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.6 CNC[C@H]1CCO1 D96714 [0,0,0,1,0,0|2,1,0]=4 83 B7R1.6 COC[C@H]1CCN1 38829 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.6 COC[C@H]1CCN1 P15803 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.6 N#CCC1CCC1 55430 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.6 NCCC1CCC1 P10851 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.6 NNCC1CCC1 P12716 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.6 O=CCC1CCC1 55432 [0,0,0,1,0,0|1,0,0]=2 89 B7R1.6 O=CCC1COC1 CS2316 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.6 OCCC1CCC1 32129 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.6 OCC[C@H]1CCO1 P17680 [0,0,0,1,0,0|0,1,2]=4 92 B7R1.8 CC1NCC1C#N D96740 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.10 C=C1CC(CO)C1 D79070 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.10 CNC1CC(C)C1 72947 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.10 CNC1CC(O)C1 37731 [0,0,0,1,0,0|1,0,2]=4 96 B7R1.10 CNC1CN(C)C1 38831 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [0,0,0,1,0,0|1,0,2]=4 98 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [0,0,0,1,0,0|1,0,2]=4 99 B7R1.10 COC1CC(=O)C1 P12741 [0,0,0,1,0,0|0,1,0]=2 100 B7R1.10 COC1CC(N)C1 37221 [0,0,0,1,0,0|1,1,1]=4 101 B7R1.10 COC1CC(O)C1 R10063 [0,0,0,1,0,0|0,1,2]=4 102 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [0,0,0,1,0,0|1,1,1]=4 103 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [0,0,0,1,0,0|1,1,1]=4 104 B7R1.10 O=C1CC(CBr)C1 39031 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.10 O=C1CC(CCl)C1 P11243 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.10 O=C1C[C@H](CO)N1 P17668 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.21 CC1(CCO)CC1 P14058 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.25 CCC1(C)CNC1 D79218 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.25 CNC1(C)COC1 39042 [0,0,0,1,0,0|3,0,0]=4 110 B4R0.1 C=C[C@H](C)N 81150 [2,0,0,0,0,0|1,0,1]=4 111 B4R0.1 C=C[C@H](C)N C77628 [2,0,0,0,0,0|1,0,1]=4 112 B4R0.1 C=C[C@H](C)N N11410 [2,0,0,0,0,0|1,0,1]=4 113 B4R0.1 CC(C)CBr P19652 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,1]=4 115 B4R0.1 C[C@H](Br)CN F11189 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 C[C@H](Br)CO W17591 [2,0,0,0,0,0|1,0,1]=4 117 B4R0.1 C[C@H](Cl)CN Y14715 [2,0,0,0,0,0|2,0,0]=4 118 B4R0.1 C[C@H](N)CF AC1136 [2,0,0,0,0,0|2,0,0]=4 119 B4R0.1 C[C@H](N)CF AC6177 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,1]=4 121 B4R0.2 COCCI A50601 [2,0,0,0,0,0|1,1,0]=4 122 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|1,0,0]=3 123 B4R0.2 NCCCS A11074 [2,0,0,0,0,0|1,0,1]=4 124 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|0,0,2]=4 125 B4R0.2 SCCCBr 77989 [2,0,0,0,0,0|1,0,1]=4 126 B6R0.2 CC(=O)CC(=O)[O-] T70807 [1,1,0,0,0,0|0,1,1]=4 127 B6R0.2 CC(C)CC(N)=O C75541 [1,1,0,0,0,0|0,0,0]=2 128 B6R0.2 CC(C)NC(N)=O 44261 [1,1,0,0,0,0|1,0,0]=3 129 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,1,0,0,0,0|0,1,0]=3 130 B6R0.3 CC(C)[C@@H](C)CO D93394 [1,1,0,0,0,0|0,0,2]=4 131 B6R0.4 C#CCOC(C)C 79308 [1,1,0,0,0,0|1,0,1]=4 132 B6R0.4 CC(=O)CCC=O P17049 [1,1,0,0,0,0|0,1,1]=4 133 B6R0.4 CC(C)CCC=O 31143 [1,1,0,0,0,0|0,0,0]=2 134 B6R0.4 CC(C)OCCBr 33996 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.4 CC(C)OCCN T71353 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.5 C#CCC(C)(C)O 77946 [1,1,0,0,0,0|1,0,1]=4 137 B6R0.5 C=CCC(C)(C)C T71314 [1,1,0,0,0,0|1,0,0]=3 138 B6R0.5 C=CC[N+](C)(C)C AC2497 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.5 CC(C)(C)CCI D86336 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.5 CC(C)(F)CCN W17442 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.5 CC(C)(O)CCN A51232 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.5 CC(C)(O)CON AC7988 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.5 CNCC(C)(C)F 85781 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.8 CC(C)(C=O)CCl C90225 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.8 COC(C)(C)CBr 71702 [1,1,0,0,0,0|1,1,0]=4 146 B6R0.9 CCC(CBr)CBr W17735 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.9 CC[C@@H](CN)CO Y13480 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.9 CO[C@@H](CN)CO P20679 [1,1,0,0,0,0|0,1,1]=4 149 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,2,0,0,0,0|1,0,0]=3 150 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,2,0,0,0,0|1,0,0]=3 151 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A11792 [0,2,0,0,0,0|0,1,0]=3 152 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,2,0,0,0,0|1,0,0]=3 153 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,2,0,0,0,0|2,0,0]=4 154 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,2,0,0,0,0|2,0,0]=4 155 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,2,0,0,0,0|2,0,0]=4 156 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,2,0,0,0,0|2,0,0]=4 157 B8R0.23 CC(C)N(C)CC(=O)O 71944 [0,2,0,0,0,0|2,0,0]=4 158 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,2,0,0,0,0|2,0,0]=4 159 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,2,0,0,0,0|2,0,0]=4 160 B8R0.34 CC(C)(C#N)CC(=O)O AT13969 [0,2,0,0,0,0|2,0,0]=4 161 B8R0.34 CC(C)(CN)CC(=O)O C11406 [0,2,0,0,0,0|2,0,0]=4 162 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,2,0,0,0,0|1,0,1]=4 163 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [0,2,0,0,0,0|1,0,0]=3 164 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,2,0,0,0,0|2,0,0]=4 165 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,1,0,0|1,0,1]=4 166 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,1,0,0|0,1,1]=4 167 B6R1.3 BrCCC1CC1 32177 [1,0,0,1,0,0|1,0,1]=4 168 B6R1.3 C#CCC1CC1 70830 [1,0,0,1,0,0|1,0,1]=4 169 B6R1.3 CNCC1CC1 P11100 [1,0,0,1,0,0|2,0,0]=4 170 B6R1.3 ICCC1CC1 73383 [1,0,0,1,0,0|1,0,1]=4 171 B6R1.3 NNCC1CC1 P11241 [1,0,0,1,0,0|2,0,0]=4 172 B6R1.3 NOCC1CC1 59190 [1,0,0,1,0,0|2,0,0]=4 173 B6R1.3 O=CCC1CC1 P10743 [1,0,0,1,0,0|0,0,0]=2 174 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,1,0,0|0,0,0]=2 175 B6R1.5 CC1CC(N)C1 72358 [1,0,0,1,0,0|1,0,1]=4 176 B6R1.5 CN1CC(=O)C1 P15929 [1,0,0,1,0,0|1,0,0]=3 177 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,1,0,0|0,1,0]=3 178 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [1,0,0,1,0,0|1,0,1]=4 179 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [1,0,0,1,0,0|1,0,1]=4 180 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,1,0,0|0,1,0]=3 181 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [1,0,0,1,0,0|0,0,2]=4 182 B6R1.9 CC1(C)C[C@@H]1N 69330 [1,0,0,1,0,0|1,0,1]=4 183 B6R1.4 C[C@@H]1OCC1=O P16003 [1,0,0,1,0,0|2,0,0]=4 184 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,1,0,0|1,0,0]=3 185 B6R1.4 C[C@H]1CNC1=O P20594 [1,0,0,1,0,0|2,0,0]=4 186 B6R1.4 O=C1CC[C@@H]1Br P18435 [1,0,0,1,0,0|2,0,0]=4 187 B6R1.6 CSC1CNC1 37205 [1,0,0,1,0,0|2,0,0]=4 188 B6R1.6 NNC1CSC1 BL010352 [1,0,0,1,0,0|2,0,0]=4 189 B6R1.6 O=CC1COC1 84841 [1,0,0,1,0,0|0,1,0]=3 190 B6R1.7 CC1(CN)CC1 W10016 [1,0,0,1,0,0|2,0,0]=4 191 B6R1.7 C[C@]1(CO)CO1 95575 [1,0,0,1,0,0|0,1,1]=4 192 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [0,1,0,1,0,0|1,0,1]=4 193 B8R1.1 N#C[C@@H]1CNC(=O)C1 P17251 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [0,1,0,1,0,0|1,0,1]=4 195 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [0,1,0,1,0,0|2,0,0]=4 198 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,1,0,0|1,0,0]=3 205 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.4 CN1CCCC(=O)C1 S10664 [0,1,0,1,0,0|2,0,0]=4 208 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,1,0,0|1,0,0]=3 210 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,1,0,0|1,0,0]=3 211 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,1,0,0|0,1,0]=3 212 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,1,0,1,0,0|2,0,0]=4 219 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,1,0,1,0,0|1,0,0]=3 222 B8R1.18 CN1C[C@@H](N)CC1=O P10878 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,1,0,1,0,0|2,0,0]=4 224 B8R1.31 CC1NCC1C(=O)O P14366 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.34 CC(=O)CC1CCC1 D79207 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.34 CC(=O)CC1COC1 CS1731 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.34 N=C(N)CC1CCC1 33747 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.34 O=C(O)CC1CNC1 37024 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.34 O=C(O)CC1COC1 66388 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.34 O=C(O)CN1CCC1 55159 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.34 O=C([O-])CC1COC1 P19943 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.43 N#CC1CC1C(=O)O P14648 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.43 N#C[C@H]1C[C@@H]1C(=O)O P14731 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O P14732 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.43 O=C(O)C1CC1CCl D85971 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,1,0,1,0,0|1,0,0]=3 244 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.51 CC1(C)COC(=O)C1 82056 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.62 CC1(C#N)CC(=O)C1 P15927 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.62 CC1(CO)CC(=O)C1 39121 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,1,0,1,0,0|1,0,0]=3 253 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,1,0,1,0,0|1,0,0]=3 255 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,1,0,1,0,0|0,1,0]=3 256 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.3 O=C1CCC(F)CC1 23163 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.23 CC(=O)N1CC(=O)C1 D96529 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.23 CC(C)[C@@H]1CC(=O)N1 P18338 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.23 O=C1CC(C(F)F)C1 W13841 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.6 CCCC1CC(=O)C1 D96728 [0,1,0,1,0,0|1,0,0]=3 267 B8R1.6 N#CCC1CC(=O)C1 P15944 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.8 O=CCC1CCCC1 F11683 [0,1,0,1,0,0|1,0,0]=3 270 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,2,0,0|1,0,0]=3 271 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,2,0,0|1,0,0]=3 272 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|2,0,0]=4 273 B8R2.53 O=C1CC2(CC2)C1 N13186 [0,0,0,2,0,0|1,0,0]=3