0 B5R0.2 C#CCNOC AT24887 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C=CCNOC AT24925 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 CCNCCS AT25561 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.2 CCOCC=O AT18655 [0,0,0,0,0,0|1,1,1]=3 4 B5R0.2 CNCCCF AT22549 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 CSSCCN AT25568 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 NCCCCF D75976 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.2 NCCCCS AT25915 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.2 O=CCCCBr AT24507 [0,0,0,0,0,0|1,1,1]=3 9 B5R0.2 [C-]#[N+]CCSC AT25542 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.2 NOCCF AT14503 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 C#CC[C@H](O)CO D74768 [0,1,0,0,0,0|0,1,2]=4 12 B6R0.1 C=CC[C@H](N)CF AT24441 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.1 C=CC[C@H](O)CN AT10909 [0,1,0,0,0,0|1,0,2]=4 14 B6R0.1 C=CC[C@H](O)CN AT10910 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.1 CCC[C@H](N)CF AC5307 [0,1,0,0,0,0|1,0,0]=2 16 B6R0.1 CCC[C@H](N)CF AC7092 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.1 CC[C@H](N)CCO AT14304 [0,1,0,0,0,0|0,1,0]=2 18 B6R0.1 CC[C@H](N)CCO AT22343 [0,1,0,0,0,0|0,1,0]=2 19 B6R0.1 CC[C@H](N)CCO AT22346 [0,1,0,0,0,0|0,1,0]=2 20 B6R0.1 CC[C@H](O)CON AT14514 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.1 CNC[C@H](O)CF AT22540 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.1 COCC(=O)CBr AT12825 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 COC[C@@H](F)CN P20360 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.1 COC[C@@H](N)CO 91278 [0,1,0,0,0,0|1,1,0]=3 25 B6R0.1 COC[C@@H](N)CO D75105 [0,1,0,0,0,0|1,1,0]=3 26 B6R0.1 COC[C@@H](N)CO D75106 [0,1,0,0,0,0|1,1,0]=3 27 B6R0.1 N[C@H](CF)CCO AT24448 [0,1,0,0,0,0|1,1,0]=3 28 B6R0.1 N[C@H](CO)CCF E72842 [0,1,0,0,0,0|1,1,0]=3 29 B6R0.1 N[C@H](CO)CCO D75100 [0,1,0,0,0,0|1,1,0]=3 30 B6R0.1 OCC[C@H](O)CCl AT21895 [0,1,0,0,0,0|1,1,0]=3 31 B6R0.4 CC#CC[C@H](C)N AT21841 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.4 CC(=O)CCCN C77428 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.4 CCNCC(F)F AT23781 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.4 CNCCC(F)F AT22541 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.4 FC(F)OCCBr AT14902 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.4 NCCCC(F)F D75977 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.4 NCCOC(F)F AT12486 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.4 NCCSC(F)F AT25569 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.4 OCCOC(F)F 89958 [0,1,0,0,0,0|2,1,0]=4 40 B6R0.6 C#CCNCCBr D73839 [0,1,0,0,0,0|1,0,2]=4 41 B6R0.6 COCOCCN AC9200 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.6 CSCCN=C=O AT25543 [0,1,0,0,0,0|1,1,1]=4 43 B6R0.6 Cl[13CH2][13CH2]N[13CH2][13CH2]Cl AT23538 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.6 NCCOCCS AT12749 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.6 NNCCCCO AB9420 [0,1,0,0,0,0|1,1,0]=3 46 B6R0.6 O=CNCCCF AT22548 [0,1,0,0,0,0|1,1,1]=4 47 B6R1.2 Br[C@H]1CCNC1 D87521 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.2 CC1=NNCC1 D76466 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.3 NCCN1CC1 P18027 [0,0,0,1,0,0|2,0,0]=3 50 B6R1.3 OCC[C@H]1CO1 D72936 [0,0,0,1,0,0|1,1,0]=3 51 B6R1.3 OCC[C@H]1CO1 D74321 [0,0,0,1,0,0|1,1,0]=3 52 B6R1.4 CC1CCC1N AT10478 [0,0,0,1,0,0|1,0,0]=2 53 B6R1.4 CC1CCC1O AC8042 [0,0,0,1,0,0|0,1,0]=2 54 B6R1.4 CC1CNC1C E72893 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.4 C[C@@H]1NC[C@@H]1F AT24718 [0,0,0,1,0,0|2,0,0]=3 56 B6R1.4 C[C@@H]1NC[C@@H]1F AT24722 [0,0,0,1,0,0|2,0,0]=3 57 B6R1.4 C[C@H]1NC[C@@H]1F AT24723 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.4 C[C@H]1NC[C@@H]1F D79132 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.4 N[C@@H]1CC[C@@H]1O P20950 [0,0,0,1,0,0|1,1,0]=3 60 B6R1.4 N[C@@H]1CC[C@@H]1O P20953 [0,0,0,1,0,0|1,1,0]=3 61 B6R1.4 N[C@H]1CCC1=O AT24523 [0,0,0,1,0,0|1,1,1]=4 62 B6R1.4 O=C1CC[C@@H]1O 94997 [0,0,0,1,0,0|1,1,1]=4 63 B6R1.6 C=CC1CNC1 AT25649 [0,0,0,1,0,0|2,0,1]=4 64 B6R1.6 CNC1COC1 20485 [0,0,0,1,0,0|3,0,0]=4 65 B6R1.6 CNC1CSC1 AT25559 [0,0,0,1,0,0|3,0,0]=4 66 B6R1.6 FC[C@H]1CCN1 P12566 [0,0,0,1,0,0|2,0,0]=3 67 B6R1.6 FC[C@H]1CCN1 P13956 [0,0,0,1,0,0|2,0,0]=3 68 B6R1.6 FC[C@H]1CCN1 P14908 [0,0,0,1,0,0|2,0,0]=3 69 B6R1.6 N#C[C@@H]1CCN1 P14910 [0,0,0,1,0,0|2,0,1]=4 70 B6R1.6 N#C[C@@H]1CCN1 P14911 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.6 N#C[C@@H]1CCN1 P15768 [0,0,0,1,0,0|2,0,1]=4 72 B6R1.6 NOC1CCC1 97654 [0,0,0,1,0,0|2,0,0]=3 73 B6R1.6 O=CC1CSC1 AT24592 [0,0,0,1,0,0|1,1,1]=4 74 B6R1.6 OCC1CSC1 P14098 [0,0,0,1,0,0|1,1,0]=3 75 B6R1.8 CC1CC1CN E73335 [0,0,0,1,0,0|1,0,0]=2 76 B6R1.8 COC1CC1N 92032 [0,0,0,1,0,0|2,0,0]=3 77 B6R1.8 CO[C@H]1C[C@@H]1N AT11447 [0,0,0,1,0,0|2,0,0]=3 78 B6R1.8 CO[C@H]1C[C@@H]1N D74325 [0,0,0,1,0,0|2,0,0]=3 79 B6R1.8 C[C@H]1C[C@@H]1C=O AT23548 [0,0,0,1,0,0|0,1,1]=3 80 B6R1.8 C[C@H]1C[C@@H]1CBr 55227 [0,0,0,1,0,0|1,0,0]=2 81 B6R1.8 C[C@H]1C[C@@H]1CBr AT23414 [0,0,0,1,0,0|1,0,0]=2 82 B6R1.8 C[C@H]1C[C@@H]1CBr AT23416 [0,0,0,1,0,0|1,0,0]=2 83 B6R1.8 C[C@H]1C[C@@H]1CN 73150 [0,0,0,1,0,0|1,0,0]=2 84 B6R1.8 C[C@H]1C[C@@H]1CO AT23417 [0,0,0,1,0,0|0,1,0]=2 85 B6R1.8 C[C@H]1C[C@@H]1CO AT23419 [0,0,0,1,0,0|0,1,0]=2 86 B6R1.8 N#C[C@H]1C[C@@H]1F CS3438 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.8 N#C[C@H]1C[C@@H]1F CS3441 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.8 NC1CC1CF AT23905 [0,0,0,1,0,0|2,0,0]=3 89 B6R1.8 N[C@H]1C[C@@H]1CF AT13342 [0,0,0,1,0,0|2,0,0]=3 90 B6R1.8 N[C@H]1C[C@@H]1CF AT23917 [0,0,0,1,0,0|2,0,0]=3 91 B6R1.8 N[C@H]1C[C@@H]1CO AT13340 [0,0,0,1,0,0|1,1,0]=3 92 B6R1.8 N[C@H]1C[C@H]1CF AT23916 [0,0,0,1,0,0|2,0,0]=3 93 B6R1.8 N[C@H]1C[C@H]1CO AT12843 [0,0,0,1,0,0|1,1,0]=3 94 B6R1.8 O=CC1CC1Cl C77400 [0,0,0,1,0,0|1,1,1]=4 95 B6R1.8 OCC1CC1Cl AT20161 [0,0,0,1,0,0|1,1,0]=3 96 B6R1.8 OC[C@@H]1C[C@@H]1F 97730 [0,0,0,1,0,0|1,1,0]=3 97 B6R1.8 OC[C@@H]1C[C@@H]1F CS3456 [0,0,0,1,0,0|1,1,0]=3 98 B6R1.8 OC[C@@H]1C[C@@H]1F CS3462 [0,0,0,1,0,0|1,1,0]=3 99 B6R1.8 OC[C@H]1C[C@@H]1F CS3465 [0,0,0,1,0,0|1,1,0]=3 100 B3R0.1 N[13CH2][13CH2]N D98346 [2,0,0,0,0,0|2,0,0]=4 101 B3R0.1 [2H]CCI D99684 [2,0,0,0,0,0|2,0,0]=4 102 B3R0.1 [2H]CCO D98012 [2,0,0,0,0,0|1,1,0]=4 103 B5R0.1 BrCCC(Br)Br AT23421 [1,1,0,0,0,0|2,0,0]=4 104 B5R0.1 CNC[C@H](C)O C77457 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.1 C[C@H](F)CCN D76461 [1,1,0,0,0,0|1,0,0]=3 106 B5R0.1 C[C@H](N)CCF AT11794 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.1 C[C@H](O)CCN D77178 [1,1,0,0,0,0|1,0,0]=3 108 B5R0.1 C[S@](=O)CCN AT24515 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.1 FC(F)CCBr AT23420 [1,1,0,0,0,0|2,0,0]=4 110 B5R0.3 CC[C@H](F)CN D76437 [1,1,0,0,0,0|1,0,0]=3 111 B5R0.3 CC[C@H](N)CF AC5314 [1,1,0,0,0,0|1,0,0]=3 112 B5R0.3 CC[C@H](O)CN D72871 [1,1,0,0,0,0|1,0,0]=3 113 B5R0.3 C[C@@H](CN)CO 70250 [1,1,0,0,0,0|1,1,0]=4 114 B5R0.3 NC[C@H](F)CO AT21905 [1,1,0,0,0,0|1,1,0]=4 115 B5R0.3 NC[C@H](N)CO D75091 [1,1,0,0,0,0|1,1,0]=4 116 B5R0.3 NC[C@H](N)CO D75092 [1,1,0,0,0,0|1,1,0]=4 117 B5R0.3 N[C@@H](CO)CF D75094 [1,1,0,0,0,0|1,1,0]=4 118 B5R0.3 OC[C@H](O)CF AT22386 [1,1,0,0,0,0|1,1,0]=4 119 B7R0.2 CC(C)C[C@H](N)CF AC4927 [0,2,0,0,0,0|1,0,0]=3 120 B7R0.3 C=CCC[C@H](N)CO D75109 [0,2,0,0,0,0|0,1,1]=4 121 B7R0.3 C[C@H](CN)CCCO AC9867 [0,2,0,0,0,0|0,1,0]=3 122 B7R0.3 C\C=C(/C)CCCC T72329 [0,2,0,0,0,0|1,0,1]=4 123 B7R0.5 N[C@@H](CCO)C(F)F AT24425 [0,2,0,0,0,0|1,1,0]=4 124 B7R0.7 C#CC[C@H](N)COC AT12986 [0,2,0,0,0,0|1,0,1]=4 125 B7R0.7 CCC[C@H](O)COC D77523 [0,2,0,0,0,0|0,1,0]=3 126 B7R0.7 COCC(Cl)COC D74903 [0,2,0,0,0,0|1,1,0]=4 127 B7R0.11 CC(C)(CO)CCN AT20761 [0,2,0,0,0,0|1,1,0]=4 128 B7R0.11 CCCC(C)(C)CO A10859 [0,2,0,0,0,0|0,1,0]=3 129 B7R0.11 CNCC(F)(F)CO AT23992 [0,2,0,0,0,0|1,1,0]=4 130 B7R0.11 COCC(F)(F)CO AT12478 [0,2,0,0,0,0|1,1,0]=4 131 B7R0.11 OCCC(F)(F)CO AT12562 [0,2,0,0,0,0|1,1,0]=4 132 B7R0.4 CCCCC[13C](=O)O 41454 [0,2,0,0,0,0|0,1,0]=3 133 B7R0.4 CNCCOC(F)F AT24686 [0,2,0,0,0,0|2,0,0]=4 134 B7R0.4 C[S@](=O)CCCCN AT23964 [0,2,0,0,0,0|1,0,0]=3 135 B7R0.4 FC(F)COCCS AT25479 [0,2,0,0,0,0|1,0,0]=3 136 B7R0.4 FC(F)OCCCBr AT14903 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.4 NCCCCC(N)=O D77059 [0,2,0,0,0,0|0,1,1]=4 138 B7R0.6 C[C@H](N)CCC(=O)O D75535 [0,2,0,0,0,0|0,1,1]=4 139 B7R0.6 C[C@H](N)COC(F)F AT11802 [0,2,0,0,0,0|2,0,0]=4 140 B7R0.6 C[C@H](N)COC(F)F AT11804 [0,2,0,0,0,0|2,0,0]=4 141 B7R0.6 C[C@H](N)COC(F)F AT14502 [0,2,0,0,0,0|2,0,0]=4 142 B7R0.6 C[C@H](N)COC(F)F AT14505 [0,2,0,0,0,0|2,0,0]=4 143 B7R0.6 C[C@H](N)COC(F)F AT14898 [0,2,0,0,0,0|2,0,0]=4 144 B7R0.8 CC(C)(Cl)CCCCl D86383 [0,2,0,0,0,0|1,0,0]=3 145 B7R0.8 CP(C)(=O)CCCN AT13346 [0,2,0,0,0,0|2,0,0]=4 146 B7R0.8 CP(C)(=O)CCCN AT13377 [0,2,0,0,0,0|2,0,0]=4 147 B7R0.8 [2H]C([2H])(Br)CCCC D98640 [0,2,0,0,0,0|1,0,0]=3 148 B7R0.8 [2H]C([2H])([2H])CCCBr D99689 [0,2,0,0,0,0|2,0,0]=4 149 B7R0.1 C#CCCCCCN D76475 [0,2,0,0,0,0|1,0,0]=3 150 B7R0.1 CCCNNCCC D79943 [0,2,0,0,0,0|1,0,0]=3 151 B7R0.1 NCCCNCCS W12622 [0,2,0,0,0,0|0,0,0]=2 152 B7R0.1 NCCC\C=C\CO AT22200 [0,2,0,0,0,0|0,1,1]=4 153 B7R0.1 NCCSSCCO C70186 [0,2,0,0,0,0|1,1,0]=4 154 B7R0.1 NOCCOCCO C70226 [0,2,0,0,0,0|1,1,0]=4 155 B5R1.2 C[C@H]1CCN1 S11047 [1,0,0,1,0,0|1,0,0]=3 156 B5R1.2 SC1CCC1 AT12396 [1,0,0,1,0,0|0,0,0]=2 157 B5R1.2 [18F]C1CNC1 AT24717 [1,0,0,1,0,0|2,0,0]=4 158 B5R1.4 CC1CC1Br AT22556 [1,0,0,1,0,0|1,0,0]=3 159 B5R1.4 C[C@@H]1C[C@@H]1N AT26073 [1,0,0,1,0,0|1,0,0]=3 160 B5R1.4 C[C@H]1C[C@@H]1N AT11455 [1,0,0,1,0,0|1,0,0]=3 161 B5R1.4 C[C@H]1C[C@@H]1N AT11456 [1,0,0,1,0,0|1,0,0]=3 162 B5R1.4 FC1CC1Br CS2874 [1,0,0,1,0,0|2,0,0]=4 163 B5R1.4 NC1CC1F P19355 [1,0,0,1,0,0|2,0,0]=4 164 B5R1.4 NC1CC1N AC7084 [1,0,0,1,0,0|2,0,0]=4 165 B5R1.4 NC1CC1O 92033 [1,0,0,1,0,0|1,1,0]=4 166 B5R1.4 N[C@H]1C[C@@H]1N AC9805 [1,0,0,1,0,0|2,0,0]=4 167 B5R1.4 N[C@H]1C[C@H]1N AT11451 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.1 C#C[C@@H]1CCCO1 AT10094 [0,1,0,1,0,0|0,1,1]=4 169 B7R1.1 C#C[C@@H]1CCCO1 AT10095 [0,1,0,1,0,0|0,1,1]=4 170 B7R1.1 C#C[C@@H]1CCCO1 AT10096 [0,1,0,1,0,0|0,1,1]=4 171 B7R1.1 C#C[C@H]1CCNC1 D72931 [0,1,0,1,0,0|1,0,1]=4 172 B7R1.1 C#C[C@H]1CCOC1 AT10097 [0,1,0,1,0,0|1,0,1]=4 173 B7R1.1 C#C[C@H]1CCOC1 AT10098 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.1 C=CN1CCCC1 C11100 [0,1,0,1,0,0|1,0,1]=4 175 B7R1.1 CC[C@H]1CCCN1 RB4030 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.1 FC[C@H]1CCCN1 P12557 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.1 FC[C@H]1CCNC1 AT23179 [0,1,0,1,0,0|1,0,0]=3 178 B7R1.1 NC[C@@H]1C=CCC1 E73245 [0,1,0,1,0,0|1,0,1]=4 179 B7R1.1 NO[C@H]1CCOC1 97657 [0,1,0,1,0,0|1,1,0]=4 180 B7R1.1 O=C[C@@H]1CCCO1 98506 [0,1,0,1,0,0|0,1,1]=4 181 B7R1.1 O=C[C@@H]1CCCO1 98507 [0,1,0,1,0,0|0,1,1]=4 182 B7R1.1 O=C[C@H]1CCOC1 58457 [0,1,0,1,0,0|0,1,1]=4 183 B7R1.1 O=C[C@H]1CCOC1 58458 [0,1,0,1,0,0|0,1,1]=4 184 B7R1.1 OC[C@H]1CCON1 AT14857 [0,1,0,1,0,0|1,1,0]=4 185 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13012 [0,1,0,1,0,0|1,0,0]=3 186 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,1,0,1,0,0|1,0,1]=4 187 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,1,0,1,0,0|1,0,1]=4 188 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,1,0,1,0,0|1,0,1]=4 189 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,1,0,1,0,0|1,0,1]=4 190 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,1,0,1,0,0|1,0,1]=4 191 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [0,1,0,1,0,0|1,0,0]=3 192 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [0,1,0,1,0,0|1,0,0]=3 193 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [0,1,0,1,0,0|1,0,0]=3 194 B7R1.2 C[C@H]1C[C@H](O)CN1 F13847 [0,1,0,1,0,0|1,0,0]=3 195 B7R1.2 NC1CCC(F)C1 E72865 [0,1,0,1,0,0|1,0,0]=3 196 B7R1.2 N[C@@H]1CC[C@H](F)C1 W15419 [0,1,0,1,0,0|1,0,0]=3 197 B7R1.2 N[C@@H]1CC[C@H](F)C1 W19686 [0,1,0,1,0,0|1,0,0]=3 198 B7R1.2 N[C@H]1CC[C@H](F)C1 73245 [0,1,0,1,0,0|1,0,0]=3 199 B7R1.3 C=C1CCNCC1 D77655 [0,1,0,1,0,0|1,0,1]=4 200 B7R1.3 C[C@H]1CNCCS1 AT10752 [0,1,0,1,0,0|0,0,0]=2 201 B7R1.3 C[C@H]1CSCCN1 AT10757 [0,1,0,1,0,0|1,0,0]=3 202 B7R1.3 N[C@@H]1CC=CCC1 AT10535 [0,1,0,1,0,0|1,0,1]=4 203 B7R1.3 N[C@@H]1CC=CCC1 AT10537 [0,1,0,1,0,0|1,0,1]=4 204 B7R1.3 N[C@@H]1CCCCN1 F13375 [0,1,0,1,0,0|1,0,0]=3 205 B7R1.4 CC1CNCC1N AT23640 [0,1,0,1,0,0|1,0,0]=3 206 B7R1.4 CC1NCCC1O 94946 [0,1,0,1,0,0|0,1,0]=3 207 B7R1.4 CC1NCCC1O AT22499 [0,1,0,1,0,0|0,1,0]=3 208 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [0,1,0,1,0,0|0,1,0]=3 209 B7R1.4 C[C@@H]1NCCC1=O AT25613 [0,1,0,1,0,0|0,1,1]=4 210 B7R1.4 C[C@@H]1NCC[C@@H]1O AT22514 [0,1,0,1,0,0|0,1,0]=3 211 B7R1.4 C[C@@H]1NCC[C@@H]1O C90248 [0,1,0,1,0,0|0,1,0]=3 212 B7R1.4 C[C@H]1CCNC1=O D72756 [0,1,0,1,0,0|0,1,1]=4 213 B7R1.4 C[C@H]1CNC[C@@H]1N AT23637 [0,1,0,1,0,0|1,0,0]=3 214 B7R1.4 C[C@H]1CNC[C@@H]1N AT23638 [0,1,0,1,0,0|1,0,0]=3 215 B7R1.4 C[C@H]1CNC[C@@H]1N AT23639 [0,1,0,1,0,0|1,0,0]=3 216 B7R1.4 C[C@H]1CNC[C@@H]1O P12669 [0,1,0,1,0,0|0,1,0]=3 217 B7R1.4 C[C@H]1COC[C@@H]1N D72913 [0,1,0,1,0,0|1,0,0]=3 218 B7R1.4 C[C@H]1NCC[C@@H]1O AT23994 [0,1,0,1,0,0|0,1,0]=3 219 B7R1.4 NC1COCC1F E72312 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.4 N[C@@H]1CNC[C@@H]1F D75765 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.4 N[C@@H]1COC[C@@H]1F D72819 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.4 N[C@@H]1CSC[C@@H]1O D72825 [0,1,0,1,0,0|1,1,0]=4 223 B7R1.4 N[C@H]1CCC[C@H]1N F16268 [0,1,0,1,0,0|1,0,0]=3 224 B7R1.4 N[C@H]1COC[C@@H]1O AT26726 [0,1,0,1,0,0|1,1,0]=4 225 B7R1.4 N[C@H]1CSC[C@@H]1O D72826 [0,1,0,1,0,0|1,1,0]=4 226 B7R1.5 CCC[C@@H]1ON1C C11697 [0,1,0,1,0,0|1,1,0]=4 227 B7R1.5 CCO[C@H]1C[C@@H]1N AT11448 [0,1,0,1,0,0|1,0,0]=3 228 B7R1.6 NCCC1CNC1 AC9109 [0,1,0,1,0,0|1,0,0]=3 229 B7R1.8 COC1CCC1N AT20027 [0,1,0,1,0,0|1,0,0]=3 230 B7R1.8 CO[C@H]1CC[C@@H]1N AT20051 [0,1,0,1,0,0|1,0,0]=3 231 B7R1.8 CO[C@H]1CC[C@@H]1N AT20055 [0,1,0,1,0,0|1,0,0]=3 232 B7R1.8 CO[C@H]1CC[C@H]1N AT20049 [0,1,0,1,0,0|1,0,0]=3 233 B7R1.8 CO[C@H]1CC[C@H]1N AT20056 [0,1,0,1,0,0|1,0,0]=3 234 B7R1.8 CO[C@H]1CC[C@H]1N AT20057 [0,1,0,1,0,0|1,0,0]=3 235 B7R1.8 NC[C@H]1CC[C@@H]1O AT20432 [0,1,0,1,0,0|0,1,0]=3 236 B7R1.8 OC[C@@H]1CC[C@@H]1O P19439 [0,1,0,1,0,0|0,1,0]=3 237 B7R1.9 C#CC1CC1CO 70206 [0,1,0,1,0,0|0,1,1]=4 238 B7R1.9 NC[C@H]1C[C@@H]1CO AT20739 [0,1,0,1,0,0|0,1,0]=3 239 B7R1.9 OC[C@H]1C[C@@H]1CO AT12393 [0,1,0,1,0,0|0,1,0]=3 240 B7R1.10 C#CC1CC(F)C1 94350 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.10 CC1CC(CBr)C1 57439 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.10 CC1CC(CO)C1 57437 [0,1,0,1,0,0|0,1,0]=3 243 B7R1.10 CN[C@H]1C[C@H](O)C1 P15672 [0,1,0,1,0,0|1,1,0]=4 244 B7R1.10 CO[C@H]1C[C@@H](N)C1 P15668 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.10 CO[C@H]1C[C@H](N)C1 P12378 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.10 CSC1CC(O)C1 AT20178 [0,1,0,1,0,0|1,1,0]=4 247 B7R1.10 CS[C@H]1C[C@@H](O)C1 AT20156 [0,1,0,1,0,0|1,1,0]=4 248 B7R1.10 CS[C@H]1C[C@H](N)C1 AT20163 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.10 NC1CC(CO)C1 P10843 [0,1,0,1,0,0|0,1,0]=3 250 B7R1.10 OC[C@H]1C[C@H](F)C1 AT26788 [0,1,0,1,0,0|0,1,0]=3 251 B7R1.21 COCC1(N)CC1 AT11799 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.21 COCC1(O)CC1 D72925 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.21 NC1(CCO)CC1 P12555 [0,1,0,1,0,0|0,1,0]=3 254 B7R1.21 NCCC1(O)CC1 AT11469 [0,1,0,1,0,0|1,0,0]=3 255 B7R1.21 O=CCC1(F)CC1 AT21838 [0,1,0,1,0,0|0,1,1]=4 256 B7R1.22 OC[C@H](F)C1CC1 P14038 [0,1,0,1,0,0|0,1,0]=3 257 B7R1.25 CC1(CN)CCC1 P11843 [0,1,0,1,0,0|1,0,0]=3 258 B7R1.25 C[C@]1(CO)CCN1 P12582 [0,1,0,1,0,0|1,1,0]=4 259 B7R1.25 NC1(CF)COC1 AT13341 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.25 NC1(CO)COC1 AT13393 [0,1,0,1,0,0|1,1,0]=4 261 B7R1.25 NCC1(F)CCC1 D72737 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.25 NCC1(N)CCC1 O10312 [0,1,0,1,0,0|1,0,0]=3 263 B7R1.25 NCC1(N)COC1 E73118 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.25 OCC1(O)CNC1 D86070 [0,1,0,1,0,0|1,1,0]=4 265 B7R1.25 OCC1(O)CNC1 P14053 [0,1,0,1,0,0|1,1,0]=4 266 B7R1.27 CO[C@@]1(C)C[C@H]1N AT11449 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.7 OCCOC1CC1 AT11518 [0,1,0,1,0,0|0,1,0]=3 268 B7R1.12 CC1CC1B(O)O AT22555 [0,1,0,1,0,0|1,1,0]=4 269 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [0,1,0,1,0,0|0,1,1]=4 270 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [0,1,0,1,0,0|0,1,1]=4 271 B7R1.14 CC1(C)C=CCC1 AC8462 [0,1,0,1,0,0|1,0,1]=4 272 B7R1.14 C[C@]1(F)CCNC1 P12925 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.14 C[C@]1(N)CCNC1 F13099 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.14 C[C@]1(N)CCNC1 F14416 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.17 CC1(C)CCC1=O P17178 [0,1,0,1,0,0|0,1,1]=4 276 B7R1.17 CC1(C)NC[C@@H]1F AT24724 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.17 CC1(C)NC[C@@H]1N P12469 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.17 CC1(C)NC[C@@H]1N P19365 [0,1,0,1,0,0|2,0,0]=4 279 B7R1.17 CC1(C)SC[C@@H]1N E72936 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.17 C[C@]1(O)CC[C@@H]1N AT11409 [0,1,0,1,0,0|1,0,0]=3 281 B7R1.18 C[C@H](N)C1COC1 79834 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.18 C[C@H](N)C1COC1 79837 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.18 C[C@H](O)C1CNC1 E73194 [0,1,0,1,0,0|1,1,0]=4 284 B7R1.18 O=[S@](O)C1CCC1 AT20162 [0,1,0,1,0,0|1,1,0]=4 285 B7R1.20 NC(=O)CC1CC1 D72924 [0,1,0,1,0,0|0,1,1]=4 286 B7R1.23 CC1(C)O[C@H]1CBr AC8137 [0,1,0,1,0,0|2,0,0]=4 287 B7R2.13 C1CC2NC2C1 AT21516 [0,0,0,2,0,0|1,0,0]=3 288 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D72941 [0,0,0,2,0,0|1,0,0]=3 289 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D75836 [0,0,0,2,0,0|1,0,0]=3 290 B7R2.11 C1NC2CC1C2 P12110 [0,0,0,2,0,0|1,0,0]=3 291 B7R2.3 N[C@H]1CC12CC2 AT11454 [0,0,0,2,0,0|1,0,0]=3 292 B7R2.16 C1CC2(CC2)N1 AT24287 [0,0,0,2,0,0|1,0,0]=3 293 B7R2.8 NC1C2CC1C2 P12554 [0,0,0,2,0,0|1,0,0]=3 294 B7R2.8 NC1C2CC1C2 P14605 [0,0,0,2,0,0|1,0,0]=3