0 B5R0.2 C#CCNOC AT24887 [0,0,0,0,0,0|1,1,2]=4 1 B5R0.2 C=CCNOC AT24925 [0,0,0,0,0,0|1,1,2]=4 2 B5R0.2 CCNCCS AT25561 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.2 CCOCC=O AT18655 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.2 CNCCCF AT22549 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.2 CSSCCN AT25568 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.2 NCCCCF D75976 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.2 NCCCCS AT25915 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.2 O=CCCCBr AT24507 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.2 [C-]#[N+]CCSC AT25542 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.2 NOCCF AT14503 [1,0,0,0,0,0|2,1,0]=4 11 B6R0.1 CCC[C@H](N)CF AC5307 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.1 CCC[C@H](N)CF AC7092 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.1 CC[C@H](N)CCO AT14304 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.1 CC[C@H](N)CCO AT22343 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.1 CC[C@H](N)CCO AT22346 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.1 CC[C@H](O)CON AT14514 [0,1,0,0,0,0|2,1,0]=4 17 B6R0.1 CNC[C@H](O)CF AT22540 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.1 COC[C@@H](F)CN P20360 [0,1,0,0,0,0|2,1,0]=4 19 B6R0.1 COC[C@@H](N)CO 91278 [0,1,0,0,0,0|2,1,0]=4 20 B6R0.1 COC[C@@H](N)CO D75105 [0,1,0,0,0,0|2,1,0]=4 21 B6R0.1 COC[C@@H](N)CO D75106 [0,1,0,0,0,0|2,1,0]=4 22 B6R0.4 CC#CC[C@H](C)N AT21841 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.4 CC(=O)CCCN C77428 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.4 CCNCC(F)F AT23781 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.4 CNCCC(F)F AT22541 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.4 NCCSC(F)F AT25569 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.6 COCOCCN AC9200 [0,1,0,0,0,0|1,2,0]=4 28 B6R0.6 CSCCN=C=O AT25543 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.6 Cl[13CH2][13CH2]N[13CH2][13CH2]Cl AT23538 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.6 NCCOCCS AT12749 [0,1,0,0,0,0|2,1,0]=4 31 B6R0.6 NNCCCCO AB9420 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.6 O=CNCCCF AT22548 [0,1,0,0,0,0|3,0,0]=4 33 B6R1.2 Br[C@H]1CCNC1 D87521 [0,0,0,1,0,0|3,0,0]=4 34 B6R1.2 CC1=NNCC1 D76466 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.2 CN1CC=CC1 A10777 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.3 NCCN1CC1 P18027 [0,0,0,1,0,0|3,0,0]=4 37 B6R1.3 OCC[C@H]1CO1 D72936 [0,0,0,1,0,0|2,1,0]=4 38 B6R1.3 OCC[C@H]1CO1 D74321 [0,0,0,1,0,0|2,1,0]=4 39 B6R1.4 CC1CCC1N AT10478 [0,0,0,1,0,0|3,0,0]=4 40 B6R1.4 CC1CCC1O AC8042 [0,0,0,1,0,0|3,0,0]=4 41 B6R1.4 CC1CNC1C E72893 [0,0,0,1,0,0|2,0,0]=3 42 B6R1.4 C[C@@H]1NC[C@@H]1F AT24718 [0,0,0,1,0,0|3,0,0]=4 43 B6R1.4 C[C@@H]1NC[C@@H]1F AT24722 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.4 C[C@H]1NC[C@@H]1F AT24723 [0,0,0,1,0,0|3,0,0]=4 45 B6R1.4 C[C@H]1NC[C@@H]1F D79132 [0,0,0,1,0,0|3,0,0]=4 46 B6R1.6 CNC1COC1 20485 [0,0,0,1,0,0|2,1,0]=4 47 B6R1.6 CNC1CSC1 AT25559 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.6 FC[C@H]1CCN1 P12566 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.6 FC[C@H]1CCN1 P13956 [0,0,0,1,0,0|3,0,0]=4 50 B6R1.6 FC[C@H]1CCN1 P14908 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.6 NOC1CCC1 97654 [0,0,0,1,0,0|2,1,0]=4 52 B6R1.6 O=CC1CSC1 AT24592 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.6 OCC1CSC1 P14098 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.8 CC1CC1CN E73335 [0,0,0,1,0,0|3,0,0]=4 55 B6R1.8 COC1CC1N 92032 [0,0,0,1,0,0|2,1,0]=4 56 B6R1.8 CO[C@H]1C[C@@H]1N AT11447 [0,0,0,1,0,0|2,1,0]=4 57 B6R1.8 CO[C@H]1C[C@@H]1N D74325 [0,0,0,1,0,0|2,1,0]=4 58 B6R1.8 C[C@H]1C[C@@H]1C=O AT23548 [0,0,0,1,0,0|3,0,0]=4 59 B6R1.8 C[C@H]1C[C@@H]1CBr 55227 [0,0,0,1,0,0|3,0,0]=4 60 B6R1.8 C[C@H]1C[C@@H]1CBr AT23414 [0,0,0,1,0,0|3,0,0]=4 61 B6R1.8 C[C@H]1C[C@@H]1CBr AT23416 [0,0,0,1,0,0|3,0,0]=4 62 B6R1.8 C[C@H]1C[C@@H]1CN 73150 [0,0,0,1,0,0|3,0,0]=4 63 B6R1.8 C[C@H]1C[C@@H]1CO AT23417 [0,0,0,1,0,0|3,0,0]=4 64 B6R1.8 C[C@H]1C[C@@H]1CO AT23419 [0,0,0,1,0,0|3,0,0]=4 65 B3R0.1 N[13CH2][13CH2]N D98346 [2,0,0,0,0,0|2,0,0]=4 66 B3R0.1 [2H]CCI D99684 [2,0,0,0,0,0|2,0,0]=4 67 B3R0.1 [2H]CCO D98012 [2,0,0,0,0,0|1,1,0]=4 68 B5R0.1 CCSC(=S)[S-] 78627 [1,1,0,0,0,0|2,0,0]=4 69 B5R0.1 CNC[C@H](C)O C77457 [1,1,0,0,0,0|1,0,0]=3 70 B5R0.1 C[C@H](F)CCN D76461 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.1 C[C@H](N)CCF AT11794 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.1 C[C@H](O)CCN D77178 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.1 C[S@](=O)CCN AT24515 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.3 CC[C@H](F)CN D76437 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.3 CC[C@H](N)CF AC5314 [1,1,0,0,0,0|2,0,0]=4 76 B5R0.3 CC[C@H](O)CN D72871 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.3 C\C=C(/C)CCCC T72329 [0,2,0,0,0,0|2,0,0]=4 78 B7R0.7 CCC[C@H](O)COC D77523 [0,2,0,0,0,0|1,1,0]=4 79 B7R0.7 COCC(Cl)COC D74903 [0,2,0,0,0,0|1,1,0]=4 80 B7R0.4 C[S@](=O)CCCCN AT23964 [0,2,0,0,0,0|1,0,1]=4 81 B7R0.1 CCCNNCCC D79943 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.1 NCCCNCCS W12622 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.1 NCCC\C=C\CO AT22200 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.1 NCCSSCCO C70186 [0,2,0,0,0,0|1,0,0]=3 85 B5R1.2 C[C@H]1CCN1 S11047 [1,0,0,1,0,0|2,0,0]=4 86 B5R1.2 SC1CCC1 AT12396 [1,0,0,1,0,0|1,0,0]=3 87 B5R1.2 [18F]C1CNC1 AT24717 [1,0,0,1,0,0|2,0,0]=4 88 B5R1.4 CC1CC1Br AT22556 [1,0,0,1,0,0|2,0,0]=4 89 B5R1.4 C[C@@H]1C[C@@H]1N AT26073 [1,0,0,1,0,0|2,0,0]=4 90 B5R1.4 C[C@H]1C[C@@H]1N AT11455 [1,0,0,1,0,0|2,0,0]=4 91 B5R1.4 C[C@H]1C[C@@H]1N AT11456 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.1 CC[C@H]1CCCN1 RB4030 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.1 FC[C@H]1CCCN1 P12557 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.1 FC[C@H]1CCNC1 AT23179 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13012 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.2 C[C@H]1C[C@H](O)CN1 F13847 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.3 C[C@H]1CNCCS1 AT10752 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.3 C[C@H]1CSCCN1 AT10757 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.3 N[C@@H]1CC=CCC1 AT10535 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.3 N[C@@H]1CC=CCC1 AT10537 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.3 N[C@@H]1CCCCN1 F13375 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.4 CC1CNCC1N AT23640 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.4 CC1NCCC1O 94946 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.4 CC1NCCC1O AT22499 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [0,1,0,1,0,0|1,1,0]=4 109 B7R1.4 C[C@@H]1NCC[C@@H]1O AT22514 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.4 C[C@@H]1NCC[C@@H]1O C90248 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.4 C[C@H]1CNC[C@@H]1N AT23637 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.4 C[C@H]1CNC[C@@H]1N AT23638 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.4 C[C@H]1CNC[C@@H]1N AT23639 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.4 C[C@H]1CNC[C@@H]1O P12669 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.4 C[C@H]1COC[C@@H]1N D72913 [0,1,0,1,0,0|1,1,0]=4 116 B7R1.4 C[C@H]1NCC[C@@H]1O AT23994 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.4 N[C@@H]1CSC[C@@H]1O D72825 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.4 N[C@H]1CSC[C@@H]1O D72826 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.5 CCC[C@@H]1ON1C C11697 [0,1,0,1,0,0|1,1,0]=4 120 B7R1.5 CCO[C@H]1C[C@@H]1N AT11448 [0,1,0,1,0,0|1,1,0]=4 121 B7R1.6 NCCC1CNC1 AC9109 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.8 COC1CCC1N AT20027 [0,1,0,1,0,0|1,1,0]=4 123 B7R1.8 CO[C@H]1CC[C@@H]1N AT20051 [0,1,0,1,0,0|1,1,0]=4 124 B7R1.8 CO[C@H]1CC[C@@H]1N AT20055 [0,1,0,1,0,0|1,1,0]=4 125 B7R1.8 CO[C@H]1CC[C@H]1N AT20049 [0,1,0,1,0,0|1,1,0]=4 126 B7R1.8 CO[C@H]1CC[C@H]1N AT20056 [0,1,0,1,0,0|1,1,0]=4 127 B7R1.8 CO[C@H]1CC[C@H]1N AT20057 [0,1,0,1,0,0|1,1,0]=4 128 B7R1.10 CN[C@H]1C[C@H](O)C1 P15672 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.10 CO[C@H]1C[C@@H](N)C1 P15668 [0,1,0,1,0,0|1,1,0]=4 130 B7R1.10 CO[C@H]1C[C@H](N)C1 P12378 [0,1,0,1,0,0|1,1,0]=4 131 B7R1.10 CSC1CC(=O)C1 AT20150 [0,1,0,1,0,0|1,0,1]=4 132 B7R1.10 CSC1CC(O)C1 AT20178 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.10 CS[C@H]1C[C@@H](O)C1 AT20156 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.10 CS[C@H]1C[C@H](N)C1 AT20163 [0,1,0,1,0,0|1,0,0]=3 135 B7R1.21 COCC1(N)CC1 AT11799 [0,1,0,1,0,0|1,1,0]=4 136 B7R1.21 COCC1(O)CC1 D72925 [0,1,0,1,0,0|1,1,0]=4 137 B7R1.27 CC[C@]1(C)ON1C C11698 [0,1,0,1,0,0|1,1,0]=4 138 B7R1.7 OCCOC1CC1 AT11518 [0,1,0,1,0,0|1,1,0]=4 139 B7R1.14 C[C@]1(F)CCNC1 P12925 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.14 C[C@]1(N)CCNC1 F13099 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.14 C[C@]1(N)CCNC1 F14416 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.17 CC1(C)SC[C@@H]1N E72936 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.18 C[C@H](N)C1COC1 79834 [0,1,0,1,0,0|1,1,0]=4 144 B7R1.18 C[C@H](N)C1COC1 79837 [0,1,0,1,0,0|1,1,0]=4 145 B7R1.18 C[C@H](O)C1CNC1 E73194 [0,1,0,1,0,0|2,0,0]=4 146 B7R2.13 C1CC2NC2C1 AT21516 [0,0,0,2,0,0|2,0,0]=4 147 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D72941 [0,0,0,2,0,0|2,0,0]=4 148 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D75836 [0,0,0,2,0,0|2,0,0]=4 149 B7R2.11 C1NC2CC1C2 P12110 [0,0,0,2,0,0|2,0,0]=4 150 B7R2.16 C1CC2(CC2)N1 AT24287 [0,0,0,2,0,0|2,0,0]=4