0 B5R0.2 C#CCCOC AC9661 [0,0,0,0,0,0|1,1,2]=4 1 B5R0.2 C#CCNCC AT19974 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 CC#CC#CC T72220 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 CC#CCNC AT19972 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.2 CCCC#CI T71796 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.2 CCCCNN AC6660 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 CCCCNO AT14838 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 CCCNOC AT24927 [0,0,0,0,0,0|1,1,0]=2 8 B5R0.2 CNCCSC D87904 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.2 COCCNN AC7088 [0,0,0,0,0,0|3,1,0]=4 10 B5R0.2 CONCCO AT24903 [0,0,0,0,0,0|2,1,0]=3 11 B5R0.2 C\C=C\CCN AT22492 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 N#CCCCN N13271 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.2 NCCCNN W10659 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.2 NCCCNO AT14843 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.2 NNCCCO W10664 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.2 NOCCCO P16653 [0,0,0,0,0,0|3,1,0]=4 17 B5R0.2 [2H]OCCCC D98922 [0,0,0,0,0,0|2,1,0]=3 18 B4R0.2 C#CCSC AT19944 [1,0,0,0,0,0|0,0,2]=3 19 B4R0.2 C=C=CCC T72673 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.2 C=CCCI C77576 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 C=CCCN AT25938 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 CC#CCN AT19966 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 CCNCC T70517 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 CC\C=C\Br F11593 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 CNCCS AT25552 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.2 COCCS AT13674 [1,0,0,0,0,0|1,1,0]=3 27 B4R0.2 NCCCI AC8002 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.2 NCCCN T70141 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.2 NCCCN T70477 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.2 NCCNO AT14839 [1,0,0,0,0,0|2,1,0]=4 31 B4R0.2 [2H]OCCC D99167 [1,0,0,0,0,0|1,1,0]=3 32 B6R0.1 C=C[C@@H](C)CCC T72328 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.1 CCC[C@H](C)CBr S11885 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.1 CCNC(=O)OC C16084 [0,1,0,0,0,0|2,1,0]=4 35 B6R0.1 CCOC(=S)SC AC9840 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.1 CC[C@H](N)CCO AT22371 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.1 CC[C@H](N)COC D87652 [0,1,0,0,0,0|1,1,0]=3 38 B6R0.1 CC[C@H](N)COC D87653 [0,1,0,0,0,0|1,1,0]=3 39 B6R0.1 CC[C@H](O)CC#N A50899 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.1 CNC[C@@H](C)CN T70175 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.1 CNC[C@H](O)CO 56523 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.1 CNC[C@H](O)CO 56531 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.1 COCC(=O)OC F53343 [0,1,0,0,0,0|2,1,0]=4 44 B6R0.1 COC[C@@H](C)CO O10176 [0,1,0,0,0,0|2,1,0]=4 45 B6R0.1 COC[C@@H](N)CO 91276 [0,1,0,0,0,0|2,1,0]=4 46 B6R0.1 COC[C@@H](N)CO 91277 [0,1,0,0,0,0|2,1,0]=4 47 B6R0.1 COC[C@@H](N)CO C90595 [0,1,0,0,0,0|2,1,0]=4 48 B6R0.1 COC[C@@H](O)CN 94766 [0,1,0,0,0,0|2,1,0]=4 49 B6R0.1 COC[C@@H](O)CN 98632 [0,1,0,0,0,0|2,1,0]=4 50 B6R0.1 CSC[C@@H](N)CO 96818 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.1 CSC[C@@H](N)CO 96819 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.4 C=C(C)CCCO 71061 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.4 CC(C)CCNN AC3937 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.4 CC(C)OCCS AT13760 [0,1,0,0,0,0|2,1,0]=4 55 B6R0.4 CCCNC(=S)[S-] I11294 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.4 CCNC[C@H](C)O 91070 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.4 CCONC(C)=O AT24904 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.4 COCOC(C)=O D72003 [0,1,0,0,0,0|2,1,0]=4 59 B6R0.4 C[C@H](N)CCCO AT20758 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.4 C[C@H](O)CCC#N F51113 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.4 C[C@H](O)CCCBr A11305 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.4 C[C@H](O)CCCN AT20756 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.4 [2H][C@H](Br)CCCC D99408 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.6 C#CCCCCN D76652 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.6 C#CCSCCN AT19952 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.6 C#CCSCCO AT19948 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.6 C=CCSCCN AT25545 [0,1,0,0,0,0|1,0,2]=4 68 B6R0.6 CCNCCSC AT25567 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.6 CCOCCNN AC6859 [0,1,0,0,0,0|2,1,0]=4 70 B6R0.6 CCOCCON AT14482 [0,1,0,0,0,0|2,1,0]=4 71 B6R0.6 CNCCCC#N AB10346 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.6 CNCCCOC F15969 [0,1,0,0,0,0|1,1,0]=3 73 B6R0.6 COCCCC#N C77649 [0,1,0,0,0,0|1,1,1]=4 74 B6R0.6 COCCCCN C77605 [0,1,0,0,0,0|1,1,0]=3 75 B6R0.6 COCCCON AT14486 [0,1,0,0,0,0|2,1,0]=4 76 B6R0.6 COCCN=C=O D87777 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.6 CSCCN=C=S AT25553 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.6 C\C=C/CCCCl T71143 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.6 ClCCNCCCl AB10357 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.6 N#CCCCCN AC2033 [0,1,0,0,0,0|3,0,0]=4 81 B6R0.6 NCCOCCF AT12496 [0,1,0,0,0,0|2,1,0]=4 82 B6R0.6 NCCSCCO AT25550 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.6 O=CNCCCO AC9004 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.6 OCCNCCO AB10274 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.6 OCCOCCI C77657 [0,1,0,0,0,0|2,1,0]=4 86 B6R0.6 [2H]OCCCCC D99155 [0,1,0,0,0,0|2,1,0]=4 87 B6R0.6 [N-]=[N+]=NCCCN F19638 [0,1,0,0,0,0|3,0,0]=4 88 B6R1.1 C1CCNCC1 S11730 [0,0,0,1,0,0|2,0,0]=3 89 B6R1.1 C1CCONC1 P10408 [0,0,0,1,0,0|1,1,0]=3 90 B6R1.1 C1CNCOC1 C72764 [0,0,0,1,0,0|2,1,0]=4 91 B6R1.2 C[C@H]1CCNC1 71655 [0,0,0,1,0,0|2,0,0]=3 92 B6R1.2 FC1CCCC1 T71800 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.2 F[C@H]1CCNC1 FD10498 [0,0,0,1,0,0|3,0,0]=4 94 B6R1.2 O[C@H]1CNOC1 AT14847 [0,0,0,1,0,0|2,1,0]=4 95 B6R1.3 O=C=NC1CC1 AC8066 [0,0,0,1,0,0|3,0,0]=4 96 B6R1.4 CC1CCC1N W15200 [0,0,0,1,0,0|3,0,0]=4 97 B6R1.4 CC1NCC1O P13360 [0,0,0,1,0,0|3,0,0]=4 98 B6R1.4 CC1OCC1N P20429 [0,0,0,1,0,0|2,1,0]=4 99 B6R1.4 C[C@H]1NC[C@@H]1O AT24512 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.6 CNC1COC1 F51705 [0,0,0,1,0,0|2,1,0]=4 101 B6R1.6 ClC[C@H]1CCO1 32069 [0,0,0,1,0,0|2,1,0]=4 102 B6R1.6 N#CC1CSC1 56781 [0,0,0,1,0,0|2,0,1]=4 103 B6R1.6 NOC1CCC1 97653 [0,0,0,1,0,0|2,1,0]=4 104 B6R1.8 CC1CC1C#N C77546 [0,0,0,1,0,0|3,0,0]=4 105 B6R1.8 CC1CC1CBr P20770 [0,0,0,1,0,0|3,0,0]=4 106 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [0,0,0,1,0,0|3,0,0]=4 107 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [0,0,0,1,0,0|3,0,0]=4 108 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [0,0,0,1,0,0|3,0,0]=4 109 B3R0.1 CCCN T71779 [2,0,0,0,0,0|1,0,0]=3 110 B3R0.1 NCCI AC7986 [2,0,0,0,0,0|2,0,0]=4 111 B3R0.1 [2H]CCBr D98237 [2,0,0,0,0,0|2,0,0]=4 112 B3R0.1 [2H]OCC D99756 [2,0,0,0,0,0|1,1,0]=4 113 B5R0.1 C#CC[C@H](C)N AT12968 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.1 C=C(C)CCC D91296 [1,1,0,0,0,0|1,0,0]=3 115 B5R0.1 C=CC[C@H](C)N AT12969 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.1 CC(=O)CCBr D82681 [1,1,0,0,0,0|2,0,0]=4 117 B5R0.1 CC(C)CNN AR2531 [1,1,0,0,0,0|2,0,0]=4 118 B5R0.1 CCC[C@H](C)N N10856 [1,1,0,0,0,0|1,0,0]=3 119 B5R0.1 CCC[C@H](C)N N15476 [1,1,0,0,0,0|1,0,0]=3 120 B5R0.1 CN(C)CCBr F20843 [1,1,0,0,0,0|2,0,0]=4 121 B5R0.1 CNCC(C)=O 72642 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.1 CONC(C)C AT24926 [1,1,0,0,0,0|1,1,0]=4 123 B5R0.1 CSC[C@H](C)N AT10784 [1,1,0,0,0,0|0,0,0]=2 124 B5R0.1 C[C@H](N)CC#N N14213 [1,1,0,0,0,0|2,0,0]=4 125 B5R0.1 C[C@H](N)CCO 83613 [1,1,0,0,0,0|1,1,0]=4 126 B5R0.1 C[C@H](N)CCO 83649 [1,1,0,0,0,0|1,1,0]=4 127 B5R0.1 C[C@H](O)CCN D77181 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.1 C[C@H](O)CCN D77194 [1,1,0,0,0,0|2,0,0]=4 129 B5R0.1 C[C@H](O)CNN W10671 [1,1,0,0,0,0|2,0,0]=4 130 B5R0.1 C[C@H](O)CON AT14481 [1,1,0,0,0,0|1,1,0]=4 131 B5R0.1 C[S@](=O)CCN AT24516 [1,1,0,0,0,0|1,0,1]=4 132 B5R0.1 C[S@](=O)CCN AT24517 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.1 C[S@](=O)CCO E72546 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.1 C\C=C/C(C)C T72834 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.3 C#C[C@@H](C)CC W11641 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.3 C=C(CC)CC D90428 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.3 C=C(SC)SC T70983 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.3 CCP(Cl)CC A12755 [1,1,0,0,0,0|2,0,0]=4 139 B5R0.3 CC[C@H](C)CBr D86395 [1,1,0,0,0,0|2,0,0]=4 140 B5R0.3 CC[C@H](C)CN 88661 [1,1,0,0,0,0|2,0,0]=4 141 B5R0.3 CC[C@H](C)CO 88660 [1,1,0,0,0,0|1,1,0]=4 142 B5R0.3 CC[C@H](C)NN AB8698 [1,1,0,0,0,0|2,0,0]=4 143 B5R0.3 CC[C@H](C)ON AT14504 [1,1,0,0,0,0|1,1,0]=4 144 B5R0.3 CC[C@H](N)C#N AT12684 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.3 CC[C@H](N)C#N AT12685 [1,1,0,0,0,0|2,0,0]=4 146 B5R0.3 CC[C@H](N)C#N N14345 [1,1,0,0,0,0|2,0,0]=4 147 B5R0.3 CO[C@@H](C)CN 91000 [1,1,0,0,0,0|1,1,0]=4 148 B5R0.3 [2H]N(CC)CC D98468 [1,1,0,0,0,0|2,0,0]=4 149 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,2,0,0,0,0|2,0,0]=4 150 B7R0.2 COC(=O)C[C@H](C)N N13255 [0,2,0,0,0,0|1,1,0]=4 151 B7R0.3 CC#CC[C@@H](O)CC T72024 [0,2,0,0,0,0|2,0,0]=4 152 B7R0.3 CC#CC[C@H](N)CO D75108 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.3 CCCC[C@H](N)CO D75114 [0,2,0,0,0,0|2,0,0]=4 154 B7R0.3 CCCC[C@H](N)CO H10583 [0,2,0,0,0,0|2,0,0]=4 155 B7R0.3 CCCNC(=O)CN C78397 [0,2,0,0,0,0|2,0,0]=4 156 B7R0.3 CCSC[C@H](C)NN D88052 [0,2,0,0,0,0|1,0,0]=3 157 B7R0.3 COC(=N)CCCCl C76486 [0,2,0,0,0,0|1,1,0]=4 158 B7R0.3 COC(=O)CCCN 32601 [0,2,0,0,0,0|1,1,0]=4 159 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.5 COC[C@H](N)C(C)C 71787 [0,2,0,0,0,0|1,1,0]=4 161 B7R0.7 CCC[C@H](N)CCO N15481 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.7 CCC[C@H](N)CCO N15482 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.7 CCS[C@@H](C)CC=O D86335 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.7 COCC(Br)COC D74902 [0,2,0,0,0,0|1,1,0]=4 165 B7R0.7 COCC(N)COC AT12494 [0,2,0,0,0,0|1,1,0]=4 166 B7R0.11 CCCC(C)(C)CC T71064 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.11 CCOC(C)(C)CC D78478 [0,2,0,0,0,0|1,1,0]=4 168 B7R0.4 C=C(C)CC\C=C\C T72820 [0,2,0,0,0,0|2,0,0]=4 169 B7R0.4 CC(=O)NCCCN AR2174 [0,2,0,0,0,0|2,0,0]=4 170 B7R0.4 CC(C)CSCCN AT25570 [0,2,0,0,0,0|1,0,0]=3 171 B7R0.4 CN(C)CCCCN V10255 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.4 CNCCNC(C)=O C77870 [0,2,0,0,0,0|2,0,0]=4 173 B7R0.4 C[S@](=O)CCCCN 13216 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.4 NCCSCC(F)F AT25560 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.6 CC(C)CC[C@H](C)N C11213 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.6 CC(C)OC[C@H](C)O T72421 [0,2,0,0,0,0|1,1,0]=4 177 B7R0.8 CC(C)(C)SCCBr AT13957 [0,2,0,0,0,0|2,0,0]=4 178 B7R0.8 CC(C)(C)SCCI AT13958 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.8 CC(C)(C)SCCO AT13948 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.8 CC(C)(C)SCCS AT13955 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.8 CCCC[Si](C)(Cl)Cl C15141 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.8 CCCNC(C)(C)C AT13992 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.8 COCCC(C)(C)N D75145 [0,2,0,0,0,0|1,1,0]=4 184 B7R0.8 CONCC(C)(C)C AT24905 [0,2,0,0,0,0|1,1,0]=4 185 B7R0.8 CS(=O)(=O)SCCO AT19139 [0,2,0,0,0,0|1,0,1]=4 186 B7R0.1 C=CC\C=C\CCC T72633 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.1 CC#CCCC#CC T72920 [0,2,0,0,0,0|2,0,0]=4 188 B7R0.1 CNCCCCCO AT11157 [0,2,0,0,0,0|2,0,0]=4 189 B7R0.1 CNCCCCCO AT11158 [0,2,0,0,0,0|2,0,0]=4 190 B7R0.1 COCCNCCO AT12488 [0,2,0,0,0,0|1,1,0]=4 191 B7R0.1 COCCOCCN F50617 [0,2,0,0,0,0|1,1,0]=4 192 B7R0.1 COCCOCCS AT10124 [0,2,0,0,0,0|1,1,0]=4 193 B7R0.1 C\C=C/CCCCC T72919 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.1 ClCCSSCCCl AT21151 [0,2,0,0,0,0|1,0,0]=3 195 B7R0.1 NCCSCCCO AT25557 [0,2,0,0,0,0|1,0,0]=3 196 B7R0.1 NCCSSCCN AT21144 [0,2,0,0,0,0|1,0,0]=3 197 B7R0.1 OCCCCCCI AT14272 [0,2,0,0,0,0|2,0,0]=4 198 B7R0.1 OCCCNCCO FD7298 [0,2,0,0,0,0|2,0,0]=4 199 B5R1.1 C1CNOC1 F14141 [1,0,0,1,0,0|1,1,0]=4 200 B5R1.2 C[C@H]1CCN1 71554 [1,0,0,1,0,0|2,0,0]=4 201 B5R1.2 FC1CNC1 31039 [1,0,0,1,0,0|2,0,0]=4 202 B5R1.2 IC1CNC1 P11673 [1,0,0,1,0,0|2,0,0]=4 203 B5R1.2 NC1CNC1 AC2715 [1,0,0,1,0,0|2,0,0]=4 204 B5R1.3 C=CC1CC1 59738 [1,0,0,1,0,0|1,0,1]=4 205 B5R1.3 IC[C@H]1CO1 CS1242 [1,0,0,1,0,0|1,1,0]=4 206 B5R1.3 NNC1CC1 P19257 [1,0,0,1,0,0|2,0,0]=4 207 B5R1.3 SCC1CC1 AT12991 [1,0,0,1,0,0|1,0,0]=3 208 B5R1.4 C[C@H]1C[C@@H]1N 73029 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.1 CCC1CCCC1 T71889 [0,1,0,1,0,0|2,0,0]=4 210 B7R1.1 CC[C@H]1CCCN1 N12693 [0,1,0,1,0,0|2,0,0]=4 211 B7R1.1 CN[C@H]1CCNC1 C14692 [0,1,0,1,0,0|2,0,0]=4 212 B7R1.1 CN[C@H]1CCOC1 P13110 [0,1,0,1,0,0|1,1,0]=4 213 B7R1.1 CN[C@H]1CCOC1 P13111 [0,1,0,1,0,0|1,1,0]=4 214 B7R1.1 CN[C@H]1CCSC1 D72867 [0,1,0,1,0,0|1,0,0]=3 215 B7R1.1 ClC[C@H]1CCCN1 87778 [0,1,0,1,0,0|2,0,0]=4 216 B7R1.1 ClC[C@H]1CCCN1 D76474 [0,1,0,1,0,0|2,0,0]=4 217 B7R1.1 ClC[C@H]1CCOC1 N12624 [0,1,0,1,0,0|1,1,0]=4 218 B7R1.1 FC[C@H]1CCCN1 AT24807 [0,1,0,1,0,0|2,0,0]=4 219 B7R1.1 FC[C@H]1CCCN1 P12668 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.1 NC[C@H]1CCCN1 C16283 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.1 NC[C@H]1CCCN1 FD10638 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.1 NC[C@H]1CCCN1 S10708 [0,1,0,1,0,0|2,0,0]=4 223 B7R1.1 NC[C@H]1CCOC1 68889 [0,1,0,1,0,0|1,1,0]=4 224 B7R1.1 OC[C@H]1CCCN1 11147 [0,1,0,1,0,0|2,0,0]=4 225 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,1,0,1,0,0|1,0,0]=3 226 B7R1.2 CC1CC(O)CN1 AT24888 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.2 CC1CNC(C)C1 83923 [0,1,0,1,0,0|2,0,0]=4 228 B7R1.2 CN1CC[C@H](N)C1 56133 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.2 CN1CC[C@H](N)C1 AT11189 [0,1,0,1,0,0|2,0,0]=4 230 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,1,0,1,0,0|1,1,0]=4 232 B7R1.2 C[C@@H]1C[C@H](F)CN1 73102 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.3 Br[C@H]1CCCNC1 C14028 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.3 CC1=CCOCC1 F17726 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.3 C[C@H]1CCCCN1 N14212 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.3 C[C@H]1CCCNC1 F14484 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.3 C[C@H]1CNCCS1 AT10751 [0,1,0,1,0,0|1,0,0]=3 239 B7R1.3 C[C@H]1CNCCS1 AT25278 [0,1,0,1,0,0|1,0,0]=3 240 B7R1.3 C[C@H]1CSCCN1 AT10756 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.3 C[C@H]1CSCCN1 AT10759 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.3 ClC1=CCCCC1 FD10699 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.3 N[C@H]1CCCOC1 F31015 [0,1,0,1,0,0|1,1,0]=4 246 B7R1.3 N[C@H]1CCCOC1 P11042 [0,1,0,1,0,0|1,1,0]=4 247 B7R1.3 S=C1CCCCC1 N16924 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.4 CC1CNCC1O 72148 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.4 CC1CNCC1O AT22587 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.4 C[C@@H]1CNC[C@@H]1N AT23641 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.4 C[C@@H]1CNC[C@@H]1N F13020 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.4 C[C@@H]1CNC[C@@H]1N F13021 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.6 CCNC1COC1 F51700 [0,1,0,1,0,0|1,1,0]=4 255 B7R1.6 ICCC1COC1 AC4775 [0,1,0,1,0,0|1,1,0]=4 256 B7R1.6 NCCN1CCC1 F30399 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.6 OCC[C@H]1CCN1 D76473 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.6 OCC[C@H]1CCN1 F50335 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.8 CN1CC[C@@H]1CN P13167 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.8 CN1CC[C@@H]1CN P13169 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.8 CN1CC[C@@H]1CN P15774 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.8 CN1CC[C@@H]1CN P15856 [0,1,0,1,0,0|2,0,0]=4 263 B7R1.10 CCC1CC(=O)C1 P12513 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.10 CNC1CC(O)C1 AT20141 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.10 COC1CC(N)C1 P12017 [0,1,0,1,0,0|1,1,0]=4 266 B7R1.10 CSC1CC(N)C1 AT20164 [0,1,0,1,0,0|1,0,0]=3 267 B7R1.21 CCCC1(O)CC1 AT11368 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.21 CCOC1(Br)CC1 F53374 [0,1,0,1,0,0|1,1,0]=4 269 B7R1.21 CCOC1(N)CC1 AT19095 [0,1,0,1,0,0|1,1,0]=4 270 B7R1.22 CCC(=O)C1CC1 P11281 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.25 CC1(CO)CSC1 D75149 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.25 CCC1(N)CNC1 P11231 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.25 CCC1(N)COC1 CS2262 [0,1,0,1,0,0|1,1,0]=4 274 B7R1.7 NCCOC1CC1 AT11523 [0,1,0,1,0,0|1,1,0]=4 275 B7R1.7 OCCNC1CC1 AT25786 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.14 CC1(N)CCCC1 F50575 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.14 C[C@]1(N)CCNC1 97388 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.14 C[C@]1(N)CCOC1 AT12753 [0,1,0,1,0,0|1,1,0]=4 279 B7R1.14 C[C@]1(O)CNOC1 A50949 [0,1,0,1,0,0|1,1,0]=4 280 B7R1.14 C[C@]1(O)CNOC1 AT14854 [0,1,0,1,0,0|1,1,0]=4 281 B7R1.18 C[C@H](N)C1CCC1 32380 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.18 C[C@H](N)C1CCC1 93059 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.18 C[C@H](N)C1CCC1 93061 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.20 CC(=O)CC1CC1 N12620 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.20 CC(C)NC1CC1 AT12484 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.24 C1=CCCNCC1 C13802 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.24 C1CCCNCC1 D77224 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.24 C1CCNNCC1 AB9014 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.24 C1CNCCSC1 W16417 [0,1,0,1,0,0|1,0,0]=3 290 B7R2.13 C1CC2CC2N1 P10693 [0,0,0,2,0,0|2,0,0]=4