0 B5R0.5 CC(=O)[C@H](C)N 91522 [0,0,0,0,0,0|1,1,1]=3 1 B5R0.5 CC(C)C(=O)O A11457 [0,0,0,0,0,0|1,1,1]=3 2 B5R0.5 CC(C)C(I)I AC2721 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 CC(C)S(=O)[O-] AT25017 [0,0,0,0,0,0|2,1,0]=3 4 B5R0.5 CC(C)[13C](=O)[O-] D99296 [0,0,0,0,0,0|1,1,1]=3 5 B5R0.5 CC(C)[C@H](C)Br AT23713 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.5 CC(C)[C@H](C)N A12293 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.5 CC(C)[S@](=O)[O-] C11403 [0,0,0,0,0,0|2,1,0]=3 8 B5R0.5 CC(N)C(C)N AT12970 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.5 C[C@H](F)C(=O)O 36890 [0,0,0,0,0,0|2,1,1]=4 11 B5R0.5 C[C@H](N)C(N)=O FD21067 [0,0,0,0,0,0|2,1,1]=4 12 B5R0.5 C[C@H](O)C(=N)N F21307 [0,0,0,0,0,0|2,1,1]=4 13 B5R0.5 C[C@H](O)[C@@H](C)N N16999 [0,0,0,0,0,0|1,1,0]=2 14 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [0,0,0,0,0,0|2,1,1]=4 15 B5R0.5 [2H]C(=O)N(C)C D99052 [0,0,0,0,0,0|2,1,1]=4 16 B5R0.5 [2H]C([2H])[C@H]([2H])Br D98920 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.5 [2H]N(C)C(C)=O D99692 [0,0,0,0,0,0|2,1,1]=4 18 B4R0.1 C=C=C(C)C T72680 [1,0,0,0,0,0|0,0,3]=4 19 B4R0.1 CC(=O)CN D87844 [1,0,0,0,0,0|1,1,1]=4 20 B4R0.1 CC(C)CN T72053 [1,0,0,0,0,0|1,0,0]=2 21 B4R0.1 CC[13C](=O)O D99417 [1,0,0,0,0,0|1,1,1]=4 22 B4R0.1 CC[C@H](C)N 90231 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.1 CC[C@H](C)N N12286 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 CC[C@H](C)N N12342 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 C[C@H](O)C#N 12324 [1,0,0,0,0,0|1,1,1]=4 26 B4R0.1 C[C@H](S)CO AC8877 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 C[C@H](S)CS T72965 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 [2H]OC(C)C D98571 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 [2H][C@H](Br)CC D99041 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.3 C=CC(=O)C(C)C C77506 [0,1,0,0,0,0|0,1,2]=4 31 B6R0.3 C=C[C@H](C)[C@H](C)O D85605 [0,1,0,0,0,0|0,1,1]=3 32 B6R0.3 C=C[C@H](C)[C@H](C)O D85606 [0,1,0,0,0,0|0,1,1]=3 33 B6R0.3 CC(C)[C@@H](O)CN V10285 [0,1,0,0,0,0|0,1,0]=2 34 B6R0.3 CC(C)[C@H](Br)C=O AT22275 [0,1,0,0,0,0|1,0,1]=3 35 B6R0.3 CC(C)\C(Cl)=N\O D77552 [0,1,0,0,0,0|1,1,1]=4 36 B6R0.3 CC(O)C(N)CO D75101 [0,1,0,0,0,0|1,1,0]=3 37 B6R0.3 CCC(C)C(C)N 78513 [0,1,0,0,0,0|1,0,0]=2 38 B6R0.3 CCC(N)C(C)O N14662 [0,1,0,0,0,0|1,1,0]=3 39 B6R0.3 CC[C@H](N)C(C)C 74049 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.3 CC[C@H](S)C(=O)O F11548 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.3 CN(C)C(=O)CS AT25548 [0,1,0,0,0,0|1,1,1]=4 42 B6R0.3 C[C@@H](CN)C(=O)O 32005 [0,1,0,0,0,0|1,1,1]=4 43 B6R0.3 C[C@@H](O)[C@@H](N)CO D75102 [0,1,0,0,0,0|1,1,0]=3 44 B6R0.3 C[C@@H](O)[C@@H](N)CO D75104 [0,1,0,0,0,0|1,1,0]=3 45 B6R0.3 ClC[C@H](Cl)C(Cl)Cl T71984 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.3 NC[C@H](O)C(F)F 70902 [0,1,0,0,0,0|2,1,0]=4 47 B6R0.3 NC[C@H](O)C(F)F AC1730 [0,1,0,0,0,0|2,1,0]=4 48 B6R0.3 OC[C@H](O)C(F)F AT21960 [0,1,0,0,0,0|2,1,0]=4 49 B6R0.7 CC(=O)C(C)(F)F AT12473 [0,1,0,0,0,0|1,1,1]=4 50 B6R0.7 CC(C)(N)C(F)F AT13361 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.7 C[C@H](N)C(C)(C)C F17437 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.7 C[C@H](N)C(C)(C)O 86324 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.7 C[C@H](N)C(C)(C)O 86840 [0,1,0,0,0,0|1,0,0]=2 54 B6R0.7 C[C@H](N)C(C)(C)O AC8680 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.7 C[C@H](N)C(C)(F)F 91520 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.7 C[C@H](O)C(C)(C)N AC8763 [0,1,0,0,0,0|0,1,0]=2 57 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [0,1,0,0,0,0|1,1,1]=4 58 B6R0.7 [2H]C([2H])([2H])[C@H](C)Br D98420 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.7 [2H]C([2H])([2H])[C@H](C)Cl D97933 [0,1,0,0,0,0|3,0,0]=4 60 B6R1.4 CC1CCC1N W15200 [0,0,0,1,0,0|1,0,0]=2 61 B6R1.4 CC1NCC1O P13360 [0,0,0,1,0,0|1,1,0]=3 62 B6R1.4 CC1OCC1N P20429 [0,0,0,1,0,0|1,1,0]=3 63 B6R1.4 C[C@H]1NC[C@@H]1O AT24512 [0,0,0,1,0,0|1,1,0]=3 64 B6R1.4 N[C@H]1CC[C@@H]1O AT10977 [0,0,0,1,0,0|1,1,0]=3 65 B6R1.9 CC1(C)C[C@@H]1N AT11452 [0,0,0,1,0,0|1,0,0]=2 66 B6R1.9 N[C@H]1CC1(F)F AT11294 [0,0,0,1,0,0|3,0,0]=4 67 B6R1.9 N[C@H]1CC1(F)F P11642 [0,0,0,1,0,0|3,0,0]=4 68 B6R1.11 C=C(C)[C@@H]1CO1 S11333 [0,0,0,1,0,0|0,1,2]=4 69 B6R0.2 CC(C)C[C@H](C)N 90224 [0,0,0,0,0,1|1,0,0]=2 70 B6R0.2 C[C@H](N)CN(C)C AT11417 [0,0,0,0,0,1|2,0,0]=3 71 B6R0.2 C[C@H](N)CN(C)C C78207 [0,0,0,0,0,1|2,0,0]=3 72 B6R0.2 C[C@H](N)CN(C)C C78491 [0,0,0,0,0,1|2,0,0]=3 73 B3R0.1 CCCN T71779 [2,0,0,0,0,0|1,0,0]=3 74 B3R0.1 NCCI AC7986 [2,0,0,0,0,0|2,0,0]=4 75 B3R0.1 [2H]CCBr D98237 [2,0,0,0,0,0|2,0,0]=4 76 B3R0.1 [2H]OCC D99756 [2,0,0,0,0,0|2,0,0]=4 77 B3R0.2 CC(C)N T72805 [2,0,0,0,0,0|1,0,0]=3 78 B3R0.2 [2H]N(C)C D98629 [2,0,0,0,0,0|2,0,0]=4 79 B3R0.2 [2H][C@@H](C)I D98644 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.1 C#CC[C@H](C)N AT12968 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.1 C=C(C)CCC D91296 [1,1,0,0,0,0|0,0,2]=4 82 B5R0.1 C=CC[C@H](C)N AT12969 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.1 CC(=O)CCBr D82681 [1,1,0,0,0,0|0,1,1]=4 84 B5R0.1 CC(C)CNN AR2531 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.1 CC(C)\C=N\O D77551 [1,1,0,0,0,0|0,1,1]=4 86 B5R0.1 CCC[C@H](C)N N10856 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.1 CCC[C@H](C)N N15476 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.1 CN(C)CCBr F20843 [1,1,0,0,0,0|1,0,0]=3 89 B5R0.1 CNCC(C)=O 72642 [1,1,0,0,0,0|0,1,1]=4 90 B5R0.1 CONC(C)C AT24926 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.1 CSC[C@H](C)N AT10784 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.1 C[C@H](N)CC#N N14213 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.1 C[C@H](N)CCO 83613 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.1 C[C@H](N)CCO 83649 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.1 C[C@H](O)CCN D77181 [1,1,0,0,0,0|0,1,0]=3 96 B5R0.1 C[C@H](O)CCN D77194 [1,1,0,0,0,0|0,1,0]=3 97 B5R0.1 C[C@H](O)CNN W10671 [1,1,0,0,0,0|1,1,0]=4 98 B5R0.1 C[C@H](O)CON AT14481 [1,1,0,0,0,0|1,1,0]=4 99 B5R0.1 C[S@](=O)CCN AT24516 [1,1,0,0,0,0|1,1,0]=4 100 B5R0.1 C[S@](=O)CCN AT24517 [1,1,0,0,0,0|1,1,0]=4 101 B5R0.1 C[S@](=O)CCO E72546 [1,1,0,0,0,0|1,1,0]=4 102 B5R0.1 C\C=C/C(C)C T72834 [1,1,0,0,0,0|0,0,1]=3 103 B5R0.3 C#C[C@@H](C)CC W11641 [1,1,0,0,0,0|0,0,1]=3 104 B5R0.3 C=C(CC)CBr C77504 [1,1,0,0,0,0|0,0,2]=4 105 B5R0.3 C=C(CC)CC D90428 [1,1,0,0,0,0|0,0,2]=4 106 B5R0.3 CC(CI)CI AC4732 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.3 CCC(=O)CCl AT22640 [1,1,0,0,0,0|0,1,1]=4 108 B5R0.3 CCP(Cl)CC A12755 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.3 CC[C@H](C)CBr D86395 [1,1,0,0,0,0|0,0,0]=2 110 B5R0.3 CC[C@H](C)CN 88661 [1,1,0,0,0,0|0,0,0]=2 111 B5R0.3 CC[C@H](C)CO 88660 [1,1,0,0,0,0|0,0,0]=2 112 B5R0.3 CC[C@H](C)NN AB8698 [1,1,0,0,0,0|1,0,0]=3 113 B5R0.3 CC[C@H](C)ON AT14504 [1,1,0,0,0,0|0,1,0]=3 114 B5R0.3 CC[C@H](N)C#N AT12684 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.3 CC[C@H](N)C#N AT12685 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.3 CC[C@H](N)C#N N14345 [1,1,0,0,0,0|1,0,1]=4 117 B5R0.3 CN[C@@H](C)C#N AT19980 [1,1,0,0,0,0|1,0,1]=4 118 B5R0.3 CO[C@@H](C)CN 91000 [1,1,0,0,0,0|1,0,0]=3 119 B5R0.3 C[C@@H](CO)CBr C16753 [1,1,0,0,0,0|0,1,0]=3 120 B5R0.3 NC[C@H](F)CO AT21904 [1,1,0,0,0,0|1,1,0]=4 121 B5R0.3 OCC(F)CO AT19575 [1,1,0,0,0,0|1,1,0]=4 122 B5R0.3 [2H]N(CC)CC D98468 [1,1,0,0,0,0|2,0,0]=4 123 B5R0.4 CC(C)(C)Cl=O D90846 [1,1,0,0,0,0|1,1,0]=4 124 B5R0.4 CC(C)(N)CF AT13343 [1,1,0,0,0,0|1,0,0]=3 125 B5R0.4 CC(C)(N)CN F16110 [1,1,0,0,0,0|1,0,0]=3 126 B5R0.4 [2H]C(C)(C)CO D98435 [1,1,0,0,0,0|0,1,0]=3 127 B5R0.4 [2H]C([2H])(Br)CC D97995 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.4 [2H]C([2H])(C)CBr D99539 [1,1,0,0,0,0|2,0,0]=4 129 B5R0.4 [2H]C([2H])(C)CI D98693 [1,1,0,0,0,0|2,0,0]=4 130 B5R0.4 [2H]C([2H])(C)CO D98924 [1,1,0,0,0,0|1,1,0]=4 131 B5R0.4 [2H]C([2H])(C)NC D99751 [1,1,0,0,0,0|2,0,0]=4 132 B5R0.4 [2H]C([2H])(I)CC D97861 [1,1,0,0,0,0|2,0,0]=4 133 B5R0.4 [2H]C([2H])(O)CC D99543 [1,1,0,0,0,0|1,1,0]=4 134 B5R0.4 [2H]OC(C)(C)C D99425 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,1,0,0,0,1|1,0,1]=4 136 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [0,1,0,0,0,1|0,1,1]=4 137 B7R0.2 CC(C)CC(=O)CN F50535 [0,1,0,0,0,1|0,1,1]=4 138 B7R0.2 CC(C)C[C@H](N)C#N AC6684 [0,1,0,0,0,1|1,0,1]=4 139 B7R0.2 CC(C)C[C@H](N)C#N AC7744 [0,1,0,0,0,1|1,0,1]=4 140 B7R0.2 CN[C@@H](C)CC(F)F AT22542 [0,1,0,0,0,1|2,0,0]=4 141 B7R0.2 C[C@@H](CN)CN(C)C F12739 [0,1,0,0,0,1|2,0,0]=4 142 B7R0.9 C=C(C)CC(C)(C)C F21333 [0,1,0,0,0,1|1,0,1]=4 143 B7R0.9 CC(=O)CC(C)(C)N F18062 [0,1,0,0,0,1|0,1,1]=4 144 B7R0.9 [2H]C([2H])(O)CC(C)C D99501 [0,1,0,0,0,1|1,1,0]=4 145 B7R0.16 CC(C)C(C)C(C)C T72628 [0,1,0,0,0,1|1,0,0]=3 146 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [0,2,0,0,0,0|0,1,1]=4 147 B7R0.5 CC(C)C(=O)NCO 81303 [0,2,0,0,0,0|0,1,1]=4 148 B7R0.5 CC(C)[C@@H](N)CCO F53378 [0,2,0,0,0,0|1,0,0]=3 149 B7R0.5 CC(C)[C@@H](N)CCO F53539 [0,2,0,0,0,0|1,0,0]=3 150 B7R0.5 CC(C)[C@@H](N)CCO F53816 [0,2,0,0,0,0|1,0,0]=3 151 B7R0.5 CC(C)[C@@H](O)CON AT14521 [0,2,0,0,0,0|0,1,0]=3 152 B7R0.5 CCOC(=N)C(C)C W12825 [0,2,0,0,0,0|1,0,1]=4 153 B7R0.5 COC[C@H](N)C(C)C 71787 [0,2,0,0,0,0|1,0,0]=3 154 B7R0.10 CCC(C)C(N)CO D75056 [0,2,0,0,0,0|1,0,0]=3 155 B7R0.10 COC(=O)[C@H](C)OC 29231 [0,2,0,0,0,0|0,1,1]=4 156 B7R0.13 CC(C)(CO)C(F)F AT13778 [0,2,0,0,0,0|2,0,0]=4 157 B7R0.13 CC(C)[C@@](C)(N)CO D75113 [0,2,0,0,0,0|0,1,0]=3 158 B7R0.13 COC(C)(C)C(C)=O S10204 [0,2,0,0,0,0|0,1,1]=4 159 B7R0.13 C[C@H](N)C(C)(C)C#N 53159 [0,2,0,0,0,0|1,0,0]=3 160 B7R0.14 CC(C)(C)[C@@H](N)CF 97895 [0,2,0,0,0,0|1,0,0]=3 161 B7R0.14 CC(C)(C)[C@@H](N)CF 97896 [0,2,0,0,0,0|1,0,0]=3 162 B7R0.14 CC(C)(C)[C@@H](N)CO AT21573 [0,2,0,0,0,0|1,0,0]=3 163 B7R0.14 CC(C)(C)[C@@H](N)CO AT21575 [0,2,0,0,0,0|1,0,0]=3 164 B7R0.14 CC(C)(C)[C@@H](O)CN 70290 [0,2,0,0,0,0|0,1,0]=3 165 B7R0.14 CC(C)(C)[C@H](Br)C=O F31119 [0,2,0,0,0,0|1,0,1]=4 166 B7R0.14 CC(C)(O)[C@@H](F)CN AC4900 [0,2,0,0,0,0|1,0,0]=3 167 B7R0.14 CC(C)(O)[C@@H](N)CF C92624 [0,2,0,0,0,0|1,0,0]=3 168 B7R0.14 CC(C)(O)[C@@H](N)CF C92628 [0,2,0,0,0,0|1,0,0]=3 169 B7R0.14 CC[C@H](C)C(C)(C)C T72627 [0,2,0,0,0,0|1,0,0]=3 170 B7R0.14 CN[C@@H](C)C(F)(F)F AT14758 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.14 CN[C@@H](C)C(F)(F)F AT14766 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.14 CN[C@@H](C)C(F)(F)F AT14768 [0,2,0,0,0,0|2,0,0]=4 173 B7R0.14 C\C=C(/C)C(C)(C)C D92448 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.17 CC(C)(N)C(F)(F)F AT11811 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.17 CC(C)(N)C(F)(F)F AT14446 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.17 [2H]C([2H])([2H])C(C)(C)O D98112 [0,2,0,0,0,0|2,0,0]=4 177 B5R1.2 C[C@H]1CCN1 71554 [1,0,0,1,0,0|1,0,0]=3 178 B5R1.2 FC1CNC1 31039 [1,0,0,1,0,0|2,0,0]=4 179 B5R1.2 IC1CNC1 P11673 [1,0,0,1,0,0|2,0,0]=4 180 B5R1.2 NC1CNC1 AC2715 [1,0,0,1,0,0|2,0,0]=4 181 B5R1.3 C=CC1CC1 59738 [1,0,0,1,0,0|0,0,2]=4 182 B5R1.3 IC[C@H]1CO1 CS1242 [1,0,0,1,0,0|1,1,0]=4 183 B5R1.3 NNC1CC1 P19257 [1,0,0,1,0,0|2,0,0]=4 184 B5R1.3 SCC1CC1 AT12991 [1,0,0,1,0,0|0,0,0]=2 185 B5R1.4 C[C@H]1C[C@@H]1N 73029 [1,0,0,1,0,0|1,0,0]=3 186 B5R1.4 N[C@@H]1C[C@@H]1F CS2913 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,0,0,1,0,1|0,0,1]=3 188 B7R1.2 CC1CC(O)CN1 AT24888 [0,0,0,1,0,1|1,1,0]=4 189 B7R1.2 CC1CNC(C)C1 83923 [0,0,0,1,0,1|1,0,0]=3 190 B7R1.2 CN1CC[C@H](N)C1 56133 [0,0,0,1,0,1|2,0,0]=4 191 B7R1.2 CN1CC[C@H](N)C1 AT11189 [0,0,0,1,0,1|2,0,0]=4 192 B7R1.2 C[C@@H]1C[C@H](F)CN1 73102 [0,0,0,1,0,1|2,0,0]=4 193 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [0,0,0,1,0,1|1,0,0]=3 194 B7R1.2 N[C@H]1CC[C@H](F)C1 C93268 [0,0,0,1,0,1|2,0,0]=4 195 B7R1.2 N[C@H]1CC[C@H](F)C1 C93270 [0,0,0,1,0,1|2,0,0]=4 196 B7R1.20 CC(=O)CC1CC1 N12620 [0,0,0,1,0,1|0,1,1]=4 197 B7R1.20 CC(C)NC1CC1 AT12484 [0,0,0,1,0,1|1,0,0]=3 198 B7R1.4 CC1CNCC1O 72148 [0,1,0,1,0,0|0,1,0]=3 199 B7R1.4 CC1CNCC1O AT22587 [0,1,0,1,0,0|0,1,0]=3 200 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [0,1,0,1,0,0|1,0,0]=3 201 B7R1.4 C[C@@H]1CNC[C@@H]1N AT23641 [0,1,0,1,0,0|1,0,0]=3 202 B7R1.4 C[C@@H]1CNC[C@@H]1N F13020 [0,1,0,1,0,0|1,0,0]=3 203 B7R1.4 C[C@@H]1CNC[C@@H]1N F13021 [0,1,0,1,0,0|1,0,0]=3 204 B7R1.4 C[C@H]1CCNC1=O C74322 [0,1,0,1,0,0|0,1,1]=4 205 B7R1.4 C[C@H]1CNCC1=O F13737 [0,1,0,1,0,0|0,1,1]=4 206 B7R1.4 C[C@H]1COCC1=O AT13358 [0,1,0,1,0,0|0,1,1]=4 207 B7R1.4 F[C@H]1CNC[C@H]1F AT14980 [0,1,0,1,0,0|2,0,0]=4 208 B7R1.4 NC1CCCC1N 77840 [0,1,0,1,0,0|2,0,0]=4 209 B7R1.4 NC1COCC1O F19779 [0,1,0,1,0,0|1,1,0]=4 210 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [0,1,0,1,0,0|1,1,0]=4 211 B7R1.4 N[C@@H]1COC[C@@H]1O F53614 [0,1,0,1,0,0|1,1,0]=4 212 B7R1.4 N[C@@H]1COC[C@@H]1O P17902 [0,1,0,1,0,0|1,1,0]=4 213 B7R1.4 N[C@H]1COC[C@@H]1O P17884 [0,1,0,1,0,0|1,1,0]=4 214 B7R1.4 OC1COCC1Br AC8201 [0,1,0,1,0,0|1,1,0]=4 215 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [0,1,0,1,0,0|1,1,0]=4 216 B7R1.4 O[C@H]1CNC[C@@H]1F P15635 [0,1,0,1,0,0|1,1,0]=4 217 B7R1.4 O[C@H]1CNC[C@@H]1O AT22802 [0,1,0,1,0,0|1,1,0]=4 218 B7R1.8 CN1CC[C@@H]1CN P13167 [0,1,0,1,0,0|2,0,0]=4 219 B7R1.8 CN1CC[C@@H]1CN P13169 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.8 CN1CC[C@@H]1CN P15774 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.8 CN1CC[C@@H]1CN P15856 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.8 OC[C@H]1CC[C@@H]1O D79582 [0,1,0,1,0,0|0,1,0]=3 223 B7R1.17 N[C@H]1CCC1(F)F P14097 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.18 CN(C)C1CNC1 S11568 [0,1,0,1,0,0|2,0,0]=4 225 B7R1.18 C[C@H](N)C1CCC1 32380 [0,1,0,1,0,0|1,0,0]=3 226 B7R1.18 C[C@H](N)C1CCC1 93059 [0,1,0,1,0,0|1,0,0]=3 227 B7R1.18 C[C@H](N)C1CCC1 93061 [0,1,0,1,0,0|1,0,0]=3 228 B7R1.19 CC(=O)C1(F)CC1 W10354 [0,1,0,1,0,0|0,1,1]=4 229 B7R1.19 CC(C)C1(N)CC1 AT12485 [0,1,0,1,0,0|1,0,0]=3 230 B7R1.19 NC1(C(F)F)CC1 AT11005 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.22 C#C[C@@H](N)C1CC1 AC1318 [0,1,0,1,0,0|1,0,1]=4 232 B7R1.22 CCC(=O)C1CC1 P11281 [0,1,0,1,0,0|0,1,1]=4 233 B7R1.22 NCC(=O)C1CC1 C77542 [0,1,0,1,0,0|0,1,1]=4 234 B7R1.22 NC[C@H](N)C1CC1 I11913 [0,1,0,1,0,0|1,0,0]=3 235 B7R1.22 NC[C@H](N)C1CC1 N10759 [0,1,0,1,0,0|1,0,0]=3 236 B7R1.22 NC[C@H](O)C1CC1 V10284 [0,1,0,1,0,0|0,1,0]=3 237 B7R1.22 N[C@@H](CO)C1CC1 AT25644 [0,1,0,1,0,0|1,0,0]=3 238 B7R1.22 N[C@@H](CO)C1CC1 N11216 [0,1,0,1,0,0|1,0,0]=3 239 B7R1.23 CC1(C)C[C@@H]1CN 69322 [0,1,0,1,0,0|1,0,0]=3 240 B7R1.23 CC1(C)C[C@@H]1CN AT12868 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.23 FC1(F)C[C@@H]1CBr AT12585 [0,1,0,1,0,0|2,0,0]=4 242 B7R1.23 FC1(F)C[C@@H]1CI AT12586 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.23 NC[C@H]1CC1(F)F AT12581 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.26 CC(C)(N)C1CC1 78524 [0,1,0,1,0,0|1,0,0]=3 245 B7R1.26 [2H]C([2H])(O)C1CC1 D98448 [0,1,0,1,0,0|1,1,0]=4 246 B7R0.6 CC(C)CC[C@H](C)N C11213 [0,0,0,0,0,2|1,0,0]=3 247 B7R0.6 CC(C)OC[C@H](C)O T72421 [0,0,0,0,0,2|0,1,0]=3