0 B7R0.9 CC(=O)O[Si](C)(C)C T40435 [0,0,0,0,0,0|2,1,0]=3 1 B7R0.9 CC(C)(C)CB(O)O N40449 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.9 CC(C)(C)OC(N)=O C10352 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.9 CC(C)(N)CC(=O)O A40410 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [0,0,0,0,0,0|1,1,0]=2 5 B7R0.9 CS(=O)(=O)CC(=O)O M37911 [0,0,0,0,0,0|3,1,0]=4 6 B7R0.9 O=C(O)CC(F)(F)F T39832 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.2 CC(=O)C=C(C)N A41256 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.2 CC(=O)NC(C)C P40402 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.2 CC(C)CB(O)O M4460 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.2 CC(C)C[C@H](C)N M43511 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.2 CC(C)NC(C)C D64760 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.2 CN(C)CC(=O)Cl D40251 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.2 CN(C)CC(N)=S D69472 [1,0,0,0,0,0|2,1,0]=4 15 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,0,0,0,0,0|1,1,0]=3 18 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [1,0,0,0,0,0|0,1,2]=4 19 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,0,0,0,0,0|1,1,0]=3 21 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,0,0,0,0,0|1,1,0]=3 22 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [1,0,0,0,0,0|0,1,2]=4 23 B6R0.5 C=CCC(C)(C)O M8263 [1,0,0,0,0,0|0,1,1]=3 24 B6R0.5 CC(C)(C)CCBr B41571 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.5 CC(C)(F)CCN F62077 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.5 CC(C)(N)CCN M37075 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.5 CC(C)(N)CCO A40444 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.5 CC(C)(O)CCN A61563 [1,0,0,0,0,0|1,1,1]=4 29 B6R0.5 CCC[N+](C)(C)C T43586 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.5 CNCC(C)(C)O M40445 [1,0,0,0,0,0|1,1,0]=3 31 B6R0.5 COCC(C)(C)O M40434 [1,0,0,0,0,0|1,1,0]=3 32 B8R0.24 C#CC(=O)OC(C)(C)C B43714 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.24 CC(C)(C)OC(=O)CI B41529 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.24 CC(C)(C)OC(=O)CN A38454 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.24 CC(C)(C)OC(=O)CO H32095 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.24 CC(C)(C)OC(=O)NN B12512 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.24 CC(C)(C)OC(=O)NO H32224 [0,1,0,0,0,0|3,0,0]=4 38 B8R0.24 CNC(=O)OC(C)(C)C B2974 [0,1,0,0,0,0|2,0,0]=3 39 B8R0.24 COC(=O)CC(C)(C)O M41558 [0,1,0,0,0,0|0,1,0]=2 40 B8R0.24 COC(=O)CS(C)(=O)=O M40262 [0,1,0,0,0,0|2,1,0]=4 41 B8R0.27 CC(C)(C)C(=O)C(=O)O D41469 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A22282 [0,1,0,0,0,0|2,0,0]=3 43 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A67484 [0,1,0,0,0,0|2,0,0]=3 44 B8R0.27 CC(C)(C)[C@H](N)C(N)=O A43510 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.27 CC(C)(C)[C@H](O)C(=O)O H41560 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O A40416 [0,1,0,0,0,0|1,1,0]=3 47 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O A24088 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.27 CC(C)(S)[C@H](N)C(=O)O A69092 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.34 CC(C)(CN)CC(=O)O A60787 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.34 CC(C)(CN)CC(=O)O A67050 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.51 C=C1COC(C)(C)O1 D8451 [0,0,0,1,0,0|2,1,0]=4 52 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.51 CC1(C)COC(=O)N1 D0615 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.51 CC1(C)C[C@H](O)CN1 D60304 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.51 CC1(O)CCC(N)C1 H14948 [0,0,0,1,0,0|1,1,1]=4 58 B8R1.51 O=C1CCS(=O)(=O)C1 D8866 [0,0,0,1,0,0|2,1,0]=4 59 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.77 O=C(O)[C@@H]1CC1(F)F D31144 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.77 O=C(O)[C@H]1CC1(F)F D13358 [0,0,0,1,0,0|3,0,0]=4 64 B6R0.7 CC(C)(Br)C(N)=O B38472 [0,0,0,0,1,0|2,0,0]=3 65 B6R0.7 CC(C)(C)C(=N)N P41342 [0,0,0,0,1,0|3,0,0]=4 66 B6R0.7 CC(C)(C)C(=O)[O-] P36605 [0,0,0,0,1,0|2,0,0]=3 67 B6R0.7 CC(C)(C)C(=O)[O-] S41305 [0,0,0,0,1,0|2,0,0]=3 68 B6R0.7 CC(C)(C)C(N)=O T40403 [0,0,0,0,1,0|2,0,0]=3 69 B6R0.7 CC(C)(C)C(N)=S D40417 [0,0,0,0,1,0|2,1,0]=4 70 B6R0.7 CC(C)(C)[S@@](N)=O B8185 [0,0,0,0,1,0|3,0,0]=4 71 B6R0.7 CC(C)(C)[S@@](N)=O M29758 [0,0,0,0,1,0|3,0,0]=4 72 B6R0.7 CC(C)(F)C(=O)O F60900 [0,0,0,0,1,0|2,0,0]=3 73 B6R0.7 CC(C)(O)C(N)=O H40266 [0,0,0,0,1,0|1,1,0]=3 74 B6R0.7 CC(F)(F)C(=O)O D39849 [0,0,0,0,1,0|3,0,0]=4 75 B6R0.7 C[C@@H](N)C(C)(C)C D23001 [0,0,0,0,1,0|2,0,1]=4 76 B8R0.29 CC(C)(C)NCC(=O)O B43496 [0,0,0,0,0,1|2,0,0]=3 77 B8R0.29 CC(C)(C)OCC(=O)O B41556 [0,0,0,0,0,1|2,0,0]=3 78 B8R0.29 CC(C)NCC(C)(C)N M64179 [0,0,0,0,0,1|2,0,1]=4 79 B5R0.1 C=C(C)OCC E5573 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.1 C=CC[C@H](C)O P62507 [2,0,0,0,0,0|0,1,1]=4 81 B5R0.1 CC(=O)CC#N X40158 [2,0,0,0,0,0|1,0,1]=4 82 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|1,0,0]=3 83 B5R0.1 CC(C)CNN B40316 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.1 CCC[C@@H](C)N P16023 [2,0,0,0,0,0|1,0,1]=4 85 B5R0.1 CCC[C@H](C)N P22363 [2,0,0,0,0,0|1,0,1]=4 86 B5R0.1 CCOC(C)=N E68065 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.1 CN(C)CC=O D39943 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.1 CN(C)NC=O D66358 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.1 CNCC(N)=O M68358 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.1 COC[C@@H](C)N M40311 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.1 COC[C@@H](C)O M39959 [2,0,0,0,0,0|1,1,0]=4 94 B5R0.1 COC[C@H](C)O M61064 [2,0,0,0,0,0|1,1,0]=4 95 B5R0.1 NCCC(N)=O A67869 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.4 CC(C)(C)CN D41344 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.4 CC(C)(C)C[Mg+] D31702 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.4 CC(C)(F)CO F64897 [2,0,0,0,0,0|1,0,1]=4 99 B5R0.4 CC(C)(N)CN M25502 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.4 CC(C)(N)CO A68632 [2,0,0,0,0,0|1,0,1]=4 101 B5R0.4 CC(C)(O)CCl C40272 [2,0,0,0,0,0|1,1,0]=4 102 B5R0.4 CC(C)(O)CN A10987 [2,0,0,0,0,0|1,1,0]=4 103 B5R0.4 CC(C)(O)CO M37968 [2,0,0,0,0,0|0,1,1]=4 104 B5R0.4 CC(C)(S)CN A40315 [2,0,0,0,0,0|1,0,0]=3 105 B7R0.2 CC(C)C[C@@H](N)CO L41620 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.2 CC(C)C[C@H](N)CO A68907 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.2 CC(C)NC(=O)CCl P40378 [1,1,0,0,0,0|1,0,0]=3 108 B7R0.2 CC(C)OC(=O)CO I38145 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.2 CC(C=O)=CN(C)C D41498 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|0,1,1]=4 111 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|1,0,0]=3 112 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.2 COC(=O)C=C(C)C M41461 [1,1,0,0,0,0|0,0,2]=4 114 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,1,0,0,0,0|1,0,0]=3 115 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,1,0,0,0,0|0,1,0]=3 116 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,1,0,0,0,0|0,1,0]=3 117 B7R0.2 C[C@H](CCl)CN(C)C C41612 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [1,1,0,0,0,0|1,1,0]=4 119 B7R0.2 NC[C@H](O)CC(=O)O A67723 [1,1,0,0,0,0|1,1,0]=4 120 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.16 CC(C)C(N)C(C)C D46525 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [1,1,0,0,0,0|1,0,0]=3 124 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [1,1,0,0,0,0|1,0,0]=3 125 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [1,1,0,0,0,0|1,0,0]=3 127 B7R0.16 CC(O)C(N)C(=O)O T61081 [1,1,0,0,0,0|1,1,0]=4 128 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [1,1,0,0,0,0|1,1,0]=4 129 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [1,1,0,0,0,0|1,1,0]=4 130 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [1,1,0,0,0,0|1,1,0]=4 131 B7R0.13 C#CC(C)(C)C(=O)O D24314 [0,1,0,0,1,0|2,0,0]=4 132 B7R0.13 C=CC(C)(C)C(=O)O D37320 [0,1,0,0,1,0|2,0,0]=4 133 B7R0.13 CC(=O)C(C)(C)C#N D9183 [0,1,0,0,1,0|1,0,0]=3 134 B7R0.13 CC(C)(C#N)C(=O)O C62304 [0,1,0,0,1,0|2,0,0]=4 135 B7R0.13 CC(C)(CF)C(=O)O F41272 [0,1,0,0,1,0|2,0,0]=4 136 B7R0.13 CC(C)(CN)C(N)=O A12146 [0,1,0,0,1,0|2,0,0]=4 137 B7R0.13 CC(C)(CO)C(=O)O H68365 [0,1,0,0,1,0|1,1,0]=4 138 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [0,1,0,0,1,0|2,0,0]=4 139 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [0,1,0,0,1,0|2,0,0]=4 140 B7R0.13 C[C@@](N)(CO)C(=O)O M36868 [0,1,0,0,1,0|2,0,0]=4 141 B7R0.13 C[C@](N)(CO)C(=O)O A32019 [0,1,0,0,1,0|2,0,0]=4 142 B7R0.13 C[C@](O)(CBr)C(=O)O B40235 [0,1,0,0,1,0|1,1,0]=4 143 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O A43931 [0,1,0,0,0,1|2,0,0]=4 144 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C L66830 [0,2,0,0,0,0|1,0,0]=3 145 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C M38468 [0,2,0,0,0,0|1,0,0]=3 146 B9R0.25 COC(=O)[C@H](N)C(C)(C)C M66640 [0,2,0,0,0,0|1,0,0]=3 147 B9R0.44 C=CCC(=O)OC(C)(C)C B47084 [0,2,0,0,0,0|2,0,0]=4 148 B9R0.44 CC(C)(C)OC(=O)CC#N C37464 [0,2,0,0,0,0|2,0,0]=4 149 B9R0.44 CC(C)(C)OC(=O)CCBr B43863 [0,2,0,0,0,0|2,0,0]=4 150 B9R0.44 CC(C)(C)OC(=O)CCN B43925 [0,2,0,0,0,0|2,0,0]=4 151 B9R0.44 CC(C)(C)OC(=O)CCN B67888 [0,2,0,0,0,0|2,0,0]=4 152 B9R0.44 CCNC(=O)OC(C)(C)C B43922 [0,2,0,0,0,0|2,0,0]=4 153 B9R0.44 CCOC(=O)CC(C)(C)N E38783 [0,2,0,0,0,0|1,0,0]=3 154 B9R0.44 CCOC(=O)CC(C)(C)O E43891 [0,2,0,0,0,0|0,1,0]=3 155 B9R0.44 CCOC(=O)C[Si](C)(C)C E43949 [0,2,0,0,0,0|1,1,0]=4 156 B9R0.44 CNCC(=O)OC(C)(C)C B43929 [0,2,0,0,0,0|2,0,0]=4 157 B9R0.44 CNNC(=O)OC(C)(C)C M37037 [0,2,0,0,0,0|2,0,0]=4 158 B9R0.44 CONC(=O)OC(C)(C)C M38869 [0,2,0,0,0,0|2,0,0]=4 159 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl C38568 [0,2,0,0,0,0|1,1,0]=4 160 B9R0.11 CC(C)(CC(=O)O)C(=O)O D68876 [0,2,0,0,0,0|1,1,0]=4 161 B9R0.58 CCC[C@](C)(O)CC(=O)O H69517 [0,2,0,0,0,0|1,1,0]=4 162 B9R0.63 COP(=O)(CC(C)=O)OC D0610 [0,2,0,0,0,0|1,1,0]=4 163 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|0,0,2]=4 164 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|1,0,0]=3 165 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|1,0,0]=3 166 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|1,0,0]=3 168 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,1,0,0|0,1,1]=4 177 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|0,1,0]=3 178 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [1,0,0,1,0,0|1,1,0]=4 179 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [1,0,0,1,0,0|1,0,0]=3 180 B7R1.2 O=C1C[C@H](O)CN1 H15629 [1,0,0,1,0,0|1,1,0]=4 181 B7R1.2 O=C1C[C@H](O)CN1 H38056 [1,0,0,1,0,0|1,1,0]=4 182 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|1,0,0]=3 183 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|1,0,0]=3 184 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|1,0,0]=3 185 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|1,0,0]=3 186 B7R1.12 O=C(O)C1CC1F F20460 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.16 CC1(C)CC(N)C1 D18434 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.16 CC1(C)CC(O)C1 D24163 [1,0,0,1,0,0|0,0,2]=4 194 B7R1.16 O=C1CC(F)(F)C1 D11667 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|1,0,0]=3 196 B7R1.14 CC1(C)CCCN1 D24602 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.14 CC1(C)CCNC1 D1149 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.14 CC1(O)CCCC1 M41551 [1,0,0,1,0,0|0,1,1]=4 199 B7R1.14 C[C@@]1(O)CCNC1 M23456 [1,0,0,1,0,0|1,1,0]=4 200 B7R1.14 C[C@]1(F)CCNC1 F29656 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.14 C[C@]1(N)CCOC1 A11772 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.14 C[C@]1(O)CCNC1 H0280 [1,0,0,1,0,0|1,1,0]=4 203 B7R1.14 C[C@]1(O)CCNC1 M10113 [1,0,0,1,0,0|1,1,0]=4 204 B7R1.14 C[C@]1(O)CCNC1 M18574 [1,0,0,1,0,0|1,1,0]=4 205 B7R1.14 C[C@]1(O)CCNC1 M59983 [1,0,0,1,0,0|1,1,0]=4 206 B7R1.17 CC1(C)CCC1=O D60316 [0,0,0,1,1,0|1,0,0]=3 207 B7R1.19 CC1(C(=O)Cl)CC1 M21667 [0,0,0,1,1,0|2,0,0]=4 208 B7R1.19 CC1(C(=O)O)CC1 M10729 [0,0,0,1,1,0|2,0,0]=4 209 B7R1.19 CC1(C(N)=O)CC1 M41258 [0,0,0,1,1,0|2,0,0]=4 210 B7R1.19 NC(=O)C1(N)CC1 A29804 [0,0,0,1,1,0|2,0,0]=4 211 B7R1.19 NC1(C(=O)O)CC1 A7850 [0,0,0,1,1,0|2,0,0]=4 212 B7R1.19 O=C(O)C1(Br)CC1 B40170 [0,0,0,1,1,0|2,0,0]=4 213 B7R1.19 O=C(O)C1(F)CC1 F32122 [0,0,0,1,1,0|2,0,0]=4 214 B7R1.19 O=C(O)C1(O)CC1 H13746 [0,0,0,1,1,0|1,1,0]=4 215 B9R1.10 CC1(C)C=CC(=O)CC1 D47014 [0,0,0,1,0,1|1,0,1]=4 216 B9R1.10 CC1(C)CCC(=O)CC1 D23641 [0,0,0,1,0,1|1,0,0]=3 217 B9R1.10 CC1(C)CNC(=O)CN1 D25392 [0,0,0,1,0,1|1,0,0]=3 218 B9R1.10 CC1(C)OCC(=O)CO1 D25156 [0,0,0,1,0,1|0,1,0]=3 219 B9R1.10 O=C1CCC(F)(F)CC1 D5709 [0,0,0,1,0,1|2,0,0]=4 220 B9R1.10 O=C1CCC(F)(F)CN1 D15393 [0,0,0,1,0,1|2,0,0]=4 221 B9R1.51 CC(C)(C)C1CC(=O)C1 B60480 [0,0,0,1,0,1|1,0,0]=3 222 B9R1.164 CC(=O)C1CC(F)(F)C1 D20631 [0,0,0,1,0,1|2,0,0]=4 223 B9R1.164 CC1(C)C=C(C(=O)O)C1 D6362 [0,0,0,1,0,1|2,0,0]=4 224 B9R1.164 CC1(C)CC(C(=O)O)C1 D11728 [0,0,0,1,0,1|2,0,0]=4 225 B9R1.164 CC1(F)CC(C(=O)O)C1 C20596 [0,0,0,1,0,1|2,0,0]=4 226 B9R1.164 CC1(O)CC(C(=O)O)C1 H14479 [0,0,0,1,0,1|1,1,0]=4 227 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 F60006 [0,0,0,1,0,1|2,0,0]=4 228 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 H11742 [0,0,0,1,0,1|1,1,0]=4 229 B9R1.164 C[C@]1(O)C[C@H](C(=O)[O-])C1 H31897 [0,0,0,1,0,1|1,1,0]=4 230 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,1,0,1,0,0|1,0,0]=3 231 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,1,0,1,0,0|0,1,0]=3 232 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,1,0,1,0,0|1,0,0]=3 233 B9R1.113 COC(=O)CC1(N)CC1 M37142 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A11157 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A30010 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 A62784 [0,1,0,1,0,0|1,1,0]=4 237 B9R1.138 CC1(C)COC(=O)[C@H]1O H41475 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.166 CC1(C)CN[C@@H]1C(=O)O A30117 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.38 CC1(C)CC(=O)OC1=O D67953 [0,1,0,1,0,0|1,1,0]=4 240 B9R1.128 O=C(O)CC1(CS)CC1 M62742 [0,1,0,1,0,0|1,0,0]=3 241 B9R2.139 O=C1CC2(CC2)CO1 X23130 [0,0,0,2,0,0|2,0,0]=4 242 B9R2.143 O=C(O)[C@H]1CC12CC2 S21785 [0,0,0,2,0,0|2,0,0]=4 243 B5R0.5 CC(C)C(=N)N B40303 [1,0,0,0,1,0|2,0,0]=4 244 B5R0.5 CC(C)C(N)=O I4848 [1,0,0,0,1,0|1,0,0]=3 245 B5R0.5 CC(C)C(N)=S M3101 [1,0,0,0,1,0|1,1,0]=4 246 B5R0.5 CC(C)[S@](=O)[O-] S66891 [1,0,0,0,1,0|2,0,0]=4 247 B5R0.5 CC(O)C(=O)[O-] C60888 [1,0,0,0,1,0|1,1,0]=4 248 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,0,0,0,1,0|2,0,0]=4 249 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,0,0,0,1,0|2,0,0]=4 250 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,0,0,0,1,0|1,1,0]=4 251 B5R0.5 C[C@H](N)C(=O)O A39925 [1,0,0,0,1,0|2,0,0]=4 252 B5R0.5 C[C@H](N)C(=O)O A60902 [1,0,0,0,1,0|2,0,0]=4 253 B7R0.6 CC(=O)CCC(C)=O H64912 [1,0,0,0,0,1|0,1,1]=4 254 B7R0.6 CC(=O)CNC(C)=O X41261 [1,0,0,0,0,1|0,1,1]=4 255 B7R0.6 CC(=O)NN=C(C)C A66607 [1,0,0,0,0,1|1,0,1]=4 256 B7R0.6 CC(=O)NNC(C)C P40426 [1,0,0,0,0,1|1,0,0]=3 257 B7R0.6 CC(=O)\C=C\N(C)C D68911 [1,0,0,0,0,1|1,0,1]=4 258 B7R0.6 CN(C)CCC(=O)O D41335 [1,0,0,0,0,1|2,0,0]=4 259 B9R0.56 CC(=O)SCC[N+](C)(C)C A38049 [0,0,0,0,0,2|2,0,0]=4