0 B6R0.2 CC(=O)C[N+](=O)[O-] 93726 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.2 CC(C)C[C@H](C)N 90224 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 C[C@H](N)CN(C)C AT11417 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 C[C@H](N)CN(C)C C78207 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 C[C@H](N)CN(C)C C78491 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 C\C(I)=C\C(=O)O W11497 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C=C(C)CCC D91296 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 C=CC[C@H](C)N AT12969 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CC#CC(C)=O AC8567 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 CC(=O)CCBr D82681 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 CC(C)CNN AR2531 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 CC(C)\C=N\O D77551 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CCC[C@H](C)N N10856 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CCC[C@H](C)N N15476 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CNCC(C)=O 72642 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CONC(C)=O AT24901 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 CONC(C)C AT24926 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CONC(N)=O AT24902 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CSC[C@H](C)N AT10784 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 C[S@](=O)CCN AT24516 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 C[S@](=O)CCN AT24517 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 C[S@](=O)CCO E72546 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 C\C(I)=C/CI AC6903 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 C\C=C/C(C)C T72834 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.1 NCCC(=O)O T70551 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 NCCC(N)=O AC6190 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 [2H]C(=O)OCC D98566 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.2 C=C(C#N)OC(C)=O T70740 [0,1,0,0,0,0|0,0,3]=4 28 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.2 C=CC(=O)C=C(C)C F12626 [0,1,0,0,0,0|1,0,2]=4 30 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.2 CC(C)CC(=O)CN F50535 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.2 CN(C)\C=C(/Br)C=O AT21684 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.2 COC(=O)CN(C)C F21349 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.2 COC(=O)C[C@H](C)N N13255 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.2 C[C@@H](CN)CN(C)C F12739 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.2 C\C(C=O)=C\N(C)C F13117 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.9 C=C(C)CC(C)(C)C F21333 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.9 CC(=O)CC(C)(C)N F18062 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.9 CC(C)NS(N)(=O)=O AT20303 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.9 C[C@H](N)CS(C)(=O)=O AT10786 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.9 C[N+](C)(C)CC(=O)Cl S12388 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.9 [2H]C(=O)OC([2H])([2H])[2H] D98687 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.9 [2H]C([2H])(C)CC(=O)O D99060 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.9 [2H]C([2H])([2H])OC(C)=O D98923 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.16 CC(=O)C(=O)[C@H](C)Br A11673 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.16 CC(C)=C(Cl)C(=O)O A50965 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.16 CC(C)C(C)C(C)C T72628 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.2 CC1=CN=C(C)O1 AC5679 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,0,0,1,0,0|1,1,0]=3 55 B7R1.2 CC1CNC(C)C1 83923 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.2 CN1CCC(=O)C1 64219 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.2 C[C@H]1CN=C(N)N1 AT25109 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,0,0,1,0,0|1,0,0]=2 62 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,0,0,1,0,0|2,0,0]=3 64 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.2 O=C1CCC(=S)N1 N13285 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.2 O=C1CN[C@@H](S)S1 T72832 [0,0,0,1,0,0|2,1,0]=4 69 B7R1.2 O=C1C[C@H](S)CN1 39278 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F CS3444 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.12 NC(=O)[C@H]1C[C@@H]1F CS3447 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.20 CC(=O)CC1CC1 N12620 [0,0,0,1,0,0|1,0,0]=2 73 B7R1.20 CC(C)NC1CC1 AT12484 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.20 N=C(N)NC1CC1 W18732 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.20 NC(N)=NC1CC1 D86252 [0,0,0,1,0,0|3,0,0]=4 76 B5R0.5 C=C(C)C(=O)[O-] F14145 [0,0,0,0,1,0|1,0,2]=4 77 B5R0.5 CC(=O)[C@H](C)N 91522 [0,0,0,0,1,0|1,0,0]=2 78 B5R0.5 CC(C)C(=O)O A11457 [0,0,0,0,1,0|1,0,0]=2 79 B5R0.5 CC(C)C(I)I AC2721 [0,0,0,0,1,0|2,0,1]=4 80 B5R0.5 CC(C)S(=O)[O-] AT25017 [0,0,0,0,1,0|2,0,0]=3 81 B5R0.5 CC(C)[13C](=O)[O-] D99296 [0,0,0,0,1,0|1,0,0]=2 82 B5R0.5 CC(C)[C@H](C)Br AT23713 [0,0,0,0,1,0|1,0,1]=3 83 B5R0.5 CC(C)[C@H](C)N A12293 [0,0,0,0,1,0|1,0,1]=3 84 B5R0.5 CC(C)[S@](=O)[O-] C11403 [0,0,0,0,1,0|2,0,0]=3 85 B5R0.5 CC(N)C(C)N AT12970 [0,0,0,0,1,0|2,0,1]=4 86 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [0,0,0,0,1,0|2,0,0]=3 87 B5R0.5 C[C@H](F)C(=O)O 36890 [0,0,0,0,1,0|2,0,0]=3 88 B5R0.5 C[C@H](N)C(N)=O FD21067 [0,0,0,0,1,0|2,0,0]=3 89 B5R0.5 C[C@H](O)C(=N)N F21307 [0,0,0,0,1,0|3,0,0]=4 90 B5R0.5 C[C@H](O)[C@@H](C)N N16999 [0,0,0,0,1,0|1,0,2]=4 91 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [0,0,0,0,1,0|2,0,0]=3 92 B5R0.5 [2H]C(=O)N(C)C D99052 [0,0,0,0,1,0|2,0,0]=3 93 B5R0.5 [2H]N(C)C(C)=O D99692 [0,0,0,0,1,0|2,0,0]=3 94 B7R0.6 CC(=O)NN=C(C)C C12737 [0,0,0,0,0,1|1,0,1]=3 95 B7R0.6 CC(C)CC[C@H](C)N C11213 [0,0,0,0,0,1|2,0,1]=4 96 B7R0.6 CC(C)OC[C@H](C)O T72421 [0,0,0,0,0,1|0,0,2]=3 97 B7R0.6 CC(C)\C=C\[N+](=O)[O-] 72146 [0,0,0,0,0,1|3,0,0]=4 98 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [0,0,0,0,0,1|3,0,0]=4 99 B4R0.1 C=C=C(C)C T72680 [2,0,0,0,0,0|1,0,1]=4 100 B4R0.1 CC(=O)CN D87844 [2,0,0,0,0,0|1,0,0]=3 101 B4R0.1 CC(C)CN T72053 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.1 CC[13C](=O)O D99417 [2,0,0,0,0,0|1,0,0]=3 103 B4R0.1 CC[C@H](C)N 90231 [2,0,0,0,0,0|1,0,1]=4 104 B4R0.1 CC[C@H](C)N N12286 [2,0,0,0,0,0|1,0,1]=4 105 B4R0.1 CC[C@H](C)N N12342 [2,0,0,0,0,0|1,0,1]=4 106 B4R0.1 NCC(N)=O FD21645 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.1 [15NH2]CC(=O)O 41444 [2,0,0,0,0,0|2,0,0]=4 108 B4R0.1 [2H]C(=O)NC D99232 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.1 [2H]C(=O)OC D99666 [2,0,0,0,0,0|1,0,0]=3 110 B4R0.1 [2H]OC(C)C D98571 [2,0,0,0,0,0|1,0,0]=3 111 B4R0.2 CCNCC T70517 [2,0,0,0,0,0|1,0,1]=4 112 B4R0.2 CC\C=C\Br F11593 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.1 CCC[C@H](C)CBr S11885 [1,1,0,0,0,0|1,0,1]=4 114 B6R0.1 CCNC(=O)OC C16084 [1,1,0,0,0,0|1,0,0]=3 115 B6R0.1 CCOC(=N)CCl AC8745 [1,1,0,0,0,0|1,0,0]=3 116 B6R0.1 CCOC(=S)SC AC9840 [1,1,0,0,0,0|0,1,0]=3 117 B6R0.1 CNC[C@@H](C)CN T70175 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.1 COCC(=O)CCl D85993 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.1 COCC(=O)OC F53343 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.1 COC[C@@H](C)CO O10176 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.1 CONC(=O)CCl AT14830 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.3 C=C(CC)C(=O)O 81925 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.3 C=CC(=O)C(C)C C77506 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.3 CC(C)[C@H](Br)C=O AT22275 [1,1,0,0,0,0|1,0,0]=3 125 B6R0.3 CC[C@H](N)C(C)C 74049 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.3 CC[C@H](S)C(=O)O F11548 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.4 C=C(C)CCCO 71061 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.4 CC(C)OCCS AT13760 [1,1,0,0,0,0|0,0,1]=3 129 B6R0.4 CCNCC(=O)O T72729 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.4 CCONC(C)=O AT24904 [1,1,0,0,0,0|0,0,0]=2 131 B6R0.4 CNCCC(N)=O C78256 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.4 COCOC(C)=O D72003 [1,1,0,0,0,0|0,0,0]=2 133 B6R0.4 NC(=O)CCCO AT20755 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.4 NCCCC(=O)O T70552 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.4 NCCCC(N)=O AC5898 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.4 O=C(Cl)OCCF AT25498 [1,1,0,0,0,0|1,0,0]=3 137 B6R0.5 C=CCC(C)(C)N 68260 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.5 CCCC(C)(C)C D87693 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.5 CCOS(=O)(=O)O 44479 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.5 CCOS(=O)(=O)[O-] D78454 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.5 CCO[P@@](C)(=O)O 88048 [1,1,0,0,0,0|1,0,0]=3 142 B6R0.5 CNCC(C)(C)F F53133 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.5 [2H]C([2H])([2H])OC=O D97868 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.7 CC(=O)C(C)(F)F AT12473 [0,1,0,0,1,0|1,0,0]=3 145 B6R0.7 C[C@H](N)C(C)(C)C F17437 [0,1,0,0,1,0|1,0,1]=4 146 B6R0.7 C[C@H](N)C(C)(C)O 86324 [0,1,0,0,1,0|1,0,1]=4 147 B6R0.7 C[C@H](N)C(C)(C)O 86840 [0,1,0,0,1,0|1,0,1]=4 148 B6R0.7 C[C@H](N)C(C)(C)O AC8680 [0,1,0,0,1,0|1,0,1]=4 149 B6R0.7 C[C@H](O)C(C)(C)N AC8763 [0,1,0,0,1,0|0,0,2]=4 150 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [0,1,0,0,1,0|1,0,0]=3 151 B6R0.7 [2H]C([2H])(C)C(=O)O D99197 [0,1,0,0,1,0|2,0,0]=4 152 B6R0.7 [2H][C@@](C)(N)C(=O)O D98250 [0,1,0,0,1,0|2,0,0]=4 153 B8R0.9 CC(=O)OC[C@@H](O)CO A10893 [0,1,0,0,0,1|1,0,0]=3 154 B8R0.9 CC(C)CNC(=O)CN F21149 [0,1,0,0,0,1|1,0,0]=3 155 B8R0.9 COC(=O)\C=C\C(C)C AC9583 [0,1,0,0,0,1|1,0,0]=3 156 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [0,1,0,0,0,1|1,0,0]=3 157 B8R0.29 CC(=O)CSC(C)(C)C F17486 [0,1,0,0,0,1|0,1,0]=3 158 B8R0.29 CC(C)(C)SCC(=O)O AT13960 [0,1,0,0,0,1|1,1,0]=4 159 B8R0.29 [2H]C([2H])([2H])COC(C)=O D98335 [0,1,0,0,0,1|2,0,0]=4 160 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [0,2,0,0,0,0|2,0,0]=4 161 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [0,2,0,0,0,0|2,0,0]=4 162 B8R0.5 CC(C)OC(=O)CCS FD10479 [0,2,0,0,0,0|0,0,0]=2 163 B8R0.5 CC(C)OC(=O)OCI D73860 [0,2,0,0,0,0|0,0,0]=2 164 B8R0.5 CCCC(=O)CC(C)C T72726 [0,2,0,0,0,0|1,0,0]=3 165 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [0,2,0,0,0,0|0,0,0]=2 166 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,2,0,0,0,0|2,0,0]=4 167 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,2,0,0,0,0|2,0,0]=4 168 B8R0.16 COC(=CC(C)=O)OC A50819 [0,2,0,0,0,0|1,0,1]=4 169 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [0,2,0,0,0,0|2,0,0]=4 170 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [0,2,0,0,0,0|2,0,0]=4 171 B8R0.24 COC(=O)CC(C)(C)N C77552 [0,2,0,0,0,0|1,0,0]=3 172 B8R0.24 CS(C)(=O)=NC(=O)CCl AT25736 [0,2,0,0,0,0|2,0,0]=4 173 B8R0.24 C[C@@H](CN)OC(C)(C)C AT13985 [0,2,0,0,0,0|1,0,1]=4 174 B8R0.24 C[C@@H](CO)OC(C)(C)C AT13984 [0,2,0,0,0,0|0,0,2]=4 175 B8R0.27 [2H]C(C)(C)[C@H](N)C(=O)O D99334 [0,2,0,0,0,0|2,0,0]=4 176 B8R0.33 CC(C)(C)OS(C)(=O)=O 60115 [0,2,0,0,0,0|1,0,0]=3 177 B8R0.33 CC(C)(N)CS(C)(=O)=O AT10827 [0,2,0,0,0,0|2,0,0]=4 178 B8R0.18 CO[C@H](C(=O)O)C(C)C 96143 [0,2,0,0,0,0|2,0,0]=4 179 B8R0.18 CO[C@H](C(=O)O)C(C)C AC6556 [0,2,0,0,0,0|2,0,0]=4 180 B8R0.37 CC(C)[C@](C)(N)C(=O)O F12276 [0,2,0,0,0,0|2,0,0]=4 181 B8R0.37 CC(C)[C@](C)(N)C(N)=O C16660 [0,2,0,0,0,0|2,0,0]=4 182 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C D98760 [0,2,0,0,0,0|2,0,0]=4 183 B8R0.37 [2H][C@@](N)(C(=O)O)C(C)C D97892 [0,2,0,0,0,0|2,0,0]=4 184 B6R1.2 C[C@H]1CCNC1 71655 [1,0,0,1,0,0|2,0,0]=4 185 B6R1.2 O=C1CCON1 A11072 [1,0,0,1,0,0|2,0,0]=4 186 B6R1.2 O=C1CNCN1 C15062 [1,0,0,1,0,0|2,0,0]=4 187 B6R1.3 O=C=NC1CC1 AC8066 [1,0,0,1,0,0|1,0,1]=4 188 B6R1.5 CC1CC(C)N1 P20516 [1,0,0,1,0,0|1,0,1]=4 189 B6R1.5 C[C@H]1CC(=O)N1 D72859 [1,0,0,1,0,0|1,0,0]=3 190 B6R1.5 C[C@H]1C[C@@H](C)N1 D79633 [1,0,0,1,0,0|1,0,1]=4 191 B6R1.5 NC1CC(=O)C1 D78737 [1,0,0,1,0,0|2,0,0]=4 192 B6R1.4 CC1CCC1N W15200 [0,0,0,1,1,0|1,0,1]=4 193 B8R1.3 CC1COC(C)CN1 F12415 [0,0,0,1,0,1|1,0,1]=4 194 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,0,0,1,0,1|1,0,0]=3 195 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,0,0,1,0,1|1,0,0]=3 196 B8R1.3 C[C@H]1CN[C@H](C)CO1 S11084 [0,0,0,1,0,1|1,0,1]=4 197 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,0,0,1,0,1|2,0,0]=4 198 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,0,0,1,0,1|2,0,0]=4 199 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [0,0,0,1,0,1|2,0,0]=4 200 B8R1.35 O=C(Cl)OCC1CC1 C77515 [0,0,0,1,0,1|1,0,0]=3 201 B8R1.51 CC1(C)CC(=O)CO1 P20320 [0,0,0,1,0,1|0,0,0]=2 202 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,0,0,1,0,1|0,1,0]=3 203 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,1,0,1,0,0|1,0,0]=3 205 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,1,0,1,0,0|1,0,0]=3 206 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [0,1,0,1,0,0|2,0,0]=4 208 B8R1.1 NC[C@H]1CNC(=O)O1 P12528 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.1 O=C1C=C[C@H](CO)O1 A51108 [0,1,0,1,0,0|0,0,2]=4 211 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,1,0,1,0,0|0,0,0]=2 212 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,1,0,1,0,0|1,0,0]=3 214 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.4 CC1CCOS(=O)O1 A12529 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.4 CC1CNC[C@H](C)O1 F18928 [0,1,0,1,0,0|1,0,1]=4 217 B8R1.4 CN1CCCC(=O)C1 C14007 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,1,0,1,0,0|1,0,0]=3 221 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,1,0,1,0,0|1,0,0]=3 222 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [0,1,0,1,0,0|1,0,1]=4 223 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.18 CC1=C(C)OC(=O)N1 AT18454 [0,1,0,1,0,0|1,0,1]=4 228 B8R1.18 CC1=NC(C)C(C)S1 A10763 [0,1,0,1,0,0|1,1,0]=4 229 B8R1.18 CC1CC(=O)OC1C AC8330 [0,1,0,1,0,0|0,0,0]=2 230 B8R1.18 CC1CC(=O)OC1O S10278 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.18 CC1NC(=O)CC1O 94943 [0,1,0,1,0,0|1,0,0]=3 232 B8R1.18 CN1C[C@@H](I)CC1=O D79270 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.18 CN1C[C@@H](N)CC1=O AT19106 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.18 C[C@@H]1OC(=O)NC1=O D75118 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,1,0,1,0,0|1,0,0]=3 236 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.34 CC(=O)C=C1CCC1 F20871 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.34 CC(=O)C=C1COC1 CS1989 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.34 CC(=O)NC1CNC1 33732 [0,1,0,1,0,0|1,0,0]=3 240 B8R1.34 CC(=O)SC1CNC1 P12390 [0,1,0,1,0,0|0,1,0]=3 241 B8R1.34 NC(=O)NC1CNC1 AT23009 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.34 NC(=O)OC1CNC1 AT23010 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.34 O=C(O)CC1CNC1 A50755 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.34 O=C(O)CC1CNC1 P10897 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.40 CNC(=S)NC1CC1 AT24986 [0,1,0,1,0,0|1,1,0]=4 247 B8R1.43 CCC1CC1C(=O)O AT12378 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.62 C[C@]1(CCl)CC(=O)N1 AT19217 [0,1,0,1,0,0|1,0,0]=3 249 B8R1.54 N[C@H](C(=O)O)C1CC1 59338 [0,1,0,1,0,0|2,0,0]=4 250 B8R2.34 C1CC2CCC1O2 T72216 [0,0,0,2,0,0|1,0,1]=4 251 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,2,0,0|1,0,0]=3 252 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,0,0,2,0,0|2,0,0]=4 253 B8R0.28 C=C(C)CCCC(C)C T70747 [0,0,0,0,0,2|2,0,0]=4 254 B8R0.28 CC(=O)CCCN(C)C AC6136 [0,0,0,0,0,2|2,0,0]=4 255 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,0,0,0,0,2|1,0,0]=3 256 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [0,0,0,0,0,2|2,0,0]=4 257 B8R0.28 CC(C)C\C=C\C(N)=O 81121 [0,0,0,0,0,2|2,0,0]=4