0 B6R0.2 CC(=O)C[N+](=O)[O-] 93726 [0,0,0,0,0,0|3,0,1]=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|1,0,1]=2 3 B6R0.2 C[C@H](N)CN(C)C C78207 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.2 C[C@H](N)CN(C)C C78491 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.2 C\C(I)=C\C(=O)O W11497 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 NC(=S)CC(N)=S AT19950 [0,0,0,0,0,0|3,1,0]=4 7 B5R0.1 C=C(C)CCC D91296 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 C=CCC(=C)C T72918 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 C=CC[C@H](C)N AT12969 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 CC#CC(C)=O AC8567 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CC(=O)CCBr D82681 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 CC(C)CNN AR2531 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CCC[C@H](C)N N10856 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CCC[C@H](C)N N15476 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CN(C)CCBr F20843 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CNCC(C)=O 72642 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.1 CONC(C)=O AT24901 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CONC(N)=O AT24902 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 CSC[C@H](C)N AT10784 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 C[C@H](O)CCN D77181 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 C[C@H](O)CCN D77194 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 C[C@H](O)CNN W10671 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 C[C@H](O)CON AT14481 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 C[S@](=O)CCN AT24516 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 C[S@](=O)CCN AT24517 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 C\C=C/C(C)C T72834 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 N#CCC(=O)Cl 79959 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 N=C(N)CCO AT21673 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 NCCC(=O)O T70551 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 NCCC(N)=O AC6190 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 [2H]C(=O)OCC D98566 [1,0,0,0,0,0|3,0,0]=4 32 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.2 C=CC(=O)C=C(C)C F12626 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.2 CC(C)CC(=O)CN F50535 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.2 CC(C)C[C@H](N)C#N AC6684 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.2 CC(C)C[C@H](N)C#N AC7744 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.2 CN(C)\C=C(/Br)C=O AT21684 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.2 COC(=O)CN(C)C F21349 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.2 COC(=O)C[C@H](C)N N13255 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.2 C[C@@H](CN)CN(C)C F12739 [0,1,0,0,0,0|1,0,1]=3 43 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.2 C\C(C=O)=C\N(C)C F13117 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.2 [2H]OC(=O)CN([2H])[2H] D99713 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.9 C=C(Br)C[Si](C)(C)C T71355 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.9 C=C(C)CC(C)(C)C F21333 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.9 CC(=O)CC(C)(C)N F18062 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.9 CC(C)NS(N)(=O)=O AT20303 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.9 C[N+](C)(C)CC(=O)Cl S12388 [0,1,0,0,0,0|1,0,1]=3 53 B7R0.9 NC(=O)CC(F)(F)F C15826 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.9 [2H]C([2H])(C)CC(=O)O D99060 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.16 C=C(C)[C@H](N)C(=O)O N10436 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.16 CC(C)=C(Cl)C(=O)O A50965 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.2 CC1CNC(C)C1 83923 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.2 CN1C=CC(N)=C1 77871 [0,0,0,1,0,0|1,0,2]=4 60 B7R1.2 CN1C=NC(=O)N1 AT21263 [0,0,0,1,0,0|1,0,2]=4 61 B7R1.2 CN1C=NC(N)=C1 F13269 [0,0,0,1,0,0|1,0,2]=4 62 B7R1.2 CN1C=NC(N)=N1 AT12103 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.2 CN1CCC(=O)C1 64219 [0,0,0,1,0,0|1,0,0]=2 64 B7R1.2 CN1CC[C@H](N)C1 56133 [0,0,0,1,0,0|1,0,1]=3 65 B7R1.2 CN1CC[C@H](N)C1 AT11189 [0,0,0,1,0,0|1,0,1]=3 66 B7R1.2 CN1N=CC(N)=N1 F13454 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.2 C[C@H]1CN=C(N)N1 AT25109 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,0,0,1,0,0|2,0,0]=3 71 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.2 O=C1C=C(O)CN1 F14818 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.2 O=C1CNC(=O)S1 C15052 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.2 O=C1C[C@H](S)CN1 39278 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F CS3444 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.12 NC(=O)[C@H]1C[C@@H]1F CS3447 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.20 CC(=O)CC1CC1 N12620 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.20 N=C(N)NC1CC1 W18732 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.20 NC(N)=NC1CC1 D86252 [0,0,0,1,0,0|3,0,0]=4 82 B5R0.5 C=C(C)C(=O)[O-] F14145 [0,0,0,0,1,0|2,0,1]=4 83 B5R0.5 CC(=O)[C@H](C)N 91522 [0,0,0,0,1,0|3,0,0]=4 84 B5R0.5 CC(C)C(=O)O A11457 [0,0,0,0,1,0|2,0,0]=3 85 B5R0.5 CC(C)S(=O)[O-] AT25017 [0,0,0,0,1,0|3,0,0]=4 86 B5R0.5 CC(C)[13C](=O)[O-] D99296 [0,0,0,0,1,0|2,0,0]=3 87 B5R0.5 CC(C)[C@H](C)N A12293 [0,0,0,0,1,0|2,0,1]=4 88 B5R0.5 CC(C)[S@](=O)[O-] C11403 [0,0,0,0,1,0|3,0,0]=4 89 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [0,0,0,0,1,0|3,0,0]=4 90 B5R0.5 C[C@H](F)C(=O)O 36890 [0,0,0,0,1,0|3,0,0]=4 91 B5R0.5 C[C@H](N)C(N)=O FD21067 [0,0,0,0,1,0|2,0,0]=3 92 B5R0.5 C[C@H](O)C(=N)N F21307 [0,0,0,0,1,0|3,0,0]=4 93 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [0,0,0,0,1,0|3,0,0]=4 94 B5R0.5 [2H]C(=O)N(C)C D99052 [0,0,0,0,1,0|1,0,0]=2 95 B5R0.5 [2H]C(=O)N([2H])[2H] D99321 [0,0,0,0,1,0|3,0,0]=4 96 B5R0.5 [2H]N(C)C(C)=O D99692 [0,0,0,0,1,0|2,0,0]=3 97 B7R0.6 CC(=O)NN=C(C)C C12737 [0,0,0,0,0,1|3,0,0]=4 98 B7R0.6 CC(=S)NCC(=O)O D92690 [0,0,0,0,0,1|3,0,0]=4 99 B7R0.6 CC(C)CC[C@H](C)N C11213 [0,0,0,0,0,1|2,0,1]=4 100 B7R0.6 CN(C)\C=C\[N+](=O)[O-] 29758 [0,0,0,0,0,1|2,0,1]=4 101 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [0,0,0,0,0,1|2,0,0]=3 102 B4R0.1 C=C(Br)CN 94099 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.1 C=C(Br)CN AC8267 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.1 C=C=C(C)C T72680 [2,0,0,0,0,0|1,0,1]=4 105 B4R0.1 CC(=O)CN D87844 [2,0,0,0,0,0|1,0,0]=3 106 B4R0.1 CC(C)CN T72053 [2,0,0,0,0,0|1,0,0]=3 107 B4R0.1 CC[13C](=O)O D99417 [2,0,0,0,0,0|1,0,0]=3 108 B4R0.1 CC[C@H](C)N 90231 [2,0,0,0,0,0|1,0,1]=4 109 B4R0.1 CC[C@H](C)N N12286 [2,0,0,0,0,0|1,0,1]=4 110 B4R0.1 CC[C@H](C)N N12342 [2,0,0,0,0,0|1,0,1]=4 111 B4R0.1 N=C(N)CF AT24452 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.1 NCC(N)=O FD21645 [2,0,0,0,0,0|0,0,0]=2 113 B4R0.1 [15NH2]CC(=O)O 41444 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.1 [2H]C(=O)NC D99232 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.1 [2H]C(=O)OC D99666 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 [2H]N([2H])C=O D99055 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.2 CNCCS AT25552 [2,0,0,0,0,0|0,1,1]=4 118 B4R0.2 NCCNO AT14839 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.1 C=CCC(=O)NO C91025 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.1 CNC[C@@H](C)CN T70175 [1,1,0,0,0,0|1,0,1]=4 121 B6R0.1 COCC(=O)CCl D85993 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.1 COCC(=O)OC F53343 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.1 O=C(CCCl)NO AC8818 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.3 CC(=O)[C@@H](Br)C=O 74260 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.3 CC(C)[C@@H](O)CN V10285 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.3 CC(C)[C@H](Br)C=O AT22275 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.3 CC[C@H](S)C(=O)O F11548 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.3 NC(=O)[C@@H](N)CO D75097 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.3 NC(=O)[C@@H](N)CO D75099 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.4 C#CCCN(C)C AC9551 [1,1,0,0,0,0|1,0,1]=4 131 B6R0.4 CC#CCC(=O)O AT21835 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.4 CC(C)CCNN AC3937 [1,1,0,0,0,0|1,0,1]=4 133 B6R0.4 CCNCC(=O)O T72729 [1,1,0,0,0,0|1,0,0]=3 134 B6R0.4 CN(C)CCNN W16036 [1,1,0,0,0,0|0,0,1]=3 135 B6R0.4 CNCCC(N)=O C78256 [1,1,0,0,0,0|0,0,0]=2 136 B6R0.4 COCOC(C)=O D72003 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.4 NC(=O)CCCO AT20755 [1,1,0,0,0,0|1,0,0]=3 138 B6R0.4 NCCCC(=O)O T70552 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.4 NCCCC(N)=O AC5898 [1,1,0,0,0,0|1,0,0]=3 140 B6R0.5 C=CCC(C)(C)N 68260 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.5 CC(C)(C)CON AT14507 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [0,1,0,0,1,0|2,0,0]=4 143 B8R0.9 CC(C)CNC(=O)CN F21149 [0,1,0,0,0,1|1,0,0]=3 144 B8R0.9 NCC(=O)NCC(N)=O AC8959 [0,1,0,0,0,1|2,0,0]=4 145 B8R0.23 CC(=O)N[C@@H](C)C(N)=O FD21101 [0,1,0,0,0,1|2,0,0]=4 146 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [0,1,0,0,0,1|2,0,0]=4 147 B8R0.23 CN(C)C(=O)NC(=N)N C12298 [0,1,0,0,0,1|1,0,1]=4 148 B8R0.23 CN(C)C[C@H](N)C(=O)O 51291 [0,1,0,0,0,1|1,0,0]=3 149 B8R0.23 CN(C)C[C@H](N)C(=O)O D75181 [0,1,0,0,0,1|1,0,0]=3 150 B8R0.29 CC(=O)CSC(C)(C)C F17486 [0,1,0,0,0,1|2,0,0]=4 151 B8R0.29 CC(C)(C)SCC(=O)O AT13960 [0,1,0,0,0,1|2,0,0]=4 152 B8R0.29 CN(C)CCC(C)(C)N Y10201 [0,1,0,0,0,1|1,0,1]=4 153 B8R0.29 CP(C)(=O)CCC(=O)O AT13420 [0,1,0,0,0,1|1,1,0]=4 154 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [0,2,0,0,0,0|2,0,0]=4 155 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [0,2,0,0,0,0|2,0,0]=4 156 B8R0.5 CCCC(=O)CC(C)C T72726 [0,2,0,0,0,0|2,0,0]=4 157 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,2,0,0,0,0|2,0,0]=4 158 B8R0.16 CCN(CC)C[C@H](C)N C78413 [0,2,0,0,0,0|1,0,1]=4 159 B8R0.16 CCN(CC)C[C@H](C)N C78475 [0,2,0,0,0,0|1,0,1]=4 160 B8R0.24 COC(=O)CC(C)(C)N C77552 [0,2,0,0,0,0|2,0,0]=4 161 B8R0.27 [2H]C(C)(C)[C@H](N)C(=O)O D99334 [0,2,0,0,0,0|2,0,0]=4 162 B8R0.18 CO[C@H](C(=O)O)C(C)C 96143 [0,2,0,0,0,0|2,0,0]=4 163 B8R0.18 CO[C@H](C(=O)O)C(C)C AC6556 [0,2,0,0,0,0|2,0,0]=4 164 B8R0.37 CC(C)[C@](C)(N)C(=O)O F12276 [0,2,0,0,0,0|2,0,0]=4 165 B8R0.37 CC(C)[C@](C)(N)C(N)=O C16660 [0,2,0,0,0,0|1,0,0]=3 166 B8R0.37 CN(C)C(C)(C)C(=O)O D75124 [0,2,0,0,0,0|1,0,0]=3 167 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C D98760 [0,2,0,0,0,0|2,0,0]=4 168 B8R0.37 [2H][C@@](N)(C(=O)O)C(C)C D97892 [0,2,0,0,0,0|2,0,0]=4 169 B6R1.2 C[C@H]1CCNC1 71655 [1,0,0,1,0,0|1,0,1]=4 170 B6R1.2 O=C1CCON1 A11072 [1,0,0,1,0,0|2,0,0]=4 171 B6R1.2 O=C1CNCN1 C15062 [1,0,0,1,0,0|0,0,0]=2 172 B6R1.5 C[C@H]1CC(=O)N1 D72859 [1,0,0,1,0,0|1,0,0]=3 173 B6R1.5 NC1CC(=O)C1 D78737 [1,0,0,1,0,0|2,0,0]=4 174 B6R1.9 CC1(C)C[C@@H]1N AT11452 [1,0,0,1,0,0|1,0,1]=4 175 B6R1.11 O=C(O)[C@@H]1CO1 C10184 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,0,0,1,0,1|1,0,0]=3 177 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,0,0,1,0,1|1,0,0]=3 178 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,0,0,1,0,1|2,0,0]=4 179 B8R1.3 O=C1COC(=O)CN1 P10244 [0,0,0,1,0,1|2,0,0]=4 180 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [0,0,0,1,0,1|2,0,0]=4 181 B8R1.35 NC(=S)NCC1CC1 AT24985 [0,0,0,1,0,1|1,1,0]=4 182 B8R1.35 O=C(Cl)OCC1CC1 C77515 [0,0,0,1,0,1|2,0,0]=4 183 B8R1.51 CC1(C)CC(=O)CO1 P20320 [0,0,0,1,0,1|2,0,0]=4 184 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,0,0,1,0,1|2,0,0]=4 185 B8R1.1 CCN1CC[C@H](N)C1 P11185 [0,1,0,1,0,0|1,0,1]=4 186 B8R1.1 CCN1CC[C@H](N)C1 P12169 [0,1,0,1,0,0|1,0,1]=4 187 B8R1.1 CCN1CC[C@H](N)C1 P12170 [0,1,0,1,0,0|1,0,1]=4 188 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.1 CN1CC[C@H](ON)C1 97658 [0,1,0,1,0,0|1,0,1]=4 191 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.1 NC[C@H]1CNC(=O)O1 P12528 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.4 CN1CCC=C(Br)C1 S11379 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.4 CN1CCCC(=O)C1 C14007 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.4 CN1CCC[C@H](N)C1 F13063 [0,1,0,1,0,0|1,0,1]=4 198 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.4 C[C@H]1CN(C)CCN1 C14012 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.4 C[C@H]1CN(C)CCN1 F12388 [0,1,0,1,0,0|1,0,1]=4 202 B8R1.4 C[C@H]1CN(C)CCN1 P11099 [0,1,0,1,0,0|1,0,1]=4 203 B8R1.4 C[C@H]1CN(C)CCN1 S10064 [0,1,0,1,0,0|1,0,1]=4 204 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,1,0,1,0,0|2,0,0]=4 205 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.18 CC1=C(C)OC(=O)N1 AT18454 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.18 CC1=CC(=O)NN1C AT14000 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.18 CC1=NC(N)=NN1C AT12440 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.18 CC1CC(=O)OC1C AC8330 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.18 CC1CC(=O)OC1O S10278 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.18 CC1NC(=O)CC1O 94943 [0,1,0,1,0,0|2,0,0]=4 212 B8R1.18 CN1C[C@@H](I)CC1=O D79270 [0,1,0,1,0,0|2,0,0]=4 213 B8R1.18 CN1C[C@@H](N)CC1=O AT19106 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.18 CN1NC(=O)NC1=O AT21268 [0,1,0,1,0,0|1,0,1]=4 215 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.34 NC(=O)NC1CNC1 AT23009 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.34 NC(=O)OC1CNC1 AT23010 [0,1,0,1,0,0|2,0,0]=4 219 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.34 O=C(O)CC1CNC1 A50755 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.34 O=C(O)CC1CNC1 P10897 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.43 CCC1CC1C(=O)O AT12378 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.62 CN1CC(O)(CN)C1 P21104 [0,1,0,1,0,0|0,0,2]=4 224 B8R1.62 C[C@]1(CCl)CC(=O)N1 AT19217 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.50 CC1C(=O)NCC1O 94942 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.54 N[C@H](C(=O)O)C1CC1 59338 [0,1,0,1,0,0|2,0,0]=4 227 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,2,0,0|2,0,0]=4 228 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,0,0,2,0,0|1,0,0]=3 229 B8R0.28 CC(=O)CCCN(C)C AC6136 [0,0,0,0,0,2|1,0,0]=3 230 B8R0.28 CC(C)=CCNC(=N)N 42806 [0,0,0,0,0,2|2,0,0]=4 231 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,0,0,0,0,2|2,0,0]=4 232 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [0,0,0,0,0,2|2,0,0]=4 233 B8R0.28 CC(C)C\C=C\C(N)=O 81121 [0,0,0,0,0,2|1,0,0]=3 234 B8R0.28 CN(C)CCCC(=O)O A11102 [0,0,0,0,0,2|1,0,0]=3 235 B8R0.28 CN(C)CCNC(N)=S AT25002 [0,0,0,0,0,2|0,1,0]=3 236 B8R0.28 CN(C)C\C=C\C(N)=O D73436 [0,0,0,0,0,2|0,0,0]=2